diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml index c95a73f0..5a0d4e88 100644 --- a/.github/workflows/test.yml +++ b/.github/workflows/test.yml @@ -53,7 +53,7 @@ jobs: cd test; bash run_make_mat.sh; cd .. build-macos-conda: - runs-on: macos-13 + runs-on: macos-14 steps: - uses: actions/checkout@v4 diff --git a/src/multiego/resources/type_definitions.py b/src/multiego/resources/type_definitions.py index a9f5818a..49ccb42d 100644 --- a/src/multiego/resources/type_definitions.py +++ b/src/multiego/resources/type_definitions.py @@ -46,55 +46,55 @@ ], "at.num": [8, 8, 8, 7, 7, 7, 7, 7, 7, 6, 6, 6, 6, 6, 6, 6, 6, 16, 6, 15, 8, 6, 1, 20], "rc_c12": [ - 2.631580e-07, # "O", - 1.724403e-07, # "OM", - 5.018430e-07, # "OA", - 8.752940e-07, # "N", - 2.596154e-06, # "NT", - 8.752940e-07, # "NL", - 1.506347e-06, # "NR", - 8.752940e-07, # "NZ", - 8.752940e-07, # "NE", - 2.598570e-06, # "C", - 2.598570e-06, # "CH" - 6.555574e-05, # "CH1" - 6.555574e-05, # "CAH" - 1.543890e-05, # "CH2" - 1.543890e-05, # "CAH2" - 8.595562e-06, # "CH3" - 1.193966e-05, # "CH2r" - 2.724050e-06, # "S", - 8.736473e-06, # "CH3p" - 3.893600e-06, # "P", - 3.558824e-07, # "OE", - 6.298560e-06, # "CR1", - 9.148590e-10, # "H", - 2.659360e-07, # "C0", + 2.5 * 0.262134**12, # "O", 2.631580e-07 + 2.5 * 0.253061**12, # "OM", 1.724403e-07 + 2.5 * 0.276621**12, # "OA", 5.018430e-07 + 2.5 * 0.289746**12, # "N", 8.752940e-07 + 2.5 * 0.317224**12, # "NT", 2.596154e-06 + 2.5 * 0.289746**12, # "NL", 8.752940e-07 + 2.5 * 0.303155**12, # "NR", 1.506347e-06 + 2.5 * 0.289746**12, # "NZ", 8.752940e-07 + 2.5 * 0.289746**12, # "NE", 8.752940e-07 + 2.5 * 0.317248**12, # "C", 2.598570e-06 + 2.5 * 0.317248**12, # "CH", 2.598570e-06 + 2.5 * 0.415167**12, # "CH1", 6.555574e-05 + 2.5 * 0.415167**12, # "CAH", 6.555574e-05 + 2.5 * 0.368035**12, # "CH2", 1.543890e-05 + 2.5 * 0.368035**12, # "CAH2",1.543890e-05 + 2.5 * 0.350505**12, # "CH3", 8.595562e-06 + 2.5 * 0.360236**12, # "CH2r",1.193966e-05 + 2.5 * 0.318498**12, # "S", 2.724050e-06 + 2.5 * 0.350981**12, # "CH3p",8.736473e-06 + 2.5 * 0.328121**12, # "P", 3.893600e-06 + 2.5 * 0.268811**12, # "OE", 3.558824e-07 + 2.5 * 0.341540**12, # "CR1", 6.298560e-06 + 2.5 * 0.163538**12, # "H", 9.148590e-10 + 2.5 * 0.262363**12, # "C0", 2.659360e-07 ], # all to ch2 except ch e ch3 "mg_c12": [ - 4.0 * 0.27601**12 * mg_eps_pol, # "O", sig=0.27601 + 4.0 * 0.27601**12 * mg_eps_pol, # "O", sig=0.27601 4.0 * 0.26259**12 * mg_eps_pol, # "OM", sig=0.26259 4.0 * 0.29548**12 * mg_eps_pol, # "OA", sig=0.29548 - 4.0 * 0.31365**12 * mg_eps_pol, # "N", sig=0.31365 + 4.0 * 0.31365**12 * mg_eps_pol, # "N", sig=0.31365 4.0 * 0.35722**12 * mg_eps_pol, # "NT", sig=0.35722 4.0 * 0.31365**12 * mg_eps_pol, # "NL", sig=0.31365 4.0 * 0.33411**12 * mg_eps_pol, # "NR", sig=0.33411 4.0 * 0.31365**12 * mg_eps_pol, # "NZ", sig=0.31365 4.0 * 0.31365**12 * mg_eps_pol, # "NE", sig=0.31365 - 4.0 * 0.35812**12 * mg_eps_pol, # "C", sig=0.35812 + 4.0 * 0.35812**12 * mg_eps_pol, # "C", sig=0.35812 4.0 * 0.35812**12 * mg_eps_ch_aromatic, # "CH", sig=0.35812 - 4.0 * 0.50192**12 * mg_eps_ch1, # "CH1", sig=0.50192 - 4.0 * 0.50192**12 * mg_eps_ch1, # "CAH", sig=0.50192 - 4.0 * 0.40704**12 * mg_eps_ch2, # "CH2", sig=0.40704 + 4.0 * 0.50192**12 * mg_eps_ch1, # "CH1", sig=0.50192 + 4.0 * 0.50192**12 * mg_eps_ch1, # "CAH", sig=0.50192 + 4.0 * 0.40704**12 * mg_eps_ch2, # "CH2", sig=0.40704 4.0 * 0.40704**12 * mg_eps_ch2, # "CAH2", sig=0.40704 - 4.0 * 0.37479**12 * mg_eps_ch3, # "CH3", sig=0.37479 + 4.0 * 0.37479**12 * mg_eps_ch3, # "CH3", sig=0.37479 4.0 * 0.39547**12 * mg_eps_ch2, # "CH2r", sig=0.39547 - 4.0 * 0.33077**12 * mg_eps_pol, # "S", sig=0.33077 + 4.0 * 0.33077**12 * mg_eps_pol, # "S", sig=0.33077 4.0 * 0.37479**12 * mg_eps_ch3, # "CH3p", sig=0.37479 - 4.0 * 0.33856**12 * mg_eps_pol, # "P", sig=0.33856 - 4.0 * 0.28492**12 * mg_eps_pol, # "OE", sig=0.28492 - 4.0 * 0.37412**12 * mg_eps_pol, # "CR1", sig=0.37412 + 4.0 * 0.33856**12 * mg_eps_pol, # "P", sig=0.33856 + 4.0 * 0.28492**12 * mg_eps_pol, # "OE", sig=0.28492 + 4.0 * 0.37412**12 * mg_eps_pol, # "CR1", sig=0.37412 4.0 * 0.000000000 * mg_eps_pol, # "H", 4.0 * 0.000000000 * mg_eps_pol, # "C0", ], diff --git a/test/test_outputs/abetaref/case_1/ffnonbonded.itp b/test/test_outputs/abetaref/case_1/ffnonbonded.itp index b98b4d79..f6820fff 100644 --- a/test/test_outputs/abetaref/case_1/ffnonbonded.itp +++ b/test/test_outputs/abetaref/case_1/ffnonbonded.itp @@ -370,38 +370,38 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 [ nonbond_params ] ; ai aj type c6 c12 ; sigma epsilon probability rc_probability md_threshold rc_threshold same_chain source bond_distance number_ai number_aj N_AB42_1 N_AB42_1 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 1 - N_AB42_1 CB_AB42_1 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 3 - N_AB42_1 OD1_AB42_1 1 0.000000e+00 4.897425e-07 ; 2.654559e-01 -4.897425e-07 5.826296e-01 8.432126e-01 0.000485 0.000060 True native_MD 4 1 5 - N_AB42_1 OD2_AB42_1 1 0.000000e+00 4.897425e-07 ; 2.654559e-01 -4.897425e-07 5.826296e-01 8.432126e-01 0.000485 0.000060 True native_MD 4 1 6 - N_AB42_1 CA_AB42_2 1 0.000000e+00 7.574732e-06 ; 3.335101e-01 -7.574732e-06 1.000000e+00 9.999653e-01 0.000485 0.000060 True native_MD 4 1 11 - N_AB42_1 CB_AB42_2 1 0.000000e+00 2.801097e-06 ; 3.069769e-01 -2.801097e-06 1.060445e-02 3.181204e-02 0.000485 0.000060 True native_MD 5 1 12 + N_AB42_1 CB_AB42_1 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 3 + N_AB42_1 OD1_AB42_1 1 0.000000e+00 4.897421e-07 ; 2.654558e-01 -4.897421e-07 5.826296e-01 8.432126e-01 0.000485 0.000060 True native_MD 4 1 5 + N_AB42_1 OD2_AB42_1 1 0.000000e+00 4.897421e-07 ; 2.654558e-01 -4.897421e-07 5.826296e-01 8.432126e-01 0.000485 0.000060 True native_MD 4 1 6 + N_AB42_1 CA_AB42_2 1 0.000000e+00 7.574720e-06 ; 3.335100e-01 -7.574720e-06 1.000000e+00 9.999653e-01 0.000485 0.000060 True native_MD 4 1 11 + N_AB42_1 CB_AB42_2 1 0.000000e+00 2.801071e-06 ; 3.069766e-01 -2.801071e-06 1.060445e-02 3.181204e-02 0.000485 0.000060 True native_MD 5 1 12 N_AB42_1 C_AB42_2 1 1.328621e-03 6.135800e-06 ; 4.080797e-01 7.192353e-02 2.297547e-02 2.669920e-03 0.000485 0.000060 True native_MD 5 1 13 N_AB42_1 O_AB42_2 1 8.300228e-04 1.828420e-06 ; 3.607151e-01 9.419853e-02 1.211543e-02 7.228896e-04 0.000485 0.000060 True native_MD 6 1 14 - N_AB42_1 N_AB42_3 1 0.000000e+00 8.553763e-07 ; 2.780832e-01 -8.553763e-07 3.673054e-02 1.397509e-02 0.000485 0.000060 True native_MD 6 1 15 + N_AB42_1 N_AB42_3 1 0.000000e+00 8.553673e-07 ; 2.780830e-01 -8.553673e-07 3.673054e-02 1.397509e-02 0.000485 0.000060 True native_MD 6 1 15 N_AB42_1 CA_AB42_3 1 4.625895e-03 4.037573e-05 ; 4.537543e-01 1.324986e-01 3.529706e-02 1.500866e-02 0.000485 0.001339 True native_MD 7 1 17 - N_AB42_1 CB_AB42_3 1 0.000000e+00 3.679357e-06 ; 3.140335e-01 -3.679357e-06 1.396213e-02 1.485318e-02 0.000485 0.000060 True native_MD 7 1 18 - N_AB42_1 CG_AB42_3 1 0.000000e+00 3.327205e-06 ; 3.114117e-01 -3.327205e-06 1.253325e-01 3.042794e-02 0.000485 0.000060 True native_MD 7 1 19 + N_AB42_1 CB_AB42_3 1 0.000000e+00 3.679309e-06 ; 3.140332e-01 -3.679309e-06 1.396213e-02 1.485318e-02 0.000485 0.000060 True native_MD 7 1 18 + N_AB42_1 CG_AB42_3 1 0.000000e+00 3.327161e-06 ; 3.114114e-01 -3.327161e-06 1.253325e-01 3.042794e-02 0.000485 0.000060 True native_MD 7 1 19 N_AB42_1 CD_AB42_3 1 4.628622e-04 2.763633e-07 ; 2.901826e-01 1.938042e-01 1.174659e-01 1.290282e-02 0.000485 0.002166 True native_MD 7 1 20 N_AB42_1 OE1_AB42_3 1 1.561344e-04 2.801464e-08 ; 2.374913e-01 2.175464e-01 1.053195e-01 5.684936e-03 0.000485 0.002166 True native_MD 7 1 21 N_AB42_1 OE2_AB42_3 1 1.561344e-04 2.801464e-08 ; 2.374913e-01 2.175464e-01 1.053195e-01 5.684936e-03 0.000485 0.002166 True native_MD 7 1 22 N_AB42_1 C_AB42_3 1 1.014253e-03 2.091031e-06 ; 3.567542e-01 1.229906e-01 2.368928e-03 8.201963e-04 0.000485 0.002166 True native_MD 7 1 23 N_AB42_1 O_AB42_3 1 1.736913e-04 4.930849e-08 ; 2.563641e-01 1.529589e-01 6.790427e-03 2.532413e-03 0.000485 0.002166 True native_MD 7 1 24 - N_AB42_1 N_AB42_4 1 0.000000e+00 8.733121e-07 ; 2.785645e-01 -8.733121e-07 5.336475e-03 3.072231e-03 0.000485 0.000060 True native_MD 7 1 25 + N_AB42_1 N_AB42_4 1 0.000000e+00 8.733030e-07 ; 2.785643e-01 -8.733030e-07 5.336475e-03 3.072231e-03 0.000485 0.000060 True native_MD 7 1 25 N_AB42_1 CA_AB42_4 1 2.315667e-03 1.399576e-05 ; 4.267957e-01 9.578464e-02 2.306191e-02 2.942099e-02 0.000485 0.001339 True native_MD 7 1 27 - N_AB42_1 CB_AB42_4 1 0.000000e+00 3.828724e-06 ; 3.150766e-01 -3.828724e-06 1.406971e-02 5.559280e-02 0.000485 0.000060 True native_MD 7 1 28 - N_AB42_1 CG_AB42_4 1 0.000000e+00 1.539377e-06 ; 2.920387e-01 -1.539377e-06 1.209026e-03 2.191536e-02 0.000485 0.003309 True native_MD 7 1 29 - N_AB42_1 CD1_AB42_4 1 0.000000e+00 1.555362e-06 ; 2.922902e-01 -1.555362e-06 3.740835e-03 3.504614e-02 0.000485 0.003309 True native_MD 7 1 30 - N_AB42_1 CD2_AB42_4 1 0.000000e+00 1.555362e-06 ; 2.922902e-01 -1.555362e-06 3.740835e-03 3.504614e-02 0.000485 0.003309 True native_MD 7 1 31 + N_AB42_1 CB_AB42_4 1 0.000000e+00 3.828674e-06 ; 3.150763e-01 -3.828674e-06 1.406971e-02 5.559280e-02 0.000485 0.000060 True native_MD 7 1 28 + N_AB42_1 CG_AB42_4 1 0.000000e+00 1.539355e-06 ; 2.920384e-01 -1.539355e-06 1.209026e-03 2.191536e-02 0.000485 0.003309 True native_MD 7 1 29 + N_AB42_1 CD1_AB42_4 1 0.000000e+00 1.555340e-06 ; 2.922899e-01 -1.555340e-06 3.740835e-03 3.504614e-02 0.000485 0.003309 True native_MD 7 1 30 + N_AB42_1 CD2_AB42_4 1 0.000000e+00 1.555340e-06 ; 2.922899e-01 -1.555340e-06 3.740835e-03 3.504614e-02 0.000485 0.003309 True native_MD 7 1 31 N_AB42_1 CE1_AB42_4 1 1.824445e-04 1.137199e-07 ; 2.922700e-01 7.317543e-02 5.226554e-03 3.242234e-02 0.000485 0.003309 True native_MD 7 1 32 N_AB42_1 CE2_AB42_4 1 1.824445e-04 1.137199e-07 ; 2.922700e-01 7.317543e-02 5.226554e-03 3.242234e-02 0.000485 0.003309 True native_MD 7 1 33 N_AB42_1 CZ_AB42_4 1 2.906534e-04 2.379922e-07 ; 3.058660e-01 8.874174e-02 6.537528e-03 2.545261e-02 0.000485 0.003309 True native_MD 7 1 34 N_AB42_1 C_AB42_4 1 9.794333e-04 1.679594e-06 ; 3.459698e-01 1.427860e-01 1.102462e-02 5.574470e-03 0.000485 0.002166 True native_MD 7 1 35 N_AB42_1 O_AB42_4 1 9.507846e-05 1.871764e-08 ; 2.411912e-01 1.207405e-01 1.166225e-02 1.140646e-02 0.000485 0.002166 True native_MD 7 1 36 - N_AB42_1 N_AB42_5 1 0.000000e+00 8.739097e-07 ; 2.785804e-01 -8.739097e-07 2.686645e-03 1.105067e-03 0.000485 0.000060 True native_MD 7 1 37 + N_AB42_1 N_AB42_5 1 0.000000e+00 8.739005e-07 ; 2.785801e-01 -8.739005e-07 2.686645e-03 1.105067e-03 0.000485 0.000060 True native_MD 7 1 37 N_AB42_1 CA_AB42_5 1 1.931083e-03 8.183349e-06 ; 4.022737e-01 1.139229e-01 1.360328e-02 1.008484e-02 0.000485 0.001339 True native_MD 7 1 39 - N_AB42_1 CB_AB42_5 1 0.000000e+00 3.691982e-06 ; 3.141232e-01 -3.691982e-06 2.926721e-03 7.252173e-03 0.000485 0.000060 True native_MD 7 1 40 - N_AB42_1 CG_AB42_5 1 0.000000e+00 3.714410e-06 ; 3.142817e-01 -3.714410e-06 3.815076e-03 1.424146e-02 0.000485 0.000060 True native_MD 7 1 41 - N_AB42_1 CD_AB42_5 1 0.000000e+00 3.708861e-06 ; 3.142426e-01 -3.708861e-06 5.075607e-03 1.399254e-02 0.000485 0.000060 True native_MD 7 1 42 + N_AB42_1 CB_AB42_5 1 0.000000e+00 3.691934e-06 ; 3.141228e-01 -3.691934e-06 2.926721e-03 7.252173e-03 0.000485 0.000060 True native_MD 7 1 40 + N_AB42_1 CG_AB42_5 1 0.000000e+00 3.714361e-06 ; 3.142814e-01 -3.714361e-06 3.815076e-03 1.424146e-02 0.000485 0.000060 True native_MD 7 1 41 + N_AB42_1 CD_AB42_5 1 0.000000e+00 3.708812e-06 ; 3.142422e-01 -3.708812e-06 5.075607e-03 1.399254e-02 0.000485 0.000060 True native_MD 7 1 42 N_AB42_1 NE_AB42_5 1 5.656499e-04 7.814792e-07 ; 3.337298e-01 1.023571e-01 2.815827e-03 4.774110e-03 0.000485 0.002166 True native_MD 7 1 43 N_AB42_1 CZ_AB42_5 1 1.364271e-03 3.586995e-06 ; 3.715110e-01 1.297211e-01 4.975424e-03 3.719374e-03 0.000485 0.002166 True native_MD 7 1 44 N_AB42_1 NH1_AB42_5 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 45 @@ -410,7 +410,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_1 O_AB42_5 1 1.211868e-04 2.609651e-08 ; 2.448243e-01 1.406915e-01 4.023502e-03 1.020523e-03 0.000485 0.002166 True native_MD 7 1 48 N_AB42_1 N_AB42_6 1 6.114853e-04 1.242810e-06 ; 3.559069e-01 7.521553e-02 5.983505e-03 6.300928e-04 0.000485 0.000060 True native_MD 7 1 49 N_AB42_1 CA_AB42_6 1 1.262915e-03 2.611107e-06 ; 3.569234e-01 1.527088e-01 1.335862e-02 3.102414e-03 0.000485 0.001339 True native_MD 7 1 51 - N_AB42_1 CB_AB42_6 1 0.000000e+00 3.660179e-06 ; 3.138968e-01 -3.660179e-06 8.961039e-03 4.635014e-03 0.000485 0.000060 True native_MD 7 1 52 + N_AB42_1 CB_AB42_6 1 0.000000e+00 3.660131e-06 ; 3.138964e-01 -3.660131e-06 8.961039e-03 4.635014e-03 0.000485 0.000060 True native_MD 7 1 52 N_AB42_1 CG_AB42_6 1 7.599883e-04 9.878375e-07 ; 3.303542e-01 1.461734e-01 7.225333e-03 3.301207e-03 0.000485 0.002166 True native_MD 7 1 53 N_AB42_1 ND1_AB42_6 1 1.383913e-04 3.762342e-08 ; 2.545217e-01 1.272622e-01 7.392845e-03 5.948627e-03 0.000485 0.002166 True native_MD 7 1 54 N_AB42_1 CD2_AB42_6 1 5.067220e-04 5.380558e-07 ; 3.194059e-01 1.193032e-01 4.026341e-03 6.281048e-03 0.000485 0.003309 True native_MD 7 1 55 @@ -420,24 +420,24 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_1 O_AB42_6 1 9.061979e-05 1.847906e-08 ; 2.426104e-01 1.110980e-01 1.659538e-03 1.777145e-03 0.000485 0.002166 True native_MD 7 1 59 N_AB42_1 N_AB42_7 1 6.347517e-04 1.353114e-06 ; 3.587471e-01 7.444123e-02 3.005214e-03 3.238826e-04 0.000485 0.000060 True native_MD 7 1 60 N_AB42_1 CA_AB42_7 1 2.130529e-03 9.300137e-06 ; 4.042658e-01 1.220185e-01 9.310286e-03 5.417174e-03 0.000485 0.001339 True native_MD 7 1 62 - N_AB42_1 CB_AB42_7 1 0.000000e+00 3.658320e-06 ; 3.138835e-01 -3.658320e-06 1.234607e-02 7.514321e-03 0.000485 0.000060 True native_MD 7 1 63 + N_AB42_1 CB_AB42_7 1 0.000000e+00 3.658272e-06 ; 3.138831e-01 -3.658272e-06 1.234607e-02 7.514321e-03 0.000485 0.000060 True native_MD 7 1 63 N_AB42_1 CG_AB42_7 1 3.404511e-04 2.036532e-07 ; 2.902726e-01 1.422848e-01 1.249434e-02 6.413090e-03 0.000485 0.002166 True native_MD 7 1 64 N_AB42_1 OD1_AB42_7 1 1.019983e-04 1.758648e-08 ; 2.359198e-01 1.478927e-01 1.065639e-02 4.624807e-03 0.000485 0.002166 True native_MD 7 1 65 N_AB42_1 OD2_AB42_7 1 1.019983e-04 1.758648e-08 ; 2.359198e-01 1.478927e-01 1.065639e-02 4.624807e-03 0.000485 0.002166 True native_MD 7 1 66 N_AB42_1 C_AB42_7 1 8.648866e-04 1.538378e-06 ; 3.480839e-01 1.215613e-01 2.269735e-03 1.441257e-03 0.000485 0.002166 True native_MD 7 1 67 N_AB42_1 O_AB42_7 1 8.323318e-05 1.760040e-08 ; 2.440831e-01 9.840346e-02 1.135012e-03 1.940698e-03 0.000485 0.002166 True native_MD 7 1 68 - N_AB42_1 N_AB42_8 1 0.000000e+00 8.742024e-07 ; 2.785882e-01 -8.742024e-07 1.807811e-03 5.607255e-04 0.000485 0.000060 True native_MD 7 1 69 + N_AB42_1 N_AB42_8 1 0.000000e+00 8.741933e-07 ; 2.785879e-01 -8.741933e-07 1.807811e-03 5.607255e-04 0.000485 0.000060 True native_MD 7 1 69 N_AB42_1 CA_AB42_8 1 8.196136e-04 1.750027e-06 ; 3.588442e-01 9.596516e-02 3.964821e-03 5.030828e-03 0.000485 0.001339 True native_MD 7 1 71 - N_AB42_1 CB_AB42_8 1 0.000000e+00 3.683251e-06 ; 3.140612e-01 -3.683251e-06 3.616867e-03 5.567102e-03 0.000485 0.000060 True native_MD 7 1 72 + N_AB42_1 CB_AB42_8 1 0.000000e+00 3.683202e-06 ; 3.140608e-01 -3.683202e-06 3.616867e-03 5.567102e-03 0.000485 0.000060 True native_MD 7 1 72 N_AB42_1 OG_AB42_8 1 1.066086e-04 2.664085e-08 ; 2.509724e-01 1.066538e-01 2.664041e-03 3.971809e-03 0.000485 0.002166 True native_MD 7 1 73 N_AB42_1 C_AB42_8 1 3.859963e-04 4.604289e-07 ; 3.256591e-01 8.089909e-02 6.722055e-04 1.628951e-03 0.000485 0.002166 True native_MD 7 1 74 - N_AB42_1 N_AB42_9 1 0.000000e+00 8.755969e-07 ; 2.786252e-01 -8.755969e-07 5.927882e-04 9.388620e-04 0.000485 0.000060 True native_MD 7 1 76 + N_AB42_1 N_AB42_9 1 0.000000e+00 8.755877e-07 ; 2.786249e-01 -8.755877e-07 5.927882e-04 9.388620e-04 0.000485 0.000060 True native_MD 7 1 76 N_AB42_1 CA_AB42_9 1 1.057591e-03 3.283541e-06 ; 3.819479e-01 8.515953e-02 1.687614e-03 3.500465e-03 0.000485 0.001584 True native_MD 7 1 78 N_AB42_1 C_AB42_9 1 5.156177e-04 7.415858e-07 ; 3.359739e-01 8.962605e-02 8.728175e-04 1.166739e-03 0.000485 0.002166 True native_MD 7 1 79 N_AB42_1 O_AB42_9 1 6.245762e-05 1.085532e-08 ; 2.362343e-01 8.983965e-02 8.784145e-04 1.443486e-03 0.000485 0.002166 True native_MD 7 1 80 N_AB42_1 N_AB42_10 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.789346e-04 1.248104e-04 0.000485 0.000060 True native_MD 7 1 81 N_AB42_1 CA_AB42_10 1 1.746756e-03 7.204978e-06 ; 4.004670e-01 1.058698e-01 1.419180e-03 1.036676e-03 0.000485 0.001339 True native_MD 7 1 83 - N_AB42_1 CB_AB42_10 1 0.000000e+00 3.677856e-06 ; 3.140228e-01 -3.677856e-06 7.855900e-04 1.268285e-03 0.000485 0.000060 True native_MD 7 1 84 + N_AB42_1 CB_AB42_10 1 0.000000e+00 3.677808e-06 ; 3.140225e-01 -3.677808e-06 7.855900e-04 1.268285e-03 0.000485 0.000060 True native_MD 7 1 84 N_AB42_1 CD1_AB42_10 1 9.231750e-04 2.705825e-06 ; 3.782996e-01 7.874236e-02 6.301902e-04 1.901830e-03 0.000485 0.003309 True native_MD 7 1 86 N_AB42_1 CD2_AB42_10 1 9.231750e-04 2.705825e-06 ; 3.782996e-01 7.874236e-02 6.301902e-04 1.901830e-03 0.000485 0.003309 True native_MD 7 1 87 N_AB42_1 CE1_AB42_10 1 6.664889e-04 1.092316e-06 ; 3.433675e-01 1.016665e-01 1.251436e-03 3.045139e-03 0.000485 0.003309 True native_MD 7 1 88 @@ -448,7 +448,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_1 O_AB42_10 1 5.875491e-05 1.163155e-08 ; 2.414157e-01 7.419776e-02 5.500561e-04 4.248949e-04 0.000485 0.002166 True native_MD 7 1 93 N_AB42_1 N_AB42_11 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.815422e-04 2.401382e-05 0.000485 0.000060 True native_MD 7 1 94 N_AB42_1 CA_AB42_11 1 1.930500e-03 7.867593e-06 ; 3.996643e-01 1.184235e-01 2.066301e-03 8.453228e-04 0.000485 0.001339 True native_MD 7 1 96 - N_AB42_1 CB_AB42_11 1 0.000000e+00 3.663810e-06 ; 3.139227e-01 -3.663810e-06 4.242301e-03 9.041818e-04 0.000485 0.000060 True native_MD 7 1 97 + N_AB42_1 CB_AB42_11 1 0.000000e+00 3.663762e-06 ; 3.139224e-01 -3.663762e-06 4.242301e-03 9.041818e-04 0.000485 0.000060 True native_MD 7 1 97 N_AB42_1 CG_AB42_11 1 5.602217e-04 1.085473e-06 ; 3.530828e-01 7.228378e-02 1.506253e-02 1.731609e-03 0.000485 0.000060 True native_MD 7 1 98 N_AB42_1 CD_AB42_11 1 4.241990e-04 2.424697e-07 ; 2.880810e-01 1.855333e-01 1.539565e-02 1.626260e-03 0.000485 0.002166 True native_MD 7 1 99 N_AB42_1 OE1_AB42_11 1 1.298988e-04 2.333142e-08 ; 2.375323e-01 1.808044e-01 1.336403e-02 1.091917e-03 0.000485 0.002166 True native_MD 7 1 100 @@ -457,14 +457,14 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_1 O_AB42_11 1 9.289948e-05 2.341201e-08 ; 2.513261e-01 9.215690e-02 9.414905e-04 3.601211e-04 0.000485 0.002166 True native_MD 7 1 103 N_AB42_1 N_AB42_12 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.954330e-04 9.984890e-05 0.000485 0.000060 True native_MD 7 1 104 N_AB42_1 CA_AB42_12 1 2.497466e-03 1.265192e-05 ; 4.144220e-01 1.232488e-01 2.387298e-03 5.549256e-04 0.000485 0.001339 True native_MD 7 1 106 - N_AB42_1 CB_AB42_12 1 0.000000e+00 7.572707e-06 ; 3.335026e-01 -7.572707e-06 1.786948e-03 1.484906e-03 0.000485 0.000060 True native_MD 7 1 107 - N_AB42_1 CG1_AB42_12 1 0.000000e+00 2.743874e-06 ; 3.064493e-01 -2.743874e-06 9.382302e-04 1.283701e-03 0.000485 0.000060 True native_MD 7 1 108 - N_AB42_1 CG2_AB42_12 1 0.000000e+00 2.743109e-06 ; 3.064422e-01 -2.743109e-06 1.389219e-03 1.455964e-03 0.000485 0.000060 True native_MD 7 1 109 + N_AB42_1 CB_AB42_12 1 0.000000e+00 7.572695e-06 ; 3.335026e-01 -7.572695e-06 1.786948e-03 1.484906e-03 0.000485 0.000060 True native_MD 7 1 107 + N_AB42_1 CG1_AB42_12 1 0.000000e+00 2.743848e-06 ; 3.064491e-01 -2.743848e-06 9.382302e-04 1.283701e-03 0.000485 0.000060 True native_MD 7 1 108 + N_AB42_1 CG2_AB42_12 1 0.000000e+00 2.743083e-06 ; 3.064420e-01 -2.743083e-06 1.389219e-03 1.455964e-03 0.000485 0.000060 True native_MD 7 1 109 N_AB42_1 C_AB42_12 1 6.869576e-04 1.048217e-06 ; 3.393023e-01 1.125509e-01 1.733283e-03 1.768012e-04 0.000485 0.002166 True native_MD 7 1 110 N_AB42_1 O_AB42_12 1 8.268869e-05 1.526094e-08 ; 2.386103e-01 1.120085e-01 1.705379e-03 2.815885e-04 0.000485 0.002166 True native_MD 7 1 111 - N_AB42_1 N_AB42_13 1 0.000000e+00 8.748906e-07 ; 2.786064e-01 -8.748906e-07 6.386820e-04 1.778159e-04 0.000485 0.000060 True native_MD 7 1 112 + N_AB42_1 N_AB42_13 1 0.000000e+00 8.748814e-07 ; 2.786062e-01 -8.748814e-07 6.386820e-04 1.778159e-04 0.000485 0.000060 True native_MD 7 1 112 N_AB42_1 CA_AB42_13 1 2.947407e-03 1.429111e-05 ; 4.114063e-01 1.519687e-01 5.638588e-03 1.142707e-03 0.000485 0.001339 True native_MD 7 1 114 - N_AB42_1 CB_AB42_13 1 0.000000e+00 3.670478e-06 ; 3.139703e-01 -3.670478e-06 3.286556e-03 1.762194e-03 0.000485 0.000060 True native_MD 7 1 115 + N_AB42_1 CB_AB42_13 1 0.000000e+00 3.670430e-06 ; 3.139699e-01 -3.670430e-06 3.286556e-03 1.762194e-03 0.000485 0.000060 True native_MD 7 1 115 N_AB42_1 CG_AB42_13 1 8.021809e-04 1.360882e-06 ; 3.453489e-01 1.182127e-01 2.053309e-03 1.395044e-03 0.000485 0.002166 True native_MD 7 1 116 N_AB42_1 ND1_AB42_13 1 1.614501e-04 5.278288e-08 ; 2.624677e-01 1.234592e-01 2.402376e-03 1.993546e-03 0.000485 0.002166 True native_MD 7 1 117 N_AB42_1 CD2_AB42_13 1 8.183634e-04 1.696653e-06 ; 3.570874e-01 9.868234e-02 1.144524e-03 1.744722e-03 0.000485 0.003309 True native_MD 7 1 118 @@ -474,7 +474,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_1 O_AB42_13 1 1.000985e-04 1.855118e-08 ; 2.387760e-01 1.350279e-01 3.396223e-03 5.868997e-04 0.000485 0.002166 True native_MD 7 1 122 N_AB42_1 N_AB42_14 1 9.000180e-04 2.769655e-06 ; 3.813839e-01 7.311673e-02 1.365709e-03 1.531385e-04 0.000485 0.000060 True native_MD 7 1 123 N_AB42_1 CA_AB42_14 1 2.101863e-03 7.188231e-06 ; 3.881530e-01 1.536480e-01 5.929183e-03 9.893440e-04 0.000485 0.001339 True native_MD 7 1 125 - N_AB42_1 CB_AB42_14 1 0.000000e+00 3.665404e-06 ; 3.139341e-01 -3.665404e-06 4.087561e-03 1.183030e-03 0.000485 0.000060 True native_MD 7 1 126 + N_AB42_1 CB_AB42_14 1 0.000000e+00 3.665356e-06 ; 3.139338e-01 -3.665356e-06 4.087561e-03 1.183030e-03 0.000485 0.000060 True native_MD 7 1 126 N_AB42_1 CG_AB42_14 1 4.536516e-04 3.703300e-07 ; 3.057110e-01 1.389300e-01 3.816897e-03 8.890915e-04 0.000485 0.002166 True native_MD 7 1 127 N_AB42_1 ND1_AB42_14 1 1.702528e-04 5.056501e-08 ; 2.583009e-01 1.433106e-01 4.351547e-03 1.492902e-03 0.000485 0.002166 True native_MD 7 1 128 N_AB42_1 CD2_AB42_14 1 9.286780e-04 1.637538e-06 ; 3.475797e-01 1.316676e-01 3.071307e-03 1.626988e-03 0.000485 0.003309 True native_MD 7 1 129 @@ -482,10 +482,10 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_1 NE2_AB42_14 1 9.248304e-04 1.591995e-06 ; 3.461890e-01 1.343144e-01 3.985497e-03 2.596766e-03 0.000485 0.002166 True native_MD 7 1 131 N_AB42_1 C_AB42_14 1 6.833123e-04 1.120847e-06 ; 3.434165e-01 1.041435e-01 1.347727e-03 2.452867e-04 0.000485 0.002166 True native_MD 7 1 132 N_AB42_1 O_AB42_14 1 7.534888e-05 1.666384e-08 ; 2.459139e-01 8.517625e-02 7.639955e-04 4.707422e-04 0.000485 0.002166 True native_MD 7 1 133 - N_AB42_1 N_AB42_15 1 0.000000e+00 8.744943e-07 ; 2.785959e-01 -8.744943e-07 1.046573e-03 1.329126e-04 0.000485 0.000060 True native_MD 7 1 134 + N_AB42_1 N_AB42_15 1 0.000000e+00 8.744851e-07 ; 2.785957e-01 -8.744851e-07 1.046573e-03 1.329126e-04 0.000485 0.000060 True native_MD 7 1 134 N_AB42_1 CA_AB42_15 1 2.215136e-03 9.736653e-06 ; 4.047326e-01 1.259886e-01 2.591286e-03 8.357464e-04 0.000485 0.001339 True native_MD 7 1 136 - N_AB42_1 CB_AB42_15 1 0.000000e+00 3.671941e-06 ; 3.139807e-01 -3.671941e-06 1.758714e-03 6.323136e-04 0.000485 0.000060 True native_MD 7 1 137 - N_AB42_1 CG_AB42_15 1 0.000000e+00 3.673618e-06 ; 3.139927e-01 -3.673618e-06 1.642295e-03 9.720608e-04 0.000485 0.000060 True native_MD 7 1 138 + N_AB42_1 CB_AB42_15 1 0.000000e+00 3.671893e-06 ; 3.139804e-01 -3.671893e-06 1.758714e-03 6.323136e-04 0.000485 0.000060 True native_MD 7 1 137 + N_AB42_1 CG_AB42_15 1 0.000000e+00 3.673569e-06 ; 3.139923e-01 -3.673569e-06 1.642295e-03 9.720608e-04 0.000485 0.000060 True native_MD 7 1 138 N_AB42_1 CD_AB42_15 1 5.330745e-04 6.365682e-07 ; 3.257188e-01 1.116017e-01 1.684744e-03 1.041159e-03 0.000485 0.002166 True native_MD 7 1 139 N_AB42_1 OE1_AB42_15 1 8.001607e-05 1.481174e-08 ; 2.387288e-01 1.080659e-01 1.515582e-03 1.202580e-03 0.000485 0.002166 True native_MD 7 1 140 N_AB42_1 NE2_AB42_15 1 7.951729e-04 1.330744e-06 ; 3.445658e-01 1.187870e-01 2.088902e-03 1.321727e-03 0.000485 0.002166 True native_MD 7 1 141 @@ -493,31 +493,31 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_1 O_AB42_15 1 8.741826e-05 1.758874e-08 ; 2.420688e-01 1.086200e-01 1.540923e-03 2.995155e-04 0.000485 0.002166 True native_MD 7 1 143 N_AB42_1 N_AB42_16 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.893116e-04 9.730170e-05 0.000485 0.000060 True native_MD 7 1 144 N_AB42_1 CA_AB42_16 1 2.020436e-03 8.748435e-06 ; 4.037206e-01 1.166541e-01 1.959738e-03 3.220673e-04 0.000485 0.001339 True native_MD 7 1 146 - N_AB42_1 CB_AB42_16 1 0.000000e+00 3.674245e-06 ; 3.139971e-01 -3.674245e-06 7.715035e-04 2.718554e-04 0.000485 0.000060 True native_MD 7 1 147 - N_AB42_1 CG_AB42_16 1 0.000000e+00 3.673912e-06 ; 3.139948e-01 -3.673912e-06 1.149437e-03 5.591707e-04 0.000485 0.000060 True native_MD 7 1 148 - N_AB42_1 CD_AB42_16 1 0.000000e+00 3.673660e-06 ; 3.139930e-01 -3.673660e-06 1.304934e-03 6.460838e-04 0.000485 0.000060 True native_MD 7 1 149 - N_AB42_1 CE_AB42_16 1 0.000000e+00 3.673299e-06 ; 3.139904e-01 -3.673299e-06 1.855314e-03 1.098305e-03 0.000485 0.000060 True native_MD 7 1 150 + N_AB42_1 CB_AB42_16 1 0.000000e+00 3.674197e-06 ; 3.139968e-01 -3.674197e-06 7.715035e-04 2.718554e-04 0.000485 0.000060 True native_MD 7 1 147 + N_AB42_1 CG_AB42_16 1 0.000000e+00 3.673863e-06 ; 3.139944e-01 -3.673863e-06 1.149437e-03 5.591707e-04 0.000485 0.000060 True native_MD 7 1 148 + N_AB42_1 CD_AB42_16 1 0.000000e+00 3.673611e-06 ; 3.139926e-01 -3.673611e-06 1.304934e-03 6.460838e-04 0.000485 0.000060 True native_MD 7 1 149 + N_AB42_1 CE_AB42_16 1 0.000000e+00 3.673250e-06 ; 3.139900e-01 -3.673250e-06 1.855314e-03 1.098305e-03 0.000485 0.000060 True native_MD 7 1 150 N_AB42_1 NZ_AB42_16 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 151 N_AB42_1 C_AB42_16 1 6.392392e-04 1.285425e-06 ; 3.552744e-01 7.947309e-02 6.441229e-04 4.996533e-05 0.000485 0.002166 True native_MD 7 1 152 N_AB42_1 O_AB42_16 1 6.438411e-05 1.395531e-08 ; 2.450907e-01 7.426049e-02 5.510897e-04 1.736280e-04 0.000485 0.002166 True native_MD 7 1 153 N_AB42_1 N_AB42_17 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.985989e-04 4.230374e-05 0.000485 0.000060 True native_MD 7 1 154 N_AB42_1 CA_AB42_17 1 1.846689e-03 7.841425e-06 ; 4.024083e-01 1.087257e-01 1.545808e-03 3.938730e-04 0.000485 0.001339 True native_MD 7 1 156 - N_AB42_1 CB_AB42_17 1 0.000000e+00 3.673391e-06 ; 3.139910e-01 -3.673391e-06 1.184347e-03 4.523780e-04 0.000485 0.000060 True native_MD 7 1 157 - N_AB42_1 CG_AB42_17 1 0.000000e+00 7.569849e-06 ; 3.334921e-01 -7.569849e-06 1.646780e-03 9.674130e-04 0.000485 0.000060 True native_MD 7 1 158 - N_AB42_1 CD1_AB42_17 1 0.000000e+00 2.742947e-06 ; 3.064407e-01 -2.742947e-06 1.227009e-03 1.234549e-03 0.000485 0.000060 True native_MD 7 1 159 - N_AB42_1 CD2_AB42_17 1 0.000000e+00 2.742688e-06 ; 3.064383e-01 -2.742688e-06 1.287645e-03 1.200716e-03 0.000485 0.000060 True native_MD 7 1 160 + N_AB42_1 CB_AB42_17 1 0.000000e+00 3.673343e-06 ; 3.139907e-01 -3.673343e-06 1.184347e-03 4.523780e-04 0.000485 0.000060 True native_MD 7 1 157 + N_AB42_1 CG_AB42_17 1 0.000000e+00 7.569837e-06 ; 3.334921e-01 -7.569837e-06 1.646780e-03 9.674130e-04 0.000485 0.000060 True native_MD 7 1 158 + N_AB42_1 CD1_AB42_17 1 0.000000e+00 2.742921e-06 ; 3.064405e-01 -2.742921e-06 1.227009e-03 1.234549e-03 0.000485 0.000060 True native_MD 7 1 159 + N_AB42_1 CD2_AB42_17 1 0.000000e+00 2.742662e-06 ; 3.064380e-01 -2.742662e-06 1.287645e-03 1.200716e-03 0.000485 0.000060 True native_MD 7 1 160 N_AB42_1 C_AB42_17 1 5.318362e-04 6.763863e-07 ; 3.291568e-01 1.045445e-01 1.363996e-03 5.352532e-05 0.000485 0.002166 True native_MD 7 1 161 N_AB42_1 O_AB42_17 1 7.962911e-05 1.517474e-08 ; 2.398878e-01 1.044630e-01 1.360674e-03 2.432670e-04 0.000485 0.002166 True native_MD 7 1 162 N_AB42_1 N_AB42_18 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 4.068112e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 1 163 N_AB42_1 CA_AB42_18 1 1.551546e-03 5.323967e-06 ; 3.883695e-01 1.130405e-01 1.758870e-03 2.014577e-04 0.000485 0.001339 True native_MD 7 1 165 - N_AB42_1 CB_AB42_18 1 0.000000e+00 7.564773e-06 ; 3.334735e-01 -7.564773e-06 2.043471e-03 6.940323e-04 0.000485 0.000060 True native_MD 7 1 166 - N_AB42_1 CG1_AB42_18 1 0.000000e+00 2.741726e-06 ; 3.064293e-01 -2.741726e-06 1.154566e-03 7.170506e-04 0.000485 0.000060 True native_MD 7 1 167 - N_AB42_1 CG2_AB42_18 1 0.000000e+00 2.740366e-06 ; 3.064167e-01 -2.740366e-06 1.612869e-03 6.794773e-04 0.000485 0.000060 True native_MD 7 1 168 + N_AB42_1 CB_AB42_18 1 0.000000e+00 7.564761e-06 ; 3.334735e-01 -7.564761e-06 2.043471e-03 6.940323e-04 0.000485 0.000060 True native_MD 7 1 166 + N_AB42_1 CG1_AB42_18 1 0.000000e+00 2.741700e-06 ; 3.064291e-01 -2.741700e-06 1.154566e-03 7.170506e-04 0.000485 0.000060 True native_MD 7 1 167 + N_AB42_1 CG2_AB42_18 1 0.000000e+00 2.740340e-06 ; 3.064164e-01 -2.740340e-06 1.612869e-03 6.794773e-04 0.000485 0.000060 True native_MD 7 1 168 N_AB42_1 C_AB42_18 1 4.816972e-04 6.520180e-07 ; 3.325939e-01 8.896694e-02 8.557703e-04 5.091965e-05 0.000485 0.002166 True native_MD 7 1 169 N_AB42_1 O_AB42_18 1 7.510391e-05 1.552207e-08 ; 2.431539e-01 9.084799e-02 9.053251e-04 2.183648e-04 0.000485 0.002166 True native_MD 7 1 170 N_AB42_1 N_AB42_19 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.026045e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 1 171 N_AB42_1 CA_AB42_19 1 3.083971e-03 2.163480e-05 ; 4.375293e-01 1.099025e-01 1.601215e-03 6.506400e-04 0.000485 0.001339 True native_MD 7 1 173 - N_AB42_1 CB_AB42_19 1 0.000000e+00 3.675782e-06 ; 3.140081e-01 -3.675782e-06 9.711984e-04 8.896685e-04 0.000485 0.000060 True native_MD 7 1 174 + N_AB42_1 CB_AB42_19 1 0.000000e+00 3.675734e-06 ; 3.140077e-01 -3.675734e-06 9.711984e-04 8.896685e-04 0.000485 0.000060 True native_MD 7 1 174 N_AB42_1 CD1_AB42_19 1 7.788144e-04 1.654756e-06 ; 3.585502e-01 9.163769e-02 9.269749e-04 6.713122e-04 0.000485 0.003309 True native_MD 7 1 176 N_AB42_1 CD2_AB42_19 1 7.788144e-04 1.654756e-06 ; 3.585502e-01 9.163769e-02 9.269749e-04 6.713122e-04 0.000485 0.003309 True native_MD 7 1 177 N_AB42_1 CE1_AB42_19 1 9.833424e-04 2.476010e-06 ; 3.688428e-01 9.763313e-02 1.109146e-03 1.123935e-03 0.000485 0.003309 True native_MD 7 1 178 @@ -527,7 +527,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_1 O_AB42_19 1 5.225373e-05 8.731097e-09 ; 2.346886e-01 7.818183e-02 6.197074e-04 3.903303e-04 0.000485 0.002166 True native_MD 7 1 182 N_AB42_1 N_AB42_20 1 8.112319e-04 2.339741e-06 ; 3.772858e-01 7.031730e-02 5.021981e-04 6.123286e-05 0.000485 0.000060 True native_MD 7 1 183 N_AB42_1 CA_AB42_20 1 2.807377e-03 1.479728e-05 ; 4.171705e-01 1.331556e-01 3.211164e-03 4.235526e-04 0.000485 0.001339 True native_MD 7 1 185 - N_AB42_1 CB_AB42_20 1 0.000000e+00 3.666513e-06 ; 3.139420e-01 -3.666513e-06 3.003557e-03 4.005622e-04 0.000485 0.000060 True native_MD 7 1 186 + N_AB42_1 CB_AB42_20 1 0.000000e+00 3.666465e-06 ; 3.139417e-01 -3.666465e-06 3.003557e-03 4.005622e-04 0.000485 0.000060 True native_MD 7 1 186 N_AB42_1 CG_AB42_20 1 7.302617e-04 1.474834e-06 ; 3.555310e-01 9.039700e-02 8.931887e-04 3.336536e-04 0.000485 0.003309 True native_MD 7 1 187 N_AB42_1 CD1_AB42_20 1 6.270501e-04 9.851245e-07 ; 3.409558e-01 9.978228e-02 1.182825e-03 7.652136e-04 0.000485 0.003309 True native_MD 7 1 188 N_AB42_1 CD2_AB42_20 1 6.270501e-04 9.851245e-07 ; 3.409558e-01 9.978228e-02 1.182825e-03 7.652136e-04 0.000485 0.003309 True native_MD 7 1 189 @@ -535,9 +535,9 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_1 CE2_AB42_20 1 3.561070e-04 3.131677e-07 ; 3.095276e-01 1.012335e-01 1.235325e-03 1.552216e-03 0.000485 0.003309 True native_MD 7 1 191 N_AB42_1 CZ_AB42_20 1 7.203104e-04 1.214031e-06 ; 3.449729e-01 1.068439e-01 1.461161e-03 1.850590e-03 0.000485 0.003309 True native_MD 7 1 192 N_AB42_1 O_AB42_20 1 1.058822e-04 2.269052e-08 ; 2.446265e-01 1.235213e-01 2.406846e-03 1.920771e-04 0.000485 0.002166 True native_MD 7 1 194 - N_AB42_1 N_AB42_21 1 0.000000e+00 8.747680e-07 ; 2.786032e-01 -8.747680e-07 7.446476e-04 1.437230e-04 0.000485 0.000060 True native_MD 7 1 195 + N_AB42_1 N_AB42_21 1 0.000000e+00 8.747588e-07 ; 2.786029e-01 -8.747588e-07 7.446476e-04 1.437230e-04 0.000485 0.000060 True native_MD 7 1 195 N_AB42_1 CA_AB42_21 1 2.622913e-03 1.188918e-05 ; 4.068129e-01 1.446625e-01 4.531202e-03 6.034960e-04 0.000485 0.001339 True native_MD 7 1 197 - N_AB42_1 CB_AB42_21 1 0.000000e+00 2.739282e-06 ; 3.064066e-01 -2.739282e-06 2.164757e-03 8.362868e-04 0.000485 0.000060 True native_MD 7 1 198 + N_AB42_1 CB_AB42_21 1 0.000000e+00 2.739256e-06 ; 3.064063e-01 -2.739256e-06 2.164757e-03 8.362868e-04 0.000485 0.000060 True native_MD 7 1 198 N_AB42_1 C_AB42_21 1 6.466733e-04 8.300240e-07 ; 3.296610e-01 1.259561e-01 2.588768e-03 1.366986e-04 0.000485 0.002166 True native_MD 7 1 199 N_AB42_1 O_AB42_21 1 1.033836e-04 2.149107e-08 ; 2.433891e-01 1.243326e-01 2.465998e-03 1.999766e-04 0.000485 0.002166 True native_MD 7 1 200 N_AB42_1 N_AB42_22 1 8.662447e-04 1.976713e-06 ; 3.628417e-01 9.490251e-02 1.022115e-03 5.144363e-05 0.000485 0.000060 True native_MD 7 1 201 @@ -559,9 +559,9 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_1 O_AB42_23 1 1.172278e-04 2.456174e-08 ; 2.437089e-01 1.398757e-01 3.926464e-03 2.748243e-04 0.000485 0.002166 True native_MD 7 1 219 N_AB42_1 N_AB42_24 1 9.567049e-04 2.386958e-06 ; 3.682797e-01 9.586305e-02 1.051922e-03 4.960986e-05 0.000485 0.000060 True native_MD 7 1 220 N_AB42_1 CA_AB42_24 1 2.612736e-03 1.086876e-05 ; 4.010336e-01 1.570186e-01 6.558452e-03 4.326638e-04 0.000485 0.001339 True native_MD 7 1 222 - N_AB42_1 CB_AB42_24 1 0.000000e+00 7.545323e-06 ; 3.334020e-01 -7.545323e-06 4.852932e-03 9.358556e-04 0.000485 0.000060 True native_MD 7 1 223 - N_AB42_1 CG1_AB42_24 1 0.000000e+00 2.736806e-06 ; 3.063835e-01 -2.736806e-06 3.012274e-03 7.809861e-04 0.000485 0.000060 True native_MD 7 1 224 - N_AB42_1 CG2_AB42_24 1 0.000000e+00 2.735832e-06 ; 3.063744e-01 -2.735832e-06 3.173038e-03 5.867280e-04 0.000485 0.000060 True native_MD 7 1 225 + N_AB42_1 CB_AB42_24 1 0.000000e+00 7.545311e-06 ; 3.334019e-01 -7.545311e-06 4.852932e-03 9.358556e-04 0.000485 0.000060 True native_MD 7 1 223 + N_AB42_1 CG1_AB42_24 1 0.000000e+00 2.736780e-06 ; 3.063832e-01 -2.736780e-06 3.012274e-03 7.809861e-04 0.000485 0.000060 True native_MD 7 1 224 + N_AB42_1 CG2_AB42_24 1 0.000000e+00 2.735806e-06 ; 3.063741e-01 -2.735806e-06 3.173038e-03 5.867280e-04 0.000485 0.000060 True native_MD 7 1 225 N_AB42_1 C_AB42_24 1 7.941273e-04 1.250978e-06 ; 3.411091e-01 1.260290e-01 2.594419e-03 1.553983e-04 0.000485 0.002166 True native_MD 7 1 226 N_AB42_1 O_AB42_24 1 9.347076e-05 1.693524e-08 ; 2.378771e-01 1.289734e-01 2.833399e-03 1.769156e-04 0.000485 0.002166 True native_MD 7 1 227 N_AB42_1 N_AB42_25 1 1.209056e-03 4.109048e-06 ; 3.877476e-01 8.893882e-02 8.550503e-04 5.000065e-05 0.000485 0.000060 True native_MD 7 1 228 @@ -585,9 +585,9 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_1 N_AB42_28 1 1.186794e-03 3.812258e-06 ; 3.841208e-01 9.236526e-02 9.473794e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 1 249 N_AB42_1 CA_AB42_28 1 3.547297e-03 1.949997e-05 ; 4.201033e-01 1.613248e-01 7.460495e-03 2.677139e-04 0.000485 0.001339 True native_MD 7 1 251 N_AB42_1 CB_AB42_28 1 1.963471e-03 9.730006e-06 ; 4.129030e-01 9.905493e-02 5.068420e-03 2.615103e-04 0.000485 0.000060 True native_MD 7 1 252 - N_AB42_1 CG_AB42_28 1 0.000000e+00 3.670551e-06 ; 3.139708e-01 -3.670551e-06 1.875849e-03 3.712098e-04 0.000485 0.000060 True native_MD 7 1 253 - N_AB42_1 CD_AB42_28 1 0.000000e+00 3.670669e-06 ; 3.139717e-01 -3.670669e-06 1.857035e-03 3.847548e-04 0.000485 0.000060 True native_MD 7 1 254 - N_AB42_1 CE_AB42_28 1 0.000000e+00 3.671717e-06 ; 3.139791e-01 -3.671717e-06 1.591938e-03 4.044965e-04 0.000485 0.000060 True native_MD 7 1 255 + N_AB42_1 CG_AB42_28 1 0.000000e+00 3.670502e-06 ; 3.139705e-01 -3.670502e-06 1.875849e-03 3.712098e-04 0.000485 0.000060 True native_MD 7 1 253 + N_AB42_1 CD_AB42_28 1 0.000000e+00 3.670621e-06 ; 3.139713e-01 -3.670621e-06 1.857035e-03 3.847548e-04 0.000485 0.000060 True native_MD 7 1 254 + N_AB42_1 CE_AB42_28 1 0.000000e+00 3.671668e-06 ; 3.139788e-01 -3.671668e-06 1.591938e-03 4.044965e-04 0.000485 0.000060 True native_MD 7 1 255 N_AB42_1 NZ_AB42_28 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 256 N_AB42_1 C_AB42_28 1 9.203310e-04 1.561080e-06 ; 3.453400e-01 1.356448e-01 3.459500e-03 1.069380e-04 0.000485 0.002166 True native_MD 7 1 257 N_AB42_1 O_AB42_28 1 1.058102e-04 2.121320e-08 ; 2.419244e-01 1.319439e-01 3.096807e-03 1.029385e-04 0.000485 0.002166 True native_MD 7 1 258 @@ -597,23 +597,23 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_1 O_AB42_29 1 1.150252e-04 2.644902e-08 ; 2.475157e-01 1.250594e-01 2.520220e-03 1.994157e-04 0.000485 0.002166 True native_MD 7 1 263 N_AB42_1 N_AB42_30 1 6.325333e-04 9.696963e-07 ; 3.395669e-01 1.031504e-01 1.308263e-03 1.661733e-06 0.000485 0.000060 True native_MD 7 1 264 N_AB42_1 CA_AB42_30 1 2.280043e-03 8.582221e-06 ; 3.944053e-01 1.514351e-01 5.549259e-03 5.380315e-04 0.000485 0.001339 True native_MD 7 1 266 - N_AB42_1 CB_AB42_30 1 0.000000e+00 2.737823e-06 ; 3.063930e-01 -2.737823e-06 2.702923e-03 8.423423e-04 0.000485 0.000060 True native_MD 7 1 267 + N_AB42_1 CB_AB42_30 1 0.000000e+00 2.737797e-06 ; 3.063927e-01 -2.737797e-06 2.702923e-03 8.423423e-04 0.000485 0.000060 True native_MD 7 1 267 N_AB42_1 C_AB42_30 1 8.231016e-04 1.276435e-06 ; 3.402182e-01 1.326931e-01 3.167024e-03 1.218515e-04 0.000485 0.002166 True native_MD 7 1 268 N_AB42_1 O_AB42_30 1 1.118413e-04 2.339463e-08 ; 2.436421e-01 1.336683e-01 3.260813e-03 2.678981e-04 0.000485 0.002166 True native_MD 7 1 269 N_AB42_1 N_AB42_31 1 8.965189e-04 2.719297e-06 ; 3.804663e-01 7.389281e-02 5.450592e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 1 270 N_AB42_1 CA_AB42_31 1 2.477231e-03 1.100555e-05 ; 4.054534e-01 1.393995e-01 3.870901e-03 1.035977e-04 0.000485 0.001339 True native_MD 7 1 272 N_AB42_1 CB_AB42_31 1 1.538713e-03 7.368668e-06 ; 4.105555e-01 8.032784e-02 2.293395e-03 2.072453e-04 0.000485 0.000060 True native_MD 7 1 273 - N_AB42_1 CG1_AB42_31 1 0.000000e+00 3.672251e-06 ; 3.139829e-01 -3.672251e-06 1.239432e-03 1.973017e-04 0.000485 0.000060 True native_MD 7 1 274 - N_AB42_1 CG2_AB42_31 1 0.000000e+00 2.738611e-06 ; 3.064003e-01 -2.738611e-06 2.025733e-03 4.526970e-04 0.000485 0.000060 True native_MD 7 1 275 - N_AB42_1 CD_AB42_31 1 0.000000e+00 2.736665e-06 ; 3.063822e-01 -2.736665e-06 2.686434e-03 4.039114e-04 0.000485 0.000060 True native_MD 7 1 276 + N_AB42_1 CG1_AB42_31 1 0.000000e+00 3.672202e-06 ; 3.139826e-01 -3.672202e-06 1.239432e-03 1.973017e-04 0.000485 0.000060 True native_MD 7 1 274 + N_AB42_1 CG2_AB42_31 1 0.000000e+00 2.738586e-06 ; 3.064001e-01 -2.738586e-06 2.025733e-03 4.526970e-04 0.000485 0.000060 True native_MD 7 1 275 + N_AB42_1 CD_AB42_31 1 0.000000e+00 2.736639e-06 ; 3.063819e-01 -2.736639e-06 2.686434e-03 4.039114e-04 0.000485 0.000060 True native_MD 7 1 276 N_AB42_1 C_AB42_31 1 7.317831e-04 1.285638e-06 ; 3.473676e-01 1.041325e-01 1.347282e-03 4.040257e-05 0.000485 0.002166 True native_MD 7 1 277 N_AB42_1 O_AB42_31 1 8.658419e-05 1.849018e-08 ; 2.444840e-01 1.013622e-01 1.240093e-03 1.167796e-04 0.000485 0.002166 True native_MD 7 1 278 N_AB42_1 N_AB42_32 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.528427e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 1 279 N_AB42_1 CA_AB42_32 1 2.280778e-03 1.165636e-05 ; 4.150305e-01 1.115688e-01 1.683085e-03 1.570228e-04 0.000485 0.001339 True native_MD 7 1 281 - N_AB42_1 CB_AB42_32 1 0.000000e+00 7.571874e-06 ; 3.334996e-01 -7.571874e-06 8.830883e-04 4.710764e-04 0.000485 0.000060 True native_MD 7 1 282 - N_AB42_1 CG1_AB42_32 1 0.000000e+00 3.674021e-06 ; 3.139955e-01 -3.674021e-06 8.775974e-04 3.170380e-04 0.000485 0.000060 True native_MD 7 1 283 - N_AB42_1 CG2_AB42_32 1 0.000000e+00 2.742925e-06 ; 3.064405e-01 -2.742925e-06 6.272133e-04 6.267539e-04 0.000485 0.000060 True native_MD 7 1 284 - N_AB42_1 CD_AB42_32 1 0.000000e+00 2.739868e-06 ; 3.064120e-01 -2.739868e-06 1.691114e-03 5.760195e-04 0.000485 0.000060 True native_MD 7 1 285 + N_AB42_1 CB_AB42_32 1 0.000000e+00 7.571862e-06 ; 3.334995e-01 -7.571862e-06 8.830883e-04 4.710764e-04 0.000485 0.000060 True native_MD 7 1 282 + N_AB42_1 CG1_AB42_32 1 0.000000e+00 3.673973e-06 ; 3.139952e-01 -3.673973e-06 8.775974e-04 3.170380e-04 0.000485 0.000060 True native_MD 7 1 283 + N_AB42_1 CG2_AB42_32 1 0.000000e+00 2.742899e-06 ; 3.064403e-01 -2.742899e-06 6.272133e-04 6.267539e-04 0.000485 0.000060 True native_MD 7 1 284 + N_AB42_1 CD_AB42_32 1 0.000000e+00 2.739842e-06 ; 3.064118e-01 -2.739842e-06 1.691114e-03 5.760195e-04 0.000485 0.000060 True native_MD 7 1 285 N_AB42_1 C_AB42_32 1 5.842046e-04 1.099602e-06 ; 3.513811e-01 7.759509e-02 6.089211e-04 8.590801e-05 0.000485 0.002166 True native_MD 7 1 286 N_AB42_1 O_AB42_32 1 7.561283e-05 1.550672e-08 ; 2.428403e-01 9.217458e-02 9.419888e-04 7.057055e-05 0.000485 0.002166 True native_MD 7 1 287 N_AB42_1 N_AB42_33 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.235464e-04 1.459999e-05 0.000485 0.000060 True native_MD 7 1 288 @@ -622,25 +622,25 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_1 O_AB42_33 1 8.744488e-05 1.951786e-08 ; 2.462916e-01 9.794371e-02 1.119503e-03 3.528091e-04 0.000485 0.002166 True native_MD 7 1 292 N_AB42_1 N_AB42_34 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 3.796534e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 1 293 N_AB42_1 CA_AB42_34 1 1.477460e-03 4.916458e-06 ; 3.863872e-01 1.109990e-01 1.654630e-03 3.036883e-04 0.000485 0.001339 True native_MD 7 1 295 - N_AB42_1 CB_AB42_34 1 0.000000e+00 3.674547e-06 ; 3.139993e-01 -3.674547e-06 5.383898e-04 1.208851e-04 0.000485 0.000060 True native_MD 7 1 296 - N_AB42_1 CG_AB42_34 1 0.000000e+00 7.566523e-06 ; 3.334799e-01 -7.566523e-06 1.471123e-03 3.527539e-04 0.000485 0.000060 True native_MD 7 1 297 - N_AB42_1 CD1_AB42_34 1 0.000000e+00 2.738958e-06 ; 3.064035e-01 -2.738958e-06 1.780316e-03 3.336864e-04 0.000485 0.000060 True native_MD 7 1 298 - N_AB42_1 CD2_AB42_34 1 0.000000e+00 2.740416e-06 ; 3.064171e-01 -2.740416e-06 1.215332e-03 3.003600e-04 0.000485 0.000060 True native_MD 7 1 299 + N_AB42_1 CB_AB42_34 1 0.000000e+00 3.674499e-06 ; 3.139989e-01 -3.674499e-06 5.383898e-04 1.208851e-04 0.000485 0.000060 True native_MD 7 1 296 + N_AB42_1 CG_AB42_34 1 0.000000e+00 7.566511e-06 ; 3.334799e-01 -7.566511e-06 1.471123e-03 3.527539e-04 0.000485 0.000060 True native_MD 7 1 297 + N_AB42_1 CD1_AB42_34 1 0.000000e+00 2.738932e-06 ; 3.064033e-01 -2.738932e-06 1.780316e-03 3.336864e-04 0.000485 0.000060 True native_MD 7 1 298 + N_AB42_1 CD2_AB42_34 1 0.000000e+00 2.740391e-06 ; 3.064169e-01 -2.740391e-06 1.215332e-03 3.003600e-04 0.000485 0.000060 True native_MD 7 1 299 N_AB42_1 C_AB42_34 1 4.436661e-04 6.012349e-07 ; 3.326580e-01 8.184803e-02 6.915683e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 1 300 N_AB42_1 O_AB42_34 1 1.058378e-04 3.187740e-08 ; 2.589050e-01 8.784930e-02 8.276212e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 1 301 N_AB42_1 N_AB42_35 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.571642e-04 1.032123e-06 0.000485 0.000060 True native_MD 7 1 302 N_AB42_1 CA_AB42_35 1 2.354699e-03 1.188260e-05 ; 4.141548e-01 1.166540e-01 1.959730e-03 7.834240e-05 0.000485 0.001339 True native_MD 7 1 304 N_AB42_1 CB_AB42_35 1 1.433404e-03 6.090980e-06 ; 4.024573e-01 8.433154e-02 7.449247e-04 5.113075e-05 0.000485 0.000060 True native_MD 7 1 305 - N_AB42_1 CG_AB42_35 1 0.000000e+00 3.674874e-06 ; 3.140016e-01 -3.674874e-06 5.300704e-04 2.015278e-04 0.000485 0.000060 True native_MD 7 1 306 + N_AB42_1 CG_AB42_35 1 0.000000e+00 3.674826e-06 ; 3.140013e-01 -3.674826e-06 5.300704e-04 2.015278e-04 0.000485 0.000060 True native_MD 7 1 306 N_AB42_1 SD_AB42_35 1 7.524935e-04 1.501115e-06 ; 3.548013e-01 9.430430e-02 1.003980e-03 2.425000e-04 0.000485 0.002166 True native_MD 7 1 307 - N_AB42_1 CE_AB42_35 1 0.000000e+00 2.739205e-06 ; 3.064058e-01 -2.739205e-06 1.583463e-03 2.268796e-04 0.000485 0.000060 True native_MD 7 1 308 + N_AB42_1 CE_AB42_35 1 0.000000e+00 2.739179e-06 ; 3.064056e-01 -2.739179e-06 1.583463e-03 2.268796e-04 0.000485 0.000060 True native_MD 7 1 308 N_AB42_1 C_AB42_35 1 7.492572e-04 1.326600e-06 ; 3.478176e-01 1.057942e-01 1.415976e-03 4.999910e-05 0.000485 0.002166 True native_MD 7 1 309 N_AB42_1 O_AB42_35 1 9.118933e-05 1.934115e-08 ; 2.442060e-01 1.074845e-01 1.489441e-03 5.291316e-05 0.000485 0.002166 True native_MD 7 1 310 N_AB42_1 N_AB42_36 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.280613e-04 4.783816e-05 0.000485 0.000060 True native_MD 7 1 311 N_AB42_1 CA_AB42_36 1 2.515541e-03 1.280030e-05 ; 4.147294e-01 1.235898e-01 2.411785e-03 1.171304e-04 0.000485 0.001339 True native_MD 7 1 313 - N_AB42_1 CB_AB42_36 1 0.000000e+00 7.570259e-06 ; 3.334936e-01 -7.570259e-06 1.164931e-03 5.397380e-04 0.000485 0.000060 True native_MD 7 1 314 - N_AB42_1 CG1_AB42_36 1 0.000000e+00 2.740187e-06 ; 3.064150e-01 -2.740187e-06 1.487301e-03 4.886253e-04 0.000485 0.000060 True native_MD 7 1 315 - N_AB42_1 CG2_AB42_36 1 0.000000e+00 2.741716e-06 ; 3.064292e-01 -2.741716e-06 9.282199e-04 4.871715e-04 0.000485 0.000060 True native_MD 7 1 316 + N_AB42_1 CB_AB42_36 1 0.000000e+00 7.570247e-06 ; 3.334936e-01 -7.570247e-06 1.164931e-03 5.397380e-04 0.000485 0.000060 True native_MD 7 1 314 + N_AB42_1 CG1_AB42_36 1 0.000000e+00 2.740161e-06 ; 3.064148e-01 -2.740161e-06 1.487301e-03 4.886253e-04 0.000485 0.000060 True native_MD 7 1 315 + N_AB42_1 CG2_AB42_36 1 0.000000e+00 2.741690e-06 ; 3.064290e-01 -2.741690e-06 9.282199e-04 4.871715e-04 0.000485 0.000060 True native_MD 7 1 316 N_AB42_1 C_AB42_36 1 6.775619e-04 1.089522e-06 ; 3.422797e-01 1.053421e-01 1.396946e-03 5.416604e-05 0.000485 0.002166 True native_MD 7 1 317 N_AB42_1 O_AB42_36 1 9.091611e-05 2.007299e-08 ; 2.458453e-01 1.029460e-01 1.300285e-03 1.966751e-04 0.000485 0.002166 True native_MD 7 1 318 N_AB42_1 N_AB42_37 1 7.574514e-04 1.636255e-06 ; 3.595418e-01 8.765943e-02 8.229318e-04 5.253683e-05 0.000485 0.000060 True native_MD 7 1 319 @@ -653,24 +653,24 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_1 O_AB42_38 1 9.041248e-05 1.819439e-08 ; 2.420759e-01 1.123205e-01 1.721377e-03 9.996587e-05 0.000485 0.002166 True native_MD 7 1 328 N_AB42_1 N_AB42_39 1 7.503886e-04 1.843878e-06 ; 3.673452e-01 7.634495e-02 5.865613e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 1 329 N_AB42_1 CA_AB42_39 1 2.959331e-03 1.684522e-05 ; 4.225524e-01 1.299721e-01 2.919362e-03 2.176070e-04 0.000485 0.001339 True native_MD 7 1 331 - N_AB42_1 CB_AB42_39 1 0.000000e+00 7.565010e-06 ; 3.334744e-01 -7.565010e-06 1.786128e-03 4.680372e-04 0.000485 0.000060 True native_MD 7 1 332 - N_AB42_1 CG1_AB42_39 1 0.000000e+00 2.738650e-06 ; 3.064007e-01 -2.738650e-06 2.105853e-03 5.469409e-04 0.000485 0.000060 True native_MD 7 1 333 - N_AB42_1 CG2_AB42_39 1 0.000000e+00 2.741079e-06 ; 3.064233e-01 -2.741079e-06 1.017847e-03 3.443698e-04 0.000485 0.000060 True native_MD 7 1 334 + N_AB42_1 CB_AB42_39 1 0.000000e+00 7.564998e-06 ; 3.334743e-01 -7.564998e-06 1.786128e-03 4.680372e-04 0.000485 0.000060 True native_MD 7 1 332 + N_AB42_1 CG1_AB42_39 1 0.000000e+00 2.738624e-06 ; 3.064004e-01 -2.738624e-06 2.105853e-03 5.469409e-04 0.000485 0.000060 True native_MD 7 1 333 + N_AB42_1 CG2_AB42_39 1 0.000000e+00 2.741053e-06 ; 3.064231e-01 -2.741053e-06 1.017847e-03 3.443698e-04 0.000485 0.000060 True native_MD 7 1 334 N_AB42_1 C_AB42_39 1 5.901117e-04 8.367793e-07 ; 3.351810e-01 1.040393e-01 1.343532e-03 6.939520e-05 0.000485 0.002166 True native_MD 7 1 335 N_AB42_1 O_AB42_39 1 7.619605e-05 1.424892e-08 ; 2.391341e-01 1.018645e-01 1.258875e-03 1.500099e-04 0.000485 0.002166 True native_MD 7 1 336 N_AB42_1 N_AB42_40 1 7.332070e-04 1.811697e-06 ; 3.676855e-01 7.418357e-02 5.498226e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 1 337 N_AB42_1 CA_AB42_40 1 1.741876e-03 6.434151e-06 ; 3.931687e-01 1.178917e-01 2.033682e-03 1.390380e-04 0.000485 0.001339 True native_MD 7 1 339 - N_AB42_1 CB_AB42_40 1 0.000000e+00 7.561233e-06 ; 3.334605e-01 -7.561233e-06 2.193011e-03 3.762412e-04 0.000485 0.000060 True native_MD 7 1 340 + N_AB42_1 CB_AB42_40 1 0.000000e+00 7.561221e-06 ; 3.334604e-01 -7.561221e-06 2.193011e-03 3.762412e-04 0.000485 0.000060 True native_MD 7 1 340 N_AB42_1 CG1_AB42_40 1 6.227792e-04 1.296642e-06 ; 3.573395e-01 7.478046e-02 2.575694e-03 2.747879e-04 0.000485 0.000060 True native_MD 7 1 341 - N_AB42_1 CG2_AB42_40 1 0.000000e+00 2.739173e-06 ; 3.064055e-01 -2.739173e-06 1.829813e-03 4.614174e-04 0.000485 0.000060 True native_MD 7 1 342 + N_AB42_1 CG2_AB42_40 1 0.000000e+00 2.739147e-06 ; 3.064053e-01 -2.739147e-06 1.829813e-03 4.614174e-04 0.000485 0.000060 True native_MD 7 1 342 N_AB42_1 C_AB42_40 1 5.672824e-04 9.719099e-07 ; 3.459164e-01 8.277756e-02 7.110757e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 1 343 N_AB42_1 O_AB42_40 1 7.531083e-05 1.574155e-08 ; 2.436118e-01 9.007568e-02 8.846409e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 1 344 N_AB42_1 N_AB42_41 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 4.109467e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 1 345 N_AB42_1 CA_AB42_41 1 3.491631e-03 2.066202e-05 ; 4.252954e-01 1.475108e-01 4.934381e-03 1.550480e-05 0.000485 0.001339 True native_MD 7 1 347 N_AB42_1 CB_AB42_41 1 1.967453e-03 1.000453e-05 ; 4.146822e-01 9.672799e-02 4.159964e-03 2.301167e-04 0.000485 0.000060 True native_MD 7 1 348 - N_AB42_1 CG1_AB42_41 1 0.000000e+00 3.670032e-06 ; 3.139671e-01 -3.670032e-06 1.889553e-03 2.439820e-04 0.000485 0.000060 True native_MD 7 1 349 + N_AB42_1 CG1_AB42_41 1 0.000000e+00 3.669984e-06 ; 3.139668e-01 -3.669984e-06 1.889553e-03 2.439820e-04 0.000485 0.000060 True native_MD 7 1 349 N_AB42_1 CG2_AB42_41 1 7.113249e-04 1.407697e-06 ; 3.543291e-01 8.986010e-02 5.573789e-03 3.786769e-04 0.000485 0.000060 True native_MD 7 1 350 - N_AB42_1 CD_AB42_41 1 0.000000e+00 2.738289e-06 ; 3.063973e-01 -2.738289e-06 2.190424e-03 4.999323e-04 0.000485 0.000060 True native_MD 7 1 351 + N_AB42_1 CD_AB42_41 1 0.000000e+00 2.738263e-06 ; 3.063971e-01 -2.738263e-06 2.190424e-03 4.999323e-04 0.000485 0.000060 True native_MD 7 1 351 N_AB42_1 C_AB42_41 1 7.400756e-04 9.766319e-07 ; 3.311889e-01 1.402043e-01 3.965259e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 1 352 N_AB42_1 O_AB42_41 1 1.129434e-04 2.285674e-08 ; 2.423031e-01 1.395235e-01 3.885289e-03 4.751733e-06 0.000485 0.002166 True native_MD 7 1 353 N_AB42_1 N_AB42_42 1 1.541874e-03 3.629674e-06 ; 3.647286e-01 1.637457e-01 8.021065e-03 5.003501e-05 0.000485 0.000060 True native_MD 7 1 354 @@ -679,11 +679,11 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_1 C_AB42_42 1 4.629382e-04 2.555868e-07 ; 2.864195e-01 2.096272e-01 3.166202e-02 4.337435e-04 0.000485 0.002166 True native_MD 7 1 358 N_AB42_1 O1_AB42_42 1 1.376140e-04 2.342413e-08 ; 2.354146e-01 2.021165e-01 2.528857e-02 4.206073e-04 0.000485 0.002166 True native_MD 7 1 359 N_AB42_1 O2_AB42_42 1 1.376140e-04 2.342413e-08 ; 2.354146e-01 2.021165e-01 2.528857e-02 4.206073e-04 0.000485 0.002166 True native_MD 7 1 360 - CA_AB42_1 CB_AB42_2 1 0.000000e+00 2.373790e-05 ; 3.668162e-01 -2.373790e-05 1.000000e+00 9.999994e-01 0.000485 0.000060 True native_MD 4 2 12 - CA_AB42_1 C_AB42_2 1 0.000000e+00 1.305185e-05 ; 3.489804e-01 -1.305185e-05 1.000000e+00 9.999988e-01 0.000485 0.000060 True native_MD 4 2 13 - CA_AB42_1 O_AB42_2 1 0.000000e+00 2.593381e-06 ; 3.050122e-01 -2.593381e-06 6.299465e-01 2.543319e-01 0.000485 0.000060 True native_MD 5 2 14 - CA_AB42_1 N_AB42_3 1 0.000000e+00 9.984776e-06 ; 3.412766e-01 -9.984776e-06 4.771122e-01 7.952353e-01 0.000485 0.000060 True native_MD 5 2 15 - CA_AB42_1 CA_AB42_3 1 0.000000e+00 8.390033e-05 ; 4.075135e-01 -8.390033e-05 4.953273e-01 7.751592e-01 0.000485 0.000060 True native_MD 6 2 17 + CA_AB42_1 CB_AB42_2 1 0.000000e+00 2.373788e-05 ; 3.668162e-01 -2.373788e-05 1.000000e+00 9.999994e-01 0.000485 0.000060 True native_MD 4 2 12 + CA_AB42_1 C_AB42_2 1 0.000000e+00 1.305178e-05 ; 3.489802e-01 -1.305178e-05 1.000000e+00 9.999988e-01 0.000485 0.000060 True native_MD 4 2 13 + CA_AB42_1 O_AB42_2 1 0.000000e+00 2.593402e-06 ; 3.050124e-01 -2.593402e-06 6.299465e-01 2.543319e-01 0.000485 0.000060 True native_MD 5 2 14 + CA_AB42_1 N_AB42_3 1 0.000000e+00 9.984760e-06 ; 3.412766e-01 -9.984760e-06 4.771122e-01 7.952353e-01 0.000485 0.000060 True native_MD 5 2 15 + CA_AB42_1 CA_AB42_3 1 0.000000e+00 8.390094e-05 ; 4.075137e-01 -8.390094e-05 4.953273e-01 7.751592e-01 0.000485 0.000060 True native_MD 6 2 17 CA_AB42_1 CB_AB42_3 1 5.109301e-03 8.546309e-05 ; 5.057115e-01 7.636324e-02 2.236129e-01 3.889917e-01 0.000485 0.001021 True native_MD 7 2 18 CA_AB42_1 CG_AB42_3 1 2.955091e-03 2.557161e-05 ; 4.531040e-01 8.537363e-02 2.159943e-01 2.869332e-01 0.000485 0.001021 True native_MD 7 2 19 CA_AB42_1 CD_AB42_3 1 1.248614e-03 2.787279e-06 ; 3.615142e-01 1.398350e-01 1.387240e-01 4.735881e-02 0.000485 0.001339 True native_MD 7 2 20 @@ -691,19 +691,19 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CA_AB42_1 OE2_AB42_3 1 5.095327e-04 3.740539e-07 ; 3.003496e-01 1.735202e-01 1.116892e-01 1.391480e-02 0.000485 0.001339 True native_MD 7 2 22 CA_AB42_1 C_AB42_3 1 3.187114e-03 3.492260e-05 ; 4.712863e-01 7.271578e-02 4.983186e-02 1.267891e-01 0.000485 0.001339 True native_MD 7 2 23 CA_AB42_1 O_AB42_3 1 9.269897e-04 2.455005e-06 ; 3.719600e-01 8.750591e-02 5.886536e-02 9.621044e-02 0.000485 0.001339 True native_MD 7 2 24 - CA_AB42_1 N_AB42_4 1 0.000000e+00 8.720003e-06 ; 3.374463e-01 -8.720003e-06 4.855882e-02 1.997151e-01 0.000485 0.001339 True native_MD 7 2 25 - CA_AB42_1 CA_AB42_4 1 0.000000e+00 7.924981e-05 ; 4.055815e-01 -7.924981e-05 6.240444e-02 2.712965e-01 0.000485 0.000883 True native_MD 7 2 27 - CA_AB42_1 CB_AB42_4 1 0.000000e+00 3.738861e-05 ; 3.809693e-01 -3.738861e-05 3.657621e-02 2.118140e-01 0.000485 0.001021 True native_MD 7 2 28 - CA_AB42_1 CG_AB42_4 1 0.000000e+00 1.419455e-05 ; 3.514297e-01 -1.419455e-05 8.793824e-03 9.634368e-02 0.000485 0.001933 True native_MD 7 2 29 - CA_AB42_1 CD1_AB42_4 1 0.000000e+00 1.421198e-05 ; 3.514657e-01 -1.421198e-05 1.634222e-02 1.052276e-01 0.000485 0.001933 True native_MD 7 2 30 - CA_AB42_1 CD2_AB42_4 1 0.000000e+00 1.421198e-05 ; 3.514657e-01 -1.421198e-05 1.634222e-02 1.052276e-01 0.000485 0.001933 True native_MD 7 2 31 + CA_AB42_1 N_AB42_4 1 0.000000e+00 8.719989e-06 ; 3.374463e-01 -8.719989e-06 4.855882e-02 1.997151e-01 0.000485 0.001339 True native_MD 7 2 25 + CA_AB42_1 CA_AB42_4 1 0.000000e+00 7.925040e-05 ; 4.055818e-01 -7.925040e-05 6.240444e-02 2.712965e-01 0.000485 0.000883 True native_MD 7 2 27 + CA_AB42_1 CB_AB42_4 1 0.000000e+00 3.738845e-05 ; 3.809691e-01 -3.738845e-05 3.657621e-02 2.118140e-01 0.000485 0.001021 True native_MD 7 2 28 + CA_AB42_1 CG_AB42_4 1 0.000000e+00 1.419448e-05 ; 3.514296e-01 -1.419448e-05 8.793824e-03 9.634368e-02 0.000485 0.001933 True native_MD 7 2 29 + CA_AB42_1 CD1_AB42_4 1 0.000000e+00 1.421191e-05 ; 3.514655e-01 -1.421191e-05 1.634222e-02 1.052276e-01 0.000485 0.001933 True native_MD 7 2 30 + CA_AB42_1 CD2_AB42_4 1 0.000000e+00 1.421191e-05 ; 3.514655e-01 -1.421191e-05 1.634222e-02 1.052276e-01 0.000485 0.001933 True native_MD 7 2 31 CA_AB42_1 CE1_AB42_4 1 1.254114e-03 4.703950e-06 ; 3.941737e-01 8.358940e-02 3.220203e-02 8.541984e-02 0.000485 0.001933 True native_MD 7 2 32 CA_AB42_1 CE2_AB42_4 1 1.254114e-03 4.703950e-06 ; 3.941737e-01 8.358940e-02 3.220203e-02 8.541984e-02 0.000485 0.001933 True native_MD 7 2 33 CA_AB42_1 CZ_AB42_4 1 1.619009e-03 6.508720e-06 ; 3.987565e-01 1.006799e-01 3.704159e-02 5.891770e-02 0.000485 0.001933 True native_MD 7 2 34 CA_AB42_1 C_AB42_4 1 1.493185e-03 7.772051e-06 ; 4.162974e-01 7.171857e-02 1.555956e-02 4.078801e-02 0.000485 0.001339 True native_MD 7 2 35 - CA_AB42_1 O_AB42_4 1 0.000000e+00 4.278947e-06 ; 3.180092e-01 -4.278947e-06 1.599596e-02 4.619995e-02 0.000485 0.001339 True native_MD 7 2 36 + CA_AB42_1 O_AB42_4 1 0.000000e+00 4.278981e-06 ; 3.180095e-01 -4.278981e-06 1.599596e-02 4.619995e-02 0.000485 0.001339 True native_MD 7 2 36 CA_AB42_1 N_AB42_5 1 2.836887e-03 2.464475e-05 ; 4.533988e-01 8.163935e-02 8.532115e-03 1.662112e-02 0.000485 0.001339 True native_MD 7 2 37 - CA_AB42_1 CA_AB42_5 1 0.000000e+00 6.700422e-05 ; 3.999480e-01 -6.700422e-05 2.408258e-02 4.617804e-02 0.000485 0.000883 True native_MD 7 2 39 + CA_AB42_1 CA_AB42_5 1 0.000000e+00 6.700472e-05 ; 3.999482e-01 -6.700472e-05 2.408258e-02 4.617804e-02 0.000485 0.000883 True native_MD 7 2 39 CA_AB42_1 CB_AB42_5 1 2.885500e-03 2.793253e-05 ; 4.616521e-01 7.451986e-02 1.711777e-02 3.146650e-02 0.000485 0.001021 True native_MD 7 2 40 CA_AB42_1 CG_AB42_5 1 3.608834e-03 4.578589e-05 ; 4.829410e-01 7.111189e-02 2.319905e-02 4.722410e-02 0.000485 0.001021 True native_MD 7 2 41 CA_AB42_1 CD_AB42_5 1 4.345373e-03 5.368269e-05 ; 4.808038e-01 8.793460e-02 3.165472e-02 3.894869e-02 0.000485 0.001021 True native_MD 7 2 42 @@ -737,7 +737,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CA_AB42_1 OG_AB42_8 1 4.023271e-04 4.612120e-07 ; 3.235094e-01 8.774009e-02 4.215515e-03 6.841766e-03 0.000485 0.001339 True native_MD 7 2 73 CA_AB42_1 C_AB42_8 1 2.096330e-03 1.289099e-05 ; 4.280269e-01 8.522616e-02 1.211396e-03 2.119667e-03 0.000485 0.001339 True native_MD 7 2 74 CA_AB42_1 N_AB42_9 1 2.448814e-03 1.395989e-05 ; 4.226566e-01 1.073915e-01 1.485303e-03 1.151446e-03 0.000485 0.001339 True native_MD 7 2 76 - CA_AB42_1 CA_AB42_9 1 0.000000e+00 3.192936e-05 ; 3.759911e-01 -3.192936e-05 2.911995e-03 6.549044e-03 0.000485 0.001021 True native_MD 7 2 78 + CA_AB42_1 CA_AB42_9 1 0.000000e+00 3.192923e-05 ; 3.759909e-01 -3.192923e-05 2.911995e-03 6.549044e-03 0.000485 0.001021 True native_MD 7 2 78 CA_AB42_1 C_AB42_9 1 1.010235e-03 2.899160e-06 ; 3.769713e-01 8.800605e-02 1.340041e-03 2.157597e-03 0.000485 0.001339 True native_MD 7 2 79 CA_AB42_1 O_AB42_9 1 2.379602e-04 1.583182e-07 ; 2.954639e-01 8.941654e-02 1.303504e-03 2.012069e-03 0.000485 0.001339 True native_MD 7 2 80 CA_AB42_1 N_AB42_10 1 2.232727e-03 1.468060e-05 ; 4.328307e-01 8.489212e-02 7.575270e-04 2.925626e-04 0.000485 0.001339 True native_MD 7 2 81 @@ -985,76 +985,76 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CA_AB42_1 C_AB42_42 1 1.899832e-03 4.263870e-06 ; 3.618385e-01 2.116247e-01 3.361241e-02 4.546821e-04 0.000485 0.001339 True native_MD 7 2 358 CA_AB42_1 O1_AB42_42 1 5.937181e-04 4.360727e-07 ; 3.003745e-01 2.020886e-01 2.526745e-02 2.609507e-04 0.000485 0.001339 True native_MD 7 2 359 CA_AB42_1 O2_AB42_42 1 5.937181e-04 4.360727e-07 ; 3.003745e-01 2.020886e-01 2.526745e-02 2.609507e-04 0.000485 0.001339 True native_MD 7 2 360 - CB_AB42_1 CG_AB42_1 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 4 - CB_AB42_1 OD1_AB42_1 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 5 - CB_AB42_1 OD2_AB42_1 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 6 - CB_AB42_1 C_AB42_1 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 7 + CB_AB42_1 CG_AB42_1 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 4 + CB_AB42_1 OD1_AB42_1 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 5 + CB_AB42_1 OD2_AB42_1 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 6 + CB_AB42_1 C_AB42_1 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 7 CB_AB42_1 O_AB42_1 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 8 - CB_AB42_1 N_AB42_2 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 9 - CB_AB42_1 CA_AB42_2 1 0.000000e+00 3.181365e-05 ; 3.758773e-01 -3.181365e-05 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 3 11 - CB_AB42_1 CB_AB42_2 1 0.000000e+00 7.432774e-06 ; 3.329847e-01 -7.432774e-06 8.940844e-01 5.393011e-01 0.000485 0.000060 True native_MD 5 3 12 - CB_AB42_1 C_AB42_2 1 0.000000e+00 5.701991e-06 ; 3.257096e-01 -5.701991e-06 8.652531e-01 7.654783e-01 0.000485 0.000060 True native_MD 5 3 13 - CB_AB42_1 O_AB42_2 1 0.000000e+00 1.471393e-06 ; 2.909415e-01 -1.471393e-06 3.983234e-01 1.283054e-01 0.000485 0.000060 True native_MD 6 3 14 - CB_AB42_1 N_AB42_3 1 0.000000e+00 4.964042e-06 ; 3.219694e-01 -4.964042e-06 2.190644e-01 5.694266e-01 0.000485 0.000060 True native_MD 6 3 15 - CB_AB42_1 CA_AB42_3 1 0.000000e+00 4.370703e-05 ; 3.859588e-01 -4.370703e-05 2.032023e-01 5.770473e-01 0.000485 0.001021 True native_MD 7 3 17 - CB_AB42_1 CB_AB42_3 1 0.000000e+00 1.962303e-05 ; 3.610429e-01 -1.962303e-05 1.079680e-01 3.789805e-01 0.000485 0.001190 True native_MD 7 3 18 - CB_AB42_1 CG_AB42_3 1 0.000000e+00 1.802363e-05 ; 3.584940e-01 -1.802363e-05 1.068783e-01 2.742952e-01 0.000485 0.001190 True native_MD 7 3 19 - CB_AB42_1 CD_AB42_3 1 0.000000e+00 6.131107e-06 ; 3.276850e-01 -6.131107e-06 1.334736e-01 1.014472e-01 0.000485 0.000060 True native_MD 7 3 20 - CB_AB42_1 OE1_AB42_3 1 0.000000e+00 1.550508e-06 ; 2.922141e-01 -1.550508e-06 8.779457e-02 3.806314e-02 0.000485 0.000060 True native_MD 7 3 21 - CB_AB42_1 OE2_AB42_3 1 0.000000e+00 1.550508e-06 ; 2.922141e-01 -1.550508e-06 8.779457e-02 3.806314e-02 0.000485 0.000060 True native_MD 7 3 22 - CB_AB42_1 C_AB42_3 1 0.000000e+00 7.124214e-06 ; 3.318102e-01 -7.124214e-06 4.621892e-02 1.709834e-01 0.000485 0.000060 True native_MD 7 3 23 + CB_AB42_1 N_AB42_2 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 9 + CB_AB42_1 CA_AB42_2 1 0.000000e+00 3.181352e-05 ; 3.758772e-01 -3.181352e-05 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 3 11 + CB_AB42_1 CB_AB42_2 1 0.000000e+00 7.432684e-06 ; 3.329843e-01 -7.432684e-06 8.940844e-01 5.393011e-01 0.000485 0.000060 True native_MD 5 3 12 + CB_AB42_1 C_AB42_2 1 0.000000e+00 5.701896e-06 ; 3.257091e-01 -5.701896e-06 8.652531e-01 7.654783e-01 0.000485 0.000060 True native_MD 5 3 13 + CB_AB42_1 O_AB42_2 1 0.000000e+00 1.471387e-06 ; 2.909414e-01 -1.471387e-06 3.983234e-01 1.283054e-01 0.000485 0.000060 True native_MD 6 3 14 + CB_AB42_1 N_AB42_3 1 0.000000e+00 4.963976e-06 ; 3.219691e-01 -4.963976e-06 2.190644e-01 5.694266e-01 0.000485 0.000060 True native_MD 6 3 15 + CB_AB42_1 CA_AB42_3 1 0.000000e+00 4.370684e-05 ; 3.859587e-01 -4.370684e-05 2.032023e-01 5.770473e-01 0.000485 0.001021 True native_MD 7 3 17 + CB_AB42_1 CB_AB42_3 1 0.000000e+00 1.962272e-05 ; 3.610425e-01 -1.962272e-05 1.079680e-01 3.789805e-01 0.000485 0.001190 True native_MD 7 3 18 + CB_AB42_1 CG_AB42_3 1 0.000000e+00 1.802335e-05 ; 3.584935e-01 -1.802335e-05 1.068783e-01 2.742952e-01 0.000485 0.001190 True native_MD 7 3 19 + CB_AB42_1 CD_AB42_3 1 0.000000e+00 6.131004e-06 ; 3.276846e-01 -6.131004e-06 1.334736e-01 1.014472e-01 0.000485 0.000060 True native_MD 7 3 20 + CB_AB42_1 OE1_AB42_3 1 0.000000e+00 1.550502e-06 ; 2.922140e-01 -1.550502e-06 8.779457e-02 3.806314e-02 0.000485 0.000060 True native_MD 7 3 21 + CB_AB42_1 OE2_AB42_3 1 0.000000e+00 1.550502e-06 ; 2.922140e-01 -1.550502e-06 8.779457e-02 3.806314e-02 0.000485 0.000060 True native_MD 7 3 22 + CB_AB42_1 C_AB42_3 1 0.000000e+00 7.124095e-06 ; 3.318097e-01 -7.124095e-06 4.621892e-02 1.709834e-01 0.000485 0.000060 True native_MD 7 3 23 CB_AB42_1 O_AB42_3 1 3.381629e-04 3.932433e-07 ; 3.242818e-01 7.269937e-02 5.150126e-02 1.165829e-01 0.000485 0.001191 True native_MD 7 3 24 - CB_AB42_1 N_AB42_4 1 0.000000e+00 4.312494e-06 ; 3.182163e-01 -4.312494e-06 1.648812e-02 1.896105e-01 0.000485 0.000060 True native_MD 7 3 25 - CB_AB42_1 CA_AB42_4 1 0.000000e+00 3.934997e-05 ; 3.825959e-01 -3.934997e-05 2.756990e-02 2.644593e-01 0.000485 0.001021 True native_MD 7 3 27 - CB_AB42_1 CB_AB42_4 1 0.000000e+00 1.845605e-05 ; 3.592030e-01 -1.845605e-05 1.743447e-02 2.128597e-01 0.000485 0.001190 True native_MD 7 3 28 - CB_AB42_1 CG_AB42_4 1 0.000000e+00 7.168933e-06 ; 3.319833e-01 -7.168933e-06 1.282266e-02 1.446473e-01 0.000485 0.002332 True native_MD 7 3 29 - CB_AB42_1 CD1_AB42_4 1 0.000000e+00 7.020528e-06 ; 3.314051e-01 -7.020528e-06 1.952643e-02 1.279210e-01 0.000485 0.002332 True native_MD 7 3 30 - CB_AB42_1 CD2_AB42_4 1 0.000000e+00 7.020528e-06 ; 3.314051e-01 -7.020528e-06 1.952643e-02 1.279210e-01 0.000485 0.002332 True native_MD 7 3 31 + CB_AB42_1 N_AB42_4 1 0.000000e+00 4.312437e-06 ; 3.182159e-01 -4.312437e-06 1.648812e-02 1.896105e-01 0.000485 0.000060 True native_MD 7 3 25 + CB_AB42_1 CA_AB42_4 1 0.000000e+00 3.934980e-05 ; 3.825958e-01 -3.934980e-05 2.756990e-02 2.644593e-01 0.000485 0.001021 True native_MD 7 3 27 + CB_AB42_1 CB_AB42_4 1 0.000000e+00 1.845576e-05 ; 3.592025e-01 -1.845576e-05 1.743447e-02 2.128597e-01 0.000485 0.001190 True native_MD 7 3 28 + CB_AB42_1 CG_AB42_4 1 0.000000e+00 7.168813e-06 ; 3.319828e-01 -7.168813e-06 1.282266e-02 1.446473e-01 0.000485 0.002332 True native_MD 7 3 29 + CB_AB42_1 CD1_AB42_4 1 0.000000e+00 7.020410e-06 ; 3.314046e-01 -7.020410e-06 1.952643e-02 1.279210e-01 0.000485 0.002332 True native_MD 7 3 30 + CB_AB42_1 CD2_AB42_4 1 0.000000e+00 7.020410e-06 ; 3.314046e-01 -7.020410e-06 1.952643e-02 1.279210e-01 0.000485 0.002332 True native_MD 7 3 31 CB_AB42_1 CE1_AB42_4 1 6.865955e-04 1.400420e-06 ; 3.561172e-01 8.415570e-02 3.389670e-02 1.066814e-01 0.000485 0.002332 True native_MD 7 3 32 CB_AB42_1 CE2_AB42_4 1 6.865955e-04 1.400420e-06 ; 3.561172e-01 8.415570e-02 3.389670e-02 1.066814e-01 0.000485 0.002332 True native_MD 7 3 33 CB_AB42_1 CZ_AB42_4 1 7.849581e-04 1.597301e-06 ; 3.559782e-01 9.643755e-02 3.858539e-02 8.408744e-02 0.000485 0.002332 True native_MD 7 3 34 - CB_AB42_1 C_AB42_4 1 0.000000e+00 6.604465e-06 ; 3.297222e-01 -6.604465e-06 9.799971e-03 5.250685e-02 0.000485 0.000060 True native_MD 7 3 35 - CB_AB42_1 O_AB42_4 1 0.000000e+00 2.086331e-06 ; 2.995323e-01 -2.086331e-06 1.017824e-02 4.524110e-02 0.000485 0.001191 True native_MD 7 3 36 - CB_AB42_1 N_AB42_5 1 0.000000e+00 3.733115e-06 ; 3.144133e-01 -3.733115e-06 2.159979e-03 1.767462e-02 0.000485 0.000060 True native_MD 7 3 37 - CB_AB42_1 CA_AB42_5 1 0.000000e+00 3.268418e-05 ; 3.767239e-01 -3.268418e-05 1.041400e-02 3.777740e-02 0.000485 0.001021 True native_MD 7 3 39 + CB_AB42_1 C_AB42_4 1 0.000000e+00 6.604354e-06 ; 3.297217e-01 -6.604354e-06 9.799971e-03 5.250685e-02 0.000485 0.000060 True native_MD 7 3 35 + CB_AB42_1 O_AB42_4 1 0.000000e+00 2.086323e-06 ; 2.995322e-01 -2.086323e-06 1.017824e-02 4.524110e-02 0.000485 0.001191 True native_MD 7 3 36 + CB_AB42_1 N_AB42_5 1 0.000000e+00 3.733066e-06 ; 3.144130e-01 -3.733066e-06 2.159979e-03 1.767462e-02 0.000485 0.000060 True native_MD 7 3 37 + CB_AB42_1 CA_AB42_5 1 0.000000e+00 3.268404e-05 ; 3.767237e-01 -3.268404e-05 1.041400e-02 3.777740e-02 0.000485 0.001021 True native_MD 7 3 39 CB_AB42_1 CB_AB42_5 1 1.336122e-03 5.204597e-06 ; 3.966646e-01 8.575220e-02 1.416444e-02 2.168973e-02 0.000485 0.001190 True native_MD 7 3 40 CB_AB42_1 CG_AB42_5 1 1.624405e-03 7.261072e-06 ; 4.058676e-01 9.085062e-02 2.389825e-02 3.141654e-02 0.000485 0.001190 True native_MD 7 3 41 CB_AB42_1 CD_AB42_5 1 1.373894e-03 4.457978e-06 ; 3.847667e-01 1.058543e-01 3.162541e-02 2.653572e-02 0.000485 0.001190 True native_MD 7 3 42 - CB_AB42_1 NE_AB42_5 1 0.000000e+00 3.612044e-06 ; 3.135507e-01 -3.612044e-06 2.821732e-02 1.079717e-02 0.000485 0.000060 True native_MD 7 3 43 - CB_AB42_1 CZ_AB42_5 1 0.000000e+00 6.138384e-06 ; 3.277174e-01 -6.138384e-06 4.451680e-02 1.363926e-02 0.000485 0.000060 True native_MD 7 3 44 - CB_AB42_1 NH1_AB42_5 1 0.000000e+00 3.522865e-06 ; 3.128982e-01 -3.522865e-06 5.489477e-02 1.321530e-02 0.000485 0.000060 True native_MD 7 3 45 - CB_AB42_1 NH2_AB42_5 1 0.000000e+00 3.522865e-06 ; 3.128982e-01 -3.522865e-06 5.489477e-02 1.321530e-02 0.000485 0.000060 True native_MD 7 3 46 - CB_AB42_1 C_AB42_5 1 0.000000e+00 6.336505e-06 ; 3.285861e-01 -6.336505e-06 3.817970e-03 4.219557e-03 0.000485 0.000060 True native_MD 7 3 47 + CB_AB42_1 NE_AB42_5 1 0.000000e+00 3.611996e-06 ; 3.135503e-01 -3.611996e-06 2.821732e-02 1.079717e-02 0.000485 0.000060 True native_MD 7 3 43 + CB_AB42_1 CZ_AB42_5 1 0.000000e+00 6.138281e-06 ; 3.277169e-01 -6.138281e-06 4.451680e-02 1.363926e-02 0.000485 0.000060 True native_MD 7 3 44 + CB_AB42_1 NH1_AB42_5 1 0.000000e+00 3.522818e-06 ; 3.128978e-01 -3.522818e-06 5.489477e-02 1.321530e-02 0.000485 0.000060 True native_MD 7 3 45 + CB_AB42_1 NH2_AB42_5 1 0.000000e+00 3.522818e-06 ; 3.128978e-01 -3.522818e-06 5.489477e-02 1.321530e-02 0.000485 0.000060 True native_MD 7 3 46 + CB_AB42_1 C_AB42_5 1 0.000000e+00 6.336398e-06 ; 3.285856e-01 -6.336398e-06 3.817970e-03 4.219557e-03 0.000485 0.000060 True native_MD 7 3 47 CB_AB42_1 O_AB42_5 1 2.655432e-04 1.862805e-07 ; 2.980840e-01 9.463309e-02 3.870550e-03 4.544901e-03 0.000485 0.001191 True native_MD 7 3 48 - CB_AB42_1 N_AB42_6 1 0.000000e+00 3.675641e-06 ; 3.140071e-01 -3.675641e-06 2.247298e-03 2.127507e-03 0.000485 0.000060 True native_MD 7 3 49 + CB_AB42_1 N_AB42_6 1 0.000000e+00 3.675593e-06 ; 3.140067e-01 -3.675593e-06 2.247298e-03 2.127507e-03 0.000485 0.000060 True native_MD 7 3 49 CB_AB42_1 CA_AB42_6 1 1.794958e-03 1.086032e-05 ; 4.268723e-01 7.416625e-02 6.697198e-03 1.244200e-02 0.000485 0.001021 True native_MD 7 3 51 - CB_AB42_1 CB_AB42_6 1 0.000000e+00 1.560751e-05 ; 3.542198e-01 -1.560751e-05 4.515172e-03 1.543652e-02 0.000485 0.001190 True native_MD 7 3 52 - CB_AB42_1 CG_AB42_6 1 0.000000e+00 6.382689e-06 ; 3.287850e-01 -6.382689e-06 3.705384e-03 1.139851e-02 0.000485 0.000060 True native_MD 7 3 53 - CB_AB42_1 ND1_AB42_6 1 0.000000e+00 4.865838e-06 ; 3.214337e-01 -4.865838e-06 7.646913e-03 1.663705e-02 0.000485 0.000060 True native_MD 7 3 54 + CB_AB42_1 CB_AB42_6 1 0.000000e+00 1.560727e-05 ; 3.542193e-01 -1.560727e-05 4.515172e-03 1.543652e-02 0.000485 0.001190 True native_MD 7 3 52 + CB_AB42_1 CG_AB42_6 1 0.000000e+00 6.382582e-06 ; 3.287845e-01 -6.382582e-06 3.705384e-03 1.139851e-02 0.000485 0.000060 True native_MD 7 3 53 + CB_AB42_1 ND1_AB42_6 1 0.000000e+00 4.865753e-06 ; 3.214333e-01 -4.865753e-06 7.646913e-03 1.663705e-02 0.000485 0.000060 True native_MD 7 3 54 CB_AB42_1 CD2_AB42_6 1 5.502143e-04 9.632015e-07 ; 3.471610e-01 7.857540e-02 4.667304e-03 1.735892e-02 0.000485 0.002332 True native_MD 7 3 55 CB_AB42_1 CE1_AB42_6 1 4.567848e-04 6.528932e-07 ; 3.356256e-01 7.989529e-02 6.921344e-03 2.474531e-02 0.000485 0.002332 True native_MD 7 3 56 - CB_AB42_1 NE2_AB42_6 1 0.000000e+00 4.905109e-06 ; 3.216491e-01 -4.905109e-06 5.294480e-03 2.242811e-02 0.000485 0.000060 True native_MD 7 3 57 - CB_AB42_1 C_AB42_6 1 0.000000e+00 6.329330e-06 ; 3.285550e-01 -6.329330e-06 3.104260e-03 2.373142e-03 0.000485 0.000060 True native_MD 7 3 58 + CB_AB42_1 NE2_AB42_6 1 0.000000e+00 4.905024e-06 ; 3.216487e-01 -4.905024e-06 5.294480e-03 2.242811e-02 0.000485 0.000060 True native_MD 7 3 57 + CB_AB42_1 C_AB42_6 1 0.000000e+00 6.329224e-06 ; 3.285546e-01 -6.329224e-06 3.104260e-03 2.373142e-03 0.000485 0.000060 True native_MD 7 3 58 CB_AB42_1 O_AB42_6 1 3.927996e-04 4.015941e-07 ; 3.173969e-01 9.604942e-02 2.878251e-03 3.239462e-03 0.000485 0.001191 True native_MD 7 3 59 - CB_AB42_1 N_AB42_7 1 0.000000e+00 3.669753e-06 ; 3.139651e-01 -3.669753e-06 2.687416e-03 9.658436e-04 0.000485 0.000060 True native_MD 7 3 60 + CB_AB42_1 N_AB42_7 1 0.000000e+00 3.669705e-06 ; 3.139648e-01 -3.669705e-06 2.687416e-03 9.658436e-04 0.000485 0.000060 True native_MD 7 3 60 CB_AB42_1 CA_AB42_7 1 1.245387e-03 4.529995e-06 ; 3.921620e-01 8.559555e-02 5.911775e-03 7.801392e-03 0.000485 0.001021 True native_MD 7 3 62 CB_AB42_1 CB_AB42_7 1 1.240197e-03 4.273913e-06 ; 3.886474e-01 8.996963e-02 7.464810e-03 1.007537e-02 0.000485 0.001190 True native_MD 7 3 63 - CB_AB42_1 CG_AB42_7 1 0.000000e+00 6.321249e-06 ; 3.285201e-01 -6.321249e-06 1.032553e-02 8.318636e-03 0.000485 0.000060 True native_MD 7 3 64 - CB_AB42_1 OD1_AB42_7 1 0.000000e+00 1.627899e-06 ; 2.934026e-01 -1.627899e-06 7.741240e-03 5.441130e-03 0.000485 0.000060 True native_MD 7 3 65 - CB_AB42_1 OD2_AB42_7 1 0.000000e+00 1.627899e-06 ; 2.934026e-01 -1.627899e-06 7.741240e-03 5.441130e-03 0.000485 0.000060 True native_MD 7 3 66 - CB_AB42_1 C_AB42_7 1 0.000000e+00 6.332775e-06 ; 3.285699e-01 -6.332775e-06 1.786015e-03 1.598718e-03 0.000485 0.000060 True native_MD 7 3 67 + CB_AB42_1 CG_AB42_7 1 0.000000e+00 6.321143e-06 ; 3.285196e-01 -6.321143e-06 1.032553e-02 8.318636e-03 0.000485 0.000060 True native_MD 7 3 64 + CB_AB42_1 OD1_AB42_7 1 0.000000e+00 1.627893e-06 ; 2.934025e-01 -1.627893e-06 7.741240e-03 5.441130e-03 0.000485 0.000060 True native_MD 7 3 65 + CB_AB42_1 OD2_AB42_7 1 0.000000e+00 1.627893e-06 ; 2.934025e-01 -1.627893e-06 7.741240e-03 5.441130e-03 0.000485 0.000060 True native_MD 7 3 66 + CB_AB42_1 C_AB42_7 1 0.000000e+00 6.332668e-06 ; 3.285695e-01 -6.332668e-06 1.786015e-03 1.598718e-03 0.000485 0.000060 True native_MD 7 3 67 CB_AB42_1 O_AB42_7 1 4.479717e-04 5.631169e-07 ; 3.285171e-01 8.909278e-02 1.235534e-03 1.712427e-03 0.000485 0.001191 True native_MD 7 3 68 - CB_AB42_1 N_AB42_8 1 0.000000e+00 3.675507e-06 ; 3.140061e-01 -3.675507e-06 9.271190e-04 7.708489e-04 0.000485 0.000060 True native_MD 7 3 69 + CB_AB42_1 N_AB42_8 1 0.000000e+00 3.675459e-06 ; 3.140058e-01 -3.675459e-06 9.271190e-04 7.708489e-04 0.000485 0.000060 True native_MD 7 3 69 CB_AB42_1 CA_AB42_8 1 1.918343e-03 1.254880e-05 ; 4.324601e-01 7.331455e-02 3.395707e-03 6.471374e-03 0.000485 0.001021 True native_MD 7 3 71 CB_AB42_1 CB_AB42_8 1 7.474101e-04 1.842580e-06 ; 3.675456e-01 7.579342e-02 3.667478e-03 7.565771e-03 0.000485 0.001190 True native_MD 7 3 72 - CB_AB42_1 OG_AB42_8 1 0.000000e+00 2.787549e-06 ; 3.068529e-01 -2.787549e-06 3.286546e-03 4.739056e-03 0.000485 0.000060 True native_MD 7 3 73 - CB_AB42_1 C_AB42_8 1 0.000000e+00 6.339277e-06 ; 3.285980e-01 -6.339277e-06 7.068405e-04 1.546130e-03 0.000485 0.000060 True native_MD 7 3 74 + CB_AB42_1 OG_AB42_8 1 0.000000e+00 2.787507e-06 ; 3.068525e-01 -2.787507e-06 3.286546e-03 4.739056e-03 0.000485 0.000060 True native_MD 7 3 73 + CB_AB42_1 C_AB42_8 1 0.000000e+00 6.339171e-06 ; 3.285976e-01 -6.339171e-06 7.068405e-04 1.546130e-03 0.000485 0.000060 True native_MD 7 3 74 CB_AB42_1 O_AB42_8 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 3.616169e-04 1.609642e-03 0.000485 0.001191 True native_MD 7 3 75 - CB_AB42_1 N_AB42_9 1 0.000000e+00 3.677499e-06 ; 3.140203e-01 -3.677499e-06 8.574340e-04 1.243088e-03 0.000485 0.000060 True native_MD 7 3 76 - CB_AB42_1 CA_AB42_9 1 0.000000e+00 1.548630e-05 ; 3.539897e-01 -1.548630e-05 1.713157e-03 4.783226e-03 0.000485 0.001190 True native_MD 7 3 78 - CB_AB42_1 C_AB42_9 1 0.000000e+00 6.334726e-06 ; 3.285784e-01 -6.334726e-06 1.244595e-03 1.365294e-03 0.000485 0.000060 True native_MD 7 3 79 + CB_AB42_1 N_AB42_9 1 0.000000e+00 3.677451e-06 ; 3.140200e-01 -3.677451e-06 8.574340e-04 1.243088e-03 0.000485 0.000060 True native_MD 7 3 76 + CB_AB42_1 CA_AB42_9 1 0.000000e+00 1.548605e-05 ; 3.539892e-01 -1.548605e-05 1.713157e-03 4.783226e-03 0.000485 0.001190 True native_MD 7 3 78 + CB_AB42_1 C_AB42_9 1 0.000000e+00 6.334619e-06 ; 3.285779e-01 -6.334619e-06 1.244595e-03 1.365294e-03 0.000485 0.000060 True native_MD 7 3 79 CB_AB42_1 O_AB42_9 1 3.072474e-04 2.373688e-07 ; 3.029163e-01 9.942435e-02 1.170223e-03 1.118940e-03 0.000485 0.001191 True native_MD 7 3 80 - CB_AB42_1 N_AB42_10 1 0.000000e+00 3.675232e-06 ; 3.140042e-01 -3.675232e-06 5.440012e-04 3.129726e-04 0.000485 0.000060 True native_MD 7 3 81 + CB_AB42_1 N_AB42_10 1 0.000000e+00 3.675184e-06 ; 3.140038e-01 -3.675184e-06 5.440012e-04 3.129726e-04 0.000485 0.000060 True native_MD 7 3 81 CB_AB42_1 CA_AB42_10 1 2.546179e-03 1.562151e-05 ; 4.278639e-01 1.037517e-01 1.668193e-03 1.278591e-03 0.000485 0.001021 True native_MD 7 3 83 CB_AB42_1 CB_AB42_10 1 1.090564e-03 3.266907e-06 ; 3.796770e-01 9.101346e-02 1.339275e-03 1.752047e-03 0.000485 0.001190 True native_MD 7 3 84 CB_AB42_1 CG_AB42_10 1 1.252904e-03 3.846533e-06 ; 3.812343e-01 1.020249e-01 1.264933e-03 1.278111e-03 0.000485 0.002332 True native_MD 7 3 85 @@ -1063,52 +1063,52 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_1 CE1_AB42_10 1 9.403636e-04 1.929421e-06 ; 3.564691e-01 1.145789e-01 3.008729e-03 3.809904e-03 0.000485 0.002332 True native_MD 7 3 88 CB_AB42_1 CE2_AB42_10 1 9.403636e-04 1.929421e-06 ; 3.564691e-01 1.145789e-01 3.008729e-03 3.809904e-03 0.000485 0.002332 True native_MD 7 3 89 CB_AB42_1 CZ_AB42_10 1 2.097071e-03 8.572647e-06 ; 3.998683e-01 1.282482e-01 4.719646e-03 3.969957e-03 0.000485 0.002332 True native_MD 7 3 90 - CB_AB42_1 OH_AB42_10 1 0.000000e+00 2.781801e-06 ; 3.068001e-01 -2.781801e-06 5.077361e-03 4.464759e-03 0.000485 0.000060 True native_MD 7 3 91 - CB_AB42_1 C_AB42_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 92 + CB_AB42_1 OH_AB42_10 1 0.000000e+00 2.781759e-06 ; 3.067997e-01 -2.781759e-06 5.077361e-03 4.464759e-03 0.000485 0.000060 True native_MD 7 3 91 + CB_AB42_1 C_AB42_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 92 CB_AB42_1 O_AB42_10 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 2.737918e-04 3.788437e-04 0.000485 0.001191 True native_MD 7 3 93 - CB_AB42_1 N_AB42_11 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 94 + CB_AB42_1 N_AB42_11 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 94 CB_AB42_1 CA_AB42_11 1 2.133292e-03 1.204202e-05 ; 4.219635e-01 9.448024e-02 1.009280e-03 7.961913e-04 0.000485 0.001021 True native_MD 7 3 96 CB_AB42_1 CB_AB42_11 1 2.307664e-03 1.083132e-05 ; 4.091835e-01 1.229146e-01 2.363546e-03 8.483556e-04 0.000485 0.001190 True native_MD 7 3 97 CB_AB42_1 CG_AB42_11 1 3.054737e-03 1.577278e-05 ; 4.157406e-01 1.479039e-01 5.427391e-03 1.293843e-03 0.000485 0.001190 True native_MD 7 3 98 - CB_AB42_1 CD_AB42_11 1 0.000000e+00 6.290733e-06 ; 3.283876e-01 -6.290733e-06 8.291019e-03 1.466149e-03 0.000485 0.000060 True native_MD 7 3 99 + CB_AB42_1 CD_AB42_11 1 0.000000e+00 6.290627e-06 ; 3.283872e-01 -6.290627e-06 8.291019e-03 1.466149e-03 0.000485 0.000060 True native_MD 7 3 99 CB_AB42_1 OE1_AB42_11 1 2.645144e-04 2.492983e-07 ; 3.131206e-01 7.016483e-02 7.001805e-03 8.576323e-04 0.000485 0.000060 True native_MD 7 3 100 CB_AB42_1 OE2_AB42_11 1 2.645144e-04 2.492983e-07 ; 3.131206e-01 7.016483e-02 7.001805e-03 8.576323e-04 0.000485 0.000060 True native_MD 7 3 101 - CB_AB42_1 C_AB42_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 102 + CB_AB42_1 C_AB42_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 102 CB_AB42_1 O_AB42_11 1 2.875146e-04 2.689326e-07 ; 3.127259e-01 7.684516e-02 5.954076e-04 2.061978e-04 0.000485 0.001191 True native_MD 7 3 103 - CB_AB42_1 N_AB42_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 104 + CB_AB42_1 N_AB42_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 104 CB_AB42_1 CA_AB42_12 1 4.589610e-03 4.709625e-05 ; 4.661601e-01 1.118164e-01 1.695600e-03 5.674179e-04 0.000485 0.001021 True native_MD 7 3 106 CB_AB42_1 CB_AB42_12 1 1.930081e-03 8.848842e-06 ; 4.075853e-01 1.052458e-01 2.192071e-03 1.606651e-03 0.000485 0.001021 True native_MD 7 3 107 CB_AB42_1 CG1_AB42_12 1 1.207334e-03 3.122296e-06 ; 3.704883e-01 1.167134e-01 1.963219e-03 1.422383e-03 0.000485 0.002332 True native_MD 7 3 108 CB_AB42_1 CG2_AB42_12 1 9.185089e-04 1.855296e-06 ; 3.555399e-01 1.136825e-01 1.792986e-03 1.751804e-03 0.000485 0.002332 True native_MD 7 3 109 CB_AB42_1 C_AB42_12 1 1.321502e-03 6.035525e-06 ; 4.073251e-01 7.233701e-02 8.946251e-04 1.026836e-04 0.000485 0.000060 True native_MD 7 3 110 CB_AB42_1 O_AB42_12 1 3.873311e-04 4.365106e-07 ; 3.225909e-01 8.592312e-02 7.812636e-04 3.437387e-04 0.000485 0.001191 True native_MD 7 3 111 - CB_AB42_1 N_AB42_13 1 0.000000e+00 3.673915e-06 ; 3.139948e-01 -3.673915e-06 6.795014e-04 9.008881e-05 0.000485 0.000060 True native_MD 7 3 112 + CB_AB42_1 N_AB42_13 1 0.000000e+00 3.673867e-06 ; 3.139944e-01 -3.673867e-06 6.795014e-04 9.008881e-05 0.000485 0.000060 True native_MD 7 3 112 CB_AB42_1 CA_AB42_13 1 2.935289e-03 1.511087e-05 ; 4.155339e-01 1.425451e-01 4.252995e-03 9.581944e-04 0.000485 0.001021 True native_MD 7 3 114 CB_AB42_1 CB_AB42_13 1 1.379435e-03 3.807893e-06 ; 3.745392e-01 1.249274e-01 3.685308e-03 1.747355e-03 0.000485 0.001190 True native_MD 7 3 115 - CB_AB42_1 CG_AB42_13 1 0.000000e+00 6.316736e-06 ; 3.285005e-01 -6.316736e-06 3.790433e-03 1.070920e-03 0.000485 0.000060 True native_MD 7 3 116 - CB_AB42_1 ND1_AB42_13 1 0.000000e+00 4.810491e-06 ; 3.211275e-01 -4.810491e-06 3.907604e-03 1.420860e-03 0.000485 0.000060 True native_MD 7 3 117 + CB_AB42_1 CG_AB42_13 1 0.000000e+00 6.316630e-06 ; 3.285001e-01 -6.316630e-06 3.790433e-03 1.070920e-03 0.000485 0.000060 True native_MD 7 3 116 + CB_AB42_1 ND1_AB42_13 1 0.000000e+00 4.810407e-06 ; 3.211270e-01 -4.810407e-06 3.907604e-03 1.420860e-03 0.000485 0.000060 True native_MD 7 3 117 CB_AB42_1 CD2_AB42_13 1 9.469624e-04 1.678632e-06 ; 3.478861e-01 1.335518e-01 3.249468e-03 1.910291e-03 0.000485 0.002332 True native_MD 7 3 118 CB_AB42_1 CE1_AB42_13 1 9.480313e-04 1.690545e-06 ; 3.482309e-01 1.329103e-01 3.863496e-03 2.826601e-03 0.000485 0.002332 True native_MD 7 3 119 - CB_AB42_1 NE2_AB42_13 1 0.000000e+00 4.817760e-06 ; 3.211679e-01 -4.817760e-06 3.848037e-03 2.868771e-03 0.000485 0.000060 True native_MD 7 3 120 + CB_AB42_1 NE2_AB42_13 1 0.000000e+00 4.817677e-06 ; 3.211674e-01 -4.817677e-06 3.848037e-03 2.868771e-03 0.000485 0.000060 True native_MD 7 3 120 CB_AB42_1 C_AB42_13 1 1.542654e-03 5.673284e-06 ; 3.928810e-01 1.048679e-01 2.746738e-03 1.190926e-04 0.000485 0.000060 True native_MD 7 3 121 CB_AB42_1 O_AB42_13 1 4.306700e-04 3.572379e-07 ; 3.065271e-01 1.297991e-01 2.904282e-03 2.287457e-04 0.000485 0.001191 True native_MD 7 3 122 CB_AB42_1 N_AB42_14 1 1.269772e-03 4.037766e-06 ; 3.834740e-01 9.982751e-02 1.184427e-03 5.708097e-05 0.000485 0.000060 True native_MD 7 3 123 CB_AB42_1 CA_AB42_14 1 2.383448e-03 1.001767e-05 ; 4.017232e-01 1.417700e-01 4.155481e-03 8.945548e-04 0.000485 0.001021 True native_MD 7 3 125 CB_AB42_1 CB_AB42_14 1 2.528345e-03 1.138558e-05 ; 4.063683e-01 1.403645e-01 4.648000e-03 1.388490e-03 0.000485 0.001190 True native_MD 7 3 126 - CB_AB42_1 CG_AB42_14 1 0.000000e+00 6.312278e-06 ; 3.284812e-01 -6.312278e-06 4.315028e-03 8.917869e-04 0.000485 0.000060 True native_MD 7 3 127 - CB_AB42_1 ND1_AB42_14 1 0.000000e+00 4.802358e-06 ; 3.210822e-01 -4.802358e-06 5.687862e-03 1.514640e-03 0.000485 0.000060 True native_MD 7 3 128 + CB_AB42_1 CG_AB42_14 1 0.000000e+00 6.312172e-06 ; 3.284807e-01 -6.312172e-06 4.315028e-03 8.917869e-04 0.000485 0.000060 True native_MD 7 3 127 + CB_AB42_1 ND1_AB42_14 1 0.000000e+00 4.802274e-06 ; 3.210817e-01 -4.802274e-06 5.687862e-03 1.514640e-03 0.000485 0.000060 True native_MD 7 3 128 CB_AB42_1 CD2_AB42_14 1 1.258782e-03 2.701253e-06 ; 3.591444e-01 1.466478e-01 4.808573e-03 1.946650e-03 0.000485 0.002332 True native_MD 7 3 129 CB_AB42_1 CE1_AB42_14 1 1.089777e-03 1.898786e-06 ; 3.468883e-01 1.563650e-01 8.291506e-03 3.006660e-03 0.000485 0.002332 True native_MD 7 3 130 - CB_AB42_1 NE2_AB42_14 1 0.000000e+00 4.800372e-06 ; 3.210711e-01 -4.800372e-06 7.338394e-03 2.753468e-03 0.000485 0.000060 True native_MD 7 3 131 - CB_AB42_1 C_AB42_14 1 0.000000e+00 6.325742e-06 ; 3.285395e-01 -6.325742e-06 1.506111e-03 2.085055e-04 0.000485 0.000060 True native_MD 7 3 132 + CB_AB42_1 NE2_AB42_14 1 0.000000e+00 4.800289e-06 ; 3.210707e-01 -4.800289e-06 7.338394e-03 2.753468e-03 0.000485 0.000060 True native_MD 7 3 131 + CB_AB42_1 C_AB42_14 1 0.000000e+00 6.325636e-06 ; 3.285391e-01 -6.325636e-06 1.506111e-03 2.085055e-04 0.000485 0.000060 True native_MD 7 3 132 CB_AB42_1 O_AB42_14 1 6.079935e-04 9.712910e-07 ; 3.419073e-01 9.514554e-02 1.029576e-03 2.923819e-04 0.000485 0.001191 True native_MD 7 3 133 CB_AB42_1 N_AB42_15 1 1.155949e-03 3.075920e-06 ; 3.722540e-01 1.086032e-01 1.540148e-03 5.029000e-05 0.000485 0.000060 True native_MD 7 3 134 CB_AB42_1 CA_AB42_15 1 2.807675e-03 1.446358e-05 ; 4.155802e-01 1.362567e-01 3.523433e-03 6.897813e-04 0.000485 0.001021 True native_MD 7 3 136 CB_AB42_1 CB_AB42_15 1 1.415257e-03 4.053260e-06 ; 3.768439e-01 1.235396e-01 2.408169e-03 6.770945e-04 0.000485 0.001190 True native_MD 7 3 137 CB_AB42_1 CG_AB42_15 1 2.730982e-03 1.396513e-05 ; 4.150697e-01 1.335158e-01 3.245961e-03 9.581230e-04 0.000485 0.001190 True native_MD 7 3 138 - CB_AB42_1 CD_AB42_15 1 0.000000e+00 6.323110e-06 ; 3.285281e-01 -6.323110e-06 3.023099e-03 1.309922e-03 0.000485 0.000060 True native_MD 7 3 139 + CB_AB42_1 CD_AB42_15 1 0.000000e+00 6.323004e-06 ; 3.285277e-01 -6.323004e-06 3.023099e-03 1.309922e-03 0.000485 0.000060 True native_MD 7 3 139 CB_AB42_1 OE1_AB42_15 1 3.998567e-04 3.323153e-07 ; 3.066251e-01 1.202814e-01 2.184443e-03 6.319191e-04 0.000485 0.001191 True native_MD 7 3 140 - CB_AB42_1 NE2_AB42_15 1 0.000000e+00 6.324178e-06 ; 3.285328e-01 -6.324178e-06 3.184780e-03 2.104684e-03 0.000485 0.000060 True native_MD 7 3 141 + CB_AB42_1 NE2_AB42_15 1 0.000000e+00 6.324142e-06 ; 3.285326e-01 -6.324142e-06 3.184780e-03 2.104684e-03 0.000485 0.000060 True native_MD 7 3 141 CB_AB42_1 C_AB42_15 1 2.065128e-03 9.359370e-06 ; 4.068022e-01 1.139167e-01 1.805598e-03 2.147308e-06 0.000485 0.000060 True native_MD 7 3 142 CB_AB42_1 O_AB42_15 1 3.978624e-04 3.407564e-07 ; 3.081663e-01 1.161347e-01 1.929510e-03 7.533279e-06 0.000485 0.001191 True native_MD 7 3 143 CB_AB42_1 N_AB42_16 1 1.347240e-03 5.739533e-06 ; 4.026292e-01 7.905936e-02 6.361970e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 3 144 @@ -1254,7 +1254,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_1 CA_AB42_35 1 2.920673e-03 1.576581e-05 ; 4.188311e-01 1.352663e-01 3.420534e-03 1.403981e-04 0.000485 0.001021 True native_MD 7 3 304 CB_AB42_1 CB_AB42_35 1 2.060997e-03 8.714983e-06 ; 4.021285e-01 1.218507e-01 2.289478e-03 1.272501e-04 0.000485 0.001190 True native_MD 7 3 305 CB_AB42_1 CG_AB42_35 1 2.149853e-03 8.775384e-06 ; 3.997694e-01 1.316714e-01 3.071654e-03 2.780847e-04 0.000485 0.001190 True native_MD 7 3 306 - CB_AB42_1 SD_AB42_35 1 0.000000e+00 6.467871e-06 ; 3.291484e-01 -6.467871e-06 3.091086e-03 4.365641e-04 0.000485 0.000060 True native_MD 7 3 307 + CB_AB42_1 SD_AB42_35 1 0.000000e+00 6.467860e-06 ; 3.291484e-01 -6.467860e-06 3.091086e-03 4.365641e-04 0.000485 0.000060 True native_MD 7 3 307 CB_AB42_1 CE_AB42_35 1 1.198810e-03 2.501521e-06 ; 3.574722e-01 1.436272e-01 4.392969e-03 4.743256e-04 0.000485 0.002332 True native_MD 7 3 308 CB_AB42_1 C_AB42_35 1 1.342463e-03 4.623028e-06 ; 3.886011e-01 9.745814e-02 1.760940e-03 9.530456e-05 0.000485 0.000060 True native_MD 7 3 309 CB_AB42_1 O_AB42_35 1 3.665354e-04 2.889731e-07 ; 3.039417e-01 1.162290e-01 1.934962e-03 1.689383e-04 0.000485 0.001191 True native_MD 7 3 310 @@ -1267,7 +1267,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_1 O_AB42_36 1 8.747305e-04 1.901517e-06 ; 3.599186e-01 1.005978e-01 1.212046e-03 1.999024e-04 0.000485 0.001191 True native_MD 7 3 318 CB_AB42_1 N_AB42_37 1 5.136821e-04 7.117083e-07 ; 3.338883e-01 9.268872e-02 1.455371e-03 9.085093e-05 0.000485 0.000060 True native_MD 7 3 319 CB_AB42_1 CA_AB42_37 1 1.574304e-03 4.599633e-06 ; 3.780992e-01 1.347082e-01 3.363887e-03 5.456296e-04 0.000485 0.001190 True native_MD 7 3 321 - CB_AB42_1 C_AB42_37 1 0.000000e+00 6.321100e-06 ; 3.285194e-01 -6.321100e-06 2.341187e-03 3.107407e-04 0.000485 0.000060 True native_MD 7 3 322 + CB_AB42_1 C_AB42_37 1 0.000000e+00 6.320994e-06 ; 3.285190e-01 -6.320994e-06 2.341187e-03 3.107407e-04 0.000485 0.000060 True native_MD 7 3 322 CB_AB42_1 O_AB42_37 1 7.214700e-04 1.105744e-06 ; 3.395518e-01 1.176853e-01 2.021156e-03 2.411014e-04 0.000485 0.001191 True native_MD 7 3 323 CB_AB42_1 N_AB42_38 1 7.784084e-04 1.992399e-06 ; 3.698521e-01 7.602889e-02 1.559826e-03 1.603076e-04 0.000485 0.000060 True native_MD 7 3 324 CB_AB42_1 CA_AB42_38 1 1.259558e-03 2.987228e-06 ; 3.651812e-01 1.327724e-01 3.174551e-03 6.288156e-04 0.000485 0.001190 True native_MD 7 3 326 @@ -1301,37 +1301,37 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_1 C_AB42_42 1 1.486269e-03 3.119624e-06 ; 3.578223e-01 1.770243e-01 2.001731e-02 1.001568e-04 0.000485 0.000060 True native_MD 7 3 358 CB_AB42_1 O1_AB42_42 1 5.559883e-04 4.465087e-07 ; 3.048789e-01 1.730778e-01 1.508128e-02 8.491876e-05 0.000485 0.000060 True native_MD 7 3 359 CB_AB42_1 O2_AB42_42 1 5.559883e-04 4.465087e-07 ; 3.048789e-01 1.730778e-01 1.508128e-02 8.491876e-05 0.000485 0.000060 True native_MD 7 3 360 - CG_AB42_1 O_AB42_1 1 0.000000e+00 7.331660e-07 ; 2.745334e-01 -7.331660e-07 4.505343e-01 3.371325e-01 0.000485 0.000060 True native_MD 4 4 8 - CG_AB42_1 N_AB42_2 1 0.000000e+00 1.277085e-06 ; 2.875279e-01 -1.277085e-06 9.917567e-01 8.385464e-01 0.000485 0.000060 True native_MD 4 4 9 - CG_AB42_1 CA_AB42_2 1 0.000000e+00 7.614104e-06 ; 3.336542e-01 -7.614104e-06 6.325405e-01 2.159134e-01 0.000485 0.000060 True native_MD 5 4 11 + CG_AB42_1 O_AB42_1 1 0.000000e+00 7.331627e-07 ; 2.745333e-01 -7.331627e-07 4.505343e-01 3.371325e-01 0.000485 0.000060 True native_MD 4 4 8 + CG_AB42_1 N_AB42_2 1 0.000000e+00 1.277067e-06 ; 2.875276e-01 -1.277067e-06 9.917567e-01 8.385464e-01 0.000485 0.000060 True native_MD 4 4 9 + CG_AB42_1 CA_AB42_2 1 0.000000e+00 7.614065e-06 ; 3.336540e-01 -7.614065e-06 6.325405e-01 2.159134e-01 0.000485 0.000060 True native_MD 5 4 11 CG_AB42_1 CB_AB42_2 1 1.716949e-03 8.083393e-06 ; 4.093920e-01 9.117196e-02 3.661102e-01 2.391555e-02 0.000485 0.000060 True native_MD 6 4 12 - CG_AB42_1 C_AB42_2 1 0.000000e+00 2.265040e-06 ; 3.015907e-01 -2.265040e-06 1.792147e-01 5.086337e-02 0.000485 0.000060 True native_MD 6 4 13 + CG_AB42_1 C_AB42_2 1 0.000000e+00 2.265000e-06 ; 3.015903e-01 -2.265000e-06 1.792147e-01 5.086337e-02 0.000485 0.000060 True native_MD 6 4 13 CG_AB42_1 O_AB42_2 1 1.197636e-03 1.973292e-06 ; 3.436722e-01 1.817182e-01 1.235308e-01 1.948188e-02 0.000485 0.002166 True native_MD 7 4 14 CG_AB42_1 N_AB42_3 1 6.338280e-04 8.921531e-07 ; 3.347686e-01 1.125754e-01 4.883137e-02 6.097834e-02 0.000485 0.002166 True native_MD 7 4 15 CG_AB42_1 CA_AB42_3 1 1.776282e-03 8.717381e-06 ; 4.122358e-01 9.048530e-02 4.973355e-02 7.434979e-02 0.000485 0.001339 True native_MD 7 4 17 - CG_AB42_1 CB_AB42_3 1 0.000000e+00 6.539518e-06 ; 3.294507e-01 -6.539518e-06 4.041663e-02 7.286973e-02 0.000485 0.000060 True native_MD 7 4 18 - CG_AB42_1 CG_AB42_3 1 0.000000e+00 6.641139e-06 ; 3.298744e-01 -6.641139e-06 4.061221e-02 8.910926e-02 0.000485 0.000060 True native_MD 7 4 19 + CG_AB42_1 CB_AB42_3 1 0.000000e+00 6.539408e-06 ; 3.294503e-01 -6.539408e-06 4.041663e-02 7.286973e-02 0.000485 0.000060 True native_MD 7 4 18 + CG_AB42_1 CG_AB42_3 1 0.000000e+00 6.641028e-06 ; 3.298739e-01 -6.641028e-06 4.061221e-02 8.910926e-02 0.000485 0.000060 True native_MD 7 4 19 CG_AB42_1 CD_AB42_3 1 1.610065e-03 7.291321e-06 ; 4.067496e-01 8.888336e-02 1.262555e-02 3.203598e-02 0.000485 0.002166 True native_MD 7 4 20 CG_AB42_1 OE1_AB42_3 1 1.007318e-03 2.401163e-06 ; 3.654903e-01 1.056456e-01 1.069759e-02 1.643746e-02 0.000485 0.002166 True native_MD 7 4 21 CG_AB42_1 OE2_AB42_3 1 1.007318e-03 2.401163e-06 ; 3.654903e-01 1.056456e-01 1.069759e-02 1.643746e-02 0.000485 0.002166 True native_MD 7 4 22 CG_AB42_1 C_AB42_3 1 2.013852e-03 9.025396e-06 ; 4.060440e-01 1.123386e-01 1.289708e-02 1.621958e-02 0.000485 0.002166 True native_MD 7 4 23 CG_AB42_1 O_AB42_3 1 6.939208e-04 1.135257e-06 ; 3.432659e-01 1.060390e-01 1.479028e-02 2.246000e-02 0.000485 0.002166 True native_MD 7 4 24 CG_AB42_1 N_AB42_4 1 3.454909e-04 3.536130e-07 ; 3.174548e-01 8.438883e-02 7.162983e-03 2.079227e-02 0.000485 0.002166 True native_MD 7 4 25 - CG_AB42_1 CA_AB42_4 1 0.000000e+00 1.365955e-05 ; 3.503064e-01 -1.365955e-05 1.068309e-02 5.724245e-02 0.000485 0.001339 True native_MD 7 4 27 - CG_AB42_1 CB_AB42_4 1 0.000000e+00 6.777618e-06 ; 3.304340e-01 -6.777618e-06 8.544399e-03 7.858855e-02 0.000485 0.000060 True native_MD 7 4 28 - CG_AB42_1 CG_AB42_4 1 0.000000e+00 2.698525e-06 ; 3.060240e-01 -2.698525e-06 2.841680e-03 4.130725e-02 0.000485 0.003309 True native_MD 7 4 29 - CG_AB42_1 CD1_AB42_4 1 0.000000e+00 2.749498e-06 ; 3.065016e-01 -2.749498e-06 5.889733e-03 6.397095e-02 0.000485 0.003309 True native_MD 7 4 30 - CG_AB42_1 CD2_AB42_4 1 0.000000e+00 2.749498e-06 ; 3.065016e-01 -2.749498e-06 5.889733e-03 6.397095e-02 0.000485 0.003309 True native_MD 7 4 31 + CG_AB42_1 CA_AB42_4 1 0.000000e+00 1.365948e-05 ; 3.503062e-01 -1.365948e-05 1.068309e-02 5.724245e-02 0.000485 0.001339 True native_MD 7 4 27 + CG_AB42_1 CB_AB42_4 1 0.000000e+00 6.777504e-06 ; 3.304336e-01 -6.777504e-06 8.544399e-03 7.858855e-02 0.000485 0.000060 True native_MD 7 4 28 + CG_AB42_1 CG_AB42_4 1 0.000000e+00 2.698478e-06 ; 3.060236e-01 -2.698478e-06 2.841680e-03 4.130725e-02 0.000485 0.003309 True native_MD 7 4 29 + CG_AB42_1 CD1_AB42_4 1 0.000000e+00 2.749449e-06 ; 3.065012e-01 -2.749449e-06 5.889733e-03 6.397095e-02 0.000485 0.003309 True native_MD 7 4 30 + CG_AB42_1 CD2_AB42_4 1 0.000000e+00 2.749449e-06 ; 3.065012e-01 -2.749449e-06 5.889733e-03 6.397095e-02 0.000485 0.003309 True native_MD 7 4 31 CG_AB42_1 CE1_AB42_4 1 8.952107e-04 2.328437e-06 ; 3.708428e-01 8.604507e-02 1.476710e-02 6.232391e-02 0.000485 0.003309 True native_MD 7 4 32 CG_AB42_1 CE2_AB42_4 1 8.952107e-04 2.328437e-06 ; 3.708428e-01 8.604507e-02 1.476710e-02 6.232391e-02 0.000485 0.003309 True native_MD 7 4 33 CG_AB42_1 CZ_AB42_4 1 9.639100e-04 2.158553e-06 ; 3.617049e-01 1.076094e-01 1.865074e-02 4.128486e-02 0.000485 0.003309 True native_MD 7 4 34 CG_AB42_1 C_AB42_4 1 1.367233e-03 5.898402e-06 ; 4.034738e-01 7.923018e-02 2.623540e-03 8.886580e-03 0.000485 0.002166 True native_MD 7 4 35 - CG_AB42_1 O_AB42_4 1 0.000000e+00 8.379285e-07 ; 2.776060e-01 -8.379285e-07 2.514003e-03 1.579865e-02 0.000485 0.002166 True native_MD 7 4 36 + CG_AB42_1 O_AB42_4 1 0.000000e+00 8.379246e-07 ; 2.776059e-01 -8.379246e-07 2.514003e-03 1.579865e-02 0.000485 0.002166 True native_MD 7 4 36 CG_AB42_1 N_AB42_5 1 5.160276e-04 7.820785e-07 ; 3.389193e-01 8.512075e-02 1.098689e-03 3.120112e-03 0.000485 0.002166 True native_MD 7 4 37 - CG_AB42_1 CA_AB42_5 1 0.000000e+00 1.315996e-05 ; 3.492204e-01 -1.315996e-05 3.887958e-03 1.216982e-02 0.000485 0.001339 True native_MD 7 4 39 - CG_AB42_1 CB_AB42_5 1 0.000000e+00 6.331597e-06 ; 3.285649e-01 -6.331597e-06 9.636488e-03 9.263189e-03 0.000485 0.000060 True native_MD 7 4 40 - CG_AB42_1 CG_AB42_5 1 0.000000e+00 6.258930e-06 ; 3.282489e-01 -6.258930e-06 2.640256e-02 1.455674e-02 0.000485 0.000060 True native_MD 7 4 41 - CG_AB42_1 CD_AB42_5 1 0.000000e+00 6.214031e-06 ; 3.280521e-01 -6.214031e-06 3.486642e-02 1.593199e-02 0.000485 0.000060 True native_MD 7 4 42 + CG_AB42_1 CA_AB42_5 1 0.000000e+00 1.315989e-05 ; 3.492202e-01 -1.315989e-05 3.887958e-03 1.216982e-02 0.000485 0.001339 True native_MD 7 4 39 + CG_AB42_1 CB_AB42_5 1 0.000000e+00 6.331490e-06 ; 3.285644e-01 -6.331490e-06 9.636488e-03 9.263189e-03 0.000485 0.000060 True native_MD 7 4 40 + CG_AB42_1 CG_AB42_5 1 0.000000e+00 6.258825e-06 ; 3.282485e-01 -6.258825e-06 2.640256e-02 1.455674e-02 0.000485 0.000060 True native_MD 7 4 41 + CG_AB42_1 CD_AB42_5 1 0.000000e+00 6.213927e-06 ; 3.280516e-01 -6.213927e-06 3.486642e-02 1.593199e-02 0.000485 0.000060 True native_MD 7 4 42 CG_AB42_1 NE_AB42_5 1 6.080300e-04 5.603566e-07 ; 3.119535e-01 1.649398e-01 2.803504e-02 7.304903e-03 0.000485 0.002166 True native_MD 7 4 43 CG_AB42_1 CZ_AB42_5 1 1.368064e-03 2.668921e-06 ; 3.534854e-01 1.753143e-01 6.134184e-02 1.171739e-02 0.000485 0.002166 True native_MD 7 4 44 CG_AB42_1 NH1_AB42_5 1 4.683196e-04 3.196125e-07 ; 2.967201e-01 1.715541e-01 5.461161e-02 1.167443e-02 0.000485 0.002166 True native_MD 7 4 45 @@ -1339,17 +1339,17 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CG_AB42_1 C_AB42_5 1 2.217050e-03 1.196857e-05 ; 4.188364e-01 1.026712e-01 1.289636e-03 1.690018e-03 0.000485 0.002166 True native_MD 7 4 47 CG_AB42_1 O_AB42_5 1 7.859355e-04 1.700413e-06 ; 3.596344e-01 9.081537e-02 1.031168e-03 2.469557e-03 0.000485 0.002166 True native_MD 7 4 48 CG_AB42_1 N_AB42_6 1 5.031596e-04 8.764022e-07 ; 3.468696e-01 7.221843e-02 5.184208e-04 1.224104e-03 0.000485 0.002166 True native_MD 7 4 49 - CG_AB42_1 CA_AB42_6 1 0.000000e+00 1.311589e-05 ; 3.491228e-01 -1.311589e-05 2.045825e-03 6.951593e-03 0.000485 0.001339 True native_MD 7 4 51 - CG_AB42_1 CB_AB42_6 1 0.000000e+00 6.393658e-06 ; 3.288320e-01 -6.393658e-06 1.997586e-03 1.142249e-02 0.000485 0.000060 True native_MD 7 4 52 - CG_AB42_1 CG_AB42_6 1 0.000000e+00 2.615563e-06 ; 3.052287e-01 -2.615563e-06 1.107326e-03 7.646525e-03 0.000485 0.002166 True native_MD 7 4 53 - CG_AB42_1 ND1_AB42_6 1 0.000000e+00 1.993872e-06 ; 2.984029e-01 -1.993872e-06 1.825819e-03 9.609925e-03 0.000485 0.002166 True native_MD 7 4 54 + CG_AB42_1 CA_AB42_6 1 0.000000e+00 1.311583e-05 ; 3.491226e-01 -1.311583e-05 2.045825e-03 6.951593e-03 0.000485 0.001339 True native_MD 7 4 51 + CG_AB42_1 CB_AB42_6 1 0.000000e+00 6.393551e-06 ; 3.288316e-01 -6.393551e-06 1.997586e-03 1.142249e-02 0.000485 0.000060 True native_MD 7 4 52 + CG_AB42_1 CG_AB42_6 1 0.000000e+00 2.615516e-06 ; 3.052283e-01 -2.615516e-06 1.107326e-03 7.646525e-03 0.000485 0.002166 True native_MD 7 4 53 + CG_AB42_1 ND1_AB42_6 1 0.000000e+00 1.993835e-06 ; 2.984025e-01 -1.993835e-06 1.825819e-03 9.609925e-03 0.000485 0.002166 True native_MD 7 4 54 CG_AB42_1 CD2_AB42_6 1 6.134133e-04 1.018326e-06 ; 3.441034e-01 9.237606e-02 3.267537e-03 1.141033e-02 0.000485 0.003309 True native_MD 7 4 55 CG_AB42_1 CE1_AB42_6 1 4.345532e-04 5.739529e-07 ; 3.312370e-01 8.225260e-02 3.727354e-03 1.762177e-02 0.000485 0.003309 True native_MD 7 4 56 CG_AB42_1 NE2_AB42_6 1 2.467978e-04 2.054251e-07 ; 3.067035e-01 7.412578e-02 3.996316e-03 1.577086e-02 0.000485 0.002166 True native_MD 7 4 57 CG_AB42_1 C_AB42_6 1 1.449018e-03 5.729702e-06 ; 3.976580e-01 9.161266e-02 9.262809e-04 1.327565e-03 0.000485 0.002166 True native_MD 7 4 58 CG_AB42_1 O_AB42_6 1 7.081926e-04 1.461903e-06 ; 3.568299e-01 8.576776e-02 7.776399e-04 1.847727e-03 0.000485 0.002166 True native_MD 7 4 59 CG_AB42_1 CA_AB42_7 1 1.816056e-03 9.206730e-06 ; 4.144728e-01 8.955562e-02 3.209209e-03 4.932998e-03 0.000485 0.001339 True native_MD 7 4 62 - CG_AB42_1 CB_AB42_7 1 0.000000e+00 6.360800e-06 ; 3.286909e-01 -6.360800e-06 1.738360e-03 5.975684e-03 0.000485 0.000060 True native_MD 7 4 63 + CG_AB42_1 CB_AB42_7 1 0.000000e+00 6.360693e-06 ; 3.286904e-01 -6.360693e-06 1.738360e-03 5.975684e-03 0.000485 0.000060 True native_MD 7 4 63 CG_AB42_1 CG_AB42_7 1 1.271988e-03 4.848962e-06 ; 3.952401e-01 8.341746e-02 1.458392e-03 4.358133e-03 0.000485 0.002166 True native_MD 7 4 64 CG_AB42_1 OD1_AB42_7 1 6.229614e-04 1.003086e-06 ; 3.423572e-01 9.672174e-02 1.266700e-03 2.542158e-03 0.000485 0.002166 True native_MD 7 4 65 CG_AB42_1 OD2_AB42_7 1 6.229614e-04 1.003086e-06 ; 3.423572e-01 9.672174e-02 1.266700e-03 2.542158e-03 0.000485 0.002166 True native_MD 7 4 66 @@ -1357,15 +1357,15 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CG_AB42_1 O_AB42_7 1 3.664265e-04 4.513960e-07 ; 3.274124e-01 7.436287e-02 5.527808e-04 1.295405e-03 0.000485 0.002166 True native_MD 7 4 68 CG_AB42_1 N_AB42_8 1 3.321328e-04 3.710655e-07 ; 3.221240e-01 7.432126e-02 5.520929e-04 1.145754e-03 0.000485 0.002166 True native_MD 7 4 69 CG_AB42_1 CA_AB42_8 1 7.874496e-04 2.181158e-06 ; 3.747521e-01 7.107197e-02 2.003313e-03 5.354114e-03 0.000485 0.001339 True native_MD 7 4 71 - CG_AB42_1 CB_AB42_8 1 0.000000e+00 6.360556e-06 ; 3.286898e-01 -6.360556e-06 2.839820e-03 7.038582e-03 0.000485 0.000060 True native_MD 7 4 72 + CG_AB42_1 CB_AB42_8 1 0.000000e+00 6.360449e-06 ; 3.286894e-01 -6.360449e-06 2.839820e-03 7.038582e-03 0.000485 0.000060 True native_MD 7 4 72 CG_AB42_1 OG_AB42_8 1 2.407904e-04 1.458855e-07 ; 2.908900e-01 9.935878e-02 2.314071e-03 4.291696e-03 0.000485 0.002166 True native_MD 7 4 73 CG_AB42_1 C_AB42_8 1 8.739952e-04 2.493670e-06 ; 3.766069e-01 7.658066e-02 5.907134e-04 1.590304e-03 0.000485 0.002166 True native_MD 7 4 74 CG_AB42_1 N_AB42_9 1 2.331813e-04 1.671540e-07 ; 2.991602e-01 8.132247e-02 6.807765e-04 1.189253e-03 0.000485 0.002166 True native_MD 7 4 76 - CG_AB42_1 CA_AB42_9 1 0.000000e+00 6.354885e-06 ; 3.286654e-01 -6.354885e-06 1.281191e-03 4.584689e-03 0.000485 0.001584 True native_MD 7 4 78 + CG_AB42_1 CA_AB42_9 1 0.000000e+00 6.354779e-06 ; 3.286649e-01 -6.354779e-06 1.281191e-03 4.584689e-03 0.000485 0.001584 True native_MD 7 4 78 CG_AB42_1 C_AB42_9 1 7.203804e-04 1.590236e-06 ; 3.608416e-01 8.158349e-02 6.861150e-04 1.156733e-03 0.000485 0.002166 True native_MD 7 4 79 CG_AB42_1 O_AB42_9 1 3.439809e-04 4.130806e-07 ; 3.260244e-01 7.161002e-02 5.090671e-04 8.581447e-04 0.000485 0.002166 True native_MD 7 4 80 CG_AB42_1 CA_AB42_10 1 1.289431e-03 4.674176e-06 ; 3.919384e-01 8.892646e-02 8.547341e-04 1.333965e-03 0.000485 0.001339 True native_MD 7 4 83 - CG_AB42_1 CB_AB42_10 1 0.000000e+00 6.341267e-06 ; 3.286066e-01 -6.341267e-06 8.286338e-04 1.982088e-03 0.000485 0.000060 True native_MD 7 4 84 + CG_AB42_1 CB_AB42_10 1 0.000000e+00 6.341161e-06 ; 3.286062e-01 -6.341161e-06 8.286338e-04 1.982088e-03 0.000485 0.000060 True native_MD 7 4 84 CG_AB42_1 CG_AB42_10 1 1.237157e-03 4.761139e-06 ; 3.958655e-01 8.036724e-02 6.615912e-04 1.577491e-03 0.000485 0.003309 True native_MD 7 4 85 CG_AB42_1 CD1_AB42_10 1 7.932085e-04 1.480253e-06 ; 3.508796e-01 1.062622e-01 1.435946e-03 2.151021e-03 0.000485 0.003309 True native_MD 7 4 86 CG_AB42_1 CD2_AB42_10 1 7.932085e-04 1.480253e-06 ; 3.508796e-01 1.062622e-01 1.435946e-03 2.151021e-03 0.000485 0.003309 True native_MD 7 4 87 @@ -1373,17 +1373,17 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CG_AB42_1 CE2_AB42_10 1 8.005538e-04 1.289869e-06 ; 3.423938e-01 1.242154e-01 2.504720e-03 3.373117e-03 0.000485 0.003309 True native_MD 7 4 89 CG_AB42_1 CZ_AB42_10 1 1.198179e-03 2.805293e-06 ; 3.643981e-01 1.279397e-01 3.295547e-03 3.970051e-03 0.000485 0.003309 True native_MD 7 4 90 CG_AB42_1 OH_AB42_10 1 3.412798e-04 2.466480e-07 ; 2.995674e-01 1.180548e-01 3.653393e-03 3.872247e-03 0.000485 0.002166 True native_MD 7 4 91 - CG_AB42_1 CB_AB42_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 97 - CG_AB42_1 CG_AB42_11 1 0.000000e+00 6.334780e-06 ; 3.285786e-01 -6.334780e-06 9.667509e-04 1.096101e-03 0.000485 0.000060 True native_MD 7 4 98 + CG_AB42_1 CB_AB42_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 97 + CG_AB42_1 CG_AB42_11 1 0.000000e+00 6.334674e-06 ; 3.285782e-01 -6.334674e-06 9.667509e-04 1.096101e-03 0.000485 0.000060 True native_MD 7 4 98 CG_AB42_1 CD_AB42_11 1 1.780069e-03 6.965828e-06 ; 3.969684e-01 1.137211e-01 1.795059e-03 1.007772e-03 0.000485 0.002166 True native_MD 7 4 99 CG_AB42_1 OE1_AB42_11 1 7.022951e-04 1.078815e-06 ; 3.396810e-01 1.142963e-01 1.826228e-03 7.091105e-04 0.000485 0.002166 True native_MD 7 4 100 CG_AB42_1 OE2_AB42_11 1 7.022951e-04 1.078815e-06 ; 3.396810e-01 1.142963e-01 1.826228e-03 7.091105e-04 0.000485 0.002166 True native_MD 7 4 101 CG_AB42_1 CA_AB42_12 1 2.782073e-03 2.367784e-05 ; 4.518514e-01 8.172123e-02 6.889491e-04 3.998031e-04 0.000485 0.001339 True native_MD 7 4 106 - CG_AB42_1 CB_AB42_12 1 0.000000e+00 1.305430e-05 ; 3.489858e-01 -1.305430e-05 1.301484e-03 1.488187e-03 0.000485 0.000060 True native_MD 7 4 107 - CG_AB42_1 CG1_AB42_12 1 0.000000e+00 4.727506e-06 ; 3.206621e-01 -4.727506e-06 1.194374e-03 1.488510e-03 0.000485 0.000060 True native_MD 7 4 108 - CG_AB42_1 CG2_AB42_12 1 0.000000e+00 4.727490e-06 ; 3.206620e-01 -4.727490e-06 1.184251e-03 1.475010e-03 0.000485 0.000060 True native_MD 7 4 109 + CG_AB42_1 CB_AB42_12 1 0.000000e+00 1.305423e-05 ; 3.489857e-01 -1.305423e-05 1.301484e-03 1.488187e-03 0.000485 0.000060 True native_MD 7 4 107 + CG_AB42_1 CG1_AB42_12 1 0.000000e+00 4.727444e-06 ; 3.206618e-01 -4.727444e-06 1.194374e-03 1.488510e-03 0.000485 0.000060 True native_MD 7 4 108 + CG_AB42_1 CG2_AB42_12 1 0.000000e+00 4.727428e-06 ; 3.206617e-01 -4.727428e-06 1.184251e-03 1.475010e-03 0.000485 0.000060 True native_MD 7 4 109 CG_AB42_1 CA_AB42_13 1 1.027182e-03 2.385810e-06 ; 3.639134e-01 1.105602e-01 1.633045e-03 8.902525e-04 0.000485 0.001339 True native_MD 7 4 114 - CG_AB42_1 CB_AB42_13 1 0.000000e+00 6.330290e-06 ; 3.285592e-01 -6.330290e-06 2.162319e-03 1.582706e-03 0.000485 0.000060 True native_MD 7 4 115 + CG_AB42_1 CB_AB42_13 1 0.000000e+00 6.330184e-06 ; 3.285587e-01 -6.330184e-06 2.162319e-03 1.582706e-03 0.000485 0.000060 True native_MD 7 4 115 CG_AB42_1 CG_AB42_13 1 1.827254e-03 7.572494e-06 ; 4.007806e-01 1.102297e-01 1.616973e-03 1.327599e-03 0.000485 0.002166 True native_MD 7 4 116 CG_AB42_1 ND1_AB42_13 1 1.134239e-03 2.756566e-06 ; 3.666716e-01 1.166757e-01 1.961007e-03 1.569922e-03 0.000485 0.002166 True native_MD 7 4 117 CG_AB42_1 CD2_AB42_13 1 8.375829e-04 1.342572e-06 ; 3.420989e-01 1.306345e-01 2.977809e-03 1.925453e-03 0.000485 0.003309 True native_MD 7 4 118 @@ -1392,7 +1392,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CG_AB42_1 C_AB42_13 1 8.208637e-04 2.254225e-06 ; 3.742149e-01 7.472824e-02 5.588580e-04 2.141283e-04 0.000485 0.002166 True native_MD 7 4 121 CG_AB42_1 O_AB42_13 1 2.701616e-04 1.942625e-07 ; 2.993144e-01 9.392872e-02 9.927589e-04 2.463494e-04 0.000485 0.002166 True native_MD 7 4 122 CG_AB42_1 CA_AB42_14 1 9.315408e-04 1.847591e-06 ; 3.544601e-01 1.174188e-01 2.005105e-03 9.008851e-04 0.000485 0.001339 True native_MD 7 4 125 - CG_AB42_1 CB_AB42_14 1 0.000000e+00 6.324707e-06 ; 3.285350e-01 -6.324707e-06 2.687911e-03 1.226838e-03 0.000485 0.000060 True native_MD 7 4 126 + CG_AB42_1 CB_AB42_14 1 0.000000e+00 6.324600e-06 ; 3.285346e-01 -6.324600e-06 2.687911e-03 1.226838e-03 0.000485 0.000060 True native_MD 7 4 126 CG_AB42_1 CG_AB42_14 1 1.186196e-03 3.102272e-06 ; 3.711823e-01 1.133896e-01 1.777340e-03 7.863861e-04 0.000485 0.002166 True native_MD 7 4 127 CG_AB42_1 ND1_AB42_14 1 8.730371e-04 1.497301e-06 ; 3.459761e-01 1.272613e-01 2.691884e-03 1.400538e-03 0.000485 0.002166 True native_MD 7 4 128 CG_AB42_1 CD2_AB42_14 1 1.298762e-03 3.025253e-06 ; 3.640871e-01 1.393919e-01 3.870027e-03 1.684377e-03 0.000485 0.003309 True native_MD 7 4 129 @@ -1401,8 +1401,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CG_AB42_1 C_AB42_14 1 1.341511e-03 4.246068e-06 ; 3.831764e-01 1.059599e-01 1.423013e-03 2.725187e-04 0.000485 0.002166 True native_MD 7 4 132 CG_AB42_1 N_AB42_15 1 3.783895e-04 3.597328e-07 ; 3.135741e-01 9.950347e-02 1.172997e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 4 134 CG_AB42_1 CA_AB42_15 1 1.387242e-03 3.798124e-06 ; 3.740269e-01 1.266704e-01 2.644700e-03 6.614966e-04 0.000485 0.001339 True native_MD 7 4 136 - CG_AB42_1 CB_AB42_15 1 0.000000e+00 6.324248e-06 ; 3.285331e-01 -6.324248e-06 2.071414e-03 5.379601e-04 0.000485 0.000060 True native_MD 7 4 137 - CG_AB42_1 CG_AB42_15 1 0.000000e+00 6.324899e-06 ; 3.285359e-01 -6.324899e-06 2.508392e-03 1.077682e-03 0.000485 0.000060 True native_MD 7 4 138 + CG_AB42_1 CB_AB42_15 1 0.000000e+00 6.324142e-06 ; 3.285326e-01 -6.324142e-06 2.071414e-03 5.379601e-04 0.000485 0.000060 True native_MD 7 4 137 + CG_AB42_1 CG_AB42_15 1 0.000000e+00 6.324793e-06 ; 3.285354e-01 -6.324793e-06 2.508392e-03 1.077682e-03 0.000485 0.000060 True native_MD 7 4 138 CG_AB42_1 CD_AB42_15 1 1.526987e-03 4.778235e-06 ; 3.824477e-01 1.219953e-01 2.299408e-03 9.355939e-04 0.000485 0.002166 True native_MD 7 4 139 CG_AB42_1 OE1_AB42_15 1 9.307482e-04 2.073472e-06 ; 3.613913e-01 1.044495e-01 1.360123e-03 6.835571e-04 0.000485 0.002166 True native_MD 7 4 140 CG_AB42_1 NE2_AB42_15 1 3.978286e-04 3.049647e-07 ; 3.025234e-01 1.297425e-01 2.899373e-03 1.844403e-03 0.000485 0.002166 True native_MD 7 4 141 @@ -1418,18 +1418,18 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CG_AB42_1 O_AB42_16 1 7.263367e-04 1.858446e-06 ; 3.698299e-01 7.096856e-02 4.993882e-04 1.646567e-04 0.000485 0.002166 True native_MD 7 4 153 CG_AB42_1 N_AB42_17 1 3.243377e-04 2.319260e-07 ; 2.990373e-01 1.133928e-01 1.777509e-03 3.305902e-05 0.000485 0.002166 True native_MD 7 4 154 CG_AB42_1 CA_AB42_17 1 1.764977e-03 5.924013e-06 ; 3.869423e-01 1.314626e-01 3.052520e-03 1.781486e-04 0.000485 0.001339 True native_MD 7 4 156 - CG_AB42_1 CB_AB42_17 1 0.000000e+00 6.319336e-06 ; 3.285118e-01 -6.319336e-06 2.705238e-03 3.961929e-04 0.000485 0.000060 True native_MD 7 4 157 - CG_AB42_1 CG_AB42_17 1 0.000000e+00 1.301013e-05 ; 3.488873e-01 -1.301013e-05 4.325746e-03 1.127913e-03 0.000485 0.000060 True native_MD 7 4 158 - CG_AB42_1 CD1_AB42_17 1 0.000000e+00 4.715495e-06 ; 3.205942e-01 -4.715495e-06 3.302928e-03 1.055784e-03 0.000485 0.000060 True native_MD 7 4 159 - CG_AB42_1 CD2_AB42_17 1 0.000000e+00 4.716360e-06 ; 3.205991e-01 -4.716360e-06 3.038027e-03 9.738491e-04 0.000485 0.000060 True native_MD 7 4 160 + CG_AB42_1 CB_AB42_17 1 0.000000e+00 6.319230e-06 ; 3.285113e-01 -6.319230e-06 2.705238e-03 3.961929e-04 0.000485 0.000060 True native_MD 7 4 157 + CG_AB42_1 CG_AB42_17 1 0.000000e+00 1.301006e-05 ; 3.488871e-01 -1.301006e-05 4.325746e-03 1.127913e-03 0.000485 0.000060 True native_MD 7 4 158 + CG_AB42_1 CD1_AB42_17 1 0.000000e+00 4.715434e-06 ; 3.205938e-01 -4.715434e-06 3.302928e-03 1.055784e-03 0.000485 0.000060 True native_MD 7 4 159 + CG_AB42_1 CD2_AB42_17 1 0.000000e+00 4.716298e-06 ; 3.205987e-01 -4.716298e-06 3.038027e-03 9.738491e-04 0.000485 0.000060 True native_MD 7 4 160 CG_AB42_1 C_AB42_17 1 1.229666e-03 3.927105e-06 ; 3.837493e-01 9.625907e-02 1.064463e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 4 161 CG_AB42_1 O_AB42_17 1 5.095026e-04 6.877397e-07 ; 3.324397e-01 9.436452e-02 1.005791e-03 2.502316e-05 0.000485 0.002166 True native_MD 7 4 162 CG_AB42_1 CA_AB42_18 1 1.720942e-03 6.877068e-06 ; 3.983573e-01 1.076637e-01 1.497452e-03 3.908924e-04 0.000485 0.001339 True native_MD 7 4 165 - CG_AB42_1 CB_AB42_18 1 0.000000e+00 1.303565e-05 ; 3.489443e-01 -1.303565e-05 2.380669e-03 1.138282e-03 0.000485 0.000060 True native_MD 7 4 166 - CG_AB42_1 CG1_AB42_18 1 0.000000e+00 4.722733e-06 ; 3.206351e-01 -4.722733e-06 1.779132e-03 1.063477e-03 0.000485 0.000060 True native_MD 7 4 167 - CG_AB42_1 CG2_AB42_18 1 0.000000e+00 4.719276e-06 ; 3.206156e-01 -4.719276e-06 2.373082e-03 9.258785e-04 0.000485 0.000060 True native_MD 7 4 168 + CG_AB42_1 CB_AB42_18 1 0.000000e+00 1.303558e-05 ; 3.489441e-01 -1.303558e-05 2.380669e-03 1.138282e-03 0.000485 0.000060 True native_MD 7 4 166 + CG_AB42_1 CG1_AB42_18 1 0.000000e+00 4.722672e-06 ; 3.206348e-01 -4.722672e-06 1.779132e-03 1.063477e-03 0.000485 0.000060 True native_MD 7 4 167 + CG_AB42_1 CG2_AB42_18 1 0.000000e+00 4.719214e-06 ; 3.206152e-01 -4.719214e-06 2.373082e-03 9.258785e-04 0.000485 0.000060 True native_MD 7 4 168 CG_AB42_1 CA_AB42_19 1 1.251411e-03 3.012056e-06 ; 3.660810e-01 1.299802e-01 2.920066e-03 7.550115e-04 0.000485 0.001339 True native_MD 7 4 173 - CG_AB42_1 CB_AB42_19 1 0.000000e+00 6.324572e-06 ; 3.285345e-01 -6.324572e-06 2.957910e-03 1.475623e-03 0.000485 0.000060 True native_MD 7 4 174 + CG_AB42_1 CB_AB42_19 1 0.000000e+00 6.324466e-06 ; 3.285340e-01 -6.324466e-06 2.957910e-03 1.475623e-03 0.000485 0.000060 True native_MD 7 4 174 CG_AB42_1 CG_AB42_19 1 2.141400e-03 1.163874e-05 ; 4.193095e-01 9.849848e-02 1.138244e-03 7.884396e-04 0.000485 0.003309 True native_MD 7 4 175 CG_AB42_1 CD1_AB42_19 1 1.004084e-03 2.252142e-06 ; 3.618020e-01 1.119140e-01 1.700562e-03 1.323754e-03 0.000485 0.003309 True native_MD 7 4 176 CG_AB42_1 CD2_AB42_19 1 1.004084e-03 2.252142e-06 ; 3.618020e-01 1.119140e-01 1.700562e-03 1.323754e-03 0.000485 0.003309 True native_MD 7 4 177 @@ -1440,7 +1440,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CG_AB42_1 O_AB42_19 1 4.546684e-04 5.155472e-07 ; 3.229205e-01 1.002446e-01 1.199305e-03 2.218047e-04 0.000485 0.002166 True native_MD 7 4 182 CG_AB42_1 N_AB42_20 1 3.757193e-04 3.741871e-07 ; 3.160125e-01 9.431445e-02 1.004285e-03 4.889338e-05 0.000485 0.002166 True native_MD 7 4 183 CG_AB42_1 CA_AB42_20 1 1.685836e-03 5.196320e-06 ; 3.814873e-01 1.367335e-01 3.574075e-03 7.808544e-04 0.000485 0.001339 True native_MD 7 4 185 - CG_AB42_1 CB_AB42_20 1 0.000000e+00 6.312710e-06 ; 3.284831e-01 -6.312710e-06 4.347053e-03 9.919507e-04 0.000485 0.000060 True native_MD 7 4 186 + CG_AB42_1 CB_AB42_20 1 0.000000e+00 6.312604e-06 ; 3.284826e-01 -6.312604e-06 4.347053e-03 9.919507e-04 0.000485 0.000060 True native_MD 7 4 186 CG_AB42_1 CG_AB42_20 1 1.389518e-03 3.799302e-06 ; 3.739440e-01 1.270470e-01 2.674672e-03 7.863995e-04 0.000485 0.003309 True native_MD 7 4 187 CG_AB42_1 CD1_AB42_20 1 9.265878e-04 1.545481e-06 ; 3.443733e-01 1.388831e-01 3.811546e-03 1.068408e-03 0.000485 0.003309 True native_MD 7 4 188 CG_AB42_1 CD2_AB42_20 1 9.265878e-04 1.545481e-06 ; 3.443733e-01 1.388831e-01 3.811546e-03 1.068408e-03 0.000485 0.003309 True native_MD 7 4 189 @@ -1451,20 +1451,20 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CG_AB42_1 O_AB42_20 1 7.837954e-04 1.390313e-06 ; 3.479245e-01 1.104671e-01 1.628499e-03 4.372730e-05 0.000485 0.002166 True native_MD 7 4 194 CG_AB42_1 N_AB42_21 1 3.580202e-04 3.072023e-07 ; 3.082616e-01 1.043111e-01 1.354504e-03 3.396520e-04 0.000485 0.002166 True native_MD 7 4 195 CG_AB42_1 CA_AB42_21 1 1.398174e-03 3.571660e-06 ; 3.697301e-01 1.368335e-01 3.584786e-03 1.136220e-03 0.000485 0.001339 True native_MD 7 4 197 - CG_AB42_1 CB_AB42_21 1 0.000000e+00 4.716278e-06 ; 3.205986e-01 -4.716278e-06 3.293587e-03 1.211927e-03 0.000485 0.000060 True native_MD 7 4 198 + CG_AB42_1 CB_AB42_21 1 0.000000e+00 4.716216e-06 ; 3.205982e-01 -4.716216e-06 3.293587e-03 1.211927e-03 0.000485 0.000060 True native_MD 7 4 198 CG_AB42_1 C_AB42_21 1 1.725062e-03 6.942423e-06 ; 3.988268e-01 1.071614e-01 1.475111e-03 1.209236e-04 0.000485 0.002166 True native_MD 7 4 199 CG_AB42_1 O_AB42_21 1 5.094669e-04 8.796762e-07 ; 3.463654e-01 7.376478e-02 5.429749e-04 2.008650e-04 0.000485 0.002166 True native_MD 7 4 200 CG_AB42_1 N_AB42_22 1 3.776034e-04 3.530299e-07 ; 3.127010e-01 1.009719e-01 1.225691e-03 6.761496e-07 0.000485 0.002166 True native_MD 7 4 201 CG_AB42_1 CA_AB42_22 1 2.227509e-03 1.015607e-05 ; 4.072093e-01 1.221387e-01 2.309295e-03 2.927924e-04 0.000485 0.001339 True native_MD 7 4 203 CG_AB42_1 CB_AB42_22 1 8.050609e-04 2.007881e-06 ; 3.682574e-01 8.069741e-02 2.741835e-03 2.450440e-04 0.000485 0.000060 True native_MD 7 4 204 - CG_AB42_1 CG_AB42_22 1 0.000000e+00 6.317374e-06 ; 3.285033e-01 -6.317374e-06 2.987856e-03 3.691695e-04 0.000485 0.000060 True native_MD 7 4 205 + CG_AB42_1 CG_AB42_22 1 0.000000e+00 6.317268e-06 ; 3.285028e-01 -6.317268e-06 2.987856e-03 3.691695e-04 0.000485 0.000060 True native_MD 7 4 205 CG_AB42_1 CD_AB42_22 1 2.055047e-03 7.863573e-06 ; 3.954878e-01 1.342652e-01 3.319581e-03 3.553961e-04 0.000485 0.002166 True native_MD 7 4 206 CG_AB42_1 OE1_AB42_22 1 7.830982e-04 1.193580e-06 ; 3.392391e-01 1.284461e-01 2.789039e-03 2.464374e-04 0.000485 0.002166 True native_MD 7 4 207 CG_AB42_1 OE2_AB42_22 1 7.830982e-04 1.193580e-06 ; 3.392391e-01 1.284461e-01 2.789039e-03 2.464374e-04 0.000485 0.002166 True native_MD 7 4 208 CG_AB42_1 C_AB42_22 1 1.641561e-03 8.426870e-06 ; 4.153379e-01 7.994437e-02 6.532717e-04 6.075964e-05 0.000485 0.002166 True native_MD 7 4 209 CG_AB42_1 O_AB42_22 1 6.275954e-04 1.168590e-06 ; 3.507495e-01 8.426310e-02 7.434006e-04 1.292579e-04 0.000485 0.002166 True native_MD 7 4 210 CG_AB42_1 CA_AB42_23 1 1.681874e-03 6.309086e-06 ; 3.941808e-01 1.120884e-01 1.709461e-03 3.340550e-04 0.000485 0.001339 True native_MD 7 4 213 - CG_AB42_1 CB_AB42_23 1 0.000000e+00 6.323111e-06 ; 3.285281e-01 -6.323111e-06 2.163235e-03 4.501832e-04 0.000485 0.000060 True native_MD 7 4 214 + CG_AB42_1 CB_AB42_23 1 0.000000e+00 6.323004e-06 ; 3.285277e-01 -6.323004e-06 2.163235e-03 4.501832e-04 0.000485 0.000060 True native_MD 7 4 214 CG_AB42_1 CG_AB42_23 1 2.162976e-03 9.945892e-06 ; 4.077857e-01 1.175979e-01 2.015877e-03 3.212091e-04 0.000485 0.002166 True native_MD 7 4 215 CG_AB42_1 OD1_AB42_23 1 5.426846e-04 6.861579e-07 ; 3.288361e-01 1.073027e-01 1.481363e-03 1.819738e-04 0.000485 0.002166 True native_MD 7 4 216 CG_AB42_1 OD2_AB42_23 1 5.426846e-04 6.861579e-07 ; 3.288361e-01 1.073027e-01 1.481363e-03 1.819738e-04 0.000485 0.002166 True native_MD 7 4 217 @@ -1472,7 +1472,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CG_AB42_1 O_AB42_23 1 3.082740e-04 2.488812e-07 ; 3.051471e-01 9.546005e-02 1.039312e-03 1.999717e-04 0.000485 0.002166 True native_MD 7 4 219 CG_AB42_1 CA_AB42_24 1 1.484730e-03 4.001779e-06 ; 3.730505e-01 1.377152e-01 3.680630e-03 2.682158e-04 0.000485 0.001339 True native_MD 7 4 222 CG_AB42_1 CB_AB42_24 1 1.389831e-03 5.925854e-06 ; 4.026844e-01 8.149160e-02 5.229511e-03 4.563962e-04 0.000485 0.000060 True native_MD 7 4 223 - CG_AB42_1 CG1_AB42_24 1 0.000000e+00 4.709788e-06 ; 3.205618e-01 -4.709788e-06 4.258021e-03 8.032038e-04 0.000485 0.000060 True native_MD 7 4 224 + CG_AB42_1 CG1_AB42_24 1 0.000000e+00 4.709726e-06 ; 3.205615e-01 -4.709726e-06 4.258021e-03 8.032038e-04 0.000485 0.000060 True native_MD 7 4 224 CG_AB42_1 CG2_AB42_24 1 7.889015e-04 1.954108e-06 ; 3.678360e-01 7.962273e-02 3.880122e-03 3.581091e-04 0.000485 0.000060 True native_MD 7 4 225 CG_AB42_1 C_AB42_24 1 1.699025e-03 5.603253e-06 ; 3.858099e-01 1.287951e-01 2.818325e-03 1.965040e-04 0.000485 0.002166 True native_MD 7 4 226 CG_AB42_1 O_AB42_24 1 5.531383e-04 7.613583e-07 ; 3.335231e-01 1.004658e-01 1.207270e-03 1.315444e-04 0.000485 0.002166 True native_MD 7 4 227 @@ -1495,7 +1495,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CG_AB42_1 O_AB42_27 1 5.556058e-04 6.120603e-07 ; 3.213694e-01 1.260896e-01 2.599131e-03 8.947010e-05 0.000485 0.002166 True native_MD 7 4 248 CG_AB42_1 N_AB42_28 1 3.985058e-04 3.370786e-07 ; 3.075267e-01 1.177818e-01 2.027000e-03 4.916347e-05 0.000485 0.002166 True native_MD 7 4 249 CG_AB42_1 CA_AB42_28 1 1.709695e-03 4.575013e-06 ; 3.726024e-01 1.597295e-01 7.112705e-03 2.690699e-04 0.000485 0.001339 True native_MD 7 4 251 - CG_AB42_1 CB_AB42_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 252 + CG_AB42_1 CB_AB42_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 252 CG_AB42_1 CG_AB42_28 1 1.099687e-03 2.720441e-06 ; 3.677576e-01 1.111319e-01 1.211373e-02 4.354452e-04 0.000485 0.000060 True native_MD 7 4 253 CG_AB42_1 CD_AB42_28 1 9.785371e-04 2.349736e-06 ; 3.659375e-01 1.018769e-01 1.861047e-02 8.824658e-04 0.000485 0.000060 True native_MD 7 4 254 CG_AB42_1 CE_AB42_28 1 8.722414e-04 1.647855e-06 ; 3.515985e-01 1.154235e-01 2.169771e-02 6.859502e-04 0.000485 0.000060 True native_MD 7 4 255 @@ -1508,21 +1508,21 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CG_AB42_1 O_AB42_29 1 4.824020e-04 5.649456e-07 ; 3.246631e-01 1.029797e-01 1.301596e-03 1.499495e-04 0.000485 0.002166 True native_MD 7 4 263 CG_AB42_1 N_AB42_30 1 4.738982e-04 4.621367e-07 ; 3.149060e-01 1.214898e-01 2.264882e-03 4.255099e-05 0.000485 0.002166 True native_MD 7 4 264 CG_AB42_1 CA_AB42_30 1 1.972853e-03 6.653629e-06 ; 3.872523e-01 1.462415e-01 4.750459e-03 6.034193e-04 0.000485 0.001339 True native_MD 7 4 266 - CG_AB42_1 CB_AB42_30 1 0.000000e+00 4.711088e-06 ; 3.205692e-01 -4.711088e-06 3.702483e-03 5.228093e-04 0.000485 0.000060 True native_MD 7 4 267 + CG_AB42_1 CB_AB42_30 1 0.000000e+00 4.711027e-06 ; 3.205688e-01 -4.711027e-06 3.702483e-03 5.228093e-04 0.000485 0.000060 True native_MD 7 4 267 CG_AB42_1 C_AB42_30 1 1.338402e-03 4.908011e-06 ; 3.926930e-01 9.124467e-02 9.161361e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 4 268 CG_AB42_1 O_AB42_30 1 7.894030e-04 1.808462e-06 ; 3.630795e-01 8.614461e-02 7.864594e-04 7.533427e-05 0.000485 0.002166 True native_MD 7 4 269 CG_AB42_1 CA_AB42_31 1 1.448934e-03 4.608385e-06 ; 3.834865e-01 1.138907e-01 1.804193e-03 1.456161e-04 0.000485 0.001339 True native_MD 7 4 272 - CG_AB42_1 CB_AB42_31 1 0.000000e+00 1.302002e-05 ; 3.489094e-01 -1.302002e-05 2.983847e-03 5.439137e-04 0.000485 0.000060 True native_MD 7 4 273 - CG_AB42_1 CG1_AB42_31 1 0.000000e+00 6.323996e-06 ; 3.285320e-01 -6.323996e-06 1.980006e-03 4.066959e-04 0.000485 0.000060 True native_MD 7 4 274 - CG_AB42_1 CG2_AB42_31 1 0.000000e+00 4.715023e-06 ; 3.205915e-01 -4.715023e-06 2.766122e-03 4.190940e-04 0.000485 0.000060 True native_MD 7 4 275 - CG_AB42_1 CD_AB42_31 1 0.000000e+00 4.711051e-06 ; 3.205690e-01 -4.711051e-06 3.647014e-03 4.594924e-04 0.000485 0.000060 True native_MD 7 4 276 + CG_AB42_1 CB_AB42_31 1 0.000000e+00 1.301995e-05 ; 3.489092e-01 -1.301995e-05 2.983847e-03 5.439137e-04 0.000485 0.000060 True native_MD 7 4 273 + CG_AB42_1 CG1_AB42_31 1 0.000000e+00 6.323890e-06 ; 3.285315e-01 -6.323890e-06 1.980006e-03 4.066959e-04 0.000485 0.000060 True native_MD 7 4 274 + CG_AB42_1 CG2_AB42_31 1 0.000000e+00 4.714962e-06 ; 3.205911e-01 -4.714962e-06 2.766122e-03 4.190940e-04 0.000485 0.000060 True native_MD 7 4 275 + CG_AB42_1 CD_AB42_31 1 0.000000e+00 4.710990e-06 ; 3.205686e-01 -4.710990e-06 3.647014e-03 4.594924e-04 0.000485 0.000060 True native_MD 7 4 276 CG_AB42_1 C_AB42_31 1 1.573936e-03 8.012571e-06 ; 4.147606e-01 7.729338e-02 6.034480e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 4 277 CG_AB42_1 O_AB42_31 1 8.544675e-04 1.901990e-06 ; 3.613423e-01 9.596720e-02 1.055206e-03 3.445964e-05 0.000485 0.002166 True native_MD 7 4 278 CG_AB42_1 CA_AB42_32 1 1.363316e-03 4.243350e-06 ; 3.821074e-01 1.095025e-01 1.582164e-03 1.942655e-04 0.000485 0.001339 True native_MD 7 4 281 - CG_AB42_1 CB_AB42_32 1 0.000000e+00 1.303281e-05 ; 3.489379e-01 -1.303281e-05 1.687899e-03 2.278395e-04 0.000485 0.000060 True native_MD 7 4 282 - CG_AB42_1 CG1_AB42_32 1 0.000000e+00 6.325350e-06 ; 3.285378e-01 -6.325350e-06 1.749253e-03 3.896859e-04 0.000485 0.000060 True native_MD 7 4 283 - CG_AB42_1 CG2_AB42_32 1 0.000000e+00 4.720811e-06 ; 3.206243e-01 -4.720811e-06 1.578355e-03 4.559887e-04 0.000485 0.000060 True native_MD 7 4 284 - CG_AB42_1 CD_AB42_32 1 0.000000e+00 4.717274e-06 ; 3.206042e-01 -4.717274e-06 2.481357e-03 6.106313e-04 0.000485 0.000060 True native_MD 7 4 285 + CG_AB42_1 CB_AB42_32 1 0.000000e+00 1.303274e-05 ; 3.489378e-01 -1.303274e-05 1.687899e-03 2.278395e-04 0.000485 0.000060 True native_MD 7 4 282 + CG_AB42_1 CG1_AB42_32 1 0.000000e+00 6.325243e-06 ; 3.285374e-01 -6.325243e-06 1.749253e-03 3.896859e-04 0.000485 0.000060 True native_MD 7 4 283 + CG_AB42_1 CG2_AB42_32 1 0.000000e+00 4.720750e-06 ; 3.206239e-01 -4.720750e-06 1.578355e-03 4.559887e-04 0.000485 0.000060 True native_MD 7 4 284 + CG_AB42_1 CD_AB42_32 1 0.000000e+00 4.717213e-06 ; 3.206039e-01 -4.717213e-06 2.481357e-03 6.106313e-04 0.000485 0.000060 True native_MD 7 4 285 CG_AB42_1 C_AB42_32 1 1.474471e-03 5.568454e-06 ; 3.946236e-01 9.760637e-02 1.108258e-03 2.282720e-05 0.000485 0.002166 True native_MD 7 4 286 CG_AB42_1 N_AB42_33 1 4.203882e-04 3.990412e-07 ; 3.134930e-01 1.107193e-01 1.640838e-03 4.999927e-05 0.000485 0.002166 True native_MD 7 4 288 CG_AB42_1 CA_AB42_33 1 1.051344e-03 2.055821e-06 ; 3.536226e-01 1.344140e-01 3.334396e-03 2.312423e-04 0.000485 0.001584 True native_MD 7 4 290 @@ -1530,22 +1530,22 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CG_AB42_1 O_AB42_33 1 5.243790e-04 8.912925e-07 ; 3.454585e-01 7.712770e-02 6.004634e-04 7.730600e-05 0.000485 0.002166 True native_MD 7 4 292 CG_AB42_1 N_AB42_34 1 5.088760e-04 7.255546e-07 ; 3.354875e-01 8.922649e-02 8.624431e-04 9.999930e-05 0.000485 0.002166 True native_MD 7 4 293 CG_AB42_1 CA_AB42_34 1 2.821258e-03 1.757272e-05 ; 4.289428e-01 1.132365e-01 1.769217e-03 2.584244e-04 0.000485 0.001339 True native_MD 7 4 295 - CG_AB42_1 CB_AB42_34 1 0.000000e+00 6.328653e-06 ; 3.285521e-01 -6.328653e-06 1.103298e-03 2.652660e-04 0.000485 0.000060 True native_MD 7 4 296 - CG_AB42_1 CG_AB42_34 1 0.000000e+00 1.301683e-05 ; 3.489022e-01 -1.301683e-05 3.181363e-03 4.967283e-04 0.000485 0.000060 True native_MD 7 4 297 - CG_AB42_1 CD1_AB42_34 1 0.000000e+00 4.711539e-06 ; 3.205717e-01 -4.711539e-06 3.555550e-03 4.712156e-04 0.000485 0.000060 True native_MD 7 4 298 - CG_AB42_1 CD2_AB42_34 1 0.000000e+00 4.716089e-06 ; 3.205975e-01 -4.716089e-06 2.479305e-03 3.576687e-04 0.000485 0.000060 True native_MD 7 4 299 + CG_AB42_1 CB_AB42_34 1 0.000000e+00 6.328547e-06 ; 3.285517e-01 -6.328547e-06 1.103298e-03 2.652660e-04 0.000485 0.000060 True native_MD 7 4 296 + CG_AB42_1 CG_AB42_34 1 0.000000e+00 1.301676e-05 ; 3.489021e-01 -1.301676e-05 3.181363e-03 4.967283e-04 0.000485 0.000060 True native_MD 7 4 297 + CG_AB42_1 CD1_AB42_34 1 0.000000e+00 4.711477e-06 ; 3.205714e-01 -4.711477e-06 3.555550e-03 4.712156e-04 0.000485 0.000060 True native_MD 7 4 298 + CG_AB42_1 CD2_AB42_34 1 0.000000e+00 4.716027e-06 ; 3.205972e-01 -4.716027e-06 2.479305e-03 3.576687e-04 0.000485 0.000060 True native_MD 7 4 299 CG_AB42_1 O_AB42_34 1 6.757965e-04 1.409279e-06 ; 3.574348e-01 8.101677e-02 6.745769e-04 5.604057e-05 0.000485 0.002166 True native_MD 7 4 301 CG_AB42_1 CA_AB42_35 1 1.136305e-03 2.930815e-06 ; 3.703243e-01 1.101391e-01 1.612593e-03 1.046771e-04 0.000485 0.001339 True native_MD 7 4 304 - CG_AB42_1 CB_AB42_35 1 0.000000e+00 6.327072e-06 ; 3.285453e-01 -6.327072e-06 1.288990e-03 2.014153e-04 0.000485 0.000060 True native_MD 7 4 305 - CG_AB42_1 CG_AB42_35 1 0.000000e+00 6.327544e-06 ; 3.285473e-01 -6.327544e-06 1.264731e-03 2.516751e-04 0.000485 0.000060 True native_MD 7 4 306 + CG_AB42_1 CB_AB42_35 1 0.000000e+00 6.326966e-06 ; 3.285448e-01 -6.326966e-06 1.288990e-03 2.014153e-04 0.000485 0.000060 True native_MD 7 4 305 + CG_AB42_1 CG_AB42_35 1 0.000000e+00 6.327438e-06 ; 3.285469e-01 -6.327438e-06 1.264731e-03 2.516751e-04 0.000485 0.000060 True native_MD 7 4 306 CG_AB42_1 SD_AB42_35 1 1.169183e-03 3.218021e-06 ; 3.743556e-01 1.061980e-01 1.433188e-03 4.135962e-04 0.000485 0.002166 True native_MD 7 4 307 - CG_AB42_1 CE_AB42_35 1 0.000000e+00 4.714149e-06 ; 3.205865e-01 -4.714149e-06 3.090016e-03 5.580088e-04 0.000485 0.000060 True native_MD 7 4 308 + CG_AB42_1 CE_AB42_35 1 0.000000e+00 4.714088e-06 ; 3.205862e-01 -4.714088e-06 3.090016e-03 5.580088e-04 0.000485 0.000060 True native_MD 7 4 308 CG_AB42_1 C_AB42_35 1 8.713118e-04 2.265656e-06 ; 3.708259e-01 8.377091e-02 7.325312e-04 1.451828e-05 0.000485 0.002166 True native_MD 7 4 309 CG_AB42_1 O_AB42_35 1 6.216469e-04 1.095257e-06 ; 3.475325e-01 8.820872e-02 8.365710e-04 1.290814e-04 0.000485 0.002166 True native_MD 7 4 310 CG_AB42_1 N_AB42_36 1 1.768039e-04 1.055885e-07 ; 2.901933e-01 7.401288e-02 5.470213e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 4 311 CG_AB42_1 CA_AB42_36 1 1.459124e-03 4.550458e-06 ; 3.822321e-01 1.169687e-01 1.978273e-03 1.500306e-04 0.000485 0.001339 True native_MD 7 4 313 - CG_AB42_1 CB_AB42_36 1 0.000000e+00 1.302134e-05 ; 3.489123e-01 -1.302134e-05 2.673978e-03 3.348843e-04 0.000485 0.000060 True native_MD 7 4 314 - CG_AB42_1 CG1_AB42_36 1 0.000000e+00 4.714422e-06 ; 3.205881e-01 -4.714422e-06 2.905052e-03 4.308155e-04 0.000485 0.000060 True native_MD 7 4 315 + CG_AB42_1 CB_AB42_36 1 0.000000e+00 1.302127e-05 ; 3.489122e-01 -1.302127e-05 2.673978e-03 3.348843e-04 0.000485 0.000060 True native_MD 7 4 314 + CG_AB42_1 CG1_AB42_36 1 0.000000e+00 4.714361e-06 ; 3.205877e-01 -4.714361e-06 2.905052e-03 4.308155e-04 0.000485 0.000060 True native_MD 7 4 315 CG_AB42_1 CG2_AB42_36 1 1.407519e-03 5.328216e-06 ; 3.947795e-01 9.295373e-02 2.212589e-03 1.370289e-04 0.000485 0.000060 True native_MD 7 4 316 CG_AB42_1 C_AB42_36 1 1.591097e-03 6.249678e-06 ; 3.972161e-01 1.012688e-01 1.236630e-03 1.084586e-04 0.000485 0.002166 True native_MD 7 4 317 CG_AB42_1 N_AB42_37 1 3.450960e-04 2.852082e-07 ; 3.063400e-01 1.043897e-01 1.357695e-03 1.175476e-04 0.000485 0.002166 True native_MD 7 4 319 @@ -1558,9 +1558,9 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CG_AB42_1 O_AB42_38 1 2.235673e-04 1.473111e-07 ; 2.949881e-01 8.482440e-02 7.559934e-04 1.827765e-04 0.000485 0.002166 True native_MD 7 4 328 CG_AB42_1 N_AB42_39 1 9.588925e-04 2.624186e-06 ; 3.739993e-01 8.759621e-02 8.213765e-04 5.003544e-05 0.000485 0.002166 True native_MD 7 4 329 CG_AB42_1 CA_AB42_39 1 1.924274e-03 8.011649e-06 ; 4.010906e-01 1.155452e-01 1.895770e-03 2.371698e-04 0.000485 0.001339 True native_MD 7 4 331 - CG_AB42_1 CB_AB42_39 1 0.000000e+00 1.302527e-05 ; 3.489211e-01 -1.302527e-05 2.828964e-03 7.911769e-04 0.000485 0.000060 True native_MD 7 4 332 - CG_AB42_1 CG1_AB42_39 1 0.000000e+00 4.720814e-06 ; 3.206243e-01 -4.720814e-06 2.064260e-03 9.424259e-04 0.000485 0.000060 True native_MD 7 4 333 - CG_AB42_1 CG2_AB42_39 1 0.000000e+00 4.719956e-06 ; 3.206194e-01 -4.719956e-06 1.758401e-03 4.550851e-04 0.000485 0.000060 True native_MD 7 4 334 + CG_AB42_1 CB_AB42_39 1 0.000000e+00 1.302520e-05 ; 3.489209e-01 -1.302520e-05 2.828964e-03 7.911769e-04 0.000485 0.000060 True native_MD 7 4 332 + CG_AB42_1 CG1_AB42_39 1 0.000000e+00 4.720752e-06 ; 3.206239e-01 -4.720752e-06 2.064260e-03 9.424259e-04 0.000485 0.000060 True native_MD 7 4 333 + CG_AB42_1 CG2_AB42_39 1 0.000000e+00 4.719894e-06 ; 3.206191e-01 -4.719894e-06 1.758401e-03 4.550851e-04 0.000485 0.000060 True native_MD 7 4 334 CG_AB42_1 C_AB42_39 1 1.262645e-03 4.938762e-06 ; 3.969381e-01 8.070197e-02 6.682518e-04 3.405899e-06 0.000485 0.002166 True native_MD 7 4 335 CG_AB42_1 O_AB42_39 1 4.958261e-04 8.018207e-07 ; 3.426031e-01 7.665165e-02 5.919696e-04 1.637127e-04 0.000485 0.002166 True native_MD 7 4 336 CG_AB42_1 CA_AB42_40 1 1.619842e-03 6.327051e-06 ; 3.968455e-01 1.036774e-01 1.329057e-03 7.981466e-05 0.000485 0.001339 True native_MD 7 4 339 @@ -1573,7 +1573,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CG_AB42_1 CB_AB42_41 1 1.254338e-03 4.276125e-06 ; 3.879472e-01 9.198544e-02 3.183594e-03 2.029615e-04 0.000485 0.000060 True native_MD 7 4 348 CG_AB42_1 CG1_AB42_41 1 1.187809e-03 3.749313e-06 ; 3.830018e-01 9.407662e-02 1.684175e-03 1.008567e-04 0.000485 0.000060 True native_MD 7 4 349 CG_AB42_1 CG2_AB42_41 1 6.713664e-04 1.291087e-06 ; 3.526409e-01 8.727778e-02 3.575650e-03 2.624429e-04 0.000485 0.000060 True native_MD 7 4 350 - CG_AB42_1 CD_AB42_41 1 0.000000e+00 4.716353e-06 ; 3.205990e-01 -4.716353e-06 2.431363e-03 3.657475e-04 0.000485 0.000060 True native_MD 7 4 351 + CG_AB42_1 CD_AB42_41 1 0.000000e+00 4.716292e-06 ; 3.205987e-01 -4.716292e-06 2.431363e-03 3.657475e-04 0.000485 0.000060 True native_MD 7 4 351 CG_AB42_1 C_AB42_41 1 1.088313e-03 2.733972e-06 ; 3.687002e-01 1.083062e-01 1.526522e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 4 352 CG_AB42_1 O_AB42_41 1 9.258521e-04 2.123775e-06 ; 3.631570e-01 1.009055e-01 1.223259e-03 3.308764e-05 0.000485 0.002166 True native_MD 7 4 353 CG_AB42_1 N_AB42_42 1 4.023170e-04 4.333223e-07 ; 3.201649e-01 9.338254e-02 9.766640e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 4 354 @@ -1584,31 +1584,31 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CG_AB42_1 O2_AB42_42 1 7.322550e-04 1.062076e-06 ; 3.364461e-01 1.262145e-01 2.608862e-03 1.729567e-06 0.000485 0.002166 True native_MD 7 4 360 OD1_AB42_1 OD1_AB42_1 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 5 OD1_AB42_1 OD2_AB42_1 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 6 - OD1_AB42_1 C_AB42_1 1 0.000000e+00 4.773093e-07 ; 2.648876e-01 -4.773093e-07 6.650416e-01 3.780806e-01 0.000485 0.000060 True native_MD 4 5 7 + OD1_AB42_1 C_AB42_1 1 0.000000e+00 4.773072e-07 ; 2.648875e-01 -4.773072e-07 6.650416e-01 3.780806e-01 0.000485 0.000060 True native_MD 4 5 7 OD1_AB42_1 O_AB42_1 1 0.000000e+00 1.295652e-06 ; 2.878740e-01 -1.295652e-06 2.671410e-01 1.309091e-01 0.000485 0.000060 True native_MD 5 5 8 OD1_AB42_1 N_AB42_2 1 0.000000e+00 1.040172e-06 ; 2.826531e-01 -1.040172e-06 5.494701e-01 2.429182e-01 0.000485 0.000060 True native_MD 5 5 9 OD1_AB42_1 H_AB42_2 1 2.743237e-06 2.516411e-11 ; 1.446837e-01 7.476272e-02 2.476224e-01 2.643162e-02 0.000485 0.000060 True native_MD 6 5 10 - OD1_AB42_1 CA_AB42_2 1 0.000000e+00 2.481212e-06 ; 3.038904e-01 -2.481212e-06 3.369572e-01 7.492778e-02 0.000485 0.000060 True native_MD 6 5 11 + OD1_AB42_1 CA_AB42_2 1 0.000000e+00 2.481232e-06 ; 3.038906e-01 -2.481232e-06 3.369572e-01 7.492778e-02 0.000485 0.000060 True native_MD 6 5 11 OD1_AB42_1 CB_AB42_2 1 7.482435e-04 1.335960e-06 ; 3.483040e-01 1.047689e-01 1.641554e-01 7.138533e-03 0.000485 0.000060 True native_MD 7 5 12 OD1_AB42_1 C_AB42_2 1 1.185534e-03 2.452331e-06 ; 3.569528e-01 1.432812e-01 4.263636e-02 2.124181e-02 0.000485 0.002166 True native_MD 7 5 13 OD1_AB42_1 O_AB42_2 1 0.000000e+00 1.331305e-06 ; 2.885259e-01 -1.331305e-06 1.373367e-01 2.487313e-02 0.000485 0.000060 True native_MD 7 5 14 OD1_AB42_1 N_AB42_3 1 1.673060e-04 6.328076e-08 ; 2.689222e-01 1.105837e-01 3.900152e-02 5.169602e-02 0.000485 0.002166 True native_MD 7 5 15 OD1_AB42_1 H_AB42_3 1 8.415070e-06 1.284705e-10 ; 1.575038e-01 1.378009e-01 1.700948e-02 2.450410e-02 0.000485 0.005316 True native_MD 7 5 16 OD1_AB42_1 CA_AB42_3 1 5.500094e-04 8.591706e-07 ; 3.406316e-01 8.802394e-02 2.527329e-02 4.067181e-02 0.000485 0.001339 True native_MD 7 5 17 - OD1_AB42_1 CB_AB42_3 1 0.000000e+00 1.648876e-06 ; 2.937158e-01 -1.648876e-06 2.437270e-02 3.492867e-02 0.000485 0.000060 True native_MD 7 5 18 - OD1_AB42_1 CG_AB42_3 1 0.000000e+00 1.663410e-06 ; 2.939307e-01 -1.663410e-06 1.583623e-02 3.530015e-02 0.000485 0.000060 True native_MD 7 5 19 - OD1_AB42_1 CD_AB42_3 1 0.000000e+00 6.781572e-07 ; 2.727549e-01 -6.781572e-07 3.382151e-03 1.646228e-02 0.000485 0.002166 True native_MD 7 5 20 + OD1_AB42_1 CB_AB42_3 1 0.000000e+00 1.648870e-06 ; 2.937157e-01 -1.648870e-06 2.437270e-02 3.492867e-02 0.000485 0.000060 True native_MD 7 5 18 + OD1_AB42_1 CG_AB42_3 1 0.000000e+00 1.663405e-06 ; 2.939306e-01 -1.663405e-06 1.583623e-02 3.530015e-02 0.000485 0.000060 True native_MD 7 5 19 + OD1_AB42_1 CD_AB42_3 1 0.000000e+00 6.781542e-07 ; 2.727548e-01 -6.781542e-07 3.382151e-03 1.646228e-02 0.000485 0.002166 True native_MD 7 5 20 OD1_AB42_1 OE1_AB42_3 1 0.000000e+00 1.523086e-06 ; 2.917799e-01 -1.523086e-06 1.915102e-02 3.454180e-02 0.000485 0.000060 True native_MD 7 5 21 OD1_AB42_1 OE2_AB42_3 1 0.000000e+00 1.523086e-06 ; 2.917799e-01 -1.523086e-06 1.915102e-02 3.454180e-02 0.000485 0.000060 True native_MD 7 5 22 OD1_AB42_1 C_AB42_3 1 4.357434e-04 5.386208e-07 ; 3.275986e-01 8.812895e-02 5.412773e-03 1.404838e-02 0.000485 0.002166 True native_MD 7 5 23 OD1_AB42_1 O_AB42_3 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 24 OD1_AB42_1 N_AB42_4 1 7.480484e-05 1.913757e-08 ; 2.519568e-01 7.309921e-02 5.598531e-03 2.278365e-02 0.000485 0.002166 True native_MD 7 5 25 OD1_AB42_1 H_AB42_4 1 5.550231e-06 6.379430e-11 ; 1.502260e-01 1.207203e-01 3.512099e-03 8.435407e-03 0.000485 0.005316 True native_MD 7 5 26 - OD1_AB42_1 CA_AB42_4 1 0.000000e+00 3.417494e-06 ; 3.121073e-01 -3.417494e-06 5.339237e-03 2.178213e-02 0.000485 0.001339 True native_MD 7 5 27 - OD1_AB42_1 CB_AB42_4 1 0.000000e+00 1.677838e-06 ; 2.941423e-01 -1.677838e-06 3.616954e-03 3.192312e-02 0.000485 0.000060 True native_MD 7 5 28 - OD1_AB42_1 CG_AB42_4 1 0.000000e+00 6.805437e-07 ; 2.728347e-01 -6.805437e-07 1.021535e-03 1.766675e-02 0.000485 0.003309 True native_MD 7 5 29 - OD1_AB42_1 CD1_AB42_4 1 0.000000e+00 6.871849e-07 ; 2.730556e-01 -6.871849e-07 2.748664e-03 2.931502e-02 0.000485 0.003309 True native_MD 7 5 30 - OD1_AB42_1 CD2_AB42_4 1 0.000000e+00 6.871849e-07 ; 2.730556e-01 -6.871849e-07 2.748664e-03 2.931502e-02 0.000485 0.003309 True native_MD 7 5 31 + OD1_AB42_1 CA_AB42_4 1 0.000000e+00 3.417522e-06 ; 3.121075e-01 -3.417522e-06 5.339237e-03 2.178213e-02 0.000485 0.001339 True native_MD 7 5 27 + OD1_AB42_1 CB_AB42_4 1 0.000000e+00 1.677832e-06 ; 2.941422e-01 -1.677832e-06 3.616954e-03 3.192312e-02 0.000485 0.000060 True native_MD 7 5 28 + OD1_AB42_1 CG_AB42_4 1 0.000000e+00 6.805407e-07 ; 2.728346e-01 -6.805407e-07 1.021535e-03 1.766675e-02 0.000485 0.003309 True native_MD 7 5 29 + OD1_AB42_1 CD1_AB42_4 1 0.000000e+00 6.871819e-07 ; 2.730555e-01 -6.871819e-07 2.748664e-03 2.931502e-02 0.000485 0.003309 True native_MD 7 5 30 + OD1_AB42_1 CD2_AB42_4 1 0.000000e+00 6.871819e-07 ; 2.730555e-01 -6.871819e-07 2.748664e-03 2.931502e-02 0.000485 0.003309 True native_MD 7 5 31 OD1_AB42_1 CE1_AB42_4 1 2.905178e-04 2.740349e-07 ; 3.131643e-01 7.699802e-02 5.739582e-03 3.175680e-02 0.000485 0.003309 True native_MD 7 5 32 OD1_AB42_1 CE2_AB42_4 1 2.905178e-04 2.740349e-07 ; 3.131643e-01 7.699802e-02 5.739582e-03 3.175680e-02 0.000485 0.003309 True native_MD 7 5 33 OD1_AB42_1 CZ_AB42_4 1 4.333972e-04 4.720596e-07 ; 3.207636e-01 9.947534e-02 7.782856e-03 2.197684e-02 0.000485 0.003309 True native_MD 7 5 34 @@ -1616,10 +1616,10 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD1_AB42_1 O_AB42_4 1 0.000000e+00 1.520279e-06 ; 2.917350e-01 -1.520279e-06 2.632309e-03 1.615166e-02 0.000485 0.000060 True native_MD 7 5 36 OD1_AB42_1 N_AB42_5 1 1.127792e-04 3.777434e-08 ; 2.635287e-01 8.417851e-02 1.820871e-03 5.319054e-03 0.000485 0.002166 True native_MD 7 5 37 OD1_AB42_1 H_AB42_5 1 5.252723e-06 9.604780e-11 ; 1.623119e-01 7.181607e-02 5.122158e-04 7.527318e-04 0.000485 0.005316 True native_MD 7 5 38 - OD1_AB42_1 CA_AB42_5 1 0.000000e+00 3.376518e-06 ; 3.117938e-01 -3.376518e-06 2.053446e-03 6.309317e-03 0.000485 0.001339 True native_MD 7 5 39 - OD1_AB42_1 CB_AB42_5 1 0.000000e+00 1.631981e-06 ; 2.934638e-01 -1.631981e-06 5.469555e-03 5.671272e-03 0.000485 0.000060 True native_MD 7 5 40 - OD1_AB42_1 CG_AB42_5 1 0.000000e+00 1.619388e-06 ; 2.932745e-01 -1.619388e-06 1.553058e-02 8.014207e-03 0.000485 0.000060 True native_MD 7 5 41 - OD1_AB42_1 CD_AB42_5 1 0.000000e+00 1.609821e-06 ; 2.931297e-01 -1.609821e-06 2.243530e-02 9.055757e-03 0.000485 0.000060 True native_MD 7 5 42 + OD1_AB42_1 CA_AB42_5 1 0.000000e+00 3.376546e-06 ; 3.117940e-01 -3.376546e-06 2.053446e-03 6.309317e-03 0.000485 0.001339 True native_MD 7 5 39 + OD1_AB42_1 CB_AB42_5 1 0.000000e+00 1.631976e-06 ; 2.934638e-01 -1.631976e-06 5.469555e-03 5.671272e-03 0.000485 0.000060 True native_MD 7 5 40 + OD1_AB42_1 CG_AB42_5 1 0.000000e+00 1.619382e-06 ; 2.932744e-01 -1.619382e-06 1.553058e-02 8.014207e-03 0.000485 0.000060 True native_MD 7 5 41 + OD1_AB42_1 CD_AB42_5 1 0.000000e+00 1.609816e-06 ; 2.931296e-01 -1.609816e-06 2.243530e-02 9.055757e-03 0.000485 0.000060 True native_MD 7 5 42 OD1_AB42_1 NE_AB42_5 1 1.586086e-04 3.672341e-08 ; 2.478008e-01 1.712579e-01 2.431378e-02 5.244048e-03 0.000485 0.002166 True native_MD 7 5 43 OD1_AB42_1 CZ_AB42_5 1 5.747970e-04 4.605707e-07 ; 3.047640e-01 1.793382e-01 4.692641e-02 7.947088e-03 0.000485 0.002166 True native_MD 7 5 44 OD1_AB42_1 NH1_AB42_5 1 1.352514e-04 2.729951e-08 ; 2.421971e-01 1.675207e-01 2.966577e-02 7.155495e-03 0.000485 0.002166 True native_MD 7 5 45 @@ -1627,10 +1627,10 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD1_AB42_1 O_AB42_5 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 48 OD1_AB42_1 N_AB42_6 1 7.473446e-05 1.896110e-08 ; 2.516076e-01 7.364075e-02 6.444419e-04 2.580446e-03 0.000485 0.002166 True native_MD 7 5 49 OD1_AB42_1 H_AB42_6 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 50 - OD1_AB42_1 CA_AB42_6 1 0.000000e+00 3.372984e-06 ; 3.117666e-01 -3.372984e-06 1.059738e-03 4.264412e-03 0.000485 0.001339 True native_MD 7 5 51 - OD1_AB42_1 CB_AB42_6 1 0.000000e+00 1.640718e-06 ; 2.935944e-01 -1.640718e-06 9.042079e-04 6.460699e-03 0.000485 0.000060 True native_MD 7 5 52 - OD1_AB42_1 CG_AB42_6 1 0.000000e+00 6.723996e-07 ; 2.725612e-01 -6.723996e-07 5.085300e-04 4.987462e-03 0.000485 0.002166 True native_MD 7 5 53 - OD1_AB42_1 ND1_AB42_6 1 0.000000e+00 5.121496e-07 ; 2.664473e-01 -5.121496e-07 1.291265e-03 6.172896e-03 0.000485 0.002166 True native_MD 7 5 54 + OD1_AB42_1 CA_AB42_6 1 0.000000e+00 3.373012e-06 ; 3.117668e-01 -3.373012e-06 1.059738e-03 4.264412e-03 0.000485 0.001339 True native_MD 7 5 51 + OD1_AB42_1 CB_AB42_6 1 0.000000e+00 1.640713e-06 ; 2.935944e-01 -1.640713e-06 9.042079e-04 6.460699e-03 0.000485 0.000060 True native_MD 7 5 52 + OD1_AB42_1 CG_AB42_6 1 0.000000e+00 6.723966e-07 ; 2.725611e-01 -6.723966e-07 5.085300e-04 4.987462e-03 0.000485 0.002166 True native_MD 7 5 53 + OD1_AB42_1 ND1_AB42_6 1 0.000000e+00 5.121470e-07 ; 2.664472e-01 -5.121470e-07 1.291265e-03 6.172896e-03 0.000485 0.002166 True native_MD 7 5 54 OD1_AB42_1 CD2_AB42_6 1 3.287210e-04 2.917097e-07 ; 3.099944e-01 9.260703e-02 2.050691e-03 7.111997e-03 0.000485 0.003309 True native_MD 7 5 55 OD1_AB42_1 CE1_AB42_6 1 1.801657e-04 9.391484e-08 ; 2.836898e-01 8.640724e-02 2.397501e-03 1.000983e-02 0.000485 0.003309 True native_MD 7 5 56 OD1_AB42_1 NE2_AB42_6 1 7.820508e-05 1.985261e-08 ; 2.516308e-01 7.701803e-02 2.545081e-03 9.211309e-03 0.000485 0.002166 True native_MD 7 5 57 @@ -1638,8 +1638,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD1_AB42_1 N_AB42_7 1 1.475326e-04 7.347179e-08 ; 2.815391e-01 7.406197e-02 5.478255e-04 1.855571e-03 0.000485 0.002166 True native_MD 7 5 60 OD1_AB42_1 H_AB42_7 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 61 OD1_AB42_1 CA_AB42_7 1 3.746729e-04 4.920753e-07 ; 3.309252e-01 7.132030e-02 1.137607e-03 3.017975e-03 0.000485 0.001339 True native_MD 7 5 62 - OD1_AB42_1 CB_AB42_7 1 0.000000e+00 1.635475e-06 ; 2.935161e-01 -1.635475e-06 7.396783e-04 3.082639e-03 0.000485 0.000060 True native_MD 7 5 63 - OD1_AB42_1 CG_AB42_7 1 0.000000e+00 6.709771e-07 ; 2.725131e-01 -6.709771e-07 5.235511e-04 2.877553e-03 0.000485 0.002166 True native_MD 7 5 64 + OD1_AB42_1 CB_AB42_7 1 0.000000e+00 1.635469e-06 ; 2.935161e-01 -1.635469e-06 7.396783e-04 3.082639e-03 0.000485 0.000060 True native_MD 7 5 63 + OD1_AB42_1 CG_AB42_7 1 0.000000e+00 6.709742e-07 ; 2.725130e-01 -6.709742e-07 5.235511e-04 2.877553e-03 0.000485 0.002166 True native_MD 7 5 64 OD1_AB42_1 OD1_AB42_7 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 65 OD1_AB42_1 OD2_AB42_7 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 66 OD1_AB42_1 C_AB42_7 1 3.503897e-04 4.322257e-07 ; 3.274864e-01 7.101207e-02 5.000388e-04 1.009191e-03 0.000485 0.002166 True native_MD 7 5 67 @@ -1647,7 +1647,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD1_AB42_1 N_AB42_8 1 7.314565e-05 1.597336e-08 ; 2.453963e-01 8.373765e-02 7.318024e-04 2.034880e-03 0.000485 0.002166 True native_MD 7 5 69 OD1_AB42_1 H_AB42_8 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 70 OD1_AB42_1 CA_AB42_8 1 3.367750e-04 3.842448e-07 ; 3.232546e-01 7.379242e-02 1.599955e-03 3.941866e-03 0.000485 0.001339 True native_MD 7 5 71 - OD1_AB42_1 CB_AB42_8 1 0.000000e+00 1.636146e-06 ; 2.935262e-01 -1.636146e-06 1.808353e-03 4.562714e-03 0.000485 0.000060 True native_MD 7 5 72 + OD1_AB42_1 CB_AB42_8 1 0.000000e+00 1.636141e-06 ; 2.935261e-01 -1.636141e-06 1.808353e-03 4.562714e-03 0.000485 0.000060 True native_MD 7 5 72 OD1_AB42_1 OG_AB42_8 1 6.064175e-05 1.107664e-08 ; 2.381987e-01 8.299949e-02 1.270655e-03 3.845121e-03 0.000485 0.002166 True native_MD 7 5 73 OD1_AB42_1 C_AB42_8 1 4.130743e-04 5.961003e-07 ; 3.361619e-01 7.156112e-02 5.083227e-04 1.431995e-03 0.000485 0.002166 True native_MD 7 5 74 OD1_AB42_1 O_AB42_8 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 75 @@ -1658,7 +1658,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD1_AB42_1 N_AB42_10 1 1.945034e-04 1.264746e-07 ; 2.943378e-01 7.478098e-02 5.597408e-04 9.157089e-04 0.000485 0.002166 True native_MD 7 5 81 OD1_AB42_1 H_AB42_10 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 82 OD1_AB42_1 CA_AB42_10 1 7.175593e-04 1.605173e-06 ; 3.616407e-01 8.019249e-02 6.581405e-04 1.096189e-03 0.000485 0.001339 True native_MD 7 5 83 - OD1_AB42_1 CB_AB42_10 1 0.000000e+00 1.633382e-06 ; 2.934848e-01 -1.633382e-06 5.420476e-04 1.602151e-03 0.000485 0.000060 True native_MD 7 5 84 + OD1_AB42_1 CB_AB42_10 1 0.000000e+00 1.633376e-06 ; 2.934847e-01 -1.633376e-06 5.420476e-04 1.602151e-03 0.000485 0.000060 True native_MD 7 5 84 OD1_AB42_1 CD1_AB42_10 1 3.150212e-04 3.435812e-07 ; 3.208349e-01 7.220880e-02 5.182713e-04 1.545335e-03 0.000485 0.003309 True native_MD 7 5 86 OD1_AB42_1 CD2_AB42_10 1 3.150212e-04 3.435812e-07 ; 3.208349e-01 7.220880e-02 5.182713e-04 1.545335e-03 0.000485 0.003309 True native_MD 7 5 87 OD1_AB42_1 CE1_AB42_10 1 3.182118e-04 2.192310e-07 ; 2.971878e-01 1.154704e-01 1.891532e-03 2.334103e-03 0.000485 0.003309 True native_MD 7 5 88 @@ -1667,20 +1667,20 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD1_AB42_1 OH_AB42_10 1 8.415300e-05 1.528098e-08 ; 2.379653e-01 1.158585e-01 2.568467e-03 2.907358e-03 0.000485 0.002166 True native_MD 7 5 91 OD1_AB42_1 O_AB42_10 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 93 OD1_AB42_1 H_AB42_11 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 95 - OD1_AB42_1 CB_AB42_11 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 97 - OD1_AB42_1 CG_AB42_11 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 98 + OD1_AB42_1 CB_AB42_11 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 97 + OD1_AB42_1 CG_AB42_11 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 98 OD1_AB42_1 CD_AB42_11 1 6.472377e-04 1.315514e-06 ; 3.559087e-01 7.961085e-02 6.467839e-04 8.314154e-04 0.000485 0.002166 True native_MD 7 5 99 OD1_AB42_1 OE1_AB42_11 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 100 OD1_AB42_1 OE2_AB42_11 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 101 OD1_AB42_1 O_AB42_11 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 103 OD1_AB42_1 H_AB42_12 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 105 - OD1_AB42_1 CB_AB42_12 1 0.000000e+00 3.363098e-06 ; 3.116903e-01 -3.363098e-06 1.031882e-03 1.296215e-03 0.000485 0.000060 True native_MD 7 5 107 - OD1_AB42_1 CG1_AB42_12 1 0.000000e+00 1.218260e-06 ; 2.864002e-01 -1.218260e-06 5.079668e-04 1.161077e-03 0.000485 0.000060 True native_MD 7 5 108 + OD1_AB42_1 CB_AB42_12 1 0.000000e+00 3.363125e-06 ; 3.116905e-01 -3.363125e-06 1.031882e-03 1.296215e-03 0.000485 0.000060 True native_MD 7 5 107 + OD1_AB42_1 CG1_AB42_12 1 0.000000e+00 1.218261e-06 ; 2.864002e-01 -1.218261e-06 5.079668e-04 1.161077e-03 0.000485 0.000060 True native_MD 7 5 108 OD1_AB42_1 CG2_AB42_12 1 0.000000e+00 1.217713e-06 ; 2.863895e-01 -1.217713e-06 8.890580e-04 1.092528e-03 0.000485 0.000060 True native_MD 7 5 109 OD1_AB42_1 O_AB42_12 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 111 OD1_AB42_1 H_AB42_13 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 113 OD1_AB42_1 CA_AB42_13 1 2.455882e-04 1.849527e-07 ; 3.016307e-01 8.152567e-02 6.849288e-04 5.184370e-04 0.000485 0.001339 True native_MD 7 5 114 - OD1_AB42_1 CB_AB42_13 1 0.000000e+00 1.631488e-06 ; 2.934565e-01 -1.631488e-06 1.170454e-03 1.070169e-03 0.000485 0.000060 True native_MD 7 5 115 + OD1_AB42_1 CB_AB42_13 1 0.000000e+00 1.631483e-06 ; 2.934564e-01 -1.631483e-06 1.170454e-03 1.070169e-03 0.000485 0.000060 True native_MD 7 5 115 OD1_AB42_1 CG_AB42_13 1 7.600052e-04 2.019084e-06 ; 3.721542e-01 7.151857e-02 5.076758e-04 4.952062e-04 0.000485 0.002166 True native_MD 7 5 116 OD1_AB42_1 ND1_AB42_13 1 6.091062e-04 1.022269e-06 ; 3.447297e-01 9.073208e-02 9.021901e-04 1.241982e-03 0.000485 0.002166 True native_MD 7 5 117 OD1_AB42_1 CD2_AB42_13 1 3.939163e-04 3.351822e-07 ; 3.078313e-01 1.157356e-01 1.906603e-03 1.235307e-03 0.000485 0.003309 True native_MD 7 5 118 @@ -1690,7 +1690,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD1_AB42_1 N_AB42_14 1 8.373966e-05 2.312614e-08 ; 2.551890e-01 7.580524e-02 5.771636e-04 3.046603e-04 0.000485 0.002166 True native_MD 7 5 123 OD1_AB42_1 H_AB42_14 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 124 OD1_AB42_1 CA_AB42_14 1 3.366385e-04 2.485852e-07 ; 3.006436e-01 1.139704e-01 1.808503e-03 5.710782e-04 0.000485 0.001339 True native_MD 7 5 125 - OD1_AB42_1 CB_AB42_14 1 0.000000e+00 1.630103e-06 ; 2.934357e-01 -1.630103e-06 1.942015e-03 9.925118e-04 0.000485 0.000060 True native_MD 7 5 126 + OD1_AB42_1 CB_AB42_14 1 0.000000e+00 1.630097e-06 ; 2.934356e-01 -1.630097e-06 1.942015e-03 9.925118e-04 0.000485 0.000060 True native_MD 7 5 126 OD1_AB42_1 CG_AB42_14 1 2.912936e-04 2.595053e-07 ; 3.101958e-01 8.174394e-02 6.894173e-04 6.814839e-04 0.000485 0.002166 True native_MD 7 5 127 OD1_AB42_1 ND1_AB42_14 1 5.260050e-04 5.820010e-07 ; 3.216046e-01 1.188492e-01 2.092793e-03 8.744070e-04 0.000485 0.002166 True native_MD 7 5 128 OD1_AB42_1 CD2_AB42_14 1 3.544861e-04 2.548103e-07 ; 2.992974e-01 1.232881e-01 2.390112e-03 1.028983e-03 0.000485 0.003309 True native_MD 7 5 129 @@ -1701,8 +1701,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD1_AB42_1 N_AB42_15 1 9.684337e-05 2.365022e-08 ; 2.500120e-01 9.913901e-02 1.160273e-03 2.090345e-04 0.000485 0.002166 True native_MD 7 5 134 OD1_AB42_1 H_AB42_15 1 3.709219e-06 3.917372e-11 ; 1.481217e-01 8.780317e-02 8.264793e-04 2.378243e-05 0.000485 0.005316 True native_MD 7 5 135 OD1_AB42_1 CA_AB42_15 1 6.110183e-04 8.584140e-07 ; 3.346625e-01 1.087306e-01 1.546031e-03 4.848334e-04 0.000485 0.001339 True native_MD 7 5 136 - OD1_AB42_1 CB_AB42_15 1 0.000000e+00 1.630172e-06 ; 2.934367e-01 -1.630172e-06 1.410212e-03 5.030051e-04 0.000485 0.000060 True native_MD 7 5 137 - OD1_AB42_1 CG_AB42_15 1 0.000000e+00 1.630216e-06 ; 2.934374e-01 -1.630216e-06 1.625439e-03 7.453612e-04 0.000485 0.000060 True native_MD 7 5 138 + OD1_AB42_1 CB_AB42_15 1 0.000000e+00 1.630166e-06 ; 2.934366e-01 -1.630166e-06 1.410212e-03 5.030051e-04 0.000485 0.000060 True native_MD 7 5 137 + OD1_AB42_1 CG_AB42_15 1 0.000000e+00 1.630210e-06 ; 2.934373e-01 -1.630210e-06 1.625439e-03 7.453612e-04 0.000485 0.000060 True native_MD 7 5 138 OD1_AB42_1 CD_AB42_15 1 4.985532e-04 6.931836e-07 ; 3.340843e-01 8.964267e-02 8.732516e-04 6.606548e-04 0.000485 0.002166 True native_MD 7 5 139 OD1_AB42_1 OE1_AB42_15 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 140 OD1_AB42_1 NE2_AB42_15 1 1.414285e-04 4.508362e-08 ; 2.613647e-01 1.109162e-01 1.650532e-03 8.992092e-04 0.000485 0.002166 True native_MD 7 5 141 @@ -1720,8 +1720,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD1_AB42_1 N_AB42_17 1 1.325859e-04 4.021734e-08 ; 2.592105e-01 1.092751e-01 1.571434e-03 1.691060e-04 0.000485 0.002166 True native_MD 7 5 154 OD1_AB42_1 H_AB42_17 1 6.058051e-06 9.227958e-11 ; 1.574450e-01 9.942606e-02 1.170283e-03 3.246275e-05 0.000485 0.005316 True native_MD 7 5 155 OD1_AB42_1 CA_AB42_17 1 7.104026e-04 1.091733e-06 ; 3.397050e-01 1.155667e-01 1.896991e-03 1.796763e-04 0.000485 0.001339 True native_MD 7 5 156 - OD1_AB42_1 CB_AB42_17 1 0.000000e+00 1.629268e-06 ; 2.934232e-01 -1.629268e-06 1.774835e-03 3.138118e-04 0.000485 0.000060 True native_MD 7 5 157 - OD1_AB42_1 CG_AB42_17 1 0.000000e+00 3.357973e-06 ; 3.116507e-01 -3.357973e-06 2.060911e-03 8.008615e-04 0.000485 0.000060 True native_MD 7 5 158 + OD1_AB42_1 CB_AB42_17 1 0.000000e+00 1.629263e-06 ; 2.934231e-01 -1.629263e-06 1.774835e-03 3.138118e-04 0.000485 0.000060 True native_MD 7 5 157 + OD1_AB42_1 CG_AB42_17 1 0.000000e+00 3.358000e-06 ; 3.116509e-01 -3.358000e-06 2.060911e-03 8.008615e-04 0.000485 0.000060 True native_MD 7 5 158 OD1_AB42_1 CD1_AB42_17 1 0.000000e+00 1.216594e-06 ; 2.863676e-01 -1.216594e-06 1.482697e-03 7.672843e-04 0.000485 0.000060 True native_MD 7 5 159 OD1_AB42_1 CD2_AB42_17 1 0.000000e+00 1.216129e-06 ; 2.863584e-01 -1.216129e-06 1.839220e-03 7.413812e-04 0.000485 0.000060 True native_MD 7 5 160 OD1_AB42_1 C_AB42_17 1 5.488030e-04 8.640076e-07 ; 3.410752e-01 8.714760e-02 8.104230e-04 5.002262e-05 0.000485 0.002166 True native_MD 7 5 161 @@ -1729,14 +1729,14 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD1_AB42_1 N_AB42_18 1 9.232646e-05 2.821979e-08 ; 2.595402e-01 7.551593e-02 5.721882e-04 1.761901e-06 0.000485 0.002166 True native_MD 7 5 163 OD1_AB42_1 H_AB42_18 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 164 OD1_AB42_1 CA_AB42_18 1 3.012720e-04 3.056387e-07 ; 3.169871e-01 7.424192e-02 5.507835e-04 3.615165e-04 0.000485 0.001339 True native_MD 7 5 165 - OD1_AB42_1 CB_AB42_18 1 0.000000e+00 3.359976e-06 ; 3.116662e-01 -3.359976e-06 1.366813e-03 7.025145e-04 0.000485 0.000060 True native_MD 7 5 166 + OD1_AB42_1 CB_AB42_18 1 0.000000e+00 3.360003e-06 ; 3.116664e-01 -3.360003e-06 1.366813e-03 7.025145e-04 0.000485 0.000060 True native_MD 7 5 166 OD1_AB42_1 CG1_AB42_18 1 0.000000e+00 1.217337e-06 ; 2.863821e-01 -1.217337e-06 1.059289e-03 9.541997e-04 0.000485 0.000060 True native_MD 7 5 167 - OD1_AB42_1 CG2_AB42_18 1 0.000000e+00 1.216911e-06 ; 2.863738e-01 -1.216911e-06 1.104546e-03 6.496213e-04 0.000485 0.000060 True native_MD 7 5 168 + OD1_AB42_1 CG2_AB42_18 1 0.000000e+00 1.216912e-06 ; 2.863738e-01 -1.216912e-06 1.104546e-03 6.496213e-04 0.000485 0.000060 True native_MD 7 5 168 OD1_AB42_1 O_AB42_18 1 8.196078e-04 2.065349e-06 ; 3.688909e-01 8.131275e-02 9.421363e-04 8.266451e-05 0.000485 0.000060 True native_MD 7 5 170 OD1_AB42_1 N_AB42_19 1 9.934130e-05 2.903850e-08 ; 2.576167e-01 8.496215e-02 7.591162e-04 1.329336e-04 0.000485 0.002166 True native_MD 7 5 171 OD1_AB42_1 H_AB42_19 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 172 OD1_AB42_1 CA_AB42_19 1 4.446153e-04 4.418667e-07 ; 3.159011e-01 1.118453e-01 1.697067e-03 4.866419e-04 0.000485 0.001339 True native_MD 7 5 173 - OD1_AB42_1 CB_AB42_19 1 0.000000e+00 1.629936e-06 ; 2.934332e-01 -1.629936e-06 1.984713e-03 9.330309e-04 0.000485 0.000060 True native_MD 7 5 174 + OD1_AB42_1 CB_AB42_19 1 0.000000e+00 1.629930e-06 ; 2.934331e-01 -1.629930e-06 1.984713e-03 9.330309e-04 0.000485 0.000060 True native_MD 7 5 174 OD1_AB42_1 CG_AB42_19 1 8.841301e-04 2.288205e-06 ; 3.705355e-01 8.540386e-02 7.692172e-04 6.700209e-04 0.000485 0.003309 True native_MD 7 5 175 OD1_AB42_1 CD1_AB42_19 1 3.107238e-04 2.440255e-07 ; 3.037457e-01 9.891312e-02 1.152456e-03 6.411503e-04 0.000485 0.003309 True native_MD 7 5 176 OD1_AB42_1 CD2_AB42_19 1 3.107238e-04 2.440255e-07 ; 3.037457e-01 9.891312e-02 1.152456e-03 6.411503e-04 0.000485 0.003309 True native_MD 7 5 177 @@ -1748,7 +1748,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD1_AB42_1 N_AB42_20 1 1.087102e-04 2.797789e-08 ; 2.522072e-01 1.056004e-01 1.407784e-03 2.850009e-04 0.000485 0.002166 True native_MD 7 5 183 OD1_AB42_1 H_AB42_20 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 184 OD1_AB42_1 CA_AB42_20 1 4.858040e-04 4.783330e-07 ; 3.154120e-01 1.233479e-01 2.394392e-03 4.300221e-04 0.000485 0.001339 True native_MD 7 5 185 - OD1_AB42_1 CB_AB42_20 1 0.000000e+00 1.629044e-06 ; 2.934198e-01 -1.629044e-06 2.240195e-03 6.417527e-04 0.000485 0.000060 True native_MD 7 5 186 + OD1_AB42_1 CB_AB42_20 1 0.000000e+00 1.629038e-06 ; 2.934197e-01 -1.629038e-06 2.240195e-03 6.417527e-04 0.000485 0.000060 True native_MD 7 5 186 OD1_AB42_1 CG_AB42_20 1 7.686838e-04 1.628003e-06 ; 3.583587e-01 9.073613e-02 9.022996e-04 4.576484e-04 0.000485 0.003309 True native_MD 7 5 187 OD1_AB42_1 CD1_AB42_20 1 3.812547e-04 3.457225e-07 ; 3.111134e-01 1.051097e-01 1.387264e-03 4.632265e-04 0.000485 0.003309 True native_MD 7 5 188 OD1_AB42_1 CD2_AB42_20 1 3.812547e-04 3.457225e-07 ; 3.111134e-01 1.051097e-01 1.387264e-03 4.632265e-04 0.000485 0.003309 True native_MD 7 5 189 @@ -1767,7 +1767,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD1_AB42_1 H_AB42_22 1 3.179468e-06 3.093168e-11 ; 1.461083e-01 8.170441e-02 6.886024e-04 0.000000e+00 0.000485 0.005316 True native_MD 7 5 202 OD1_AB42_1 CA_AB42_22 1 4.874904e-04 6.036870e-07 ; 3.276984e-01 9.841476e-02 1.135396e-03 1.859696e-04 0.000485 0.001339 True native_MD 7 5 203 OD1_AB42_1 CB_AB42_22 1 4.342861e-04 5.322459e-07 ; 3.271318e-01 8.858896e-02 1.446738e-03 1.021007e-04 0.000485 0.000060 True native_MD 7 5 204 - OD1_AB42_1 CG_AB42_22 1 0.000000e+00 1.629789e-06 ; 2.934310e-01 -1.629789e-06 1.361557e-03 2.195489e-04 0.000485 0.000060 True native_MD 7 5 205 + OD1_AB42_1 CG_AB42_22 1 0.000000e+00 1.629783e-06 ; 2.934309e-01 -1.629783e-06 1.361557e-03 2.195489e-04 0.000485 0.000060 True native_MD 7 5 205 OD1_AB42_1 CD_AB42_22 1 7.120323e-04 1.455663e-06 ; 3.562544e-01 8.707201e-02 8.085919e-04 1.180433e-04 0.000485 0.002166 True native_MD 7 5 206 OD1_AB42_1 OE1_AB42_22 1 4.481804e-04 6.867306e-07 ; 3.395384e-01 7.312388e-02 3.652258e-03 4.094443e-04 0.000485 0.000060 True native_MD 7 5 207 OD1_AB42_1 OE2_AB42_22 1 4.481804e-04 6.867306e-07 ; 3.395384e-01 7.312388e-02 3.652258e-03 4.094443e-04 0.000485 0.000060 True native_MD 7 5 208 @@ -1776,7 +1776,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD1_AB42_1 N_AB42_23 1 1.404029e-04 6.307739e-08 ; 2.767470e-01 7.813017e-02 6.187500e-04 5.121984e-05 0.000485 0.002166 True native_MD 7 5 211 OD1_AB42_1 H_AB42_23 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 212 OD1_AB42_1 CA_AB42_23 1 5.833114e-04 9.531561e-07 ; 3.431973e-01 8.924357e-02 8.628839e-04 1.152308e-04 0.000485 0.001339 True native_MD 7 5 213 - OD1_AB42_1 CB_AB42_23 1 0.000000e+00 1.630568e-06 ; 2.934427e-01 -1.630568e-06 1.022984e-03 3.587737e-04 0.000485 0.000060 True native_MD 7 5 214 + OD1_AB42_1 CB_AB42_23 1 0.000000e+00 1.630563e-06 ; 2.934426e-01 -1.630563e-06 1.022984e-03 3.587737e-04 0.000485 0.000060 True native_MD 7 5 214 OD1_AB42_1 CG_AB42_23 1 5.298976e-04 9.086173e-07 ; 3.459645e-01 7.725789e-02 6.028074e-04 1.913449e-04 0.000485 0.002166 True native_MD 7 5 215 OD1_AB42_1 OD1_AB42_23 1 4.293955e-04 6.267813e-07 ; 3.368034e-01 7.354259e-02 3.136356e-03 3.472297e-04 0.000485 0.000060 True native_MD 7 5 216 OD1_AB42_1 OD2_AB42_23 1 4.293955e-04 6.267813e-07 ; 3.368034e-01 7.354259e-02 3.136356e-03 3.472297e-04 0.000485 0.000060 True native_MD 7 5 217 @@ -1834,8 +1834,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD1_AB42_1 N_AB42_31 1 1.129731e-04 3.804545e-08 ; 2.637675e-01 8.386630e-02 7.346253e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 5 270 OD1_AB42_1 H_AB42_31 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 271 OD1_AB42_1 CA_AB42_31 1 5.990106e-04 9.759619e-07 ; 3.430308e-01 9.191285e-02 9.346395e-04 1.471312e-04 0.000485 0.001339 True native_MD 7 5 272 - OD1_AB42_1 CB_AB42_31 1 0.000000e+00 3.357805e-06 ; 3.116494e-01 -3.357805e-06 1.562207e-03 2.523856e-04 0.000485 0.000060 True native_MD 7 5 273 - OD1_AB42_1 CG1_AB42_31 1 0.000000e+00 1.630160e-06 ; 2.934365e-01 -1.630160e-06 1.167369e-03 2.528229e-04 0.000485 0.000060 True native_MD 7 5 274 + OD1_AB42_1 CB_AB42_31 1 0.000000e+00 3.357833e-06 ; 3.116496e-01 -3.357833e-06 1.562207e-03 2.523856e-04 0.000485 0.000060 True native_MD 7 5 273 + OD1_AB42_1 CG1_AB42_31 1 0.000000e+00 1.630154e-06 ; 2.934364e-01 -1.630154e-06 1.167369e-03 2.528229e-04 0.000485 0.000060 True native_MD 7 5 274 OD1_AB42_1 CG2_AB42_31 1 0.000000e+00 1.216150e-06 ; 2.863588e-01 -1.216150e-06 1.428785e-03 3.485892e-04 0.000485 0.000060 True native_MD 7 5 275 OD1_AB42_1 CD_AB42_31 1 3.785661e-04 5.038021e-07 ; 3.316549e-01 7.111537e-02 2.270205e-03 2.702728e-04 0.000485 0.000060 True native_MD 7 5 276 OD1_AB42_1 O_AB42_31 1 6.227350e-04 8.712757e-07 ; 3.344327e-01 1.112733e-01 1.668267e-03 5.784278e-05 0.000485 0.000060 True native_MD 7 5 278 @@ -1843,8 +1843,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD1_AB42_1 H_AB42_32 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 280 OD1_AB42_1 CA_AB42_32 1 5.021473e-04 6.510168e-07 ; 3.302125e-01 9.683003e-02 1.082807e-03 1.335957e-04 0.000485 0.001339 True native_MD 7 5 281 OD1_AB42_1 CB_AB42_32 1 5.841105e-04 1.202985e-06 ; 3.566927e-01 7.090384e-02 1.181957e-03 1.416081e-04 0.000485 0.000060 True native_MD 7 5 282 - OD1_AB42_1 CG1_AB42_32 1 0.000000e+00 1.630633e-06 ; 2.934436e-01 -1.630633e-06 8.472924e-04 2.226336e-04 0.000485 0.000060 True native_MD 7 5 283 - OD1_AB42_1 CG2_AB42_32 1 0.000000e+00 1.216482e-06 ; 2.863653e-01 -1.216482e-06 9.574570e-04 1.496300e-04 0.000485 0.000060 True native_MD 7 5 284 + OD1_AB42_1 CG1_AB42_32 1 0.000000e+00 1.630627e-06 ; 2.934435e-01 -1.630627e-06 8.472924e-04 2.226336e-04 0.000485 0.000060 True native_MD 7 5 283 + OD1_AB42_1 CG2_AB42_32 1 0.000000e+00 1.216482e-06 ; 2.863654e-01 -1.216482e-06 9.574570e-04 1.496300e-04 0.000485 0.000060 True native_MD 7 5 284 OD1_AB42_1 CD_AB42_32 1 0.000000e+00 1.216515e-06 ; 2.863660e-01 -1.216515e-06 1.012550e-03 2.320995e-04 0.000485 0.000060 True native_MD 7 5 285 OD1_AB42_1 C_AB42_32 1 4.276004e-04 5.385423e-07 ; 3.286222e-01 8.487823e-02 7.572121e-04 1.675781e-05 0.000485 0.002166 True native_MD 7 5 286 OD1_AB42_1 O_AB42_32 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 287 @@ -1856,17 +1856,17 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD1_AB42_1 N_AB42_34 1 1.114935e-04 3.160787e-08 ; 2.563053e-01 9.832042e-02 1.132195e-03 6.927886e-05 0.000485 0.002166 True native_MD 7 5 293 OD1_AB42_1 H_AB42_34 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 294 OD1_AB42_1 CA_AB42_34 1 5.314421e-04 7.498916e-07 ; 3.349066e-01 9.415716e-02 9.995687e-04 5.073046e-05 0.000485 0.001339 True native_MD 7 5 295 - OD1_AB42_1 CB_AB42_34 1 0.000000e+00 1.630651e-06 ; 2.934439e-01 -1.630651e-06 7.443128e-04 1.308822e-04 0.000485 0.000060 True native_MD 7 5 296 - OD1_AB42_1 CG_AB42_34 1 0.000000e+00 3.358174e-06 ; 3.116522e-01 -3.358174e-06 1.461769e-03 2.615032e-04 0.000485 0.000060 True native_MD 7 5 297 + OD1_AB42_1 CB_AB42_34 1 0.000000e+00 1.630646e-06 ; 2.934438e-01 -1.630646e-06 7.443128e-04 1.308822e-04 0.000485 0.000060 True native_MD 7 5 296 + OD1_AB42_1 CG_AB42_34 1 0.000000e+00 3.358201e-06 ; 3.116525e-01 -3.358201e-06 1.461769e-03 2.615032e-04 0.000485 0.000060 True native_MD 7 5 297 OD1_AB42_1 CD1_AB42_34 1 5.409368e-04 9.948455e-07 ; 3.500270e-01 7.353218e-02 1.917522e-03 2.123573e-04 0.000485 0.000060 True native_MD 7 5 298 OD1_AB42_1 CD2_AB42_34 1 4.882814e-04 7.783410e-07 ; 3.417826e-01 7.657914e-02 1.282592e-03 1.296627e-04 0.000485 0.000060 True native_MD 7 5 299 OD1_AB42_1 O_AB42_34 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 301 OD1_AB42_1 N_AB42_35 1 6.390044e-05 1.340320e-08 ; 2.437535e-01 7.616215e-02 5.833613e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 5 302 OD1_AB42_1 H_AB42_35 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 303 OD1_AB42_1 CA_AB42_35 1 2.895917e-04 2.357958e-07 ; 3.055800e-01 8.891525e-02 8.544474e-04 5.003552e-05 0.000485 0.001339 True native_MD 7 5 304 - OD1_AB42_1 CB_AB42_35 1 0.000000e+00 1.630628e-06 ; 2.934436e-01 -1.630628e-06 8.105772e-04 1.828813e-04 0.000485 0.000060 True native_MD 7 5 305 - OD1_AB42_1 CG_AB42_35 1 0.000000e+00 1.630737e-06 ; 2.934452e-01 -1.630737e-06 7.138250e-04 1.532392e-04 0.000485 0.000060 True native_MD 7 5 306 - OD1_AB42_1 CE_AB42_35 1 0.000000e+00 1.216130e-06 ; 2.863584e-01 -1.216130e-06 1.296455e-03 1.998164e-04 0.000485 0.000060 True native_MD 7 5 308 + OD1_AB42_1 CB_AB42_35 1 0.000000e+00 1.630622e-06 ; 2.934435e-01 -1.630622e-06 8.105772e-04 1.828813e-04 0.000485 0.000060 True native_MD 7 5 305 + OD1_AB42_1 CG_AB42_35 1 0.000000e+00 1.630732e-06 ; 2.934451e-01 -1.630732e-06 7.138250e-04 1.532392e-04 0.000485 0.000060 True native_MD 7 5 306 + OD1_AB42_1 CE_AB42_35 1 0.000000e+00 1.216130e-06 ; 2.863585e-01 -1.216130e-06 1.296455e-03 1.998164e-04 0.000485 0.000060 True native_MD 7 5 308 OD1_AB42_1 C_AB42_35 1 5.796620e-04 1.056658e-06 ; 3.495103e-01 7.949783e-02 6.445999e-04 4.974271e-05 0.000485 0.002166 True native_MD 7 5 309 OD1_AB42_1 O_AB42_35 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 310 OD1_AB42_1 N_AB42_36 1 1.265275e-04 4.709348e-08 ; 2.682024e-01 8.498635e-02 7.596660e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 5 311 @@ -1890,8 +1890,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD1_AB42_1 N_AB42_39 1 2.116942e-04 1.335060e-07 ; 2.928411e-01 8.391834e-02 7.357702e-04 1.482685e-04 0.000485 0.002166 True native_MD 7 5 329 OD1_AB42_1 H_AB42_39 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 330 OD1_AB42_1 CA_AB42_39 1 3.444353e-04 3.420802e-07 ; 3.158664e-01 8.670166e-02 7.996796e-04 2.122704e-04 0.000485 0.001339 True native_MD 7 5 331 - OD1_AB42_1 CB_AB42_39 1 0.000000e+00 3.357723e-06 ; 3.116488e-01 -3.357723e-06 1.850966e-03 5.166632e-04 0.000485 0.000060 True native_MD 7 5 332 - OD1_AB42_1 CG1_AB42_39 1 0.000000e+00 1.216805e-06 ; 2.863717e-01 -1.216805e-06 1.245275e-03 7.033976e-04 0.000485 0.000060 True native_MD 7 5 333 + OD1_AB42_1 CB_AB42_39 1 0.000000e+00 3.357750e-06 ; 3.116490e-01 -3.357750e-06 1.850966e-03 5.166632e-04 0.000485 0.000060 True native_MD 7 5 332 + OD1_AB42_1 CG1_AB42_39 1 0.000000e+00 1.216806e-06 ; 2.863717e-01 -1.216806e-06 1.245275e-03 7.033976e-04 0.000485 0.000060 True native_MD 7 5 333 OD1_AB42_1 CG2_AB42_39 1 0.000000e+00 1.216229e-06 ; 2.863604e-01 -1.216229e-06 1.211969e-03 1.964625e-04 0.000485 0.000060 True native_MD 7 5 334 OD1_AB42_1 O_AB42_39 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 336 OD1_AB42_1 N_AB42_40 1 6.782145e-05 1.624833e-08 ; 2.492147e-01 7.077266e-02 4.964691e-04 8.363339e-05 0.000485 0.002166 True native_MD 7 5 337 @@ -1903,7 +1903,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD1_AB42_1 O_AB42_40 1 5.854237e-04 1.082099e-06 ; 3.503210e-01 7.917963e-02 1.594634e-03 1.491385e-04 0.000485 0.000060 True native_MD 7 5 344 OD1_AB42_1 H_AB42_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 346 OD1_AB42_1 CA_AB42_41 1 4.102544e-04 4.595704e-07 ; 3.222675e-01 9.155761e-02 9.247562e-04 1.370020e-04 0.000485 0.001339 True native_MD 7 5 347 - OD1_AB42_1 CB_AB42_41 1 0.000000e+00 3.358354e-06 ; 3.116536e-01 -3.358354e-06 1.346895e-03 2.000982e-04 0.000485 0.000060 True native_MD 7 5 348 + OD1_AB42_1 CB_AB42_41 1 0.000000e+00 3.358381e-06 ; 3.116539e-01 -3.358381e-06 1.346895e-03 2.000982e-04 0.000485 0.000060 True native_MD 7 5 348 OD1_AB42_1 CG1_AB42_41 1 4.917496e-04 7.650460e-07 ; 3.404008e-01 7.902062e-02 1.167174e-03 1.096809e-04 0.000485 0.000060 True native_MD 7 5 349 OD1_AB42_1 CG2_AB42_41 1 2.883406e-04 2.748021e-07 ; 3.137033e-01 7.563654e-02 1.442353e-03 1.499853e-04 0.000485 0.000060 True native_MD 7 5 350 OD1_AB42_1 CD_AB42_41 1 0.000000e+00 1.215655e-06 ; 2.863491e-01 -1.215655e-06 1.737114e-03 2.499596e-04 0.000485 0.000060 True native_MD 7 5 351 @@ -1916,31 +1916,31 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD1_AB42_1 O1_AB42_42 1 6.621120e-04 7.783467e-07 ; 3.248680e-01 1.408088e-01 4.037651e-03 3.644247e-05 0.000485 0.000060 True native_MD 7 5 359 OD1_AB42_1 O2_AB42_42 1 6.621120e-04 7.783467e-07 ; 3.248680e-01 1.408088e-01 4.037651e-03 3.644247e-05 0.000485 0.000060 True native_MD 7 5 360 OD2_AB42_1 OD2_AB42_1 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 6 - OD2_AB42_1 C_AB42_1 1 0.000000e+00 4.773093e-07 ; 2.648876e-01 -4.773093e-07 6.650416e-01 3.780806e-01 0.000485 0.000060 True native_MD 4 6 7 + OD2_AB42_1 C_AB42_1 1 0.000000e+00 4.773072e-07 ; 2.648875e-01 -4.773072e-07 6.650416e-01 3.780806e-01 0.000485 0.000060 True native_MD 4 6 7 OD2_AB42_1 O_AB42_1 1 0.000000e+00 1.295652e-06 ; 2.878740e-01 -1.295652e-06 2.671410e-01 1.309091e-01 0.000485 0.000060 True native_MD 5 6 8 OD2_AB42_1 N_AB42_2 1 0.000000e+00 1.040172e-06 ; 2.826531e-01 -1.040172e-06 5.494701e-01 2.429182e-01 0.000485 0.000060 True native_MD 5 6 9 OD2_AB42_1 H_AB42_2 1 2.743237e-06 2.516411e-11 ; 1.446837e-01 7.476272e-02 2.476224e-01 2.643162e-02 0.000485 0.000060 True native_MD 6 6 10 - OD2_AB42_1 CA_AB42_2 1 0.000000e+00 2.481212e-06 ; 3.038904e-01 -2.481212e-06 3.369572e-01 7.492778e-02 0.000485 0.000060 True native_MD 6 6 11 + OD2_AB42_1 CA_AB42_2 1 0.000000e+00 2.481232e-06 ; 3.038906e-01 -2.481232e-06 3.369572e-01 7.492778e-02 0.000485 0.000060 True native_MD 6 6 11 OD2_AB42_1 CB_AB42_2 1 7.482435e-04 1.335960e-06 ; 3.483040e-01 1.047689e-01 1.641554e-01 7.138533e-03 0.000485 0.000060 True native_MD 7 6 12 OD2_AB42_1 C_AB42_2 1 1.185534e-03 2.452331e-06 ; 3.569528e-01 1.432812e-01 4.263636e-02 2.124181e-02 0.000485 0.002166 True native_MD 7 6 13 OD2_AB42_1 O_AB42_2 1 0.000000e+00 1.331305e-06 ; 2.885259e-01 -1.331305e-06 1.373367e-01 2.487313e-02 0.000485 0.000060 True native_MD 7 6 14 OD2_AB42_1 N_AB42_3 1 1.673060e-04 6.328076e-08 ; 2.689222e-01 1.105837e-01 3.900152e-02 5.169602e-02 0.000485 0.002166 True native_MD 7 6 15 OD2_AB42_1 H_AB42_3 1 8.415070e-06 1.284705e-10 ; 1.575038e-01 1.378009e-01 1.700948e-02 2.450410e-02 0.000485 0.005316 True native_MD 7 6 16 OD2_AB42_1 CA_AB42_3 1 5.500094e-04 8.591706e-07 ; 3.406316e-01 8.802394e-02 2.527329e-02 4.067181e-02 0.000485 0.001339 True native_MD 7 6 17 - OD2_AB42_1 CB_AB42_3 1 0.000000e+00 1.648876e-06 ; 2.937158e-01 -1.648876e-06 2.437270e-02 3.492867e-02 0.000485 0.000060 True native_MD 7 6 18 - OD2_AB42_1 CG_AB42_3 1 0.000000e+00 1.663410e-06 ; 2.939307e-01 -1.663410e-06 1.583623e-02 3.530015e-02 0.000485 0.000060 True native_MD 7 6 19 - OD2_AB42_1 CD_AB42_3 1 0.000000e+00 6.781572e-07 ; 2.727549e-01 -6.781572e-07 3.382151e-03 1.646228e-02 0.000485 0.002166 True native_MD 7 6 20 + OD2_AB42_1 CB_AB42_3 1 0.000000e+00 1.648870e-06 ; 2.937157e-01 -1.648870e-06 2.437270e-02 3.492867e-02 0.000485 0.000060 True native_MD 7 6 18 + OD2_AB42_1 CG_AB42_3 1 0.000000e+00 1.663405e-06 ; 2.939306e-01 -1.663405e-06 1.583623e-02 3.530015e-02 0.000485 0.000060 True native_MD 7 6 19 + OD2_AB42_1 CD_AB42_3 1 0.000000e+00 6.781542e-07 ; 2.727548e-01 -6.781542e-07 3.382151e-03 1.646228e-02 0.000485 0.002166 True native_MD 7 6 20 OD2_AB42_1 OE1_AB42_3 1 0.000000e+00 1.523086e-06 ; 2.917799e-01 -1.523086e-06 1.915102e-02 3.454180e-02 0.000485 0.000060 True native_MD 7 6 21 OD2_AB42_1 OE2_AB42_3 1 0.000000e+00 1.523086e-06 ; 2.917799e-01 -1.523086e-06 1.915102e-02 3.454180e-02 0.000485 0.000060 True native_MD 7 6 22 OD2_AB42_1 C_AB42_3 1 4.357434e-04 5.386208e-07 ; 3.275986e-01 8.812895e-02 5.412773e-03 1.404838e-02 0.000485 0.002166 True native_MD 7 6 23 OD2_AB42_1 O_AB42_3 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 24 OD2_AB42_1 N_AB42_4 1 7.480484e-05 1.913757e-08 ; 2.519568e-01 7.309921e-02 5.598531e-03 2.278365e-02 0.000485 0.002166 True native_MD 7 6 25 OD2_AB42_1 H_AB42_4 1 5.550231e-06 6.379430e-11 ; 1.502260e-01 1.207203e-01 3.512099e-03 8.435407e-03 0.000485 0.005316 True native_MD 7 6 26 - OD2_AB42_1 CA_AB42_4 1 0.000000e+00 3.417494e-06 ; 3.121073e-01 -3.417494e-06 5.339237e-03 2.178213e-02 0.000485 0.001339 True native_MD 7 6 27 - OD2_AB42_1 CB_AB42_4 1 0.000000e+00 1.677838e-06 ; 2.941423e-01 -1.677838e-06 3.616954e-03 3.192312e-02 0.000485 0.000060 True native_MD 7 6 28 - OD2_AB42_1 CG_AB42_4 1 0.000000e+00 6.805437e-07 ; 2.728347e-01 -6.805437e-07 1.021535e-03 1.766675e-02 0.000485 0.003309 True native_MD 7 6 29 - OD2_AB42_1 CD1_AB42_4 1 0.000000e+00 6.871849e-07 ; 2.730556e-01 -6.871849e-07 2.748664e-03 2.931502e-02 0.000485 0.003309 True native_MD 7 6 30 - OD2_AB42_1 CD2_AB42_4 1 0.000000e+00 6.871849e-07 ; 2.730556e-01 -6.871849e-07 2.748664e-03 2.931502e-02 0.000485 0.003309 True native_MD 7 6 31 + OD2_AB42_1 CA_AB42_4 1 0.000000e+00 3.417522e-06 ; 3.121075e-01 -3.417522e-06 5.339237e-03 2.178213e-02 0.000485 0.001339 True native_MD 7 6 27 + OD2_AB42_1 CB_AB42_4 1 0.000000e+00 1.677832e-06 ; 2.941422e-01 -1.677832e-06 3.616954e-03 3.192312e-02 0.000485 0.000060 True native_MD 7 6 28 + OD2_AB42_1 CG_AB42_4 1 0.000000e+00 6.805407e-07 ; 2.728346e-01 -6.805407e-07 1.021535e-03 1.766675e-02 0.000485 0.003309 True native_MD 7 6 29 + OD2_AB42_1 CD1_AB42_4 1 0.000000e+00 6.871819e-07 ; 2.730555e-01 -6.871819e-07 2.748664e-03 2.931502e-02 0.000485 0.003309 True native_MD 7 6 30 + OD2_AB42_1 CD2_AB42_4 1 0.000000e+00 6.871819e-07 ; 2.730555e-01 -6.871819e-07 2.748664e-03 2.931502e-02 0.000485 0.003309 True native_MD 7 6 31 OD2_AB42_1 CE1_AB42_4 1 2.905178e-04 2.740349e-07 ; 3.131643e-01 7.699802e-02 5.739582e-03 3.175680e-02 0.000485 0.003309 True native_MD 7 6 32 OD2_AB42_1 CE2_AB42_4 1 2.905178e-04 2.740349e-07 ; 3.131643e-01 7.699802e-02 5.739582e-03 3.175680e-02 0.000485 0.003309 True native_MD 7 6 33 OD2_AB42_1 CZ_AB42_4 1 4.333972e-04 4.720596e-07 ; 3.207636e-01 9.947534e-02 7.782856e-03 2.197684e-02 0.000485 0.003309 True native_MD 7 6 34 @@ -1948,10 +1948,10 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD2_AB42_1 O_AB42_4 1 0.000000e+00 1.520279e-06 ; 2.917350e-01 -1.520279e-06 2.632309e-03 1.615166e-02 0.000485 0.000060 True native_MD 7 6 36 OD2_AB42_1 N_AB42_5 1 1.127792e-04 3.777434e-08 ; 2.635287e-01 8.417851e-02 1.820871e-03 5.319054e-03 0.000485 0.002166 True native_MD 7 6 37 OD2_AB42_1 H_AB42_5 1 5.252723e-06 9.604780e-11 ; 1.623119e-01 7.181607e-02 5.122158e-04 7.527318e-04 0.000485 0.005316 True native_MD 7 6 38 - OD2_AB42_1 CA_AB42_5 1 0.000000e+00 3.376518e-06 ; 3.117938e-01 -3.376518e-06 2.053446e-03 6.309317e-03 0.000485 0.001339 True native_MD 7 6 39 - OD2_AB42_1 CB_AB42_5 1 0.000000e+00 1.631981e-06 ; 2.934638e-01 -1.631981e-06 5.469555e-03 5.671272e-03 0.000485 0.000060 True native_MD 7 6 40 - OD2_AB42_1 CG_AB42_5 1 0.000000e+00 1.619388e-06 ; 2.932745e-01 -1.619388e-06 1.553058e-02 8.014207e-03 0.000485 0.000060 True native_MD 7 6 41 - OD2_AB42_1 CD_AB42_5 1 0.000000e+00 1.609821e-06 ; 2.931297e-01 -1.609821e-06 2.243530e-02 9.055757e-03 0.000485 0.000060 True native_MD 7 6 42 + OD2_AB42_1 CA_AB42_5 1 0.000000e+00 3.376546e-06 ; 3.117940e-01 -3.376546e-06 2.053446e-03 6.309317e-03 0.000485 0.001339 True native_MD 7 6 39 + OD2_AB42_1 CB_AB42_5 1 0.000000e+00 1.631976e-06 ; 2.934638e-01 -1.631976e-06 5.469555e-03 5.671272e-03 0.000485 0.000060 True native_MD 7 6 40 + OD2_AB42_1 CG_AB42_5 1 0.000000e+00 1.619382e-06 ; 2.932744e-01 -1.619382e-06 1.553058e-02 8.014207e-03 0.000485 0.000060 True native_MD 7 6 41 + OD2_AB42_1 CD_AB42_5 1 0.000000e+00 1.609816e-06 ; 2.931296e-01 -1.609816e-06 2.243530e-02 9.055757e-03 0.000485 0.000060 True native_MD 7 6 42 OD2_AB42_1 NE_AB42_5 1 1.586086e-04 3.672341e-08 ; 2.478008e-01 1.712579e-01 2.431378e-02 5.244048e-03 0.000485 0.002166 True native_MD 7 6 43 OD2_AB42_1 CZ_AB42_5 1 5.747970e-04 4.605707e-07 ; 3.047640e-01 1.793382e-01 4.692641e-02 7.947088e-03 0.000485 0.002166 True native_MD 7 6 44 OD2_AB42_1 NH1_AB42_5 1 1.352514e-04 2.729951e-08 ; 2.421971e-01 1.675207e-01 2.966577e-02 7.155495e-03 0.000485 0.002166 True native_MD 7 6 45 @@ -1959,10 +1959,10 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD2_AB42_1 O_AB42_5 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 48 OD2_AB42_1 N_AB42_6 1 7.473446e-05 1.896110e-08 ; 2.516076e-01 7.364075e-02 6.444419e-04 2.580446e-03 0.000485 0.002166 True native_MD 7 6 49 OD2_AB42_1 H_AB42_6 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 50 - OD2_AB42_1 CA_AB42_6 1 0.000000e+00 3.372984e-06 ; 3.117666e-01 -3.372984e-06 1.059738e-03 4.264412e-03 0.000485 0.001339 True native_MD 7 6 51 - OD2_AB42_1 CB_AB42_6 1 0.000000e+00 1.640718e-06 ; 2.935944e-01 -1.640718e-06 9.042079e-04 6.460699e-03 0.000485 0.000060 True native_MD 7 6 52 - OD2_AB42_1 CG_AB42_6 1 0.000000e+00 6.723996e-07 ; 2.725612e-01 -6.723996e-07 5.085300e-04 4.987462e-03 0.000485 0.002166 True native_MD 7 6 53 - OD2_AB42_1 ND1_AB42_6 1 0.000000e+00 5.121496e-07 ; 2.664473e-01 -5.121496e-07 1.291265e-03 6.172896e-03 0.000485 0.002166 True native_MD 7 6 54 + OD2_AB42_1 CA_AB42_6 1 0.000000e+00 3.373012e-06 ; 3.117668e-01 -3.373012e-06 1.059738e-03 4.264412e-03 0.000485 0.001339 True native_MD 7 6 51 + OD2_AB42_1 CB_AB42_6 1 0.000000e+00 1.640713e-06 ; 2.935944e-01 -1.640713e-06 9.042079e-04 6.460699e-03 0.000485 0.000060 True native_MD 7 6 52 + OD2_AB42_1 CG_AB42_6 1 0.000000e+00 6.723966e-07 ; 2.725611e-01 -6.723966e-07 5.085300e-04 4.987462e-03 0.000485 0.002166 True native_MD 7 6 53 + OD2_AB42_1 ND1_AB42_6 1 0.000000e+00 5.121470e-07 ; 2.664472e-01 -5.121470e-07 1.291265e-03 6.172896e-03 0.000485 0.002166 True native_MD 7 6 54 OD2_AB42_1 CD2_AB42_6 1 3.287210e-04 2.917097e-07 ; 3.099944e-01 9.260703e-02 2.050691e-03 7.111997e-03 0.000485 0.003309 True native_MD 7 6 55 OD2_AB42_1 CE1_AB42_6 1 1.801657e-04 9.391484e-08 ; 2.836898e-01 8.640724e-02 2.397501e-03 1.000983e-02 0.000485 0.003309 True native_MD 7 6 56 OD2_AB42_1 NE2_AB42_6 1 7.820508e-05 1.985261e-08 ; 2.516308e-01 7.701803e-02 2.545081e-03 9.211309e-03 0.000485 0.002166 True native_MD 7 6 57 @@ -1970,8 +1970,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD2_AB42_1 N_AB42_7 1 1.475326e-04 7.347179e-08 ; 2.815391e-01 7.406197e-02 5.478255e-04 1.855571e-03 0.000485 0.002166 True native_MD 7 6 60 OD2_AB42_1 H_AB42_7 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 61 OD2_AB42_1 CA_AB42_7 1 3.746729e-04 4.920753e-07 ; 3.309252e-01 7.132030e-02 1.137607e-03 3.017975e-03 0.000485 0.001339 True native_MD 7 6 62 - OD2_AB42_1 CB_AB42_7 1 0.000000e+00 1.635475e-06 ; 2.935161e-01 -1.635475e-06 7.396783e-04 3.082639e-03 0.000485 0.000060 True native_MD 7 6 63 - OD2_AB42_1 CG_AB42_7 1 0.000000e+00 6.709771e-07 ; 2.725131e-01 -6.709771e-07 5.235511e-04 2.877553e-03 0.000485 0.002166 True native_MD 7 6 64 + OD2_AB42_1 CB_AB42_7 1 0.000000e+00 1.635469e-06 ; 2.935161e-01 -1.635469e-06 7.396783e-04 3.082639e-03 0.000485 0.000060 True native_MD 7 6 63 + OD2_AB42_1 CG_AB42_7 1 0.000000e+00 6.709742e-07 ; 2.725130e-01 -6.709742e-07 5.235511e-04 2.877553e-03 0.000485 0.002166 True native_MD 7 6 64 OD2_AB42_1 OD1_AB42_7 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 65 OD2_AB42_1 OD2_AB42_7 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 66 OD2_AB42_1 C_AB42_7 1 3.503897e-04 4.322257e-07 ; 3.274864e-01 7.101207e-02 5.000388e-04 1.009191e-03 0.000485 0.002166 True native_MD 7 6 67 @@ -1979,7 +1979,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD2_AB42_1 N_AB42_8 1 7.314565e-05 1.597336e-08 ; 2.453963e-01 8.373765e-02 7.318024e-04 2.034880e-03 0.000485 0.002166 True native_MD 7 6 69 OD2_AB42_1 H_AB42_8 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 70 OD2_AB42_1 CA_AB42_8 1 3.367750e-04 3.842448e-07 ; 3.232546e-01 7.379242e-02 1.599955e-03 3.941866e-03 0.000485 0.001339 True native_MD 7 6 71 - OD2_AB42_1 CB_AB42_8 1 0.000000e+00 1.636146e-06 ; 2.935262e-01 -1.636146e-06 1.808353e-03 4.562714e-03 0.000485 0.000060 True native_MD 7 6 72 + OD2_AB42_1 CB_AB42_8 1 0.000000e+00 1.636141e-06 ; 2.935261e-01 -1.636141e-06 1.808353e-03 4.562714e-03 0.000485 0.000060 True native_MD 7 6 72 OD2_AB42_1 OG_AB42_8 1 6.064175e-05 1.107664e-08 ; 2.381987e-01 8.299949e-02 1.270655e-03 3.845121e-03 0.000485 0.002166 True native_MD 7 6 73 OD2_AB42_1 C_AB42_8 1 4.130743e-04 5.961003e-07 ; 3.361619e-01 7.156112e-02 5.083227e-04 1.431995e-03 0.000485 0.002166 True native_MD 7 6 74 OD2_AB42_1 O_AB42_8 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 75 @@ -1990,7 +1990,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD2_AB42_1 N_AB42_10 1 1.945034e-04 1.264746e-07 ; 2.943378e-01 7.478098e-02 5.597408e-04 9.157089e-04 0.000485 0.002166 True native_MD 7 6 81 OD2_AB42_1 H_AB42_10 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 82 OD2_AB42_1 CA_AB42_10 1 7.175593e-04 1.605173e-06 ; 3.616407e-01 8.019249e-02 6.581405e-04 1.096189e-03 0.000485 0.001339 True native_MD 7 6 83 - OD2_AB42_1 CB_AB42_10 1 0.000000e+00 1.633382e-06 ; 2.934848e-01 -1.633382e-06 5.420476e-04 1.602151e-03 0.000485 0.000060 True native_MD 7 6 84 + OD2_AB42_1 CB_AB42_10 1 0.000000e+00 1.633376e-06 ; 2.934847e-01 -1.633376e-06 5.420476e-04 1.602151e-03 0.000485 0.000060 True native_MD 7 6 84 OD2_AB42_1 CD1_AB42_10 1 3.150212e-04 3.435812e-07 ; 3.208349e-01 7.220880e-02 5.182713e-04 1.545335e-03 0.000485 0.003309 True native_MD 7 6 86 OD2_AB42_1 CD2_AB42_10 1 3.150212e-04 3.435812e-07 ; 3.208349e-01 7.220880e-02 5.182713e-04 1.545335e-03 0.000485 0.003309 True native_MD 7 6 87 OD2_AB42_1 CE1_AB42_10 1 3.182118e-04 2.192310e-07 ; 2.971878e-01 1.154704e-01 1.891532e-03 2.334103e-03 0.000485 0.003309 True native_MD 7 6 88 @@ -1999,20 +1999,20 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD2_AB42_1 OH_AB42_10 1 8.415300e-05 1.528098e-08 ; 2.379653e-01 1.158585e-01 2.568467e-03 2.907358e-03 0.000485 0.002166 True native_MD 7 6 91 OD2_AB42_1 O_AB42_10 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 93 OD2_AB42_1 H_AB42_11 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 95 - OD2_AB42_1 CB_AB42_11 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 97 - OD2_AB42_1 CG_AB42_11 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 98 + OD2_AB42_1 CB_AB42_11 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 97 + OD2_AB42_1 CG_AB42_11 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 98 OD2_AB42_1 CD_AB42_11 1 6.472377e-04 1.315514e-06 ; 3.559087e-01 7.961085e-02 6.467839e-04 8.314154e-04 0.000485 0.002166 True native_MD 7 6 99 OD2_AB42_1 OE1_AB42_11 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 100 OD2_AB42_1 OE2_AB42_11 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 101 OD2_AB42_1 O_AB42_11 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 103 OD2_AB42_1 H_AB42_12 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 105 - OD2_AB42_1 CB_AB42_12 1 0.000000e+00 3.363098e-06 ; 3.116903e-01 -3.363098e-06 1.031882e-03 1.296215e-03 0.000485 0.000060 True native_MD 7 6 107 - OD2_AB42_1 CG1_AB42_12 1 0.000000e+00 1.218260e-06 ; 2.864002e-01 -1.218260e-06 5.079668e-04 1.161077e-03 0.000485 0.000060 True native_MD 7 6 108 + OD2_AB42_1 CB_AB42_12 1 0.000000e+00 3.363125e-06 ; 3.116905e-01 -3.363125e-06 1.031882e-03 1.296215e-03 0.000485 0.000060 True native_MD 7 6 107 + OD2_AB42_1 CG1_AB42_12 1 0.000000e+00 1.218261e-06 ; 2.864002e-01 -1.218261e-06 5.079668e-04 1.161077e-03 0.000485 0.000060 True native_MD 7 6 108 OD2_AB42_1 CG2_AB42_12 1 0.000000e+00 1.217713e-06 ; 2.863895e-01 -1.217713e-06 8.890580e-04 1.092528e-03 0.000485 0.000060 True native_MD 7 6 109 OD2_AB42_1 O_AB42_12 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 111 OD2_AB42_1 H_AB42_13 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 113 OD2_AB42_1 CA_AB42_13 1 2.455882e-04 1.849527e-07 ; 3.016307e-01 8.152567e-02 6.849288e-04 5.184370e-04 0.000485 0.001339 True native_MD 7 6 114 - OD2_AB42_1 CB_AB42_13 1 0.000000e+00 1.631488e-06 ; 2.934565e-01 -1.631488e-06 1.170454e-03 1.070169e-03 0.000485 0.000060 True native_MD 7 6 115 + OD2_AB42_1 CB_AB42_13 1 0.000000e+00 1.631483e-06 ; 2.934564e-01 -1.631483e-06 1.170454e-03 1.070169e-03 0.000485 0.000060 True native_MD 7 6 115 OD2_AB42_1 CG_AB42_13 1 7.600052e-04 2.019084e-06 ; 3.721542e-01 7.151857e-02 5.076758e-04 4.952062e-04 0.000485 0.002166 True native_MD 7 6 116 OD2_AB42_1 ND1_AB42_13 1 6.091062e-04 1.022269e-06 ; 3.447297e-01 9.073208e-02 9.021901e-04 1.241982e-03 0.000485 0.002166 True native_MD 7 6 117 OD2_AB42_1 CD2_AB42_13 1 3.939163e-04 3.351822e-07 ; 3.078313e-01 1.157356e-01 1.906603e-03 1.235307e-03 0.000485 0.003309 True native_MD 7 6 118 @@ -2022,7 +2022,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD2_AB42_1 N_AB42_14 1 8.373966e-05 2.312614e-08 ; 2.551890e-01 7.580524e-02 5.771636e-04 3.046603e-04 0.000485 0.002166 True native_MD 7 6 123 OD2_AB42_1 H_AB42_14 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 124 OD2_AB42_1 CA_AB42_14 1 3.366385e-04 2.485852e-07 ; 3.006436e-01 1.139704e-01 1.808503e-03 5.710782e-04 0.000485 0.001339 True native_MD 7 6 125 - OD2_AB42_1 CB_AB42_14 1 0.000000e+00 1.630103e-06 ; 2.934357e-01 -1.630103e-06 1.942015e-03 9.925118e-04 0.000485 0.000060 True native_MD 7 6 126 + OD2_AB42_1 CB_AB42_14 1 0.000000e+00 1.630097e-06 ; 2.934356e-01 -1.630097e-06 1.942015e-03 9.925118e-04 0.000485 0.000060 True native_MD 7 6 126 OD2_AB42_1 CG_AB42_14 1 2.912936e-04 2.595053e-07 ; 3.101958e-01 8.174394e-02 6.894173e-04 6.814839e-04 0.000485 0.002166 True native_MD 7 6 127 OD2_AB42_1 ND1_AB42_14 1 5.260050e-04 5.820010e-07 ; 3.216046e-01 1.188492e-01 2.092793e-03 8.744070e-04 0.000485 0.002166 True native_MD 7 6 128 OD2_AB42_1 CD2_AB42_14 1 3.544861e-04 2.548103e-07 ; 2.992974e-01 1.232881e-01 2.390112e-03 1.028983e-03 0.000485 0.003309 True native_MD 7 6 129 @@ -2033,8 +2033,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD2_AB42_1 N_AB42_15 1 9.684337e-05 2.365022e-08 ; 2.500120e-01 9.913901e-02 1.160273e-03 2.090345e-04 0.000485 0.002166 True native_MD 7 6 134 OD2_AB42_1 H_AB42_15 1 3.709219e-06 3.917372e-11 ; 1.481217e-01 8.780317e-02 8.264793e-04 2.378243e-05 0.000485 0.005316 True native_MD 7 6 135 OD2_AB42_1 CA_AB42_15 1 6.110183e-04 8.584140e-07 ; 3.346625e-01 1.087306e-01 1.546031e-03 4.848334e-04 0.000485 0.001339 True native_MD 7 6 136 - OD2_AB42_1 CB_AB42_15 1 0.000000e+00 1.630172e-06 ; 2.934367e-01 -1.630172e-06 1.410212e-03 5.030051e-04 0.000485 0.000060 True native_MD 7 6 137 - OD2_AB42_1 CG_AB42_15 1 0.000000e+00 1.630216e-06 ; 2.934374e-01 -1.630216e-06 1.625439e-03 7.453612e-04 0.000485 0.000060 True native_MD 7 6 138 + OD2_AB42_1 CB_AB42_15 1 0.000000e+00 1.630166e-06 ; 2.934366e-01 -1.630166e-06 1.410212e-03 5.030051e-04 0.000485 0.000060 True native_MD 7 6 137 + OD2_AB42_1 CG_AB42_15 1 0.000000e+00 1.630210e-06 ; 2.934373e-01 -1.630210e-06 1.625439e-03 7.453612e-04 0.000485 0.000060 True native_MD 7 6 138 OD2_AB42_1 CD_AB42_15 1 4.985532e-04 6.931836e-07 ; 3.340843e-01 8.964267e-02 8.732516e-04 6.606548e-04 0.000485 0.002166 True native_MD 7 6 139 OD2_AB42_1 OE1_AB42_15 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 140 OD2_AB42_1 NE2_AB42_15 1 1.414285e-04 4.508362e-08 ; 2.613647e-01 1.109162e-01 1.650532e-03 8.992092e-04 0.000485 0.002166 True native_MD 7 6 141 @@ -2052,8 +2052,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD2_AB42_1 N_AB42_17 1 1.325859e-04 4.021734e-08 ; 2.592105e-01 1.092751e-01 1.571434e-03 1.691060e-04 0.000485 0.002166 True native_MD 7 6 154 OD2_AB42_1 H_AB42_17 1 6.058051e-06 9.227958e-11 ; 1.574450e-01 9.942606e-02 1.170283e-03 3.246275e-05 0.000485 0.005316 True native_MD 7 6 155 OD2_AB42_1 CA_AB42_17 1 7.104026e-04 1.091733e-06 ; 3.397050e-01 1.155667e-01 1.896991e-03 1.796763e-04 0.000485 0.001339 True native_MD 7 6 156 - OD2_AB42_1 CB_AB42_17 1 0.000000e+00 1.629268e-06 ; 2.934232e-01 -1.629268e-06 1.774835e-03 3.138118e-04 0.000485 0.000060 True native_MD 7 6 157 - OD2_AB42_1 CG_AB42_17 1 0.000000e+00 3.357973e-06 ; 3.116507e-01 -3.357973e-06 2.060911e-03 8.008615e-04 0.000485 0.000060 True native_MD 7 6 158 + OD2_AB42_1 CB_AB42_17 1 0.000000e+00 1.629263e-06 ; 2.934231e-01 -1.629263e-06 1.774835e-03 3.138118e-04 0.000485 0.000060 True native_MD 7 6 157 + OD2_AB42_1 CG_AB42_17 1 0.000000e+00 3.358000e-06 ; 3.116509e-01 -3.358000e-06 2.060911e-03 8.008615e-04 0.000485 0.000060 True native_MD 7 6 158 OD2_AB42_1 CD1_AB42_17 1 0.000000e+00 1.216594e-06 ; 2.863676e-01 -1.216594e-06 1.482697e-03 7.672843e-04 0.000485 0.000060 True native_MD 7 6 159 OD2_AB42_1 CD2_AB42_17 1 0.000000e+00 1.216129e-06 ; 2.863584e-01 -1.216129e-06 1.839220e-03 7.413812e-04 0.000485 0.000060 True native_MD 7 6 160 OD2_AB42_1 C_AB42_17 1 5.488030e-04 8.640076e-07 ; 3.410752e-01 8.714760e-02 8.104230e-04 5.002262e-05 0.000485 0.002166 True native_MD 7 6 161 @@ -2061,14 +2061,14 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD2_AB42_1 N_AB42_18 1 9.232646e-05 2.821979e-08 ; 2.595402e-01 7.551593e-02 5.721882e-04 1.761901e-06 0.000485 0.002166 True native_MD 7 6 163 OD2_AB42_1 H_AB42_18 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 164 OD2_AB42_1 CA_AB42_18 1 3.012720e-04 3.056387e-07 ; 3.169871e-01 7.424192e-02 5.507835e-04 3.615165e-04 0.000485 0.001339 True native_MD 7 6 165 - OD2_AB42_1 CB_AB42_18 1 0.000000e+00 3.359976e-06 ; 3.116662e-01 -3.359976e-06 1.366813e-03 7.025145e-04 0.000485 0.000060 True native_MD 7 6 166 + OD2_AB42_1 CB_AB42_18 1 0.000000e+00 3.360003e-06 ; 3.116664e-01 -3.360003e-06 1.366813e-03 7.025145e-04 0.000485 0.000060 True native_MD 7 6 166 OD2_AB42_1 CG1_AB42_18 1 0.000000e+00 1.217337e-06 ; 2.863821e-01 -1.217337e-06 1.059289e-03 9.541997e-04 0.000485 0.000060 True native_MD 7 6 167 - OD2_AB42_1 CG2_AB42_18 1 0.000000e+00 1.216911e-06 ; 2.863738e-01 -1.216911e-06 1.104546e-03 6.496213e-04 0.000485 0.000060 True native_MD 7 6 168 + OD2_AB42_1 CG2_AB42_18 1 0.000000e+00 1.216912e-06 ; 2.863738e-01 -1.216912e-06 1.104546e-03 6.496213e-04 0.000485 0.000060 True native_MD 7 6 168 OD2_AB42_1 O_AB42_18 1 8.196078e-04 2.065349e-06 ; 3.688909e-01 8.131275e-02 9.421363e-04 8.266451e-05 0.000485 0.000060 True native_MD 7 6 170 OD2_AB42_1 N_AB42_19 1 9.934130e-05 2.903850e-08 ; 2.576167e-01 8.496215e-02 7.591162e-04 1.329336e-04 0.000485 0.002166 True native_MD 7 6 171 OD2_AB42_1 H_AB42_19 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 172 OD2_AB42_1 CA_AB42_19 1 4.446153e-04 4.418667e-07 ; 3.159011e-01 1.118453e-01 1.697067e-03 4.866419e-04 0.000485 0.001339 True native_MD 7 6 173 - OD2_AB42_1 CB_AB42_19 1 0.000000e+00 1.629936e-06 ; 2.934332e-01 -1.629936e-06 1.984713e-03 9.330309e-04 0.000485 0.000060 True native_MD 7 6 174 + OD2_AB42_1 CB_AB42_19 1 0.000000e+00 1.629930e-06 ; 2.934331e-01 -1.629930e-06 1.984713e-03 9.330309e-04 0.000485 0.000060 True native_MD 7 6 174 OD2_AB42_1 CG_AB42_19 1 8.841301e-04 2.288205e-06 ; 3.705355e-01 8.540386e-02 7.692172e-04 6.700209e-04 0.000485 0.003309 True native_MD 7 6 175 OD2_AB42_1 CD1_AB42_19 1 3.107238e-04 2.440255e-07 ; 3.037457e-01 9.891312e-02 1.152456e-03 6.411503e-04 0.000485 0.003309 True native_MD 7 6 176 OD2_AB42_1 CD2_AB42_19 1 3.107238e-04 2.440255e-07 ; 3.037457e-01 9.891312e-02 1.152456e-03 6.411503e-04 0.000485 0.003309 True native_MD 7 6 177 @@ -2080,7 +2080,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD2_AB42_1 N_AB42_20 1 1.087102e-04 2.797789e-08 ; 2.522072e-01 1.056004e-01 1.407784e-03 2.850009e-04 0.000485 0.002166 True native_MD 7 6 183 OD2_AB42_1 H_AB42_20 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 184 OD2_AB42_1 CA_AB42_20 1 4.858040e-04 4.783330e-07 ; 3.154120e-01 1.233479e-01 2.394392e-03 4.300221e-04 0.000485 0.001339 True native_MD 7 6 185 - OD2_AB42_1 CB_AB42_20 1 0.000000e+00 1.629044e-06 ; 2.934198e-01 -1.629044e-06 2.240195e-03 6.417527e-04 0.000485 0.000060 True native_MD 7 6 186 + OD2_AB42_1 CB_AB42_20 1 0.000000e+00 1.629038e-06 ; 2.934197e-01 -1.629038e-06 2.240195e-03 6.417527e-04 0.000485 0.000060 True native_MD 7 6 186 OD2_AB42_1 CG_AB42_20 1 7.686838e-04 1.628003e-06 ; 3.583587e-01 9.073613e-02 9.022996e-04 4.576484e-04 0.000485 0.003309 True native_MD 7 6 187 OD2_AB42_1 CD1_AB42_20 1 3.812547e-04 3.457225e-07 ; 3.111134e-01 1.051097e-01 1.387264e-03 4.632265e-04 0.000485 0.003309 True native_MD 7 6 188 OD2_AB42_1 CD2_AB42_20 1 3.812547e-04 3.457225e-07 ; 3.111134e-01 1.051097e-01 1.387264e-03 4.632265e-04 0.000485 0.003309 True native_MD 7 6 189 @@ -2099,7 +2099,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD2_AB42_1 H_AB42_22 1 3.179468e-06 3.093168e-11 ; 1.461083e-01 8.170441e-02 6.886024e-04 0.000000e+00 0.000485 0.005316 True native_MD 7 6 202 OD2_AB42_1 CA_AB42_22 1 4.874904e-04 6.036870e-07 ; 3.276984e-01 9.841476e-02 1.135396e-03 1.859696e-04 0.000485 0.001339 True native_MD 7 6 203 OD2_AB42_1 CB_AB42_22 1 4.342861e-04 5.322459e-07 ; 3.271318e-01 8.858896e-02 1.446738e-03 1.021007e-04 0.000485 0.000060 True native_MD 7 6 204 - OD2_AB42_1 CG_AB42_22 1 0.000000e+00 1.629789e-06 ; 2.934310e-01 -1.629789e-06 1.361557e-03 2.195489e-04 0.000485 0.000060 True native_MD 7 6 205 + OD2_AB42_1 CG_AB42_22 1 0.000000e+00 1.629783e-06 ; 2.934309e-01 -1.629783e-06 1.361557e-03 2.195489e-04 0.000485 0.000060 True native_MD 7 6 205 OD2_AB42_1 CD_AB42_22 1 7.120323e-04 1.455663e-06 ; 3.562544e-01 8.707201e-02 8.085919e-04 1.180433e-04 0.000485 0.002166 True native_MD 7 6 206 OD2_AB42_1 OE1_AB42_22 1 4.481804e-04 6.867306e-07 ; 3.395384e-01 7.312388e-02 3.652258e-03 4.094443e-04 0.000485 0.000060 True native_MD 7 6 207 OD2_AB42_1 OE2_AB42_22 1 4.481804e-04 6.867306e-07 ; 3.395384e-01 7.312388e-02 3.652258e-03 4.094443e-04 0.000485 0.000060 True native_MD 7 6 208 @@ -2108,7 +2108,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD2_AB42_1 N_AB42_23 1 1.404029e-04 6.307739e-08 ; 2.767470e-01 7.813017e-02 6.187500e-04 5.121984e-05 0.000485 0.002166 True native_MD 7 6 211 OD2_AB42_1 H_AB42_23 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 212 OD2_AB42_1 CA_AB42_23 1 5.833114e-04 9.531561e-07 ; 3.431973e-01 8.924357e-02 8.628839e-04 1.152308e-04 0.000485 0.001339 True native_MD 7 6 213 - OD2_AB42_1 CB_AB42_23 1 0.000000e+00 1.630568e-06 ; 2.934427e-01 -1.630568e-06 1.022984e-03 3.587737e-04 0.000485 0.000060 True native_MD 7 6 214 + OD2_AB42_1 CB_AB42_23 1 0.000000e+00 1.630563e-06 ; 2.934426e-01 -1.630563e-06 1.022984e-03 3.587737e-04 0.000485 0.000060 True native_MD 7 6 214 OD2_AB42_1 CG_AB42_23 1 5.298976e-04 9.086173e-07 ; 3.459645e-01 7.725789e-02 6.028074e-04 1.913449e-04 0.000485 0.002166 True native_MD 7 6 215 OD2_AB42_1 OD1_AB42_23 1 4.293955e-04 6.267813e-07 ; 3.368034e-01 7.354259e-02 3.136356e-03 3.472297e-04 0.000485 0.000060 True native_MD 7 6 216 OD2_AB42_1 OD2_AB42_23 1 4.293955e-04 6.267813e-07 ; 3.368034e-01 7.354259e-02 3.136356e-03 3.472297e-04 0.000485 0.000060 True native_MD 7 6 217 @@ -2166,8 +2166,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD2_AB42_1 N_AB42_31 1 1.129731e-04 3.804545e-08 ; 2.637675e-01 8.386630e-02 7.346253e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 6 270 OD2_AB42_1 H_AB42_31 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 271 OD2_AB42_1 CA_AB42_31 1 5.990106e-04 9.759619e-07 ; 3.430308e-01 9.191285e-02 9.346395e-04 1.471312e-04 0.000485 0.001339 True native_MD 7 6 272 - OD2_AB42_1 CB_AB42_31 1 0.000000e+00 3.357805e-06 ; 3.116494e-01 -3.357805e-06 1.562207e-03 2.523856e-04 0.000485 0.000060 True native_MD 7 6 273 - OD2_AB42_1 CG1_AB42_31 1 0.000000e+00 1.630160e-06 ; 2.934365e-01 -1.630160e-06 1.167369e-03 2.528229e-04 0.000485 0.000060 True native_MD 7 6 274 + OD2_AB42_1 CB_AB42_31 1 0.000000e+00 3.357833e-06 ; 3.116496e-01 -3.357833e-06 1.562207e-03 2.523856e-04 0.000485 0.000060 True native_MD 7 6 273 + OD2_AB42_1 CG1_AB42_31 1 0.000000e+00 1.630154e-06 ; 2.934364e-01 -1.630154e-06 1.167369e-03 2.528229e-04 0.000485 0.000060 True native_MD 7 6 274 OD2_AB42_1 CG2_AB42_31 1 0.000000e+00 1.216150e-06 ; 2.863588e-01 -1.216150e-06 1.428785e-03 3.485892e-04 0.000485 0.000060 True native_MD 7 6 275 OD2_AB42_1 CD_AB42_31 1 3.785661e-04 5.038021e-07 ; 3.316549e-01 7.111537e-02 2.270205e-03 2.702728e-04 0.000485 0.000060 True native_MD 7 6 276 OD2_AB42_1 O_AB42_31 1 6.227350e-04 8.712757e-07 ; 3.344327e-01 1.112733e-01 1.668267e-03 5.784278e-05 0.000485 0.000060 True native_MD 7 6 278 @@ -2175,8 +2175,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD2_AB42_1 H_AB42_32 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 280 OD2_AB42_1 CA_AB42_32 1 5.021473e-04 6.510168e-07 ; 3.302125e-01 9.683003e-02 1.082807e-03 1.335957e-04 0.000485 0.001339 True native_MD 7 6 281 OD2_AB42_1 CB_AB42_32 1 5.841105e-04 1.202985e-06 ; 3.566927e-01 7.090384e-02 1.181957e-03 1.416081e-04 0.000485 0.000060 True native_MD 7 6 282 - OD2_AB42_1 CG1_AB42_32 1 0.000000e+00 1.630633e-06 ; 2.934436e-01 -1.630633e-06 8.472924e-04 2.226336e-04 0.000485 0.000060 True native_MD 7 6 283 - OD2_AB42_1 CG2_AB42_32 1 0.000000e+00 1.216482e-06 ; 2.863653e-01 -1.216482e-06 9.574570e-04 1.496300e-04 0.000485 0.000060 True native_MD 7 6 284 + OD2_AB42_1 CG1_AB42_32 1 0.000000e+00 1.630627e-06 ; 2.934435e-01 -1.630627e-06 8.472924e-04 2.226336e-04 0.000485 0.000060 True native_MD 7 6 283 + OD2_AB42_1 CG2_AB42_32 1 0.000000e+00 1.216482e-06 ; 2.863654e-01 -1.216482e-06 9.574570e-04 1.496300e-04 0.000485 0.000060 True native_MD 7 6 284 OD2_AB42_1 CD_AB42_32 1 0.000000e+00 1.216515e-06 ; 2.863660e-01 -1.216515e-06 1.012550e-03 2.320995e-04 0.000485 0.000060 True native_MD 7 6 285 OD2_AB42_1 C_AB42_32 1 4.276004e-04 5.385423e-07 ; 3.286222e-01 8.487823e-02 7.572121e-04 1.675781e-05 0.000485 0.002166 True native_MD 7 6 286 OD2_AB42_1 O_AB42_32 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 287 @@ -2188,17 +2188,17 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD2_AB42_1 N_AB42_34 1 1.114935e-04 3.160787e-08 ; 2.563053e-01 9.832042e-02 1.132195e-03 6.927886e-05 0.000485 0.002166 True native_MD 7 6 293 OD2_AB42_1 H_AB42_34 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 294 OD2_AB42_1 CA_AB42_34 1 5.314421e-04 7.498916e-07 ; 3.349066e-01 9.415716e-02 9.995687e-04 5.073046e-05 0.000485 0.001339 True native_MD 7 6 295 - OD2_AB42_1 CB_AB42_34 1 0.000000e+00 1.630651e-06 ; 2.934439e-01 -1.630651e-06 7.443128e-04 1.308822e-04 0.000485 0.000060 True native_MD 7 6 296 - OD2_AB42_1 CG_AB42_34 1 0.000000e+00 3.358174e-06 ; 3.116522e-01 -3.358174e-06 1.461769e-03 2.615032e-04 0.000485 0.000060 True native_MD 7 6 297 + OD2_AB42_1 CB_AB42_34 1 0.000000e+00 1.630646e-06 ; 2.934438e-01 -1.630646e-06 7.443128e-04 1.308822e-04 0.000485 0.000060 True native_MD 7 6 296 + OD2_AB42_1 CG_AB42_34 1 0.000000e+00 3.358201e-06 ; 3.116525e-01 -3.358201e-06 1.461769e-03 2.615032e-04 0.000485 0.000060 True native_MD 7 6 297 OD2_AB42_1 CD1_AB42_34 1 5.409368e-04 9.948455e-07 ; 3.500270e-01 7.353218e-02 1.917522e-03 2.123573e-04 0.000485 0.000060 True native_MD 7 6 298 OD2_AB42_1 CD2_AB42_34 1 4.882814e-04 7.783410e-07 ; 3.417826e-01 7.657914e-02 1.282592e-03 1.296627e-04 0.000485 0.000060 True native_MD 7 6 299 OD2_AB42_1 O_AB42_34 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 301 OD2_AB42_1 N_AB42_35 1 6.390044e-05 1.340320e-08 ; 2.437535e-01 7.616215e-02 5.833613e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 6 302 OD2_AB42_1 H_AB42_35 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 303 OD2_AB42_1 CA_AB42_35 1 2.895917e-04 2.357958e-07 ; 3.055800e-01 8.891525e-02 8.544474e-04 5.003552e-05 0.000485 0.001339 True native_MD 7 6 304 - OD2_AB42_1 CB_AB42_35 1 0.000000e+00 1.630628e-06 ; 2.934436e-01 -1.630628e-06 8.105772e-04 1.828813e-04 0.000485 0.000060 True native_MD 7 6 305 - OD2_AB42_1 CG_AB42_35 1 0.000000e+00 1.630737e-06 ; 2.934452e-01 -1.630737e-06 7.138250e-04 1.532392e-04 0.000485 0.000060 True native_MD 7 6 306 - OD2_AB42_1 CE_AB42_35 1 0.000000e+00 1.216130e-06 ; 2.863584e-01 -1.216130e-06 1.296455e-03 1.998164e-04 0.000485 0.000060 True native_MD 7 6 308 + OD2_AB42_1 CB_AB42_35 1 0.000000e+00 1.630622e-06 ; 2.934435e-01 -1.630622e-06 8.105772e-04 1.828813e-04 0.000485 0.000060 True native_MD 7 6 305 + OD2_AB42_1 CG_AB42_35 1 0.000000e+00 1.630732e-06 ; 2.934451e-01 -1.630732e-06 7.138250e-04 1.532392e-04 0.000485 0.000060 True native_MD 7 6 306 + OD2_AB42_1 CE_AB42_35 1 0.000000e+00 1.216130e-06 ; 2.863585e-01 -1.216130e-06 1.296455e-03 1.998164e-04 0.000485 0.000060 True native_MD 7 6 308 OD2_AB42_1 C_AB42_35 1 5.796620e-04 1.056658e-06 ; 3.495103e-01 7.949783e-02 6.445999e-04 4.974271e-05 0.000485 0.002166 True native_MD 7 6 309 OD2_AB42_1 O_AB42_35 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 310 OD2_AB42_1 N_AB42_36 1 1.265275e-04 4.709348e-08 ; 2.682024e-01 8.498635e-02 7.596660e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 6 311 @@ -2222,8 +2222,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD2_AB42_1 N_AB42_39 1 2.116942e-04 1.335060e-07 ; 2.928411e-01 8.391834e-02 7.357702e-04 1.482685e-04 0.000485 0.002166 True native_MD 7 6 329 OD2_AB42_1 H_AB42_39 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 330 OD2_AB42_1 CA_AB42_39 1 3.444353e-04 3.420802e-07 ; 3.158664e-01 8.670166e-02 7.996796e-04 2.122704e-04 0.000485 0.001339 True native_MD 7 6 331 - OD2_AB42_1 CB_AB42_39 1 0.000000e+00 3.357723e-06 ; 3.116488e-01 -3.357723e-06 1.850966e-03 5.166632e-04 0.000485 0.000060 True native_MD 7 6 332 - OD2_AB42_1 CG1_AB42_39 1 0.000000e+00 1.216805e-06 ; 2.863717e-01 -1.216805e-06 1.245275e-03 7.033976e-04 0.000485 0.000060 True native_MD 7 6 333 + OD2_AB42_1 CB_AB42_39 1 0.000000e+00 3.357750e-06 ; 3.116490e-01 -3.357750e-06 1.850966e-03 5.166632e-04 0.000485 0.000060 True native_MD 7 6 332 + OD2_AB42_1 CG1_AB42_39 1 0.000000e+00 1.216806e-06 ; 2.863717e-01 -1.216806e-06 1.245275e-03 7.033976e-04 0.000485 0.000060 True native_MD 7 6 333 OD2_AB42_1 CG2_AB42_39 1 0.000000e+00 1.216229e-06 ; 2.863604e-01 -1.216229e-06 1.211969e-03 1.964625e-04 0.000485 0.000060 True native_MD 7 6 334 OD2_AB42_1 O_AB42_39 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 336 OD2_AB42_1 N_AB42_40 1 6.782145e-05 1.624833e-08 ; 2.492147e-01 7.077266e-02 4.964691e-04 8.363339e-05 0.000485 0.002166 True native_MD 7 6 337 @@ -2235,7 +2235,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD2_AB42_1 O_AB42_40 1 5.854237e-04 1.082099e-06 ; 3.503210e-01 7.917963e-02 1.594634e-03 1.491385e-04 0.000485 0.000060 True native_MD 7 6 344 OD2_AB42_1 H_AB42_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 346 OD2_AB42_1 CA_AB42_41 1 4.102544e-04 4.595704e-07 ; 3.222675e-01 9.155761e-02 9.247562e-04 1.370020e-04 0.000485 0.001339 True native_MD 7 6 347 - OD2_AB42_1 CB_AB42_41 1 0.000000e+00 3.358354e-06 ; 3.116536e-01 -3.358354e-06 1.346895e-03 2.000982e-04 0.000485 0.000060 True native_MD 7 6 348 + OD2_AB42_1 CB_AB42_41 1 0.000000e+00 3.358381e-06 ; 3.116539e-01 -3.358381e-06 1.346895e-03 2.000982e-04 0.000485 0.000060 True native_MD 7 6 348 OD2_AB42_1 CG1_AB42_41 1 4.917496e-04 7.650460e-07 ; 3.404008e-01 7.902062e-02 1.167174e-03 1.096809e-04 0.000485 0.000060 True native_MD 7 6 349 OD2_AB42_1 CG2_AB42_41 1 2.883406e-04 2.748021e-07 ; 3.137033e-01 7.563654e-02 1.442353e-03 1.499853e-04 0.000485 0.000060 True native_MD 7 6 350 OD2_AB42_1 CD_AB42_41 1 0.000000e+00 1.215655e-06 ; 2.863491e-01 -1.215655e-06 1.737114e-03 2.499596e-04 0.000485 0.000060 True native_MD 7 6 351 @@ -2247,20 +2247,20 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD2_AB42_1 C_AB42_42 1 9.703551e-04 2.907708e-06 ; 3.796966e-01 8.095629e-02 6.733571e-04 5.003342e-05 0.000485 0.002166 True native_MD 7 6 358 OD2_AB42_1 O1_AB42_42 1 6.621120e-04 7.783467e-07 ; 3.248680e-01 1.408088e-01 4.037651e-03 3.644247e-05 0.000485 0.000060 True native_MD 7 6 359 OD2_AB42_1 O2_AB42_42 1 6.621120e-04 7.783467e-07 ; 3.248680e-01 1.408088e-01 4.037651e-03 3.644247e-05 0.000485 0.000060 True native_MD 7 6 360 - C_AB42_1 CB_AB42_2 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 12 - C_AB42_1 O_AB42_2 1 0.000000e+00 7.255085e-07 ; 2.742933e-01 -7.255085e-07 9.079958e-01 7.853339e-01 0.000485 0.000060 True native_MD 4 7 14 - C_AB42_1 N_AB42_3 1 0.000000e+00 1.548689e-06 ; 2.921855e-01 -1.548689e-06 9.434434e-01 9.703241e-01 0.000485 0.000060 True native_MD 4 7 15 - C_AB42_1 CA_AB42_3 1 0.000000e+00 1.386599e-05 ; 3.507445e-01 -1.386599e-05 8.178679e-01 8.802442e-01 0.000485 0.000060 True native_MD 5 7 17 - C_AB42_1 CB_AB42_3 1 0.000000e+00 7.052765e-06 ; 3.315316e-01 -7.052765e-06 2.284604e-01 3.419445e-01 0.000485 0.000060 True native_MD 6 7 18 - C_AB42_1 CG_AB42_3 1 0.000000e+00 6.419629e-06 ; 3.289431e-01 -6.419629e-06 2.000410e-01 2.135662e-01 0.000485 0.000060 True native_MD 7 7 19 + C_AB42_1 CB_AB42_2 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 12 + C_AB42_1 O_AB42_2 1 0.000000e+00 7.255051e-07 ; 2.742932e-01 -7.255051e-07 9.079958e-01 7.853339e-01 0.000485 0.000060 True native_MD 4 7 14 + C_AB42_1 N_AB42_3 1 0.000000e+00 1.548667e-06 ; 2.921852e-01 -1.548667e-06 9.434434e-01 9.703241e-01 0.000485 0.000060 True native_MD 4 7 15 + C_AB42_1 CA_AB42_3 1 0.000000e+00 1.386592e-05 ; 3.507444e-01 -1.386592e-05 8.178679e-01 8.802442e-01 0.000485 0.000060 True native_MD 5 7 17 + C_AB42_1 CB_AB42_3 1 0.000000e+00 7.052647e-06 ; 3.315312e-01 -7.052647e-06 2.284604e-01 3.419445e-01 0.000485 0.000060 True native_MD 6 7 18 + C_AB42_1 CG_AB42_3 1 0.000000e+00 6.419521e-06 ; 3.289427e-01 -6.419521e-06 2.000410e-01 2.135662e-01 0.000485 0.000060 True native_MD 7 7 19 C_AB42_1 CD_AB42_3 1 1.275902e-03 2.057173e-06 ; 3.424330e-01 1.978355e-01 1.216331e-01 1.184201e-02 0.000485 0.002166 True native_MD 7 7 20 C_AB42_1 OE1_AB42_3 1 5.240555e-04 2.911648e-07 ; 2.867215e-01 2.358065e-01 9.303330e-02 2.907562e-03 0.000485 0.002166 True native_MD 7 7 21 C_AB42_1 OE2_AB42_3 1 5.240555e-04 2.911648e-07 ; 2.867215e-01 2.358065e-01 9.303330e-02 2.907562e-03 0.000485 0.002166 True native_MD 7 7 22 - C_AB42_1 C_AB42_3 1 0.000000e+00 2.924438e-06 ; 3.080812e-01 -2.924438e-06 9.881933e-02 2.242220e-01 0.000485 0.000060 True native_MD 6 7 23 + C_AB42_1 C_AB42_3 1 0.000000e+00 2.924386e-06 ; 3.080807e-01 -2.924386e-06 9.881933e-02 2.242220e-01 0.000485 0.000060 True native_MD 6 7 23 C_AB42_1 O_AB42_3 1 5.947918e-04 8.360047e-07 ; 3.346884e-01 1.057940e-01 6.193804e-02 9.474894e-02 0.000485 0.002166 True native_MD 7 7 24 C_AB42_1 N_AB42_4 1 5.582570e-04 1.099440e-06 ; 3.540432e-01 7.086586e-02 5.685920e-02 2.473787e-01 0.000485 0.002166 True native_MD 7 7 25 - C_AB42_1 CA_AB42_4 1 0.000000e+00 1.545366e-05 ; 3.539275e-01 -1.545366e-05 5.995415e-02 2.439731e-01 0.000485 0.001339 True native_MD 7 7 27 - C_AB42_1 CB_AB42_4 1 0.000000e+00 7.122656e-06 ; 3.318042e-01 -7.122656e-06 2.780908e-02 1.523275e-01 0.000485 0.000060 True native_MD 7 7 28 + C_AB42_1 CA_AB42_4 1 0.000000e+00 1.545358e-05 ; 3.539273e-01 -1.545358e-05 5.995415e-02 2.439731e-01 0.000485 0.001339 True native_MD 7 7 27 + C_AB42_1 CB_AB42_4 1 0.000000e+00 7.122536e-06 ; 3.318037e-01 -7.122536e-06 2.780908e-02 1.523275e-01 0.000485 0.000060 True native_MD 7 7 28 C_AB42_1 CG_AB42_4 1 1.078111e-03 3.954637e-06 ; 3.927117e-01 7.347850e-02 5.822169e-03 3.579050e-02 0.000485 0.003309 True native_MD 7 7 29 C_AB42_1 CD1_AB42_4 1 1.002699e-03 2.877981e-06 ; 3.769811e-01 8.733590e-02 1.469866e-02 5.968439e-02 0.000485 0.003309 True native_MD 7 7 30 C_AB42_1 CD2_AB42_4 1 1.002699e-03 2.877981e-06 ; 3.769811e-01 8.733590e-02 1.469866e-02 5.968439e-02 0.000485 0.003309 True native_MD 7 7 31 @@ -2271,9 +2271,9 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_1 O_AB42_4 1 2.619442e-04 2.005689e-07 ; 3.024655e-01 8.552519e-02 1.654860e-02 4.643073e-02 0.000485 0.002166 True native_MD 7 7 36 C_AB42_1 N_AB42_5 1 8.647317e-04 2.298496e-06 ; 3.721863e-01 8.133155e-02 9.156811e-03 2.912639e-02 0.000485 0.002166 True native_MD 7 7 37 C_AB42_1 CA_AB42_5 1 2.059990e-03 1.435502e-05 ; 4.370419e-01 7.390372e-02 1.781639e-02 4.374770e-02 0.000485 0.001339 True native_MD 7 7 39 - C_AB42_1 CB_AB42_5 1 0.000000e+00 6.479348e-06 ; 3.291971e-01 -6.479348e-06 1.597026e-02 3.892387e-02 0.000485 0.000060 True native_MD 7 7 40 - C_AB42_1 CG_AB42_5 1 0.000000e+00 6.539366e-06 ; 3.294501e-01 -6.539366e-06 1.621131e-02 4.864047e-02 0.000485 0.000060 True native_MD 7 7 41 - C_AB42_1 CD_AB42_5 1 0.000000e+00 6.435771e-06 ; 3.290120e-01 -6.435771e-06 2.002545e-02 3.609918e-02 0.000485 0.000060 True native_MD 7 7 42 + C_AB42_1 CB_AB42_5 1 0.000000e+00 6.479240e-06 ; 3.291966e-01 -6.479240e-06 1.597026e-02 3.892387e-02 0.000485 0.000060 True native_MD 7 7 40 + C_AB42_1 CG_AB42_5 1 0.000000e+00 6.539256e-06 ; 3.294496e-01 -6.539256e-06 1.621131e-02 4.864047e-02 0.000485 0.000060 True native_MD 7 7 41 + C_AB42_1 CD_AB42_5 1 0.000000e+00 6.435663e-06 ; 3.290115e-01 -6.435663e-06 2.002545e-02 3.609918e-02 0.000485 0.000060 True native_MD 7 7 42 C_AB42_1 NE_AB42_5 1 1.037098e-03 2.309608e-06 ; 3.613708e-01 1.164238e-01 9.138493e-03 1.017033e-02 0.000485 0.002166 True native_MD 7 7 43 C_AB42_1 CZ_AB42_5 1 1.453108e-03 3.635166e-06 ; 3.684436e-01 1.452150e-01 1.633529e-02 7.680525e-03 0.000485 0.002166 True native_MD 7 7 44 C_AB42_1 NH1_AB42_5 1 6.869673e-04 7.594544e-07 ; 3.215592e-01 1.553497e-01 1.431771e-02 4.970806e-03 0.000485 0.002166 True native_MD 7 7 45 @@ -2282,7 +2282,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_1 O_AB42_5 1 6.057681e-04 6.703443e-07 ; 3.216118e-01 1.368532e-01 3.979176e-03 2.402951e-03 0.000485 0.002166 True native_MD 7 7 48 C_AB42_1 N_AB42_6 1 1.078446e-03 2.915775e-06 ; 3.732438e-01 9.972013e-02 1.180627e-03 1.116235e-03 0.000485 0.002166 True native_MD 7 7 49 C_AB42_1 CA_AB42_6 1 2.248856e-03 1.217953e-05 ; 4.190618e-01 1.038085e-01 3.163841e-03 3.174586e-03 0.000485 0.001339 True native_MD 7 7 51 - C_AB42_1 CB_AB42_6 1 0.000000e+00 6.346937e-06 ; 3.286311e-01 -6.346937e-06 2.326988e-03 4.375608e-03 0.000485 0.000060 True native_MD 7 7 52 + C_AB42_1 CB_AB42_6 1 0.000000e+00 6.346830e-06 ; 3.286307e-01 -6.346830e-06 2.326988e-03 4.375608e-03 0.000485 0.000060 True native_MD 7 7 52 C_AB42_1 CG_AB42_6 1 1.924836e-03 7.845456e-06 ; 3.996723e-01 1.180618e-01 2.044060e-03 1.792397e-03 0.000485 0.002166 True native_MD 7 7 53 C_AB42_1 ND1_AB42_6 1 9.104379e-04 1.560577e-06 ; 3.459440e-01 1.327870e-01 6.538654e-03 4.459472e-03 0.000485 0.002166 True native_MD 7 7 54 C_AB42_1 CD2_AB42_6 1 8.646642e-04 2.083799e-06 ; 3.661576e-01 8.969727e-02 1.660545e-03 6.282661e-03 0.000485 0.003309 True native_MD 7 7 55 @@ -2291,20 +2291,20 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_1 C_AB42_6 1 1.425217e-03 5.952768e-06 ; 4.013035e-01 8.530667e-02 7.669832e-04 1.254090e-04 0.000485 0.002166 True native_MD 7 7 58 C_AB42_1 N_AB42_7 1 7.326651e-04 1.883380e-06 ; 3.701167e-01 7.125464e-02 5.036818e-04 2.331632e-04 0.000485 0.002166 True native_MD 7 7 60 C_AB42_1 CA_AB42_7 1 2.111404e-03 1.426630e-05 ; 4.348004e-01 7.812167e-02 1.416565e-03 3.065863e-03 0.000485 0.001339 True native_MD 7 7 62 - C_AB42_1 CB_AB42_7 1 0.000000e+00 6.357254e-06 ; 3.286756e-01 -6.357254e-06 3.261250e-03 6.938645e-03 0.000485 0.000060 True native_MD 7 7 63 + C_AB42_1 CB_AB42_7 1 0.000000e+00 6.357147e-06 ; 3.286751e-01 -6.357147e-06 3.261250e-03 6.938645e-03 0.000485 0.000060 True native_MD 7 7 63 C_AB42_1 CG_AB42_7 1 6.366249e-04 7.845443e-07 ; 3.274329e-01 1.291486e-01 6.060557e-03 4.608782e-03 0.000485 0.002166 True native_MD 7 7 64 C_AB42_1 OD1_AB42_7 1 3.926694e-04 2.769358e-07 ; 2.983495e-01 1.391923e-01 4.620978e-03 2.601880e-03 0.000485 0.002166 True native_MD 7 7 65 C_AB42_1 OD2_AB42_7 1 3.926694e-04 2.769358e-07 ; 2.983495e-01 1.391923e-01 4.620978e-03 2.601880e-03 0.000485 0.002166 True native_MD 7 7 66 C_AB42_1 O_AB42_7 1 3.446644e-04 3.888128e-07 ; 3.226443e-01 7.638223e-02 5.872160e-04 9.686551e-04 0.000485 0.002166 True native_MD 7 7 68 C_AB42_1 CA_AB42_8 1 1.954288e-03 1.130505e-05 ; 4.236892e-01 8.445871e-02 1.791946e-03 3.208343e-03 0.000485 0.001339 True native_MD 7 7 71 - C_AB42_1 CB_AB42_8 1 0.000000e+00 6.349008e-06 ; 3.286401e-01 -6.349008e-06 2.384988e-03 4.760591e-03 0.000485 0.000060 True native_MD 7 7 72 + C_AB42_1 CB_AB42_8 1 0.000000e+00 6.348901e-06 ; 3.286396e-01 -6.348901e-06 2.384988e-03 4.760591e-03 0.000485 0.000060 True native_MD 7 7 72 C_AB42_1 OG_AB42_8 1 3.856312e-04 3.393603e-07 ; 3.095624e-01 1.095528e-01 2.186510e-03 2.988932e-03 0.000485 0.002166 True native_MD 7 7 73 C_AB42_1 N_AB42_9 1 4.500023e-04 6.131017e-07 ; 3.329556e-01 8.257280e-02 7.067318e-04 1.502612e-04 0.000485 0.002166 True native_MD 7 7 76 C_AB42_1 CA_AB42_9 1 9.732444e-04 2.601600e-06 ; 3.725373e-01 9.102134e-02 1.527087e-03 2.657827e-03 0.000485 0.001584 True native_MD 7 7 78 C_AB42_1 C_AB42_9 1 4.646312e-04 6.715573e-07 ; 3.362501e-01 8.036625e-02 6.615716e-04 5.700236e-04 0.000485 0.002166 True native_MD 7 7 79 C_AB42_1 O_AB42_9 1 3.200265e-04 2.654136e-07 ; 3.065182e-01 9.646921e-02 1.071178e-03 7.384513e-04 0.000485 0.002166 True native_MD 7 7 80 C_AB42_1 CA_AB42_10 1 1.981568e-03 9.250442e-06 ; 4.088138e-01 1.061196e-01 1.429831e-03 2.503857e-04 0.000485 0.001339 True native_MD 7 7 83 - C_AB42_1 CB_AB42_10 1 0.000000e+00 6.332596e-06 ; 3.285692e-01 -6.332596e-06 1.152298e-03 9.368142e-04 0.000485 0.000060 True native_MD 7 7 84 + C_AB42_1 CB_AB42_10 1 0.000000e+00 6.332490e-06 ; 3.285687e-01 -6.332490e-06 1.152298e-03 9.368142e-04 0.000485 0.000060 True native_MD 7 7 84 C_AB42_1 CG_AB42_10 1 7.713427e-04 1.753318e-06 ; 3.626065e-01 8.483481e-02 7.562288e-04 5.639363e-04 0.000485 0.003309 True native_MD 7 7 85 C_AB42_1 CD1_AB42_10 1 4.898128e-04 5.871091e-07 ; 3.259228e-01 1.021602e-01 1.270062e-03 1.238370e-03 0.000485 0.003309 True native_MD 7 7 86 C_AB42_1 CD2_AB42_10 1 4.898128e-04 5.871091e-07 ; 3.259228e-01 1.021602e-01 1.270062e-03 1.238370e-03 0.000485 0.003309 True native_MD 7 7 87 @@ -2316,20 +2316,20 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_1 O_AB42_10 1 2.901271e-04 2.638391e-07 ; 3.112613e-01 7.975860e-02 6.496500e-04 1.223283e-04 0.000485 0.002166 True native_MD 7 7 93 C_AB42_1 CA_AB42_11 1 2.898903e-03 1.697504e-05 ; 4.245507e-01 1.237646e-01 2.424438e-03 3.605211e-04 0.000485 0.001339 True native_MD 7 7 96 C_AB42_1 CB_AB42_11 1 1.014247e-03 2.997077e-06 ; 3.788137e-01 8.580840e-02 4.106236e-03 3.149349e-04 0.000485 0.000060 True native_MD 7 7 97 - C_AB42_1 CG_AB42_11 1 0.000000e+00 6.296918e-06 ; 3.284145e-01 -6.296918e-06 6.678152e-03 8.298852e-04 0.000485 0.000060 True native_MD 7 7 98 + C_AB42_1 CG_AB42_11 1 0.000000e+00 6.296813e-06 ; 3.284141e-01 -6.296813e-06 6.678152e-03 8.298852e-04 0.000485 0.000060 True native_MD 7 7 98 C_AB42_1 CD_AB42_11 1 1.197877e-03 2.059310e-06 ; 3.461133e-01 1.741978e-01 1.096667e-02 7.933374e-04 0.000485 0.002166 True native_MD 7 7 99 C_AB42_1 OE1_AB42_11 1 5.968814e-04 5.414113e-07 ; 3.111286e-01 1.645087e-01 8.206307e-03 5.171838e-04 0.000485 0.002166 True native_MD 7 7 100 C_AB42_1 OE2_AB42_11 1 5.968814e-04 5.414113e-07 ; 3.111286e-01 1.645087e-01 8.206307e-03 5.171838e-04 0.000485 0.002166 True native_MD 7 7 101 C_AB42_1 O_AB42_11 1 2.844555e-04 2.621569e-07 ; 3.119544e-01 7.716271e-02 6.010928e-04 9.992942e-05 0.000485 0.002166 True native_MD 7 7 103 C_AB42_1 CA_AB42_12 1 2.766434e-03 1.795255e-05 ; 4.318845e-01 1.065748e-01 1.449440e-03 1.988980e-04 0.000485 0.001339 True native_MD 7 7 106 - C_AB42_1 CB_AB42_12 1 0.000000e+00 1.303498e-05 ; 3.489428e-01 -1.303498e-05 2.171029e-03 8.771842e-04 0.000485 0.000060 True native_MD 7 7 107 - C_AB42_1 CG1_AB42_12 1 0.000000e+00 4.721517e-06 ; 3.206283e-01 -4.721517e-06 1.649050e-03 6.760834e-04 0.000485 0.000060 True native_MD 7 7 108 - C_AB42_1 CG2_AB42_12 1 0.000000e+00 4.720245e-06 ; 3.206211e-01 -4.720245e-06 2.422625e-03 1.180364e-03 0.000485 0.000060 True native_MD 7 7 109 + C_AB42_1 CB_AB42_12 1 0.000000e+00 1.303491e-05 ; 3.489426e-01 -1.303491e-05 2.171029e-03 8.771842e-04 0.000485 0.000060 True native_MD 7 7 107 + C_AB42_1 CG1_AB42_12 1 0.000000e+00 4.721456e-06 ; 3.206279e-01 -4.721456e-06 1.649050e-03 6.760834e-04 0.000485 0.000060 True native_MD 7 7 108 + C_AB42_1 CG2_AB42_12 1 0.000000e+00 4.720183e-06 ; 3.206207e-01 -4.720183e-06 2.422625e-03 1.180364e-03 0.000485 0.000060 True native_MD 7 7 109 C_AB42_1 C_AB42_12 1 2.159342e-03 1.259577e-05 ; 4.242780e-01 9.254609e-02 9.525202e-04 2.922662e-05 0.000485 0.002166 True native_MD 7 7 110 C_AB42_1 O_AB42_12 1 6.816799e-04 1.052216e-06 ; 3.399545e-01 1.104068e-01 1.625564e-03 5.003026e-05 0.000485 0.002166 True native_MD 7 7 111 C_AB42_1 N_AB42_13 1 5.500538e-04 1.018616e-06 ; 3.504297e-01 7.425744e-02 5.510394e-04 5.002814e-05 0.000485 0.002166 True native_MD 7 7 112 C_AB42_1 CA_AB42_13 1 3.187652e-03 1.822929e-05 ; 4.228793e-01 1.393517e-01 3.865366e-03 3.846890e-04 0.000485 0.001339 True native_MD 7 7 114 - C_AB42_1 CB_AB42_13 1 0.000000e+00 6.320510e-06 ; 3.285169e-01 -6.320510e-06 2.653595e-03 5.299287e-04 0.000485 0.000060 True native_MD 7 7 115 + C_AB42_1 CB_AB42_13 1 0.000000e+00 6.320404e-06 ; 3.285164e-01 -6.320404e-06 2.653595e-03 5.299287e-04 0.000485 0.000060 True native_MD 7 7 115 C_AB42_1 CG_AB42_13 1 5.128400e-04 5.704876e-07 ; 3.218924e-01 1.152544e-01 1.879346e-03 3.328626e-04 0.000485 0.002166 True native_MD 7 7 116 C_AB42_1 ND1_AB42_13 1 6.839259e-04 8.919385e-07 ; 3.305377e-01 1.311062e-01 3.020140e-03 1.041865e-03 0.000485 0.002166 True native_MD 7 7 117 C_AB42_1 CD2_AB42_13 1 1.013796e-03 1.884709e-06 ; 3.506568e-01 1.363316e-01 3.531343e-03 1.087957e-03 0.000485 0.003309 True native_MD 7 7 118 @@ -2339,7 +2339,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_1 O_AB42_13 1 4.122941e-04 3.415184e-07 ; 3.064558e-01 1.244343e-01 2.473515e-03 9.747926e-05 0.000485 0.002166 True native_MD 7 7 122 C_AB42_1 N_AB42_14 1 7.135510e-04 1.185835e-06 ; 3.441649e-01 1.073410e-01 1.483062e-03 3.340424e-05 0.000485 0.002166 True native_MD 7 7 123 C_AB42_1 CA_AB42_14 1 3.542933e-03 2.026488e-05 ; 4.228927e-01 1.548538e-01 6.147044e-03 4.523481e-04 0.000485 0.001339 True native_MD 7 7 125 - C_AB42_1 CB_AB42_14 1 0.000000e+00 6.300899e-06 ; 3.284318e-01 -6.300899e-06 6.015878e-03 7.961019e-04 0.000485 0.000060 True native_MD 7 7 126 + C_AB42_1 CB_AB42_14 1 0.000000e+00 6.300793e-06 ; 3.284313e-01 -6.300793e-06 6.015878e-03 7.961019e-04 0.000485 0.000060 True native_MD 7 7 126 C_AB42_1 CG_AB42_14 1 1.226494e-03 2.540782e-06 ; 3.570401e-01 1.480141e-01 5.009256e-03 2.930408e-04 0.000485 0.002166 True native_MD 7 7 127 C_AB42_1 ND1_AB42_14 1 7.935972e-04 1.050544e-06 ; 3.313618e-01 1.498738e-01 5.295947e-03 6.405882e-04 0.000485 0.002166 True native_MD 7 7 128 C_AB42_1 CD2_AB42_14 1 6.318656e-04 6.563734e-07 ; 3.182397e-01 1.520682e-01 5.655402e-03 7.234445e-04 0.000485 0.003309 True native_MD 7 7 129 @@ -2349,8 +2349,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_1 O_AB42_14 1 5.365671e-04 6.796814e-07 ; 3.289376e-01 1.058968e-01 1.420328e-03 5.023595e-05 0.000485 0.002166 True native_MD 7 7 133 C_AB42_1 N_AB42_15 1 1.038070e-03 2.409647e-06 ; 3.638769e-01 1.117995e-01 1.694744e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 7 134 C_AB42_1 CA_AB42_15 1 3.234959e-03 1.774390e-05 ; 4.199492e-01 1.474444e-01 4.924586e-03 3.911758e-04 0.000485 0.001339 True native_MD 7 7 136 - C_AB42_1 CB_AB42_15 1 0.000000e+00 6.314304e-06 ; 3.284900e-01 -6.314304e-06 3.601508e-03 4.981200e-04 0.000485 0.000060 True native_MD 7 7 137 - C_AB42_1 CG_AB42_15 1 0.000000e+00 6.312928e-06 ; 3.284840e-01 -6.312928e-06 3.901728e-03 5.810345e-04 0.000485 0.000060 True native_MD 7 7 138 + C_AB42_1 CB_AB42_15 1 0.000000e+00 6.314198e-06 ; 3.284895e-01 -6.314198e-06 3.601508e-03 4.981200e-04 0.000485 0.000060 True native_MD 7 7 137 + C_AB42_1 CG_AB42_15 1 0.000000e+00 6.312822e-06 ; 3.284836e-01 -6.312822e-06 3.901728e-03 5.810345e-04 0.000485 0.000060 True native_MD 7 7 138 C_AB42_1 CD_AB42_15 1 1.627463e-03 4.961536e-06 ; 3.807888e-01 1.334584e-01 3.240393e-03 6.697430e-04 0.000485 0.002166 True native_MD 7 7 139 C_AB42_1 OE1_AB42_15 1 4.682911e-04 4.506556e-07 ; 3.142111e-01 1.216542e-01 2.276052e-03 7.091568e-04 0.000485 0.002166 True native_MD 7 7 140 C_AB42_1 NE2_AB42_15 1 1.133417e-03 2.428069e-06 ; 3.590420e-01 1.322690e-01 3.127088e-03 1.263203e-03 0.000485 0.002166 True native_MD 7 7 141 @@ -2369,19 +2369,19 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_1 CA_AB42_17 1 3.171214e-03 1.874824e-05 ; 4.252286e-01 1.341006e-01 3.303268e-03 1.503957e-04 0.000485 0.001339 True native_MD 7 7 156 C_AB42_1 CB_AB42_17 1 1.148848e-03 3.383577e-06 ; 3.786043e-01 9.751896e-02 3.585194e-03 1.936829e-04 0.000485 0.000060 True native_MD 7 7 157 C_AB42_1 CG_AB42_17 1 1.756539e-03 7.481745e-06 ; 4.026158e-01 1.030986e-01 6.131553e-03 2.803063e-04 0.000485 0.000060 True native_MD 7 7 158 - C_AB42_1 CD1_AB42_17 1 0.000000e+00 4.708588e-06 ; 3.205550e-01 -4.708588e-06 4.550906e-03 8.421880e-04 0.000485 0.000060 True native_MD 7 7 159 + C_AB42_1 CD1_AB42_17 1 0.000000e+00 4.708526e-06 ; 3.205547e-01 -4.708526e-06 4.550906e-03 8.421880e-04 0.000485 0.000060 True native_MD 7 7 159 C_AB42_1 CD2_AB42_17 1 6.064063e-04 1.134429e-06 ; 3.510230e-01 8.103828e-02 4.228374e-03 3.740640e-04 0.000485 0.000060 True native_MD 7 7 160 C_AB42_1 C_AB42_17 1 1.425396e-03 5.315732e-06 ; 3.937959e-01 9.555387e-02 1.042234e-03 5.000813e-05 0.000485 0.002166 True native_MD 7 7 161 C_AB42_1 O_AB42_17 1 2.644549e-04 1.736723e-07 ; 2.948242e-01 1.006729e-01 1.214775e-03 1.499996e-04 0.000485 0.002166 True native_MD 7 7 162 C_AB42_1 CA_AB42_18 1 3.357155e-03 2.267186e-05 ; 4.347630e-01 1.242784e-01 2.462005e-03 2.133856e-04 0.000485 0.001339 True native_MD 7 7 165 - C_AB42_1 CB_AB42_18 1 0.000000e+00 1.300618e-05 ; 3.488784e-01 -1.300618e-05 4.276142e-03 7.755379e-04 0.000485 0.000060 True native_MD 7 7 166 - C_AB42_1 CG1_AB42_18 1 0.000000e+00 4.714870e-06 ; 3.205906e-01 -4.714870e-06 3.039594e-03 6.600450e-04 0.000485 0.000060 True native_MD 7 7 167 - C_AB42_1 CG2_AB42_18 1 0.000000e+00 4.710634e-06 ; 3.205666e-01 -4.710634e-06 3.776360e-03 5.006658e-04 0.000485 0.000060 True native_MD 7 7 168 + C_AB42_1 CB_AB42_18 1 0.000000e+00 1.300611e-05 ; 3.488783e-01 -1.300611e-05 4.276142e-03 7.755379e-04 0.000485 0.000060 True native_MD 7 7 166 + C_AB42_1 CG1_AB42_18 1 0.000000e+00 4.714808e-06 ; 3.205903e-01 -4.714808e-06 3.039594e-03 6.600450e-04 0.000485 0.000060 True native_MD 7 7 167 + C_AB42_1 CG2_AB42_18 1 0.000000e+00 4.710573e-06 ; 3.205663e-01 -4.710573e-06 3.776360e-03 5.006658e-04 0.000485 0.000060 True native_MD 7 7 168 C_AB42_1 C_AB42_18 1 1.671865e-03 7.856348e-06 ; 4.092637e-01 8.894502e-02 8.552091e-04 4.699917e-05 0.000485 0.002166 True native_MD 7 7 169 C_AB42_1 O_AB42_18 1 4.266113e-04 4.393310e-07 ; 3.177800e-01 1.035650e-01 1.324595e-03 6.301759e-05 0.000485 0.002166 True native_MD 7 7 170 C_AB42_1 N_AB42_19 1 7.423492e-04 1.889883e-06 ; 3.695198e-01 7.289902e-02 5.290878e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 7 171 C_AB42_1 CA_AB42_19 1 2.192022e-03 9.535592e-06 ; 4.040333e-01 1.259744e-01 2.590184e-03 1.942359e-04 0.000485 0.001339 True native_MD 7 7 173 - C_AB42_1 CB_AB42_19 1 0.000000e+00 6.317872e-06 ; 3.285054e-01 -6.317872e-06 3.241866e-03 7.017009e-04 0.000485 0.000060 True native_MD 7 7 174 + C_AB42_1 CB_AB42_19 1 0.000000e+00 6.317766e-06 ; 3.285050e-01 -6.317766e-06 3.241866e-03 7.017009e-04 0.000485 0.000060 True native_MD 7 7 174 C_AB42_1 CG_AB42_19 1 1.278901e-03 3.347180e-06 ; 3.712277e-01 1.221616e-01 2.310877e-03 3.647987e-04 0.000485 0.003309 True native_MD 7 7 175 C_AB42_1 CD1_AB42_19 1 1.125865e-03 2.331135e-06 ; 3.570098e-01 1.359393e-01 3.490130e-03 7.366921e-04 0.000485 0.003309 True native_MD 7 7 176 C_AB42_1 CD2_AB42_19 1 1.125865e-03 2.331135e-06 ; 3.570098e-01 1.359393e-01 3.490130e-03 7.366921e-04 0.000485 0.003309 True native_MD 7 7 177 @@ -2403,7 +2403,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_1 O_AB42_20 1 2.997578e-04 1.693529e-07 ; 2.875215e-01 1.326442e-01 3.162394e-03 9.393575e-05 0.000485 0.002166 True native_MD 7 7 194 C_AB42_1 N_AB42_21 1 1.033364e-03 2.423034e-06 ; 3.644889e-01 1.101761e-01 1.614377e-03 2.376590e-08 0.000485 0.002166 True native_MD 7 7 195 C_AB42_1 CA_AB42_21 1 2.158373e-03 7.713656e-06 ; 3.910110e-01 1.509846e-01 5.474948e-03 1.939686e-04 0.000485 0.001339 True native_MD 7 7 197 - C_AB42_1 CB_AB42_21 1 0.000000e+00 4.711942e-06 ; 3.205740e-01 -4.711942e-06 3.441152e-03 4.421867e-04 0.000485 0.000060 True native_MD 7 7 198 + C_AB42_1 CB_AB42_21 1 0.000000e+00 4.711881e-06 ; 3.205737e-01 -4.711881e-06 3.441152e-03 4.421867e-04 0.000485 0.000060 True native_MD 7 7 198 C_AB42_1 C_AB42_21 1 1.830058e-03 6.774411e-06 ; 3.933095e-01 1.235942e-01 2.412106e-03 1.165056e-04 0.000485 0.002166 True native_MD 7 7 199 C_AB42_1 O_AB42_21 1 3.908501e-04 3.264074e-07 ; 3.068727e-01 1.170039e-01 1.980361e-03 1.888170e-04 0.000485 0.002166 True native_MD 7 7 200 C_AB42_1 N_AB42_22 1 9.417374e-04 2.089032e-06 ; 3.611347e-01 1.061340e-01 1.430446e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 7 201 @@ -2477,7 +2477,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_1 CA_AB42_32 1 2.734811e-03 1.616843e-05 ; 4.252295e-01 1.156450e-01 1.901442e-03 4.845803e-05 0.000485 0.001339 True native_MD 7 7 281 C_AB42_1 CB_AB42_32 1 2.372136e-03 1.682042e-05 ; 4.383115e-01 8.363395e-02 2.388654e-03 1.955198e-04 0.000485 0.000060 True native_MD 7 7 282 C_AB42_1 CG1_AB42_32 1 1.465355e-03 5.107203e-06 ; 3.893798e-01 1.051097e-01 3.087371e-03 1.328965e-04 0.000485 0.000060 True native_MD 7 7 283 - C_AB42_1 CG2_AB42_32 1 0.000000e+00 4.717723e-06 ; 3.206068e-01 -4.717723e-06 2.117163e-03 3.414466e-04 0.000485 0.000060 True native_MD 7 7 284 + C_AB42_1 CG2_AB42_32 1 0.000000e+00 4.717662e-06 ; 3.206064e-01 -4.717662e-06 2.117163e-03 3.414466e-04 0.000485 0.000060 True native_MD 7 7 284 C_AB42_1 CD_AB42_32 1 7.228512e-04 1.765719e-06 ; 3.669826e-01 7.398034e-02 4.116540e-03 4.498156e-04 0.000485 0.000060 True native_MD 7 7 285 C_AB42_1 C_AB42_32 1 1.489592e-03 7.715498e-06 ; 4.159579e-01 7.189703e-02 5.134584e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 7 286 C_AB42_1 O_AB42_32 1 4.291716e-04 6.151073e-07 ; 3.357788e-01 7.486021e-02 5.610695e-04 3.939997e-05 0.000485 0.002166 True native_MD 7 7 287 @@ -2547,11 +2547,11 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 O_AB42_1 O_AB42_1 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 8 8 O_AB42_1 H_AB42_2 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 8 10 O_AB42_1 CB_AB42_2 1 0.000000e+00 1.503551e-06 ; 2.914662e-01 -1.503551e-06 1.000000e+00 9.997068e-01 0.000485 0.000060 True native_MD 4 8 12 - O_AB42_1 C_AB42_2 1 0.000000e+00 8.172837e-07 ; 2.770295e-01 -8.172837e-07 9.998216e-01 9.881411e-01 0.000485 0.000060 True native_MD 4 8 13 + O_AB42_1 C_AB42_2 1 0.000000e+00 8.172800e-07 ; 2.770294e-01 -8.172800e-07 9.998216e-01 9.881411e-01 0.000485 0.000060 True native_MD 4 8 13 O_AB42_1 O_AB42_2 1 0.000000e+00 1.372938e-06 ; 2.892672e-01 -1.372938e-06 8.407456e-01 7.560378e-01 0.000485 0.000060 True native_MD 5 8 14 O_AB42_1 N_AB42_3 1 0.000000e+00 1.492446e-06 ; 2.912862e-01 -1.492446e-06 8.601241e-01 8.550881e-01 0.000485 0.000060 True native_MD 5 8 15 - O_AB42_1 H_AB42_3 1 0.000000e+00 1.625946e-08 ; 1.998729e-01 -1.625946e-08 1.794065e-01 2.273085e-01 0.000485 0.000060 True native_MD 6 8 16 - O_AB42_1 CA_AB42_3 1 0.000000e+00 4.203315e-06 ; 3.175370e-01 -4.203315e-06 5.941060e-01 6.061009e-01 0.000485 0.000060 True native_MD 6 8 17 + O_AB42_1 H_AB42_3 1 0.000000e+00 1.625971e-08 ; 1.998731e-01 -1.625971e-08 1.794065e-01 2.273085e-01 0.000485 0.000060 True native_MD 6 8 16 + O_AB42_1 CA_AB42_3 1 0.000000e+00 4.203349e-06 ; 3.175372e-01 -4.203349e-06 5.941060e-01 6.061009e-01 0.000485 0.000060 True native_MD 6 8 17 O_AB42_1 CB_AB42_3 1 1.114123e-03 2.739291e-06 ; 3.673817e-01 1.132839e-01 1.710976e-01 1.149735e-01 0.000485 0.001191 True native_MD 7 8 18 O_AB42_1 CG_AB42_3 1 5.621961e-04 7.820473e-07 ; 3.341111e-01 1.010375e-01 1.281132e-01 1.241966e-01 0.000485 0.001191 True native_MD 7 8 19 O_AB42_1 CD_AB42_3 1 9.703010e-04 1.454173e-06 ; 3.382867e-01 1.618590e-01 7.300401e-02 2.085961e-02 0.000485 0.002166 True native_MD 7 8 20 @@ -2561,8 +2561,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 O_AB42_1 O_AB42_3 1 0.000000e+00 1.522906e-06 ; 2.917770e-01 -1.522906e-06 1.106518e-01 1.259224e-01 0.000485 0.000060 True native_MD 7 8 24 O_AB42_1 N_AB42_4 1 1.125127e-04 4.376197e-08 ; 2.701775e-01 7.231802e-02 6.634419e-02 2.763775e-01 0.000485 0.002166 True native_MD 7 8 25 O_AB42_1 H_AB42_4 1 8.304126e-06 1.602786e-10 ; 1.637810e-01 1.075604e-01 4.530693e-02 1.613388e-01 0.000485 0.005316 True native_MD 7 8 26 - O_AB42_1 CA_AB42_4 1 0.000000e+00 4.889847e-06 ; 3.215656e-01 -4.889847e-06 5.853010e-02 2.358151e-01 0.000485 0.001339 True native_MD 7 8 27 - O_AB42_1 CB_AB42_4 1 0.000000e+00 2.277976e-06 ; 3.017339e-01 -2.277976e-06 3.894362e-02 1.690847e-01 0.000485 0.001191 True native_MD 7 8 28 + O_AB42_1 CA_AB42_4 1 0.000000e+00 4.889886e-06 ; 3.215658e-01 -4.889886e-06 5.853010e-02 2.358151e-01 0.000485 0.001339 True native_MD 7 8 27 + O_AB42_1 CB_AB42_4 1 0.000000e+00 2.277968e-06 ; 3.017338e-01 -2.277968e-06 3.894362e-02 1.690847e-01 0.000485 0.001191 True native_MD 7 8 28 O_AB42_1 CG_AB42_4 1 3.853161e-04 4.246865e-07 ; 3.213971e-01 8.739885e-02 1.674606e-02 6.787195e-02 0.000485 0.003309 True native_MD 7 8 29 O_AB42_1 CD1_AB42_4 1 2.692812e-04 1.913104e-07 ; 2.987139e-01 9.475750e-02 2.063119e-02 6.709098e-02 0.000485 0.003309 True native_MD 7 8 30 O_AB42_1 CD2_AB42_4 1 2.692812e-04 1.913104e-07 ; 2.987139e-01 9.475750e-02 2.063119e-02 6.709098e-02 0.000485 0.003309 True native_MD 7 8 31 @@ -2573,10 +2573,10 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 O_AB42_1 O_AB42_4 1 0.000000e+00 1.632811e-06 ; 2.934763e-01 -1.632811e-06 3.039800e-02 1.189386e-01 0.000485 0.000060 True native_MD 7 8 36 O_AB42_1 N_AB42_5 1 1.070096e-04 3.874518e-08 ; 2.669721e-01 7.388701e-02 2.368723e-02 9.415046e-02 0.000485 0.002166 True native_MD 7 8 37 O_AB42_1 H_AB42_5 1 6.530394e-06 1.019587e-10 ; 1.580935e-01 1.045670e-01 9.100019e-03 3.544215e-02 0.000485 0.005316 True native_MD 7 8 38 - O_AB42_1 CA_AB42_5 1 0.000000e+00 4.372044e-06 ; 3.185801e-01 -4.372044e-06 2.389765e-02 7.651587e-02 0.000485 0.001339 True native_MD 7 8 39 - O_AB42_1 CB_AB42_5 1 0.000000e+00 2.102910e-06 ; 2.997299e-01 -2.102910e-06 2.037903e-02 6.366686e-02 0.000485 0.001191 True native_MD 7 8 40 - O_AB42_1 CG_AB42_5 1 0.000000e+00 2.111283e-06 ; 2.998292e-01 -2.111283e-06 2.271437e-02 7.015661e-02 0.000485 0.001191 True native_MD 7 8 41 - O_AB42_1 CD_AB42_5 1 0.000000e+00 2.077525e-06 ; 2.994267e-01 -2.077525e-06 2.056498e-02 5.125933e-02 0.000485 0.001191 True native_MD 7 8 42 + O_AB42_1 CA_AB42_5 1 0.000000e+00 4.372079e-06 ; 3.185804e-01 -4.372079e-06 2.389765e-02 7.651587e-02 0.000485 0.001339 True native_MD 7 8 39 + O_AB42_1 CB_AB42_5 1 0.000000e+00 2.102902e-06 ; 2.997298e-01 -2.102902e-06 2.037903e-02 6.366686e-02 0.000485 0.001191 True native_MD 7 8 40 + O_AB42_1 CG_AB42_5 1 0.000000e+00 2.111276e-06 ; 2.998291e-01 -2.111276e-06 2.271437e-02 7.015661e-02 0.000485 0.001191 True native_MD 7 8 41 + O_AB42_1 CD_AB42_5 1 0.000000e+00 2.077518e-06 ; 2.994266e-01 -2.077518e-06 2.056498e-02 5.125933e-02 0.000485 0.001191 True native_MD 7 8 42 O_AB42_1 NE_AB42_5 1 1.195013e-04 3.409058e-08 ; 2.565726e-01 1.047252e-01 1.246476e-02 1.968786e-02 0.000485 0.002166 True native_MD 7 8 43 O_AB42_1 CZ_AB42_5 1 4.388468e-04 3.769221e-07 ; 3.083115e-01 1.277363e-01 1.708249e-02 1.355164e-02 0.000485 0.002166 True native_MD 7 8 44 O_AB42_1 NH1_AB42_5 1 1.400983e-04 3.621219e-08 ; 2.523889e-01 1.355037e-01 1.283855e-02 8.072590e-03 0.000485 0.002166 True native_MD 7 8 45 @@ -2586,7 +2586,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 O_AB42_1 N_AB42_6 1 1.725664e-04 7.980825e-08 ; 2.780878e-01 9.328345e-02 3.058856e-03 6.804216e-03 0.000485 0.002166 True native_MD 7 8 49 O_AB42_1 H_AB42_6 1 9.844920e-06 2.693339e-10 ; 1.735854e-01 8.996495e-02 8.817144e-04 1.858429e-03 0.000485 0.005316 True native_MD 7 8 50 O_AB42_1 CA_AB42_6 1 3.764129e-04 4.037259e-07 ; 3.199413e-01 8.773694e-02 3.351453e-03 5.439925e-03 0.000485 0.001339 True native_MD 7 8 51 - O_AB42_1 CB_AB42_6 1 0.000000e+00 2.022476e-06 ; 2.987574e-01 -2.022476e-06 2.110635e-03 5.493927e-03 0.000485 0.001191 True native_MD 7 8 52 + O_AB42_1 CB_AB42_6 1 0.000000e+00 2.022468e-06 ; 2.987573e-01 -2.022468e-06 2.110635e-03 5.493927e-03 0.000485 0.001191 True native_MD 7 8 52 O_AB42_1 CG_AB42_6 1 5.381368e-04 6.867701e-07 ; 3.293465e-01 1.054178e-01 2.414150e-03 3.734829e-03 0.000485 0.002166 True native_MD 7 8 53 O_AB42_1 ND1_AB42_6 1 3.432489e-04 2.555376e-07 ; 3.010516e-01 1.152666e-01 6.640292e-03 7.650689e-03 0.000485 0.002166 True native_MD 7 8 54 O_AB42_1 CD2_AB42_6 1 2.839751e-04 2.264827e-07 ; 3.045270e-01 8.901546e-02 2.377164e-03 9.179654e-03 0.000485 0.003309 True native_MD 7 8 55 @@ -2596,8 +2596,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 O_AB42_1 O_AB42_6 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 8 59 O_AB42_1 N_AB42_7 1 1.457952e-04 5.855842e-08 ; 2.716279e-01 9.074799e-02 9.026199e-04 1.888172e-03 0.000485 0.002166 True native_MD 7 8 60 O_AB42_1 H_AB42_7 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 8 61 - O_AB42_1 CA_AB42_7 1 0.000000e+00 4.170228e-06 ; 3.173279e-01 -4.170228e-06 1.332311e-03 5.361117e-03 0.000485 0.001339 True native_MD 7 8 62 - O_AB42_1 CB_AB42_7 1 0.000000e+00 2.026901e-06 ; 2.988118e-01 -2.026901e-06 3.113262e-03 8.691943e-03 0.000485 0.001191 True native_MD 7 8 63 + O_AB42_1 CA_AB42_7 1 0.000000e+00 4.170261e-06 ; 3.173282e-01 -4.170261e-06 1.332311e-03 5.361117e-03 0.000485 0.001339 True native_MD 7 8 62 + O_AB42_1 CB_AB42_7 1 0.000000e+00 2.026893e-06 ; 2.988117e-01 -2.026893e-06 3.113262e-03 8.691943e-03 0.000485 0.001191 True native_MD 7 8 63 O_AB42_1 CG_AB42_7 1 3.416621e-04 2.592271e-07 ; 3.020049e-01 1.125779e-01 4.764520e-03 5.949335e-03 0.000485 0.002166 True native_MD 7 8 64 O_AB42_1 OD1_AB42_7 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 8 65 O_AB42_1 OD2_AB42_7 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 8 66 @@ -2605,8 +2605,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 O_AB42_1 O_AB42_7 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 8 68 O_AB42_1 N_AB42_8 1 1.526269e-04 7.943836e-08 ; 2.836176e-01 7.331149e-02 5.356591e-04 1.754503e-03 0.000485 0.002166 True native_MD 7 8 69 O_AB42_1 H_AB42_8 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 8 70 - O_AB42_1 CA_AB42_8 1 0.000000e+00 4.166218e-06 ; 3.173025e-01 -4.166218e-06 1.576432e-03 4.639673e-03 0.000485 0.001339 True native_MD 7 8 71 - O_AB42_1 CB_AB42_8 1 0.000000e+00 2.022142e-06 ; 2.987533e-01 -2.022142e-06 1.893588e-03 5.111378e-03 0.000485 0.001191 True native_MD 7 8 72 + O_AB42_1 CA_AB42_8 1 0.000000e+00 4.166251e-06 ; 3.173027e-01 -4.166251e-06 1.576432e-03 4.639673e-03 0.000485 0.001339 True native_MD 7 8 71 + O_AB42_1 CB_AB42_8 1 0.000000e+00 2.022135e-06 ; 2.987532e-01 -2.022135e-06 1.893588e-03 5.111378e-03 0.000485 0.001191 True native_MD 7 8 72 O_AB42_1 OG_AB42_8 1 1.124036e-04 3.177295e-08 ; 2.561806e-01 9.941289e-02 1.942900e-03 3.597585e-03 0.000485 0.002166 True native_MD 7 8 73 O_AB42_1 C_AB42_8 1 6.170892e-04 1.041300e-06 ; 3.450415e-01 9.142393e-02 9.210641e-04 5.130262e-04 0.000485 0.002166 True native_MD 7 8 74 O_AB42_1 O_AB42_8 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 8 75 @@ -2894,18 +2894,18 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 O_AB42_1 C_AB42_42 1 9.479503e-04 1.166091e-06 ; 3.273340e-01 1.926543e-01 1.905231e-02 9.916430e-05 0.000485 0.002166 True native_MD 7 8 358 O_AB42_1 O1_AB42_42 1 2.934700e-04 1.230991e-07 ; 2.735995e-01 1.749091e-01 1.874083e-02 9.989730e-05 0.000485 0.000060 True native_MD 7 8 359 O_AB42_1 O2_AB42_42 1 2.934700e-04 1.230991e-07 ; 2.735995e-01 1.749091e-01 1.874083e-02 9.989730e-05 0.000485 0.000060 True native_MD 7 8 360 - N_AB42_2 CB_AB42_2 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 12 - N_AB42_2 CA_AB42_3 1 0.000000e+00 7.574867e-06 ; 3.335106e-01 -7.574867e-06 1.000000e+00 9.999831e-01 0.000485 0.000060 True native_MD 4 9 17 - N_AB42_2 CB_AB42_3 1 0.000000e+00 4.523354e-06 ; 3.194847e-01 -4.523354e-06 2.912802e-01 5.217627e-01 0.000485 0.000060 True native_MD 5 9 18 - N_AB42_2 CG_AB42_3 1 0.000000e+00 4.181588e-06 ; 3.173999e-01 -4.181588e-06 1.631334e-01 3.006456e-01 0.000485 0.000060 True native_MD 6 9 19 + N_AB42_2 CB_AB42_2 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 12 + N_AB42_2 CA_AB42_3 1 0.000000e+00 7.574855e-06 ; 3.335105e-01 -7.574855e-06 1.000000e+00 9.999831e-01 0.000485 0.000060 True native_MD 4 9 17 + N_AB42_2 CB_AB42_3 1 0.000000e+00 4.523295e-06 ; 3.194843e-01 -4.523295e-06 2.912802e-01 5.217627e-01 0.000485 0.000060 True native_MD 5 9 18 + N_AB42_2 CG_AB42_3 1 0.000000e+00 4.181533e-06 ; 3.173995e-01 -4.181533e-06 1.631334e-01 3.006456e-01 0.000485 0.000060 True native_MD 6 9 19 N_AB42_2 CD_AB42_3 1 1.479766e-03 2.172497e-06 ; 3.371277e-01 2.519804e-01 1.124574e-01 2.164349e-03 0.000485 0.002166 True native_MD 7 9 20 N_AB42_2 OE1_AB42_3 1 3.799451e-04 1.624986e-07 ; 2.744868e-01 2.220917e-01 9.859134e-02 4.644970e-03 0.000485 0.002166 True native_MD 7 9 21 N_AB42_2 OE2_AB42_3 1 3.799451e-04 1.624986e-07 ; 2.744868e-01 2.220917e-01 9.859134e-02 4.644970e-03 0.000485 0.002166 True native_MD 7 9 22 - N_AB42_2 C_AB42_3 1 0.000000e+00 1.554501e-06 ; 2.922767e-01 -1.554501e-06 6.455817e-02 9.529275e-02 0.000485 0.000060 True native_MD 5 9 23 + N_AB42_2 C_AB42_3 1 0.000000e+00 1.554479e-06 ; 2.922764e-01 -1.554479e-06 6.455817e-02 9.529275e-02 0.000485 0.000060 True native_MD 5 9 23 N_AB42_2 O_AB42_3 1 0.000000e+00 1.544160e-06 ; 2.921142e-01 -1.544160e-06 9.358126e-02 1.230211e-01 0.000485 0.000060 True native_MD 6 9 24 - N_AB42_2 N_AB42_4 1 0.000000e+00 9.557970e-07 ; 2.806675e-01 -9.557970e-07 3.220433e-02 1.241769e-01 0.000485 0.000060 True native_MD 6 9 25 - N_AB42_2 CA_AB42_4 1 0.000000e+00 7.857965e-06 ; 3.345319e-01 -7.857965e-06 1.822726e-02 5.558313e-02 0.000485 0.001339 True native_MD 7 9 27 - N_AB42_2 CB_AB42_4 1 0.000000e+00 3.721771e-06 ; 3.143336e-01 -3.721771e-06 8.397299e-04 1.326863e-02 0.000485 0.000060 True native_MD 7 9 28 + N_AB42_2 N_AB42_4 1 0.000000e+00 9.557870e-07 ; 2.806673e-01 -9.557870e-07 3.220433e-02 1.241769e-01 0.000485 0.000060 True native_MD 6 9 25 + N_AB42_2 CA_AB42_4 1 0.000000e+00 7.857953e-06 ; 3.345318e-01 -7.857953e-06 1.822726e-02 5.558313e-02 0.000485 0.001339 True native_MD 7 9 27 + N_AB42_2 CB_AB42_4 1 0.000000e+00 3.721722e-06 ; 3.143333e-01 -3.721722e-06 8.397299e-04 1.326863e-02 0.000485 0.000060 True native_MD 7 9 28 N_AB42_2 CG_AB42_4 1 1.480314e-03 6.342799e-06 ; 4.030150e-01 8.637079e-02 7.918007e-04 1.654152e-03 0.000485 0.003309 True native_MD 7 9 29 N_AB42_2 CD1_AB42_4 1 1.311826e-03 3.505716e-06 ; 3.725204e-01 1.227202e-01 7.375580e-03 1.038743e-02 0.000485 0.003309 True native_MD 7 9 30 N_AB42_2 CD2_AB42_4 1 1.311826e-03 3.505716e-06 ; 3.725204e-01 1.227202e-01 7.375580e-03 1.038743e-02 0.000485 0.003309 True native_MD 7 9 31 @@ -2914,11 +2914,11 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_2 CZ_AB42_4 1 1.509466e-03 3.039493e-06 ; 3.553554e-01 1.874068e-01 3.215248e-02 6.534556e-03 0.000485 0.003309 True native_MD 7 9 34 N_AB42_2 C_AB42_4 1 1.524985e-03 7.090749e-06 ; 4.085430e-01 8.199342e-02 6.945838e-04 1.170815e-03 0.000485 0.002166 True native_MD 7 9 35 N_AB42_2 O_AB42_4 1 7.320477e-04 1.352562e-06 ; 3.502969e-01 9.905160e-02 1.162424e-02 2.175790e-02 0.000485 0.002166 True native_MD 7 9 36 - N_AB42_2 N_AB42_5 1 0.000000e+00 8.755073e-07 ; 2.786228e-01 -8.755073e-07 6.080106e-04 8.517219e-04 0.000485 0.000060 True native_MD 7 9 37 + N_AB42_2 N_AB42_5 1 0.000000e+00 8.754981e-07 ; 2.786226e-01 -8.754981e-07 6.080106e-04 8.517219e-04 0.000485 0.000060 True native_MD 7 9 37 N_AB42_2 CA_AB42_5 1 3.459973e-03 2.834025e-05 ; 4.489746e-01 1.056044e-01 6.572411e-03 6.249756e-03 0.000485 0.001339 True native_MD 7 9 39 - N_AB42_2 CB_AB42_5 1 0.000000e+00 3.671811e-06 ; 3.139798e-01 -3.671811e-06 1.545021e-02 1.428845e-02 0.000485 0.000060 True native_MD 7 9 40 - N_AB42_2 CG_AB42_5 1 0.000000e+00 3.705228e-06 ; 3.142169e-01 -3.705228e-06 1.283671e-02 2.076537e-02 0.000485 0.000060 True native_MD 7 9 41 - N_AB42_2 CD_AB42_5 1 0.000000e+00 3.669362e-06 ; 3.139623e-01 -3.669362e-06 1.732042e-02 1.549234e-02 0.000485 0.000060 True native_MD 7 9 42 + N_AB42_2 CB_AB42_5 1 0.000000e+00 3.671763e-06 ; 3.139794e-01 -3.671763e-06 1.545021e-02 1.428845e-02 0.000485 0.000060 True native_MD 7 9 40 + N_AB42_2 CG_AB42_5 1 0.000000e+00 3.705179e-06 ; 3.142166e-01 -3.705179e-06 1.283671e-02 2.076537e-02 0.000485 0.000060 True native_MD 7 9 41 + N_AB42_2 CD_AB42_5 1 0.000000e+00 3.669313e-06 ; 3.139620e-01 -3.669313e-06 1.732042e-02 1.549234e-02 0.000485 0.000060 True native_MD 7 9 42 N_AB42_2 NE_AB42_5 1 1.462578e-03 3.899393e-06 ; 3.723743e-01 1.371453e-01 6.165681e-03 3.690944e-03 0.000485 0.002166 True native_MD 7 9 43 N_AB42_2 CZ_AB42_5 1 1.822012e-03 4.335231e-06 ; 3.653789e-01 1.914388e-01 1.837174e-02 2.156471e-03 0.000485 0.002166 True native_MD 7 9 44 N_AB42_2 NH1_AB42_5 1 4.031484e-04 5.373646e-07 ; 3.317422e-01 7.561376e-02 1.685779e-02 1.754179e-03 0.000485 0.000060 True native_MD 7 9 45 @@ -2927,7 +2927,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_2 O_AB42_5 1 3.489474e-04 2.488199e-07 ; 2.988965e-01 1.223418e-01 5.479127e-03 5.108210e-03 0.000485 0.002166 True native_MD 7 9 48 N_AB42_2 N_AB42_6 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 3.911648e-04 7.475599e-05 0.000485 0.000060 True native_MD 7 9 49 N_AB42_2 CA_AB42_6 1 2.507163e-03 1.241897e-05 ; 4.128736e-01 1.265376e-01 2.843936e-03 1.445425e-03 0.000485 0.001339 True native_MD 7 9 51 - N_AB42_2 CB_AB42_6 1 0.000000e+00 3.683915e-06 ; 3.140659e-01 -3.683915e-06 1.275452e-03 3.406438e-03 0.000485 0.000060 True native_MD 7 9 52 + N_AB42_2 CB_AB42_6 1 0.000000e+00 3.683867e-06 ; 3.140656e-01 -3.683867e-06 1.275452e-03 3.406438e-03 0.000485 0.000060 True native_MD 7 9 52 N_AB42_2 CG_AB42_6 1 4.531788e-04 6.665105e-07 ; 3.372274e-01 7.703218e-02 5.987494e-04 1.033981e-03 0.000485 0.002166 True native_MD 7 9 53 N_AB42_2 ND1_AB42_6 1 1.821201e-04 8.678903e-08 ; 2.794803e-01 9.554126e-02 1.078271e-03 2.241816e-03 0.000485 0.002166 True native_MD 7 9 54 N_AB42_2 CD2_AB42_6 1 8.440085e-04 2.036455e-06 ; 3.662306e-01 8.744979e-02 8.177851e-04 2.681305e-03 0.000485 0.003309 True native_MD 7 9 55 @@ -2936,21 +2936,21 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_2 O_AB42_6 1 8.550866e-04 2.467729e-06 ; 3.773241e-01 7.407347e-02 5.480141e-04 7.698899e-04 0.000485 0.002166 True native_MD 7 9 59 N_AB42_2 N_AB42_7 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.374868e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 9 60 N_AB42_2 CA_AB42_7 1 1.267130e-03 4.775245e-06 ; 3.944837e-01 8.405948e-02 7.388845e-04 7.463259e-04 0.000485 0.001339 True native_MD 7 9 62 - N_AB42_2 CB_AB42_7 1 0.000000e+00 3.680670e-06 ; 3.140428e-01 -3.680670e-06 1.138010e-03 2.386030e-03 0.000485 0.000060 True native_MD 7 9 63 + N_AB42_2 CB_AB42_7 1 0.000000e+00 3.680621e-06 ; 3.140425e-01 -3.680621e-06 1.138010e-03 2.386030e-03 0.000485 0.000060 True native_MD 7 9 63 N_AB42_2 CG_AB42_7 1 7.991759e-04 1.456562e-06 ; 3.495005e-01 1.096215e-01 1.587808e-03 1.526558e-03 0.000485 0.002166 True native_MD 7 9 64 N_AB42_2 OD1_AB42_7 1 1.312223e-04 3.944066e-08 ; 2.588150e-01 1.091468e-01 2.496625e-03 3.454647e-03 0.000485 0.002166 True native_MD 7 9 65 N_AB42_2 OD2_AB42_7 1 1.312223e-04 3.944066e-08 ; 2.588150e-01 1.091468e-01 2.496625e-03 3.454647e-03 0.000485 0.002166 True native_MD 7 9 66 N_AB42_2 O_AB42_7 1 1.234049e-04 4.895020e-08 ; 2.710631e-01 7.777685e-02 6.122423e-04 1.285781e-03 0.000485 0.002166 True native_MD 7 9 68 N_AB42_2 N_AB42_8 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.237270e-05 5.358987e-07 0.000485 0.000060 True native_MD 7 9 69 N_AB42_2 CA_AB42_8 1 2.001820e-03 1.221023e-05 ; 4.274479e-01 8.204767e-02 7.954370e-04 1.530744e-03 0.000485 0.001339 True native_MD 7 9 71 - N_AB42_2 CB_AB42_8 1 0.000000e+00 3.681493e-06 ; 3.140487e-01 -3.681493e-06 1.430906e-03 2.903065e-03 0.000485 0.000060 True native_MD 7 9 72 + N_AB42_2 CB_AB42_8 1 0.000000e+00 3.681445e-06 ; 3.140484e-01 -3.681445e-06 1.430906e-03 2.903065e-03 0.000485 0.000060 True native_MD 7 9 72 N_AB42_2 OG_AB42_8 1 1.708010e-04 7.318362e-08 ; 2.745705e-01 9.965678e-02 1.178391e-03 2.056122e-03 0.000485 0.002166 True native_MD 7 9 73 N_AB42_2 N_AB42_9 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.488508e-04 1.000419e-04 0.000485 0.000060 True native_MD 7 9 76 N_AB42_2 CA_AB42_9 1 1.058408e-03 3.046807e-06 ; 3.771655e-01 9.191809e-02 9.347860e-04 1.446138e-03 0.000485 0.001584 True native_MD 7 9 78 N_AB42_2 O_AB42_9 1 1.375578e-04 5.045855e-08 ; 2.675520e-01 9.375096e-02 9.874917e-04 8.770888e-04 0.000485 0.002166 True native_MD 7 9 80 N_AB42_2 N_AB42_10 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 8.996868e-05 3.157491e-05 0.000485 0.000060 True native_MD 7 9 81 N_AB42_2 CA_AB42_10 1 1.781164e-03 1.012753e-05 ; 4.224740e-01 7.831484e-02 6.221791e-04 2.139390e-04 0.000485 0.001339 True native_MD 7 9 83 - N_AB42_2 CB_AB42_10 1 0.000000e+00 3.675281e-06 ; 3.140045e-01 -3.675281e-06 6.534391e-04 4.356635e-04 0.000485 0.000060 True native_MD 7 9 84 + N_AB42_2 CB_AB42_10 1 0.000000e+00 3.675233e-06 ; 3.140042e-01 -3.675233e-06 6.534391e-04 4.356635e-04 0.000485 0.000060 True native_MD 7 9 84 N_AB42_2 CD1_AB42_10 1 6.664568e-04 1.187415e-06 ; 3.481810e-01 9.351500e-02 9.805434e-04 5.969644e-04 0.000485 0.003309 True native_MD 7 9 86 N_AB42_2 CD2_AB42_10 1 6.664568e-04 1.187415e-06 ; 3.481810e-01 9.351500e-02 9.805434e-04 5.969644e-04 0.000485 0.003309 True native_MD 7 9 87 N_AB42_2 CE1_AB42_10 1 6.845885e-04 1.002045e-06 ; 3.369584e-01 1.169262e-01 1.975763e-03 1.032384e-03 0.000485 0.003309 True native_MD 7 9 88 @@ -2967,12 +2967,12 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_2 O_AB42_11 1 1.687856e-04 7.245816e-08 ; 2.746578e-01 9.829317e-02 1.131272e-03 1.999251e-04 0.000485 0.002166 True native_MD 7 9 103 N_AB42_2 N_AB42_12 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.957232e-06 0.000485 0.000060 True native_MD 7 9 104 N_AB42_2 CA_AB42_12 1 3.078035e-03 2.692398e-05 ; 4.539182e-01 8.797265e-02 8.306819e-04 1.474075e-04 0.000485 0.001339 True native_MD 7 9 106 - N_AB42_2 CB_AB42_12 1 0.000000e+00 7.567496e-06 ; 3.334835e-01 -7.567496e-06 1.455788e-03 4.658985e-04 0.000485 0.000060 True native_MD 7 9 107 - N_AB42_2 CG1_AB42_12 1 0.000000e+00 2.740377e-06 ; 3.064168e-01 -2.740377e-06 1.306505e-03 3.772230e-04 0.000485 0.000060 True native_MD 7 9 108 - N_AB42_2 CG2_AB42_12 1 0.000000e+00 2.740743e-06 ; 3.064202e-01 -2.740743e-06 1.732458e-03 9.364441e-04 0.000485 0.000060 True native_MD 7 9 109 + N_AB42_2 CB_AB42_12 1 0.000000e+00 7.567485e-06 ; 3.334835e-01 -7.567485e-06 1.455788e-03 4.658985e-04 0.000485 0.000060 True native_MD 7 9 107 + N_AB42_2 CG1_AB42_12 1 0.000000e+00 2.740351e-06 ; 3.064165e-01 -2.740351e-06 1.306505e-03 3.772230e-04 0.000485 0.000060 True native_MD 7 9 108 + N_AB42_2 CG2_AB42_12 1 0.000000e+00 2.740717e-06 ; 3.064199e-01 -2.740717e-06 1.732458e-03 9.364441e-04 0.000485 0.000060 True native_MD 7 9 109 N_AB42_2 N_AB42_13 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 6.408957e-05 7.200328e-07 0.000485 0.000060 True native_MD 7 9 112 N_AB42_2 CA_AB42_13 1 4.104679e-03 3.685743e-05 ; 4.559049e-01 1.142808e-01 1.825380e-03 1.040961e-04 0.000485 0.001339 True native_MD 7 9 114 - N_AB42_2 CB_AB42_13 1 0.000000e+00 3.670648e-06 ; 3.139715e-01 -3.670648e-06 1.729721e-03 2.515741e-04 0.000485 0.000060 True native_MD 7 9 115 + N_AB42_2 CB_AB42_13 1 0.000000e+00 3.670600e-06 ; 3.139712e-01 -3.670600e-06 1.729721e-03 2.515741e-04 0.000485 0.000060 True native_MD 7 9 115 N_AB42_2 CG_AB42_13 1 5.543680e-04 8.437440e-07 ; 3.391580e-01 9.105959e-02 9.110759e-04 1.276559e-04 0.000485 0.002166 True native_MD 7 9 116 N_AB42_2 ND1_AB42_13 1 3.139179e-04 2.259840e-07 ; 2.993714e-01 1.090171e-01 1.559344e-03 5.150485e-04 0.000485 0.002166 True native_MD 7 9 117 N_AB42_2 CD2_AB42_13 1 1.113955e-03 2.596413e-06 ; 3.641255e-01 1.194817e-01 2.132785e-03 4.475731e-04 0.000485 0.003309 True native_MD 7 9 118 @@ -2991,8 +2991,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_2 O_AB42_14 1 3.224591e-04 2.226210e-07 ; 2.972911e-01 1.167678e-01 1.966415e-03 9.642534e-05 0.000485 0.002166 True native_MD 7 9 133 N_AB42_2 N_AB42_15 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 4.010160e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 9 134 N_AB42_2 CA_AB42_15 1 3.596598e-03 2.473422e-05 ; 4.360816e-01 1.307451e-01 2.987682e-03 1.277217e-04 0.000485 0.001339 True native_MD 7 9 136 - N_AB42_2 CB_AB42_15 1 0.000000e+00 3.670702e-06 ; 3.139719e-01 -3.670702e-06 1.849471e-03 3.860356e-04 0.000485 0.000060 True native_MD 7 9 137 - N_AB42_2 CG_AB42_15 1 0.000000e+00 3.669025e-06 ; 3.139599e-01 -3.669025e-06 2.378431e-03 4.587888e-04 0.000485 0.000060 True native_MD 7 9 138 + N_AB42_2 CB_AB42_15 1 0.000000e+00 3.670654e-06 ; 3.139715e-01 -3.670654e-06 1.849471e-03 3.860356e-04 0.000485 0.000060 True native_MD 7 9 137 + N_AB42_2 CG_AB42_15 1 0.000000e+00 3.668977e-06 ; 3.139596e-01 -3.668977e-06 2.378431e-03 4.587888e-04 0.000485 0.000060 True native_MD 7 9 138 N_AB42_2 CD_AB42_15 1 6.122118e-04 8.816193e-07 ; 3.360443e-01 1.062826e-01 1.436824e-03 7.093188e-04 0.000485 0.002166 True native_MD 7 9 139 N_AB42_2 OE1_AB42_15 1 1.518084e-04 4.526929e-08 ; 2.584747e-01 1.272705e-01 2.692628e-03 1.133422e-03 0.000485 0.002166 True native_MD 7 9 140 N_AB42_2 NE2_AB42_15 1 7.732680e-04 1.239752e-06 ; 3.421113e-01 1.205772e-01 2.203866e-03 9.116063e-04 0.000485 0.002166 True native_MD 7 9 141 @@ -3018,12 +3018,12 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_2 N_AB42_18 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.542864e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 9 163 N_AB42_2 CA_AB42_18 1 2.264574e-03 1.234025e-05 ; 4.194912e-01 1.038937e-01 1.337689e-03 1.373386e-04 0.000485 0.001339 True native_MD 7 9 165 N_AB42_2 CB_AB42_18 1 2.262628e-03 1.258525e-05 ; 4.209283e-01 1.016962e-01 3.492726e-03 1.665149e-04 0.000485 0.000060 True native_MD 7 9 166 - N_AB42_2 CG1_AB42_18 1 0.000000e+00 2.736972e-06 ; 3.063850e-01 -2.736972e-06 2.587413e-03 4.165625e-04 0.000485 0.000060 True native_MD 7 9 167 + N_AB42_2 CG1_AB42_18 1 0.000000e+00 2.736946e-06 ; 3.063848e-01 -2.736946e-06 2.587413e-03 4.165625e-04 0.000485 0.000060 True native_MD 7 9 167 N_AB42_2 CG2_AB42_18 1 9.303819e-04 2.180058e-06 ; 3.644471e-01 9.926463e-02 3.162862e-03 1.621702e-04 0.000485 0.000060 True native_MD 7 9 168 N_AB42_2 O_AB42_18 1 2.704103e-04 1.520893e-07 ; 2.873068e-01 1.201953e-01 2.178824e-03 1.000673e-04 0.000485 0.002166 True native_MD 7 9 170 N_AB42_2 N_AB42_19 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.153469e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 9 171 N_AB42_2 CA_AB42_19 1 2.202147e-03 9.684929e-06 ; 4.047700e-01 1.251804e-01 2.529362e-03 6.705579e-05 0.000485 0.001339 True native_MD 7 9 173 - N_AB42_2 CB_AB42_19 1 0.000000e+00 3.668264e-06 ; 3.139545e-01 -3.668264e-06 2.568842e-03 4.422003e-04 0.000485 0.000060 True native_MD 7 9 174 + N_AB42_2 CB_AB42_19 1 0.000000e+00 3.668216e-06 ; 3.139542e-01 -3.668216e-06 2.568842e-03 4.422003e-04 0.000485 0.000060 True native_MD 7 9 174 N_AB42_2 CG_AB42_19 1 1.114044e-03 2.620421e-06 ; 3.646796e-01 1.184060e-01 2.065220e-03 1.757388e-04 0.000485 0.003309 True native_MD 7 9 175 N_AB42_2 CD1_AB42_19 1 6.115912e-04 7.492509e-07 ; 3.271104e-01 1.248059e-01 2.501177e-03 1.249912e-04 0.000485 0.003309 True native_MD 7 9 176 N_AB42_2 CD2_AB42_19 1 6.115912e-04 7.492509e-07 ; 3.271104e-01 1.248059e-01 2.501177e-03 1.249912e-04 0.000485 0.003309 True native_MD 7 9 177 @@ -3045,7 +3045,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_2 O_AB42_20 1 1.813896e-04 6.037371e-08 ; 2.632526e-01 1.362438e-01 3.522077e-03 2.680658e-08 0.000485 0.002166 True native_MD 7 9 194 N_AB42_2 N_AB42_21 1 5.597151e-04 1.012209e-06 ; 3.490470e-01 7.737553e-02 6.049332e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 9 195 N_AB42_2 CA_AB42_21 1 2.049865e-03 7.523957e-06 ; 3.927536e-01 1.396189e-01 3.896407e-03 7.633990e-05 0.000485 0.001339 True native_MD 7 9 197 - N_AB42_2 CB_AB42_21 1 0.000000e+00 2.738415e-06 ; 3.063985e-01 -2.738415e-06 2.137049e-03 4.925035e-04 0.000485 0.000060 True native_MD 7 9 198 + N_AB42_2 CB_AB42_21 1 0.000000e+00 2.738389e-06 ; 3.063982e-01 -2.738389e-06 2.137049e-03 4.925035e-04 0.000485 0.000060 True native_MD 7 9 198 N_AB42_2 C_AB42_21 1 7.191727e-04 1.505957e-06 ; 3.576816e-01 8.586056e-02 7.798024e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 9 199 N_AB42_2 O_AB42_21 1 2.775435e-04 1.719453e-07 ; 2.919733e-01 1.119984e-01 1.704863e-03 1.500443e-04 0.000485 0.002166 True native_MD 7 9 200 N_AB42_2 N_AB42_22 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 4.765895e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 9 201 @@ -3188,7 +3188,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_2 O1_AB42_42 1 1.797469e-04 4.701222e-08 ; 2.528861e-01 1.718115e-01 1.021080e-02 0.000000e+00 0.000485 0.002166 True native_MD 7 9 359 N_AB42_2 O2_AB42_42 1 1.797469e-04 4.701222e-08 ; 2.528861e-01 1.718115e-01 1.021080e-02 0.000000e+00 0.000485 0.002166 True native_MD 7 9 360 H_AB42_2 H_AB42_2 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 10 10 - H_AB42_2 O_AB42_2 1 0.000000e+00 1.167037e-08 ; 1.944250e-01 -1.167037e-08 4.382928e-01 1.904336e-01 0.000485 0.000060 True native_MD 4 10 14 + H_AB42_2 O_AB42_2 1 0.000000e+00 1.167055e-08 ; 1.944252e-01 -1.167055e-08 4.382928e-01 1.904336e-01 0.000485 0.000060 True native_MD 4 10 14 H_AB42_2 H_AB42_3 1 0.000000e+00 1.657814e-08 ; 2.001964e-01 -1.657814e-08 2.801913e-01 6.617029e-01 0.000485 0.000060 True native_MD 5 10 16 H_AB42_2 OE1_AB42_3 1 1.006268e-05 1.288840e-10 ; 1.529611e-01 1.964120e-01 2.131987e-02 2.852487e-04 0.000485 0.005316 True native_MD 7 10 21 H_AB42_2 OE2_AB42_3 1 1.006268e-05 1.288840e-10 ; 1.529611e-01 1.964120e-01 2.131987e-02 2.852487e-04 0.000485 0.005316 True native_MD 7 10 22 @@ -3285,16 +3285,16 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 H_AB42_2 H_AB42_42 1 7.113187e-05 1.284388e-08 ; 2.377417e-01 9.848553e-02 1.137803e-03 0.000000e+00 0.000485 0.000060 True native_MD 7 10 355 H_AB42_2 O1_AB42_42 1 5.398547e-06 5.434448e-11 ; 1.469422e-01 1.340721e-01 3.300454e-03 0.000000e+00 0.000485 0.005316 True native_MD 7 10 359 H_AB42_2 O2_AB42_42 1 5.398547e-06 5.434448e-11 ; 1.469422e-01 1.340721e-01 3.300454e-03 0.000000e+00 0.000485 0.005316 True native_MD 7 10 360 - CA_AB42_2 CB_AB42_3 1 0.000000e+00 3.181365e-05 ; 3.758773e-01 -3.181365e-05 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 11 18 - CA_AB42_2 CG_AB42_3 1 0.000000e+00 4.002406e-05 ; 3.831379e-01 -4.002406e-05 6.053525e-01 8.634305e-01 0.000485 0.000060 True native_MD 5 11 19 - CA_AB42_2 CD_AB42_3 1 0.000000e+00 1.159844e-05 ; 3.455638e-01 -1.159844e-05 1.611735e-01 4.981588e-02 0.000485 0.000060 True native_MD 6 11 20 + CA_AB42_2 CB_AB42_3 1 0.000000e+00 3.181352e-05 ; 3.758772e-01 -3.181352e-05 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 11 18 + CA_AB42_2 CG_AB42_3 1 0.000000e+00 4.002389e-05 ; 3.831377e-01 -4.002389e-05 6.053525e-01 8.634305e-01 0.000485 0.000060 True native_MD 5 11 19 + CA_AB42_2 CD_AB42_3 1 0.000000e+00 1.159838e-05 ; 3.455637e-01 -1.159838e-05 1.611735e-01 4.981588e-02 0.000485 0.000060 True native_MD 6 11 20 CA_AB42_2 OE1_AB42_3 1 1.532412e-03 3.258360e-06 ; 3.585948e-01 1.801739e-01 9.145659e-02 9.336934e-03 0.000485 0.001339 True native_MD 7 11 21 CA_AB42_2 OE2_AB42_3 1 1.532412e-03 3.258360e-06 ; 3.585948e-01 1.801739e-01 9.145659e-02 9.336934e-03 0.000485 0.001339 True native_MD 7 11 22 - CA_AB42_2 C_AB42_3 1 0.000000e+00 1.305178e-05 ; 3.489802e-01 -1.305178e-05 9.999956e-01 9.999888e-01 0.000485 0.000060 True native_MD 4 11 23 - CA_AB42_2 O_AB42_3 1 0.000000e+00 2.642433e-06 ; 3.054888e-01 -2.642433e-06 6.753187e-01 3.115139e-01 0.000485 0.000060 True native_MD 5 11 24 - CA_AB42_2 N_AB42_4 1 0.000000e+00 9.404880e-06 ; 3.395792e-01 -9.404880e-06 5.128587e-01 7.544279e-01 0.000485 0.000060 True native_MD 5 11 25 - CA_AB42_2 CA_AB42_4 1 0.000000e+00 8.005885e-05 ; 4.059250e-01 -8.005885e-05 5.221725e-01 7.434057e-01 0.000485 0.000060 True native_MD 6 11 27 - CA_AB42_2 CB_AB42_4 1 0.000000e+00 3.728026e-05 ; 3.808771e-01 -3.728026e-05 1.191828e-01 2.910149e-01 0.000485 0.001021 True native_MD 7 11 28 + CA_AB42_2 C_AB42_3 1 0.000000e+00 1.305171e-05 ; 3.489801e-01 -1.305171e-05 9.999956e-01 9.999888e-01 0.000485 0.000060 True native_MD 4 11 23 + CA_AB42_2 O_AB42_3 1 0.000000e+00 2.642454e-06 ; 3.054890e-01 -2.642454e-06 6.753187e-01 3.115139e-01 0.000485 0.000060 True native_MD 5 11 24 + CA_AB42_2 N_AB42_4 1 0.000000e+00 9.404866e-06 ; 3.395792e-01 -9.404866e-06 5.128587e-01 7.544279e-01 0.000485 0.000060 True native_MD 5 11 25 + CA_AB42_2 CA_AB42_4 1 0.000000e+00 8.005944e-05 ; 4.059252e-01 -8.005944e-05 5.221725e-01 7.434057e-01 0.000485 0.000060 True native_MD 6 11 27 + CA_AB42_2 CB_AB42_4 1 0.000000e+00 3.728010e-05 ; 3.808770e-01 -3.728010e-05 1.191828e-01 2.910149e-01 0.000485 0.001021 True native_MD 7 11 28 CA_AB42_2 CG_AB42_4 1 4.533273e-03 3.954307e-05 ; 4.537080e-01 1.299252e-01 1.279810e-01 8.484194e-02 0.000485 0.001933 True native_MD 7 11 29 CA_AB42_2 CD1_AB42_4 1 2.538297e-03 1.192457e-05 ; 4.092450e-01 1.350772e-01 2.000664e-01 1.136790e-01 0.000485 0.001933 True native_MD 7 11 30 CA_AB42_2 CD2_AB42_4 1 2.538297e-03 1.192457e-05 ; 4.092450e-01 1.350772e-01 2.000664e-01 1.136790e-01 0.000485 0.001933 True native_MD 7 11 31 @@ -3303,10 +3303,10 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CA_AB42_2 CZ_AB42_4 1 2.074850e-03 7.037321e-06 ; 3.876176e-01 1.529347e-01 2.597610e-01 8.649512e-02 0.000485 0.001933 True native_MD 7 11 34 CA_AB42_2 C_AB42_4 1 3.363147e-03 3.471044e-05 ; 4.666082e-01 8.146511e-02 8.405188e-02 1.645925e-01 0.000485 0.001339 True native_MD 7 11 35 CA_AB42_2 O_AB42_4 1 1.113910e-03 3.894904e-06 ; 3.895900e-01 7.964217e-02 7.141240e-02 1.476857e-01 0.000485 0.001339 True native_MD 7 11 36 - CA_AB42_2 N_AB42_5 1 0.000000e+00 8.442598e-06 ; 3.365384e-01 -8.442598e-06 5.083508e-02 1.653703e-01 0.000485 0.001339 True native_MD 7 11 37 - CA_AB42_2 CA_AB42_5 1 0.000000e+00 7.489801e-05 ; 4.036772e-01 -7.489801e-05 8.422867e-02 2.267374e-01 0.000485 0.000883 True native_MD 7 11 39 - CA_AB42_2 CB_AB42_5 1 0.000000e+00 3.537254e-05 ; 3.792136e-01 -3.537254e-05 7.195610e-02 1.838229e-01 0.000485 0.001021 True native_MD 7 11 40 - CA_AB42_2 CG_AB42_5 1 0.000000e+00 3.501102e-05 ; 3.788891e-01 -3.501102e-05 7.718826e-02 1.776912e-01 0.000485 0.001021 True native_MD 7 11 41 + CA_AB42_2 N_AB42_5 1 0.000000e+00 8.442585e-06 ; 3.365384e-01 -8.442585e-06 5.083508e-02 1.653703e-01 0.000485 0.001339 True native_MD 7 11 37 + CA_AB42_2 CA_AB42_5 1 0.000000e+00 7.489856e-05 ; 4.036774e-01 -7.489856e-05 8.422867e-02 2.267374e-01 0.000485 0.000883 True native_MD 7 11 39 + CA_AB42_2 CB_AB42_5 1 0.000000e+00 3.537239e-05 ; 3.792134e-01 -3.537239e-05 7.195610e-02 1.838229e-01 0.000485 0.001021 True native_MD 7 11 40 + CA_AB42_2 CG_AB42_5 1 0.000000e+00 3.501087e-05 ; 3.788889e-01 -3.501087e-05 7.718826e-02 1.776912e-01 0.000485 0.001021 True native_MD 7 11 41 CA_AB42_2 CD_AB42_5 1 1.356217e-03 6.101745e-06 ; 4.063068e-01 7.536064e-02 7.562191e-02 1.355569e-01 0.000485 0.001021 True native_MD 7 11 42 CA_AB42_2 NE_AB42_5 1 9.225305e-04 2.209011e-06 ; 3.657656e-01 9.631715e-02 4.314428e-02 5.417069e-02 0.000485 0.001339 True native_MD 7 11 43 CA_AB42_2 CZ_AB42_5 1 1.053735e-03 2.626529e-06 ; 3.682209e-01 1.056868e-01 5.191126e-02 4.924056e-02 0.000485 0.001339 True native_MD 7 11 44 @@ -3315,27 +3315,27 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CA_AB42_2 C_AB42_5 1 1.348155e-03 5.366800e-06 ; 3.981034e-01 8.466508e-02 1.717801e-02 3.056656e-02 0.000485 0.001339 True native_MD 7 11 47 CA_AB42_2 O_AB42_5 1 3.525930e-04 3.882259e-07 ; 3.213427e-01 8.005768e-02 1.234576e-02 2.521636e-02 0.000485 0.001339 True native_MD 7 11 48 CA_AB42_2 N_AB42_6 1 1.215801e-03 4.847138e-06 ; 3.982023e-01 7.623946e-02 9.466452e-03 2.167561e-02 0.000485 0.001339 True native_MD 7 11 49 - CA_AB42_2 CA_AB42_6 1 0.000000e+00 6.749740e-05 ; 4.001925e-01 -6.749740e-05 1.460073e-02 4.421925e-02 0.000485 0.000883 True native_MD 7 11 51 - CA_AB42_2 CB_AB42_6 1 0.000000e+00 3.270405e-05 ; 3.767429e-01 -3.270405e-05 1.046474e-02 3.845253e-02 0.000485 0.001021 True native_MD 7 11 52 - CA_AB42_2 CG_AB42_6 1 0.000000e+00 1.329238e-05 ; 3.495118e-01 -1.329238e-05 5.491269e-03 2.391903e-02 0.000485 0.001339 True native_MD 7 11 53 - CA_AB42_2 ND1_AB42_6 1 0.000000e+00 1.020423e-05 ; 3.418955e-01 -1.020423e-05 5.119648e-03 3.198242e-02 0.000485 0.001339 True native_MD 7 11 54 - CA_AB42_2 CD2_AB42_6 1 0.000000e+00 1.339093e-05 ; 3.497271e-01 -1.339093e-05 8.421579e-03 3.439997e-02 0.000485 0.001933 True native_MD 7 11 55 - CA_AB42_2 CE1_AB42_6 1 0.000000e+00 1.350049e-05 ; 3.499646e-01 -1.350049e-05 1.024811e-02 4.462052e-02 0.000485 0.001933 True native_MD 7 11 56 - CA_AB42_2 NE2_AB42_6 1 0.000000e+00 1.019325e-05 ; 3.418648e-01 -1.019325e-05 1.049864e-02 3.625662e-02 0.000485 0.001339 True native_MD 7 11 57 + CA_AB42_2 CA_AB42_6 1 0.000000e+00 6.749790e-05 ; 4.001927e-01 -6.749790e-05 1.460073e-02 4.421925e-02 0.000485 0.000883 True native_MD 7 11 51 + CA_AB42_2 CB_AB42_6 1 0.000000e+00 3.270391e-05 ; 3.767428e-01 -3.270391e-05 1.046474e-02 3.845253e-02 0.000485 0.001021 True native_MD 7 11 52 + CA_AB42_2 CG_AB42_6 1 0.000000e+00 1.329231e-05 ; 3.495117e-01 -1.329231e-05 5.491269e-03 2.391903e-02 0.000485 0.001339 True native_MD 7 11 53 + CA_AB42_2 ND1_AB42_6 1 0.000000e+00 1.020417e-05 ; 3.418953e-01 -1.020417e-05 5.119648e-03 3.198242e-02 0.000485 0.001339 True native_MD 7 11 54 + CA_AB42_2 CD2_AB42_6 1 0.000000e+00 1.339086e-05 ; 3.497269e-01 -1.339086e-05 8.421579e-03 3.439997e-02 0.000485 0.001933 True native_MD 7 11 55 + CA_AB42_2 CE1_AB42_6 1 0.000000e+00 1.350042e-05 ; 3.499645e-01 -1.350042e-05 1.024811e-02 4.462052e-02 0.000485 0.001933 True native_MD 7 11 56 + CA_AB42_2 NE2_AB42_6 1 0.000000e+00 1.019319e-05 ; 3.418646e-01 -1.019319e-05 1.049864e-02 3.625662e-02 0.000485 0.001339 True native_MD 7 11 57 CA_AB42_2 C_AB42_6 1 3.334637e-03 2.836251e-05 ; 4.518032e-01 9.801498e-02 3.303240e-03 3.941937e-03 0.000485 0.001339 True native_MD 7 11 58 - CA_AB42_2 O_AB42_6 1 0.000000e+00 4.163988e-06 ; 3.172883e-01 -4.163988e-06 1.185760e-03 3.712172e-03 0.000485 0.001339 True native_MD 7 11 59 + CA_AB42_2 O_AB42_6 1 0.000000e+00 4.164021e-06 ; 3.172886e-01 -4.164021e-06 1.185760e-03 3.712172e-03 0.000485 0.001339 True native_MD 7 11 59 CA_AB42_2 N_AB42_7 1 2.195445e-03 1.235273e-05 ; 4.217354e-01 9.754884e-02 2.411102e-03 2.917755e-03 0.000485 0.001339 True native_MD 7 11 60 - CA_AB42_2 CA_AB42_7 1 0.000000e+00 6.628085e-05 ; 3.995864e-01 -6.628085e-05 5.158828e-03 1.621977e-02 0.000485 0.000883 True native_MD 7 11 62 - CA_AB42_2 CB_AB42_7 1 0.000000e+00 3.229964e-05 ; 3.763525e-01 -3.229964e-05 5.110025e-03 2.038601e-02 0.000485 0.001021 True native_MD 7 11 63 + CA_AB42_2 CA_AB42_7 1 0.000000e+00 6.628134e-05 ; 3.995866e-01 -6.628134e-05 5.158828e-03 1.621977e-02 0.000485 0.000883 True native_MD 7 11 62 + CA_AB42_2 CB_AB42_7 1 0.000000e+00 3.229950e-05 ; 3.763524e-01 -3.229950e-05 5.110025e-03 2.038601e-02 0.000485 0.001021 True native_MD 7 11 63 CA_AB42_2 CG_AB42_7 1 7.034815e-04 1.657985e-06 ; 3.647999e-01 7.462162e-02 5.414207e-03 1.301188e-02 0.000485 0.001339 True native_MD 7 11 64 CA_AB42_2 OD1_AB42_7 1 4.426088e-04 6.186061e-07 ; 3.343739e-01 7.917097e-02 4.205266e-03 8.820320e-03 0.000485 0.001339 True native_MD 7 11 65 CA_AB42_2 OD2_AB42_7 1 4.426088e-04 6.186061e-07 ; 3.343739e-01 7.917097e-02 4.205266e-03 8.820320e-03 0.000485 0.001339 True native_MD 7 11 66 CA_AB42_2 C_AB42_7 1 1.940905e-03 1.155871e-05 ; 4.257462e-01 8.147781e-02 1.986668e-03 3.888865e-03 0.000485 0.001339 True native_MD 7 11 67 - CA_AB42_2 O_AB42_7 1 0.000000e+00 4.169498e-06 ; 3.173233e-01 -4.169498e-06 1.279004e-03 5.131921e-03 0.000485 0.001339 True native_MD 7 11 68 + CA_AB42_2 O_AB42_7 1 0.000000e+00 4.169531e-06 ; 3.173235e-01 -4.169531e-06 1.279004e-03 5.131921e-03 0.000485 0.001339 True native_MD 7 11 68 CA_AB42_2 N_AB42_8 1 2.142150e-03 1.283764e-05 ; 4.261926e-01 8.936235e-02 1.433227e-03 2.215875e-03 0.000485 0.001339 True native_MD 7 11 69 - CA_AB42_2 CA_AB42_8 1 0.000000e+00 6.633753e-05 ; 3.996148e-01 -6.633753e-05 4.763108e-03 1.668876e-02 0.000485 0.000883 True native_MD 7 11 71 - CA_AB42_2 CB_AB42_8 1 0.000000e+00 3.224602e-05 ; 3.763004e-01 -3.224602e-05 5.478213e-03 1.906877e-02 0.000485 0.001021 True native_MD 7 11 72 - CA_AB42_2 OG_AB42_8 1 0.000000e+00 5.787797e-06 ; 3.261152e-01 -5.787797e-06 3.763663e-03 1.283990e-02 0.000485 0.001339 True native_MD 7 11 73 + CA_AB42_2 CA_AB42_8 1 0.000000e+00 6.633802e-05 ; 3.996151e-01 -6.633802e-05 4.763108e-03 1.668876e-02 0.000485 0.000883 True native_MD 7 11 71 + CA_AB42_2 CB_AB42_8 1 0.000000e+00 3.224588e-05 ; 3.763003e-01 -3.224588e-05 5.478213e-03 1.906877e-02 0.000485 0.001021 True native_MD 7 11 72 + CA_AB42_2 OG_AB42_8 1 0.000000e+00 5.787777e-06 ; 3.261152e-01 -5.787777e-06 3.763663e-03 1.283990e-02 0.000485 0.001339 True native_MD 7 11 73 CA_AB42_2 C_AB42_8 1 1.448019e-03 6.134558e-06 ; 4.022550e-01 8.544871e-02 1.813800e-03 3.152670e-03 0.000485 0.001339 True native_MD 7 11 74 CA_AB42_2 O_AB42_8 1 5.882309e-04 1.091559e-06 ; 3.505499e-01 7.924803e-02 1.435589e-03 3.004121e-03 0.000485 0.001339 True native_MD 7 11 75 CA_AB42_2 N_AB42_9 1 1.068872e-03 2.779327e-06 ; 3.708250e-01 1.027665e-01 2.197774e-03 2.275120e-03 0.000485 0.001339 True native_MD 7 11 76 @@ -3589,18 +3589,18 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CA_AB42_2 C_AB42_42 1 4.474092e-03 2.585210e-05 ; 4.236090e-01 1.935771e-01 1.958576e-02 1.983616e-04 0.000485 0.001339 True native_MD 7 11 358 CA_AB42_2 O1_AB42_42 1 9.172826e-04 1.314103e-06 ; 3.357539e-01 1.600725e-01 7.186093e-03 9.886435e-05 0.000485 0.001339 True native_MD 7 11 359 CA_AB42_2 O2_AB42_42 1 9.172826e-04 1.314103e-06 ; 3.357539e-01 1.600725e-01 7.186093e-03 9.886435e-05 0.000485 0.001339 True native_MD 7 11 360 - CB_AB42_2 C_AB42_2 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 13 + CB_AB42_2 C_AB42_2 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 13 CB_AB42_2 O_AB42_2 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 14 - CB_AB42_2 N_AB42_3 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 15 - CB_AB42_2 CA_AB42_3 1 0.000000e+00 2.373795e-05 ; 3.668163e-01 -2.373795e-05 9.999982e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 12 17 - CB_AB42_2 CB_AB42_3 1 0.000000e+00 1.187846e-05 ; 3.462515e-01 -1.187846e-05 4.530889e-01 4.842222e-01 0.000485 0.000060 True native_MD 5 12 18 - CB_AB42_2 CG_AB42_3 1 0.000000e+00 1.452337e-05 ; 3.521010e-01 -1.452337e-05 7.569804e-02 3.364280e-01 0.000485 0.000060 True native_MD 6 12 19 - CB_AB42_2 CD_AB42_3 1 0.000000e+00 4.688379e-06 ; 3.204401e-01 -4.688379e-06 2.027427e-02 1.228956e-02 0.000485 0.000060 True native_MD 7 12 20 - CB_AB42_2 OE1_AB42_3 1 0.000000e+00 1.205583e-06 ; 2.861507e-01 -1.205583e-06 1.447576e-02 4.716331e-03 0.000485 0.000060 True native_MD 7 12 21 - CB_AB42_2 OE2_AB42_3 1 0.000000e+00 1.205583e-06 ; 2.861507e-01 -1.205583e-06 1.447576e-02 4.716331e-03 0.000485 0.000060 True native_MD 7 12 22 - CB_AB42_2 C_AB42_3 1 0.000000e+00 3.201676e-06 ; 3.104153e-01 -3.201676e-06 5.280227e-01 2.054661e-01 0.000485 0.000060 True native_MD 5 12 23 + CB_AB42_2 N_AB42_3 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 15 + CB_AB42_2 CA_AB42_3 1 0.000000e+00 2.373794e-05 ; 3.668163e-01 -2.373794e-05 9.999982e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 12 17 + CB_AB42_2 CB_AB42_3 1 0.000000e+00 1.187832e-05 ; 3.462512e-01 -1.187832e-05 4.530889e-01 4.842222e-01 0.000485 0.000060 True native_MD 5 12 18 + CB_AB42_2 CG_AB42_3 1 0.000000e+00 1.452319e-05 ; 3.521007e-01 -1.452319e-05 7.569804e-02 3.364280e-01 0.000485 0.000060 True native_MD 6 12 19 + CB_AB42_2 CD_AB42_3 1 0.000000e+00 4.688318e-06 ; 3.204398e-01 -4.688318e-06 2.027427e-02 1.228956e-02 0.000485 0.000060 True native_MD 7 12 20 + CB_AB42_2 OE1_AB42_3 1 0.000000e+00 1.205584e-06 ; 2.861507e-01 -1.205584e-06 1.447576e-02 4.716331e-03 0.000485 0.000060 True native_MD 7 12 21 + CB_AB42_2 OE2_AB42_3 1 0.000000e+00 1.205584e-06 ; 2.861507e-01 -1.205584e-06 1.447576e-02 4.716331e-03 0.000485 0.000060 True native_MD 7 12 22 + CB_AB42_2 C_AB42_3 1 0.000000e+00 3.201634e-06 ; 3.104150e-01 -3.201634e-06 5.280227e-01 2.054661e-01 0.000485 0.000060 True native_MD 5 12 23 CB_AB42_2 O_AB42_3 1 0.000000e+00 1.260819e-06 ; 2.872209e-01 -1.260819e-06 2.004815e-01 3.879666e-02 0.000485 0.000060 True native_MD 6 12 24 - CB_AB42_2 N_AB42_4 1 0.000000e+00 2.848104e-06 ; 3.074029e-01 -2.848104e-06 1.279715e-01 1.663168e-01 0.000485 0.000060 True native_MD 6 12 25 + CB_AB42_2 N_AB42_4 1 0.000000e+00 2.848078e-06 ; 3.074027e-01 -2.848078e-06 1.279715e-01 1.663168e-01 0.000485 0.000060 True native_MD 6 12 25 CB_AB42_2 CA_AB42_4 1 4.135044e-03 3.794190e-05 ; 4.575513e-01 1.126630e-01 1.533438e-01 1.703925e-01 0.000485 0.001932 True native_MD 7 12 27 CB_AB42_2 CB_AB42_4 1 2.762693e-03 1.833911e-05 ; 4.335184e-01 1.040464e-01 4.958211e-02 8.604186e-02 0.000485 0.002332 True native_MD 7 12 28 CB_AB42_2 CG_AB42_4 1 3.350744e-03 1.570498e-05 ; 4.090873e-01 1.787249e-01 9.527591e-02 4.032596e-02 0.000485 0.005315 True native_MD 7 12 29 @@ -3609,48 +3609,48 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_2 CE1_AB42_4 1 1.144003e-03 1.620672e-06 ; 3.351285e-01 2.018827e-01 2.282327e-01 4.830649e-02 0.000485 0.005315 True native_MD 7 12 32 CB_AB42_2 CE2_AB42_4 1 1.144003e-03 1.620672e-06 ; 3.351285e-01 2.018827e-01 2.282327e-01 4.830649e-02 0.000485 0.005315 True native_MD 7 12 33 CB_AB42_2 CZ_AB42_4 1 1.095820e-03 1.436891e-06 ; 3.308370e-01 2.089270e-01 2.534069e-01 4.344041e-02 0.000485 0.005315 True native_MD 7 12 34 - CB_AB42_2 C_AB42_4 1 0.000000e+00 4.741571e-06 ; 3.207415e-01 -4.741571e-06 5.449965e-02 5.776988e-02 0.000485 0.000060 True native_MD 7 12 35 + CB_AB42_2 C_AB42_4 1 0.000000e+00 4.741509e-06 ; 3.207412e-01 -4.741509e-06 5.449965e-02 5.776988e-02 0.000485 0.000060 True native_MD 7 12 35 CB_AB42_2 O_AB42_4 1 3.338133e-04 2.812165e-07 ; 3.073191e-01 9.906188e-02 5.956016e-02 6.125594e-02 0.000485 0.001191 True native_MD 7 12 36 - CB_AB42_2 N_AB42_5 1 0.000000e+00 2.798831e-06 ; 3.069562e-01 -2.798831e-06 2.144278e-02 4.182426e-02 0.000485 0.000060 True native_MD 7 12 37 + CB_AB42_2 N_AB42_5 1 0.000000e+00 2.798805e-06 ; 3.069559e-01 -2.798805e-06 2.144278e-02 4.182426e-02 0.000485 0.000060 True native_MD 7 12 37 CB_AB42_2 CA_AB42_5 1 2.589039e-03 1.586443e-05 ; 4.277739e-01 1.056313e-01 5.946852e-02 8.155671e-02 0.000485 0.001932 True native_MD 7 12 39 CB_AB42_2 CB_AB42_5 1 1.128555e-03 2.924043e-06 ; 3.706041e-01 1.088934e-01 5.434360e-02 8.157158e-02 0.000485 0.002332 True native_MD 7 12 40 CB_AB42_2 CG_AB42_5 1 1.200803e-03 3.352239e-06 ; 3.752412e-01 1.075348e-01 5.481795e-02 8.569807e-02 0.000485 0.002332 True native_MD 7 12 41 CB_AB42_2 CD_AB42_5 1 1.393835e-03 4.302054e-06 ; 3.815728e-01 1.128981e-01 5.886883e-02 7.838401e-02 0.000485 0.002332 True native_MD 7 12 42 - CB_AB42_2 NE_AB42_5 1 0.000000e+00 2.738546e-06 ; 3.063997e-01 -2.738546e-06 3.434583e-02 3.274877e-02 0.000485 0.000060 True native_MD 7 12 43 - CB_AB42_2 CZ_AB42_5 1 0.000000e+00 4.681747e-06 ; 3.204023e-01 -4.681747e-06 4.322900e-02 3.384109e-02 0.000485 0.000060 True native_MD 7 12 44 - CB_AB42_2 NH1_AB42_5 1 0.000000e+00 2.698953e-06 ; 3.060281e-01 -2.698953e-06 3.603370e-02 2.000232e-02 0.000485 0.000060 True native_MD 7 12 45 - CB_AB42_2 NH2_AB42_5 1 0.000000e+00 2.698953e-06 ; 3.060281e-01 -2.698953e-06 3.603370e-02 2.000232e-02 0.000485 0.000060 True native_MD 7 12 46 - CB_AB42_2 C_AB42_5 1 0.000000e+00 4.764363e-06 ; 3.208697e-01 -4.764363e-06 7.473942e-03 1.556663e-02 0.000485 0.000060 True native_MD 7 12 47 + CB_AB42_2 NE_AB42_5 1 0.000000e+00 2.738520e-06 ; 3.063995e-01 -2.738520e-06 3.434583e-02 3.274877e-02 0.000485 0.000060 True native_MD 7 12 43 + CB_AB42_2 CZ_AB42_5 1 0.000000e+00 4.681686e-06 ; 3.204020e-01 -4.681686e-06 4.322900e-02 3.384109e-02 0.000485 0.000060 True native_MD 7 12 44 + CB_AB42_2 NH1_AB42_5 1 0.000000e+00 2.698928e-06 ; 3.060278e-01 -2.698928e-06 3.603370e-02 2.000232e-02 0.000485 0.000060 True native_MD 7 12 45 + CB_AB42_2 NH2_AB42_5 1 0.000000e+00 2.698928e-06 ; 3.060278e-01 -2.698928e-06 3.603370e-02 2.000232e-02 0.000485 0.000060 True native_MD 7 12 46 + CB_AB42_2 C_AB42_5 1 0.000000e+00 4.764300e-06 ; 3.208694e-01 -4.764300e-06 7.473942e-03 1.556663e-02 0.000485 0.000060 True native_MD 7 12 47 CB_AB42_2 O_AB42_5 1 2.247231e-04 1.581091e-07 ; 2.982301e-01 7.985067e-02 7.135010e-03 1.303973e-02 0.000485 0.001191 True native_MD 7 12 48 - CB_AB42_2 N_AB42_6 1 0.000000e+00 2.756637e-06 ; 3.065679e-01 -2.756637e-06 3.794698e-03 8.793209e-03 0.000485 0.000060 True native_MD 7 12 49 + CB_AB42_2 N_AB42_6 1 0.000000e+00 2.756611e-06 ; 3.065676e-01 -2.756611e-06 3.794698e-03 8.793209e-03 0.000485 0.000060 True native_MD 7 12 49 CB_AB42_2 CA_AB42_6 1 9.470656e-04 2.512502e-06 ; 3.720669e-01 8.924701e-02 9.168367e-03 2.053080e-02 0.000485 0.001932 True native_MD 7 12 51 CB_AB42_2 CB_AB42_6 1 9.683891e-04 2.617654e-06 ; 3.732304e-01 8.956278e-02 7.748783e-03 2.074233e-02 0.000485 0.002332 True native_MD 7 12 52 - CB_AB42_2 CG_AB42_6 1 0.000000e+00 4.764316e-06 ; 3.208695e-01 -4.764316e-06 7.045762e-03 1.512866e-02 0.000485 0.000060 True native_MD 7 12 53 - CB_AB42_2 ND1_AB42_6 1 0.000000e+00 3.649444e-06 ; 3.138200e-01 -3.649444e-06 6.920947e-03 2.112892e-02 0.000485 0.000060 True native_MD 7 12 54 + CB_AB42_2 CG_AB42_6 1 0.000000e+00 4.764254e-06 ; 3.208691e-01 -4.764254e-06 7.045762e-03 1.512866e-02 0.000485 0.000060 True native_MD 7 12 53 + CB_AB42_2 ND1_AB42_6 1 0.000000e+00 3.649394e-06 ; 3.138196e-01 -3.649394e-06 6.920947e-03 2.112892e-02 0.000485 0.000060 True native_MD 7 12 54 CB_AB42_2 CD2_AB42_6 1 6.255247e-04 8.206285e-07 ; 3.308646e-01 1.192017e-01 9.132310e-03 2.295015e-02 0.000485 0.005315 True native_MD 7 12 55 CB_AB42_2 CE1_AB42_6 1 4.850141e-04 5.393278e-07 ; 3.218719e-01 1.090425e-01 9.130223e-03 3.109720e-02 0.000485 0.005315 True native_MD 7 12 56 - CB_AB42_2 NE2_AB42_6 1 0.000000e+00 3.658614e-06 ; 3.138856e-01 -3.658614e-06 1.052435e-02 2.728079e-02 0.000485 0.000060 True native_MD 7 12 57 - CB_AB42_2 C_AB42_6 1 0.000000e+00 4.735496e-06 ; 3.207073e-01 -4.735496e-06 2.532932e-03 4.517717e-03 0.000485 0.000060 True native_MD 7 12 58 + CB_AB42_2 NE2_AB42_6 1 0.000000e+00 3.658564e-06 ; 3.138852e-01 -3.658564e-06 1.052435e-02 2.728079e-02 0.000485 0.000060 True native_MD 7 12 57 + CB_AB42_2 C_AB42_6 1 0.000000e+00 4.735434e-06 ; 3.207069e-01 -4.735434e-06 2.532932e-03 4.517717e-03 0.000485 0.000060 True native_MD 7 12 58 CB_AB42_2 O_AB42_6 1 0.000000e+00 1.507845e-06 ; 2.915355e-01 -1.507845e-06 1.325455e-03 3.887241e-03 0.000485 0.001191 True native_MD 7 12 59 - CB_AB42_2 N_AB42_7 1 0.000000e+00 2.747005e-06 ; 3.064785e-01 -2.747005e-06 1.940868e-03 3.428062e-03 0.000485 0.000060 True native_MD 7 12 60 + CB_AB42_2 N_AB42_7 1 0.000000e+00 2.746979e-06 ; 3.064782e-01 -2.746979e-06 1.940868e-03 3.428062e-03 0.000485 0.000060 True native_MD 7 12 60 CB_AB42_2 CA_AB42_7 1 1.094860e-03 3.845504e-06 ; 3.898813e-01 7.792988e-02 4.496855e-03 1.412888e-02 0.000485 0.001932 True native_MD 7 12 62 CB_AB42_2 CB_AB42_7 1 5.378689e-04 9.605066e-07 ; 3.483138e-01 7.529956e-02 4.180072e-03 1.714676e-02 0.000485 0.002332 True native_MD 7 12 63 - CB_AB42_2 CG_AB42_7 1 0.000000e+00 4.764017e-06 ; 3.208678e-01 -4.764017e-06 5.005570e-03 1.302506e-02 0.000485 0.000060 True native_MD 7 12 64 - CB_AB42_2 OD1_AB42_7 1 0.000000e+00 1.221141e-06 ; 2.864566e-01 -1.221141e-06 4.318610e-03 7.338158e-03 0.000485 0.000060 True native_MD 7 12 65 - CB_AB42_2 OD2_AB42_7 1 0.000000e+00 1.221141e-06 ; 2.864566e-01 -1.221141e-06 4.318610e-03 7.338158e-03 0.000485 0.000060 True native_MD 7 12 66 - CB_AB42_2 C_AB42_7 1 0.000000e+00 4.746372e-06 ; 3.207686e-01 -4.746372e-06 1.617492e-03 5.903508e-03 0.000485 0.000060 True native_MD 7 12 67 + CB_AB42_2 CG_AB42_7 1 0.000000e+00 4.763954e-06 ; 3.208674e-01 -4.763954e-06 5.005570e-03 1.302506e-02 0.000485 0.000060 True native_MD 7 12 64 + CB_AB42_2 OD1_AB42_7 1 0.000000e+00 1.221142e-06 ; 2.864566e-01 -1.221142e-06 4.318610e-03 7.338158e-03 0.000485 0.000060 True native_MD 7 12 65 + CB_AB42_2 OD2_AB42_7 1 0.000000e+00 1.221142e-06 ; 2.864566e-01 -1.221142e-06 4.318610e-03 7.338158e-03 0.000485 0.000060 True native_MD 7 12 66 + CB_AB42_2 C_AB42_7 1 0.000000e+00 4.746310e-06 ; 3.207682e-01 -4.746310e-06 1.617492e-03 5.903508e-03 0.000485 0.000060 True native_MD 7 12 67 CB_AB42_2 O_AB42_7 1 0.000000e+00 1.511204e-06 ; 2.915895e-01 -1.511204e-06 1.151356e-03 5.946799e-03 0.000485 0.001191 True native_MD 7 12 68 - CB_AB42_2 N_AB42_8 1 0.000000e+00 2.747315e-06 ; 3.064813e-01 -2.747315e-06 1.439447e-03 3.039681e-03 0.000485 0.000060 True native_MD 7 12 69 + CB_AB42_2 N_AB42_8 1 0.000000e+00 2.747290e-06 ; 3.064811e-01 -2.747290e-06 1.439447e-03 3.039681e-03 0.000485 0.000060 True native_MD 7 12 69 CB_AB42_2 CA_AB42_8 1 9.547569e-04 3.047108e-06 ; 3.837065e-01 7.478901e-02 4.416669e-03 1.524455e-02 0.000485 0.001932 True native_MD 7 12 71 CB_AB42_2 CB_AB42_8 1 6.876365e-04 1.478519e-06 ; 3.592620e-01 7.995230e-02 4.549869e-03 1.623780e-02 0.000485 0.002332 True native_MD 7 12 72 - CB_AB42_2 OG_AB42_8 1 0.000000e+00 2.092230e-06 ; 2.996027e-01 -2.092230e-06 3.523772e-03 1.089206e-02 0.000485 0.000060 True native_MD 7 12 73 - CB_AB42_2 C_AB42_8 1 0.000000e+00 4.733949e-06 ; 3.206985e-01 -4.733949e-06 2.371276e-03 4.028819e-03 0.000485 0.000060 True native_MD 7 12 74 + CB_AB42_2 OG_AB42_8 1 0.000000e+00 2.092206e-06 ; 2.996025e-01 -2.092206e-06 3.523772e-03 1.089206e-02 0.000485 0.000060 True native_MD 7 12 73 + CB_AB42_2 C_AB42_8 1 0.000000e+00 4.733888e-06 ; 3.206982e-01 -4.733888e-06 2.371276e-03 4.028819e-03 0.000485 0.000060 True native_MD 7 12 74 CB_AB42_2 O_AB42_8 1 3.036494e-04 2.901177e-07 ; 3.138342e-01 7.945307e-02 2.014171e-03 3.725099e-03 0.000485 0.001191 True native_MD 7 12 75 - CB_AB42_2 N_AB42_9 1 0.000000e+00 2.744745e-06 ; 3.064574e-01 -2.744745e-06 2.461310e-03 3.124390e-03 0.000485 0.000060 True native_MD 7 12 76 + CB_AB42_2 N_AB42_9 1 0.000000e+00 2.744719e-06 ; 3.064572e-01 -2.744719e-06 2.461310e-03 3.124390e-03 0.000485 0.000060 True native_MD 7 12 76 CB_AB42_2 CA_AB42_9 1 9.776161e-04 2.009648e-06 ; 3.565813e-01 1.188932e-01 6.748048e-03 7.509399e-03 0.000485 0.002332 True native_MD 7 12 78 - CB_AB42_2 C_AB42_9 1 0.000000e+00 4.714298e-06 ; 3.205874e-01 -4.714298e-06 5.508133e-03 3.007552e-03 0.000485 0.000060 True native_MD 7 12 79 + CB_AB42_2 C_AB42_9 1 0.000000e+00 4.714236e-06 ; 3.205870e-01 -4.714236e-06 5.508133e-03 3.007552e-03 0.000485 0.000060 True native_MD 7 12 79 CB_AB42_2 O_AB42_9 1 3.858557e-04 3.025716e-07 ; 3.036691e-01 1.230160e-01 4.425392e-03 2.222391e-03 0.000485 0.001191 True native_MD 7 12 80 - CB_AB42_2 N_AB42_10 1 0.000000e+00 2.739302e-06 ; 3.064067e-01 -2.739302e-06 2.311662e-03 9.902748e-04 0.000485 0.000060 True native_MD 7 12 81 + CB_AB42_2 N_AB42_10 1 0.000000e+00 2.739276e-06 ; 3.064065e-01 -2.739276e-06 2.311662e-03 9.902748e-04 0.000485 0.000060 True native_MD 7 12 81 CB_AB42_2 CA_AB42_10 1 1.991750e-03 7.751045e-06 ; 3.966014e-01 1.279527e-01 5.751197e-03 4.044145e-03 0.000485 0.001932 True native_MD 7 12 83 CB_AB42_2 CB_AB42_10 1 1.638725e-03 5.300550e-06 ; 3.845644e-01 1.266576e-01 4.844013e-03 4.272875e-03 0.000485 0.002332 True native_MD 7 12 84 CB_AB42_2 CG_AB42_10 1 1.330674e-03 2.944119e-06 ; 3.609779e-01 1.503585e-01 5.373320e-03 3.552229e-03 0.000485 0.005315 True native_MD 7 12 85 @@ -3659,52 +3659,52 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_2 CE1_AB42_10 1 8.640554e-04 1.192960e-06 ; 3.336932e-01 1.564578e-01 7.720139e-03 6.362460e-03 0.000485 0.005315 True native_MD 7 12 88 CB_AB42_2 CE2_AB42_10 1 8.640554e-04 1.192960e-06 ; 3.336932e-01 1.564578e-01 7.720139e-03 6.362460e-03 0.000485 0.005315 True native_MD 7 12 89 CB_AB42_2 CZ_AB42_10 1 1.217555e-03 2.189391e-06 ; 3.487165e-01 1.692754e-01 1.067379e-02 5.994214e-03 0.000485 0.005315 True native_MD 7 12 90 - CB_AB42_2 OH_AB42_10 1 0.000000e+00 2.068977e-06 ; 2.993238e-01 -2.068977e-06 1.016913e-02 6.341953e-03 0.000485 0.000060 True native_MD 7 12 91 - CB_AB42_2 C_AB42_10 1 0.000000e+00 4.718977e-06 ; 3.206139e-01 -4.718977e-06 2.889241e-03 1.378855e-03 0.000485 0.000060 True native_MD 7 12 92 + CB_AB42_2 OH_AB42_10 1 0.000000e+00 2.068954e-06 ; 2.993236e-01 -2.068954e-06 1.016913e-02 6.341953e-03 0.000485 0.000060 True native_MD 7 12 91 + CB_AB42_2 C_AB42_10 1 0.000000e+00 4.718916e-06 ; 3.206135e-01 -4.718916e-06 2.889241e-03 1.378855e-03 0.000485 0.000060 True native_MD 7 12 92 CB_AB42_2 O_AB42_10 1 4.872004e-04 4.622635e-07 ; 3.134707e-01 1.283706e-01 2.782746e-03 1.104473e-03 0.000485 0.001191 True native_MD 7 12 93 - CB_AB42_2 N_AB42_11 1 0.000000e+00 2.738870e-06 ; 3.064027e-01 -2.738870e-06 2.260334e-03 7.817489e-04 0.000485 0.000060 True native_MD 7 12 94 + CB_AB42_2 N_AB42_11 1 0.000000e+00 2.738845e-06 ; 3.064025e-01 -2.738845e-06 2.260334e-03 7.817489e-04 0.000485 0.000060 True native_MD 7 12 94 CB_AB42_2 CA_AB42_11 1 2.505726e-03 1.063786e-05 ; 4.023958e-01 1.475547e-01 7.115162e-03 2.782873e-03 0.000485 0.001932 True native_MD 7 12 96 CB_AB42_2 CB_AB42_11 1 1.409037e-03 3.045493e-06 ; 3.595747e-01 1.629774e-01 7.838751e-03 2.323100e-03 0.000485 0.002332 True native_MD 7 12 97 CB_AB42_2 CG_AB42_11 1 1.382229e-03 3.114402e-06 ; 3.620755e-01 1.533646e-01 8.865503e-03 3.516547e-03 0.000485 0.002332 True native_MD 7 12 98 - CB_AB42_2 CD_AB42_11 1 0.000000e+00 4.714649e-06 ; 3.205894e-01 -4.714649e-06 6.291813e-03 3.865627e-03 0.000485 0.000060 True native_MD 7 12 99 + CB_AB42_2 CD_AB42_11 1 0.000000e+00 4.714588e-06 ; 3.205890e-01 -4.714588e-06 6.291813e-03 3.865627e-03 0.000485 0.000060 True native_MD 7 12 99 CB_AB42_2 OE1_AB42_11 1 0.000000e+00 1.215690e-06 ; 2.863498e-01 -1.215690e-06 3.734565e-03 2.276595e-03 0.000485 0.000060 True native_MD 7 12 100 CB_AB42_2 OE2_AB42_11 1 0.000000e+00 1.215690e-06 ; 2.863498e-01 -1.215690e-06 3.734565e-03 2.276595e-03 0.000485 0.000060 True native_MD 7 12 101 - CB_AB42_2 C_AB42_11 1 0.000000e+00 4.713701e-06 ; 3.205840e-01 -4.713701e-06 3.523403e-03 8.965421e-04 0.000485 0.000060 True native_MD 7 12 102 + CB_AB42_2 C_AB42_11 1 0.000000e+00 4.713639e-06 ; 3.205836e-01 -4.713639e-06 3.523403e-03 8.965421e-04 0.000485 0.000060 True native_MD 7 12 102 CB_AB42_2 O_AB42_11 1 3.344193e-04 2.111806e-07 ; 2.929052e-01 1.323941e-01 3.138814e-03 7.397684e-04 0.000485 0.001191 True native_MD 7 12 103 CB_AB42_2 N_AB42_12 1 7.110413e-04 1.674109e-06 ; 3.647384e-01 7.549983e-02 2.063474e-03 2.154532e-04 0.000485 0.000060 True native_MD 7 12 104 CB_AB42_2 CA_AB42_12 1 2.448239e-03 9.499802e-06 ; 3.964089e-01 1.577368e-01 7.656752e-03 2.208101e-03 0.000485 0.001932 True native_MD 7 12 106 CB_AB42_2 CB_AB42_12 1 1.893875e-03 6.041105e-06 ; 3.836727e-01 1.484315e-01 1.091041e-02 4.156748e-03 0.000485 0.001932 True native_MD 7 12 107 CB_AB42_2 CG1_AB42_12 1 1.141513e-03 1.973410e-06 ; 3.464358e-01 1.650762e-01 8.346882e-03 3.365169e-03 0.000485 0.005315 True native_MD 7 12 108 CB_AB42_2 CG2_AB42_12 1 9.579490e-04 1.366952e-06 ; 3.355329e-01 1.678307e-01 9.064061e-03 3.454932e-03 0.000485 0.005315 True native_MD 7 12 109 - CB_AB42_2 C_AB42_12 1 0.000000e+00 4.715339e-06 ; 3.205933e-01 -4.715339e-06 2.957714e-03 6.774442e-04 0.000485 0.000060 True native_MD 7 12 110 + CB_AB42_2 C_AB42_12 1 0.000000e+00 4.715277e-06 ; 3.205929e-01 -4.715277e-06 2.957714e-03 6.774442e-04 0.000485 0.000060 True native_MD 7 12 110 CB_AB42_2 O_AB42_12 1 4.623713e-04 4.257243e-07 ; 3.119054e-01 1.255432e-01 2.556979e-03 7.253160e-04 0.000485 0.001191 True native_MD 7 12 111 - CB_AB42_2 N_AB42_13 1 0.000000e+00 2.740151e-06 ; 3.064147e-01 -2.740151e-06 1.460947e-03 4.492571e-04 0.000485 0.000060 True native_MD 7 12 112 + CB_AB42_2 N_AB42_13 1 0.000000e+00 2.740125e-06 ; 3.064144e-01 -2.740125e-06 1.460947e-03 4.492571e-04 0.000485 0.000060 True native_MD 7 12 112 CB_AB42_2 CA_AB42_13 1 2.941601e-03 1.453981e-05 ; 4.127266e-01 1.487814e-01 6.132355e-03 2.312023e-03 0.000485 0.001932 True native_MD 7 12 114 CB_AB42_2 CB_AB42_13 1 1.213301e-03 2.378366e-06 ; 3.537679e-01 1.547384e-01 6.401778e-03 2.437017e-03 0.000485 0.002332 True native_MD 7 12 115 - CB_AB42_2 CG_AB42_13 1 0.000000e+00 4.704383e-06 ; 3.205311e-01 -4.704383e-06 6.564091e-03 1.965565e-03 0.000485 0.000060 True native_MD 7 12 116 - CB_AB42_2 ND1_AB42_13 1 0.000000e+00 3.585826e-06 ; 3.133604e-01 -3.585826e-06 6.258555e-03 2.786724e-03 0.000485 0.000060 True native_MD 7 12 117 + CB_AB42_2 CG_AB42_13 1 0.000000e+00 4.704321e-06 ; 3.205308e-01 -4.704321e-06 6.564091e-03 1.965565e-03 0.000485 0.000060 True native_MD 7 12 116 + CB_AB42_2 ND1_AB42_13 1 0.000000e+00 3.585777e-06 ; 3.133600e-01 -3.585777e-06 6.258555e-03 2.786724e-03 0.000485 0.000060 True native_MD 7 12 117 CB_AB42_2 CD2_AB42_13 1 5.925828e-04 5.446343e-07 ; 3.118119e-01 1.611881e-01 7.430055e-03 2.549202e-03 0.000485 0.005315 True native_MD 7 12 118 CB_AB42_2 CE1_AB42_13 1 6.343223e-04 6.251179e-07 ; 3.154583e-01 1.609155e-01 7.369688e-03 4.349701e-03 0.000485 0.005315 True native_MD 7 12 119 - CB_AB42_2 NE2_AB42_13 1 0.000000e+00 3.584617e-06 ; 3.133516e-01 -3.584617e-06 7.528136e-03 3.720221e-03 0.000485 0.000060 True native_MD 7 12 120 - CB_AB42_2 C_AB42_13 1 0.000000e+00 4.717664e-06 ; 3.206064e-01 -4.717664e-06 2.422390e-03 6.341988e-04 0.000485 0.000060 True native_MD 7 12 121 + CB_AB42_2 NE2_AB42_13 1 0.000000e+00 3.584568e-06 ; 3.133512e-01 -3.584568e-06 7.528136e-03 3.720221e-03 0.000485 0.000060 True native_MD 7 12 120 + CB_AB42_2 C_AB42_13 1 0.000000e+00 4.717603e-06 ; 3.206061e-01 -4.717603e-06 2.422390e-03 6.341988e-04 0.000485 0.000060 True native_MD 7 12 121 CB_AB42_2 O_AB42_13 1 4.577647e-04 4.176330e-07 ; 3.114288e-01 1.254382e-01 2.548951e-03 6.634296e-04 0.000485 0.001191 True native_MD 7 12 122 - CB_AB42_2 N_AB42_14 1 0.000000e+00 2.738688e-06 ; 3.064010e-01 -2.738688e-06 1.888819e-03 3.435798e-04 0.000485 0.000060 True native_MD 7 12 123 + CB_AB42_2 N_AB42_14 1 0.000000e+00 2.738662e-06 ; 3.064008e-01 -2.738662e-06 1.888819e-03 3.435798e-04 0.000485 0.000060 True native_MD 7 12 123 CB_AB42_2 CA_AB42_14 1 2.840657e-03 1.156262e-05 ; 3.995823e-01 1.744701e-01 1.105640e-02 1.922725e-03 0.000485 0.001932 True native_MD 7 12 125 CB_AB42_2 CB_AB42_14 1 1.483560e-03 3.158533e-06 ; 3.586714e-01 1.742067e-01 1.096959e-02 2.148240e-03 0.000485 0.002332 True native_MD 7 12 126 - CB_AB42_2 CG_AB42_14 1 0.000000e+00 4.687256e-06 ; 3.204337e-01 -4.687256e-06 1.021987e-02 1.997638e-03 0.000485 0.000060 True native_MD 7 12 127 - CB_AB42_2 ND1_AB42_14 1 0.000000e+00 3.571518e-06 ; 3.132560e-01 -3.571518e-06 9.133691e-03 1.685593e-03 0.000485 0.000060 True native_MD 7 12 128 + CB_AB42_2 CG_AB42_14 1 0.000000e+00 4.687195e-06 ; 3.204334e-01 -4.687195e-06 1.021987e-02 1.997638e-03 0.000485 0.000060 True native_MD 7 12 127 + CB_AB42_2 ND1_AB42_14 1 0.000000e+00 3.571470e-06 ; 3.132557e-01 -3.571470e-06 9.133691e-03 1.685593e-03 0.000485 0.000060 True native_MD 7 12 128 CB_AB42_2 CD2_AB42_14 1 6.439590e-04 5.874132e-07 ; 3.114208e-01 1.764870e-01 1.174428e-02 2.149351e-03 0.000485 0.005315 True native_MD 7 12 129 CB_AB42_2 CE1_AB42_14 1 9.787045e-04 1.367501e-06 ; 3.343587e-01 1.751118e-01 1.127077e-02 2.954719e-03 0.000485 0.005315 True native_MD 7 12 130 - CB_AB42_2 NE2_AB42_14 1 0.000000e+00 3.566953e-06 ; 3.132226e-01 -3.566953e-06 1.160880e-02 2.892108e-03 0.000485 0.000060 True native_MD 7 12 131 + CB_AB42_2 NE2_AB42_14 1 0.000000e+00 3.566905e-06 ; 3.132223e-01 -3.566905e-06 1.160880e-02 2.892108e-03 0.000485 0.000060 True native_MD 7 12 131 CB_AB42_2 C_AB42_14 1 6.989650e-04 1.670601e-06 ; 3.656533e-01 7.311023e-02 5.462915e-03 6.126822e-04 0.000485 0.000060 True native_MD 7 12 132 CB_AB42_2 O_AB42_14 1 5.292835e-04 4.688489e-07 ; 3.099018e-01 1.493770e-01 5.217796e-03 5.154141e-04 0.000485 0.001191 True native_MD 7 12 133 CB_AB42_2 N_AB42_15 1 8.532441e-04 2.008535e-06 ; 3.647268e-01 9.061648e-02 3.266965e-03 2.169863e-04 0.000485 0.000060 True native_MD 7 12 134 CB_AB42_2 CA_AB42_15 1 2.730911e-03 1.082122e-05 ; 3.977970e-01 1.722974e-01 1.036038e-02 1.573540e-03 0.000485 0.001932 True native_MD 7 12 136 CB_AB42_2 CB_AB42_15 1 1.740109e-03 4.733208e-06 ; 3.736198e-01 1.599328e-01 7.156107e-03 1.701133e-03 0.000485 0.002332 True native_MD 7 12 137 CB_AB42_2 CG_AB42_15 1 1.757831e-03 4.727963e-06 ; 3.729204e-01 1.633881e-01 7.935675e-03 2.010391e-03 0.000485 0.002332 True native_MD 7 12 138 - CB_AB42_2 CD_AB42_15 1 0.000000e+00 4.704548e-06 ; 3.205321e-01 -4.704548e-06 6.939879e-03 2.376367e-03 0.000485 0.000060 True native_MD 7 12 139 + CB_AB42_2 CD_AB42_15 1 0.000000e+00 4.704487e-06 ; 3.205317e-01 -4.704487e-06 6.939879e-03 2.376367e-03 0.000485 0.000060 True native_MD 7 12 139 CB_AB42_2 OE1_AB42_15 1 5.387173e-04 5.525621e-07 ; 3.175680e-01 1.313048e-01 5.538163e-03 2.170237e-03 0.000485 0.001191 True native_MD 7 12 140 - CB_AB42_2 NE2_AB42_15 1 0.000000e+00 4.704931e-06 ; 3.205342e-01 -4.704931e-06 6.816069e-03 2.796744e-03 0.000485 0.000060 True native_MD 7 12 141 + CB_AB42_2 NE2_AB42_15 1 0.000000e+00 4.704922e-06 ; 3.205342e-01 -4.704922e-06 6.816069e-03 2.796744e-03 0.000485 0.000060 True native_MD 7 12 141 CB_AB42_2 C_AB42_15 1 8.223341e-04 1.861852e-06 ; 3.623677e-01 9.080116e-02 6.361639e-03 4.202006e-04 0.000485 0.000060 True native_MD 7 12 142 CB_AB42_2 O_AB42_15 1 5.307537e-04 4.611494e-07 ; 3.089049e-01 1.527160e-01 5.766100e-03 5.324450e-04 0.000485 0.001191 True native_MD 7 12 143 CB_AB42_2 N_AB42_16 1 6.683907e-04 1.109973e-06 ; 3.441230e-01 1.006209e-01 5.099293e-03 2.510577e-04 0.000485 0.000060 True native_MD 7 12 144 @@ -3713,7 +3713,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_2 CG_AB42_16 1 2.094203e-03 5.978371e-06 ; 3.766408e-01 1.833980e-01 1.444262e-02 1.501035e-03 0.000485 0.002332 True native_MD 7 12 148 CB_AB42_2 CD_AB42_16 1 1.795368e-03 4.376253e-06 ; 3.668525e-01 1.841386e-01 1.476627e-02 2.229430e-03 0.000485 0.002332 True native_MD 7 12 149 CB_AB42_2 CE_AB42_16 1 2.499285e-03 8.791787e-06 ; 3.899811e-01 1.776210e-01 1.291580e-02 2.479033e-03 0.000485 0.002332 True native_MD 7 12 150 - CB_AB42_2 NZ_AB42_16 1 0.000000e+00 2.733742e-06 ; 3.063549e-01 -2.733742e-06 5.134117e-03 1.785750e-03 0.000485 0.000060 True native_MD 7 12 151 + CB_AB42_2 NZ_AB42_16 1 0.000000e+00 2.733716e-06 ; 3.063546e-01 -2.733716e-06 5.134117e-03 1.785750e-03 0.000485 0.000060 True native_MD 7 12 151 CB_AB42_2 C_AB42_16 1 1.119618e-03 3.496404e-06 ; 3.823185e-01 8.963093e-02 6.294258e-03 4.305675e-04 0.000485 0.000060 True native_MD 7 12 152 CB_AB42_2 O_AB42_16 1 3.882504e-04 2.775342e-07 ; 2.990204e-01 1.357836e-01 3.473907e-03 6.157584e-04 0.000485 0.001191 True native_MD 7 12 153 CB_AB42_2 N_AB42_17 1 8.381919e-04 1.846935e-06 ; 3.607320e-01 9.509887e-02 4.383906e-03 2.546203e-04 0.000485 0.000060 True native_MD 7 12 154 @@ -3724,7 +3724,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_2 CD2_AB42_17 1 1.002711e-03 1.389949e-06 ; 3.339160e-01 1.808392e-01 1.337796e-02 2.362279e-03 0.000485 0.005315 True native_MD 7 12 160 CB_AB42_2 C_AB42_17 1 9.704586e-04 3.203380e-06 ; 3.858678e-01 7.349970e-02 5.543517e-03 6.145176e-04 0.000485 0.000060 True native_MD 7 12 161 CB_AB42_2 O_AB42_17 1 5.497860e-04 4.985213e-07 ; 3.111107e-01 1.515806e-01 5.573477e-03 6.098554e-04 0.000485 0.001191 True native_MD 7 12 162 - CB_AB42_2 N_AB42_18 1 0.000000e+00 2.736664e-06 ; 3.063822e-01 -2.736664e-06 2.675677e-03 3.927536e-04 0.000485 0.000060 True native_MD 7 12 163 + CB_AB42_2 N_AB42_18 1 0.000000e+00 2.736638e-06 ; 3.063819e-01 -2.736638e-06 2.675677e-03 3.927536e-04 0.000485 0.000060 True native_MD 7 12 163 CB_AB42_2 CA_AB42_18 1 3.333512e-03 1.594811e-05 ; 4.104887e-01 1.741946e-01 1.096561e-02 1.242662e-03 0.000485 0.001932 True native_MD 7 12 165 CB_AB42_2 CB_AB42_18 1 2.404807e-03 8.044941e-06 ; 3.867293e-01 1.797122e-01 1.489204e-02 2.224962e-03 0.000485 0.001932 True native_MD 7 12 166 CB_AB42_2 CG1_AB42_18 1 1.233393e-03 2.183184e-06 ; 3.478015e-01 1.742018e-01 1.096797e-02 1.804262e-03 0.000485 0.005315 True native_MD 7 12 167 @@ -3762,7 +3762,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_2 CA_AB42_22 1 2.512867e-03 9.041626e-06 ; 3.914529e-01 1.745953e-01 1.109790e-02 1.081156e-03 0.000485 0.001932 True native_MD 7 12 203 CB_AB42_2 CB_AB42_22 1 1.883176e-03 5.227680e-06 ; 3.748893e-01 1.695948e-01 9.555447e-03 7.637650e-04 0.000485 0.002332 True native_MD 7 12 204 CB_AB42_2 CG_AB42_22 1 1.513297e-03 3.282038e-06 ; 3.597796e-01 1.744394e-01 1.104622e-02 1.086928e-03 0.000485 0.002332 True native_MD 7 12 205 - CB_AB42_2 CD_AB42_22 1 0.000000e+00 4.694196e-06 ; 3.204732e-01 -4.694196e-06 7.904074e-03 1.150230e-03 0.000485 0.000060 True native_MD 7 12 206 + CB_AB42_2 CD_AB42_22 1 0.000000e+00 4.694135e-06 ; 3.204729e-01 -4.694135e-06 7.904074e-03 1.150230e-03 0.000485 0.000060 True native_MD 7 12 206 CB_AB42_2 OE1_AB42_22 1 0.000000e+00 1.213270e-06 ; 2.863023e-01 -1.213270e-06 4.326605e-03 8.806419e-04 0.000485 0.000060 True native_MD 7 12 207 CB_AB42_2 OE2_AB42_22 1 0.000000e+00 1.213270e-06 ; 2.863023e-01 -1.213270e-06 4.326605e-03 8.806419e-04 0.000485 0.000060 True native_MD 7 12 208 CB_AB42_2 C_AB42_22 1 8.460582e-04 2.175024e-06 ; 3.701212e-01 8.227663e-02 5.401166e-03 4.604322e-04 0.000485 0.000060 True native_MD 7 12 209 @@ -3770,7 +3770,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_2 N_AB42_23 1 7.975543e-04 2.024411e-06 ; 3.693372e-01 7.855284e-02 3.131405e-03 2.984106e-04 0.000485 0.000060 True native_MD 7 12 211 CB_AB42_2 CA_AB42_23 1 2.505435e-03 9.449029e-06 ; 3.945336e-01 1.660807e-01 8.601593e-03 8.438755e-04 0.000485 0.001932 True native_MD 7 12 213 CB_AB42_2 CB_AB42_23 1 1.276584e-03 2.575123e-06 ; 3.554606e-01 1.582125e-01 6.797025e-03 1.093147e-03 0.000485 0.002332 True native_MD 7 12 214 - CB_AB42_2 CG_AB42_23 1 0.000000e+00 4.708025e-06 ; 3.205518e-01 -4.708025e-06 4.906894e-03 1.079022e-03 0.000485 0.000060 True native_MD 7 12 215 + CB_AB42_2 CG_AB42_23 1 0.000000e+00 4.707963e-06 ; 3.205515e-01 -4.707963e-06 4.906894e-03 1.079022e-03 0.000485 0.000060 True native_MD 7 12 215 CB_AB42_2 OD1_AB42_23 1 0.000000e+00 1.214867e-06 ; 2.863337e-01 -1.214867e-06 2.666780e-03 5.327734e-04 0.000485 0.000060 True native_MD 7 12 216 CB_AB42_2 OD2_AB42_23 1 0.000000e+00 1.214867e-06 ; 2.863337e-01 -1.214867e-06 2.666780e-03 5.327734e-04 0.000485 0.000060 True native_MD 7 12 217 CB_AB42_2 C_AB42_23 1 9.743786e-04 1.973805e-06 ; 3.557100e-01 1.202517e-01 4.013914e-03 1.098240e-04 0.000485 0.000060 True native_MD 7 12 218 @@ -3897,28 +3897,28 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_2 C_AB42_42 1 1.284500e-03 4.434385e-06 ; 3.887615e-01 9.301966e-02 7.084588e-03 4.378941e-04 0.000485 0.000060 True native_MD 7 12 358 CB_AB42_2 O1_AB42_42 1 3.665235e-04 4.067499e-07 ; 3.217641e-01 8.256885e-02 3.413309e-03 2.884402e-04 0.000485 0.000060 True native_MD 7 12 359 CB_AB42_2 O2_AB42_42 1 3.665235e-04 4.067499e-07 ; 3.217641e-01 8.256885e-02 3.413309e-03 2.884402e-04 0.000485 0.000060 True native_MD 7 12 360 - C_AB42_2 CB_AB42_3 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 18 - C_AB42_2 CG_AB42_3 1 0.000000e+00 6.331746e-06 ; 3.285655e-01 -6.331746e-06 9.998465e-01 9.994968e-01 0.000485 0.000060 True native_MD 4 13 19 - C_AB42_2 CD_AB42_3 1 0.000000e+00 2.333047e-06 ; 3.023351e-01 -2.333047e-06 2.151473e-01 1.129668e-01 0.000485 0.000060 True native_MD 5 13 20 - C_AB42_2 OE1_AB42_3 1 0.000000e+00 6.280136e-07 ; 2.710144e-01 -6.280136e-07 7.749991e-02 1.567192e-02 0.000485 0.000060 True native_MD 6 13 21 - C_AB42_2 OE2_AB42_3 1 0.000000e+00 6.280136e-07 ; 2.710144e-01 -6.280136e-07 7.749991e-02 1.567192e-02 0.000485 0.000060 True native_MD 6 13 22 - C_AB42_2 O_AB42_3 1 0.000000e+00 7.413071e-07 ; 2.747862e-01 -7.413071e-07 9.649817e-01 8.614247e-01 0.000485 0.000060 True native_MD 4 13 24 - C_AB42_2 N_AB42_4 1 0.000000e+00 1.505902e-06 ; 2.915041e-01 -1.505902e-06 9.793002e-01 9.778102e-01 0.000485 0.000060 True native_MD 4 13 25 - C_AB42_2 CA_AB42_4 1 0.000000e+00 1.339586e-05 ; 3.497378e-01 -1.339586e-05 8.735578e-01 8.999136e-01 0.000485 0.000060 True native_MD 5 13 27 - C_AB42_2 CB_AB42_4 1 0.000000e+00 6.999063e-06 ; 3.313205e-01 -6.999063e-06 1.674919e-01 2.724976e-01 0.000485 0.000060 True native_MD 6 13 28 + C_AB42_2 CB_AB42_3 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 18 + C_AB42_2 CG_AB42_3 1 0.000000e+00 6.331640e-06 ; 3.285650e-01 -6.331640e-06 9.998465e-01 9.994968e-01 0.000485 0.000060 True native_MD 4 13 19 + C_AB42_2 CD_AB42_3 1 0.000000e+00 2.333005e-06 ; 3.023347e-01 -2.333005e-06 2.151473e-01 1.129668e-01 0.000485 0.000060 True native_MD 5 13 20 + C_AB42_2 OE1_AB42_3 1 0.000000e+00 6.280109e-07 ; 2.710143e-01 -6.280109e-07 7.749991e-02 1.567192e-02 0.000485 0.000060 True native_MD 6 13 21 + C_AB42_2 OE2_AB42_3 1 0.000000e+00 6.280109e-07 ; 2.710143e-01 -6.280109e-07 7.749991e-02 1.567192e-02 0.000485 0.000060 True native_MD 6 13 22 + C_AB42_2 O_AB42_3 1 0.000000e+00 7.413037e-07 ; 2.747861e-01 -7.413037e-07 9.649817e-01 8.614247e-01 0.000485 0.000060 True native_MD 4 13 24 + C_AB42_2 N_AB42_4 1 0.000000e+00 1.505880e-06 ; 2.915038e-01 -1.505880e-06 9.793002e-01 9.778102e-01 0.000485 0.000060 True native_MD 4 13 25 + C_AB42_2 CA_AB42_4 1 0.000000e+00 1.339579e-05 ; 3.497376e-01 -1.339579e-05 8.735578e-01 8.999136e-01 0.000485 0.000060 True native_MD 5 13 27 + C_AB42_2 CB_AB42_4 1 0.000000e+00 6.998946e-06 ; 3.313201e-01 -6.998946e-06 1.674919e-01 2.724976e-01 0.000485 0.000060 True native_MD 6 13 28 C_AB42_2 CG_AB42_4 1 2.543637e-03 1.026654e-05 ; 3.990202e-01 1.575527e-01 1.692939e-01 8.406967e-02 0.000485 0.003309 True native_MD 7 13 29 C_AB42_2 CD1_AB42_4 1 1.315231e-03 2.764913e-06 ; 3.579150e-01 1.564094e-01 1.989963e-01 1.022594e-01 0.000485 0.003309 True native_MD 7 13 30 C_AB42_2 CD2_AB42_4 1 1.315231e-03 2.764913e-06 ; 3.579150e-01 1.564094e-01 1.989963e-01 1.022594e-01 0.000485 0.003309 True native_MD 7 13 31 C_AB42_2 CE1_AB42_4 1 1.379344e-03 2.852893e-06 ; 3.569457e-01 1.667246e-01 1.894387e-01 7.149299e-02 0.000485 0.003309 True native_MD 7 13 32 C_AB42_2 CE2_AB42_4 1 1.379344e-03 2.852893e-06 ; 3.569457e-01 1.667246e-01 1.894387e-01 7.149299e-02 0.000485 0.003309 True native_MD 7 13 33 C_AB42_2 CZ_AB42_4 1 2.331383e-03 7.713575e-06 ; 3.860175e-01 1.761618e-01 1.549652e-01 4.409373e-02 0.000485 0.003309 True native_MD 7 13 34 - C_AB42_2 C_AB42_4 1 0.000000e+00 2.951231e-06 ; 3.083154e-01 -2.951231e-06 1.085898e-01 2.443033e-01 0.000485 0.000060 True native_MD 6 13 35 + C_AB42_2 C_AB42_4 1 0.000000e+00 2.951179e-06 ; 3.083150e-01 -2.951179e-06 1.085898e-01 2.443033e-01 0.000485 0.000060 True native_MD 6 13 35 C_AB42_2 O_AB42_4 1 5.696417e-04 9.150423e-07 ; 3.422209e-01 8.865484e-02 5.553419e-02 1.418828e-01 0.000485 0.002166 True native_MD 7 13 36 C_AB42_2 N_AB42_5 1 5.494154e-04 9.385385e-07 ; 3.457471e-01 8.040620e-02 5.765964e-02 1.885562e-01 0.000485 0.002166 True native_MD 7 13 37 - C_AB42_2 CA_AB42_5 1 0.000000e+00 1.468642e-05 ; 3.524287e-01 -1.468642e-05 7.113491e-02 1.963700e-01 0.000485 0.001339 True native_MD 7 13 39 - C_AB42_2 CB_AB42_5 1 0.000000e+00 6.832722e-06 ; 3.306571e-01 -6.832722e-06 6.096399e-02 1.397079e-01 0.000485 0.000060 True native_MD 7 13 40 - C_AB42_2 CG_AB42_5 1 0.000000e+00 6.695404e-06 ; 3.300981e-01 -6.695404e-06 5.590125e-02 1.129656e-01 0.000485 0.000060 True native_MD 7 13 41 - C_AB42_2 CD_AB42_5 1 0.000000e+00 6.417829e-06 ; 3.289354e-01 -6.417829e-06 4.288933e-02 5.613030e-02 0.000485 0.000060 True native_MD 7 13 42 + C_AB42_2 CA_AB42_5 1 0.000000e+00 1.468634e-05 ; 3.524286e-01 -1.468634e-05 7.113491e-02 1.963700e-01 0.000485 0.001339 True native_MD 7 13 39 + C_AB42_2 CB_AB42_5 1 0.000000e+00 6.832607e-06 ; 3.306566e-01 -6.832607e-06 6.096399e-02 1.397079e-01 0.000485 0.000060 True native_MD 7 13 40 + C_AB42_2 CG_AB42_5 1 0.000000e+00 6.695292e-06 ; 3.300977e-01 -6.695292e-06 5.590125e-02 1.129656e-01 0.000485 0.000060 True native_MD 7 13 41 + C_AB42_2 CD_AB42_5 1 0.000000e+00 6.417721e-06 ; 3.289350e-01 -6.417721e-06 4.288933e-02 5.613030e-02 0.000485 0.000060 True native_MD 7 13 42 C_AB42_2 NE_AB42_5 1 9.668306e-04 1.853516e-06 ; 3.524582e-01 1.260795e-01 1.809328e-02 1.508294e-02 0.000485 0.002166 True native_MD 7 13 43 C_AB42_2 CZ_AB42_5 1 1.785165e-03 5.584875e-06 ; 3.824334e-01 1.426538e-01 2.459224e-02 1.248387e-02 0.000485 0.002166 True native_MD 7 13 44 C_AB42_2 NH1_AB42_5 1 8.298258e-04 1.201015e-06 ; 3.363258e-01 1.433394e-01 1.554093e-02 7.729023e-03 0.000485 0.002166 True native_MD 7 13 45 @@ -3926,18 +3926,18 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_2 C_AB42_5 1 1.576845e-03 5.625366e-06 ; 3.908952e-01 1.105012e-01 1.514877e-02 2.012821e-02 0.000485 0.002166 True native_MD 7 13 47 C_AB42_2 O_AB42_5 1 4.280468e-04 4.837644e-07 ; 3.227432e-01 9.468661e-02 1.112229e-02 2.372305e-02 0.000485 0.002166 True native_MD 7 13 48 C_AB42_2 N_AB42_6 1 7.630388e-04 1.729055e-06 ; 3.624185e-01 8.418303e-02 9.643831e-03 2.816646e-02 0.000485 0.002166 True native_MD 7 13 49 - C_AB42_2 CA_AB42_6 1 0.000000e+00 1.341933e-05 ; 3.497888e-01 -1.341933e-05 1.247488e-02 4.062885e-02 0.000485 0.001339 True native_MD 7 13 51 - C_AB42_2 CB_AB42_6 1 0.000000e+00 6.558047e-06 ; 3.295284e-01 -6.558047e-06 7.637078e-03 4.301553e-02 0.000485 0.000060 True native_MD 7 13 52 - C_AB42_2 CG_AB42_6 1 0.000000e+00 2.649683e-06 ; 3.055586e-01 -2.649683e-06 2.068368e-03 2.173797e-02 0.000485 0.002166 True native_MD 7 13 53 - C_AB42_2 ND1_AB42_6 1 0.000000e+00 2.028659e-06 ; 2.988334e-01 -2.028659e-06 2.048588e-03 2.741551e-02 0.000485 0.002166 True native_MD 7 13 54 - C_AB42_2 CD2_AB42_6 1 0.000000e+00 2.663154e-06 ; 3.056877e-01 -2.663154e-06 3.688491e-03 2.854211e-02 0.000485 0.003309 True native_MD 7 13 55 - C_AB42_2 CE1_AB42_6 1 0.000000e+00 2.661523e-06 ; 3.056721e-01 -2.661523e-06 4.039347e-03 2.826525e-02 0.000485 0.003309 True native_MD 7 13 56 - C_AB42_2 NE2_AB42_6 1 0.000000e+00 2.013842e-06 ; 2.986509e-01 -2.013842e-06 4.334357e-03 2.221224e-02 0.000485 0.002166 True native_MD 7 13 57 + C_AB42_2 CA_AB42_6 1 0.000000e+00 1.341926e-05 ; 3.497886e-01 -1.341926e-05 1.247488e-02 4.062885e-02 0.000485 0.001339 True native_MD 7 13 51 + C_AB42_2 CB_AB42_6 1 0.000000e+00 6.557937e-06 ; 3.295280e-01 -6.557937e-06 7.637078e-03 4.301553e-02 0.000485 0.000060 True native_MD 7 13 52 + C_AB42_2 CG_AB42_6 1 0.000000e+00 2.649636e-06 ; 3.055581e-01 -2.649636e-06 2.068368e-03 2.173797e-02 0.000485 0.002166 True native_MD 7 13 53 + C_AB42_2 ND1_AB42_6 1 0.000000e+00 2.028622e-06 ; 2.988329e-01 -2.028622e-06 2.048588e-03 2.741551e-02 0.000485 0.002166 True native_MD 7 13 54 + C_AB42_2 CD2_AB42_6 1 0.000000e+00 2.663107e-06 ; 3.056873e-01 -2.663107e-06 3.688491e-03 2.854211e-02 0.000485 0.003309 True native_MD 7 13 55 + C_AB42_2 CE1_AB42_6 1 0.000000e+00 2.661476e-06 ; 3.056717e-01 -2.661476e-06 4.039347e-03 2.826525e-02 0.000485 0.003309 True native_MD 7 13 56 + C_AB42_2 NE2_AB42_6 1 0.000000e+00 2.013805e-06 ; 2.986504e-01 -2.013805e-06 4.334357e-03 2.221224e-02 0.000485 0.002166 True native_MD 7 13 57 C_AB42_2 C_AB42_6 1 2.241997e-03 1.189392e-05 ; 4.176204e-01 1.056538e-01 1.410038e-03 1.681999e-03 0.000485 0.002166 True native_MD 7 13 58 C_AB42_2 O_AB42_6 1 4.243037e-04 4.840229e-07 ; 3.232448e-01 9.298816e-02 1.384347e-03 3.106673e-03 0.000485 0.002166 True native_MD 7 13 59 C_AB42_2 N_AB42_7 1 9.793371e-04 2.467676e-06 ; 3.688864e-01 9.716643e-02 1.093763e-03 1.654668e-03 0.000485 0.002166 True native_MD 7 13 60 C_AB42_2 CA_AB42_7 1 1.718045e-03 9.325388e-06 ; 4.192168e-01 7.913019e-02 1.424377e-03 2.991120e-03 0.000485 0.001339 True native_MD 7 13 62 - C_AB42_2 CB_AB42_7 1 0.000000e+00 6.355145e-06 ; 3.286665e-01 -6.355145e-06 2.220472e-03 5.565031e-03 0.000485 0.000060 True native_MD 7 13 63 + C_AB42_2 CB_AB42_7 1 0.000000e+00 6.355039e-06 ; 3.286661e-01 -6.355039e-06 2.220472e-03 5.565031e-03 0.000485 0.000060 True native_MD 7 13 63 C_AB42_2 CG_AB42_7 1 1.173084e-03 3.445406e-06 ; 3.784297e-01 9.985218e-02 1.292152e-03 2.361257e-03 0.000485 0.002166 True native_MD 7 13 64 C_AB42_2 OD1_AB42_7 1 4.542155e-04 5.681843e-07 ; 3.282499e-01 9.077678e-02 9.033977e-04 1.847619e-03 0.000485 0.002166 True native_MD 7 13 65 C_AB42_2 OD2_AB42_7 1 4.542155e-04 5.681843e-07 ; 3.282499e-01 9.077678e-02 9.033977e-04 1.847619e-03 0.000485 0.002166 True native_MD 7 13 66 @@ -3945,14 +3945,14 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_2 O_AB42_7 1 3.124227e-04 3.349302e-07 ; 3.199155e-01 7.285696e-02 5.284222e-04 8.482914e-04 0.000485 0.002166 True native_MD 7 13 68 C_AB42_2 N_AB42_8 1 5.477956e-04 9.412100e-07 ; 3.460812e-01 7.970592e-02 6.486267e-04 2.065481e-04 0.000485 0.002166 True native_MD 7 13 69 C_AB42_2 CA_AB42_8 1 2.228676e-03 1.351307e-05 ; 4.270229e-01 9.189246e-02 2.361616e-03 3.384941e-03 0.000485 0.001339 True native_MD 7 13 71 - C_AB42_2 CB_AB42_8 1 0.000000e+00 6.357613e-06 ; 3.286771e-01 -6.357613e-06 3.614388e-03 7.348597e-03 0.000485 0.000060 True native_MD 7 13 72 + C_AB42_2 CB_AB42_8 1 0.000000e+00 6.357507e-06 ; 3.286767e-01 -6.357507e-06 3.614388e-03 7.348597e-03 0.000485 0.000060 True native_MD 7 13 72 C_AB42_2 OG_AB42_8 1 5.714150e-04 8.274089e-07 ; 3.363526e-01 9.865591e-02 2.536202e-03 4.803647e-03 0.000485 0.002166 True native_MD 7 13 73 C_AB42_2 N_AB42_9 1 4.254494e-04 5.505545e-07 ; 3.301100e-01 8.219311e-02 6.987470e-04 4.229159e-04 0.000485 0.002166 True native_MD 7 13 76 C_AB42_2 CA_AB42_9 1 1.129969e-03 2.872282e-06 ; 3.694254e-01 1.111337e-01 3.208802e-03 3.059226e-03 0.000485 0.001584 True native_MD 7 13 78 C_AB42_2 C_AB42_9 1 1.805590e-03 7.791589e-06 ; 4.034916e-01 1.046049e-01 1.366466e-03 6.277601e-04 0.000485 0.002166 True native_MD 7 13 79 C_AB42_2 O_AB42_9 1 6.132213e-04 8.933060e-07 ; 3.366902e-01 1.052384e-01 1.392617e-03 4.228052e-04 0.000485 0.002166 True native_MD 7 13 80 C_AB42_2 CA_AB42_10 1 1.824751e-03 7.948211e-06 ; 4.041206e-01 1.047317e-01 1.371658e-03 6.884369e-04 0.000485 0.001339 True native_MD 7 13 83 - C_AB42_2 CB_AB42_10 1 0.000000e+00 6.330570e-06 ; 3.285604e-01 -6.330570e-06 1.507186e-03 9.717430e-04 0.000485 0.000060 True native_MD 7 13 84 + C_AB42_2 CB_AB42_10 1 0.000000e+00 6.330463e-06 ; 3.285600e-01 -6.330463e-06 1.507186e-03 9.717430e-04 0.000485 0.000060 True native_MD 7 13 84 C_AB42_2 CG_AB42_10 1 1.249421e-03 4.207743e-06 ; 3.871596e-01 9.274881e-02 9.583163e-04 4.929493e-04 0.000485 0.003309 True native_MD 7 13 85 C_AB42_2 CD1_AB42_10 1 1.065895e-03 2.290466e-06 ; 3.592264e-01 1.240066e-01 2.442061e-03 1.167509e-03 0.000485 0.003309 True native_MD 7 13 86 C_AB42_2 CD2_AB42_10 1 1.065895e-03 2.290466e-06 ; 3.592264e-01 1.240066e-01 2.442061e-03 1.167509e-03 0.000485 0.003309 True native_MD 7 13 87 @@ -3962,18 +3962,18 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_2 OH_AB42_10 1 7.959884e-04 1.079500e-06 ; 3.326999e-01 1.467340e-01 7.984360e-03 3.587338e-03 0.000485 0.002166 True native_MD 7 13 91 C_AB42_2 CA_AB42_11 1 3.442456e-03 3.080866e-05 ; 4.556528e-01 9.616212e-02 1.061379e-03 3.194745e-04 0.000485 0.001339 True native_MD 7 13 96 C_AB42_2 CB_AB42_11 1 1.293998e-03 5.540580e-06 ; 4.029677e-01 7.555301e-02 2.036619e-03 2.123110e-04 0.000485 0.000060 True native_MD 7 13 97 - C_AB42_2 CG_AB42_11 1 0.000000e+00 6.319595e-06 ; 3.285129e-01 -6.319595e-06 2.676784e-03 4.087525e-04 0.000485 0.000060 True native_MD 7 13 98 + C_AB42_2 CG_AB42_11 1 0.000000e+00 6.319489e-06 ; 3.285124e-01 -6.319489e-06 2.676784e-03 4.087525e-04 0.000485 0.000060 True native_MD 7 13 98 C_AB42_2 CD_AB42_11 1 2.312555e-03 9.858001e-06 ; 4.026702e-01 1.356236e-01 3.457306e-03 5.543260e-04 0.000485 0.002166 True native_MD 7 13 99 C_AB42_2 OE1_AB42_11 1 5.320888e-04 6.213308e-07 ; 3.245063e-01 1.139162e-01 1.805569e-03 4.924188e-04 0.000485 0.002166 True native_MD 7 13 100 C_AB42_2 OE2_AB42_11 1 5.320888e-04 6.213308e-07 ; 3.245063e-01 1.139162e-01 1.805569e-03 4.924188e-04 0.000485 0.002166 True native_MD 7 13 101 C_AB42_2 CA_AB42_12 1 3.810685e-03 3.012678e-05 ; 4.463322e-01 1.205018e-01 2.198899e-03 3.071583e-04 0.000485 0.001339 True native_MD 7 13 106 - C_AB42_2 CB_AB42_12 1 0.000000e+00 1.301018e-05 ; 3.488874e-01 -1.301018e-05 4.189880e-03 9.961375e-04 0.000485 0.000060 True native_MD 7 13 107 - C_AB42_2 CG1_AB42_12 1 0.000000e+00 4.713749e-06 ; 3.205843e-01 -4.713749e-06 3.641118e-03 1.024444e-03 0.000485 0.000060 True native_MD 7 13 108 - C_AB42_2 CG2_AB42_12 1 0.000000e+00 4.713229e-06 ; 3.205813e-01 -4.713229e-06 3.699323e-03 9.726514e-04 0.000485 0.000060 True native_MD 7 13 109 + C_AB42_2 CB_AB42_12 1 0.000000e+00 1.301011e-05 ; 3.488872e-01 -1.301011e-05 4.189880e-03 9.961375e-04 0.000485 0.000060 True native_MD 7 13 107 + C_AB42_2 CG1_AB42_12 1 0.000000e+00 4.713687e-06 ; 3.205839e-01 -4.713687e-06 3.641118e-03 1.024444e-03 0.000485 0.000060 True native_MD 7 13 108 + C_AB42_2 CG2_AB42_12 1 0.000000e+00 4.713168e-06 ; 3.205810e-01 -4.713168e-06 3.699323e-03 9.726514e-04 0.000485 0.000060 True native_MD 7 13 109 C_AB42_2 C_AB42_12 1 1.577786e-03 7.966249e-06 ; 4.141913e-01 7.812362e-02 6.186289e-04 4.583511e-05 0.000485 0.002166 True native_MD 7 13 110 C_AB42_2 O_AB42_12 1 5.143265e-04 8.100976e-07 ; 3.411011e-01 8.163576e-02 6.871891e-04 9.299917e-05 0.000485 0.002166 True native_MD 7 13 111 C_AB42_2 CA_AB42_13 1 2.689351e-03 1.527438e-05 ; 4.223956e-01 1.183781e-01 2.063499e-03 2.969101e-04 0.000485 0.001339 True native_MD 7 13 114 - C_AB42_2 CB_AB42_13 1 0.000000e+00 6.319916e-06 ; 3.285143e-01 -6.319916e-06 2.851057e-03 6.335954e-04 0.000485 0.000060 True native_MD 7 13 115 + C_AB42_2 CB_AB42_13 1 0.000000e+00 6.319810e-06 ; 3.285138e-01 -6.319810e-06 2.851057e-03 6.335954e-04 0.000485 0.000060 True native_MD 7 13 115 C_AB42_2 CG_AB42_13 1 1.178987e-03 2.847779e-06 ; 3.662966e-01 1.220259e-01 2.301512e-03 3.355325e-04 0.000485 0.002166 True native_MD 7 13 116 C_AB42_2 ND1_AB42_13 1 9.928405e-04 1.866217e-06 ; 3.513019e-01 1.320495e-01 3.106612e-03 6.895905e-04 0.000485 0.002166 True native_MD 7 13 117 C_AB42_2 CD2_AB42_13 1 1.030544e-03 1.904309e-06 ; 3.503040e-01 1.394234e-01 3.873672e-03 1.045045e-03 0.000485 0.003309 True native_MD 7 13 118 @@ -4186,16 +4186,16 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_2 O2_AB42_42 1 6.342356e-04 8.233301e-07 ; 3.302838e-01 1.221426e-01 2.309565e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 13 360 O_AB42_2 O_AB42_2 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 14 O_AB42_2 H_AB42_3 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 16 - O_AB42_2 CB_AB42_3 1 0.000000e+00 2.015638e-06 ; 2.986731e-01 -2.015638e-06 9.999977e-01 9.999889e-01 0.000485 0.000060 True native_MD 4 14 18 - O_AB42_2 CG_AB42_3 1 0.000000e+00 2.552258e-06 ; 3.046062e-01 -2.552258e-06 3.172883e-01 5.835050e-01 0.000485 0.000060 True native_MD 5 14 19 - O_AB42_2 CD_AB42_3 1 0.000000e+00 8.243742e-07 ; 2.772290e-01 -8.243742e-07 3.060240e-02 2.749617e-02 0.000485 0.000060 True native_MD 6 14 20 + O_AB42_2 CB_AB42_3 1 0.000000e+00 2.015631e-06 ; 2.986730e-01 -2.015631e-06 9.999977e-01 9.999889e-01 0.000485 0.000060 True native_MD 4 14 18 + O_AB42_2 CG_AB42_3 1 0.000000e+00 2.552248e-06 ; 3.046061e-01 -2.552248e-06 3.172883e-01 5.835050e-01 0.000485 0.000060 True native_MD 5 14 19 + O_AB42_2 CD_AB42_3 1 0.000000e+00 8.243704e-07 ; 2.772289e-01 -8.243704e-07 3.060240e-02 2.749617e-02 0.000485 0.000060 True native_MD 6 14 20 O_AB42_2 OE1_AB42_3 1 0.000000e+00 1.470572e-06 ; 2.909280e-01 -1.470572e-06 5.306093e-02 3.344226e-02 0.000485 0.000060 True native_MD 7 14 21 O_AB42_2 OE2_AB42_3 1 0.000000e+00 1.470572e-06 ; 2.909280e-01 -1.470572e-06 5.306093e-02 3.344226e-02 0.000485 0.000060 True native_MD 7 14 22 - O_AB42_2 C_AB42_3 1 0.000000e+00 8.228631e-07 ; 2.771866e-01 -8.228631e-07 9.998049e-01 9.948714e-01 0.000485 0.000060 True native_MD 4 14 23 + O_AB42_2 C_AB42_3 1 0.000000e+00 8.228593e-07 ; 2.771865e-01 -8.228593e-07 9.998049e-01 9.948714e-01 0.000485 0.000060 True native_MD 4 14 23 O_AB42_2 O_AB42_3 1 0.000000e+00 1.454332e-06 ; 2.906589e-01 -1.454332e-06 8.750195e-01 8.445743e-01 0.000485 0.000060 True native_MD 5 14 24 O_AB42_2 N_AB42_4 1 0.000000e+00 1.491005e-06 ; 2.912627e-01 -1.491005e-06 9.152296e-01 9.092327e-01 0.000485 0.000060 True native_MD 5 14 25 - O_AB42_2 H_AB42_4 1 0.000000e+00 1.609628e-08 ; 1.997049e-01 -1.609628e-08 1.644642e-01 2.018495e-01 0.000485 0.000060 True native_MD 6 14 26 - O_AB42_2 CA_AB42_4 1 0.000000e+00 4.192138e-06 ; 3.174665e-01 -4.192138e-06 6.278102e-01 6.371141e-01 0.000485 0.000060 True native_MD 6 14 27 + O_AB42_2 H_AB42_4 1 0.000000e+00 1.609653e-08 ; 1.997052e-01 -1.609653e-08 1.644642e-01 2.018495e-01 0.000485 0.000060 True native_MD 6 14 26 + O_AB42_2 CA_AB42_4 1 0.000000e+00 4.192172e-06 ; 3.174668e-01 -4.192172e-06 6.278102e-01 6.371141e-01 0.000485 0.000060 True native_MD 6 14 27 O_AB42_2 CB_AB42_4 1 1.304876e-03 3.970444e-06 ; 3.806668e-01 1.072110e-01 1.485096e-01 1.196837e-01 0.000485 0.001191 True native_MD 7 14 28 O_AB42_2 CG_AB42_4 1 1.052999e-03 1.833433e-06 ; 3.468483e-01 1.511927e-01 1.698692e-01 1.020434e-01 0.000485 0.003309 True native_MD 7 14 29 O_AB42_2 CD1_AB42_4 1 4.063783e-04 2.632101e-07 ; 2.941454e-01 1.568551e-01 2.000074e-01 1.014202e-01 0.000485 0.003309 True native_MD 7 14 30 @@ -4219,19 +4219,19 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 O_AB42_2 O_AB42_5 1 0.000000e+00 1.545570e-06 ; 2.921364e-01 -1.545570e-06 2.838613e-02 5.876596e-02 0.000485 0.000060 True native_MD 7 14 48 O_AB42_2 N_AB42_6 1 0.000000e+00 1.601971e-06 ; 2.930103e-01 -1.601971e-06 1.716579e-02 8.514664e-02 0.000485 0.002166 True native_MD 7 14 49 O_AB42_2 H_AB42_6 1 5.281464e-06 7.129462e-11 ; 1.543063e-01 9.781194e-02 7.664136e-03 3.653712e-02 0.000485 0.005316 True native_MD 7 14 50 - O_AB42_2 CA_AB42_6 1 0.000000e+00 4.382559e-06 ; 3.186439e-01 -4.382559e-06 1.376039e-02 6.891019e-02 0.000485 0.001339 True native_MD 7 14 51 - O_AB42_2 CB_AB42_6 1 0.000000e+00 2.127656e-06 ; 3.000222e-01 -2.127656e-06 9.076364e-03 6.464136e-02 0.000485 0.001191 True native_MD 7 14 52 - O_AB42_2 CG_AB42_6 1 0.000000e+00 8.664307e-07 ; 2.783809e-01 -8.664307e-07 4.200966e-03 5.195251e-02 0.000485 0.002166 True native_MD 7 14 53 - O_AB42_2 ND1_AB42_6 1 0.000000e+00 6.545544e-07 ; 2.719509e-01 -6.545544e-07 2.961657e-03 4.258236e-02 0.000485 0.002166 True native_MD 7 14 54 - O_AB42_2 CD2_AB42_6 1 0.000000e+00 8.596640e-07 ; 2.781991e-01 -8.596640e-07 4.999485e-03 4.456834e-02 0.000485 0.003309 True native_MD 7 14 55 - O_AB42_2 CE1_AB42_6 1 0.000000e+00 8.578319e-07 ; 2.781496e-01 -8.578319e-07 4.313266e-03 4.166656e-02 0.000485 0.003309 True native_MD 7 14 56 - O_AB42_2 NE2_AB42_6 1 0.000000e+00 6.496347e-07 ; 2.717800e-01 -6.496347e-07 4.623656e-03 3.643056e-02 0.000485 0.002166 True native_MD 7 14 57 + O_AB42_2 CA_AB42_6 1 0.000000e+00 4.382594e-06 ; 3.186441e-01 -4.382594e-06 1.376039e-02 6.891019e-02 0.000485 0.001339 True native_MD 7 14 51 + O_AB42_2 CB_AB42_6 1 0.000000e+00 2.127648e-06 ; 3.000222e-01 -2.127648e-06 9.076364e-03 6.464136e-02 0.000485 0.001191 True native_MD 7 14 52 + O_AB42_2 CG_AB42_6 1 0.000000e+00 8.664267e-07 ; 2.783808e-01 -8.664267e-07 4.200966e-03 5.195251e-02 0.000485 0.002166 True native_MD 7 14 53 + O_AB42_2 ND1_AB42_6 1 0.000000e+00 6.545510e-07 ; 2.719508e-01 -6.545510e-07 2.961657e-03 4.258236e-02 0.000485 0.002166 True native_MD 7 14 54 + O_AB42_2 CD2_AB42_6 1 0.000000e+00 8.596601e-07 ; 2.781990e-01 -8.596601e-07 4.999485e-03 4.456834e-02 0.000485 0.003309 True native_MD 7 14 55 + O_AB42_2 CE1_AB42_6 1 0.000000e+00 8.578279e-07 ; 2.781495e-01 -8.578279e-07 4.313266e-03 4.166656e-02 0.000485 0.003309 True native_MD 7 14 56 + O_AB42_2 NE2_AB42_6 1 0.000000e+00 6.496314e-07 ; 2.717798e-01 -6.496314e-07 4.623656e-03 3.643056e-02 0.000485 0.002166 True native_MD 7 14 57 O_AB42_2 C_AB42_6 1 5.134783e-04 7.435284e-07 ; 3.363535e-01 8.865162e-02 3.804415e-03 9.720732e-03 0.000485 0.002166 True native_MD 7 14 58 O_AB42_2 O_AB42_6 1 0.000000e+00 1.516084e-06 ; 2.916679e-01 -1.516084e-06 3.155675e-03 1.387825e-02 0.000485 0.000060 True native_MD 7 14 59 O_AB42_2 N_AB42_7 1 1.205371e-04 4.602244e-08 ; 2.693445e-01 7.892452e-02 2.834460e-03 9.689639e-03 0.000485 0.002166 True native_MD 7 14 60 O_AB42_2 H_AB42_7 1 1.458740e-05 4.945730e-10 ; 1.799045e-01 1.075636e-01 1.492973e-03 2.971968e-03 0.000485 0.005316 True native_MD 7 14 61 O_AB42_2 CA_AB42_7 1 2.862828e-04 2.908979e-07 ; 3.170717e-01 7.043524e-02 2.068768e-03 5.635545e-03 0.000485 0.001339 True native_MD 7 14 62 - O_AB42_2 CB_AB42_7 1 0.000000e+00 2.023941e-06 ; 2.987754e-01 -2.023941e-06 1.519376e-03 5.629474e-03 0.000485 0.001191 True native_MD 7 14 63 + O_AB42_2 CB_AB42_7 1 0.000000e+00 2.023933e-06 ; 2.987753e-01 -2.023933e-06 1.519376e-03 5.629474e-03 0.000485 0.001191 True native_MD 7 14 63 O_AB42_2 CG_AB42_7 1 6.299573e-04 1.187181e-06 ; 3.514533e-01 8.356902e-02 1.006427e-03 2.993989e-03 0.000485 0.002166 True native_MD 7 14 64 O_AB42_2 OD1_AB42_7 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 65 O_AB42_2 OD2_AB42_7 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 66 @@ -4239,8 +4239,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 O_AB42_2 O_AB42_7 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 68 O_AB42_2 N_AB42_8 1 1.392807e-04 5.258752e-08 ; 2.688429e-01 9.222295e-02 1.026144e-03 2.356190e-03 0.000485 0.002166 True native_MD 7 14 69 O_AB42_2 H_AB42_8 1 5.797444e-06 1.198234e-10 ; 1.656599e-01 7.012478e-02 4.869360e-04 3.291459e-04 0.000485 0.005316 True native_MD 7 14 70 - O_AB42_2 CA_AB42_8 1 0.000000e+00 4.167340e-06 ; 3.173096e-01 -4.167340e-06 1.865778e-03 5.199149e-03 0.000485 0.001339 True native_MD 7 14 71 - O_AB42_2 CB_AB42_8 1 0.000000e+00 2.027838e-06 ; 2.988233e-01 -2.027838e-06 2.513810e-03 8.557410e-03 0.000485 0.001191 True native_MD 7 14 72 + O_AB42_2 CA_AB42_8 1 0.000000e+00 4.167373e-06 ; 3.173098e-01 -4.167373e-06 1.865778e-03 5.199149e-03 0.000485 0.001339 True native_MD 7 14 71 + O_AB42_2 CB_AB42_8 1 0.000000e+00 2.027831e-06 ; 2.988232e-01 -2.027831e-06 2.513810e-03 8.557410e-03 0.000485 0.001191 True native_MD 7 14 72 O_AB42_2 OG_AB42_8 1 6.099308e-05 1.262042e-08 ; 2.432011e-01 7.369320e-02 1.458627e-03 5.831429e-03 0.000485 0.002166 True native_MD 7 14 73 O_AB42_2 O_AB42_8 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 75 O_AB42_2 N_AB42_9 1 1.246710e-04 4.768874e-08 ; 2.694274e-01 8.148080e-02 6.840097e-04 1.720786e-03 0.000485 0.002166 True native_MD 7 14 76 @@ -4518,60 +4518,60 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 O_AB42_2 C_AB42_42 1 8.005231e-04 1.092768e-06 ; 3.330625e-01 1.466086e-01 4.802938e-03 5.949180e-05 0.000485 0.002166 True native_MD 7 14 358 O_AB42_2 O1_AB42_42 1 4.787409e-04 3.949016e-07 ; 3.062420e-01 1.450949e-01 4.590224e-03 5.183836e-05 0.000485 0.000060 True native_MD 7 14 359 O_AB42_2 O2_AB42_42 1 4.787409e-04 3.949016e-07 ; 3.062420e-01 1.450949e-01 4.590224e-03 5.183836e-05 0.000485 0.000060 True native_MD 7 14 360 - N_AB42_3 CB_AB42_3 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 18 - N_AB42_3 CG_AB42_3 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 19 - N_AB42_3 CD_AB42_3 1 0.000000e+00 1.697802e-06 ; 2.944324e-01 -1.697802e-06 6.467908e-01 7.725431e-01 0.000485 0.000060 True native_MD 4 15 20 + N_AB42_3 CB_AB42_3 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 18 + N_AB42_3 CG_AB42_3 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 19 + N_AB42_3 CD_AB42_3 1 0.000000e+00 1.697778e-06 ; 2.944320e-01 -1.697778e-06 6.467908e-01 7.725431e-01 0.000485 0.000060 True native_MD 4 15 20 N_AB42_3 OE1_AB42_3 1 0.000000e+00 1.370684e-06 ; 2.892276e-01 -1.370684e-06 2.690576e-01 1.828468e-01 0.000485 0.000060 True native_MD 5 15 21 N_AB42_3 OE2_AB42_3 1 0.000000e+00 1.370684e-06 ; 2.892276e-01 -1.370684e-06 2.690576e-01 1.828468e-01 0.000485 0.000060 True native_MD 5 15 22 - N_AB42_3 CA_AB42_4 1 0.000000e+00 7.574377e-06 ; 3.335088e-01 -7.574377e-06 9.999999e-01 9.999184e-01 0.000485 0.000060 True native_MD 4 15 27 - N_AB42_3 CB_AB42_4 1 0.000000e+00 4.583632e-06 ; 3.198373e-01 -4.583632e-06 1.955010e-01 4.423808e-01 0.000485 0.000060 True native_MD 5 15 28 - N_AB42_3 CG_AB42_4 1 0.000000e+00 1.461669e-06 ; 2.907808e-01 -1.461669e-06 7.819572e-02 4.737637e-02 0.000485 0.000060 True native_MD 6 15 29 + N_AB42_3 CA_AB42_4 1 0.000000e+00 7.574366e-06 ; 3.335087e-01 -7.574366e-06 9.999999e-01 9.999184e-01 0.000485 0.000060 True native_MD 4 15 27 + N_AB42_3 CB_AB42_4 1 0.000000e+00 4.583572e-06 ; 3.198370e-01 -4.583572e-06 1.955010e-01 4.423808e-01 0.000485 0.000060 True native_MD 5 15 28 + N_AB42_3 CG_AB42_4 1 0.000000e+00 1.461648e-06 ; 2.907805e-01 -1.461648e-06 7.819572e-02 4.737637e-02 0.000485 0.000060 True native_MD 6 15 29 N_AB42_3 CD1_AB42_4 1 1.527285e-03 4.063733e-06 ; 3.722496e-01 1.435010e-01 1.127676e-01 8.527378e-02 0.000485 0.003309 True native_MD 7 15 30 N_AB42_3 CD2_AB42_4 1 1.527285e-03 4.063733e-06 ; 3.722496e-01 1.435010e-01 1.127676e-01 8.527378e-02 0.000485 0.003309 True native_MD 7 15 31 N_AB42_3 CE1_AB42_4 1 1.848520e-03 4.945716e-06 ; 3.725926e-01 1.727266e-01 5.187622e-02 1.635928e-02 0.000485 0.003309 True native_MD 7 15 32 N_AB42_3 CE2_AB42_4 1 1.848520e-03 4.945716e-06 ; 3.725926e-01 1.727266e-01 5.187622e-02 1.635928e-02 0.000485 0.003309 True native_MD 7 15 33 N_AB42_3 CZ_AB42_4 1 2.588194e-03 8.619496e-06 ; 3.864389e-01 1.942906e-01 2.000846e-02 2.569447e-03 0.000485 0.003309 True native_MD 7 15 34 - N_AB42_3 C_AB42_4 1 0.000000e+00 1.569988e-06 ; 2.925183e-01 -1.569988e-06 8.114228e-02 1.221458e-01 0.000485 0.000060 True native_MD 5 15 35 + N_AB42_3 C_AB42_4 1 0.000000e+00 1.569966e-06 ; 2.925180e-01 -1.569966e-06 8.114228e-02 1.221458e-01 0.000485 0.000060 True native_MD 5 15 35 N_AB42_3 O_AB42_4 1 0.000000e+00 1.654960e-06 ; 2.938060e-01 -1.654960e-06 8.520750e-02 1.885143e-01 0.000485 0.000060 True native_MD 6 15 36 - N_AB42_3 N_AB42_5 1 0.000000e+00 9.291799e-07 ; 2.800077e-01 -9.291799e-07 3.355372e-02 9.511697e-02 0.000485 0.000060 True native_MD 6 15 37 + N_AB42_3 N_AB42_5 1 0.000000e+00 9.291702e-07 ; 2.800075e-01 -9.291702e-07 3.355372e-02 9.511697e-02 0.000485 0.000060 True native_MD 6 15 37 N_AB42_3 CA_AB42_5 1 3.356869e-03 3.267882e-05 ; 4.620851e-01 8.620702e-02 2.505348e-02 4.257035e-02 0.000485 0.001339 True native_MD 7 15 39 - N_AB42_3 CB_AB42_5 1 0.000000e+00 3.671145e-06 ; 3.139750e-01 -3.671145e-06 1.242150e-02 1.107859e-02 0.000485 0.000060 True native_MD 7 15 40 - N_AB42_3 CG_AB42_5 1 0.000000e+00 3.677527e-06 ; 3.140205e-01 -3.677527e-06 1.665778e-02 1.705082e-02 0.000485 0.000060 True native_MD 7 15 41 - N_AB42_3 CD_AB42_5 1 0.000000e+00 3.661581e-06 ; 3.139068e-01 -3.661581e-06 6.439040e-03 2.494386e-03 0.000485 0.000060 True native_MD 7 15 42 + N_AB42_3 CB_AB42_5 1 0.000000e+00 3.671097e-06 ; 3.139747e-01 -3.671097e-06 1.242150e-02 1.107859e-02 0.000485 0.000060 True native_MD 7 15 40 + N_AB42_3 CG_AB42_5 1 0.000000e+00 3.677478e-06 ; 3.140201e-01 -3.677478e-06 1.665778e-02 1.705082e-02 0.000485 0.000060 True native_MD 7 15 41 + N_AB42_3 CD_AB42_5 1 0.000000e+00 3.661533e-06 ; 3.139065e-01 -3.661533e-06 6.439040e-03 2.494386e-03 0.000485 0.000060 True native_MD 7 15 42 N_AB42_3 NE_AB42_5 1 7.400615e-04 1.254507e-06 ; 3.453034e-01 1.091446e-01 1.565309e-03 2.577376e-04 0.000485 0.002166 True native_MD 7 15 43 N_AB42_3 CZ_AB42_5 1 2.013879e-03 6.751687e-06 ; 3.868683e-01 1.501739e-01 5.343713e-03 5.785945e-04 0.000485 0.002166 True native_MD 7 15 44 - N_AB42_3 NH1_AB42_5 1 0.000000e+00 8.700227e-07 ; 2.784769e-01 -8.700227e-07 6.899301e-03 8.770335e-04 0.000485 0.000060 True native_MD 7 15 45 - N_AB42_3 NH2_AB42_5 1 0.000000e+00 8.700227e-07 ; 2.784769e-01 -8.700227e-07 6.899301e-03 8.770335e-04 0.000485 0.000060 True native_MD 7 15 46 + N_AB42_3 NH1_AB42_5 1 0.000000e+00 8.700136e-07 ; 2.784767e-01 -8.700136e-07 6.899301e-03 8.770335e-04 0.000485 0.000060 True native_MD 7 15 45 + N_AB42_3 NH2_AB42_5 1 0.000000e+00 8.700136e-07 ; 2.784767e-01 -8.700136e-07 6.899301e-03 8.770335e-04 0.000485 0.000060 True native_MD 7 15 46 N_AB42_3 C_AB42_5 1 1.130388e-03 4.199961e-06 ; 3.935527e-01 7.605892e-02 5.815618e-04 5.615946e-04 0.000485 0.002166 True native_MD 7 15 47 N_AB42_3 O_AB42_5 1 3.639857e-04 3.649795e-07 ; 3.163715e-01 9.074867e-02 4.110481e-03 9.864055e-03 0.000485 0.002166 True native_MD 7 15 48 N_AB42_3 N_AB42_6 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 4.324107e-04 4.195268e-04 0.000485 0.000060 True native_MD 7 15 49 N_AB42_3 CA_AB42_6 1 2.486006e-03 1.809140e-05 ; 4.402118e-01 8.540285e-02 2.569413e-03 4.472235e-03 0.000485 0.001339 True native_MD 7 15 51 - N_AB42_3 CB_AB42_6 1 0.000000e+00 3.699860e-06 ; 3.141790e-01 -3.699860e-06 4.782476e-03 1.125089e-02 0.000485 0.000060 True native_MD 7 15 52 + N_AB42_3 CB_AB42_6 1 0.000000e+00 3.699811e-06 ; 3.141786e-01 -3.699811e-06 4.782476e-03 1.125089e-02 0.000485 0.000060 True native_MD 7 15 52 N_AB42_3 CG_AB42_6 1 8.735464e-04 1.950738e-06 ; 3.615365e-01 9.779419e-02 1.114505e-03 1.196809e-03 0.000485 0.002166 True native_MD 7 15 53 - N_AB42_3 ND1_AB42_6 1 0.000000e+00 1.155500e-06 ; 2.851407e-01 -1.155500e-06 1.400222e-03 7.707153e-03 0.000485 0.002166 True native_MD 7 15 54 + N_AB42_3 ND1_AB42_6 1 0.000000e+00 1.155483e-06 ; 2.851403e-01 -1.155483e-06 1.400222e-03 7.707153e-03 0.000485 0.002166 True native_MD 7 15 54 N_AB42_3 CD2_AB42_6 1 7.047866e-04 1.245352e-06 ; 3.477008e-01 9.971562e-02 2.728418e-03 7.649020e-03 0.000485 0.003309 True native_MD 7 15 55 N_AB42_3 CE1_AB42_6 1 4.539209e-04 5.185284e-07 ; 3.233196e-01 9.934086e-02 2.521247e-03 7.147942e-03 0.000485 0.003309 True native_MD 7 15 56 N_AB42_3 NE2_AB42_6 1 8.844320e-04 1.950153e-06 ; 3.607730e-01 1.002768e-01 2.614628e-03 4.717763e-03 0.000485 0.002166 True native_MD 7 15 57 N_AB42_3 O_AB42_6 1 8.417743e-04 2.172337e-06 ; 3.703582e-01 8.154625e-02 1.008276e-03 3.186713e-03 0.000485 0.002166 True native_MD 7 15 59 N_AB42_3 N_AB42_7 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 3.132016e-05 1.522537e-05 0.000485 0.000060 True native_MD 7 15 60 N_AB42_3 CA_AB42_7 1 2.526095e-03 2.172762e-05 ; 4.526478e-01 7.342214e-02 5.374357e-04 5.454094e-04 0.000485 0.001339 True native_MD 7 15 62 - N_AB42_3 CB_AB42_7 1 0.000000e+00 3.678182e-06 ; 3.140252e-01 -3.678182e-06 1.469219e-03 2.040684e-03 0.000485 0.000060 True native_MD 7 15 63 + N_AB42_3 CB_AB42_7 1 0.000000e+00 3.678134e-06 ; 3.140248e-01 -3.678134e-06 1.469219e-03 2.040684e-03 0.000485 0.000060 True native_MD 7 15 63 N_AB42_3 CG_AB42_7 1 3.558711e-04 3.200743e-07 ; 3.106893e-01 9.891782e-02 1.152618e-03 1.079522e-03 0.000485 0.002166 True native_MD 7 15 64 N_AB42_3 OD1_AB42_7 1 8.870544e-05 1.970059e-08 ; 2.460867e-01 9.985302e-02 1.426335e-03 2.606516e-03 0.000485 0.002166 True native_MD 7 15 65 N_AB42_3 OD2_AB42_7 1 8.870544e-05 1.970059e-08 ; 2.460867e-01 9.985302e-02 1.426335e-03 2.606516e-03 0.000485 0.002166 True native_MD 7 15 66 N_AB42_3 O_AB42_7 1 1.276063e-04 5.123069e-08 ; 2.716083e-01 7.946098e-02 6.438896e-04 2.917892e-04 0.000485 0.002166 True native_MD 7 15 68 N_AB42_3 N_AB42_8 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.971752e-04 3.695174e-05 0.000485 0.000060 True native_MD 7 15 69 N_AB42_3 CA_AB42_8 1 2.138454e-03 9.503607e-06 ; 4.054756e-01 1.202961e-01 2.185403e-03 5.108900e-04 0.000485 0.001339 True native_MD 7 15 71 - N_AB42_3 CB_AB42_8 1 0.000000e+00 3.671272e-06 ; 3.139759e-01 -3.671272e-06 3.107474e-03 1.799095e-03 0.000485 0.000060 True native_MD 7 15 72 + N_AB42_3 CB_AB42_8 1 0.000000e+00 3.671224e-06 ; 3.139756e-01 -3.671224e-06 3.107474e-03 1.799095e-03 0.000485 0.000060 True native_MD 7 15 72 N_AB42_3 OG_AB42_8 1 2.509041e-04 1.319660e-07 ; 2.841138e-01 1.192596e-01 2.118658e-03 1.363485e-03 0.000485 0.002166 True native_MD 7 15 73 N_AB42_3 O_AB42_8 1 2.147410e-04 1.216533e-07 ; 2.876525e-01 9.476462e-02 1.017906e-03 5.144902e-04 0.000485 0.002166 True native_MD 7 15 75 - N_AB42_3 N_AB42_9 1 0.000000e+00 8.749286e-07 ; 2.786074e-01 -8.749286e-07 4.933639e-04 7.591684e-05 0.000485 0.000060 True native_MD 7 15 76 + N_AB42_3 N_AB42_9 1 0.000000e+00 8.749194e-07 ; 2.786072e-01 -8.749194e-07 4.933639e-04 7.591684e-05 0.000485 0.000060 True native_MD 7 15 76 N_AB42_3 CA_AB42_9 1 1.661720e-03 5.145426e-06 ; 3.817777e-01 1.341635e-01 3.309497e-03 1.403523e-03 0.000485 0.001584 True native_MD 7 15 78 N_AB42_3 C_AB42_9 1 5.940513e-04 8.198108e-07 ; 3.336683e-01 1.076154e-01 1.495287e-03 1.139728e-04 0.000485 0.002166 True native_MD 7 15 79 N_AB42_3 O_AB42_9 1 1.676947e-04 5.953704e-08 ; 2.660999e-01 1.180841e-01 2.045423e-03 3.912511e-04 0.000485 0.002166 True native_MD 7 15 80 N_AB42_3 N_AB42_10 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 3.448961e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 15 81 N_AB42_3 CA_AB42_10 1 8.590420e-04 1.710774e-06 ; 3.547015e-01 1.078391e-01 1.505330e-03 1.347209e-04 0.000485 0.001339 True native_MD 7 15 83 - N_AB42_3 CB_AB42_10 1 0.000000e+00 3.675025e-06 ; 3.140027e-01 -3.675025e-06 8.703969e-04 5.830288e-04 0.000485 0.000060 True native_MD 7 15 84 + N_AB42_3 CB_AB42_10 1 0.000000e+00 3.674977e-06 ; 3.140023e-01 -3.674977e-06 8.703969e-04 5.830288e-04 0.000485 0.000060 True native_MD 7 15 84 N_AB42_3 CG_AB42_10 1 9.618543e-04 3.036003e-06 ; 3.830000e-01 7.618271e-02 5.837203e-04 2.565603e-04 0.000485 0.003309 True native_MD 7 15 85 N_AB42_3 CD1_AB42_10 1 5.783489e-04 7.167983e-07 ; 3.277438e-01 1.166602e-01 1.960097e-03 5.784306e-04 0.000485 0.003309 True native_MD 7 15 86 N_AB42_3 CD2_AB42_10 1 5.783489e-04 7.167983e-07 ; 3.277438e-01 1.166602e-01 1.960097e-03 5.784306e-04 0.000485 0.003309 True native_MD 7 15 87 @@ -4614,7 +4614,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_3 O_AB42_14 1 1.603088e-04 5.447407e-08 ; 2.641631e-01 1.179410e-01 2.036685e-03 5.003431e-05 0.000485 0.002166 True native_MD 7 15 133 N_AB42_3 N_AB42_15 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 4.777633e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 15 134 N_AB42_3 CA_AB42_15 1 1.612859e-03 4.673572e-06 ; 3.775798e-01 1.391502e-01 3.842131e-03 1.532970e-05 0.000485 0.001339 True native_MD 7 15 136 - N_AB42_3 CB_AB42_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 137 + N_AB42_3 CB_AB42_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 137 N_AB42_3 CG_AB42_15 1 1.991728e-03 7.274919e-06 ; 3.924338e-01 1.363238e-01 3.530523e-03 5.045389e-05 0.000485 0.000060 True native_MD 7 15 138 N_AB42_3 CD_AB42_15 1 7.396268e-04 1.090841e-06 ; 3.373842e-01 1.253730e-01 2.543983e-03 2.162903e-04 0.000485 0.002166 True native_MD 7 15 139 N_AB42_3 OE1_AB42_15 1 1.213334e-04 2.876056e-08 ; 2.487728e-01 1.279685e-01 2.749461e-03 4.690036e-04 0.000485 0.002166 True native_MD 7 15 140 @@ -4814,7 +4814,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 H_AB42_3 H_AB42_3 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 16 16 H_AB42_3 OE1_AB42_3 1 4.323066e-06 4.425628e-11 ; 1.473546e-01 1.055720e-01 9.085022e-02 3.856929e-03 0.000485 0.000060 True native_MD 6 16 21 H_AB42_3 OE2_AB42_3 1 4.323066e-06 4.425628e-11 ; 1.473546e-01 1.055720e-01 9.085022e-02 3.856929e-03 0.000485 0.000060 True native_MD 6 16 22 - H_AB42_3 O_AB42_3 1 0.000000e+00 1.126186e-08 ; 1.938485e-01 -1.126186e-08 5.019434e-01 2.277561e-01 0.000485 0.000060 True native_MD 4 16 24 + H_AB42_3 O_AB42_3 1 0.000000e+00 1.126203e-08 ; 1.938488e-01 -1.126203e-08 5.019434e-01 2.277561e-01 0.000485 0.000060 True native_MD 4 16 24 H_AB42_3 H_AB42_4 1 0.000000e+00 1.654155e-08 ; 2.001596e-01 -1.654155e-08 2.367163e-01 6.151791e-01 0.000485 0.000060 True native_MD 5 16 26 H_AB42_3 O_AB42_4 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 16 36 H_AB42_3 H_AB42_5 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 16 38 @@ -4907,19 +4907,19 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 H_AB42_3 H_AB42_42 1 3.024219e-05 2.506403e-09 ; 2.088044e-01 9.122534e-02 9.156063e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 16 355 H_AB42_3 O1_AB42_42 1 4.241194e-06 4.511301e-11 ; 1.482981e-01 9.968147e-02 1.179262e-03 0.000000e+00 0.000485 0.005316 True native_MD 7 16 359 H_AB42_3 O2_AB42_42 1 4.241194e-06 4.511301e-11 ; 1.482981e-01 9.968147e-02 1.179262e-03 0.000000e+00 0.000485 0.005316 True native_MD 7 16 360 - CA_AB42_3 OE1_AB42_3 1 0.000000e+00 3.320172e-06 ; 3.113568e-01 -3.320172e-06 9.908758e-01 9.783728e-01 0.000485 0.000060 True native_MD 4 17 21 - CA_AB42_3 OE2_AB42_3 1 0.000000e+00 3.320172e-06 ; 3.113568e-01 -3.320172e-06 9.908758e-01 9.783728e-01 0.000485 0.000060 True native_MD 4 17 22 - CA_AB42_3 CB_AB42_4 1 0.000000e+00 3.181364e-05 ; 3.758773e-01 -3.181364e-05 1.000000e+00 9.999995e-01 0.000485 0.000060 True native_MD 4 17 28 - CA_AB42_3 CG_AB42_4 1 0.000000e+00 1.363034e-05 ; 3.502439e-01 -1.363034e-05 7.010753e-01 7.453968e-01 0.000485 0.000060 True native_MD 5 17 29 - CA_AB42_3 CD1_AB42_4 1 0.000000e+00 1.255379e-05 ; 3.478507e-01 -1.255379e-05 5.158827e-01 4.777218e-01 0.000485 0.000060 True native_MD 6 17 30 - CA_AB42_3 CD2_AB42_4 1 0.000000e+00 1.255379e-05 ; 3.478507e-01 -1.255379e-05 5.158827e-01 4.777218e-01 0.000485 0.000060 True native_MD 6 17 31 + CA_AB42_3 OE1_AB42_3 1 0.000000e+00 3.320199e-06 ; 3.113570e-01 -3.320199e-06 9.908758e-01 9.783728e-01 0.000485 0.000060 True native_MD 4 17 21 + CA_AB42_3 OE2_AB42_3 1 0.000000e+00 3.320199e-06 ; 3.113570e-01 -3.320199e-06 9.908758e-01 9.783728e-01 0.000485 0.000060 True native_MD 4 17 22 + CA_AB42_3 CB_AB42_4 1 0.000000e+00 3.181350e-05 ; 3.758772e-01 -3.181350e-05 1.000000e+00 9.999995e-01 0.000485 0.000060 True native_MD 4 17 28 + CA_AB42_3 CG_AB42_4 1 0.000000e+00 1.363027e-05 ; 3.502437e-01 -1.363027e-05 7.010753e-01 7.453968e-01 0.000485 0.000060 True native_MD 5 17 29 + CA_AB42_3 CD1_AB42_4 1 0.000000e+00 1.255373e-05 ; 3.478506e-01 -1.255373e-05 5.158827e-01 4.777218e-01 0.000485 0.000060 True native_MD 6 17 30 + CA_AB42_3 CD2_AB42_4 1 0.000000e+00 1.255373e-05 ; 3.478506e-01 -1.255373e-05 5.158827e-01 4.777218e-01 0.000485 0.000060 True native_MD 6 17 31 CA_AB42_3 CE1_AB42_4 1 4.094101e-03 3.359225e-05 ; 4.491038e-01 1.247435e-01 2.627989e-01 2.034382e-01 0.000485 0.001933 True native_MD 7 17 32 CA_AB42_3 CE2_AB42_4 1 4.094101e-03 3.359225e-05 ; 4.491038e-01 1.247435e-01 2.627989e-01 2.034382e-01 0.000485 0.001933 True native_MD 7 17 33 CA_AB42_3 CZ_AB42_4 1 6.010468e-03 6.613694e-05 ; 4.716168e-01 1.365565e-01 1.013842e-01 5.511243e-02 0.000485 0.001933 True native_MD 7 17 34 - CA_AB42_3 C_AB42_4 1 0.000000e+00 1.305183e-05 ; 3.489803e-01 -1.305183e-05 9.999971e-01 9.999945e-01 0.000485 0.000060 True native_MD 4 17 35 - CA_AB42_3 O_AB42_4 1 0.000000e+00 3.698834e-06 ; 3.141717e-01 -3.698834e-06 6.030770e-01 4.936125e-01 0.000485 0.000060 True native_MD 5 17 36 - CA_AB42_3 N_AB42_5 1 0.000000e+00 7.170245e-06 ; 3.319883e-01 -7.170245e-06 6.256653e-01 5.722330e-01 0.000485 0.000060 True native_MD 5 17 37 - CA_AB42_3 CA_AB42_5 1 0.000000e+00 6.011956e-05 ; 3.963507e-01 -6.011956e-05 6.421462e-01 5.592216e-01 0.000485 0.000060 True native_MD 6 17 39 + CA_AB42_3 C_AB42_4 1 0.000000e+00 1.305176e-05 ; 3.489802e-01 -1.305176e-05 9.999971e-01 9.999945e-01 0.000485 0.000060 True native_MD 4 17 35 + CA_AB42_3 O_AB42_4 1 0.000000e+00 3.698864e-06 ; 3.141719e-01 -3.698864e-06 6.030770e-01 4.936125e-01 0.000485 0.000060 True native_MD 5 17 36 + CA_AB42_3 N_AB42_5 1 0.000000e+00 7.170234e-06 ; 3.319883e-01 -7.170234e-06 6.256653e-01 5.722330e-01 0.000485 0.000060 True native_MD 5 17 37 + CA_AB42_3 CA_AB42_5 1 0.000000e+00 6.012000e-05 ; 3.963510e-01 -6.012000e-05 6.421462e-01 5.592216e-01 0.000485 0.000060 True native_MD 6 17 39 CA_AB42_3 CB_AB42_5 1 6.888045e-03 1.156662e-04 ; 5.060403e-01 1.025476e-01 2.813718e-01 2.235706e-01 0.000485 0.001021 True native_MD 7 17 40 CA_AB42_3 CG_AB42_5 1 4.656254e-03 4.669368e-05 ; 4.643765e-01 1.160794e-01 3.462263e-01 1.834955e-01 0.000485 0.001021 True native_MD 7 17 41 CA_AB42_3 CD_AB42_5 1 6.689148e-03 8.354584e-05 ; 4.816804e-01 1.338927e-01 2.060286e-01 6.407374e-02 0.000485 0.001021 True native_MD 7 17 42 @@ -4929,22 +4929,22 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CA_AB42_3 NH2_AB42_5 1 1.390513e-03 3.224732e-06 ; 3.638199e-01 1.498983e-01 4.614584e-02 1.165729e-02 0.000485 0.001339 True native_MD 7 17 46 CA_AB42_3 C_AB42_5 1 4.021218e-03 4.984014e-05 ; 4.810648e-01 8.111031e-02 3.110876e-02 6.156821e-02 0.000485 0.001339 True native_MD 7 17 47 CA_AB42_3 O_AB42_5 1 1.444331e-03 6.633120e-06 ; 4.077011e-01 7.862405e-02 2.495630e-02 5.320803e-02 0.000485 0.001339 True native_MD 7 17 48 - CA_AB42_3 N_AB42_6 1 0.000000e+00 8.121133e-06 ; 3.354515e-01 -8.121133e-06 3.649552e-02 1.085930e-01 0.000485 0.001339 True native_MD 7 17 49 - CA_AB42_3 CA_AB42_6 1 0.000000e+00 7.219813e-05 ; 4.024440e-01 -7.219813e-05 4.917851e-02 1.505028e-01 0.000485 0.000883 True native_MD 7 17 51 - CA_AB42_3 CB_AB42_6 1 0.000000e+00 3.473386e-05 ; 3.786382e-01 -3.473386e-05 3.595180e-02 1.277428e-01 0.000485 0.001021 True native_MD 7 17 52 - CA_AB42_3 CG_AB42_6 1 0.000000e+00 1.372665e-05 ; 3.504495e-01 -1.372665e-05 1.250093e-02 6.420138e-02 0.000485 0.001339 True native_MD 7 17 53 - CA_AB42_3 ND1_AB42_6 1 0.000000e+00 1.038044e-05 ; 3.423836e-01 -1.038044e-05 1.131850e-02 5.591375e-02 0.000485 0.001339 True native_MD 7 17 54 + CA_AB42_3 N_AB42_6 1 0.000000e+00 8.121120e-06 ; 3.354514e-01 -8.121120e-06 3.649552e-02 1.085930e-01 0.000485 0.001339 True native_MD 7 17 49 + CA_AB42_3 CA_AB42_6 1 0.000000e+00 7.219866e-05 ; 4.024443e-01 -7.219866e-05 4.917851e-02 1.505028e-01 0.000485 0.000883 True native_MD 7 17 51 + CA_AB42_3 CB_AB42_6 1 0.000000e+00 3.473371e-05 ; 3.786381e-01 -3.473371e-05 3.595180e-02 1.277428e-01 0.000485 0.001021 True native_MD 7 17 52 + CA_AB42_3 CG_AB42_6 1 0.000000e+00 1.372658e-05 ; 3.504493e-01 -1.372658e-05 1.250093e-02 6.420138e-02 0.000485 0.001339 True native_MD 7 17 53 + CA_AB42_3 ND1_AB42_6 1 0.000000e+00 1.038038e-05 ; 3.423835e-01 -1.038038e-05 1.131850e-02 5.591375e-02 0.000485 0.001339 True native_MD 7 17 54 CA_AB42_3 CD2_AB42_6 1 9.945016e-04 3.039625e-06 ; 3.809510e-01 8.134503e-02 2.148907e-02 6.096246e-02 0.000485 0.001933 True native_MD 7 17 55 CA_AB42_3 CE1_AB42_6 1 1.163823e-03 4.013862e-06 ; 3.886982e-01 8.436296e-02 2.140210e-02 5.547257e-02 0.000485 0.001933 True native_MD 7 17 56 CA_AB42_3 NE2_AB42_6 1 1.177273e-03 4.221598e-06 ; 3.912310e-01 8.207619e-02 2.497494e-02 4.802113e-02 0.000485 0.001339 True native_MD 7 17 57 - CA_AB42_3 C_AB42_6 1 0.000000e+00 1.325942e-05 ; 3.494395e-01 -1.325942e-05 5.934236e-03 2.183654e-02 0.000485 0.001339 True native_MD 7 17 58 - CA_AB42_3 O_AB42_6 1 0.000000e+00 4.210178e-06 ; 3.175802e-01 -4.210178e-06 6.354199e-03 2.000136e-02 0.000485 0.001339 True native_MD 7 17 59 - CA_AB42_3 N_AB42_7 1 0.000000e+00 7.664488e-06 ; 3.338376e-01 -7.664488e-06 3.077035e-03 1.489139e-02 0.000485 0.001339 True native_MD 7 17 60 - CA_AB42_3 CA_AB42_7 1 0.000000e+00 6.747259e-05 ; 4.001802e-01 -6.747259e-05 5.811400e-03 3.505142e-02 0.000485 0.000883 True native_MD 7 17 62 - CA_AB42_3 CB_AB42_7 1 0.000000e+00 3.278973e-05 ; 3.768251e-01 -3.278973e-05 5.474937e-03 3.615607e-02 0.000485 0.001021 True native_MD 7 17 63 - CA_AB42_3 CG_AB42_7 1 0.000000e+00 1.321414e-05 ; 3.493399e-01 -1.321414e-05 2.339921e-03 1.477279e-02 0.000485 0.001339 True native_MD 7 17 64 - CA_AB42_3 OD1_AB42_7 1 0.000000e+00 3.384977e-06 ; 3.118588e-01 -3.384977e-06 1.454870e-03 8.226469e-03 0.000485 0.001339 True native_MD 7 17 65 - CA_AB42_3 OD2_AB42_7 1 0.000000e+00 3.384977e-06 ; 3.118588e-01 -3.384977e-06 1.454870e-03 8.226469e-03 0.000485 0.001339 True native_MD 7 17 66 + CA_AB42_3 C_AB42_6 1 0.000000e+00 1.325935e-05 ; 3.494394e-01 -1.325935e-05 5.934236e-03 2.183654e-02 0.000485 0.001339 True native_MD 7 17 58 + CA_AB42_3 O_AB42_6 1 0.000000e+00 4.210211e-06 ; 3.175804e-01 -4.210211e-06 6.354199e-03 2.000136e-02 0.000485 0.001339 True native_MD 7 17 59 + CA_AB42_3 N_AB42_7 1 0.000000e+00 7.664476e-06 ; 3.338376e-01 -7.664476e-06 3.077035e-03 1.489139e-02 0.000485 0.001339 True native_MD 7 17 60 + CA_AB42_3 CA_AB42_7 1 0.000000e+00 6.747309e-05 ; 4.001805e-01 -6.747309e-05 5.811400e-03 3.505142e-02 0.000485 0.000883 True native_MD 7 17 62 + CA_AB42_3 CB_AB42_7 1 0.000000e+00 3.278959e-05 ; 3.768250e-01 -3.278959e-05 5.474937e-03 3.615607e-02 0.000485 0.001021 True native_MD 7 17 63 + CA_AB42_3 CG_AB42_7 1 0.000000e+00 1.321407e-05 ; 3.493398e-01 -1.321407e-05 2.339921e-03 1.477279e-02 0.000485 0.001339 True native_MD 7 17 64 + CA_AB42_3 OD1_AB42_7 1 0.000000e+00 3.385004e-06 ; 3.118590e-01 -3.385004e-06 1.454870e-03 8.226469e-03 0.000485 0.001339 True native_MD 7 17 65 + CA_AB42_3 OD2_AB42_7 1 0.000000e+00 3.385004e-06 ; 3.118590e-01 -3.385004e-06 1.454870e-03 8.226469e-03 0.000485 0.001339 True native_MD 7 17 66 CA_AB42_3 C_AB42_7 1 1.611852e-03 7.944322e-06 ; 4.125298e-01 8.175859e-02 1.185625e-03 2.301419e-03 0.000485 0.001339 True native_MD 7 17 67 CA_AB42_3 O_AB42_7 1 4.768234e-04 7.745016e-07 ; 3.428552e-01 7.338930e-02 9.621549e-04 2.399254e-03 0.000485 0.001339 True native_MD 7 17 68 CA_AB42_3 N_AB42_8 1 2.184393e-03 1.151702e-05 ; 4.171909e-01 1.035766e-01 1.754885e-03 1.773133e-03 0.000485 0.001339 True native_MD 7 17 69 @@ -5201,23 +5201,23 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CA_AB42_3 C_AB42_42 1 1.666082e-03 5.267717e-06 ; 3.831078e-01 1.317377e-01 3.077759e-03 2.298435e-04 0.000485 0.001339 True native_MD 7 17 358 CA_AB42_3 O1_AB42_42 1 5.601009e-04 6.862719e-07 ; 3.271184e-01 1.142816e-01 1.825423e-03 9.015774e-05 0.000485 0.001339 True native_MD 7 17 359 CA_AB42_3 O2_AB42_42 1 5.601009e-04 6.862719e-07 ; 3.271184e-01 1.142816e-01 1.825423e-03 9.015774e-05 0.000485 0.001339 True native_MD 7 17 360 - CB_AB42_3 CD_AB42_3 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 18 20 - CB_AB42_3 OE1_AB42_3 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 18 21 - CB_AB42_3 OE2_AB42_3 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 18 22 - CB_AB42_3 C_AB42_3 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 18 23 + CB_AB42_3 CD_AB42_3 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 18 20 + CB_AB42_3 OE1_AB42_3 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 18 21 + CB_AB42_3 OE2_AB42_3 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 18 22 + CB_AB42_3 C_AB42_3 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 18 23 CB_AB42_3 O_AB42_3 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 18 24 - CB_AB42_3 N_AB42_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 18 25 - CB_AB42_3 CA_AB42_4 1 0.000000e+00 3.181372e-05 ; 3.758774e-01 -3.181372e-05 9.999933e-01 9.999954e-01 0.000485 0.000060 True native_MD 4 18 27 - CB_AB42_3 CB_AB42_4 1 0.000000e+00 1.796901e-05 ; 3.584033e-01 -1.796901e-05 5.143309e-01 6.782098e-01 0.000485 0.000060 True native_MD 5 18 28 - CB_AB42_3 CG_AB42_4 1 0.000000e+00 7.336032e-06 ; 3.326213e-01 -7.336032e-06 1.066354e-01 2.648414e-01 0.000485 0.000060 True native_MD 6 18 29 + CB_AB42_3 N_AB42_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 18 25 + CB_AB42_3 CA_AB42_4 1 0.000000e+00 3.181358e-05 ; 3.758773e-01 -3.181358e-05 9.999933e-01 9.999954e-01 0.000485 0.000060 True native_MD 4 18 27 + CB_AB42_3 CB_AB42_4 1 0.000000e+00 1.796873e-05 ; 3.584028e-01 -1.796873e-05 5.143309e-01 6.782098e-01 0.000485 0.000060 True native_MD 5 18 28 + CB_AB42_3 CG_AB42_4 1 0.000000e+00 7.335909e-06 ; 3.326209e-01 -7.335909e-06 1.066354e-01 2.648414e-01 0.000485 0.000060 True native_MD 6 18 29 CB_AB42_3 CD1_AB42_4 1 7.387151e-04 1.495926e-06 ; 3.556904e-01 9.119772e-02 8.575955e-02 2.186206e-01 0.000485 0.002332 True native_MD 7 18 30 CB_AB42_3 CD2_AB42_4 1 7.387151e-04 1.495926e-06 ; 3.556904e-01 9.119772e-02 8.575955e-02 2.186206e-01 0.000485 0.002332 True native_MD 7 18 31 CB_AB42_3 CE1_AB42_4 1 9.481354e-04 2.352833e-06 ; 3.679483e-01 9.551896e-02 6.274606e-02 1.405508e-01 0.000485 0.002332 True native_MD 7 18 32 CB_AB42_3 CE2_AB42_4 1 9.481354e-04 2.352833e-06 ; 3.679483e-01 9.551896e-02 6.274606e-02 1.405508e-01 0.000485 0.002332 True native_MD 7 18 33 CB_AB42_3 CZ_AB42_4 1 1.728226e-03 7.269178e-06 ; 4.017730e-01 1.027202e-01 4.495986e-02 8.118582e-02 0.000485 0.002332 True native_MD 7 18 34 - CB_AB42_3 C_AB42_4 1 0.000000e+00 3.943025e-06 ; 3.158499e-01 -3.943025e-06 6.762159e-01 2.987371e-01 0.000485 0.000060 True native_MD 5 18 35 - CB_AB42_3 O_AB42_4 1 0.000000e+00 1.797421e-06 ; 2.958347e-01 -1.797421e-06 2.080853e-01 9.981505e-02 0.000485 0.000060 True native_MD 6 18 36 - CB_AB42_3 N_AB42_5 1 0.000000e+00 3.213241e-06 ; 3.105086e-01 -3.213241e-06 2.590325e-01 1.331266e-01 0.000485 0.000060 True native_MD 6 18 37 + CB_AB42_3 C_AB42_4 1 0.000000e+00 3.942959e-06 ; 3.158495e-01 -3.942959e-06 6.762159e-01 2.987371e-01 0.000485 0.000060 True native_MD 5 18 35 + CB_AB42_3 O_AB42_4 1 0.000000e+00 1.797414e-06 ; 2.958346e-01 -1.797414e-06 2.080853e-01 9.981505e-02 0.000485 0.000060 True native_MD 6 18 36 + CB_AB42_3 N_AB42_5 1 0.000000e+00 3.213199e-06 ; 3.105082e-01 -3.213199e-06 2.590325e-01 1.331266e-01 0.000485 0.000060 True native_MD 6 18 37 CB_AB42_3 CA_AB42_5 1 6.589253e-03 8.853715e-05 ; 4.875826e-01 1.225990e-01 3.283367e-01 1.431702e-01 0.000485 0.001021 True native_MD 7 18 39 CB_AB42_3 CB_AB42_5 1 3.974078e-03 3.079944e-05 ; 4.448542e-01 1.281947e-01 1.995934e-01 8.582034e-02 0.000485 0.001190 True native_MD 7 18 40 CB_AB42_3 CG_AB42_5 1 2.057859e-03 7.382029e-06 ; 3.912551e-01 1.434153e-01 2.876313e-01 7.842639e-02 0.000485 0.001190 True native_MD 7 18 41 @@ -5226,35 +5226,35 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_3 CZ_AB42_5 1 7.049796e-04 1.693715e-06 ; 3.659687e-01 7.335889e-02 1.369582e-01 1.524639e-02 0.000485 0.000060 True native_MD 7 18 44 CB_AB42_3 NH1_AB42_5 1 4.668624e-04 7.298933e-07 ; 3.406788e-01 7.465492e-02 1.159405e-01 1.241567e-02 0.000485 0.000060 True native_MD 7 18 45 CB_AB42_3 NH2_AB42_5 1 4.668624e-04 7.298933e-07 ; 3.406788e-01 7.465492e-02 1.159405e-01 1.241567e-02 0.000485 0.000060 True native_MD 7 18 46 - CB_AB42_3 C_AB42_5 1 0.000000e+00 6.341895e-06 ; 3.286094e-01 -6.341895e-06 2.797394e-02 2.922649e-02 0.000485 0.000060 True native_MD 7 18 47 + CB_AB42_3 C_AB42_5 1 0.000000e+00 6.341788e-06 ; 3.286089e-01 -6.341788e-06 2.797394e-02 2.922649e-02 0.000485 0.000060 True native_MD 7 18 47 CB_AB42_3 O_AB42_5 1 7.425187e-04 1.348897e-06 ; 3.493107e-01 1.021824e-01 3.300077e-02 3.091434e-02 0.000485 0.001191 True native_MD 7 18 48 - CB_AB42_3 N_AB42_6 1 0.000000e+00 3.661310e-06 ; 3.139049e-01 -3.661310e-06 2.842803e-02 2.440975e-02 0.000485 0.000060 True native_MD 7 18 49 + CB_AB42_3 N_AB42_6 1 0.000000e+00 3.661262e-06 ; 3.139045e-01 -3.661262e-06 2.842803e-02 2.440975e-02 0.000485 0.000060 True native_MD 7 18 49 CB_AB42_3 CA_AB42_6 1 2.646130e-03 1.951011e-05 ; 4.411722e-01 8.972275e-02 4.299165e-02 5.014163e-02 0.000485 0.001021 True native_MD 7 18 51 CB_AB42_3 CB_AB42_6 1 1.046807e-03 3.171713e-06 ; 3.803977e-01 8.637320e-02 3.548215e-02 5.333272e-02 0.000485 0.001190 True native_MD 7 18 52 - CB_AB42_3 CG_AB42_6 1 0.000000e+00 6.366116e-06 ; 3.287138e-01 -6.366116e-06 2.138663e-02 2.646330e-02 0.000485 0.000060 True native_MD 7 18 53 - CB_AB42_3 ND1_AB42_6 1 0.000000e+00 4.882879e-06 ; 3.215274e-01 -4.882879e-06 1.518991e-02 2.771379e-02 0.000485 0.000060 True native_MD 7 18 54 + CB_AB42_3 CG_AB42_6 1 0.000000e+00 6.366010e-06 ; 3.287133e-01 -6.366010e-06 2.138663e-02 2.646330e-02 0.000485 0.000060 True native_MD 7 18 53 + CB_AB42_3 ND1_AB42_6 1 0.000000e+00 4.882794e-06 ; 3.215269e-01 -4.882794e-06 1.518991e-02 2.771379e-02 0.000485 0.000060 True native_MD 7 18 54 CB_AB42_3 CD2_AB42_6 1 8.895081e-04 1.752948e-06 ; 3.540815e-01 1.128420e-01 2.461342e-02 3.283046e-02 0.000485 0.002332 True native_MD 7 18 55 CB_AB42_3 CE1_AB42_6 1 7.129365e-04 1.125387e-06 ; 3.412258e-01 1.129119e-01 2.212501e-02 2.944964e-02 0.000485 0.002332 True native_MD 7 18 56 - CB_AB42_3 NE2_AB42_6 1 0.000000e+00 4.823625e-06 ; 3.212004e-01 -4.823625e-06 2.597888e-02 2.621582e-02 0.000485 0.000060 True native_MD 7 18 57 - CB_AB42_3 C_AB42_6 1 0.000000e+00 6.333661e-06 ; 3.285738e-01 -6.333661e-06 6.067200e-03 6.019803e-03 0.000485 0.000060 True native_MD 7 18 58 + CB_AB42_3 NE2_AB42_6 1 0.000000e+00 4.823542e-06 ; 3.212000e-01 -4.823542e-06 2.597888e-02 2.621582e-02 0.000485 0.000060 True native_MD 7 18 57 + CB_AB42_3 C_AB42_6 1 0.000000e+00 6.333555e-06 ; 3.285733e-01 -6.333555e-06 6.067200e-03 6.019803e-03 0.000485 0.000060 True native_MD 7 18 58 CB_AB42_3 O_AB42_6 1 6.682594e-04 1.210005e-06 ; 3.491192e-01 9.226628e-02 6.441556e-03 8.119013e-03 0.000485 0.001191 True native_MD 7 18 59 - CB_AB42_3 N_AB42_7 1 0.000000e+00 3.679199e-06 ; 3.140324e-01 -3.679199e-06 1.819859e-03 2.667879e-03 0.000485 0.000060 True native_MD 7 18 60 - CB_AB42_3 CA_AB42_7 1 0.000000e+00 3.207681e-05 ; 3.761354e-01 -3.207681e-05 3.932027e-03 1.220388e-02 0.000485 0.001021 True native_MD 7 18 62 - CB_AB42_3 CB_AB42_7 1 0.000000e+00 1.566107e-05 ; 3.543209e-01 -1.566107e-05 2.635363e-03 1.702534e-02 0.000485 0.001190 True native_MD 7 18 63 - CB_AB42_3 CG_AB42_7 1 0.000000e+00 6.374416e-06 ; 3.287494e-01 -6.374416e-06 1.979966e-03 8.366943e-03 0.000485 0.000060 True native_MD 7 18 64 - CB_AB42_3 OD1_AB42_7 1 0.000000e+00 1.637968e-06 ; 2.935534e-01 -1.637968e-06 1.494845e-03 5.365672e-03 0.000485 0.000060 True native_MD 7 18 65 - CB_AB42_3 OD2_AB42_7 1 0.000000e+00 1.637968e-06 ; 2.935534e-01 -1.637968e-06 1.494845e-03 5.365672e-03 0.000485 0.000060 True native_MD 7 18 66 - CB_AB42_3 C_AB42_7 1 0.000000e+00 6.330259e-06 ; 3.285591e-01 -6.330259e-06 1.560172e-03 9.757119e-04 0.000485 0.000060 True native_MD 7 18 67 + CB_AB42_3 N_AB42_7 1 0.000000e+00 3.679151e-06 ; 3.140320e-01 -3.679151e-06 1.819859e-03 2.667879e-03 0.000485 0.000060 True native_MD 7 18 60 + CB_AB42_3 CA_AB42_7 1 0.000000e+00 3.207667e-05 ; 3.761353e-01 -3.207667e-05 3.932027e-03 1.220388e-02 0.000485 0.001021 True native_MD 7 18 62 + CB_AB42_3 CB_AB42_7 1 0.000000e+00 1.566082e-05 ; 3.543204e-01 -1.566082e-05 2.635363e-03 1.702534e-02 0.000485 0.001190 True native_MD 7 18 63 + CB_AB42_3 CG_AB42_7 1 0.000000e+00 6.374309e-06 ; 3.287490e-01 -6.374309e-06 1.979966e-03 8.366943e-03 0.000485 0.000060 True native_MD 7 18 64 + CB_AB42_3 OD1_AB42_7 1 0.000000e+00 1.637962e-06 ; 2.935533e-01 -1.637962e-06 1.494845e-03 5.365672e-03 0.000485 0.000060 True native_MD 7 18 65 + CB_AB42_3 OD2_AB42_7 1 0.000000e+00 1.637962e-06 ; 2.935533e-01 -1.637962e-06 1.494845e-03 5.365672e-03 0.000485 0.000060 True native_MD 7 18 66 + CB_AB42_3 C_AB42_7 1 0.000000e+00 6.330153e-06 ; 3.285586e-01 -6.330153e-06 1.560172e-03 9.757119e-04 0.000485 0.000060 True native_MD 7 18 67 CB_AB42_3 O_AB42_7 1 7.223330e-04 1.459676e-06 ; 3.555657e-01 8.936312e-02 1.058379e-03 1.455074e-03 0.000485 0.001191 True native_MD 7 18 68 - CB_AB42_3 N_AB42_8 1 0.000000e+00 3.672092e-06 ; 3.139818e-01 -3.672092e-06 1.511772e-03 4.263380e-04 0.000485 0.000060 True native_MD 7 18 69 + CB_AB42_3 N_AB42_8 1 0.000000e+00 3.672043e-06 ; 3.139814e-01 -3.672043e-06 1.511772e-03 4.263380e-04 0.000485 0.000060 True native_MD 7 18 69 CB_AB42_3 CA_AB42_8 1 2.589919e-03 1.794718e-05 ; 4.366348e-01 9.343639e-02 6.872263e-03 7.172148e-03 0.000485 0.001021 True native_MD 7 18 71 CB_AB42_3 CB_AB42_8 1 1.636780e-03 6.536445e-06 ; 3.983137e-01 1.024658e-01 1.163719e-02 1.080643e-02 0.000485 0.001190 True native_MD 7 18 72 - CB_AB42_3 OG_AB42_8 1 0.000000e+00 2.790758e-06 ; 3.068823e-01 -2.790758e-06 5.364025e-03 7.969321e-03 0.000485 0.000060 True native_MD 7 18 73 - CB_AB42_3 C_AB42_8 1 0.000000e+00 6.328110e-06 ; 3.285498e-01 -6.328110e-06 2.544484e-03 1.620689e-03 0.000485 0.000060 True native_MD 7 18 74 + CB_AB42_3 OG_AB42_8 1 0.000000e+00 2.790716e-06 ; 3.068819e-01 -2.790716e-06 5.364025e-03 7.969321e-03 0.000485 0.000060 True native_MD 7 18 73 + CB_AB42_3 C_AB42_8 1 0.000000e+00 6.328004e-06 ; 3.285493e-01 -6.328004e-06 2.544484e-03 1.620689e-03 0.000485 0.000060 True native_MD 7 18 74 CB_AB42_3 O_AB42_8 1 4.042982e-04 3.714572e-07 ; 3.117941e-01 1.100107e-01 2.244611e-03 1.663550e-03 0.000485 0.001191 True native_MD 7 18 75 - CB_AB42_3 N_AB42_9 1 0.000000e+00 3.671147e-06 ; 3.139751e-01 -3.671147e-06 2.834683e-03 1.492233e-03 0.000485 0.000060 True native_MD 7 18 76 + CB_AB42_3 N_AB42_9 1 0.000000e+00 3.671098e-06 ; 3.139747e-01 -3.671098e-06 2.834683e-03 1.492233e-03 0.000485 0.000060 True native_MD 7 18 76 CB_AB42_3 CA_AB42_9 1 9.207479e-04 2.135051e-06 ; 3.638127e-01 9.926892e-02 7.685657e-03 7.853504e-03 0.000485 0.001190 True native_MD 7 18 78 - CB_AB42_3 C_AB42_9 1 0.000000e+00 6.322345e-06 ; 3.285248e-01 -6.322345e-06 4.121180e-03 2.287233e-03 0.000485 0.000060 True native_MD 7 18 79 + CB_AB42_3 C_AB42_9 1 0.000000e+00 6.322239e-06 ; 3.285244e-01 -6.322239e-06 4.121180e-03 2.287233e-03 0.000485 0.000060 True native_MD 7 18 79 CB_AB42_3 O_AB42_9 1 5.221717e-04 5.992601e-07 ; 3.235691e-01 1.137500e-01 2.788569e-03 1.847895e-03 0.000485 0.001191 True native_MD 7 18 80 CB_AB42_3 N_AB42_10 1 1.008456e-03 3.181986e-06 ; 3.829778e-01 7.990164e-02 2.269968e-03 2.077614e-04 0.000485 0.000060 True native_MD 7 18 81 CB_AB42_3 CA_AB42_10 1 2.600578e-03 1.343262e-05 ; 4.157655e-01 1.258691e-01 5.870418e-03 2.321138e-03 0.000485 0.001021 True native_MD 7 18 83 @@ -5265,52 +5265,52 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_3 CE1_AB42_10 1 1.036919e-03 2.167432e-06 ; 3.575747e-01 1.240179e-01 7.744834e-03 7.393799e-03 0.000485 0.002332 True native_MD 7 18 88 CB_AB42_3 CE2_AB42_10 1 1.036919e-03 2.167432e-06 ; 3.575747e-01 1.240179e-01 7.744834e-03 7.393799e-03 0.000485 0.002332 True native_MD 7 18 89 CB_AB42_3 CZ_AB42_10 1 1.549235e-03 4.453736e-06 ; 3.770809e-01 1.347256e-01 1.251541e-02 8.672344e-03 0.000485 0.002332 True native_MD 7 18 90 - CB_AB42_3 OH_AB42_10 1 0.000000e+00 2.764967e-06 ; 3.066450e-01 -2.764967e-06 1.559230e-02 8.932194e-03 0.000485 0.000060 True native_MD 7 18 91 - CB_AB42_3 C_AB42_10 1 0.000000e+00 6.322581e-06 ; 3.285258e-01 -6.322581e-06 2.108319e-03 3.115813e-04 0.000485 0.000060 True native_MD 7 18 92 + CB_AB42_3 OH_AB42_10 1 0.000000e+00 2.764926e-06 ; 3.066446e-01 -2.764926e-06 1.559230e-02 8.932194e-03 0.000485 0.000060 True native_MD 7 18 91 + CB_AB42_3 C_AB42_10 1 0.000000e+00 6.322474e-06 ; 3.285254e-01 -6.322474e-06 2.108319e-03 3.115813e-04 0.000485 0.000060 True native_MD 7 18 92 CB_AB42_3 O_AB42_10 1 6.100877e-04 8.259780e-07 ; 3.326055e-01 1.126565e-01 1.738769e-03 4.571396e-04 0.000485 0.001191 True native_MD 7 18 93 CB_AB42_3 N_AB42_11 1 6.880232e-04 1.594068e-06 ; 3.637620e-01 7.424024e-02 1.559722e-03 1.691109e-04 0.000485 0.000060 True native_MD 7 18 94 CB_AB42_3 CA_AB42_11 1 1.605148e-03 5.291673e-06 ; 3.857859e-01 1.217243e-01 2.453907e-03 1.098397e-03 0.000485 0.001021 True native_MD 7 18 96 CB_AB42_3 CB_AB42_11 1 2.053251e-03 8.360918e-06 ; 3.996091e-01 1.260579e-01 2.596666e-03 8.673898e-04 0.000485 0.001190 True native_MD 7 18 97 CB_AB42_3 CG_AB42_11 1 1.544037e-03 4.728651e-06 ; 3.810775e-01 1.260428e-01 2.995588e-03 1.373706e-03 0.000485 0.001190 True native_MD 7 18 98 - CB_AB42_3 CD_AB42_11 1 0.000000e+00 6.321272e-06 ; 3.285202e-01 -6.321272e-06 3.551584e-03 1.548276e-03 0.000485 0.000060 True native_MD 7 18 99 - CB_AB42_3 OE1_AB42_11 1 0.000000e+00 1.629283e-06 ; 2.934234e-01 -1.629283e-06 2.464308e-03 1.012371e-03 0.000485 0.000060 True native_MD 7 18 100 - CB_AB42_3 OE2_AB42_11 1 0.000000e+00 1.629283e-06 ; 2.934234e-01 -1.629283e-06 2.464308e-03 1.012371e-03 0.000485 0.000060 True native_MD 7 18 101 - CB_AB42_3 C_AB42_11 1 0.000000e+00 6.331315e-06 ; 3.285636e-01 -6.331315e-06 6.191720e-04 2.013930e-04 0.000485 0.000060 True native_MD 7 18 102 + CB_AB42_3 CD_AB42_11 1 0.000000e+00 6.321166e-06 ; 3.285197e-01 -6.321166e-06 3.551584e-03 1.548276e-03 0.000485 0.000060 True native_MD 7 18 99 + CB_AB42_3 OE1_AB42_11 1 0.000000e+00 1.629277e-06 ; 2.934233e-01 -1.629277e-06 2.464308e-03 1.012371e-03 0.000485 0.000060 True native_MD 7 18 100 + CB_AB42_3 OE2_AB42_11 1 0.000000e+00 1.629277e-06 ; 2.934233e-01 -1.629277e-06 2.464308e-03 1.012371e-03 0.000485 0.000060 True native_MD 7 18 101 + CB_AB42_3 C_AB42_11 1 0.000000e+00 6.331209e-06 ; 3.285632e-01 -6.331209e-06 6.191720e-04 2.013930e-04 0.000485 0.000060 True native_MD 7 18 102 CB_AB42_3 O_AB42_11 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 4.838673e-04 4.352759e-04 0.000485 0.001191 True native_MD 7 18 103 - CB_AB42_3 N_AB42_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 18 104 + CB_AB42_3 N_AB42_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 18 104 CB_AB42_3 CA_AB42_12 1 3.389240e-03 2.211863e-05 ; 4.322908e-01 1.298334e-01 2.907266e-03 8.980182e-04 0.000485 0.001021 True native_MD 7 18 106 CB_AB42_3 CB_AB42_12 1 2.405720e-03 1.222130e-05 ; 4.146154e-01 1.183894e-01 5.574794e-03 2.757225e-03 0.000485 0.001021 True native_MD 7 18 107 CB_AB42_3 CG1_AB42_12 1 1.216605e-03 2.466560e-06 ; 3.557599e-01 1.500195e-01 5.319078e-03 2.153228e-03 0.000485 0.002332 True native_MD 7 18 108 CB_AB42_3 CG2_AB42_12 1 1.350020e-03 3.258472e-06 ; 3.662511e-01 1.398319e-01 4.027765e-03 2.395284e-03 0.000485 0.002332 True native_MD 7 18 109 - CB_AB42_3 C_AB42_12 1 0.000000e+00 6.330185e-06 ; 3.285587e-01 -6.330185e-06 8.235354e-04 2.273842e-04 0.000485 0.000060 True native_MD 7 18 110 + CB_AB42_3 C_AB42_12 1 0.000000e+00 6.330079e-06 ; 3.285583e-01 -6.330079e-06 8.235354e-04 2.273842e-04 0.000485 0.000060 True native_MD 7 18 110 CB_AB42_3 O_AB42_12 1 2.826759e-04 2.201295e-07 ; 3.033181e-01 9.074846e-02 9.026326e-04 2.702159e-04 0.000485 0.001191 True native_MD 7 18 111 - CB_AB42_3 N_AB42_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 18 112 + CB_AB42_3 N_AB42_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 18 112 CB_AB42_3 CA_AB42_13 1 2.244482e-03 9.185559e-06 ; 3.999431e-01 1.371092e-01 3.614480e-03 8.735860e-04 0.000485 0.001021 True native_MD 7 18 114 CB_AB42_3 CB_AB42_13 1 1.902987e-03 6.252635e-06 ; 3.855712e-01 1.447933e-01 4.548978e-03 1.085915e-03 0.000485 0.001190 True native_MD 7 18 115 - CB_AB42_3 CG_AB42_13 1 0.000000e+00 6.314874e-06 ; 3.284924e-01 -6.314874e-06 3.926334e-03 9.128547e-04 0.000485 0.000060 True native_MD 7 18 116 - CB_AB42_3 ND1_AB42_13 1 0.000000e+00 4.813716e-06 ; 3.211454e-01 -4.813716e-06 3.542418e-03 1.724411e-03 0.000485 0.000060 True native_MD 7 18 117 + CB_AB42_3 CG_AB42_13 1 0.000000e+00 6.314768e-06 ; 3.284920e-01 -6.314768e-06 3.926334e-03 9.128547e-04 0.000485 0.000060 True native_MD 7 18 116 + CB_AB42_3 ND1_AB42_13 1 0.000000e+00 4.813632e-06 ; 3.211449e-01 -4.813632e-06 3.542418e-03 1.724411e-03 0.000485 0.000060 True native_MD 7 18 117 CB_AB42_3 CD2_AB42_13 1 1.104358e-03 2.057613e-06 ; 3.507860e-01 1.481823e-01 5.034533e-03 1.822884e-03 0.000485 0.002332 True native_MD 7 18 118 CB_AB42_3 CE1_AB42_13 1 5.754844e-04 5.801336e-07 ; 3.166521e-01 1.427181e-01 6.084300e-03 3.319143e-03 0.000485 0.002332 True native_MD 7 18 119 - CB_AB42_3 NE2_AB42_13 1 0.000000e+00 4.809087e-06 ; 3.211197e-01 -4.809087e-06 5.725602e-03 2.947783e-03 0.000485 0.000060 True native_MD 7 18 120 + CB_AB42_3 NE2_AB42_13 1 0.000000e+00 4.809003e-06 ; 3.211192e-01 -4.809003e-06 5.725602e-03 2.947783e-03 0.000485 0.000060 True native_MD 7 18 120 CB_AB42_3 C_AB42_13 1 8.658121e-04 2.272925e-06 ; 3.714157e-01 8.245221e-02 1.373184e-03 1.164461e-04 0.000485 0.000060 True native_MD 7 18 121 CB_AB42_3 O_AB42_13 1 3.602243e-04 2.914447e-07 ; 3.052558e-01 1.113089e-01 1.670044e-03 1.457148e-04 0.000485 0.001191 True native_MD 7 18 122 CB_AB42_3 N_AB42_14 1 1.015017e-03 3.307392e-06 ; 3.850366e-01 7.787556e-02 9.408695e-04 9.149698e-05 0.000485 0.000060 True native_MD 7 18 123 CB_AB42_3 CA_AB42_14 1 3.514697e-03 1.994331e-05 ; 4.223296e-01 1.548526e-01 6.146824e-03 5.598402e-04 0.000485 0.001021 True native_MD 7 18 125 CB_AB42_3 CB_AB42_14 1 1.595433e-03 4.083167e-06 ; 3.698450e-01 1.558475e-01 6.332593e-03 1.116122e-03 0.000485 0.001190 True native_MD 7 18 126 - CB_AB42_3 CG_AB42_14 1 0.000000e+00 6.309661e-06 ; 3.284698e-01 -6.309661e-06 4.740737e-03 9.042753e-04 0.000485 0.000060 True native_MD 7 18 127 - CB_AB42_3 ND1_AB42_14 1 0.000000e+00 4.801047e-06 ; 3.210749e-01 -4.801047e-06 5.565359e-03 1.120291e-03 0.000485 0.000060 True native_MD 7 18 128 + CB_AB42_3 CG_AB42_14 1 0.000000e+00 6.309555e-06 ; 3.284694e-01 -6.309555e-06 4.740737e-03 9.042753e-04 0.000485 0.000060 True native_MD 7 18 127 + CB_AB42_3 ND1_AB42_14 1 0.000000e+00 4.800963e-06 ; 3.210744e-01 -4.800963e-06 5.565359e-03 1.120291e-03 0.000485 0.000060 True native_MD 7 18 128 CB_AB42_3 CD2_AB42_14 1 9.272083e-04 1.430688e-06 ; 3.399340e-01 1.502276e-01 5.352315e-03 1.760643e-03 0.000485 0.002332 True native_MD 7 18 129 CB_AB42_3 CE1_AB42_14 1 9.696550e-04 1.484154e-06 ; 3.394770e-01 1.583782e-01 7.498060e-03 2.559971e-03 0.000485 0.002332 True native_MD 7 18 130 - CB_AB42_3 NE2_AB42_14 1 0.000000e+00 4.799029e-06 ; 3.210636e-01 -4.799029e-06 7.133857e-03 2.270433e-03 0.000485 0.000060 True native_MD 7 18 131 + CB_AB42_3 NE2_AB42_14 1 0.000000e+00 4.798946e-06 ; 3.210632e-01 -4.798946e-06 7.133857e-03 2.270433e-03 0.000485 0.000060 True native_MD 7 18 131 CB_AB42_3 C_AB42_14 1 1.421443e-03 5.465995e-06 ; 3.958129e-01 9.241223e-02 3.392172e-03 2.135143e-04 0.000485 0.000060 True native_MD 7 18 132 CB_AB42_3 O_AB42_14 1 7.267225e-04 9.963002e-07 ; 3.333012e-01 1.325217e-01 3.150821e-03 2.012776e-04 0.000485 0.001191 True native_MD 7 18 133 CB_AB42_3 N_AB42_15 1 9.822464e-04 2.169878e-06 ; 3.608853e-01 1.111593e-01 1.662583e-03 4.472394e-05 0.000485 0.000060 True native_MD 7 18 134 CB_AB42_3 CA_AB42_15 1 4.085634e-03 2.654327e-05 ; 4.319656e-01 1.572188e-01 6.597870e-03 5.722860e-04 0.000485 0.001021 True native_MD 7 18 136 CB_AB42_3 CB_AB42_15 1 1.922131e-03 6.300406e-06 ; 3.854170e-01 1.466012e-01 4.801874e-03 7.238993e-04 0.000485 0.001190 True native_MD 7 18 137 CB_AB42_3 CG_AB42_15 1 2.008805e-03 6.760585e-06 ; 3.871160e-01 1.492214e-01 5.193547e-03 1.076804e-03 0.000485 0.001190 True native_MD 7 18 138 - CB_AB42_3 CD_AB42_15 1 0.000000e+00 6.313601e-06 ; 3.284869e-01 -6.313601e-06 4.517891e-03 1.303507e-03 0.000485 0.000060 True native_MD 7 18 139 + CB_AB42_3 CD_AB42_15 1 0.000000e+00 6.313495e-06 ; 3.284865e-01 -6.313495e-06 4.517891e-03 1.303507e-03 0.000485 0.000060 True native_MD 7 18 139 CB_AB42_3 OE1_AB42_15 1 4.909137e-04 4.444125e-07 ; 3.110261e-01 1.355702e-01 3.451785e-03 1.021687e-03 0.000485 0.001191 True native_MD 7 18 140 - CB_AB42_3 NE2_AB42_15 1 0.000000e+00 6.305893e-06 ; 3.284535e-01 -6.305893e-06 5.755183e-03 1.786985e-03 0.000485 0.000060 True native_MD 7 18 141 + CB_AB42_3 NE2_AB42_15 1 0.000000e+00 6.305858e-06 ; 3.284533e-01 -6.305858e-06 5.755183e-03 1.786985e-03 0.000485 0.000060 True native_MD 7 18 141 CB_AB42_3 C_AB42_15 1 1.207404e-03 3.120225e-06 ; 3.704437e-01 1.168044e-01 3.214146e-03 9.749843e-05 0.000485 0.000060 True native_MD 7 18 142 CB_AB42_3 O_AB42_15 1 3.250484e-04 1.946365e-07 ; 2.903216e-01 1.357100e-01 3.466256e-03 1.000530e-04 0.000485 0.001191 True native_MD 7 18 143 CB_AB42_3 N_AB42_16 1 1.393108e-03 4.764600e-06 ; 3.881566e-01 1.018318e-01 1.884313e-03 8.947037e-05 0.000485 0.000060 True native_MD 7 18 144 @@ -5368,17 +5368,17 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_3 CA_AB42_22 1 3.723262e-03 2.463635e-05 ; 4.332868e-01 1.406730e-01 4.021274e-03 1.578717e-04 0.000485 0.001021 True native_MD 7 18 203 CB_AB42_3 CB_AB42_22 1 1.512487e-03 4.142808e-06 ; 3.740536e-01 1.380474e-01 3.717406e-03 1.915525e-04 0.000485 0.001190 True native_MD 7 18 204 CB_AB42_3 CG_AB42_22 1 1.629296e-03 4.653897e-06 ; 3.766773e-01 1.426012e-01 4.260133e-03 4.580384e-04 0.000485 0.001190 True native_MD 7 18 205 - CB_AB42_3 CD_AB42_22 1 0.000000e+00 6.317856e-06 ; 3.285054e-01 -6.317856e-06 3.054430e-03 5.117362e-04 0.000485 0.000060 True native_MD 7 18 206 - CB_AB42_3 OE1_AB42_22 1 0.000000e+00 1.628977e-06 ; 2.934188e-01 -1.628977e-06 1.946476e-03 3.068951e-04 0.000485 0.000060 True native_MD 7 18 207 - CB_AB42_3 OE2_AB42_22 1 0.000000e+00 1.628977e-06 ; 2.934188e-01 -1.628977e-06 1.946476e-03 3.068951e-04 0.000485 0.000060 True native_MD 7 18 208 + CB_AB42_3 CD_AB42_22 1 0.000000e+00 6.317750e-06 ; 3.285049e-01 -6.317750e-06 3.054430e-03 5.117362e-04 0.000485 0.000060 True native_MD 7 18 206 + CB_AB42_3 OE1_AB42_22 1 0.000000e+00 1.628971e-06 ; 2.934187e-01 -1.628971e-06 1.946476e-03 3.068951e-04 0.000485 0.000060 True native_MD 7 18 207 + CB_AB42_3 OE2_AB42_22 1 0.000000e+00 1.628971e-06 ; 2.934187e-01 -1.628971e-06 1.946476e-03 3.068951e-04 0.000485 0.000060 True native_MD 7 18 208 CB_AB42_3 C_AB42_22 1 1.544027e-03 5.110025e-06 ; 3.860362e-01 1.166344e-01 1.958580e-03 4.887566e-05 0.000485 0.000060 True native_MD 7 18 209 CB_AB42_3 O_AB42_22 1 4.798966e-04 5.010358e-07 ; 3.185079e-01 1.149123e-01 1.860205e-03 1.418687e-04 0.000485 0.001191 True native_MD 7 18 210 CB_AB42_3 N_AB42_23 1 9.862365e-04 2.683086e-06 ; 3.736304e-01 9.062907e-02 8.994132e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 18 211 CB_AB42_3 CA_AB42_23 1 3.827856e-03 2.644487e-05 ; 4.364130e-01 1.385191e-01 3.770249e-03 1.979756e-04 0.000485 0.001021 True native_MD 7 18 213 CB_AB42_3 CB_AB42_23 1 1.126174e-03 2.388623e-06 ; 3.584460e-01 1.327404e-01 3.171513e-03 2.504528e-04 0.000485 0.001190 True native_MD 7 18 214 CB_AB42_3 CG_AB42_23 1 5.565136e-04 1.091727e-06 ; 3.538124e-01 7.092142e-02 2.534839e-03 3.035347e-04 0.000485 0.000060 True native_MD 7 18 215 - CB_AB42_3 OD1_AB42_23 1 0.000000e+00 1.629845e-06 ; 2.934318e-01 -1.629845e-06 1.444983e-03 3.375670e-04 0.000485 0.000060 True native_MD 7 18 216 - CB_AB42_3 OD2_AB42_23 1 0.000000e+00 1.629845e-06 ; 2.934318e-01 -1.629845e-06 1.444983e-03 3.375670e-04 0.000485 0.000060 True native_MD 7 18 217 + CB_AB42_3 OD1_AB42_23 1 0.000000e+00 1.629840e-06 ; 2.934317e-01 -1.629840e-06 1.444983e-03 3.375670e-04 0.000485 0.000060 True native_MD 7 18 216 + CB_AB42_3 OD2_AB42_23 1 0.000000e+00 1.629840e-06 ; 2.934317e-01 -1.629840e-06 1.444983e-03 3.375670e-04 0.000485 0.000060 True native_MD 7 18 217 CB_AB42_3 C_AB42_23 1 1.388600e-03 3.929597e-06 ; 3.760929e-01 1.226723e-01 2.346467e-03 0.000000e+00 0.000485 0.000060 True native_MD 7 18 218 CB_AB42_3 O_AB42_23 1 4.806433e-04 4.806947e-07 ; 3.162334e-01 1.201480e-01 2.175737e-03 5.139021e-05 0.000485 0.001191 True native_MD 7 18 219 CB_AB42_3 N_AB42_24 1 1.493771e-03 4.865298e-06 ; 3.850090e-01 1.146565e-01 1.846018e-03 0.000000e+00 0.000485 0.000060 True native_MD 7 18 220 @@ -5503,23 +5503,23 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_3 C_AB42_42 1 7.477272e-04 1.484632e-06 ; 3.545242e-01 9.414725e-02 3.630876e-03 2.169757e-04 0.000485 0.000060 True native_MD 7 18 358 CB_AB42_3 O1_AB42_42 1 4.150714e-04 4.496109e-07 ; 3.204687e-01 9.579630e-02 2.486344e-03 1.414258e-04 0.000485 0.000060 True native_MD 7 18 359 CB_AB42_3 O2_AB42_42 1 4.150714e-04 4.496109e-07 ; 3.204687e-01 9.579630e-02 2.486344e-03 1.414258e-04 0.000485 0.000060 True native_MD 7 18 360 - CG_AB42_3 CD_AB42_3 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 19 20 - CG_AB42_3 OE1_AB42_3 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 19 21 - CG_AB42_3 OE2_AB42_3 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 19 22 - CG_AB42_3 C_AB42_3 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 19 23 - CG_AB42_3 O_AB42_3 1 0.000000e+00 1.968188e-06 ; 2.980807e-01 -1.968188e-06 9.877909e-01 9.642412e-01 0.000485 0.000060 True native_MD 4 19 24 - CG_AB42_3 N_AB42_4 1 0.000000e+00 3.636936e-06 ; 3.137302e-01 -3.636936e-06 9.936486e-01 9.829998e-01 0.000485 0.000060 True native_MD 4 19 25 - CG_AB42_3 CA_AB42_4 1 0.000000e+00 2.514654e-05 ; 3.685826e-01 -2.514654e-05 9.116941e-01 7.021264e-01 0.000485 0.000060 True native_MD 5 19 27 - CG_AB42_3 CB_AB42_4 1 0.000000e+00 1.285797e-05 ; 3.485454e-01 -1.285797e-05 3.228141e-01 1.556438e-01 0.000485 0.000060 True native_MD 6 19 28 + CG_AB42_3 CD_AB42_3 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 19 20 + CG_AB42_3 OE1_AB42_3 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 19 21 + CG_AB42_3 OE2_AB42_3 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 19 22 + CG_AB42_3 C_AB42_3 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 19 23 + CG_AB42_3 O_AB42_3 1 0.000000e+00 1.968181e-06 ; 2.980806e-01 -1.968181e-06 9.877909e-01 9.642412e-01 0.000485 0.000060 True native_MD 4 19 24 + CG_AB42_3 N_AB42_4 1 0.000000e+00 3.636888e-06 ; 3.137298e-01 -3.636888e-06 9.936486e-01 9.829998e-01 0.000485 0.000060 True native_MD 4 19 25 + CG_AB42_3 CA_AB42_4 1 0.000000e+00 2.514643e-05 ; 3.685825e-01 -2.514643e-05 9.116941e-01 7.021264e-01 0.000485 0.000060 True native_MD 5 19 27 + CG_AB42_3 CB_AB42_4 1 0.000000e+00 1.285777e-05 ; 3.485450e-01 -1.285777e-05 3.228141e-01 1.556438e-01 0.000485 0.000060 True native_MD 6 19 28 CG_AB42_3 CG_AB42_4 1 1.500407e-03 4.971994e-06 ; 3.861182e-01 1.131951e-01 7.025833e-02 9.272859e-02 0.000485 0.002332 True native_MD 7 19 29 CG_AB42_3 CD1_AB42_4 1 7.626950e-04 1.313788e-06 ; 3.462282e-01 1.106920e-01 6.961011e-02 9.901929e-02 0.000485 0.002332 True native_MD 7 19 30 CG_AB42_3 CD2_AB42_4 1 7.626950e-04 1.313788e-06 ; 3.462282e-01 1.106920e-01 6.961011e-02 9.901929e-02 0.000485 0.002332 True native_MD 7 19 31 CG_AB42_3 CE1_AB42_4 1 7.995089e-04 1.438129e-06 ; 3.487352e-01 1.111191e-01 5.881520e-02 8.260121e-02 0.000485 0.002332 True native_MD 7 19 32 CG_AB42_3 CE2_AB42_4 1 7.995089e-04 1.438129e-06 ; 3.487352e-01 1.111191e-01 5.881520e-02 8.260121e-02 0.000485 0.002332 True native_MD 7 19 33 CG_AB42_3 CZ_AB42_4 1 1.083176e-03 2.525267e-06 ; 3.641397e-01 1.161531e-01 5.540283e-02 6.692738e-02 0.000485 0.002332 True native_MD 7 19 34 - CG_AB42_3 C_AB42_4 1 0.000000e+00 3.256729e-06 ; 3.108566e-01 -3.256729e-06 5.849745e-01 9.914398e-02 0.000485 0.000060 True native_MD 6 19 35 + CG_AB42_3 C_AB42_4 1 0.000000e+00 3.256675e-06 ; 3.108562e-01 -3.256675e-06 5.849745e-01 9.914398e-02 0.000485 0.000060 True native_MD 6 19 35 CG_AB42_3 O_AB42_4 1 9.099186e-04 1.326086e-06 ; 3.367143e-01 1.560894e-01 3.012139e-01 5.622119e-02 0.000485 0.001191 True native_MD 7 19 36 - CG_AB42_3 N_AB42_5 1 0.000000e+00 2.680580e-06 ; 3.058539e-01 -2.680580e-06 3.159528e-01 4.514761e-02 0.000485 0.000060 True native_MD 7 19 37 + CG_AB42_3 N_AB42_5 1 0.000000e+00 2.680544e-06 ; 3.058536e-01 -2.680544e-06 3.159528e-01 4.514761e-02 0.000485 0.000060 True native_MD 7 19 37 CG_AB42_3 CA_AB42_5 1 3.332237e-03 1.785653e-05 ; 4.183215e-01 1.554586e-01 4.514377e-01 7.363171e-02 0.000485 0.001021 True native_MD 7 19 39 CG_AB42_3 CB_AB42_5 1 1.917989e-03 5.550039e-06 ; 3.774925e-01 1.657052e-01 3.479465e-01 4.869053e-02 0.000485 0.001190 True native_MD 7 19 40 CG_AB42_3 CG_AB42_5 1 1.729269e-03 4.523030e-06 ; 3.711885e-01 1.652858e-01 4.253669e-01 6.027642e-02 0.000485 0.001190 True native_MD 7 19 41 @@ -5528,37 +5528,37 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CG_AB42_3 CZ_AB42_5 1 1.163703e-03 3.581654e-06 ; 3.813937e-01 9.452374e-02 2.890334e-01 1.707869e-02 0.000485 0.000060 True native_MD 7 19 44 CG_AB42_3 NH1_AB42_5 1 4.260828e-04 6.221334e-07 ; 3.368203e-01 7.295322e-02 9.073087e-02 1.022366e-02 0.000485 0.000060 True native_MD 7 19 45 CG_AB42_3 NH2_AB42_5 1 4.260828e-04 6.221334e-07 ; 3.368203e-01 7.295322e-02 9.073087e-02 1.022366e-02 0.000485 0.000060 True native_MD 7 19 46 - CG_AB42_3 C_AB42_5 1 0.000000e+00 5.651492e-06 ; 3.254682e-01 -5.651492e-06 1.271437e-01 1.939613e-02 0.000485 0.000060 True native_MD 7 19 47 + CG_AB42_3 C_AB42_5 1 0.000000e+00 5.651397e-06 ; 3.254678e-01 -5.651397e-06 1.271437e-01 1.939613e-02 0.000485 0.000060 True native_MD 7 19 47 CG_AB42_3 O_AB42_5 1 6.001640e-04 6.018127e-07 ; 3.163724e-01 1.496299e-01 8.922637e-02 2.020549e-02 0.000485 0.001191 True native_MD 7 19 48 - CG_AB42_3 N_AB42_6 1 0.000000e+00 3.535500e-06 ; 3.129915e-01 -3.535500e-06 4.889300e-02 1.065071e-02 0.000485 0.000060 True native_MD 7 19 49 + CG_AB42_3 N_AB42_6 1 0.000000e+00 3.535453e-06 ; 3.129912e-01 -3.535453e-06 4.889300e-02 1.065071e-02 0.000485 0.000060 True native_MD 7 19 49 CG_AB42_3 CA_AB42_6 1 1.950238e-03 7.975927e-06 ; 3.998977e-01 1.192159e-01 6.279106e-02 3.029699e-02 0.000485 0.001021 True native_MD 7 19 51 CG_AB42_3 CB_AB42_6 1 8.900464e-04 1.825578e-06 ; 3.564495e-01 1.084838e-01 4.376263e-02 3.394090e-02 0.000485 0.001190 True native_MD 7 19 52 - CG_AB42_3 CG_AB42_6 1 0.000000e+00 6.222048e-06 ; 3.280873e-01 -6.222048e-06 3.528575e-02 1.761708e-02 0.000485 0.000060 True native_MD 7 19 53 - CG_AB42_3 ND1_AB42_6 1 0.000000e+00 4.820513e-06 ; 3.211832e-01 -4.820513e-06 2.081687e-02 2.040833e-02 0.000485 0.000060 True native_MD 7 19 54 + CG_AB42_3 CG_AB42_6 1 0.000000e+00 6.221944e-06 ; 3.280869e-01 -6.221944e-06 3.528575e-02 1.761708e-02 0.000485 0.000060 True native_MD 7 19 53 + CG_AB42_3 ND1_AB42_6 1 0.000000e+00 4.820429e-06 ; 3.211827e-01 -4.820429e-06 2.081687e-02 2.040833e-02 0.000485 0.000060 True native_MD 7 19 54 CG_AB42_3 CD2_AB42_6 1 7.658442e-04 1.092114e-06 ; 3.354964e-01 1.342620e-01 3.592833e-02 2.524373e-02 0.000485 0.002332 True native_MD 7 19 55 CG_AB42_3 CE1_AB42_6 1 7.031092e-04 9.674112e-07 ; 3.335017e-01 1.277540e-01 2.853745e-02 2.436206e-02 0.000485 0.002332 True native_MD 7 19 56 - CG_AB42_3 NE2_AB42_6 1 0.000000e+00 4.756962e-06 ; 3.208282e-01 -4.756962e-06 3.387481e-02 2.028821e-02 0.000485 0.000060 True native_MD 7 19 57 - CG_AB42_3 C_AB42_6 1 0.000000e+00 6.284555e-06 ; 3.283607e-01 -6.284555e-06 1.169410e-02 3.893970e-03 0.000485 0.000060 True native_MD 7 19 58 + CG_AB42_3 NE2_AB42_6 1 0.000000e+00 4.756879e-06 ; 3.208277e-01 -4.756879e-06 3.387481e-02 2.028821e-02 0.000485 0.000060 True native_MD 7 19 57 + CG_AB42_3 C_AB42_6 1 0.000000e+00 6.284450e-06 ; 3.283603e-01 -6.284450e-06 1.169410e-02 3.893970e-03 0.000485 0.000060 True native_MD 7 19 58 CG_AB42_3 O_AB42_6 1 4.520519e-04 4.267318e-07 ; 3.132044e-01 1.197186e-01 8.208971e-03 4.550015e-03 0.000485 0.001191 True native_MD 7 19 59 - CG_AB42_3 N_AB42_7 1 0.000000e+00 3.669334e-06 ; 3.139621e-01 -3.669334e-06 3.341501e-03 1.505987e-03 0.000485 0.000060 True native_MD 7 19 60 + CG_AB42_3 N_AB42_7 1 0.000000e+00 3.669286e-06 ; 3.139618e-01 -3.669286e-06 3.341501e-03 1.505987e-03 0.000485 0.000060 True native_MD 7 19 60 CG_AB42_3 CA_AB42_7 1 1.350513e-03 5.835771e-06 ; 4.035834e-01 7.813386e-02 5.041480e-03 8.317435e-03 0.000485 0.001021 True native_MD 7 19 62 - CG_AB42_3 CB_AB42_7 1 0.000000e+00 1.556712e-05 ; 3.541433e-01 -1.556712e-05 2.517713e-03 1.082271e-02 0.000485 0.001190 True native_MD 7 19 63 - CG_AB42_3 CG_AB42_7 1 0.000000e+00 6.367124e-06 ; 3.287181e-01 -6.367124e-06 1.734493e-03 6.970183e-03 0.000485 0.000060 True native_MD 7 19 64 - CG_AB42_3 OD1_AB42_7 1 0.000000e+00 1.636472e-06 ; 2.935310e-01 -1.636472e-06 1.656151e-03 4.609897e-03 0.000485 0.000060 True native_MD 7 19 65 - CG_AB42_3 OD2_AB42_7 1 0.000000e+00 1.636472e-06 ; 2.935310e-01 -1.636472e-06 1.656151e-03 4.609897e-03 0.000485 0.000060 True native_MD 7 19 66 - CG_AB42_3 C_AB42_7 1 0.000000e+00 6.331031e-06 ; 3.285624e-01 -6.331031e-06 1.906465e-03 1.443899e-03 0.000485 0.000060 True native_MD 7 19 67 + CG_AB42_3 CB_AB42_7 1 0.000000e+00 1.556687e-05 ; 3.541428e-01 -1.556687e-05 2.517713e-03 1.082271e-02 0.000485 0.001190 True native_MD 7 19 63 + CG_AB42_3 CG_AB42_7 1 0.000000e+00 6.367017e-06 ; 3.287176e-01 -6.367017e-06 1.734493e-03 6.970183e-03 0.000485 0.000060 True native_MD 7 19 64 + CG_AB42_3 OD1_AB42_7 1 0.000000e+00 1.636466e-06 ; 2.935310e-01 -1.636466e-06 1.656151e-03 4.609897e-03 0.000485 0.000060 True native_MD 7 19 65 + CG_AB42_3 OD2_AB42_7 1 0.000000e+00 1.636466e-06 ; 2.935310e-01 -1.636466e-06 1.656151e-03 4.609897e-03 0.000485 0.000060 True native_MD 7 19 66 + CG_AB42_3 C_AB42_7 1 0.000000e+00 6.330925e-06 ; 3.285619e-01 -6.330925e-06 1.906465e-03 1.443899e-03 0.000485 0.000060 True native_MD 7 19 67 CG_AB42_3 O_AB42_7 1 3.687533e-04 3.490625e-07 ; 3.133487e-01 9.738875e-02 1.795142e-03 1.941048e-03 0.000485 0.001191 True native_MD 7 19 68 - CG_AB42_3 N_AB42_8 1 0.000000e+00 3.672676e-06 ; 3.139859e-01 -3.672676e-06 1.886231e-03 9.596650e-04 0.000485 0.000060 True native_MD 7 19 69 + CG_AB42_3 N_AB42_8 1 0.000000e+00 3.672627e-06 ; 3.139856e-01 -3.672627e-06 1.886231e-03 9.596650e-04 0.000485 0.000060 True native_MD 7 19 69 CG_AB42_3 CA_AB42_8 1 2.555387e-03 1.567859e-05 ; 4.278666e-01 1.041229e-01 1.180741e-02 8.949823e-03 0.000485 0.001021 True native_MD 7 19 71 CG_AB42_3 CB_AB42_8 1 7.406956e-04 1.330562e-06 ; 3.486577e-01 1.030824e-01 1.354889e-02 1.235162e-02 0.000485 0.001190 True native_MD 7 19 72 - CG_AB42_3 OG_AB42_8 1 0.000000e+00 2.778504e-06 ; 3.067698e-01 -2.778504e-06 9.997891e-03 8.200855e-03 0.000485 0.000060 True native_MD 7 19 73 - CG_AB42_3 C_AB42_8 1 0.000000e+00 6.321854e-06 ; 3.285227e-01 -6.321854e-06 3.786699e-03 1.875310e-03 0.000485 0.000060 True native_MD 7 19 74 + CG_AB42_3 OG_AB42_8 1 0.000000e+00 2.778462e-06 ; 3.067694e-01 -2.778462e-06 9.997891e-03 8.200855e-03 0.000485 0.000060 True native_MD 7 19 73 + CG_AB42_3 C_AB42_8 1 0.000000e+00 6.321748e-06 ; 3.285222e-01 -6.321748e-06 3.786699e-03 1.875310e-03 0.000485 0.000060 True native_MD 7 19 74 CG_AB42_3 O_AB42_8 1 7.125445e-04 1.154372e-06 ; 3.427065e-01 1.099558e-01 2.464725e-03 1.829683e-03 0.000485 0.001191 True native_MD 7 19 75 - CG_AB42_3 N_AB42_9 1 0.000000e+00 3.666557e-06 ; 3.139423e-01 -3.666557e-06 4.306928e-03 1.715891e-03 0.000485 0.000060 True native_MD 7 19 76 + CG_AB42_3 N_AB42_9 1 0.000000e+00 3.666509e-06 ; 3.139420e-01 -3.666509e-06 4.306928e-03 1.715891e-03 0.000485 0.000060 True native_MD 7 19 76 CG_AB42_3 CA_AB42_9 1 8.368665e-04 1.768868e-06 ; 3.582393e-01 9.898216e-02 7.403991e-03 7.630891e-03 0.000485 0.001190 True native_MD 7 19 78 - CG_AB42_3 C_AB42_9 1 0.000000e+00 6.323571e-06 ; 3.285301e-01 -6.323571e-06 4.212425e-03 2.572065e-03 0.000485 0.000060 True native_MD 7 19 79 + CG_AB42_3 C_AB42_9 1 0.000000e+00 6.323465e-06 ; 3.285297e-01 -6.323465e-06 4.212425e-03 2.572065e-03 0.000485 0.000060 True native_MD 7 19 79 CG_AB42_3 O_AB42_9 1 5.318962e-04 6.941971e-07 ; 3.305796e-01 1.018852e-01 2.421397e-03 2.288574e-03 0.000485 0.001191 True native_MD 7 19 80 - CG_AB42_3 N_AB42_10 1 0.000000e+00 3.668166e-06 ; 3.139538e-01 -3.668166e-06 2.672004e-03 5.187260e-04 0.000485 0.000060 True native_MD 7 19 81 + CG_AB42_3 N_AB42_10 1 0.000000e+00 3.668118e-06 ; 3.139535e-01 -3.668118e-06 2.672004e-03 5.187260e-04 0.000485 0.000060 True native_MD 7 19 81 CG_AB42_3 CA_AB42_10 1 2.150724e-03 9.570490e-06 ; 4.055629e-01 1.208301e-01 6.633262e-03 3.049648e-03 0.000485 0.001021 True native_MD 7 19 83 CG_AB42_3 CB_AB42_10 1 1.307696e-03 3.725806e-06 ; 3.765179e-01 1.147449e-01 6.372381e-03 4.097775e-03 0.000485 0.001190 True native_MD 7 19 84 CG_AB42_3 CG_AB42_10 1 1.732703e-03 5.232151e-06 ; 3.801830e-01 1.434524e-01 5.736665e-03 3.061481e-03 0.000485 0.002332 True native_MD 7 19 85 @@ -5567,52 +5567,52 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CG_AB42_3 CE1_AB42_10 1 1.085782e-03 2.050189e-06 ; 3.515673e-01 1.437578e-01 1.187734e-02 6.280895e-03 0.000485 0.002332 True native_MD 7 19 88 CG_AB42_3 CE2_AB42_10 1 1.085782e-03 2.050189e-06 ; 3.515673e-01 1.437578e-01 1.187734e-02 6.280895e-03 0.000485 0.002332 True native_MD 7 19 89 CG_AB42_3 CZ_AB42_10 1 1.912673e-03 6.188371e-06 ; 3.845823e-01 1.477901e-01 1.585856e-02 7.432933e-03 0.000485 0.002332 True native_MD 7 19 90 - CG_AB42_3 OH_AB42_10 1 0.000000e+00 2.759140e-06 ; 3.065911e-01 -2.759140e-06 1.629204e-02 7.538623e-03 0.000485 0.000060 True native_MD 7 19 91 - CG_AB42_3 C_AB42_10 1 0.000000e+00 6.322583e-06 ; 3.285258e-01 -6.322583e-06 2.210158e-03 4.137787e-04 0.000485 0.000060 True native_MD 7 19 92 + CG_AB42_3 OH_AB42_10 1 0.000000e+00 2.759099e-06 ; 3.065907e-01 -2.759099e-06 1.629204e-02 7.538623e-03 0.000485 0.000060 True native_MD 7 19 91 + CG_AB42_3 C_AB42_10 1 0.000000e+00 6.322477e-06 ; 3.285254e-01 -6.322477e-06 2.210158e-03 4.137787e-04 0.000485 0.000060 True native_MD 7 19 92 CG_AB42_3 O_AB42_10 1 5.681149e-04 7.027490e-07 ; 3.276378e-01 1.148186e-01 1.854993e-03 6.746552e-04 0.000485 0.001191 True native_MD 7 19 93 - CG_AB42_3 N_AB42_11 1 0.000000e+00 3.672447e-06 ; 3.139843e-01 -3.672447e-06 1.216026e-03 2.272683e-04 0.000485 0.000060 True native_MD 7 19 94 + CG_AB42_3 N_AB42_11 1 0.000000e+00 3.672399e-06 ; 3.139840e-01 -3.672399e-06 1.216026e-03 2.272683e-04 0.000485 0.000060 True native_MD 7 19 94 CG_AB42_3 CA_AB42_11 1 1.568734e-03 6.268661e-06 ; 3.983556e-01 9.814409e-02 2.238420e-03 2.029115e-03 0.000485 0.001021 True native_MD 7 19 96 CG_AB42_3 CB_AB42_11 1 2.958087e-03 1.903787e-05 ; 4.312885e-01 1.149062e-01 2.161863e-03 1.383496e-03 0.000485 0.001190 True native_MD 7 19 97 CG_AB42_3 CG_AB42_11 1 1.277545e-03 3.867399e-06 ; 3.803416e-01 1.055050e-01 2.256173e-03 1.912961e-03 0.000485 0.001190 True native_MD 7 19 98 - CG_AB42_3 CD_AB42_11 1 0.000000e+00 6.333674e-06 ; 3.285738e-01 -6.333674e-06 1.847240e-03 1.801903e-03 0.000485 0.000060 True native_MD 7 19 99 - CG_AB42_3 OE1_AB42_11 1 0.000000e+00 1.631357e-06 ; 2.934545e-01 -1.631357e-06 1.130130e-03 9.495635e-04 0.000485 0.000060 True native_MD 7 19 100 - CG_AB42_3 OE2_AB42_11 1 0.000000e+00 1.631357e-06 ; 2.934545e-01 -1.631357e-06 1.130130e-03 9.495635e-04 0.000485 0.000060 True native_MD 7 19 101 - CG_AB42_3 C_AB42_11 1 0.000000e+00 6.333569e-06 ; 3.285734e-01 -6.333569e-06 5.368989e-04 4.749750e-04 0.000485 0.000060 True native_MD 7 19 102 + CG_AB42_3 CD_AB42_11 1 0.000000e+00 6.333568e-06 ; 3.285734e-01 -6.333568e-06 1.847240e-03 1.801903e-03 0.000485 0.000060 True native_MD 7 19 99 + CG_AB42_3 OE1_AB42_11 1 0.000000e+00 1.631352e-06 ; 2.934544e-01 -1.631352e-06 1.130130e-03 9.495635e-04 0.000485 0.000060 True native_MD 7 19 100 + CG_AB42_3 OE2_AB42_11 1 0.000000e+00 1.631352e-06 ; 2.934544e-01 -1.631352e-06 1.130130e-03 9.495635e-04 0.000485 0.000060 True native_MD 7 19 101 + CG_AB42_3 C_AB42_11 1 0.000000e+00 6.333462e-06 ; 3.285729e-01 -6.333462e-06 5.368989e-04 4.749750e-04 0.000485 0.000060 True native_MD 7 19 102 CG_AB42_3 O_AB42_11 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 2.419407e-04 5.747997e-04 0.000485 0.001191 True native_MD 7 19 103 - CG_AB42_3 N_AB42_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 19 104 + CG_AB42_3 N_AB42_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 19 104 CG_AB42_3 CA_AB42_12 1 3.514006e-03 2.479561e-05 ; 4.379542e-01 1.245002e-01 2.583085e-03 1.064049e-03 0.000485 0.001021 True native_MD 7 19 106 CG_AB42_3 CB_AB42_12 1 2.515037e-03 1.373568e-05 ; 4.196472e-01 1.151274e-01 5.843442e-03 3.186452e-03 0.000485 0.001021 True native_MD 7 19 107 CG_AB42_3 CG1_AB42_12 1 1.331118e-03 3.101531e-06 ; 3.641050e-01 1.428226e-01 5.220286e-03 2.838690e-03 0.000485 0.002332 True native_MD 7 19 108 CG_AB42_3 CG2_AB42_12 1 1.294690e-03 3.030052e-06 ; 3.643740e-01 1.382998e-01 4.783914e-03 2.978443e-03 0.000485 0.002332 True native_MD 7 19 109 - CG_AB42_3 C_AB42_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 19 110 + CG_AB42_3 C_AB42_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 19 110 CG_AB42_3 O_AB42_12 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 3.684135e-04 3.494465e-04 0.000485 0.001191 True native_MD 7 19 111 - CG_AB42_3 N_AB42_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 19 112 + CG_AB42_3 N_AB42_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 19 112 CG_AB42_3 CA_AB42_13 1 3.278003e-03 2.150429e-05 ; 4.326659e-01 1.249205e-01 2.994087e-03 1.217940e-03 0.000485 0.001021 True native_MD 7 19 114 CG_AB42_3 CB_AB42_13 1 9.713842e-04 1.833066e-06 ; 3.515317e-01 1.286898e-01 4.223161e-03 1.789152e-03 0.000485 0.001190 True native_MD 7 19 115 - CG_AB42_3 CG_AB42_13 1 0.000000e+00 6.310674e-06 ; 3.284742e-01 -6.310674e-06 4.855321e-03 1.178821e-03 0.000485 0.000060 True native_MD 7 19 116 - CG_AB42_3 ND1_AB42_13 1 0.000000e+00 4.811860e-06 ; 3.211351e-01 -4.811860e-06 4.246027e-03 2.043197e-03 0.000485 0.000060 True native_MD 7 19 117 + CG_AB42_3 CG_AB42_13 1 0.000000e+00 6.310568e-06 ; 3.284738e-01 -6.310568e-06 4.855321e-03 1.178821e-03 0.000485 0.000060 True native_MD 7 19 116 + CG_AB42_3 ND1_AB42_13 1 0.000000e+00 4.811776e-06 ; 3.211346e-01 -4.811776e-06 4.246027e-03 2.043197e-03 0.000485 0.000060 True native_MD 7 19 117 CG_AB42_3 CD2_AB42_13 1 1.147876e-03 2.175555e-06 ; 3.517865e-01 1.514119e-01 6.410736e-03 2.696082e-03 0.000485 0.002332 True native_MD 7 19 118 CG_AB42_3 CE1_AB42_13 1 8.502918e-04 1.305602e-06 ; 3.396569e-01 1.384411e-01 6.141242e-03 3.807656e-03 0.000485 0.002332 True native_MD 7 19 119 - CG_AB42_3 NE2_AB42_13 1 0.000000e+00 4.806621e-06 ; 3.211059e-01 -4.806621e-06 6.873430e-03 3.584252e-03 0.000485 0.000060 True native_MD 7 19 120 - CG_AB42_3 C_AB42_13 1 0.000000e+00 6.327605e-06 ; 3.285476e-01 -6.327605e-06 1.409492e-03 4.060117e-04 0.000485 0.000060 True native_MD 7 19 121 + CG_AB42_3 NE2_AB42_13 1 0.000000e+00 4.806537e-06 ; 3.211055e-01 -4.806537e-06 6.873430e-03 3.584252e-03 0.000485 0.000060 True native_MD 7 19 120 + CG_AB42_3 C_AB42_13 1 0.000000e+00 6.327499e-06 ; 3.285471e-01 -6.327499e-06 1.409492e-03 4.060117e-04 0.000485 0.000060 True native_MD 7 19 121 CG_AB42_3 O_AB42_13 1 5.229739e-04 6.705777e-07 ; 3.296058e-01 1.019650e-01 1.262665e-03 4.303336e-04 0.000485 0.001191 True native_MD 7 19 122 - CG_AB42_3 N_AB42_14 1 0.000000e+00 3.673067e-06 ; 3.139887e-01 -3.673067e-06 9.689384e-04 1.489876e-04 0.000485 0.000060 True native_MD 7 19 123 + CG_AB42_3 N_AB42_14 1 0.000000e+00 3.673019e-06 ; 3.139884e-01 -3.673019e-06 9.689384e-04 1.489876e-04 0.000485 0.000060 True native_MD 7 19 123 CG_AB42_3 CA_AB42_14 1 2.636800e-03 1.107249e-05 ; 4.016626e-01 1.569817e-01 6.551219e-03 8.376504e-04 0.000485 0.001021 True native_MD 7 19 125 CG_AB42_3 CB_AB42_14 1 1.324682e-03 2.901043e-06 ; 3.603632e-01 1.512200e-01 5.860576e-03 1.265122e-03 0.000485 0.001190 True native_MD 7 19 126 - CG_AB42_3 CG_AB42_14 1 0.000000e+00 6.310225e-06 ; 3.284723e-01 -6.310225e-06 4.799608e-03 1.052251e-03 0.000485 0.000060 True native_MD 7 19 127 - CG_AB42_3 ND1_AB42_14 1 0.000000e+00 4.807764e-06 ; 3.211123e-01 -4.807764e-06 4.621197e-03 1.569160e-03 0.000485 0.000060 True native_MD 7 19 128 + CG_AB42_3 CG_AB42_14 1 0.000000e+00 6.310119e-06 ; 3.284718e-01 -6.310119e-06 4.799608e-03 1.052251e-03 0.000485 0.000060 True native_MD 7 19 127 + CG_AB42_3 ND1_AB42_14 1 0.000000e+00 4.807681e-06 ; 3.211118e-01 -4.807681e-06 4.621197e-03 1.569160e-03 0.000485 0.000060 True native_MD 7 19 128 CG_AB42_3 CD2_AB42_14 1 1.367936e-03 3.069297e-06 ; 3.618225e-01 1.524167e-01 5.714681e-03 1.589727e-03 0.000485 0.002332 True native_MD 7 19 129 CG_AB42_3 CE1_AB42_14 1 7.691541e-04 9.455479e-07 ; 3.272993e-01 1.564167e-01 7.777204e-03 2.815803e-03 0.000485 0.002332 True native_MD 7 19 130 - CG_AB42_3 NE2_AB42_14 1 0.000000e+00 4.793801e-06 ; 3.210345e-01 -4.793801e-06 8.351137e-03 2.403646e-03 0.000485 0.000060 True native_MD 7 19 131 + CG_AB42_3 NE2_AB42_14 1 0.000000e+00 4.793718e-06 ; 3.210340e-01 -4.793718e-06 8.351137e-03 2.403646e-03 0.000485 0.000060 True native_MD 7 19 131 CG_AB42_3 C_AB42_14 1 1.631925e-03 5.413806e-06 ; 3.861894e-01 1.229809e-01 3.963511e-03 9.993965e-05 0.000485 0.000060 True native_MD 7 19 132 CG_AB42_3 O_AB42_14 1 6.104092e-04 7.075082e-07 ; 3.241045e-01 1.316591e-01 3.070523e-03 1.923768e-04 0.000485 0.001191 True native_MD 7 19 133 CG_AB42_3 N_AB42_15 1 1.097380e-03 2.340389e-06 ; 3.587747e-01 1.286371e-01 2.805025e-03 5.038085e-05 0.000485 0.000060 True native_MD 7 19 134 CG_AB42_3 CA_AB42_15 1 2.452328e-03 9.577553e-06 ; 3.968375e-01 1.569793e-01 6.550760e-03 5.734409e-04 0.000485 0.001021 True native_MD 7 19 136 CG_AB42_3 CB_AB42_15 1 1.693363e-03 4.886045e-06 ; 3.773125e-01 1.467178e-01 4.818649e-03 6.072831e-04 0.000485 0.001190 True native_MD 7 19 137 CG_AB42_3 CG_AB42_15 1 2.091697e-03 7.166377e-06 ; 3.882697e-01 1.526292e-01 5.751149e-03 8.819505e-04 0.000485 0.001190 True native_MD 7 19 138 - CG_AB42_3 CD_AB42_15 1 0.000000e+00 6.308596e-06 ; 3.284652e-01 -6.308596e-06 5.014376e-03 1.009706e-03 0.000485 0.000060 True native_MD 7 19 139 + CG_AB42_3 CD_AB42_15 1 0.000000e+00 6.308490e-06 ; 3.284648e-01 -6.308490e-06 5.014376e-03 1.009706e-03 0.000485 0.000060 True native_MD 7 19 139 CG_AB42_3 OE1_AB42_15 1 6.452375e-04 8.433901e-07 ; 3.306624e-01 1.234101e-01 2.398851e-03 8.415337e-04 0.000485 0.001191 True native_MD 7 19 140 - CG_AB42_3 NE2_AB42_15 1 0.000000e+00 6.308428e-06 ; 3.284645e-01 -6.308428e-06 5.287058e-03 1.719224e-03 0.000485 0.000060 True native_MD 7 19 141 + CG_AB42_3 NE2_AB42_15 1 0.000000e+00 6.308392e-06 ; 3.284643e-01 -6.308392e-06 5.287058e-03 1.719224e-03 0.000485 0.000060 True native_MD 7 19 141 CG_AB42_3 C_AB42_15 1 1.500329e-03 5.269211e-06 ; 3.898760e-01 1.067991e-01 3.011356e-03 1.232337e-04 0.000485 0.000060 True native_MD 7 19 142 CG_AB42_3 O_AB42_15 1 5.107941e-04 5.471992e-07 ; 3.198772e-01 1.192027e-01 2.115056e-03 1.291391e-04 0.000485 0.001191 True native_MD 7 19 143 CG_AB42_3 N_AB42_16 1 1.127034e-03 2.730840e-06 ; 3.664881e-01 1.162834e-01 1.938115e-03 5.002524e-05 0.000485 0.000060 True native_MD 7 19 144 @@ -5648,7 +5648,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CG_AB42_3 CE1_AB42_19 1 1.363640e-03 2.752139e-06 ; 3.554909e-01 1.689153e-01 9.363103e-03 2.198577e-03 0.000485 0.002332 True native_MD 7 19 178 CG_AB42_3 CE2_AB42_19 1 1.363640e-03 2.752139e-06 ; 3.554909e-01 1.689153e-01 9.363103e-03 2.198577e-03 0.000485 0.002332 True native_MD 7 19 179 CG_AB42_3 CZ_AB42_19 1 1.548845e-03 3.527026e-06 ; 3.627160e-01 1.700385e-01 1.109943e-02 2.673261e-03 0.000485 0.002332 True native_MD 7 19 180 - CG_AB42_3 C_AB42_19 1 0.000000e+00 6.323813e-06 ; 3.285312e-01 -6.323813e-06 2.082118e-03 4.799896e-04 0.000485 0.000060 True native_MD 7 19 181 + CG_AB42_3 C_AB42_19 1 0.000000e+00 6.323707e-06 ; 3.285307e-01 -6.323707e-06 2.082118e-03 4.799896e-04 0.000485 0.000060 True native_MD 7 19 181 CG_AB42_3 O_AB42_19 1 5.248982e-04 7.150167e-07 ; 3.329458e-01 9.633276e-02 1.066813e-03 3.936801e-04 0.000485 0.001191 True native_MD 7 19 182 CG_AB42_3 N_AB42_20 1 4.462115e-04 5.699266e-07 ; 3.293920e-01 8.733788e-02 3.219565e-03 2.358826e-04 0.000485 0.000060 True native_MD 7 19 183 CG_AB42_3 CA_AB42_20 1 2.629162e-03 1.080741e-05 ; 4.002371e-01 1.599017e-01 8.165921e-03 1.166077e-03 0.000485 0.001021 True native_MD 7 19 185 @@ -5664,23 +5664,23 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CG_AB42_3 N_AB42_21 1 7.963347e-04 1.624665e-06 ; 3.561323e-01 9.758148e-02 3.777500e-03 2.036904e-04 0.000485 0.000060 True native_MD 7 19 195 CG_AB42_3 CA_AB42_21 1 2.354497e-03 8.975368e-06 ; 3.952383e-01 1.544130e-01 7.656419e-03 1.288494e-03 0.000485 0.001021 True native_MD 7 19 197 CG_AB42_3 CB_AB42_21 1 1.214212e-03 2.267811e-06 ; 3.509286e-01 1.625258e-01 7.733509e-03 1.498974e-03 0.000485 0.002332 True native_MD 7 19 198 - CG_AB42_3 C_AB42_21 1 0.000000e+00 6.327653e-06 ; 3.285478e-01 -6.327653e-06 1.321912e-03 3.259645e-04 0.000485 0.000060 True native_MD 7 19 199 + CG_AB42_3 C_AB42_21 1 0.000000e+00 6.327547e-06 ; 3.285473e-01 -6.327547e-06 1.321912e-03 3.259645e-04 0.000485 0.000060 True native_MD 7 19 199 CG_AB42_3 O_AB42_21 1 5.941482e-04 8.964078e-07 ; 3.386636e-01 9.845186e-02 1.136657e-03 4.071658e-04 0.000485 0.001191 True native_MD 7 19 200 - CG_AB42_3 N_AB42_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 19 201 + CG_AB42_3 N_AB42_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 19 201 CG_AB42_3 CA_AB42_22 1 4.495857e-03 3.911885e-05 ; 4.535191e-01 1.291751e-01 2.850556e-03 5.382438e-04 0.000485 0.001021 True native_MD 7 19 203 CG_AB42_3 CB_AB42_22 1 1.468686e-03 4.007279e-06 ; 3.738122e-01 1.345699e-01 3.349995e-03 3.375458e-04 0.000485 0.001190 True native_MD 7 19 204 CG_AB42_3 CG_AB42_22 1 1.890685e-03 6.541445e-06 ; 3.889040e-01 1.366169e-01 3.561626e-03 8.101821e-04 0.000485 0.001190 True native_MD 7 19 205 - CG_AB42_3 CD_AB42_22 1 0.000000e+00 6.326087e-06 ; 3.285410e-01 -6.326087e-06 1.989303e-03 7.461365e-04 0.000485 0.000060 True native_MD 7 19 206 - CG_AB42_3 OE1_AB42_22 1 0.000000e+00 1.630110e-06 ; 2.934358e-01 -1.630110e-06 1.322462e-03 3.771833e-04 0.000485 0.000060 True native_MD 7 19 207 - CG_AB42_3 OE2_AB42_22 1 0.000000e+00 1.630110e-06 ; 2.934358e-01 -1.630110e-06 1.322462e-03 3.771833e-04 0.000485 0.000060 True native_MD 7 19 208 + CG_AB42_3 CD_AB42_22 1 0.000000e+00 6.325981e-06 ; 3.285406e-01 -6.325981e-06 1.989303e-03 7.461365e-04 0.000485 0.000060 True native_MD 7 19 206 + CG_AB42_3 OE1_AB42_22 1 0.000000e+00 1.630104e-06 ; 2.934357e-01 -1.630104e-06 1.322462e-03 3.771833e-04 0.000485 0.000060 True native_MD 7 19 207 + CG_AB42_3 OE2_AB42_22 1 0.000000e+00 1.630104e-06 ; 2.934357e-01 -1.630104e-06 1.322462e-03 3.771833e-04 0.000485 0.000060 True native_MD 7 19 208 CG_AB42_3 C_AB42_22 1 1.216982e-03 3.687845e-06 ; 3.804066e-01 1.004005e-01 1.204911e-03 5.094734e-05 0.000485 0.000060 True native_MD 7 19 209 CG_AB42_3 O_AB42_22 1 7.351817e-04 1.276970e-06 ; 3.467084e-01 1.058154e-01 1.416871e-03 1.045764e-04 0.000485 0.001191 True native_MD 7 19 210 - CG_AB42_3 N_AB42_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 19 211 + CG_AB42_3 N_AB42_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 19 211 CG_AB42_3 CA_AB42_23 1 4.057562e-03 3.351736e-05 ; 4.496081e-01 1.228006e-01 2.355496e-03 3.046238e-04 0.000485 0.001021 True native_MD 7 19 213 CG_AB42_3 CB_AB42_23 1 9.123544e-04 1.737071e-06 ; 3.520538e-01 1.197980e-01 2.153070e-03 4.704930e-04 0.000485 0.001190 True native_MD 7 19 214 - CG_AB42_3 CG_AB42_23 1 0.000000e+00 6.327285e-06 ; 3.285462e-01 -6.327285e-06 1.392230e-03 3.382238e-04 0.000485 0.000060 True native_MD 7 19 215 - CG_AB42_3 OD1_AB42_23 1 0.000000e+00 1.630742e-06 ; 2.934453e-01 -1.630742e-06 7.591876e-04 2.013288e-04 0.000485 0.000060 True native_MD 7 19 216 - CG_AB42_3 OD2_AB42_23 1 0.000000e+00 1.630742e-06 ; 2.934453e-01 -1.630742e-06 7.591876e-04 2.013288e-04 0.000485 0.000060 True native_MD 7 19 217 + CG_AB42_3 CG_AB42_23 1 0.000000e+00 6.327179e-06 ; 3.285457e-01 -6.327179e-06 1.392230e-03 3.382238e-04 0.000485 0.000060 True native_MD 7 19 215 + CG_AB42_3 OD1_AB42_23 1 0.000000e+00 1.630736e-06 ; 2.934452e-01 -1.630736e-06 7.591876e-04 2.013288e-04 0.000485 0.000060 True native_MD 7 19 216 + CG_AB42_3 OD2_AB42_23 1 0.000000e+00 1.630736e-06 ; 2.934452e-01 -1.630736e-06 7.591876e-04 2.013288e-04 0.000485 0.000060 True native_MD 7 19 217 CG_AB42_3 C_AB42_23 1 1.723769e-03 6.599695e-06 ; 3.955252e-01 1.125575e-01 1.733625e-03 0.000000e+00 0.000485 0.000060 True native_MD 7 19 218 CG_AB42_3 O_AB42_23 1 7.691393e-04 1.291795e-06 ; 3.447716e-01 1.144871e-01 1.836680e-03 4.729729e-05 0.000485 0.001191 True native_MD 7 19 219 CG_AB42_3 N_AB42_24 1 1.656176e-03 6.366229e-06 ; 3.957880e-01 1.077137e-01 1.499693e-03 0.000000e+00 0.000485 0.000060 True native_MD 7 19 220 @@ -5771,7 +5771,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CG_AB42_3 O_AB42_36 1 3.674278e-04 3.064516e-07 ; 3.068068e-01 1.101342e-01 1.612354e-03 1.275323e-04 0.000485 0.001191 True native_MD 7 19 318 CG_AB42_3 N_AB42_37 1 9.129855e-04 1.551619e-06 ; 3.454513e-01 1.343021e-01 3.323248e-03 5.727949e-05 0.000485 0.000060 True native_MD 7 19 319 CG_AB42_3 CA_AB42_37 1 1.605814e-03 4.078002e-06 ; 3.693675e-01 1.580823e-01 6.770590e-03 3.567535e-04 0.000485 0.001190 True native_MD 7 19 321 - CG_AB42_3 C_AB42_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 19 322 + CG_AB42_3 C_AB42_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 19 322 CG_AB42_3 O_AB42_37 1 3.280493e-04 2.251805e-07 ; 2.970060e-01 1.194779e-01 2.132543e-03 5.199272e-05 0.000485 0.001191 True native_MD 7 19 323 CG_AB42_3 N_AB42_38 1 6.187832e-04 9.882654e-07 ; 3.418922e-01 9.685979e-02 2.721736e-03 1.499656e-04 0.000485 0.000060 True native_MD 7 19 324 CG_AB42_3 CA_AB42_38 1 1.363950e-03 2.993338e-06 ; 3.604897e-01 1.553751e-01 6.243700e-03 2.639296e-04 0.000485 0.001190 True native_MD 7 19 326 @@ -5805,10 +5805,10 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CG_AB42_3 C_AB42_42 1 2.214398e-03 1.289838e-05 ; 4.241765e-01 9.504212e-02 1.991115e-03 1.158419e-04 0.000485 0.000060 True native_MD 7 19 358 CG_AB42_3 O1_AB42_42 1 5.147044e-04 8.466451e-07 ; 3.435769e-01 7.822658e-02 8.524703e-04 8.203411e-05 0.000485 0.000060 True native_MD 7 19 359 CG_AB42_3 O2_AB42_42 1 5.147044e-04 8.466451e-07 ; 3.435769e-01 7.822658e-02 8.524703e-04 8.203411e-05 0.000485 0.000060 True native_MD 7 19 360 - CD_AB42_3 C_AB42_3 1 0.000000e+00 1.843014e-06 ; 2.964529e-01 -1.843014e-06 8.870296e-01 5.962711e-01 0.000485 0.000060 True native_MD 4 20 23 - CD_AB42_3 O_AB42_3 1 0.000000e+00 7.780743e-07 ; 2.758969e-01 -7.780743e-07 1.377494e-01 7.865392e-02 0.000485 0.000060 True native_MD 5 20 24 - CD_AB42_3 N_AB42_4 1 0.000000e+00 1.151871e-06 ; 2.850659e-01 -1.151871e-06 2.917988e-01 5.556375e-02 0.000485 0.000060 True native_MD 5 20 25 - CD_AB42_3 CA_AB42_4 1 0.000000e+00 1.006464e-05 ; 3.415033e-01 -1.006464e-05 2.641074e-01 3.523416e-02 0.000485 0.000060 True native_MD 6 20 27 + CD_AB42_3 C_AB42_3 1 0.000000e+00 1.842981e-06 ; 2.964525e-01 -1.842981e-06 8.870296e-01 5.962711e-01 0.000485 0.000060 True native_MD 4 20 23 + CD_AB42_3 O_AB42_3 1 0.000000e+00 7.780707e-07 ; 2.758968e-01 -7.780707e-07 1.377494e-01 7.865392e-02 0.000485 0.000060 True native_MD 5 20 24 + CD_AB42_3 N_AB42_4 1 0.000000e+00 1.151855e-06 ; 2.850656e-01 -1.151855e-06 2.917988e-01 5.556375e-02 0.000485 0.000060 True native_MD 5 20 25 + CD_AB42_3 CA_AB42_4 1 0.000000e+00 1.006459e-05 ; 3.415031e-01 -1.006459e-05 2.641074e-01 3.523416e-02 0.000485 0.000060 True native_MD 6 20 27 CD_AB42_3 CB_AB42_4 1 1.879529e-03 1.090982e-05 ; 4.239306e-01 8.095069e-02 6.178920e-02 5.480541e-03 0.000485 0.000060 True native_MD 7 20 28 CD_AB42_3 CG_AB42_4 1 2.481861e-03 1.177014e-05 ; 4.098900e-01 1.308318e-01 1.053952e-02 1.164400e-02 0.000485 0.003309 True native_MD 7 20 29 CD_AB42_3 CD1_AB42_4 1 1.301313e-03 3.227756e-06 ; 3.679198e-01 1.311604e-01 3.036175e-02 3.321519e-02 0.000485 0.003309 True native_MD 7 20 30 @@ -5820,7 +5820,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CD_AB42_3 O_AB42_4 1 1.844476e-03 5.077182e-06 ; 3.743619e-01 1.675187e-01 3.539023e-02 8.536601e-03 0.000485 0.002166 True native_MD 7 20 36 CD_AB42_3 N_AB42_5 1 1.233771e-03 1.760399e-06 ; 3.355285e-01 2.161714e-01 1.220165e-01 6.862669e-03 0.000485 0.002166 True native_MD 7 20 37 CD_AB42_3 CA_AB42_5 1 3.224463e-03 1.472667e-05 ; 4.073251e-01 1.765022e-01 1.871476e-01 2.132461e-02 0.000485 0.001339 True native_MD 7 20 39 - CD_AB42_3 CB_AB42_5 1 0.000000e+00 5.252332e-06 ; 3.234876e-01 -5.252332e-06 1.955845e-01 2.481796e-02 0.000485 0.000060 True native_MD 7 20 40 + CD_AB42_3 CB_AB42_5 1 0.000000e+00 5.252244e-06 ; 3.234872e-01 -5.252244e-06 1.955845e-01 2.481796e-02 0.000485 0.000060 True native_MD 7 20 40 CD_AB42_3 CG_AB42_5 1 8.906655e-04 2.512050e-06 ; 3.758826e-01 7.894798e-02 3.442376e-01 3.241886e-02 0.000485 0.000060 True native_MD 7 20 41 CD_AB42_3 CD_AB42_5 1 8.026685e-04 1.969531e-06 ; 3.672579e-01 8.178049e-02 3.484005e-01 3.014429e-02 0.000485 0.000060 True native_MD 7 20 42 CD_AB42_3 NE_AB42_5 1 5.852294e-04 3.959583e-07 ; 2.962924e-01 2.162434e-01 2.824771e-01 1.585336e-02 0.000485 0.002166 True native_MD 7 20 43 @@ -5831,7 +5831,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CD_AB42_3 O_AB42_5 1 5.712144e-04 5.355675e-07 ; 3.128498e-01 1.523085e-01 3.065061e-02 1.165530e-02 0.000485 0.002166 True native_MD 7 20 48 CD_AB42_3 N_AB42_6 1 9.587342e-04 1.283196e-06 ; 3.319702e-01 1.790784e-01 2.184533e-02 3.728357e-03 0.000485 0.002166 True native_MD 7 20 49 CD_AB42_3 CA_AB42_6 1 1.705715e-03 5.963235e-06 ; 3.895793e-01 1.219751e-01 2.676473e-02 1.559303e-02 0.000485 0.001339 True native_MD 7 20 51 - CD_AB42_3 CB_AB42_6 1 0.000000e+00 6.347142e-06 ; 3.286320e-01 -6.347142e-06 1.847402e-02 2.055496e-02 0.000485 0.000060 True native_MD 7 20 52 + CD_AB42_3 CB_AB42_6 1 0.000000e+00 6.347035e-06 ; 3.286315e-01 -6.347035e-06 1.847402e-02 2.055496e-02 0.000485 0.000060 True native_MD 7 20 52 CD_AB42_3 CG_AB42_6 1 1.754754e-03 7.635940e-06 ; 4.040555e-01 1.008114e-01 7.330396e-03 1.301637e-02 0.000485 0.002166 True native_MD 7 20 53 CD_AB42_3 ND1_AB42_6 1 1.079729e-03 3.044943e-06 ; 3.758755e-01 9.571735e-02 6.932880e-03 1.433807e-02 0.000485 0.002166 True native_MD 7 20 54 CD_AB42_3 CD2_AB42_6 1 1.081936e-03 2.112317e-06 ; 3.535300e-01 1.385428e-01 1.948490e-02 1.709079e-02 0.000485 0.003309 True native_MD 7 20 55 @@ -5841,15 +5841,15 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CD_AB42_3 O_AB42_6 1 8.076963e-04 1.679708e-06 ; 3.572709e-01 9.709624e-02 1.091468e-03 2.152285e-03 0.000485 0.002166 True native_MD 7 20 59 CD_AB42_3 N_AB42_7 1 7.732175e-04 1.550351e-06 ; 3.551033e-01 9.640804e-02 1.069219e-03 7.202009e-04 0.000485 0.002166 True native_MD 7 20 60 CD_AB42_3 CA_AB42_7 1 1.871239e-03 1.090656e-05 ; 4.242219e-01 8.026211e-02 1.729981e-03 3.511874e-03 0.000485 0.001339 True native_MD 7 20 62 - CD_AB42_3 CB_AB42_7 1 0.000000e+00 6.357136e-06 ; 3.286751e-01 -6.357136e-06 1.369641e-03 5.028425e-03 0.000485 0.000060 True native_MD 7 20 63 - CD_AB42_3 CG_AB42_7 1 0.000000e+00 2.605802e-06 ; 3.051337e-01 -2.605802e-06 5.110500e-04 3.293991e-03 0.000485 0.002166 True native_MD 7 20 64 + CD_AB42_3 CB_AB42_7 1 0.000000e+00 6.357029e-06 ; 3.286746e-01 -6.357029e-06 1.369641e-03 5.028425e-03 0.000485 0.000060 True native_MD 7 20 63 + CD_AB42_3 CG_AB42_7 1 0.000000e+00 2.605755e-06 ; 3.051332e-01 -2.605755e-06 5.110500e-04 3.293991e-03 0.000485 0.002166 True native_MD 7 20 64 CD_AB42_3 OD1_AB42_7 1 9.361152e-04 2.285429e-06 ; 3.669496e-01 9.585854e-02 1.051780e-03 2.014425e-03 0.000485 0.002166 True native_MD 7 20 65 CD_AB42_3 OD2_AB42_7 1 9.361152e-04 2.285429e-06 ; 3.669496e-01 9.585854e-02 1.051780e-03 2.014425e-03 0.000485 0.002166 True native_MD 7 20 66 CD_AB42_3 C_AB42_7 1 1.058916e-03 3.202187e-06 ; 3.802748e-01 8.754201e-02 8.200452e-04 1.051309e-03 0.000485 0.002166 True native_MD 7 20 67 CD_AB42_3 O_AB42_7 1 4.816267e-04 6.678618e-07 ; 3.339356e-01 8.683093e-02 8.027793e-04 1.619438e-03 0.000485 0.002166 True native_MD 7 20 68 CD_AB42_3 N_AB42_8 1 6.262274e-04 1.169940e-06 ; 3.509446e-01 8.379935e-02 7.331548e-04 9.472736e-04 0.000485 0.002166 True native_MD 7 20 69 CD_AB42_3 CA_AB42_8 1 1.572510e-03 5.507888e-06 ; 3.897014e-01 1.122385e-01 8.237597e-03 6.422612e-03 0.000485 0.001339 True native_MD 7 20 71 - CD_AB42_3 CB_AB42_8 1 0.000000e+00 6.332156e-06 ; 3.285673e-01 -6.332156e-06 1.059241e-02 1.030751e-02 0.000485 0.000060 True native_MD 7 20 72 + CD_AB42_3 CB_AB42_8 1 0.000000e+00 6.332050e-06 ; 3.285668e-01 -6.332050e-06 1.059241e-02 1.030751e-02 0.000485 0.000060 True native_MD 7 20 72 CD_AB42_3 OG_AB42_8 1 3.132390e-04 1.937152e-07 ; 2.918869e-01 1.266275e-01 8.407916e-03 6.895070e-03 0.000485 0.002166 True native_MD 7 20 73 CD_AB42_3 C_AB42_8 1 1.476646e-03 5.355968e-06 ; 3.919767e-01 1.017782e-01 1.255626e-03 1.549608e-03 0.000485 0.002166 True native_MD 7 20 74 CD_AB42_3 N_AB42_9 1 4.040835e-04 4.077883e-07 ; 3.167091e-01 1.001031e-01 1.194235e-03 1.221903e-03 0.000485 0.002166 True native_MD 7 20 76 @@ -5857,7 +5857,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CD_AB42_3 C_AB42_9 1 1.583408e-03 5.776024e-06 ; 3.923491e-01 1.085168e-01 1.536171e-03 1.939049e-03 0.000485 0.002166 True native_MD 7 20 79 CD_AB42_3 O_AB42_9 1 5.363620e-04 9.049801e-07 ; 3.450353e-01 7.947253e-02 6.441122e-04 1.778032e-03 0.000485 0.002166 True native_MD 7 20 80 CD_AB42_3 CA_AB42_10 1 2.991334e-03 2.154064e-05 ; 4.394394e-01 1.038511e-01 2.516435e-03 2.521766e-03 0.000485 0.001339 True native_MD 7 20 83 - CD_AB42_3 CB_AB42_10 1 0.000000e+00 6.336900e-06 ; 3.285878e-01 -6.336900e-06 2.881815e-03 3.345859e-03 0.000485 0.000060 True native_MD 7 20 84 + CD_AB42_3 CB_AB42_10 1 0.000000e+00 6.336794e-06 ; 3.285873e-01 -6.336794e-06 2.881815e-03 3.345859e-03 0.000485 0.000060 True native_MD 7 20 84 CD_AB42_3 CG_AB42_10 1 1.871806e-03 7.919195e-06 ; 4.021642e-01 1.106065e-01 1.635308e-03 2.331235e-03 0.000485 0.003309 True native_MD 7 20 85 CD_AB42_3 CD1_AB42_10 1 8.857759e-04 1.592278e-06 ; 3.486978e-01 1.231882e-01 2.480277e-03 3.444478e-03 0.000485 0.003309 True native_MD 7 20 86 CD_AB42_3 CD2_AB42_10 1 8.857759e-04 1.592278e-06 ; 3.486978e-01 1.231882e-01 2.480277e-03 3.444478e-03 0.000485 0.003309 True native_MD 7 20 87 @@ -5866,24 +5866,24 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CD_AB42_3 CZ_AB42_10 1 1.240089e-03 2.690784e-06 ; 3.598082e-01 1.428785e-01 7.313838e-03 5.634556e-03 0.000485 0.003309 True native_MD 7 20 90 CD_AB42_3 OH_AB42_10 1 3.226033e-04 2.030285e-07 ; 2.927395e-01 1.281506e-01 7.926939e-03 6.210976e-03 0.000485 0.002166 True native_MD 7 20 91 CD_AB42_3 CA_AB42_11 1 9.056872e-04 2.417193e-06 ; 3.724393e-01 8.483696e-02 8.664473e-04 1.533847e-03 0.000485 0.001339 True native_MD 7 20 96 - CD_AB42_3 CB_AB42_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 97 - CD_AB42_3 CG_AB42_11 1 0.000000e+00 6.338218e-06 ; 3.285935e-01 -6.338218e-06 1.213481e-03 1.885546e-03 0.000485 0.000060 True native_MD 7 20 98 + CD_AB42_3 CB_AB42_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 97 + CD_AB42_3 CG_AB42_11 1 0.000000e+00 6.338111e-06 ; 3.285930e-01 -6.338111e-06 1.213481e-03 1.885546e-03 0.000485 0.000060 True native_MD 7 20 98 CD_AB42_3 CD_AB42_11 1 1.677932e-03 7.522691e-06 ; 4.060690e-01 9.356548e-02 9.820257e-04 9.540679e-04 0.000485 0.002166 True native_MD 7 20 99 CD_AB42_3 OE1_AB42_11 1 6.488074e-04 1.372661e-06 ; 3.582954e-01 7.666698e-02 5.922413e-04 6.714461e-04 0.000485 0.002166 True native_MD 7 20 100 CD_AB42_3 OE2_AB42_11 1 6.488074e-04 1.372661e-06 ; 3.582954e-01 7.666698e-02 5.922413e-04 6.714461e-04 0.000485 0.002166 True native_MD 7 20 101 CD_AB42_3 CA_AB42_12 1 1.621177e-03 9.200034e-06 ; 4.223377e-01 7.141866e-02 5.061602e-04 1.101999e-03 0.000485 0.001339 True native_MD 7 20 106 - CD_AB42_3 CB_AB42_12 1 0.000000e+00 1.305905e-05 ; 3.489964e-01 -1.305905e-05 2.124254e-03 2.674617e-03 0.000485 0.000060 True native_MD 7 20 107 - CD_AB42_3 CG1_AB42_12 1 0.000000e+00 4.724333e-06 ; 3.206442e-01 -4.724333e-06 2.744481e-03 2.367273e-03 0.000485 0.000060 True native_MD 7 20 108 - CD_AB42_3 CG2_AB42_12 1 0.000000e+00 4.728167e-06 ; 3.206659e-01 -4.728167e-06 2.364503e-03 2.798582e-03 0.000485 0.000060 True native_MD 7 20 109 + CD_AB42_3 CB_AB42_12 1 0.000000e+00 1.305898e-05 ; 3.489963e-01 -1.305898e-05 2.124254e-03 2.674617e-03 0.000485 0.000060 True native_MD 7 20 107 + CD_AB42_3 CG1_AB42_12 1 0.000000e+00 4.724271e-06 ; 3.206438e-01 -4.724271e-06 2.744481e-03 2.367273e-03 0.000485 0.000060 True native_MD 7 20 108 + CD_AB42_3 CG2_AB42_12 1 0.000000e+00 4.728105e-06 ; 3.206655e-01 -4.728105e-06 2.364503e-03 2.798582e-03 0.000485 0.000060 True native_MD 7 20 109 CD_AB42_3 CA_AB42_13 1 3.559415e-03 3.348051e-05 ; 4.594472e-01 9.460308e-02 1.012997e-03 1.280165e-03 0.000485 0.001339 True native_MD 7 20 114 - CD_AB42_3 CB_AB42_13 1 0.000000e+00 6.328650e-06 ; 3.285521e-01 -6.328650e-06 2.353310e-03 1.514798e-03 0.000485 0.000060 True native_MD 7 20 115 + CD_AB42_3 CB_AB42_13 1 0.000000e+00 6.328544e-06 ; 3.285516e-01 -6.328544e-06 2.353310e-03 1.514798e-03 0.000485 0.000060 True native_MD 7 20 115 CD_AB42_3 CG_AB42_13 1 1.038184e-03 2.571318e-06 ; 3.678298e-01 1.047931e-01 1.374183e-03 1.535124e-03 0.000485 0.002166 True native_MD 7 20 116 CD_AB42_3 ND1_AB42_13 1 1.073569e-03 2.643577e-06 ; 3.674743e-01 1.089953e-01 1.558329e-03 1.819797e-03 0.000485 0.002166 True native_MD 7 20 117 CD_AB42_3 CD2_AB42_13 1 1.129589e-03 2.232870e-06 ; 3.542614e-01 1.428622e-01 4.293537e-03 2.901513e-03 0.000485 0.003309 True native_MD 7 20 118 CD_AB42_3 CE1_AB42_13 1 6.242579e-04 6.801845e-07 ; 3.207823e-01 1.432324e-01 4.854237e-03 3.700287e-03 0.000485 0.003309 True native_MD 7 20 119 CD_AB42_3 NE2_AB42_13 1 4.702860e-04 4.208236e-07 ; 3.104247e-01 1.313905e-01 4.697511e-03 3.340510e-03 0.000485 0.002166 True native_MD 7 20 120 CD_AB42_3 CA_AB42_14 1 1.785923e-03 6.422826e-06 ; 3.914208e-01 1.241479e-01 2.452404e-03 6.862809e-04 0.000485 0.001339 True native_MD 7 20 125 - CD_AB42_3 CB_AB42_14 1 0.000000e+00 6.320192e-06 ; 3.285155e-01 -6.320192e-06 3.571417e-03 1.397555e-03 0.000485 0.000060 True native_MD 7 20 126 + CD_AB42_3 CB_AB42_14 1 0.000000e+00 6.320086e-06 ; 3.285150e-01 -6.320086e-06 3.571417e-03 1.397555e-03 0.000485 0.000060 True native_MD 7 20 126 CD_AB42_3 CG_AB42_14 1 1.366366e-03 4.572881e-06 ; 3.867561e-01 1.020668e-01 1.266518e-03 1.157870e-03 0.000485 0.002166 True native_MD 7 20 127 CD_AB42_3 ND1_AB42_14 1 1.352162e-03 4.016399e-06 ; 3.791415e-01 1.138047e-01 1.799557e-03 1.589857e-03 0.000485 0.002166 True native_MD 7 20 128 CD_AB42_3 CD2_AB42_14 1 9.315805e-04 1.604233e-06 ; 3.462113e-01 1.352425e-01 3.418106e-03 1.495709e-03 0.000485 0.003309 True native_MD 7 20 129 @@ -5893,8 +5893,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CD_AB42_3 O_AB42_14 1 6.423050e-04 1.210598e-06 ; 3.514604e-01 8.519668e-02 7.644627e-04 2.523690e-04 0.000485 0.002166 True native_MD 7 20 133 CD_AB42_3 N_AB42_15 1 3.284773e-04 2.581316e-07 ; 3.037778e-01 1.044984e-01 1.362116e-03 9.337135e-05 0.000485 0.002166 True native_MD 7 20 134 CD_AB42_3 CA_AB42_15 1 1.530429e-03 4.321854e-06 ; 3.759610e-01 1.354865e-01 3.443153e-03 7.799331e-04 0.000485 0.001339 True native_MD 7 20 136 - CD_AB42_3 CB_AB42_15 1 0.000000e+00 6.317960e-06 ; 3.285058e-01 -6.317960e-06 3.353759e-03 8.274773e-04 0.000485 0.000060 True native_MD 7 20 137 - CD_AB42_3 CG_AB42_15 1 0.000000e+00 6.317977e-06 ; 3.285059e-01 -6.317977e-06 3.671801e-03 1.148269e-03 0.000485 0.000060 True native_MD 7 20 138 + CD_AB42_3 CB_AB42_15 1 0.000000e+00 6.317854e-06 ; 3.285054e-01 -6.317854e-06 3.353759e-03 8.274773e-04 0.000485 0.000060 True native_MD 7 20 137 + CD_AB42_3 CG_AB42_15 1 0.000000e+00 6.317871e-06 ; 3.285054e-01 -6.317871e-06 3.671801e-03 1.148269e-03 0.000485 0.000060 True native_MD 7 20 138 CD_AB42_3 CD_AB42_15 1 1.339476e-03 3.557472e-06 ; 3.721355e-01 1.260863e-01 2.598876e-03 1.000896e-03 0.000485 0.002166 True native_MD 7 20 139 CD_AB42_3 OE1_AB42_15 1 7.141763e-04 1.262332e-06 ; 3.477187e-01 1.010130e-01 1.227203e-03 9.516559e-04 0.000485 0.002166 True native_MD 7 20 140 CD_AB42_3 NE2_AB42_15 1 5.097562e-04 4.674985e-07 ; 3.116996e-01 1.389584e-01 3.820143e-03 1.436074e-03 0.000485 0.002166 True native_MD 7 20 141 @@ -5902,23 +5902,23 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CD_AB42_3 O_AB42_15 1 8.359982e-04 2.167165e-06 ; 3.706361e-01 8.062296e-02 6.666736e-04 5.667967e-05 0.000485 0.002166 True native_MD 7 20 143 CD_AB42_3 N_AB42_16 1 5.184284e-04 8.466992e-07 ; 3.431679e-01 7.935760e-02 6.419005e-04 6.335191e-05 0.000485 0.002166 True native_MD 7 20 144 CD_AB42_3 CA_AB42_16 1 2.871959e-03 1.574982e-05 ; 4.199358e-01 1.309245e-01 3.003761e-03 5.528997e-04 0.000485 0.001339 True native_MD 7 20 146 - CD_AB42_3 CB_AB42_16 1 0.000000e+00 6.310563e-06 ; 3.284738e-01 -6.310563e-06 4.350931e-03 6.568072e-04 0.000485 0.000060 True native_MD 7 20 147 + CD_AB42_3 CB_AB42_16 1 0.000000e+00 6.310457e-06 ; 3.284733e-01 -6.310457e-06 4.350931e-03 6.568072e-04 0.000485 0.000060 True native_MD 7 20 147 CD_AB42_3 CG_AB42_16 1 5.474285e-04 1.025844e-06 ; 3.511228e-01 7.303202e-02 8.272186e-03 9.299240e-04 0.000485 0.000060 True native_MD 7 20 148 CD_AB42_3 CD_AB42_16 1 7.040630e-04 1.618591e-06 ; 3.632907e-01 7.656424e-02 1.544668e-02 1.562267e-03 0.000485 0.000060 True native_MD 7 20 149 CD_AB42_3 CE_AB42_16 1 6.037239e-04 1.239676e-06 ; 3.565154e-01 7.350361e-02 2.026121e-02 2.245761e-03 0.000485 0.000060 True native_MD 7 20 150 CD_AB42_3 NZ_AB42_16 1 4.750261e-04 2.983658e-07 ; 2.926433e-01 1.890715e-01 1.711521e-02 1.384449e-03 0.000485 0.002166 True native_MD 7 20 151 CD_AB42_3 CA_AB42_17 1 2.168793e-03 1.231954e-05 ; 4.224054e-01 9.545121e-02 1.039037e-03 3.870019e-04 0.000485 0.001339 True native_MD 7 20 156 - CD_AB42_3 CB_AB42_17 1 0.000000e+00 6.322684e-06 ; 3.285263e-01 -6.322684e-06 2.166535e-03 3.861782e-04 0.000485 0.000060 True native_MD 7 20 157 - CD_AB42_3 CG_AB42_17 1 0.000000e+00 1.301669e-05 ; 3.489019e-01 -1.301669e-05 3.659932e-03 9.648477e-04 0.000485 0.000060 True native_MD 7 20 158 - CD_AB42_3 CD1_AB42_17 1 0.000000e+00 4.708847e-06 ; 3.205565e-01 -4.708847e-06 4.786140e-03 1.132174e-03 0.000485 0.000060 True native_MD 7 20 159 - CD_AB42_3 CD2_AB42_17 1 0.000000e+00 4.717949e-06 ; 3.206081e-01 -4.717949e-06 2.790894e-03 1.062951e-03 0.000485 0.000060 True native_MD 7 20 160 + CD_AB42_3 CB_AB42_17 1 0.000000e+00 6.322578e-06 ; 3.285258e-01 -6.322578e-06 2.166535e-03 3.861782e-04 0.000485 0.000060 True native_MD 7 20 157 + CD_AB42_3 CG_AB42_17 1 0.000000e+00 1.301662e-05 ; 3.489018e-01 -1.301662e-05 3.659932e-03 9.648477e-04 0.000485 0.000060 True native_MD 7 20 158 + CD_AB42_3 CD1_AB42_17 1 0.000000e+00 4.708785e-06 ; 3.205561e-01 -4.708785e-06 4.786140e-03 1.132174e-03 0.000485 0.000060 True native_MD 7 20 159 + CD_AB42_3 CD2_AB42_17 1 0.000000e+00 4.717888e-06 ; 3.206077e-01 -4.717888e-06 2.790894e-03 1.062951e-03 0.000485 0.000060 True native_MD 7 20 160 CD_AB42_3 CA_AB42_18 1 1.714927e-03 6.900154e-06 ; 3.988126e-01 1.065547e-01 1.448568e-03 2.879522e-04 0.000485 0.001339 True native_MD 7 20 165 - CD_AB42_3 CB_AB42_18 1 0.000000e+00 1.301567e-05 ; 3.488997e-01 -1.301567e-05 3.817787e-03 1.044964e-03 0.000485 0.000060 True native_MD 7 20 166 - CD_AB42_3 CG1_AB42_18 1 0.000000e+00 4.716839e-06 ; 3.206018e-01 -4.716839e-06 3.022321e-03 1.059394e-03 0.000485 0.000060 True native_MD 7 20 167 - CD_AB42_3 CG2_AB42_18 1 0.000000e+00 4.712939e-06 ; 3.205797e-01 -4.712939e-06 3.799239e-03 1.011281e-03 0.000485 0.000060 True native_MD 7 20 168 + CD_AB42_3 CB_AB42_18 1 0.000000e+00 1.301561e-05 ; 3.488995e-01 -1.301561e-05 3.817787e-03 1.044964e-03 0.000485 0.000060 True native_MD 7 20 166 + CD_AB42_3 CG1_AB42_18 1 0.000000e+00 4.716777e-06 ; 3.206014e-01 -4.716777e-06 3.022321e-03 1.059394e-03 0.000485 0.000060 True native_MD 7 20 167 + CD_AB42_3 CG2_AB42_18 1 0.000000e+00 4.712878e-06 ; 3.205793e-01 -4.712878e-06 3.799239e-03 1.011281e-03 0.000485 0.000060 True native_MD 7 20 168 CD_AB42_3 O_AB42_18 1 7.487196e-04 1.792557e-06 ; 3.657567e-01 7.818178e-02 6.197065e-04 1.174076e-04 0.000485 0.002166 True native_MD 7 20 170 CD_AB42_3 CA_AB42_19 1 1.667417e-03 5.551945e-06 ; 3.864264e-01 1.251939e-01 2.530390e-03 8.420610e-04 0.000485 0.001339 True native_MD 7 20 173 - CD_AB42_3 CB_AB42_19 1 0.000000e+00 6.324761e-06 ; 3.285353e-01 -6.324761e-06 2.762374e-03 1.309957e-03 0.000485 0.000060 True native_MD 7 20 174 + CD_AB42_3 CB_AB42_19 1 0.000000e+00 6.324655e-06 ; 3.285348e-01 -6.324655e-06 2.762374e-03 1.309957e-03 0.000485 0.000060 True native_MD 7 20 174 CD_AB42_3 CG_AB42_19 1 2.274049e-03 1.360794e-05 ; 4.260875e-01 9.500517e-02 1.025260e-03 7.206649e-04 0.000485 0.003309 True native_MD 7 20 175 CD_AB42_3 CD1_AB42_19 1 1.192394e-03 3.039084e-06 ; 3.695902e-01 1.169599e-01 1.977755e-03 1.156449e-03 0.000485 0.003309 True native_MD 7 20 176 CD_AB42_3 CD2_AB42_19 1 1.192394e-03 3.039084e-06 ; 3.695902e-01 1.169599e-01 1.977755e-03 1.156449e-03 0.000485 0.003309 True native_MD 7 20 177 @@ -5928,7 +5928,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CD_AB42_3 C_AB42_19 1 1.299007e-03 4.031435e-06 ; 3.819220e-01 1.046413e-01 1.367953e-03 3.344111e-04 0.000485 0.002166 True native_MD 7 20 181 CD_AB42_3 N_AB42_20 1 3.155146e-04 2.229122e-07 ; 2.984368e-01 1.116465e-01 1.687003e-03 3.040014e-04 0.000485 0.002166 True native_MD 7 20 183 CD_AB42_3 CA_AB42_20 1 1.129039e-03 2.231514e-06 ; 3.542543e-01 1.428099e-01 4.286824e-03 1.031146e-03 0.000485 0.001339 True native_MD 7 20 185 - CD_AB42_3 CB_AB42_20 1 0.000000e+00 6.315074e-06 ; 3.284933e-01 -6.315074e-06 4.259714e-03 1.277804e-03 0.000485 0.000060 True native_MD 7 20 186 + CD_AB42_3 CB_AB42_20 1 0.000000e+00 6.314968e-06 ; 3.284929e-01 -6.314968e-06 4.259714e-03 1.277804e-03 0.000485 0.000060 True native_MD 7 20 186 CD_AB42_3 CG_AB42_20 1 2.063164e-03 1.021305e-05 ; 4.128291e-01 1.041962e-01 1.349854e-03 7.247692e-04 0.000485 0.003309 True native_MD 7 20 187 CD_AB42_3 CD1_AB42_20 1 1.196831e-03 2.842120e-06 ; 3.652596e-01 1.259979e-01 2.592004e-03 1.188475e-03 0.000485 0.003309 True native_MD 7 20 188 CD_AB42_3 CD2_AB42_20 1 1.196831e-03 2.842120e-06 ; 3.652596e-01 1.259979e-01 2.592004e-03 1.188475e-03 0.000485 0.003309 True native_MD 7 20 189 @@ -5939,15 +5939,15 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CD_AB42_3 O_AB42_20 1 8.726752e-04 1.828486e-06 ; 3.577172e-01 1.041247e-01 1.346967e-03 2.973580e-04 0.000485 0.002166 True native_MD 7 20 194 CD_AB42_3 N_AB42_21 1 4.997654e-04 5.349551e-07 ; 3.198344e-01 1.167226e-01 1.963759e-03 2.237072e-04 0.000485 0.002166 True native_MD 7 20 195 CD_AB42_3 CA_AB42_21 1 2.889930e-03 1.411230e-05 ; 4.118937e-01 1.479506e-01 4.999745e-03 1.089870e-03 0.000485 0.001339 True native_MD 7 20 197 - CD_AB42_3 CB_AB42_21 1 0.000000e+00 4.710283e-06 ; 3.205646e-01 -4.710283e-06 5.096413e-03 1.746444e-03 0.000485 0.000060 True native_MD 7 20 198 + CD_AB42_3 CB_AB42_21 1 0.000000e+00 4.710222e-06 ; 3.205643e-01 -4.710222e-06 5.096413e-03 1.746444e-03 0.000485 0.000060 True native_MD 7 20 198 CD_AB42_3 CA_AB42_22 1 3.375792e-03 3.068866e-05 ; 4.568431e-01 9.283537e-02 9.608018e-04 3.871085e-04 0.000485 0.001339 True native_MD 7 20 203 - CD_AB42_3 CB_AB42_22 1 0.000000e+00 6.327067e-06 ; 3.285453e-01 -6.327067e-06 1.402011e-03 3.136092e-04 0.000485 0.000060 True native_MD 7 20 204 - CD_AB42_3 CG_AB42_22 1 0.000000e+00 6.328301e-06 ; 3.285506e-01 -6.328301e-06 1.417953e-03 5.242988e-04 0.000485 0.000060 True native_MD 7 20 205 + CD_AB42_3 CB_AB42_22 1 0.000000e+00 6.326961e-06 ; 3.285448e-01 -6.326961e-06 1.402011e-03 3.136092e-04 0.000485 0.000060 True native_MD 7 20 204 + CD_AB42_3 CG_AB42_22 1 0.000000e+00 6.328194e-06 ; 3.285501e-01 -6.328194e-06 1.417953e-03 5.242988e-04 0.000485 0.000060 True native_MD 7 20 205 CD_AB42_3 CD_AB42_22 1 1.117320e-03 3.324314e-06 ; 3.792458e-01 9.388429e-02 9.914396e-04 5.310452e-04 0.000485 0.002166 True native_MD 7 20 206 CD_AB42_3 OE1_AB42_22 1 4.456367e-04 6.331237e-07 ; 3.352880e-01 7.841755e-02 6.240943e-04 5.027911e-04 0.000485 0.002166 True native_MD 7 20 207 CD_AB42_3 OE2_AB42_22 1 4.456367e-04 6.331237e-07 ; 3.352880e-01 7.841755e-02 6.240943e-04 5.027911e-04 0.000485 0.002166 True native_MD 7 20 208 CD_AB42_3 CA_AB42_23 1 1.979642e-03 1.115956e-05 ; 4.218682e-01 8.779425e-02 8.262589e-04 3.190563e-04 0.000485 0.001339 True native_MD 7 20 213 - CD_AB42_3 CB_AB42_23 1 0.000000e+00 6.330265e-06 ; 3.285591e-01 -6.330265e-06 1.202760e-03 6.192250e-04 0.000485 0.000060 True native_MD 7 20 214 + CD_AB42_3 CB_AB42_23 1 0.000000e+00 6.330159e-06 ; 3.285586e-01 -6.330159e-06 1.202760e-03 6.192250e-04 0.000485 0.000060 True native_MD 7 20 214 CD_AB42_3 CG_AB42_23 1 1.546023e-03 7.917959e-06 ; 4.151766e-01 7.546726e-02 5.713553e-04 2.297106e-04 0.000485 0.002166 True native_MD 7 20 215 CD_AB42_3 OD1_AB42_23 1 4.080154e-04 5.326019e-07 ; 3.305885e-01 7.814307e-02 6.189890e-04 2.046221e-04 0.000485 0.002166 True native_MD 7 20 216 CD_AB42_3 OD2_AB42_23 1 4.080154e-04 5.326019e-07 ; 3.305885e-01 7.814307e-02 6.189890e-04 2.046221e-04 0.000485 0.002166 True native_MD 7 20 217 @@ -5955,9 +5955,9 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CD_AB42_3 O_AB42_23 1 9.946900e-04 3.077503e-06 ; 3.817260e-01 8.037426e-02 6.617303e-04 5.003439e-05 0.000485 0.002166 True native_MD 7 20 219 CD_AB42_3 N_AB42_24 1 1.232868e-03 4.812624e-06 ; 3.968054e-01 7.895708e-02 6.342527e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 20 220 CD_AB42_3 CA_AB42_24 1 1.182246e-03 2.492632e-06 ; 3.580896e-01 1.401837e-01 3.962819e-03 1.088748e-04 0.000485 0.001339 True native_MD 7 20 222 - CD_AB42_3 CB_AB42_24 1 0.000000e+00 1.298192e-05 ; 3.488242e-01 -1.298192e-05 6.270314e-03 9.112605e-04 0.000485 0.000060 True native_MD 7 20 223 + CD_AB42_3 CB_AB42_24 1 0.000000e+00 1.298185e-05 ; 3.488240e-01 -1.298185e-05 6.270314e-03 9.112605e-04 0.000485 0.000060 True native_MD 7 20 223 CD_AB42_3 CG1_AB42_24 1 5.843137e-04 1.176870e-06 ; 3.553697e-01 7.252767e-02 5.461181e-03 6.232592e-04 0.000485 0.000060 True native_MD 7 20 224 - CD_AB42_3 CG2_AB42_24 1 0.000000e+00 4.710099e-06 ; 3.205636e-01 -4.710099e-06 4.270083e-03 8.810499e-04 0.000485 0.000060 True native_MD 7 20 225 + CD_AB42_3 CG2_AB42_24 1 0.000000e+00 4.710037e-06 ; 3.205632e-01 -4.710037e-06 4.270083e-03 8.810499e-04 0.000485 0.000060 True native_MD 7 20 225 CD_AB42_3 C_AB42_24 1 1.674402e-03 5.249491e-06 ; 3.825688e-01 1.335187e-01 3.246248e-03 5.002611e-05 0.000485 0.002166 True native_MD 7 20 226 CD_AB42_3 O_AB42_24 1 3.558467e-04 3.564988e-07 ; 3.163243e-01 8.879893e-02 8.514784e-04 1.334945e-04 0.000485 0.002166 True native_MD 7 20 227 CD_AB42_3 N_AB42_25 1 5.290676e-04 4.842446e-07 ; 3.115963e-01 1.445099e-01 4.510560e-03 1.703646e-04 0.000485 0.002166 True native_MD 7 20 228 @@ -6006,7 +6006,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CD_AB42_3 CA_AB42_32 1 1.387780e-03 3.908448e-06 ; 3.757918e-01 1.231905e-01 2.383138e-03 2.580751e-04 0.000485 0.001339 True native_MD 7 20 281 CD_AB42_3 CB_AB42_32 1 1.983300e-03 1.380980e-05 ; 4.369849e-01 7.120816e-02 2.946975e-03 3.498709e-04 0.000485 0.000060 True native_MD 7 20 282 CD_AB42_3 CG1_AB42_32 1 1.514293e-03 6.266991e-06 ; 4.006897e-01 9.147465e-02 2.253352e-03 1.458692e-04 0.000485 0.000060 True native_MD 7 20 283 - CD_AB42_3 CG2_AB42_32 1 0.000000e+00 4.715936e-06 ; 3.205967e-01 -4.715936e-06 2.737633e-03 5.837318e-04 0.000485 0.000060 True native_MD 7 20 284 + CD_AB42_3 CG2_AB42_32 1 0.000000e+00 4.715874e-06 ; 3.205963e-01 -4.715874e-06 2.737633e-03 5.837318e-04 0.000485 0.000060 True native_MD 7 20 284 CD_AB42_3 CD_AB42_32 1 9.999408e-04 3.225250e-06 ; 3.843836e-01 7.750420e-02 4.672928e-03 4.595078e-04 0.000485 0.000060 True native_MD 7 20 285 CD_AB42_3 C_AB42_32 1 9.310715e-04 1.911587e-06 ; 3.565074e-01 1.133736e-01 1.776488e-03 6.176504e-05 0.000485 0.002166 True native_MD 7 20 286 CD_AB42_3 N_AB42_33 1 3.341626e-04 2.317025e-07 ; 2.975058e-01 1.204828e-01 2.197648e-03 9.996409e-05 0.000485 0.002166 True native_MD 7 20 288 @@ -6024,12 +6024,12 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CD_AB42_3 CB_AB42_35 1 1.263759e-03 3.521160e-06 ; 3.751200e-01 1.133921e-01 3.934091e-03 1.321678e-04 0.000485 0.000060 True native_MD 7 20 305 CD_AB42_3 CG_AB42_35 1 1.182904e-03 4.408832e-06 ; 3.937576e-01 7.934430e-02 4.003072e-03 3.725478e-04 0.000485 0.000060 True native_MD 7 20 306 CD_AB42_3 SD_AB42_35 1 1.202387e-03 2.795339e-06 ; 3.639695e-01 1.292986e-01 2.861110e-03 2.823507e-04 0.000485 0.002166 True native_MD 7 20 307 - CD_AB42_3 CE_AB42_35 1 0.000000e+00 4.704370e-06 ; 3.205311e-01 -4.704370e-06 5.372501e-03 7.713541e-04 0.000485 0.000060 True native_MD 7 20 308 + CD_AB42_3 CE_AB42_35 1 0.000000e+00 4.704309e-06 ; 3.205307e-01 -4.704309e-06 5.372501e-03 7.713541e-04 0.000485 0.000060 True native_MD 7 20 308 CD_AB42_3 C_AB42_35 1 1.795880e-03 1.095532e-05 ; 4.274559e-01 7.359862e-02 5.402816e-04 9.997952e-05 0.000485 0.002166 True native_MD 7 20 309 CD_AB42_3 O_AB42_35 1 5.905466e-04 1.041791e-06 ; 3.476064e-01 8.368883e-02 7.307341e-04 1.332662e-04 0.000485 0.002166 True native_MD 7 20 310 CD_AB42_3 CA_AB42_36 1 2.116646e-03 8.527126e-06 ; 3.988954e-01 1.313511e-01 3.042356e-03 3.181940e-04 0.000485 0.001339 True native_MD 7 20 313 - CD_AB42_3 CB_AB42_36 1 0.000000e+00 1.300668e-05 ; 3.488796e-01 -1.300668e-05 4.213387e-03 7.514535e-04 0.000485 0.000060 True native_MD 7 20 314 - CD_AB42_3 CG1_AB42_36 1 0.000000e+00 4.712129e-06 ; 3.205751e-01 -4.712129e-06 3.465103e-03 5.056733e-04 0.000485 0.000060 True native_MD 7 20 315 + CD_AB42_3 CB_AB42_36 1 0.000000e+00 1.300661e-05 ; 3.488794e-01 -1.300661e-05 4.213387e-03 7.514535e-04 0.000485 0.000060 True native_MD 7 20 314 + CD_AB42_3 CG1_AB42_36 1 0.000000e+00 4.712067e-06 ; 3.205747e-01 -4.712067e-06 3.465103e-03 5.056733e-04 0.000485 0.000060 True native_MD 7 20 315 CD_AB42_3 CG2_AB42_36 1 7.770573e-04 1.994985e-06 ; 3.700392e-01 7.566698e-02 3.381890e-03 3.513509e-04 0.000485 0.000060 True native_MD 7 20 316 CD_AB42_3 C_AB42_36 1 1.349428e-03 4.633097e-06 ; 3.884069e-01 9.825806e-02 1.130084e-03 8.276234e-05 0.000485 0.002166 True native_MD 7 20 317 CD_AB42_3 N_AB42_37 1 4.743256e-04 5.163464e-07 ; 3.207333e-01 1.089311e-01 1.555338e-03 1.701586e-04 0.000485 0.002166 True native_MD 7 20 319 @@ -6044,7 +6044,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CD_AB42_3 CA_AB42_39 1 3.251809e-03 2.025676e-05 ; 4.289508e-01 1.305029e-01 2.966101e-03 2.977799e-04 0.000485 0.001339 True native_MD 7 20 331 CD_AB42_3 CB_AB42_39 1 1.763229e-03 1.074996e-05 ; 4.274149e-01 7.230208e-02 3.627840e-03 4.168330e-04 0.000485 0.000060 True native_MD 7 20 332 CD_AB42_3 CG1_AB42_39 1 5.789975e-04 1.165987e-06 ; 3.553608e-01 7.187861e-02 3.375774e-03 3.928177e-04 0.000485 0.000060 True native_MD 7 20 333 - CD_AB42_3 CG2_AB42_39 1 0.000000e+00 4.714474e-06 ; 3.205884e-01 -4.714474e-06 2.907836e-03 4.446691e-04 0.000485 0.000060 True native_MD 7 20 334 + CD_AB42_3 CG2_AB42_39 1 0.000000e+00 4.714413e-06 ; 3.205880e-01 -4.714413e-06 2.907836e-03 4.446691e-04 0.000485 0.000060 True native_MD 7 20 334 CD_AB42_3 CA_AB42_40 1 2.431598e-03 1.598979e-05 ; 4.328378e-01 9.244443e-02 9.496267e-04 1.963423e-04 0.000485 0.001339 True native_MD 7 20 339 CD_AB42_3 CB_AB42_40 1 1.781086e-03 1.018823e-05 ; 4.228980e-01 7.784145e-02 6.096263e-03 5.934504e-04 0.000485 0.000060 True native_MD 7 20 340 CD_AB42_3 CG1_AB42_40 1 1.039384e-03 3.135044e-06 ; 3.801117e-01 8.614860e-02 4.658574e-03 3.536783e-04 0.000485 0.000060 True native_MD 7 20 341 @@ -6065,7 +6065,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CD_AB42_3 O2_AB42_42 1 7.224582e-04 1.739971e-06 ; 3.661184e-01 7.499348e-02 5.633116e-04 3.654727e-06 0.000485 0.002166 True native_MD 7 20 360 OE1_AB42_3 OE1_AB42_3 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 21 21 OE1_AB42_3 OE2_AB42_3 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 21 22 - OE1_AB42_3 C_AB42_3 1 0.000000e+00 5.828560e-07 ; 2.693344e-01 -5.828560e-07 1.552341e-01 2.594634e-02 0.000485 0.000060 True native_MD 5 21 23 + OE1_AB42_3 C_AB42_3 1 0.000000e+00 5.828534e-07 ; 2.693343e-01 -5.828534e-07 1.552341e-01 2.594634e-02 0.000485 0.000060 True native_MD 5 21 23 OE1_AB42_3 O_AB42_3 1 0.000000e+00 1.401659e-06 ; 2.897667e-01 -1.401659e-06 1.163284e-01 5.076766e-02 0.000485 0.000060 True native_MD 6 21 24 OE1_AB42_3 N_AB42_4 1 8.996974e-05 2.755614e-08 ; 2.596293e-01 7.343694e-02 1.755106e-01 1.949252e-02 0.000485 0.000060 True native_MD 6 21 25 OE1_AB42_3 H_AB42_4 1 1.079557e-05 1.206109e-10 ; 1.495169e-01 2.415709e-01 8.235678e-02 2.454463e-03 0.000485 0.005316 True native_MD 7 21 26 @@ -6094,7 +6094,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OE1_AB42_3 N_AB42_6 1 1.793972e-04 4.922999e-08 ; 2.549191e-01 1.634336e-01 1.683345e-02 4.588554e-03 0.000485 0.002166 True native_MD 7 21 49 OE1_AB42_3 H_AB42_6 1 5.253095e-06 4.749372e-11 ; 1.443345e-01 1.452561e-01 4.612415e-03 4.501319e-04 0.000485 0.005316 True native_MD 7 21 50 OE1_AB42_3 CA_AB42_6 1 3.637725e-04 3.039319e-07 ; 3.068959e-01 1.088487e-01 9.382325e-03 8.096355e-03 0.000485 0.001339 True native_MD 7 21 51 - OE1_AB42_3 CB_AB42_6 1 0.000000e+00 1.638115e-06 ; 2.935556e-01 -1.638115e-06 7.551504e-03 1.151260e-02 0.000485 0.000060 True native_MD 7 21 52 + OE1_AB42_3 CB_AB42_6 1 0.000000e+00 1.638110e-06 ; 2.935555e-01 -1.638110e-06 7.551504e-03 1.151260e-02 0.000485 0.000060 True native_MD 7 21 52 OE1_AB42_3 CG_AB42_6 1 4.785951e-04 6.883272e-07 ; 3.359731e-01 8.319201e-02 2.812940e-03 8.463123e-03 0.000485 0.002166 True native_MD 7 21 53 OE1_AB42_3 ND1_AB42_6 1 4.280711e-04 5.349917e-07 ; 3.282000e-01 8.562977e-02 3.712184e-03 1.038306e-02 0.000485 0.002166 True native_MD 7 21 54 OE1_AB42_3 CD2_AB42_6 1 4.414477e-04 4.051096e-07 ; 3.117326e-01 1.202613e-01 7.538187e-03 1.142732e-02 0.000485 0.003309 True native_MD 7 21 55 @@ -6104,8 +6104,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OE1_AB42_3 O_AB42_6 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 21 59 OE1_AB42_3 N_AB42_7 1 1.795624e-04 6.852223e-08 ; 2.693205e-01 1.176357e-01 2.169292e-03 2.328311e-03 0.000485 0.002166 True native_MD 7 21 60 OE1_AB42_3 H_AB42_7 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 21 61 - OE1_AB42_3 CA_AB42_7 1 0.000000e+00 3.368358e-06 ; 3.117309e-01 -3.368358e-06 4.965581e-04 2.325250e-03 0.000485 0.001339 True native_MD 7 21 62 - OE1_AB42_3 CB_AB42_7 1 0.000000e+00 1.635446e-06 ; 2.935157e-01 -1.635446e-06 7.157565e-04 3.041072e-03 0.000485 0.000060 True native_MD 7 21 63 + OE1_AB42_3 CA_AB42_7 1 0.000000e+00 3.368385e-06 ; 3.117311e-01 -3.368385e-06 4.965581e-04 2.325250e-03 0.000485 0.001339 True native_MD 7 21 62 + OE1_AB42_3 CB_AB42_7 1 0.000000e+00 1.635441e-06 ; 2.935156e-01 -1.635441e-06 7.157565e-04 3.041072e-03 0.000485 0.000060 True native_MD 7 21 63 OE1_AB42_3 CG_AB42_7 1 6.154582e-04 1.314803e-06 ; 3.588754e-01 7.202389e-02 5.154113e-04 1.738388e-03 0.000485 0.002166 True native_MD 7 21 64 OE1_AB42_3 OD1_AB42_7 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 21 65 OE1_AB42_3 OD2_AB42_7 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 21 66 @@ -6113,7 +6113,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OE1_AB42_3 N_AB42_8 1 1.008849e-04 2.626422e-08 ; 2.526909e-01 9.687869e-02 1.084385e-03 1.933051e-03 0.000485 0.002166 True native_MD 7 21 69 OE1_AB42_3 H_AB42_8 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 21 70 OE1_AB42_3 CA_AB42_8 1 6.734809e-04 1.083552e-06 ; 3.423109e-01 1.046504e-01 4.494227e-03 4.397423e-03 0.000485 0.001339 True native_MD 7 21 71 - OE1_AB42_3 CB_AB42_8 1 0.000000e+00 1.628869e-06 ; 2.934172e-01 -1.628869e-06 7.920912e-03 6.215371e-03 0.000485 0.000060 True native_MD 7 21 72 + OE1_AB42_3 CB_AB42_8 1 0.000000e+00 1.628864e-06 ; 2.934171e-01 -1.628864e-06 7.920912e-03 6.215371e-03 0.000485 0.000060 True native_MD 7 21 72 OE1_AB42_3 OG_AB42_8 1 9.257407e-05 1.701926e-08 ; 2.384562e-01 1.258862e-01 5.983889e-03 5.017440e-03 0.000485 0.002166 True native_MD 7 21 73 OE1_AB42_3 O_AB42_8 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 21 75 OE1_AB42_3 N_AB42_9 1 9.516357e-05 2.504057e-08 ; 2.531409e-01 9.041433e-02 9.131087e-04 2.213262e-03 0.000485 0.002166 True native_MD 7 21 76 @@ -6123,7 +6123,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OE1_AB42_3 O_AB42_9 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 21 80 OE1_AB42_3 H_AB42_10 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 21 82 OE1_AB42_3 CA_AB42_10 1 8.160215e-04 2.285434e-06 ; 3.754434e-01 7.284077e-02 6.544627e-04 1.659003e-03 0.000485 0.001339 True native_MD 7 21 83 - OE1_AB42_3 CB_AB42_10 1 0.000000e+00 1.633198e-06 ; 2.934821e-01 -1.633198e-06 1.012775e-03 1.960389e-03 0.000485 0.000060 True native_MD 7 21 84 + OE1_AB42_3 CB_AB42_10 1 0.000000e+00 1.633193e-06 ; 2.934820e-01 -1.633193e-06 1.012775e-03 1.960389e-03 0.000485 0.000060 True native_MD 7 21 84 OE1_AB42_3 CD1_AB42_10 1 2.118780e-04 1.119376e-07 ; 2.843250e-01 1.002619e-01 1.199924e-03 2.447935e-03 0.000485 0.003309 True native_MD 7 21 86 OE1_AB42_3 CD2_AB42_10 1 2.118780e-04 1.119376e-07 ; 2.843250e-01 1.002619e-01 1.199924e-03 2.447935e-03 0.000485 0.003309 True native_MD 7 21 87 OE1_AB42_3 CE1_AB42_10 1 3.699127e-04 2.496149e-07 ; 2.961615e-01 1.370465e-01 3.607707e-03 3.029060e-03 0.000485 0.003309 True native_MD 7 21 88 @@ -6132,19 +6132,19 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OE1_AB42_3 O_AB42_10 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 21 93 OE1_AB42_3 H_AB42_11 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 21 95 OE1_AB42_3 CA_AB42_11 1 7.319271e-04 1.668585e-06 ; 3.627829e-01 8.026518e-02 6.595737e-04 8.915184e-04 0.000485 0.001339 True native_MD 7 21 96 - OE1_AB42_3 CB_AB42_11 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 21 97 - OE1_AB42_3 CG_AB42_11 1 0.000000e+00 1.632669e-06 ; 2.934741e-01 -1.632669e-06 7.283922e-04 1.351586e-03 0.000485 0.000060 True native_MD 7 21 98 + OE1_AB42_3 CB_AB42_11 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 21 97 + OE1_AB42_3 CG_AB42_11 1 0.000000e+00 1.632663e-06 ; 2.934741e-01 -1.632663e-06 7.283922e-04 1.351586e-03 0.000485 0.000060 True native_MD 7 21 98 OE1_AB42_3 CD_AB42_11 1 6.064884e-04 1.231950e-06 ; 3.558731e-01 7.464347e-02 5.574422e-04 7.589449e-04 0.000485 0.002166 True native_MD 7 21 99 OE1_AB42_3 OE1_AB42_11 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 21 100 OE1_AB42_3 OE2_AB42_11 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 21 101 OE1_AB42_3 O_AB42_11 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 21 103 OE1_AB42_3 H_AB42_12 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 21 105 - OE1_AB42_3 CB_AB42_12 1 0.000000e+00 3.363739e-06 ; 3.116953e-01 -3.363739e-06 1.067611e-03 1.522665e-03 0.000485 0.000060 True native_MD 7 21 107 + OE1_AB42_3 CB_AB42_12 1 0.000000e+00 3.363767e-06 ; 3.116955e-01 -3.363767e-06 1.067611e-03 1.522665e-03 0.000485 0.000060 True native_MD 7 21 107 OE1_AB42_3 CG1_AB42_12 1 0.000000e+00 1.217758e-06 ; 2.863904e-01 -1.217758e-06 1.305022e-03 1.545235e-03 0.000485 0.000060 True native_MD 7 21 108 OE1_AB42_3 CG2_AB42_12 1 0.000000e+00 1.218541e-06 ; 2.864057e-01 -1.218541e-06 8.152077e-04 1.698580e-03 0.000485 0.000060 True native_MD 7 21 109 OE1_AB42_3 O_AB42_12 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 21 111 OE1_AB42_3 H_AB42_13 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 21 113 - OE1_AB42_3 CB_AB42_13 1 0.000000e+00 1.631197e-06 ; 2.934521e-01 -1.631197e-06 1.371423e-03 1.092386e-03 0.000485 0.000060 True native_MD 7 21 115 + OE1_AB42_3 CB_AB42_13 1 0.000000e+00 1.631191e-06 ; 2.934520e-01 -1.631191e-06 1.371423e-03 1.092386e-03 0.000485 0.000060 True native_MD 7 21 115 OE1_AB42_3 CG_AB42_13 1 4.643853e-04 6.812621e-07 ; 3.370849e-01 7.913758e-02 6.376879e-04 1.344209e-03 0.000485 0.002166 True native_MD 7 21 116 OE1_AB42_3 ND1_AB42_13 1 5.268467e-04 8.044890e-07 ; 3.393433e-01 8.625583e-02 7.890813e-04 1.266916e-03 0.000485 0.002166 True native_MD 7 21 117 OE1_AB42_3 CD2_AB42_13 1 3.463769e-04 2.396974e-07 ; 2.974078e-01 1.251338e-01 2.525837e-03 2.163004e-03 0.000485 0.003309 True native_MD 7 21 118 @@ -6153,7 +6153,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OE1_AB42_3 O_AB42_13 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 21 122 OE1_AB42_3 H_AB42_14 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 21 124 OE1_AB42_3 CA_AB42_14 1 3.495096e-04 2.974277e-07 ; 3.078367e-01 1.026779e-01 1.289893e-03 4.942584e-04 0.000485 0.001339 True native_MD 7 21 125 - OE1_AB42_3 CB_AB42_14 1 0.000000e+00 1.630251e-06 ; 2.934379e-01 -1.630251e-06 1.747576e-03 8.887874e-04 0.000485 0.000060 True native_MD 7 21 126 + OE1_AB42_3 CB_AB42_14 1 0.000000e+00 1.630245e-06 ; 2.934378e-01 -1.630245e-06 1.747576e-03 8.887874e-04 0.000485 0.000060 True native_MD 7 21 126 OE1_AB42_3 CG_AB42_14 1 5.348990e-04 8.451711e-07 ; 3.412810e-01 8.463284e-02 7.516719e-04 8.476349e-04 0.000485 0.002166 True native_MD 7 21 127 OE1_AB42_3 ND1_AB42_14 1 4.383024e-04 5.365452e-07 ; 3.270685e-01 8.951202e-02 8.698441e-04 1.043817e-03 0.000485 0.002166 True native_MD 7 21 128 OE1_AB42_3 CD2_AB42_14 1 3.852280e-04 3.231608e-07 ; 3.071026e-01 1.148040e-01 1.854184e-03 1.214620e-03 0.000485 0.003309 True native_MD 7 21 129 @@ -6164,8 +6164,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OE1_AB42_3 N_AB42_15 1 1.102521e-04 2.837293e-08 ; 2.522045e-01 1.071050e-01 1.472624e-03 2.480596e-04 0.000485 0.002166 True native_MD 7 21 134 OE1_AB42_3 H_AB42_15 1 3.009816e-06 2.874542e-11 ; 1.456593e-01 7.878639e-02 6.310211e-04 4.998354e-05 0.000485 0.005316 True native_MD 7 21 135 OE1_AB42_3 CA_AB42_15 1 4.357813e-04 4.087258e-07 ; 3.128676e-01 1.161569e-01 1.930796e-03 4.733719e-04 0.000485 0.001339 True native_MD 7 21 136 - OE1_AB42_3 CB_AB42_15 1 0.000000e+00 1.629889e-06 ; 2.934325e-01 -1.629889e-06 1.766144e-03 6.854826e-04 0.000485 0.000060 True native_MD 7 21 137 - OE1_AB42_3 CG_AB42_15 1 0.000000e+00 1.629182e-06 ; 2.934219e-01 -1.629182e-06 2.281440e-03 7.673009e-04 0.000485 0.000060 True native_MD 7 21 138 + OE1_AB42_3 CB_AB42_15 1 0.000000e+00 1.629883e-06 ; 2.934324e-01 -1.629883e-06 1.766144e-03 6.854826e-04 0.000485 0.000060 True native_MD 7 21 137 + OE1_AB42_3 CG_AB42_15 1 0.000000e+00 1.629176e-06 ; 2.934218e-01 -1.629176e-06 2.281440e-03 7.673009e-04 0.000485 0.000060 True native_MD 7 21 138 OE1_AB42_3 CD_AB42_15 1 5.080775e-04 5.697760e-07 ; 3.223263e-01 1.132650e-01 1.770725e-03 7.238134e-04 0.000485 0.002166 True native_MD 7 21 139 OE1_AB42_3 OE1_AB42_15 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 21 140 OE1_AB42_3 NE2_AB42_15 1 1.394792e-04 3.933925e-08 ; 2.560862e-01 1.236325e-01 2.414871e-03 1.059865e-03 0.000485 0.002166 True native_MD 7 21 141 @@ -6174,28 +6174,28 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OE1_AB42_3 N_AB42_16 1 1.422897e-04 5.170921e-08 ; 2.671360e-01 9.788570e-02 1.117561e-03 2.615475e-04 0.000485 0.002166 True native_MD 7 21 144 OE1_AB42_3 H_AB42_16 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 21 145 OE1_AB42_3 CA_AB42_16 1 4.141955e-04 4.044165e-07 ; 3.149710e-01 1.060528e-01 1.426973e-03 3.858033e-04 0.000485 0.001339 True native_MD 7 21 146 - OE1_AB42_3 CB_AB42_16 1 0.000000e+00 1.628316e-06 ; 2.934089e-01 -1.628316e-06 2.417929e-03 3.732916e-04 0.000485 0.000060 True native_MD 7 21 147 + OE1_AB42_3 CB_AB42_16 1 0.000000e+00 1.628310e-06 ; 2.934088e-01 -1.628310e-06 2.417929e-03 3.732916e-04 0.000485 0.000060 True native_MD 7 21 147 OE1_AB42_3 CG_AB42_16 1 2.073424e-04 1.488362e-07 ; 2.992288e-01 7.221170e-02 5.073410e-03 5.845055e-04 0.000485 0.000060 True native_MD 7 21 148 OE1_AB42_3 CD_AB42_16 1 2.706217e-04 2.456323e-07 ; 3.111624e-01 7.453836e-02 9.791455e-03 1.052197e-03 0.000485 0.000060 True native_MD 7 21 149 OE1_AB42_3 CE_AB42_16 1 2.091439e-04 1.398071e-07 ; 2.956973e-01 7.821697e-02 1.437217e-02 1.383447e-03 0.000485 0.000060 True native_MD 7 21 150 OE1_AB42_3 NZ_AB42_16 1 1.285012e-04 2.286362e-08 ; 2.371590e-01 1.805549e-01 1.326464e-02 1.045286e-03 0.000485 0.002166 True native_MD 7 21 151 OE1_AB42_3 O_AB42_16 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 21 153 OE1_AB42_3 H_AB42_17 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 21 155 - OE1_AB42_3 CB_AB42_17 1 0.000000e+00 1.630751e-06 ; 2.934454e-01 -1.630751e-06 7.023351e-04 1.499933e-04 0.000485 0.000060 True native_MD 7 21 157 - OE1_AB42_3 CG_AB42_17 1 0.000000e+00 3.358737e-06 ; 3.116566e-01 -3.358737e-06 1.934740e-03 9.019940e-04 0.000485 0.000060 True native_MD 7 21 158 - OE1_AB42_3 CD1_AB42_17 1 0.000000e+00 1.215483e-06 ; 2.863458e-01 -1.215483e-06 2.117364e-03 4.895544e-04 0.000485 0.000060 True native_MD 7 21 159 - OE1_AB42_3 CD2_AB42_17 1 0.000000e+00 1.216339e-06 ; 2.863626e-01 -1.216339e-06 1.674987e-03 7.502160e-04 0.000485 0.000060 True native_MD 7 21 160 + OE1_AB42_3 CB_AB42_17 1 0.000000e+00 1.630745e-06 ; 2.934453e-01 -1.630745e-06 7.023351e-04 1.499933e-04 0.000485 0.000060 True native_MD 7 21 157 + OE1_AB42_3 CG_AB42_17 1 0.000000e+00 3.358764e-06 ; 3.116568e-01 -3.358764e-06 1.934740e-03 9.019940e-04 0.000485 0.000060 True native_MD 7 21 158 + OE1_AB42_3 CD1_AB42_17 1 0.000000e+00 1.215484e-06 ; 2.863458e-01 -1.215484e-06 2.117364e-03 4.895544e-04 0.000485 0.000060 True native_MD 7 21 159 + OE1_AB42_3 CD2_AB42_17 1 0.000000e+00 1.216340e-06 ; 2.863626e-01 -1.216340e-06 1.674987e-03 7.502160e-04 0.000485 0.000060 True native_MD 7 21 160 OE1_AB42_3 O_AB42_17 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 21 162 OE1_AB42_3 H_AB42_18 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 21 164 OE1_AB42_3 CA_AB42_18 1 4.312868e-04 6.174799e-07 ; 3.357191e-01 7.530945e-02 5.686635e-04 2.359452e-04 0.000485 0.001339 True native_MD 7 21 165 - OE1_AB42_3 CB_AB42_18 1 0.000000e+00 3.360383e-06 ; 3.116693e-01 -3.360383e-06 1.303265e-03 7.601315e-04 0.000485 0.000060 True native_MD 7 21 166 + OE1_AB42_3 CB_AB42_18 1 0.000000e+00 3.360411e-06 ; 3.116695e-01 -3.360411e-06 1.303265e-03 7.601315e-04 0.000485 0.000060 True native_MD 7 21 166 OE1_AB42_3 CG1_AB42_18 1 0.000000e+00 1.216926e-06 ; 2.863741e-01 -1.216926e-06 1.212137e-03 7.690397e-04 0.000485 0.000060 True native_MD 7 21 167 OE1_AB42_3 CG2_AB42_18 1 0.000000e+00 1.216214e-06 ; 2.863601e-01 -1.216214e-06 1.611481e-03 5.836677e-04 0.000485 0.000060 True native_MD 7 21 168 OE1_AB42_3 O_AB42_18 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 21 170 OE1_AB42_3 N_AB42_19 1 7.440287e-05 1.855089e-08 ; 2.508780e-01 7.460270e-02 5.567624e-04 1.329672e-04 0.000485 0.002166 True native_MD 7 21 171 OE1_AB42_3 H_AB42_19 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 21 172 OE1_AB42_3 CA_AB42_19 1 4.370215e-04 4.917191e-07 ; 3.225044e-01 9.710209e-02 1.091659e-03 5.902022e-04 0.000485 0.001339 True native_MD 7 21 173 - OE1_AB42_3 CB_AB42_19 1 0.000000e+00 1.630659e-06 ; 2.934440e-01 -1.630659e-06 1.176942e-03 5.686005e-04 0.000485 0.000060 True native_MD 7 21 174 + OE1_AB42_3 CB_AB42_19 1 0.000000e+00 1.630654e-06 ; 2.934439e-01 -1.630654e-06 1.176942e-03 5.686005e-04 0.000485 0.000060 True native_MD 7 21 174 OE1_AB42_3 CD1_AB42_19 1 4.061454e-04 4.357104e-07 ; 3.199529e-01 9.464663e-02 1.014318e-03 8.913225e-04 0.000485 0.003309 True native_MD 7 21 176 OE1_AB42_3 CD2_AB42_19 1 4.061454e-04 4.357104e-07 ; 3.199529e-01 9.464663e-02 1.014318e-03 8.913225e-04 0.000485 0.003309 True native_MD 7 21 177 OE1_AB42_3 CE1_AB42_19 1 4.337850e-04 3.967484e-07 ; 3.115589e-01 1.185697e-01 2.075367e-03 1.816182e-03 0.000485 0.003309 True native_MD 7 21 178 @@ -6206,7 +6206,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OE1_AB42_3 N_AB42_20 1 1.133962e-04 2.983878e-08 ; 2.531417e-01 1.077348e-01 1.500640e-03 4.497013e-04 0.000485 0.002166 True native_MD 7 21 183 OE1_AB42_3 H_AB42_20 1 4.311183e-06 4.875584e-11 ; 1.498207e-01 9.530294e-02 1.034437e-03 1.500118e-04 0.000485 0.005316 True native_MD 7 21 184 OE1_AB42_3 CA_AB42_20 1 4.866275e-04 5.003110e-07 ; 3.176927e-01 1.183296e-01 2.060503e-03 7.419406e-04 0.000485 0.001339 True native_MD 7 21 185 - OE1_AB42_3 CB_AB42_20 1 0.000000e+00 1.629486e-06 ; 2.934264e-01 -1.629486e-06 2.085065e-03 7.575735e-04 0.000485 0.000060 True native_MD 7 21 186 + OE1_AB42_3 CB_AB42_20 1 0.000000e+00 1.629480e-06 ; 2.934263e-01 -1.629480e-06 2.085065e-03 7.575735e-04 0.000485 0.000060 True native_MD 7 21 186 OE1_AB42_3 CD1_AB42_20 1 2.294631e-04 1.810625e-07 ; 3.039853e-01 7.270044e-02 5.259529e-04 7.732141e-04 0.000485 0.003309 True native_MD 7 21 188 OE1_AB42_3 CD2_AB42_20 1 2.294631e-04 1.810625e-07 ; 3.039853e-01 7.270044e-02 5.259529e-04 7.732141e-04 0.000485 0.003309 True native_MD 7 21 189 OE1_AB42_3 CE1_AB42_20 1 4.204178e-04 4.642001e-07 ; 3.214924e-01 9.519124e-02 1.030985e-03 8.357903e-04 0.000485 0.003309 True native_MD 7 21 190 @@ -6217,19 +6217,19 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OE1_AB42_3 N_AB42_21 1 1.065713e-04 2.489828e-08 ; 2.481732e-01 1.140383e-01 1.812181e-03 3.969209e-04 0.000485 0.002166 True native_MD 7 21 195 OE1_AB42_3 H_AB42_21 1 3.266321e-06 2.790201e-11 ; 1.429759e-01 9.559213e-02 1.043428e-03 7.152374e-05 0.000485 0.005316 True native_MD 7 21 196 OE1_AB42_3 CA_AB42_21 1 5.695238e-04 6.885529e-07 ; 3.263905e-01 1.177678e-01 2.026152e-03 6.882674e-04 0.000485 0.001339 True native_MD 7 21 197 - OE1_AB42_3 CB_AB42_21 1 0.000000e+00 1.215647e-06 ; 2.863490e-01 -1.215647e-06 2.401246e-03 9.082079e-04 0.000485 0.000060 True native_MD 7 21 198 + OE1_AB42_3 CB_AB42_21 1 0.000000e+00 1.215648e-06 ; 2.863490e-01 -1.215648e-06 2.401246e-03 9.082079e-04 0.000485 0.000060 True native_MD 7 21 198 OE1_AB42_3 O_AB42_21 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 21 200 OE1_AB42_3 N_AB42_22 1 8.573454e-04 2.600806e-06 ; 3.804743e-01 7.065512e-02 4.947258e-04 1.671254e-04 0.000485 0.002166 True native_MD 7 21 201 OE1_AB42_3 H_AB42_22 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 21 202 OE1_AB42_3 CA_AB42_22 1 3.849725e-04 5.003491e-07 ; 3.303497e-01 7.405019e-02 5.476324e-04 2.478227e-04 0.000485 0.001339 True native_MD 7 21 203 - OE1_AB42_3 CB_AB42_22 1 0.000000e+00 1.630983e-06 ; 2.934489e-01 -1.630983e-06 6.887663e-04 2.788441e-04 0.000485 0.000060 True native_MD 7 21 204 - OE1_AB42_3 CG_AB42_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 21 205 + OE1_AB42_3 CB_AB42_22 1 0.000000e+00 1.630978e-06 ; 2.934488e-01 -1.630978e-06 6.887663e-04 2.788441e-04 0.000485 0.000060 True native_MD 7 21 204 + OE1_AB42_3 CG_AB42_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 21 205 OE1_AB42_3 OE1_AB42_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 21 207 OE1_AB42_3 OE2_AB42_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 21 208 OE1_AB42_3 O_AB42_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 21 210 OE1_AB42_3 H_AB42_23 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 21 212 OE1_AB42_3 CA_AB42_23 1 6.829019e-04 1.595056e-06 ; 3.642528e-01 7.309380e-02 5.321809e-04 2.134139e-04 0.000485 0.001339 True native_MD 7 21 213 - OE1_AB42_3 CB_AB42_23 1 0.000000e+00 1.631127e-06 ; 2.934510e-01 -1.631127e-06 6.615807e-04 3.400182e-04 0.000485 0.000060 True native_MD 7 21 214 + OE1_AB42_3 CB_AB42_23 1 0.000000e+00 1.631122e-06 ; 2.934510e-01 -1.631122e-06 6.615807e-04 3.400182e-04 0.000485 0.000060 True native_MD 7 21 214 OE1_AB42_3 CG_AB42_23 1 7.426213e-04 1.700237e-06 ; 3.630421e-01 8.108963e-02 6.760493e-04 3.042440e-04 0.000485 0.002166 True native_MD 7 21 215 OE1_AB42_3 OD1_AB42_23 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 21 216 OE1_AB42_3 OD2_AB42_23 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 21 217 @@ -6237,7 +6237,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OE1_AB42_3 N_AB42_24 1 5.339181e-04 7.656367e-07 ; 3.358082e-01 9.308220e-02 9.679252e-04 1.029401e-05 0.000485 0.002166 True native_MD 7 21 220 OE1_AB42_3 H_AB42_24 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 21 221 OE1_AB42_3 CA_AB42_24 1 5.419566e-04 5.948330e-07 ; 3.211726e-01 1.234451e-01 2.401369e-03 6.395008e-05 0.000485 0.001339 True native_MD 7 21 222 - OE1_AB42_3 CB_AB42_24 1 0.000000e+00 3.352921e-06 ; 3.116116e-01 -3.352921e-06 3.252741e-03 4.900850e-04 0.000485 0.000060 True native_MD 7 21 223 + OE1_AB42_3 CB_AB42_24 1 0.000000e+00 3.352948e-06 ; 3.116118e-01 -3.352948e-06 3.252741e-03 4.900850e-04 0.000485 0.000060 True native_MD 7 21 223 OE1_AB42_3 CG1_AB42_24 1 3.365433e-04 3.694091e-07 ; 3.211770e-01 7.665037e-02 3.115978e-03 3.143367e-04 0.000485 0.000060 True native_MD 7 21 224 OE1_AB42_3 CG2_AB42_24 1 0.000000e+00 1.215666e-06 ; 2.863493e-01 -1.215666e-06 1.958231e-03 4.801055e-04 0.000485 0.000060 True native_MD 7 21 225 OE1_AB42_3 C_AB42_24 1 5.357922e-04 6.332894e-07 ; 3.251629e-01 1.133263e-01 1.773974e-03 8.029075e-05 0.000485 0.002166 True native_MD 7 21 226 @@ -6288,16 +6288,16 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OE1_AB42_3 H_AB42_31 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 21 271 OE1_AB42_3 CA_AB42_31 1 8.538975e-04 1.942087e-06 ; 3.626412e-01 9.386048e-02 9.907336e-04 2.448419e-04 0.000485 0.001339 True native_MD 7 21 272 OE1_AB42_3 CB_AB42_31 1 8.189693e-04 2.232114e-06 ; 3.737445e-01 7.512057e-02 2.190249e-03 2.313005e-04 0.000485 0.000060 True native_MD 7 21 273 - OE1_AB42_3 CG1_AB42_31 1 0.000000e+00 1.629589e-06 ; 2.934280e-01 -1.629589e-06 1.513139e-03 2.484662e-04 0.000485 0.000060 True native_MD 7 21 274 + OE1_AB42_3 CG1_AB42_31 1 0.000000e+00 1.629583e-06 ; 2.934279e-01 -1.629583e-06 1.513139e-03 2.484662e-04 0.000485 0.000060 True native_MD 7 21 274 OE1_AB42_3 CG2_AB42_31 1 3.795460e-04 4.983384e-07 ; 3.309101e-01 7.226774e-02 2.348842e-03 2.701557e-04 0.000485 0.000060 True native_MD 7 21 275 OE1_AB42_3 CD_AB42_31 1 3.166537e-04 3.490143e-07 ; 3.213979e-01 7.182341e-02 3.252758e-03 3.791289e-04 0.000485 0.000060 True native_MD 7 21 276 OE1_AB42_3 O_AB42_31 1 3.812282e-04 3.446485e-07 ; 3.109557e-01 1.054226e-01 2.308942e-03 9.846251e-05 0.000485 0.000060 True native_MD 7 21 278 OE1_AB42_3 N_AB42_32 1 1.137090e-03 3.871293e-06 ; 3.878617e-01 8.349756e-02 7.265632e-04 7.349485e-05 0.000485 0.002166 True native_MD 7 21 279 OE1_AB42_3 H_AB42_32 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 21 280 OE1_AB42_3 CA_AB42_32 1 4.782392e-04 5.272972e-07 ; 3.214167e-01 1.084363e-01 1.532479e-03 2.002645e-04 0.000485 0.001339 True native_MD 7 21 281 - OE1_AB42_3 CB_AB42_32 1 0.000000e+00 3.358157e-06 ; 3.116521e-01 -3.358157e-06 1.511693e-03 3.064510e-04 0.000485 0.000060 True native_MD 7 21 282 - OE1_AB42_3 CG1_AB42_32 1 0.000000e+00 1.630813e-06 ; 2.934463e-01 -1.630813e-06 7.006261e-04 1.864922e-04 0.000485 0.000060 True native_MD 7 21 283 - OE1_AB42_3 CG2_AB42_32 1 0.000000e+00 1.215851e-06 ; 2.863530e-01 -1.215851e-06 1.669705e-03 3.440748e-04 0.000485 0.000060 True native_MD 7 21 284 + OE1_AB42_3 CB_AB42_32 1 0.000000e+00 3.358184e-06 ; 3.116523e-01 -3.358184e-06 1.511693e-03 3.064510e-04 0.000485 0.000060 True native_MD 7 21 282 + OE1_AB42_3 CG1_AB42_32 1 0.000000e+00 1.630808e-06 ; 2.934462e-01 -1.630808e-06 7.006261e-04 1.864922e-04 0.000485 0.000060 True native_MD 7 21 283 + OE1_AB42_3 CG2_AB42_32 1 0.000000e+00 1.215852e-06 ; 2.863530e-01 -1.215852e-06 1.669705e-03 3.440748e-04 0.000485 0.000060 True native_MD 7 21 284 OE1_AB42_3 CD_AB42_32 1 3.966230e-04 5.526000e-07 ; 3.341993e-01 7.116803e-02 1.548553e-03 1.840683e-04 0.000485 0.000060 True native_MD 7 21 285 OE1_AB42_3 C_AB42_32 1 5.300520e-04 7.003466e-07 ; 3.312575e-01 1.002915e-01 1.200987e-03 6.338238e-05 0.000485 0.002166 True native_MD 7 21 286 OE1_AB42_3 O_AB42_32 1 7.922988e-04 1.841875e-06 ; 3.639669e-01 8.520359e-02 1.920132e-03 1.499576e-04 0.000485 0.000060 True native_MD 7 21 287 @@ -6319,14 +6319,14 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OE1_AB42_3 H_AB42_35 1 4.066808e-06 4.709925e-11 ; 1.504158e-01 8.778763e-02 8.260951e-04 0.000000e+00 0.000485 0.005316 True native_MD 7 21 303 OE1_AB42_3 CA_AB42_35 1 5.743083e-04 8.129295e-07 ; 3.350822e-01 1.014325e-01 1.242706e-03 9.716407e-05 0.000485 0.001339 True native_MD 7 21 304 OE1_AB42_3 CB_AB42_35 1 3.058929e-04 2.699575e-07 ; 3.097094e-01 8.665296e-02 2.006961e-03 1.500857e-04 0.000485 0.000060 True native_MD 7 21 305 - OE1_AB42_3 CG_AB42_35 1 0.000000e+00 1.629212e-06 ; 2.934223e-01 -1.629212e-06 1.725815e-03 2.302980e-04 0.000485 0.000060 True native_MD 7 21 306 + OE1_AB42_3 CG_AB42_35 1 0.000000e+00 1.629206e-06 ; 2.934222e-01 -1.629206e-06 1.725815e-03 2.302980e-04 0.000485 0.000060 True native_MD 7 21 306 OE1_AB42_3 SD_AB42_35 1 6.832629e-04 1.121778e-06 ; 3.434682e-01 1.040420e-01 1.343640e-03 2.186432e-04 0.000485 0.002166 True native_MD 7 21 307 OE1_AB42_3 CE_AB42_35 1 0.000000e+00 1.215611e-06 ; 2.863483e-01 -1.215611e-06 2.027414e-03 5.041158e-04 0.000485 0.000060 True native_MD 7 21 308 OE1_AB42_3 O_AB42_35 1 5.607953e-04 1.060190e-06 ; 3.516386e-01 7.415919e-02 1.380875e-03 1.500832e-04 0.000485 0.000060 True native_MD 7 21 310 OE1_AB42_3 N_AB42_36 1 1.427445e-04 6.411327e-08 ; 2.767354e-01 7.945314e-02 6.437385e-04 1.359216e-04 0.000485 0.002166 True native_MD 7 21 311 OE1_AB42_3 H_AB42_36 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 21 312 OE1_AB42_3 CA_AB42_36 1 4.502351e-04 5.069140e-07 ; 3.225392e-01 9.997339e-02 1.189609e-03 1.513565e-04 0.000485 0.001339 True native_MD 7 21 313 - OE1_AB42_3 CB_AB42_36 1 0.000000e+00 3.356683e-06 ; 3.116407e-01 -3.356683e-06 2.040247e-03 3.965856e-04 0.000485 0.000060 True native_MD 7 21 314 + OE1_AB42_3 CB_AB42_36 1 0.000000e+00 3.356710e-06 ; 3.116409e-01 -3.356710e-06 2.040247e-03 3.965856e-04 0.000485 0.000060 True native_MD 7 21 314 OE1_AB42_3 CG1_AB42_36 1 0.000000e+00 1.215989e-06 ; 2.863557e-01 -1.215989e-06 1.606224e-03 3.936288e-04 0.000485 0.000060 True native_MD 7 21 315 OE1_AB42_3 CG2_AB42_36 1 3.304782e-04 3.261853e-07 ; 3.155394e-01 8.370690e-02 1.228871e-03 1.003681e-04 0.000485 0.000060 True native_MD 7 21 316 OE1_AB42_3 C_AB42_36 1 3.015913e-04 3.209326e-07 ; 3.195208e-01 7.085391e-02 4.976777e-04 5.330969e-05 0.000485 0.002166 True native_MD 7 21 317 @@ -6344,12 +6344,12 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OE1_AB42_3 N_AB42_39 1 1.119551e-04 3.858752e-08 ; 2.647894e-01 8.120460e-02 6.783794e-04 1.792161e-04 0.000485 0.002166 True native_MD 7 21 329 OE1_AB42_3 H_AB42_39 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 21 330 OE1_AB42_3 CA_AB42_39 1 9.611624e-04 2.435706e-06 ; 3.692365e-01 9.482192e-02 1.019653e-03 1.143872e-04 0.000485 0.001339 True native_MD 7 21 331 - OE1_AB42_3 CB_AB42_39 1 0.000000e+00 3.358019e-06 ; 3.116511e-01 -3.358019e-06 1.584092e-03 3.378381e-04 0.000485 0.000060 True native_MD 7 21 332 + OE1_AB42_3 CB_AB42_39 1 0.000000e+00 3.358046e-06 ; 3.116513e-01 -3.358046e-06 1.584092e-03 3.378381e-04 0.000485 0.000060 True native_MD 7 21 332 OE1_AB42_3 CG1_AB42_39 1 0.000000e+00 1.215865e-06 ; 2.863532e-01 -1.215865e-06 1.643295e-03 3.286608e-04 0.000485 0.000060 True native_MD 7 21 333 - OE1_AB42_3 CG2_AB42_39 1 0.000000e+00 1.216395e-06 ; 2.863637e-01 -1.216395e-06 1.234220e-03 3.555884e-04 0.000485 0.000060 True native_MD 7 21 334 + OE1_AB42_3 CG2_AB42_39 1 0.000000e+00 1.216396e-06 ; 2.863637e-01 -1.216396e-06 1.234220e-03 3.555884e-04 0.000485 0.000060 True native_MD 7 21 334 OE1_AB42_3 O_AB42_39 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 21 336 OE1_AB42_3 H_AB42_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 21 338 - OE1_AB42_3 CB_AB42_40 1 0.000000e+00 3.357122e-06 ; 3.116441e-01 -3.357122e-06 2.009695e-03 4.964731e-04 0.000485 0.000060 True native_MD 7 21 340 + OE1_AB42_3 CB_AB42_40 1 0.000000e+00 3.357149e-06 ; 3.116443e-01 -3.357149e-06 2.009695e-03 4.964731e-04 0.000485 0.000060 True native_MD 7 21 340 OE1_AB42_3 CG1_AB42_40 1 2.987574e-04 2.961175e-07 ; 3.157603e-01 7.535518e-02 1.473590e-03 1.545292e-04 0.000485 0.000060 True native_MD 7 21 341 OE1_AB42_3 CG2_AB42_40 1 0.000000e+00 1.215781e-06 ; 2.863516e-01 -1.215781e-06 1.751004e-03 3.675267e-04 0.000485 0.000060 True native_MD 7 21 342 OE1_AB42_3 O_AB42_40 1 5.261724e-04 7.838794e-07 ; 3.379508e-01 8.829717e-02 1.402695e-03 9.986065e-05 0.000485 0.000060 True native_MD 7 21 344 @@ -6370,7 +6370,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OE1_AB42_3 O1_AB42_42 1 4.350130e-04 6.595757e-07 ; 3.389433e-01 7.172654e-02 3.215305e-03 3.758515e-04 0.000485 0.000060 True native_MD 7 21 359 OE1_AB42_3 O2_AB42_42 1 4.350130e-04 6.595757e-07 ; 3.389433e-01 7.172654e-02 3.215305e-03 3.758515e-04 0.000485 0.000060 True native_MD 7 21 360 OE2_AB42_3 OE2_AB42_3 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 22 22 - OE2_AB42_3 C_AB42_3 1 0.000000e+00 5.828560e-07 ; 2.693344e-01 -5.828560e-07 1.552341e-01 2.594634e-02 0.000485 0.000060 True native_MD 5 22 23 + OE2_AB42_3 C_AB42_3 1 0.000000e+00 5.828534e-07 ; 2.693343e-01 -5.828534e-07 1.552341e-01 2.594634e-02 0.000485 0.000060 True native_MD 5 22 23 OE2_AB42_3 O_AB42_3 1 0.000000e+00 1.401659e-06 ; 2.897667e-01 -1.401659e-06 1.163284e-01 5.076766e-02 0.000485 0.000060 True native_MD 6 22 24 OE2_AB42_3 N_AB42_4 1 8.996974e-05 2.755614e-08 ; 2.596293e-01 7.343694e-02 1.755106e-01 1.949252e-02 0.000485 0.000060 True native_MD 6 22 25 OE2_AB42_3 H_AB42_4 1 1.079557e-05 1.206109e-10 ; 1.495169e-01 2.415709e-01 8.235678e-02 2.454463e-03 0.000485 0.005316 True native_MD 7 22 26 @@ -6399,7 +6399,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OE2_AB42_3 N_AB42_6 1 1.793972e-04 4.922999e-08 ; 2.549191e-01 1.634336e-01 1.683345e-02 4.588554e-03 0.000485 0.002166 True native_MD 7 22 49 OE2_AB42_3 H_AB42_6 1 5.253095e-06 4.749372e-11 ; 1.443345e-01 1.452561e-01 4.612415e-03 4.501319e-04 0.000485 0.005316 True native_MD 7 22 50 OE2_AB42_3 CA_AB42_6 1 3.637725e-04 3.039319e-07 ; 3.068959e-01 1.088487e-01 9.382325e-03 8.096355e-03 0.000485 0.001339 True native_MD 7 22 51 - OE2_AB42_3 CB_AB42_6 1 0.000000e+00 1.638115e-06 ; 2.935556e-01 -1.638115e-06 7.551504e-03 1.151260e-02 0.000485 0.000060 True native_MD 7 22 52 + OE2_AB42_3 CB_AB42_6 1 0.000000e+00 1.638110e-06 ; 2.935555e-01 -1.638110e-06 7.551504e-03 1.151260e-02 0.000485 0.000060 True native_MD 7 22 52 OE2_AB42_3 CG_AB42_6 1 4.785951e-04 6.883272e-07 ; 3.359731e-01 8.319201e-02 2.812940e-03 8.463123e-03 0.000485 0.002166 True native_MD 7 22 53 OE2_AB42_3 ND1_AB42_6 1 4.280711e-04 5.349917e-07 ; 3.282000e-01 8.562977e-02 3.712184e-03 1.038306e-02 0.000485 0.002166 True native_MD 7 22 54 OE2_AB42_3 CD2_AB42_6 1 4.414477e-04 4.051096e-07 ; 3.117326e-01 1.202613e-01 7.538187e-03 1.142732e-02 0.000485 0.003309 True native_MD 7 22 55 @@ -6409,8 +6409,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OE2_AB42_3 O_AB42_6 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 22 59 OE2_AB42_3 N_AB42_7 1 1.795624e-04 6.852223e-08 ; 2.693205e-01 1.176357e-01 2.169292e-03 2.328311e-03 0.000485 0.002166 True native_MD 7 22 60 OE2_AB42_3 H_AB42_7 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 22 61 - OE2_AB42_3 CA_AB42_7 1 0.000000e+00 3.368358e-06 ; 3.117309e-01 -3.368358e-06 4.965581e-04 2.325250e-03 0.000485 0.001339 True native_MD 7 22 62 - OE2_AB42_3 CB_AB42_7 1 0.000000e+00 1.635446e-06 ; 2.935157e-01 -1.635446e-06 7.157565e-04 3.041072e-03 0.000485 0.000060 True native_MD 7 22 63 + OE2_AB42_3 CA_AB42_7 1 0.000000e+00 3.368385e-06 ; 3.117311e-01 -3.368385e-06 4.965581e-04 2.325250e-03 0.000485 0.001339 True native_MD 7 22 62 + OE2_AB42_3 CB_AB42_7 1 0.000000e+00 1.635441e-06 ; 2.935156e-01 -1.635441e-06 7.157565e-04 3.041072e-03 0.000485 0.000060 True native_MD 7 22 63 OE2_AB42_3 CG_AB42_7 1 6.154582e-04 1.314803e-06 ; 3.588754e-01 7.202389e-02 5.154113e-04 1.738388e-03 0.000485 0.002166 True native_MD 7 22 64 OE2_AB42_3 OD1_AB42_7 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 22 65 OE2_AB42_3 OD2_AB42_7 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 22 66 @@ -6418,7 +6418,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OE2_AB42_3 N_AB42_8 1 1.008849e-04 2.626422e-08 ; 2.526909e-01 9.687869e-02 1.084385e-03 1.933051e-03 0.000485 0.002166 True native_MD 7 22 69 OE2_AB42_3 H_AB42_8 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 22 70 OE2_AB42_3 CA_AB42_8 1 6.734809e-04 1.083552e-06 ; 3.423109e-01 1.046504e-01 4.494227e-03 4.397423e-03 0.000485 0.001339 True native_MD 7 22 71 - OE2_AB42_3 CB_AB42_8 1 0.000000e+00 1.628869e-06 ; 2.934172e-01 -1.628869e-06 7.920912e-03 6.215371e-03 0.000485 0.000060 True native_MD 7 22 72 + OE2_AB42_3 CB_AB42_8 1 0.000000e+00 1.628864e-06 ; 2.934171e-01 -1.628864e-06 7.920912e-03 6.215371e-03 0.000485 0.000060 True native_MD 7 22 72 OE2_AB42_3 OG_AB42_8 1 9.257407e-05 1.701926e-08 ; 2.384562e-01 1.258862e-01 5.983889e-03 5.017440e-03 0.000485 0.002166 True native_MD 7 22 73 OE2_AB42_3 O_AB42_8 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 22 75 OE2_AB42_3 N_AB42_9 1 9.516357e-05 2.504057e-08 ; 2.531409e-01 9.041433e-02 9.131087e-04 2.213262e-03 0.000485 0.002166 True native_MD 7 22 76 @@ -6428,7 +6428,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OE2_AB42_3 O_AB42_9 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 22 80 OE2_AB42_3 H_AB42_10 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 22 82 OE2_AB42_3 CA_AB42_10 1 8.160215e-04 2.285434e-06 ; 3.754434e-01 7.284077e-02 6.544627e-04 1.659003e-03 0.000485 0.001339 True native_MD 7 22 83 - OE2_AB42_3 CB_AB42_10 1 0.000000e+00 1.633198e-06 ; 2.934821e-01 -1.633198e-06 1.012775e-03 1.960389e-03 0.000485 0.000060 True native_MD 7 22 84 + OE2_AB42_3 CB_AB42_10 1 0.000000e+00 1.633193e-06 ; 2.934820e-01 -1.633193e-06 1.012775e-03 1.960389e-03 0.000485 0.000060 True native_MD 7 22 84 OE2_AB42_3 CD1_AB42_10 1 2.118780e-04 1.119376e-07 ; 2.843250e-01 1.002619e-01 1.199924e-03 2.447935e-03 0.000485 0.003309 True native_MD 7 22 86 OE2_AB42_3 CD2_AB42_10 1 2.118780e-04 1.119376e-07 ; 2.843250e-01 1.002619e-01 1.199924e-03 2.447935e-03 0.000485 0.003309 True native_MD 7 22 87 OE2_AB42_3 CE1_AB42_10 1 3.699127e-04 2.496149e-07 ; 2.961615e-01 1.370465e-01 3.607707e-03 3.029060e-03 0.000485 0.003309 True native_MD 7 22 88 @@ -6437,19 +6437,19 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OE2_AB42_3 O_AB42_10 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 22 93 OE2_AB42_3 H_AB42_11 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 22 95 OE2_AB42_3 CA_AB42_11 1 7.319271e-04 1.668585e-06 ; 3.627829e-01 8.026518e-02 6.595737e-04 8.915184e-04 0.000485 0.001339 True native_MD 7 22 96 - OE2_AB42_3 CB_AB42_11 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 22 97 - OE2_AB42_3 CG_AB42_11 1 0.000000e+00 1.632669e-06 ; 2.934741e-01 -1.632669e-06 7.283922e-04 1.351586e-03 0.000485 0.000060 True native_MD 7 22 98 + OE2_AB42_3 CB_AB42_11 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 22 97 + OE2_AB42_3 CG_AB42_11 1 0.000000e+00 1.632663e-06 ; 2.934741e-01 -1.632663e-06 7.283922e-04 1.351586e-03 0.000485 0.000060 True native_MD 7 22 98 OE2_AB42_3 CD_AB42_11 1 6.064884e-04 1.231950e-06 ; 3.558731e-01 7.464347e-02 5.574422e-04 7.589449e-04 0.000485 0.002166 True native_MD 7 22 99 OE2_AB42_3 OE1_AB42_11 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 22 100 OE2_AB42_3 OE2_AB42_11 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 22 101 OE2_AB42_3 O_AB42_11 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 22 103 OE2_AB42_3 H_AB42_12 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 22 105 - OE2_AB42_3 CB_AB42_12 1 0.000000e+00 3.363739e-06 ; 3.116953e-01 -3.363739e-06 1.067611e-03 1.522665e-03 0.000485 0.000060 True native_MD 7 22 107 + OE2_AB42_3 CB_AB42_12 1 0.000000e+00 3.363767e-06 ; 3.116955e-01 -3.363767e-06 1.067611e-03 1.522665e-03 0.000485 0.000060 True native_MD 7 22 107 OE2_AB42_3 CG1_AB42_12 1 0.000000e+00 1.217758e-06 ; 2.863904e-01 -1.217758e-06 1.305022e-03 1.545235e-03 0.000485 0.000060 True native_MD 7 22 108 OE2_AB42_3 CG2_AB42_12 1 0.000000e+00 1.218541e-06 ; 2.864057e-01 -1.218541e-06 8.152077e-04 1.698580e-03 0.000485 0.000060 True native_MD 7 22 109 OE2_AB42_3 O_AB42_12 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 22 111 OE2_AB42_3 H_AB42_13 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 22 113 - OE2_AB42_3 CB_AB42_13 1 0.000000e+00 1.631197e-06 ; 2.934521e-01 -1.631197e-06 1.371423e-03 1.092386e-03 0.000485 0.000060 True native_MD 7 22 115 + OE2_AB42_3 CB_AB42_13 1 0.000000e+00 1.631191e-06 ; 2.934520e-01 -1.631191e-06 1.371423e-03 1.092386e-03 0.000485 0.000060 True native_MD 7 22 115 OE2_AB42_3 CG_AB42_13 1 4.643853e-04 6.812621e-07 ; 3.370849e-01 7.913758e-02 6.376879e-04 1.344209e-03 0.000485 0.002166 True native_MD 7 22 116 OE2_AB42_3 ND1_AB42_13 1 5.268467e-04 8.044890e-07 ; 3.393433e-01 8.625583e-02 7.890813e-04 1.266916e-03 0.000485 0.002166 True native_MD 7 22 117 OE2_AB42_3 CD2_AB42_13 1 3.463769e-04 2.396974e-07 ; 2.974078e-01 1.251338e-01 2.525837e-03 2.163004e-03 0.000485 0.003309 True native_MD 7 22 118 @@ -6458,7 +6458,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OE2_AB42_3 O_AB42_13 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 22 122 OE2_AB42_3 H_AB42_14 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 22 124 OE2_AB42_3 CA_AB42_14 1 3.495096e-04 2.974277e-07 ; 3.078367e-01 1.026779e-01 1.289893e-03 4.942584e-04 0.000485 0.001339 True native_MD 7 22 125 - OE2_AB42_3 CB_AB42_14 1 0.000000e+00 1.630251e-06 ; 2.934379e-01 -1.630251e-06 1.747576e-03 8.887874e-04 0.000485 0.000060 True native_MD 7 22 126 + OE2_AB42_3 CB_AB42_14 1 0.000000e+00 1.630245e-06 ; 2.934378e-01 -1.630245e-06 1.747576e-03 8.887874e-04 0.000485 0.000060 True native_MD 7 22 126 OE2_AB42_3 CG_AB42_14 1 5.348990e-04 8.451711e-07 ; 3.412810e-01 8.463284e-02 7.516719e-04 8.476349e-04 0.000485 0.002166 True native_MD 7 22 127 OE2_AB42_3 ND1_AB42_14 1 4.383024e-04 5.365452e-07 ; 3.270685e-01 8.951202e-02 8.698441e-04 1.043817e-03 0.000485 0.002166 True native_MD 7 22 128 OE2_AB42_3 CD2_AB42_14 1 3.852280e-04 3.231608e-07 ; 3.071026e-01 1.148040e-01 1.854184e-03 1.214620e-03 0.000485 0.003309 True native_MD 7 22 129 @@ -6469,8 +6469,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OE2_AB42_3 N_AB42_15 1 1.102521e-04 2.837293e-08 ; 2.522045e-01 1.071050e-01 1.472624e-03 2.480596e-04 0.000485 0.002166 True native_MD 7 22 134 OE2_AB42_3 H_AB42_15 1 3.009816e-06 2.874542e-11 ; 1.456593e-01 7.878639e-02 6.310211e-04 4.998354e-05 0.000485 0.005316 True native_MD 7 22 135 OE2_AB42_3 CA_AB42_15 1 4.357813e-04 4.087258e-07 ; 3.128676e-01 1.161569e-01 1.930796e-03 4.733719e-04 0.000485 0.001339 True native_MD 7 22 136 - OE2_AB42_3 CB_AB42_15 1 0.000000e+00 1.629889e-06 ; 2.934325e-01 -1.629889e-06 1.766144e-03 6.854826e-04 0.000485 0.000060 True native_MD 7 22 137 - OE2_AB42_3 CG_AB42_15 1 0.000000e+00 1.629182e-06 ; 2.934219e-01 -1.629182e-06 2.281440e-03 7.673009e-04 0.000485 0.000060 True native_MD 7 22 138 + OE2_AB42_3 CB_AB42_15 1 0.000000e+00 1.629883e-06 ; 2.934324e-01 -1.629883e-06 1.766144e-03 6.854826e-04 0.000485 0.000060 True native_MD 7 22 137 + OE2_AB42_3 CG_AB42_15 1 0.000000e+00 1.629176e-06 ; 2.934218e-01 -1.629176e-06 2.281440e-03 7.673009e-04 0.000485 0.000060 True native_MD 7 22 138 OE2_AB42_3 CD_AB42_15 1 5.080775e-04 5.697760e-07 ; 3.223263e-01 1.132650e-01 1.770725e-03 7.238134e-04 0.000485 0.002166 True native_MD 7 22 139 OE2_AB42_3 OE1_AB42_15 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 22 140 OE2_AB42_3 NE2_AB42_15 1 1.394792e-04 3.933925e-08 ; 2.560862e-01 1.236325e-01 2.414871e-03 1.059865e-03 0.000485 0.002166 True native_MD 7 22 141 @@ -6479,28 +6479,28 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OE2_AB42_3 N_AB42_16 1 1.422897e-04 5.170921e-08 ; 2.671360e-01 9.788570e-02 1.117561e-03 2.615475e-04 0.000485 0.002166 True native_MD 7 22 144 OE2_AB42_3 H_AB42_16 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 22 145 OE2_AB42_3 CA_AB42_16 1 4.141955e-04 4.044165e-07 ; 3.149710e-01 1.060528e-01 1.426973e-03 3.858033e-04 0.000485 0.001339 True native_MD 7 22 146 - OE2_AB42_3 CB_AB42_16 1 0.000000e+00 1.628316e-06 ; 2.934089e-01 -1.628316e-06 2.417929e-03 3.732916e-04 0.000485 0.000060 True native_MD 7 22 147 + OE2_AB42_3 CB_AB42_16 1 0.000000e+00 1.628310e-06 ; 2.934088e-01 -1.628310e-06 2.417929e-03 3.732916e-04 0.000485 0.000060 True native_MD 7 22 147 OE2_AB42_3 CG_AB42_16 1 2.073424e-04 1.488362e-07 ; 2.992288e-01 7.221170e-02 5.073410e-03 5.845055e-04 0.000485 0.000060 True native_MD 7 22 148 OE2_AB42_3 CD_AB42_16 1 2.706217e-04 2.456323e-07 ; 3.111624e-01 7.453836e-02 9.791455e-03 1.052197e-03 0.000485 0.000060 True native_MD 7 22 149 OE2_AB42_3 CE_AB42_16 1 2.091439e-04 1.398071e-07 ; 2.956973e-01 7.821697e-02 1.437217e-02 1.383447e-03 0.000485 0.000060 True native_MD 7 22 150 OE2_AB42_3 NZ_AB42_16 1 1.285012e-04 2.286362e-08 ; 2.371590e-01 1.805549e-01 1.326464e-02 1.045286e-03 0.000485 0.002166 True native_MD 7 22 151 OE2_AB42_3 O_AB42_16 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 22 153 OE2_AB42_3 H_AB42_17 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 22 155 - OE2_AB42_3 CB_AB42_17 1 0.000000e+00 1.630751e-06 ; 2.934454e-01 -1.630751e-06 7.023351e-04 1.499933e-04 0.000485 0.000060 True native_MD 7 22 157 - OE2_AB42_3 CG_AB42_17 1 0.000000e+00 3.358737e-06 ; 3.116566e-01 -3.358737e-06 1.934740e-03 9.019940e-04 0.000485 0.000060 True native_MD 7 22 158 - OE2_AB42_3 CD1_AB42_17 1 0.000000e+00 1.215483e-06 ; 2.863458e-01 -1.215483e-06 2.117364e-03 4.895544e-04 0.000485 0.000060 True native_MD 7 22 159 - OE2_AB42_3 CD2_AB42_17 1 0.000000e+00 1.216339e-06 ; 2.863626e-01 -1.216339e-06 1.674987e-03 7.502160e-04 0.000485 0.000060 True native_MD 7 22 160 + OE2_AB42_3 CB_AB42_17 1 0.000000e+00 1.630745e-06 ; 2.934453e-01 -1.630745e-06 7.023351e-04 1.499933e-04 0.000485 0.000060 True native_MD 7 22 157 + OE2_AB42_3 CG_AB42_17 1 0.000000e+00 3.358764e-06 ; 3.116568e-01 -3.358764e-06 1.934740e-03 9.019940e-04 0.000485 0.000060 True native_MD 7 22 158 + OE2_AB42_3 CD1_AB42_17 1 0.000000e+00 1.215484e-06 ; 2.863458e-01 -1.215484e-06 2.117364e-03 4.895544e-04 0.000485 0.000060 True native_MD 7 22 159 + OE2_AB42_3 CD2_AB42_17 1 0.000000e+00 1.216340e-06 ; 2.863626e-01 -1.216340e-06 1.674987e-03 7.502160e-04 0.000485 0.000060 True native_MD 7 22 160 OE2_AB42_3 O_AB42_17 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 22 162 OE2_AB42_3 H_AB42_18 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 22 164 OE2_AB42_3 CA_AB42_18 1 4.312868e-04 6.174799e-07 ; 3.357191e-01 7.530945e-02 5.686635e-04 2.359452e-04 0.000485 0.001339 True native_MD 7 22 165 - OE2_AB42_3 CB_AB42_18 1 0.000000e+00 3.360383e-06 ; 3.116693e-01 -3.360383e-06 1.303265e-03 7.601315e-04 0.000485 0.000060 True native_MD 7 22 166 + OE2_AB42_3 CB_AB42_18 1 0.000000e+00 3.360411e-06 ; 3.116695e-01 -3.360411e-06 1.303265e-03 7.601315e-04 0.000485 0.000060 True native_MD 7 22 166 OE2_AB42_3 CG1_AB42_18 1 0.000000e+00 1.216926e-06 ; 2.863741e-01 -1.216926e-06 1.212137e-03 7.690397e-04 0.000485 0.000060 True native_MD 7 22 167 OE2_AB42_3 CG2_AB42_18 1 0.000000e+00 1.216214e-06 ; 2.863601e-01 -1.216214e-06 1.611481e-03 5.836677e-04 0.000485 0.000060 True native_MD 7 22 168 OE2_AB42_3 O_AB42_18 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 22 170 OE2_AB42_3 N_AB42_19 1 7.440287e-05 1.855089e-08 ; 2.508780e-01 7.460270e-02 5.567624e-04 1.329672e-04 0.000485 0.002166 True native_MD 7 22 171 OE2_AB42_3 H_AB42_19 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 22 172 OE2_AB42_3 CA_AB42_19 1 4.370215e-04 4.917191e-07 ; 3.225044e-01 9.710209e-02 1.091659e-03 5.902022e-04 0.000485 0.001339 True native_MD 7 22 173 - OE2_AB42_3 CB_AB42_19 1 0.000000e+00 1.630659e-06 ; 2.934440e-01 -1.630659e-06 1.176942e-03 5.686005e-04 0.000485 0.000060 True native_MD 7 22 174 + OE2_AB42_3 CB_AB42_19 1 0.000000e+00 1.630654e-06 ; 2.934439e-01 -1.630654e-06 1.176942e-03 5.686005e-04 0.000485 0.000060 True native_MD 7 22 174 OE2_AB42_3 CD1_AB42_19 1 4.061454e-04 4.357104e-07 ; 3.199529e-01 9.464663e-02 1.014318e-03 8.913225e-04 0.000485 0.003309 True native_MD 7 22 176 OE2_AB42_3 CD2_AB42_19 1 4.061454e-04 4.357104e-07 ; 3.199529e-01 9.464663e-02 1.014318e-03 8.913225e-04 0.000485 0.003309 True native_MD 7 22 177 OE2_AB42_3 CE1_AB42_19 1 4.337850e-04 3.967484e-07 ; 3.115589e-01 1.185697e-01 2.075367e-03 1.816182e-03 0.000485 0.003309 True native_MD 7 22 178 @@ -6511,7 +6511,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OE2_AB42_3 N_AB42_20 1 1.133962e-04 2.983878e-08 ; 2.531417e-01 1.077348e-01 1.500640e-03 4.497013e-04 0.000485 0.002166 True native_MD 7 22 183 OE2_AB42_3 H_AB42_20 1 4.311183e-06 4.875584e-11 ; 1.498207e-01 9.530294e-02 1.034437e-03 1.500118e-04 0.000485 0.005316 True native_MD 7 22 184 OE2_AB42_3 CA_AB42_20 1 4.866275e-04 5.003110e-07 ; 3.176927e-01 1.183296e-01 2.060503e-03 7.419406e-04 0.000485 0.001339 True native_MD 7 22 185 - OE2_AB42_3 CB_AB42_20 1 0.000000e+00 1.629486e-06 ; 2.934264e-01 -1.629486e-06 2.085065e-03 7.575735e-04 0.000485 0.000060 True native_MD 7 22 186 + OE2_AB42_3 CB_AB42_20 1 0.000000e+00 1.629480e-06 ; 2.934263e-01 -1.629480e-06 2.085065e-03 7.575735e-04 0.000485 0.000060 True native_MD 7 22 186 OE2_AB42_3 CD1_AB42_20 1 2.294631e-04 1.810625e-07 ; 3.039853e-01 7.270044e-02 5.259529e-04 7.732141e-04 0.000485 0.003309 True native_MD 7 22 188 OE2_AB42_3 CD2_AB42_20 1 2.294631e-04 1.810625e-07 ; 3.039853e-01 7.270044e-02 5.259529e-04 7.732141e-04 0.000485 0.003309 True native_MD 7 22 189 OE2_AB42_3 CE1_AB42_20 1 4.204178e-04 4.642001e-07 ; 3.214924e-01 9.519124e-02 1.030985e-03 8.357903e-04 0.000485 0.003309 True native_MD 7 22 190 @@ -6522,19 +6522,19 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OE2_AB42_3 N_AB42_21 1 1.065713e-04 2.489828e-08 ; 2.481732e-01 1.140383e-01 1.812181e-03 3.969209e-04 0.000485 0.002166 True native_MD 7 22 195 OE2_AB42_3 H_AB42_21 1 3.266321e-06 2.790201e-11 ; 1.429759e-01 9.559213e-02 1.043428e-03 7.152374e-05 0.000485 0.005316 True native_MD 7 22 196 OE2_AB42_3 CA_AB42_21 1 5.695238e-04 6.885529e-07 ; 3.263905e-01 1.177678e-01 2.026152e-03 6.882674e-04 0.000485 0.001339 True native_MD 7 22 197 - OE2_AB42_3 CB_AB42_21 1 0.000000e+00 1.215647e-06 ; 2.863490e-01 -1.215647e-06 2.401246e-03 9.082079e-04 0.000485 0.000060 True native_MD 7 22 198 + OE2_AB42_3 CB_AB42_21 1 0.000000e+00 1.215648e-06 ; 2.863490e-01 -1.215648e-06 2.401246e-03 9.082079e-04 0.000485 0.000060 True native_MD 7 22 198 OE2_AB42_3 O_AB42_21 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 22 200 OE2_AB42_3 N_AB42_22 1 8.573454e-04 2.600806e-06 ; 3.804743e-01 7.065512e-02 4.947258e-04 1.671254e-04 0.000485 0.002166 True native_MD 7 22 201 OE2_AB42_3 H_AB42_22 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 22 202 OE2_AB42_3 CA_AB42_22 1 3.849725e-04 5.003491e-07 ; 3.303497e-01 7.405019e-02 5.476324e-04 2.478227e-04 0.000485 0.001339 True native_MD 7 22 203 - OE2_AB42_3 CB_AB42_22 1 0.000000e+00 1.630983e-06 ; 2.934489e-01 -1.630983e-06 6.887663e-04 2.788441e-04 0.000485 0.000060 True native_MD 7 22 204 - OE2_AB42_3 CG_AB42_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 22 205 + OE2_AB42_3 CB_AB42_22 1 0.000000e+00 1.630978e-06 ; 2.934488e-01 -1.630978e-06 6.887663e-04 2.788441e-04 0.000485 0.000060 True native_MD 7 22 204 + OE2_AB42_3 CG_AB42_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 22 205 OE2_AB42_3 OE1_AB42_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 22 207 OE2_AB42_3 OE2_AB42_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 22 208 OE2_AB42_3 O_AB42_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 22 210 OE2_AB42_3 H_AB42_23 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 22 212 OE2_AB42_3 CA_AB42_23 1 6.829019e-04 1.595056e-06 ; 3.642528e-01 7.309380e-02 5.321809e-04 2.134139e-04 0.000485 0.001339 True native_MD 7 22 213 - OE2_AB42_3 CB_AB42_23 1 0.000000e+00 1.631127e-06 ; 2.934510e-01 -1.631127e-06 6.615807e-04 3.400182e-04 0.000485 0.000060 True native_MD 7 22 214 + OE2_AB42_3 CB_AB42_23 1 0.000000e+00 1.631122e-06 ; 2.934510e-01 -1.631122e-06 6.615807e-04 3.400182e-04 0.000485 0.000060 True native_MD 7 22 214 OE2_AB42_3 CG_AB42_23 1 7.426213e-04 1.700237e-06 ; 3.630421e-01 8.108963e-02 6.760493e-04 3.042440e-04 0.000485 0.002166 True native_MD 7 22 215 OE2_AB42_3 OD1_AB42_23 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 22 216 OE2_AB42_3 OD2_AB42_23 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 22 217 @@ -6542,7 +6542,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OE2_AB42_3 N_AB42_24 1 5.339181e-04 7.656367e-07 ; 3.358082e-01 9.308220e-02 9.679252e-04 1.029401e-05 0.000485 0.002166 True native_MD 7 22 220 OE2_AB42_3 H_AB42_24 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 22 221 OE2_AB42_3 CA_AB42_24 1 5.419566e-04 5.948330e-07 ; 3.211726e-01 1.234451e-01 2.401369e-03 6.395008e-05 0.000485 0.001339 True native_MD 7 22 222 - OE2_AB42_3 CB_AB42_24 1 0.000000e+00 3.352921e-06 ; 3.116116e-01 -3.352921e-06 3.252741e-03 4.900850e-04 0.000485 0.000060 True native_MD 7 22 223 + OE2_AB42_3 CB_AB42_24 1 0.000000e+00 3.352948e-06 ; 3.116118e-01 -3.352948e-06 3.252741e-03 4.900850e-04 0.000485 0.000060 True native_MD 7 22 223 OE2_AB42_3 CG1_AB42_24 1 3.365433e-04 3.694091e-07 ; 3.211770e-01 7.665037e-02 3.115978e-03 3.143367e-04 0.000485 0.000060 True native_MD 7 22 224 OE2_AB42_3 CG2_AB42_24 1 0.000000e+00 1.215666e-06 ; 2.863493e-01 -1.215666e-06 1.958231e-03 4.801055e-04 0.000485 0.000060 True native_MD 7 22 225 OE2_AB42_3 C_AB42_24 1 5.357922e-04 6.332894e-07 ; 3.251629e-01 1.133263e-01 1.773974e-03 8.029075e-05 0.000485 0.002166 True native_MD 7 22 226 @@ -6593,16 +6593,16 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OE2_AB42_3 H_AB42_31 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 22 271 OE2_AB42_3 CA_AB42_31 1 8.538975e-04 1.942087e-06 ; 3.626412e-01 9.386048e-02 9.907336e-04 2.448419e-04 0.000485 0.001339 True native_MD 7 22 272 OE2_AB42_3 CB_AB42_31 1 8.189693e-04 2.232114e-06 ; 3.737445e-01 7.512057e-02 2.190249e-03 2.313005e-04 0.000485 0.000060 True native_MD 7 22 273 - OE2_AB42_3 CG1_AB42_31 1 0.000000e+00 1.629589e-06 ; 2.934280e-01 -1.629589e-06 1.513139e-03 2.484662e-04 0.000485 0.000060 True native_MD 7 22 274 + OE2_AB42_3 CG1_AB42_31 1 0.000000e+00 1.629583e-06 ; 2.934279e-01 -1.629583e-06 1.513139e-03 2.484662e-04 0.000485 0.000060 True native_MD 7 22 274 OE2_AB42_3 CG2_AB42_31 1 3.795460e-04 4.983384e-07 ; 3.309101e-01 7.226774e-02 2.348842e-03 2.701557e-04 0.000485 0.000060 True native_MD 7 22 275 OE2_AB42_3 CD_AB42_31 1 3.166537e-04 3.490143e-07 ; 3.213979e-01 7.182341e-02 3.252758e-03 3.791289e-04 0.000485 0.000060 True native_MD 7 22 276 OE2_AB42_3 O_AB42_31 1 3.812282e-04 3.446485e-07 ; 3.109557e-01 1.054226e-01 2.308942e-03 9.846251e-05 0.000485 0.000060 True native_MD 7 22 278 OE2_AB42_3 N_AB42_32 1 1.137090e-03 3.871293e-06 ; 3.878617e-01 8.349756e-02 7.265632e-04 7.349485e-05 0.000485 0.002166 True native_MD 7 22 279 OE2_AB42_3 H_AB42_32 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 22 280 OE2_AB42_3 CA_AB42_32 1 4.782392e-04 5.272972e-07 ; 3.214167e-01 1.084363e-01 1.532479e-03 2.002645e-04 0.000485 0.001339 True native_MD 7 22 281 - OE2_AB42_3 CB_AB42_32 1 0.000000e+00 3.358157e-06 ; 3.116521e-01 -3.358157e-06 1.511693e-03 3.064510e-04 0.000485 0.000060 True native_MD 7 22 282 - OE2_AB42_3 CG1_AB42_32 1 0.000000e+00 1.630813e-06 ; 2.934463e-01 -1.630813e-06 7.006261e-04 1.864922e-04 0.000485 0.000060 True native_MD 7 22 283 - OE2_AB42_3 CG2_AB42_32 1 0.000000e+00 1.215851e-06 ; 2.863530e-01 -1.215851e-06 1.669705e-03 3.440748e-04 0.000485 0.000060 True native_MD 7 22 284 + OE2_AB42_3 CB_AB42_32 1 0.000000e+00 3.358184e-06 ; 3.116523e-01 -3.358184e-06 1.511693e-03 3.064510e-04 0.000485 0.000060 True native_MD 7 22 282 + OE2_AB42_3 CG1_AB42_32 1 0.000000e+00 1.630808e-06 ; 2.934462e-01 -1.630808e-06 7.006261e-04 1.864922e-04 0.000485 0.000060 True native_MD 7 22 283 + OE2_AB42_3 CG2_AB42_32 1 0.000000e+00 1.215852e-06 ; 2.863530e-01 -1.215852e-06 1.669705e-03 3.440748e-04 0.000485 0.000060 True native_MD 7 22 284 OE2_AB42_3 CD_AB42_32 1 3.966230e-04 5.526000e-07 ; 3.341993e-01 7.116803e-02 1.548553e-03 1.840683e-04 0.000485 0.000060 True native_MD 7 22 285 OE2_AB42_3 C_AB42_32 1 5.300520e-04 7.003466e-07 ; 3.312575e-01 1.002915e-01 1.200987e-03 6.338238e-05 0.000485 0.002166 True native_MD 7 22 286 OE2_AB42_3 O_AB42_32 1 7.922988e-04 1.841875e-06 ; 3.639669e-01 8.520359e-02 1.920132e-03 1.499576e-04 0.000485 0.000060 True native_MD 7 22 287 @@ -6624,14 +6624,14 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OE2_AB42_3 H_AB42_35 1 4.066808e-06 4.709925e-11 ; 1.504158e-01 8.778763e-02 8.260951e-04 0.000000e+00 0.000485 0.005316 True native_MD 7 22 303 OE2_AB42_3 CA_AB42_35 1 5.743083e-04 8.129295e-07 ; 3.350822e-01 1.014325e-01 1.242706e-03 9.716407e-05 0.000485 0.001339 True native_MD 7 22 304 OE2_AB42_3 CB_AB42_35 1 3.058929e-04 2.699575e-07 ; 3.097094e-01 8.665296e-02 2.006961e-03 1.500857e-04 0.000485 0.000060 True native_MD 7 22 305 - OE2_AB42_3 CG_AB42_35 1 0.000000e+00 1.629212e-06 ; 2.934223e-01 -1.629212e-06 1.725815e-03 2.302980e-04 0.000485 0.000060 True native_MD 7 22 306 + OE2_AB42_3 CG_AB42_35 1 0.000000e+00 1.629206e-06 ; 2.934222e-01 -1.629206e-06 1.725815e-03 2.302980e-04 0.000485 0.000060 True native_MD 7 22 306 OE2_AB42_3 SD_AB42_35 1 6.832629e-04 1.121778e-06 ; 3.434682e-01 1.040420e-01 1.343640e-03 2.186432e-04 0.000485 0.002166 True native_MD 7 22 307 OE2_AB42_3 CE_AB42_35 1 0.000000e+00 1.215611e-06 ; 2.863483e-01 -1.215611e-06 2.027414e-03 5.041158e-04 0.000485 0.000060 True native_MD 7 22 308 OE2_AB42_3 O_AB42_35 1 5.607953e-04 1.060190e-06 ; 3.516386e-01 7.415919e-02 1.380875e-03 1.500832e-04 0.000485 0.000060 True native_MD 7 22 310 OE2_AB42_3 N_AB42_36 1 1.427445e-04 6.411327e-08 ; 2.767354e-01 7.945314e-02 6.437385e-04 1.359216e-04 0.000485 0.002166 True native_MD 7 22 311 OE2_AB42_3 H_AB42_36 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 22 312 OE2_AB42_3 CA_AB42_36 1 4.502351e-04 5.069140e-07 ; 3.225392e-01 9.997339e-02 1.189609e-03 1.513565e-04 0.000485 0.001339 True native_MD 7 22 313 - OE2_AB42_3 CB_AB42_36 1 0.000000e+00 3.356683e-06 ; 3.116407e-01 -3.356683e-06 2.040247e-03 3.965856e-04 0.000485 0.000060 True native_MD 7 22 314 + OE2_AB42_3 CB_AB42_36 1 0.000000e+00 3.356710e-06 ; 3.116409e-01 -3.356710e-06 2.040247e-03 3.965856e-04 0.000485 0.000060 True native_MD 7 22 314 OE2_AB42_3 CG1_AB42_36 1 0.000000e+00 1.215989e-06 ; 2.863557e-01 -1.215989e-06 1.606224e-03 3.936288e-04 0.000485 0.000060 True native_MD 7 22 315 OE2_AB42_3 CG2_AB42_36 1 3.304782e-04 3.261853e-07 ; 3.155394e-01 8.370690e-02 1.228871e-03 1.003681e-04 0.000485 0.000060 True native_MD 7 22 316 OE2_AB42_3 C_AB42_36 1 3.015913e-04 3.209326e-07 ; 3.195208e-01 7.085391e-02 4.976777e-04 5.330969e-05 0.000485 0.002166 True native_MD 7 22 317 @@ -6649,12 +6649,12 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OE2_AB42_3 N_AB42_39 1 1.119551e-04 3.858752e-08 ; 2.647894e-01 8.120460e-02 6.783794e-04 1.792161e-04 0.000485 0.002166 True native_MD 7 22 329 OE2_AB42_3 H_AB42_39 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 22 330 OE2_AB42_3 CA_AB42_39 1 9.611624e-04 2.435706e-06 ; 3.692365e-01 9.482192e-02 1.019653e-03 1.143872e-04 0.000485 0.001339 True native_MD 7 22 331 - OE2_AB42_3 CB_AB42_39 1 0.000000e+00 3.358019e-06 ; 3.116511e-01 -3.358019e-06 1.584092e-03 3.378381e-04 0.000485 0.000060 True native_MD 7 22 332 + OE2_AB42_3 CB_AB42_39 1 0.000000e+00 3.358046e-06 ; 3.116513e-01 -3.358046e-06 1.584092e-03 3.378381e-04 0.000485 0.000060 True native_MD 7 22 332 OE2_AB42_3 CG1_AB42_39 1 0.000000e+00 1.215865e-06 ; 2.863532e-01 -1.215865e-06 1.643295e-03 3.286608e-04 0.000485 0.000060 True native_MD 7 22 333 - OE2_AB42_3 CG2_AB42_39 1 0.000000e+00 1.216395e-06 ; 2.863637e-01 -1.216395e-06 1.234220e-03 3.555884e-04 0.000485 0.000060 True native_MD 7 22 334 + OE2_AB42_3 CG2_AB42_39 1 0.000000e+00 1.216396e-06 ; 2.863637e-01 -1.216396e-06 1.234220e-03 3.555884e-04 0.000485 0.000060 True native_MD 7 22 334 OE2_AB42_3 O_AB42_39 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 22 336 OE2_AB42_3 H_AB42_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 22 338 - OE2_AB42_3 CB_AB42_40 1 0.000000e+00 3.357122e-06 ; 3.116441e-01 -3.357122e-06 2.009695e-03 4.964731e-04 0.000485 0.000060 True native_MD 7 22 340 + OE2_AB42_3 CB_AB42_40 1 0.000000e+00 3.357149e-06 ; 3.116443e-01 -3.357149e-06 2.009695e-03 4.964731e-04 0.000485 0.000060 True native_MD 7 22 340 OE2_AB42_3 CG1_AB42_40 1 2.987574e-04 2.961175e-07 ; 3.157603e-01 7.535518e-02 1.473590e-03 1.545292e-04 0.000485 0.000060 True native_MD 7 22 341 OE2_AB42_3 CG2_AB42_40 1 0.000000e+00 1.215781e-06 ; 2.863516e-01 -1.215781e-06 1.751004e-03 3.675267e-04 0.000485 0.000060 True native_MD 7 22 342 OE2_AB42_3 O_AB42_40 1 5.261724e-04 7.838794e-07 ; 3.379508e-01 8.829717e-02 1.402695e-03 9.986065e-05 0.000485 0.000060 True native_MD 7 22 344 @@ -6674,28 +6674,28 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OE2_AB42_3 C_AB42_42 1 5.659291e-04 9.167590e-07 ; 3.427011e-01 8.733914e-02 8.150817e-04 1.100549e-04 0.000485 0.002166 True native_MD 7 22 358 OE2_AB42_3 O1_AB42_42 1 4.350130e-04 6.595757e-07 ; 3.389433e-01 7.172654e-02 3.215305e-03 3.758515e-04 0.000485 0.000060 True native_MD 7 22 359 OE2_AB42_3 O2_AB42_42 1 4.350130e-04 6.595757e-07 ; 3.389433e-01 7.172654e-02 3.215305e-03 3.758515e-04 0.000485 0.000060 True native_MD 7 22 360 - C_AB42_3 CB_AB42_4 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 23 28 - C_AB42_3 CG_AB42_4 1 0.000000e+00 2.660543e-06 ; 3.056628e-01 -2.660543e-06 9.205658e-01 9.444145e-01 0.000485 0.000060 True native_MD 4 23 29 - C_AB42_3 CD1_AB42_4 1 0.000000e+00 2.548754e-06 ; 3.045713e-01 -2.548754e-06 6.203160e-01 6.011454e-01 0.000485 0.000060 True native_MD 5 23 30 - C_AB42_3 CD2_AB42_4 1 0.000000e+00 2.548754e-06 ; 3.045713e-01 -2.548754e-06 6.203160e-01 6.011454e-01 0.000485 0.000060 True native_MD 5 23 31 - C_AB42_3 CE1_AB42_4 1 0.000000e+00 2.457218e-06 ; 3.036444e-01 -2.457218e-06 2.172131e-01 1.628172e-01 0.000485 0.000060 True native_MD 6 23 32 - C_AB42_3 CE2_AB42_4 1 0.000000e+00 2.457218e-06 ; 3.036444e-01 -2.457218e-06 2.172131e-01 1.628172e-01 0.000485 0.000060 True native_MD 6 23 33 + C_AB42_3 CB_AB42_4 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 23 28 + C_AB42_3 CG_AB42_4 1 0.000000e+00 2.660495e-06 ; 3.056623e-01 -2.660495e-06 9.205658e-01 9.444145e-01 0.000485 0.000060 True native_MD 4 23 29 + C_AB42_3 CD1_AB42_4 1 0.000000e+00 2.548709e-06 ; 3.045709e-01 -2.548709e-06 6.203160e-01 6.011454e-01 0.000485 0.000060 True native_MD 5 23 30 + C_AB42_3 CD2_AB42_4 1 0.000000e+00 2.548709e-06 ; 3.045709e-01 -2.548709e-06 6.203160e-01 6.011454e-01 0.000485 0.000060 True native_MD 5 23 31 + C_AB42_3 CE1_AB42_4 1 0.000000e+00 2.457175e-06 ; 3.036440e-01 -2.457175e-06 2.172131e-01 1.628172e-01 0.000485 0.000060 True native_MD 6 23 32 + C_AB42_3 CE2_AB42_4 1 0.000000e+00 2.457175e-06 ; 3.036440e-01 -2.457175e-06 2.172131e-01 1.628172e-01 0.000485 0.000060 True native_MD 6 23 33 C_AB42_3 CZ_AB42_4 1 3.506206e-03 1.945060e-05 ; 4.207421e-01 1.580090e-01 5.795818e-02 2.839115e-02 0.000485 0.003309 True native_MD 7 23 34 - C_AB42_3 O_AB42_4 1 0.000000e+00 7.975950e-07 ; 2.764671e-01 -7.975950e-07 9.070629e-01 8.715733e-01 0.000485 0.000060 True native_MD 4 23 36 - C_AB42_3 N_AB42_5 1 0.000000e+00 1.474942e-06 ; 2.909999e-01 -1.474942e-06 9.826417e-01 9.606235e-01 0.000485 0.000060 True native_MD 4 23 37 - C_AB42_3 CA_AB42_5 1 0.000000e+00 1.197605e-05 ; 3.464877e-01 -1.197605e-05 8.886899e-01 8.062635e-01 0.000485 0.000060 True native_MD 5 23 39 - C_AB42_3 CB_AB42_5 1 0.000000e+00 5.610394e-06 ; 3.252703e-01 -5.610394e-06 3.285172e-01 2.142811e-01 0.000485 0.000060 True native_MD 6 23 40 - C_AB42_3 CG_AB42_5 1 0.000000e+00 5.219518e-06 ; 3.233187e-01 -5.219518e-06 3.530052e-01 1.770579e-01 0.000485 0.000060 True native_MD 7 23 41 - C_AB42_3 CD_AB42_5 1 0.000000e+00 5.617768e-06 ; 3.253059e-01 -5.617768e-06 1.493439e-01 3.627197e-02 0.000485 0.000060 True native_MD 7 23 42 + C_AB42_3 O_AB42_4 1 0.000000e+00 7.975913e-07 ; 2.764670e-01 -7.975913e-07 9.070629e-01 8.715733e-01 0.000485 0.000060 True native_MD 4 23 36 + C_AB42_3 N_AB42_5 1 0.000000e+00 1.474921e-06 ; 2.909996e-01 -1.474921e-06 9.826417e-01 9.606235e-01 0.000485 0.000060 True native_MD 4 23 37 + C_AB42_3 CA_AB42_5 1 0.000000e+00 1.197598e-05 ; 3.464875e-01 -1.197598e-05 8.886899e-01 8.062635e-01 0.000485 0.000060 True native_MD 5 23 39 + C_AB42_3 CB_AB42_5 1 0.000000e+00 5.610300e-06 ; 3.252699e-01 -5.610300e-06 3.285172e-01 2.142811e-01 0.000485 0.000060 True native_MD 6 23 40 + C_AB42_3 CG_AB42_5 1 0.000000e+00 5.219430e-06 ; 3.233183e-01 -5.219430e-06 3.530052e-01 1.770579e-01 0.000485 0.000060 True native_MD 7 23 41 + C_AB42_3 CD_AB42_5 1 0.000000e+00 5.617674e-06 ; 3.253055e-01 -5.617674e-06 1.493439e-01 3.627197e-02 0.000485 0.000060 True native_MD 7 23 42 C_AB42_3 NE_AB42_5 1 1.969632e-03 5.605622e-06 ; 3.764493e-01 1.730161e-01 2.804066e-02 5.737690e-03 0.000485 0.002166 True native_MD 7 23 43 C_AB42_3 CZ_AB42_5 1 2.671052e-03 1.010918e-05 ; 3.947652e-01 1.764367e-01 2.916418e-02 5.386866e-03 0.000485 0.002166 True native_MD 7 23 44 C_AB42_3 NH1_AB42_5 1 9.382225e-04 1.487258e-06 ; 3.414654e-01 1.479671e-01 7.323928e-03 3.171363e-03 0.000485 0.002166 True native_MD 7 23 45 C_AB42_3 NH2_AB42_5 1 9.382225e-04 1.487258e-06 ; 3.414654e-01 1.479671e-01 7.323928e-03 3.171363e-03 0.000485 0.002166 True native_MD 7 23 46 - C_AB42_3 C_AB42_5 1 0.000000e+00 2.733885e-06 ; 3.063562e-01 -2.733885e-06 5.695227e-02 1.090251e-01 0.000485 0.000060 True native_MD 6 23 47 + C_AB42_3 C_AB42_5 1 0.000000e+00 2.733836e-06 ; 3.063558e-01 -2.733836e-06 5.695227e-02 1.090251e-01 0.000485 0.000060 True native_MD 6 23 47 C_AB42_3 O_AB42_5 1 8.287068e-04 1.744810e-06 ; 3.580068e-01 9.839965e-02 2.783882e-02 5.313370e-02 0.000485 0.002166 True native_MD 7 23 48 C_AB42_3 N_AB42_6 1 5.642691e-04 9.978253e-07 ; 3.477454e-01 7.977338e-02 4.073084e-02 1.357428e-01 0.000485 0.002166 True native_MD 7 23 49 - C_AB42_3 CA_AB42_6 1 0.000000e+00 1.431335e-05 ; 3.516739e-01 -1.431335e-05 4.298978e-02 1.396417e-01 0.000485 0.001339 True native_MD 7 23 51 - C_AB42_3 CB_AB42_6 1 0.000000e+00 6.750198e-06 ; 3.303224e-01 -6.750198e-06 2.997738e-02 9.569243e-02 0.000485 0.000060 True native_MD 7 23 52 + C_AB42_3 CA_AB42_6 1 0.000000e+00 1.431328e-05 ; 3.516737e-01 -1.431328e-05 4.298978e-02 1.396417e-01 0.000485 0.001339 True native_MD 7 23 51 + C_AB42_3 CB_AB42_6 1 0.000000e+00 6.750084e-06 ; 3.303220e-01 -6.750084e-06 2.997738e-02 9.569243e-02 0.000485 0.000060 True native_MD 7 23 52 C_AB42_3 CG_AB42_6 1 1.228989e-03 5.024004e-06 ; 3.998683e-01 7.515990e-02 7.604996e-03 2.909685e-02 0.000485 0.002166 True native_MD 7 23 53 C_AB42_3 ND1_AB42_6 1 8.548346e-04 2.292168e-06 ; 3.727298e-01 7.969989e-02 1.001467e-02 3.344932e-02 0.000485 0.002166 True native_MD 7 23 54 C_AB42_3 CD2_AB42_6 1 1.044745e-03 2.365240e-06 ; 3.623633e-01 1.153680e-01 2.100264e-02 3.685808e-02 0.000485 0.003309 True native_MD 7 23 55 @@ -6703,14 +6703,14 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_3 NE2_AB42_6 1 5.593160e-04 6.702205e-07 ; 3.259068e-01 1.166909e-01 2.342802e-02 2.586586e-02 0.000485 0.002166 True native_MD 7 23 57 C_AB42_3 C_AB42_6 1 1.711579e-03 8.750857e-06 ; 4.150581e-01 8.369191e-02 6.536925e-03 1.937460e-02 0.000485 0.002166 True native_MD 7 23 58 C_AB42_3 O_AB42_6 1 6.044354e-04 9.989878e-07 ; 3.438495e-01 9.142808e-02 9.316423e-03 2.190663e-02 0.000485 0.002166 True native_MD 7 23 59 - C_AB42_3 N_AB42_7 1 0.000000e+00 1.543625e-06 ; 2.921058e-01 -1.543625e-06 3.039945e-03 2.656292e-02 0.000485 0.002166 True native_MD 7 23 60 - C_AB42_3 CA_AB42_7 1 0.000000e+00 1.350171e-05 ; 3.499673e-01 -1.350171e-05 4.133287e-03 3.859947e-02 0.000485 0.001339 True native_MD 7 23 62 - C_AB42_3 CB_AB42_7 1 0.000000e+00 6.550477e-06 ; 3.294967e-01 -6.550477e-06 6.785782e-03 4.096908e-02 0.000485 0.000060 True native_MD 7 23 63 - C_AB42_3 CG_AB42_7 1 0.000000e+00 2.624829e-06 ; 3.053187e-01 -2.624829e-06 2.221098e-03 1.232644e-02 0.000485 0.002166 True native_MD 7 23 64 + C_AB42_3 N_AB42_7 1 0.000000e+00 1.543603e-06 ; 2.921054e-01 -1.543603e-06 3.039945e-03 2.656292e-02 0.000485 0.002166 True native_MD 7 23 60 + C_AB42_3 CA_AB42_7 1 0.000000e+00 1.350164e-05 ; 3.499671e-01 -1.350164e-05 4.133287e-03 3.859947e-02 0.000485 0.001339 True native_MD 7 23 62 + C_AB42_3 CB_AB42_7 1 0.000000e+00 6.550367e-06 ; 3.294962e-01 -6.550367e-06 6.785782e-03 4.096908e-02 0.000485 0.000060 True native_MD 7 23 63 + C_AB42_3 CG_AB42_7 1 0.000000e+00 2.624783e-06 ; 3.053183e-01 -2.624783e-06 2.221098e-03 1.232644e-02 0.000485 0.002166 True native_MD 7 23 64 C_AB42_3 OD1_AB42_7 1 4.167111e-04 6.134783e-07 ; 3.372827e-01 7.076375e-02 1.748093e-03 7.628877e-03 0.000485 0.002166 True native_MD 7 23 65 C_AB42_3 OD2_AB42_7 1 4.167111e-04 6.134783e-07 ; 3.372827e-01 7.076375e-02 1.748093e-03 7.628877e-03 0.000485 0.002166 True native_MD 7 23 66 C_AB42_3 CA_AB42_8 1 3.017305e-03 2.312315e-05 ; 4.440221e-01 9.843089e-02 3.398068e-03 4.004941e-03 0.000485 0.001339 True native_MD 7 23 71 - C_AB42_3 CB_AB42_8 1 0.000000e+00 6.342978e-06 ; 3.286140e-01 -6.342978e-06 5.073568e-03 6.497088e-03 0.000485 0.000060 True native_MD 7 23 72 + C_AB42_3 CB_AB42_8 1 0.000000e+00 6.342871e-06 ; 3.286136e-01 -6.342871e-06 5.073568e-03 6.497088e-03 0.000485 0.000060 True native_MD 7 23 72 C_AB42_3 OG_AB42_8 1 4.789368e-04 5.475663e-07 ; 3.233651e-01 1.047273e-01 2.543962e-03 4.017821e-03 0.000485 0.002166 True native_MD 7 23 73 C_AB42_3 C_AB42_8 1 1.803205e-03 7.849270e-06 ; 4.040769e-01 1.035621e-01 1.324480e-03 3.433338e-04 0.000485 0.002166 True native_MD 7 23 74 C_AB42_3 O_AB42_8 1 7.440468e-04 1.287574e-06 ; 3.464937e-01 1.074901e-01 1.489691e-03 6.759308e-04 0.000485 0.002166 True native_MD 7 23 75 @@ -6720,7 +6720,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_3 O_AB42_9 1 8.169559e-04 1.471473e-06 ; 3.488127e-01 1.133927e-01 1.777503e-03 6.974215e-04 0.000485 0.002166 True native_MD 7 23 80 C_AB42_3 N_AB42_10 1 1.064303e-03 2.543798e-06 ; 3.656533e-01 1.113238e-01 1.670790e-03 7.382790e-05 0.000485 0.002166 True native_MD 7 23 81 C_AB42_3 CA_AB42_10 1 2.953061e-03 1.543914e-05 ; 4.166056e-01 1.412088e-01 4.086266e-03 1.093975e-03 0.000485 0.001339 True native_MD 7 23 83 - C_AB42_3 CB_AB42_10 1 0.000000e+00 6.327663e-06 ; 3.285478e-01 -6.327663e-06 3.622504e-03 2.628212e-03 0.000485 0.000060 True native_MD 7 23 84 + C_AB42_3 CB_AB42_10 1 0.000000e+00 6.327557e-06 ; 3.285474e-01 -6.327557e-06 3.622504e-03 2.628212e-03 0.000485 0.000060 True native_MD 7 23 84 C_AB42_3 CG_AB42_10 1 1.657246e-03 5.843248e-06 ; 3.901317e-01 1.175059e-01 2.010337e-03 1.405136e-03 0.000485 0.003309 True native_MD 7 23 85 C_AB42_3 CD1_AB42_10 1 1.254138e-03 2.901506e-06 ; 3.636747e-01 1.355211e-01 3.604989e-03 3.461304e-03 0.000485 0.003309 True native_MD 7 23 86 C_AB42_3 CD2_AB42_10 1 1.254138e-03 2.901506e-06 ; 3.636747e-01 1.355211e-01 3.604989e-03 3.461304e-03 0.000485 0.003309 True native_MD 7 23 87 @@ -6731,18 +6731,18 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_3 C_AB42_10 1 1.043742e-03 3.853128e-06 ; 3.931304e-01 7.068273e-02 4.951347e-04 3.420128e-05 0.000485 0.002166 True native_MD 7 23 92 C_AB42_3 N_AB42_11 1 6.674530e-04 1.422824e-06 ; 3.587471e-01 7.827631e-02 6.214621e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 23 94 C_AB42_3 CA_AB42_11 1 2.347106e-03 1.411309e-05 ; 4.264305e-01 9.758510e-02 1.107553e-03 3.198372e-04 0.000485 0.001339 True native_MD 7 23 96 - C_AB42_3 CB_AB42_11 1 0.000000e+00 6.326262e-06 ; 3.285418e-01 -6.326262e-06 1.489869e-03 2.742768e-04 0.000485 0.000060 True native_MD 7 23 97 - C_AB42_3 CG_AB42_11 1 0.000000e+00 6.321100e-06 ; 3.285194e-01 -6.321100e-06 2.633286e-03 6.027220e-04 0.000485 0.000060 True native_MD 7 23 98 + C_AB42_3 CB_AB42_11 1 0.000000e+00 6.326155e-06 ; 3.285413e-01 -6.326155e-06 1.489869e-03 2.742768e-04 0.000485 0.000060 True native_MD 7 23 97 + C_AB42_3 CG_AB42_11 1 0.000000e+00 6.320993e-06 ; 3.285190e-01 -6.320993e-06 2.633286e-03 6.027220e-04 0.000485 0.000060 True native_MD 7 23 98 C_AB42_3 CD_AB42_11 1 1.406255e-03 3.918136e-06 ; 3.751191e-01 1.261795e-01 2.606133e-03 8.260556e-04 0.000485 0.002166 True native_MD 7 23 99 C_AB42_3 OE1_AB42_11 1 7.226144e-04 1.091761e-06 ; 3.387429e-01 1.195710e-01 2.138491e-03 6.190188e-04 0.000485 0.002166 True native_MD 7 23 100 C_AB42_3 OE2_AB42_11 1 7.226144e-04 1.091761e-06 ; 3.387429e-01 1.195710e-01 2.138491e-03 6.190188e-04 0.000485 0.002166 True native_MD 7 23 101 C_AB42_3 CA_AB42_12 1 2.255593e-03 1.101481e-05 ; 4.118945e-01 1.154741e-01 1.891739e-03 1.085903e-04 0.000485 0.001339 True native_MD 7 23 106 - C_AB42_3 CB_AB42_12 1 0.000000e+00 1.300463e-05 ; 3.488750e-01 -1.300463e-05 4.931255e-03 1.312074e-03 0.000485 0.000060 True native_MD 7 23 107 - C_AB42_3 CG1_AB42_12 1 0.000000e+00 4.713030e-06 ; 3.205802e-01 -4.713030e-06 4.100263e-03 1.331449e-03 0.000485 0.000060 True native_MD 7 23 108 - C_AB42_3 CG2_AB42_12 1 0.000000e+00 4.715009e-06 ; 3.205914e-01 -4.715009e-06 3.996570e-03 1.646532e-03 0.000485 0.000060 True native_MD 7 23 109 + C_AB42_3 CB_AB42_12 1 0.000000e+00 1.300456e-05 ; 3.488748e-01 -1.300456e-05 4.931255e-03 1.312074e-03 0.000485 0.000060 True native_MD 7 23 107 + C_AB42_3 CG1_AB42_12 1 0.000000e+00 4.712968e-06 ; 3.205798e-01 -4.712968e-06 4.100263e-03 1.331449e-03 0.000485 0.000060 True native_MD 7 23 108 + C_AB42_3 CG2_AB42_12 1 0.000000e+00 4.714948e-06 ; 3.205911e-01 -4.714948e-06 3.996570e-03 1.646532e-03 0.000485 0.000060 True native_MD 7 23 109 C_AB42_3 O_AB42_12 1 4.965876e-04 8.364177e-07 ; 3.449355e-01 7.370698e-02 5.420365e-04 1.323300e-05 0.000485 0.002166 True native_MD 7 23 111 C_AB42_3 CA_AB42_13 1 2.648477e-03 1.438889e-05 ; 4.192810e-01 1.218723e-01 2.290961e-03 2.521921e-04 0.000485 0.001339 True native_MD 7 23 114 - C_AB42_3 CB_AB42_13 1 0.000000e+00 6.318514e-06 ; 3.285082e-01 -6.318514e-06 2.989439e-03 5.507506e-04 0.000485 0.000060 True native_MD 7 23 115 + C_AB42_3 CB_AB42_13 1 0.000000e+00 6.318408e-06 ; 3.285078e-01 -6.318408e-06 2.989439e-03 5.507506e-04 0.000485 0.000060 True native_MD 7 23 115 C_AB42_3 CG_AB42_13 1 1.566408e-03 4.941321e-06 ; 3.829626e-01 1.241385e-01 2.451717e-03 4.873901e-04 0.000485 0.002166 True native_MD 7 23 116 C_AB42_3 ND1_AB42_13 1 7.717361e-04 1.033712e-06 ; 3.320130e-01 1.440384e-01 4.447360e-03 9.882737e-04 0.000485 0.002166 True native_MD 7 23 117 C_AB42_3 CD2_AB42_13 1 9.824498e-04 1.697247e-06 ; 3.463957e-01 1.421725e-01 4.205833e-03 1.253039e-03 0.000485 0.003309 True native_MD 7 23 118 @@ -6953,18 +6953,18 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_3 O2_AB42_42 1 4.418394e-04 5.634728e-07 ; 3.293073e-01 8.661556e-02 7.976219e-04 8.524542e-05 0.000485 0.002166 True native_MD 7 23 360 O_AB42_3 O_AB42_3 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 24 24 O_AB42_3 H_AB42_4 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 24 26 - O_AB42_3 CB_AB42_4 1 0.000000e+00 2.015585e-06 ; 2.986724e-01 -2.015585e-06 9.999986e-01 9.999635e-01 0.000485 0.000060 True native_MD 4 24 28 - O_AB42_3 CG_AB42_4 1 0.000000e+00 7.951242e-07 ; 2.763957e-01 -7.951242e-07 4.738545e-01 4.353770e-01 0.000485 0.000060 True native_MD 5 24 29 - O_AB42_3 CD1_AB42_4 1 0.000000e+00 8.030355e-07 ; 2.766238e-01 -8.030355e-07 2.718211e-01 2.429106e-01 0.000485 0.000060 True native_MD 6 24 30 - O_AB42_3 CD2_AB42_4 1 0.000000e+00 8.030355e-07 ; 2.766238e-01 -8.030355e-07 2.718211e-01 2.429106e-01 0.000485 0.000060 True native_MD 6 24 31 + O_AB42_3 CB_AB42_4 1 0.000000e+00 2.015578e-06 ; 2.986723e-01 -2.015578e-06 9.999986e-01 9.999635e-01 0.000485 0.000060 True native_MD 4 24 28 + O_AB42_3 CG_AB42_4 1 0.000000e+00 7.951205e-07 ; 2.763956e-01 -7.951205e-07 4.738545e-01 4.353770e-01 0.000485 0.000060 True native_MD 5 24 29 + O_AB42_3 CD1_AB42_4 1 0.000000e+00 8.030318e-07 ; 2.766237e-01 -8.030318e-07 2.718211e-01 2.429106e-01 0.000485 0.000060 True native_MD 6 24 30 + O_AB42_3 CD2_AB42_4 1 0.000000e+00 8.030318e-07 ; 2.766237e-01 -8.030318e-07 2.718211e-01 2.429106e-01 0.000485 0.000060 True native_MD 6 24 31 O_AB42_3 CE1_AB42_4 1 1.073341e-03 1.982635e-06 ; 3.502818e-01 1.452688e-01 7.126621e-02 5.111463e-02 0.000485 0.003309 True native_MD 7 24 32 O_AB42_3 CE2_AB42_4 1 1.073341e-03 1.982635e-06 ; 3.502818e-01 1.452688e-01 7.126621e-02 5.111463e-02 0.000485 0.003309 True native_MD 7 24 33 O_AB42_3 CZ_AB42_4 1 1.660916e-03 4.524976e-06 ; 3.737186e-01 1.524120e-01 2.444672e-02 1.415939e-02 0.000485 0.003309 True native_MD 7 24 34 - O_AB42_3 C_AB42_4 1 0.000000e+00 8.219071e-07 ; 2.771598e-01 -8.219071e-07 9.999019e-01 9.938123e-01 0.000485 0.000060 True native_MD 4 24 35 + O_AB42_3 C_AB42_4 1 0.000000e+00 8.219033e-07 ; 2.771597e-01 -8.219033e-07 9.999019e-01 9.938123e-01 0.000485 0.000060 True native_MD 4 24 35 O_AB42_3 O_AB42_4 1 0.000000e+00 1.434123e-06 ; 2.903202e-01 -1.434123e-06 8.435802e-01 7.996620e-01 0.000485 0.000060 True native_MD 5 24 36 O_AB42_3 N_AB42_5 1 0.000000e+00 1.398254e-06 ; 2.897080e-01 -1.398254e-06 9.309125e-01 8.630819e-01 0.000485 0.000060 True native_MD 5 24 37 - O_AB42_3 H_AB42_5 1 0.000000e+00 1.432130e-08 ; 1.977699e-01 -1.432130e-08 2.302278e-01 1.532179e-01 0.000485 0.000060 True native_MD 6 24 38 - O_AB42_3 CA_AB42_5 1 0.000000e+00 3.644647e-06 ; 3.137856e-01 -3.644647e-06 6.199287e-01 4.974181e-01 0.000485 0.000060 True native_MD 6 24 39 + O_AB42_3 H_AB42_5 1 0.000000e+00 1.432153e-08 ; 1.977702e-01 -1.432153e-08 2.302278e-01 1.532179e-01 0.000485 0.000060 True native_MD 6 24 38 + O_AB42_3 CA_AB42_5 1 0.000000e+00 3.644676e-06 ; 3.137858e-01 -3.644676e-06 6.199287e-01 4.974181e-01 0.000485 0.000060 True native_MD 6 24 39 O_AB42_3 CB_AB42_5 1 1.454914e-03 4.044939e-06 ; 3.749837e-01 1.308287e-01 2.682400e-01 1.066236e-01 0.000485 0.001191 True native_MD 7 24 40 O_AB42_3 CG_AB42_5 1 6.311580e-04 8.022471e-07 ; 3.291256e-01 1.241390e-01 3.136565e-01 1.523099e-01 0.000485 0.001191 True native_MD 7 24 41 O_AB42_3 CD_AB42_5 1 5.546792e-04 5.620076e-07 ; 3.169203e-01 1.368616e-01 1.605868e-01 5.328829e-02 0.000485 0.001191 True native_MD 7 24 42 @@ -6976,8 +6976,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 O_AB42_3 O_AB42_5 1 0.000000e+00 1.520643e-06 ; 2.917409e-01 -1.520643e-06 6.349127e-02 7.725299e-02 0.000485 0.000060 True native_MD 7 24 48 O_AB42_3 N_AB42_6 1 1.297940e-04 5.419719e-08 ; 2.733928e-01 7.770923e-02 4.533779e-02 1.607283e-01 0.000485 0.002166 True native_MD 7 24 49 O_AB42_3 H_AB42_6 1 9.293775e-06 1.883977e-10 ; 1.651254e-01 1.146169e-01 3.021731e-02 8.712003e-02 0.000485 0.005316 True native_MD 7 24 50 - O_AB42_3 CA_AB42_6 1 0.000000e+00 4.544985e-06 ; 3.196117e-01 -4.544985e-06 3.934764e-02 1.336034e-01 0.000485 0.001339 True native_MD 7 24 51 - O_AB42_3 CB_AB42_6 1 0.000000e+00 2.156727e-06 ; 3.003617e-01 -2.156727e-06 3.175745e-02 1.017449e-01 0.000485 0.001191 True native_MD 7 24 52 + O_AB42_3 CA_AB42_6 1 0.000000e+00 4.545021e-06 ; 3.196119e-01 -4.545021e-06 3.934764e-02 1.336034e-01 0.000485 0.001339 True native_MD 7 24 51 + O_AB42_3 CB_AB42_6 1 0.000000e+00 2.156719e-06 ; 3.003616e-01 -2.156719e-06 3.175745e-02 1.017449e-01 0.000485 0.001191 True native_MD 7 24 52 O_AB42_3 CG_AB42_6 1 3.373227e-04 3.515260e-07 ; 3.184090e-01 8.092333e-02 1.360992e-02 4.382367e-02 0.000485 0.002166 True native_MD 7 24 53 O_AB42_3 ND1_AB42_6 1 3.194475e-04 2.895163e-07 ; 3.110849e-01 8.811824e-02 1.511649e-02 3.924665e-02 0.000485 0.002166 True native_MD 7 24 54 O_AB42_3 CD2_AB42_6 1 2.152328e-04 9.896029e-08 ; 2.778170e-01 1.170296e-01 2.443271e-02 4.079886e-02 0.000485 0.003309 True native_MD 7 24 55 @@ -6987,12 +6987,12 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 O_AB42_3 O_AB42_6 1 0.000000e+00 1.549248e-06 ; 2.921943e-01 -1.549248e-06 2.325875e-02 5.609055e-02 0.000485 0.000060 True native_MD 7 24 59 O_AB42_3 N_AB42_7 1 0.000000e+00 1.597824e-06 ; 2.929470e-01 -1.597824e-06 8.851951e-03 7.406779e-02 0.000485 0.002166 True native_MD 7 24 60 O_AB42_3 H_AB42_7 1 6.723676e-06 1.587158e-10 ; 1.693696e-01 7.120874e-02 2.942804e-03 3.110178e-02 0.000485 0.005316 True native_MD 7 24 61 - O_AB42_3 CA_AB42_7 1 0.000000e+00 4.382584e-06 ; 3.186441e-01 -4.382584e-06 7.211104e-03 6.236701e-02 0.000485 0.001339 True native_MD 7 24 62 - O_AB42_3 CB_AB42_7 1 0.000000e+00 2.115143e-06 ; 2.998748e-01 -2.115143e-06 9.102033e-03 5.845914e-02 0.000485 0.001191 True native_MD 7 24 63 - O_AB42_3 CG_AB42_7 1 0.000000e+00 8.482823e-07 ; 2.778903e-01 -8.482823e-07 5.011706e-03 3.081697e-02 0.000485 0.002166 True native_MD 7 24 64 + O_AB42_3 CA_AB42_7 1 0.000000e+00 4.382619e-06 ; 3.186443e-01 -4.382619e-06 7.211104e-03 6.236701e-02 0.000485 0.001339 True native_MD 7 24 62 + O_AB42_3 CB_AB42_7 1 0.000000e+00 2.115135e-06 ; 2.998747e-01 -2.115135e-06 9.102033e-03 5.845914e-02 0.000485 0.001191 True native_MD 7 24 63 + O_AB42_3 CG_AB42_7 1 0.000000e+00 8.482784e-07 ; 2.778902e-01 -8.482784e-07 5.011706e-03 3.081697e-02 0.000485 0.002166 True native_MD 7 24 64 O_AB42_3 OD1_AB42_7 1 0.000000e+00 1.534082e-06 ; 2.919549e-01 -1.534082e-06 1.309751e-02 3.581890e-02 0.000485 0.000060 True native_MD 7 24 65 O_AB42_3 OD2_AB42_7 1 0.000000e+00 1.534082e-06 ; 2.919549e-01 -1.534082e-06 1.309751e-02 3.581890e-02 0.000485 0.000060 True native_MD 7 24 66 - O_AB42_3 C_AB42_7 1 0.000000e+00 8.337073e-07 ; 2.774892e-01 -8.337073e-07 7.724871e-04 8.952571e-03 0.000485 0.002166 True native_MD 7 24 67 + O_AB42_3 C_AB42_7 1 0.000000e+00 8.337035e-07 ; 2.774891e-01 -8.337035e-07 7.724871e-04 8.952571e-03 0.000485 0.002166 True native_MD 7 24 67 O_AB42_3 O_AB42_7 1 0.000000e+00 1.519977e-06 ; 2.917302e-01 -1.519977e-06 2.065765e-03 1.538368e-02 0.000485 0.000060 True native_MD 7 24 68 O_AB42_3 N_AB42_8 1 1.792841e-04 1.031317e-07 ; 2.883866e-01 7.791686e-02 2.130029e-03 7.504454e-03 0.000485 0.002166 True native_MD 7 24 69 O_AB42_3 H_AB42_8 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 24 70 @@ -7284,41 +7284,41 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 O_AB42_3 C_AB42_42 1 1.282854e-03 3.567798e-06 ; 3.750051e-01 1.153172e-01 1.882880e-03 3.212621e-05 0.000485 0.002166 True native_MD 7 24 358 O_AB42_3 O1_AB42_42 1 5.978276e-04 9.347326e-07 ; 3.406841e-01 9.558828e-02 3.411066e-03 1.952366e-04 0.000485 0.000060 True native_MD 7 24 359 O_AB42_3 O2_AB42_42 1 5.978276e-04 9.347326e-07 ; 3.406841e-01 9.558828e-02 3.411066e-03 1.952366e-04 0.000485 0.000060 True native_MD 7 24 360 - N_AB42_4 CB_AB42_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 25 28 - N_AB42_4 CD1_AB42_4 1 0.000000e+00 1.478536e-06 ; 2.910590e-01 -1.478536e-06 9.090575e-01 8.894221e-01 0.000485 0.000060 True native_MD 4 25 30 - N_AB42_4 CD2_AB42_4 1 0.000000e+00 1.478536e-06 ; 2.910590e-01 -1.478536e-06 9.090575e-01 8.894221e-01 0.000485 0.000060 True native_MD 4 25 31 - N_AB42_4 CE1_AB42_4 1 0.000000e+00 1.411167e-06 ; 2.899300e-01 -1.411167e-06 3.898638e-01 3.255585e-01 0.000485 0.000060 True native_MD 5 25 32 - N_AB42_4 CE2_AB42_4 1 0.000000e+00 1.411167e-06 ; 2.899300e-01 -1.411167e-06 3.898638e-01 3.255585e-01 0.000485 0.000060 True native_MD 5 25 33 - N_AB42_4 CZ_AB42_4 1 0.000000e+00 1.517275e-06 ; 2.916870e-01 -1.517275e-06 2.254007e-02 2.859113e-02 0.000485 0.000060 True native_MD 6 25 34 - N_AB42_4 CA_AB42_5 1 0.000000e+00 7.574435e-06 ; 3.335090e-01 -7.574435e-06 1.000000e+00 9.999261e-01 0.000485 0.000060 True native_MD 4 25 39 - N_AB42_4 CB_AB42_5 1 0.000000e+00 3.651132e-06 ; 3.138321e-01 -3.651132e-06 3.422660e-01 3.354790e-01 0.000485 0.000060 True native_MD 5 25 40 - N_AB42_4 CG_AB42_5 1 0.000000e+00 3.216400e-06 ; 3.105340e-01 -3.216400e-06 3.133802e-01 1.883336e-01 0.000485 0.000060 True native_MD 6 25 41 - N_AB42_4 CD_AB42_5 1 0.000000e+00 3.569864e-06 ; 3.132439e-01 -3.569864e-06 3.547816e-02 6.583844e-03 0.000485 0.000060 True native_MD 7 25 42 + N_AB42_4 CB_AB42_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 25 28 + N_AB42_4 CD1_AB42_4 1 0.000000e+00 1.478515e-06 ; 2.910586e-01 -1.478515e-06 9.090575e-01 8.894221e-01 0.000485 0.000060 True native_MD 4 25 30 + N_AB42_4 CD2_AB42_4 1 0.000000e+00 1.478515e-06 ; 2.910586e-01 -1.478515e-06 9.090575e-01 8.894221e-01 0.000485 0.000060 True native_MD 4 25 31 + N_AB42_4 CE1_AB42_4 1 0.000000e+00 1.411147e-06 ; 2.899297e-01 -1.411147e-06 3.898638e-01 3.255585e-01 0.000485 0.000060 True native_MD 5 25 32 + N_AB42_4 CE2_AB42_4 1 0.000000e+00 1.411147e-06 ; 2.899297e-01 -1.411147e-06 3.898638e-01 3.255585e-01 0.000485 0.000060 True native_MD 5 25 33 + N_AB42_4 CZ_AB42_4 1 0.000000e+00 1.517253e-06 ; 2.916866e-01 -1.517253e-06 2.254007e-02 2.859113e-02 0.000485 0.000060 True native_MD 6 25 34 + N_AB42_4 CA_AB42_5 1 0.000000e+00 7.574423e-06 ; 3.335089e-01 -7.574423e-06 1.000000e+00 9.999261e-01 0.000485 0.000060 True native_MD 4 25 39 + N_AB42_4 CB_AB42_5 1 0.000000e+00 3.651084e-06 ; 3.138317e-01 -3.651084e-06 3.422660e-01 3.354790e-01 0.000485 0.000060 True native_MD 5 25 40 + N_AB42_4 CG_AB42_5 1 0.000000e+00 3.216358e-06 ; 3.105337e-01 -3.216358e-06 3.133802e-01 1.883336e-01 0.000485 0.000060 True native_MD 6 25 41 + N_AB42_4 CD_AB42_5 1 0.000000e+00 3.569817e-06 ; 3.132436e-01 -3.569817e-06 3.547816e-02 6.583844e-03 0.000485 0.000060 True native_MD 7 25 42 N_AB42_4 NE_AB42_5 1 8.646300e-04 2.104671e-06 ; 3.667687e-01 8.880070e-02 8.515233e-04 3.353208e-04 0.000485 0.002166 True native_MD 7 25 43 N_AB42_4 CZ_AB42_5 1 1.349890e-03 3.991877e-06 ; 3.788609e-01 1.141194e-01 1.816583e-03 2.165819e-04 0.000485 0.002166 True native_MD 7 25 44 - N_AB42_4 NH1_AB42_5 1 0.000000e+00 8.731159e-07 ; 2.785593e-01 -8.731159e-07 3.454057e-03 9.656585e-04 0.000485 0.000060 True native_MD 7 25 45 - N_AB42_4 NH2_AB42_5 1 0.000000e+00 8.731159e-07 ; 2.785593e-01 -8.731159e-07 3.454057e-03 9.656585e-04 0.000485 0.000060 True native_MD 7 25 46 - N_AB42_4 C_AB42_5 1 0.000000e+00 1.526632e-06 ; 2.918365e-01 -1.526632e-06 5.087704e-02 6.313279e-02 0.000485 0.000060 True native_MD 5 25 47 + N_AB42_4 NH1_AB42_5 1 0.000000e+00 8.731068e-07 ; 2.785591e-01 -8.731068e-07 3.454057e-03 9.656585e-04 0.000485 0.000060 True native_MD 7 25 45 + N_AB42_4 NH2_AB42_5 1 0.000000e+00 8.731068e-07 ; 2.785591e-01 -8.731068e-07 3.454057e-03 9.656585e-04 0.000485 0.000060 True native_MD 7 25 46 + N_AB42_4 C_AB42_5 1 0.000000e+00 1.526611e-06 ; 2.918361e-01 -1.526611e-06 5.087704e-02 6.313279e-02 0.000485 0.000060 True native_MD 5 25 47 N_AB42_4 O_AB42_5 1 0.000000e+00 1.535830e-06 ; 2.919826e-01 -1.535830e-06 6.152218e-02 8.540878e-02 0.000485 0.000060 True native_MD 6 25 48 - N_AB42_4 N_AB42_6 1 0.000000e+00 9.172406e-07 ; 2.797061e-01 -9.172406e-07 3.143251e-02 7.935541e-02 0.000485 0.000060 True native_MD 6 25 49 + N_AB42_4 N_AB42_6 1 0.000000e+00 9.172310e-07 ; 2.797059e-01 -9.172310e-07 3.143251e-02 7.935541e-02 0.000485 0.000060 True native_MD 6 25 49 N_AB42_4 CA_AB42_6 1 3.165498e-03 3.187664e-05 ; 4.646990e-01 7.858715e-02 1.791183e-02 3.823067e-02 0.000485 0.001339 True native_MD 7 25 51 - N_AB42_4 CB_AB42_6 1 0.000000e+00 3.707570e-06 ; 3.142335e-01 -3.707570e-06 2.612538e-03 1.117839e-02 0.000485 0.000060 True native_MD 7 25 52 + N_AB42_4 CB_AB42_6 1 0.000000e+00 3.707522e-06 ; 3.142331e-01 -3.707522e-06 2.612538e-03 1.117839e-02 0.000485 0.000060 True native_MD 7 25 52 N_AB42_4 CG_AB42_6 1 1.433559e-03 6.361465e-06 ; 4.053750e-01 8.076333e-02 6.694800e-04 1.785711e-03 0.000485 0.002166 True native_MD 7 25 53 N_AB42_4 ND1_AB42_6 1 9.111634e-04 1.882300e-06 ; 3.568744e-01 1.102665e-01 5.824964e-03 7.794457e-03 0.000485 0.002166 True native_MD 7 25 54 N_AB42_4 CD2_AB42_6 1 1.562266e-03 4.086752e-06 ; 3.711965e-01 1.493041e-01 1.557121e-02 9.897670e-03 0.000485 0.003309 True native_MD 7 25 55 N_AB42_4 CE1_AB42_6 1 1.550323e-03 3.873809e-06 ; 3.683715e-01 1.551123e-01 1.766193e-02 9.435412e-03 0.000485 0.003309 True native_MD 7 25 56 N_AB42_4 NE2_AB42_6 1 1.198028e-03 2.274439e-06 ; 3.518854e-01 1.577609e-01 2.416539e-02 7.805802e-03 0.000485 0.002166 True native_MD 7 25 57 N_AB42_4 O_AB42_6 1 7.056111e-04 1.269852e-06 ; 3.487637e-01 9.802072e-02 6.243231e-03 1.205202e-02 0.000485 0.002166 True native_MD 7 25 59 - N_AB42_4 N_AB42_7 1 0.000000e+00 8.758183e-07 ; 2.786310e-01 -8.758183e-07 5.436199e-04 1.142579e-03 0.000485 0.000060 True native_MD 7 25 60 - N_AB42_4 CA_AB42_7 1 0.000000e+00 7.617832e-06 ; 3.336678e-01 -7.617832e-06 2.666850e-03 8.321979e-03 0.000485 0.001339 True native_MD 7 25 62 - N_AB42_4 CB_AB42_7 1 0.000000e+00 3.735864e-06 ; 3.144326e-01 -3.735864e-06 6.331041e-03 2.259368e-02 0.000485 0.000060 True native_MD 7 25 63 + N_AB42_4 N_AB42_7 1 0.000000e+00 8.758091e-07 ; 2.786308e-01 -8.758091e-07 5.436199e-04 1.142579e-03 0.000485 0.000060 True native_MD 7 25 60 + N_AB42_4 CA_AB42_7 1 0.000000e+00 7.617820e-06 ; 3.336677e-01 -7.617820e-06 2.666850e-03 8.321979e-03 0.000485 0.001339 True native_MD 7 25 62 + N_AB42_4 CB_AB42_7 1 0.000000e+00 3.735815e-06 ; 3.144323e-01 -3.735815e-06 6.331041e-03 2.259368e-02 0.000485 0.000060 True native_MD 7 25 63 N_AB42_4 CG_AB42_7 1 5.869721e-04 1.065540e-06 ; 3.492679e-01 8.083606e-02 1.852839e-03 5.981633e-03 0.000485 0.002166 True native_MD 7 25 64 N_AB42_4 OD1_AB42_7 1 1.310322e-04 4.994923e-08 ; 2.692724e-01 8.593450e-02 4.697698e-03 1.302022e-02 0.000485 0.002166 True native_MD 7 25 65 N_AB42_4 OD2_AB42_7 1 1.310322e-04 4.994923e-08 ; 2.692724e-01 8.593450e-02 4.697698e-03 1.302022e-02 0.000485 0.002166 True native_MD 7 25 66 N_AB42_4 O_AB42_7 1 1.555182e-04 7.252453e-08 ; 2.784736e-01 8.337146e-02 2.616903e-03 7.831223e-03 0.000485 0.002166 True native_MD 7 25 68 N_AB42_4 N_AB42_8 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 9.126994e-05 1.179832e-04 0.000485 0.000060 True native_MD 7 25 69 N_AB42_4 CA_AB42_8 1 2.748975e-03 1.940709e-05 ; 4.379908e-01 9.734667e-02 1.883587e-03 2.293224e-03 0.000485 0.001339 True native_MD 7 25 71 - N_AB42_4 CB_AB42_8 1 0.000000e+00 3.682567e-06 ; 3.140563e-01 -3.682567e-06 2.212102e-03 3.976272e-03 0.000485 0.000060 True native_MD 7 25 72 + N_AB42_4 CB_AB42_8 1 0.000000e+00 3.682518e-06 ; 3.140560e-01 -3.682518e-06 2.212102e-03 3.976272e-03 0.000485 0.000060 True native_MD 7 25 72 N_AB42_4 OG_AB42_8 1 4.240388e-04 5.837642e-07 ; 3.335329e-01 7.700406e-02 8.705494e-04 3.152019e-03 0.000485 0.002166 True native_MD 7 25 73 N_AB42_4 C_AB42_8 1 6.676614e-04 1.502626e-06 ; 3.620060e-01 7.416545e-02 5.495246e-04 9.324359e-05 0.000485 0.002166 True native_MD 7 25 74 N_AB42_4 O_AB42_8 1 1.596994e-04 5.460718e-08 ; 2.644383e-01 1.167607e-01 1.965999e-03 5.764566e-04 0.000485 0.002166 True native_MD 7 25 75 @@ -7328,7 +7328,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_4 O_AB42_9 1 1.684782e-04 7.400748e-08 ; 2.757118e-01 9.588528e-02 1.052622e-03 4.667158e-04 0.000485 0.002166 True native_MD 7 25 80 N_AB42_4 N_AB42_10 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.586800e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 25 81 N_AB42_4 CA_AB42_10 1 2.909584e-03 1.807731e-05 ; 4.287628e-01 1.170761e-01 1.984643e-03 5.773197e-04 0.000485 0.001339 True native_MD 7 25 83 - N_AB42_4 CB_AB42_10 1 0.000000e+00 3.672906e-06 ; 3.139876e-01 -3.672906e-06 1.888535e-03 1.024760e-03 0.000485 0.000060 True native_MD 7 25 84 + N_AB42_4 CB_AB42_10 1 0.000000e+00 3.672858e-06 ; 3.139872e-01 -3.672858e-06 1.888535e-03 1.024760e-03 0.000485 0.000060 True native_MD 7 25 84 N_AB42_4 CG_AB42_10 1 1.311879e-03 4.700366e-06 ; 3.911767e-01 9.153685e-02 9.241817e-04 2.390386e-04 0.000485 0.003309 True native_MD 7 25 85 N_AB42_4 CD1_AB42_10 1 8.343204e-04 1.377990e-06 ; 3.438103e-01 1.262873e-01 2.614552e-03 1.067212e-03 0.000485 0.003309 True native_MD 7 25 86 N_AB42_4 CD2_AB42_10 1 8.343204e-04 1.377990e-06 ; 3.438103e-01 1.262873e-01 2.614552e-03 1.067212e-03 0.000485 0.003309 True native_MD 7 25 87 @@ -7339,7 +7339,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_4 N_AB42_11 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 3.865836e-06 0.000000e+00 0.000485 0.000060 True native_MD 7 25 94 N_AB42_4 CA_AB42_11 1 2.511106e-03 2.191769e-05 ; 4.537552e-01 7.192424e-02 5.138766e-04 9.969534e-05 0.000485 0.001339 True native_MD 7 25 96 N_AB42_4 CB_AB42_11 1 1.399219e-03 5.454637e-06 ; 3.967163e-01 8.973157e-02 1.897205e-03 1.293907e-04 0.000485 0.000060 True native_MD 7 25 97 - N_AB42_4 CG_AB42_11 1 0.000000e+00 3.666815e-06 ; 3.139442e-01 -3.666815e-06 2.957499e-03 4.366542e-04 0.000485 0.000060 True native_MD 7 25 98 + N_AB42_4 CG_AB42_11 1 0.000000e+00 3.666767e-06 ; 3.139438e-01 -3.666767e-06 2.957499e-03 4.366542e-04 0.000485 0.000060 True native_MD 7 25 98 N_AB42_4 CD_AB42_11 1 2.884412e-04 1.673215e-07 ; 2.887902e-01 1.243091e-01 2.464265e-03 5.059881e-04 0.000485 0.002166 True native_MD 7 25 99 N_AB42_4 OE1_AB42_11 1 1.927015e-04 6.372316e-08 ; 2.629675e-01 1.456844e-01 4.671916e-03 8.471946e-04 0.000485 0.002166 True native_MD 7 25 100 N_AB42_4 OE2_AB42_11 1 1.927015e-04 6.372316e-08 ; 2.629675e-01 1.456844e-01 4.671916e-03 8.471946e-04 0.000485 0.002166 True native_MD 7 25 101 @@ -7347,8 +7347,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_4 N_AB42_12 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 6.949848e-05 0.000000e+00 0.000485 0.000060 True native_MD 7 25 104 N_AB42_4 CA_AB42_12 1 2.274033e-03 1.437183e-05 ; 4.299842e-01 8.995420e-02 8.814309e-04 0.000000e+00 0.000485 0.001339 True native_MD 7 25 106 N_AB42_4 CB_AB42_12 1 2.361552e-03 1.407633e-05 ; 4.258095e-01 9.904793e-02 2.896582e-03 1.494834e-04 0.000485 0.000060 True native_MD 7 25 107 - N_AB42_4 CG1_AB42_12 1 0.000000e+00 2.737916e-06 ; 3.063938e-01 -2.737916e-06 2.353637e-03 5.269729e-04 0.000485 0.000060 True native_MD 7 25 108 - N_AB42_4 CG2_AB42_12 1 0.000000e+00 2.737293e-06 ; 3.063880e-01 -2.737293e-06 2.825862e-03 7.720890e-04 0.000485 0.000060 True native_MD 7 25 109 + N_AB42_4 CG1_AB42_12 1 0.000000e+00 2.737890e-06 ; 3.063936e-01 -2.737890e-06 2.353637e-03 5.269729e-04 0.000485 0.000060 True native_MD 7 25 108 + N_AB42_4 CG2_AB42_12 1 0.000000e+00 2.737267e-06 ; 3.063878e-01 -2.737267e-06 2.825862e-03 7.720890e-04 0.000485 0.000060 True native_MD 7 25 109 N_AB42_4 N_AB42_13 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 7.014931e-05 0.000000e+00 0.000485 0.000060 True native_MD 7 25 112 N_AB42_4 CA_AB42_13 1 2.723605e-03 1.608741e-05 ; 4.251645e-01 1.152769e-01 1.880611e-03 3.358305e-04 0.000485 0.001339 True native_MD 7 25 114 N_AB42_4 CB_AB42_13 1 7.226495e-04 1.793646e-06 ; 3.679608e-01 7.278780e-02 2.841522e-03 3.217750e-04 0.000485 0.000060 True native_MD 7 25 115 @@ -7384,7 +7384,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_4 CG_AB42_16 1 1.452547e-03 4.330541e-06 ; 3.793750e-01 1.218030e-01 2.960210e-03 7.731950e-05 0.000485 0.000060 True native_MD 7 25 148 N_AB42_4 CD_AB42_16 1 1.848041e-03 6.648767e-06 ; 3.914458e-01 1.284169e-01 4.436603e-03 9.507344e-05 0.000485 0.000060 True native_MD 7 25 149 N_AB42_4 CE_AB42_16 1 1.593455e-03 5.155697e-06 ; 3.845840e-01 1.231210e-01 5.359006e-03 1.345617e-04 0.000485 0.000060 True native_MD 7 25 150 - N_AB42_4 NZ_AB42_16 1 0.000000e+00 8.744212e-07 ; 2.785940e-01 -8.744212e-07 1.183234e-03 1.860863e-04 0.000485 0.000060 True native_MD 7 25 151 + N_AB42_4 NZ_AB42_16 1 0.000000e+00 8.744120e-07 ; 2.785937e-01 -8.744120e-07 1.183234e-03 1.860863e-04 0.000485 0.000060 True native_MD 7 25 151 N_AB42_4 C_AB42_16 1 7.092849e-04 1.516170e-06 ; 3.589119e-01 8.295327e-02 7.148246e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 25 152 N_AB42_4 O_AB42_16 1 1.147520e-04 3.128532e-08 ; 2.546420e-01 1.052252e-01 1.392068e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 25 153 N_AB42_4 N_AB42_17 1 1.005597e-03 2.962011e-06 ; 3.786115e-01 8.534961e-02 7.679695e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 25 154 @@ -7563,7 +7563,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_4 O1_AB42_42 1 9.755646e-05 2.519101e-08 ; 2.523471e-01 9.445099e-02 1.008397e-03 9.999734e-05 0.000485 0.002166 True native_MD 7 25 359 N_AB42_4 O2_AB42_42 1 9.755646e-05 2.519101e-08 ; 2.523471e-01 9.445099e-02 1.008397e-03 9.999734e-05 0.000485 0.002166 True native_MD 7 25 360 H_AB42_4 H_AB42_4 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 26 26 - H_AB42_4 O_AB42_4 1 0.000000e+00 1.438612e-08 ; 1.978443e-01 -1.438612e-08 4.784896e-01 4.056572e-01 0.000485 0.000060 True native_MD 4 26 36 + H_AB42_4 O_AB42_4 1 0.000000e+00 1.438635e-08 ; 1.978446e-01 -1.438635e-08 4.784896e-01 4.056572e-01 0.000485 0.000060 True native_MD 4 26 36 H_AB42_4 H_AB42_5 1 0.000000e+00 1.364220e-08 ; 1.969709e-01 -1.364220e-08 2.776239e-01 4.144736e-01 0.000485 0.000060 True native_MD 5 26 38 H_AB42_4 O_AB42_5 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 26 48 H_AB42_4 H_AB42_6 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 26 50 @@ -7654,20 +7654,20 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 H_AB42_4 H_AB42_42 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 26 355 H_AB42_4 O1_AB42_42 1 3.984025e-06 4.868622e-11 ; 1.517682e-01 8.150384e-02 6.844815e-04 3.910850e-05 0.000485 0.005316 True native_MD 7 26 359 H_AB42_4 O2_AB42_42 1 3.984025e-06 4.868622e-11 ; 1.517682e-01 8.150384e-02 6.844815e-04 3.910850e-05 0.000485 0.005316 True native_MD 7 26 360 - CA_AB42_4 CE1_AB42_4 1 0.000000e+00 1.305183e-05 ; 3.489803e-01 -1.305183e-05 1.000000e+00 9.999976e-01 0.000485 0.000060 True native_MD 4 27 32 - CA_AB42_4 CE2_AB42_4 1 0.000000e+00 1.305183e-05 ; 3.489803e-01 -1.305183e-05 1.000000e+00 9.999976e-01 0.000485 0.000060 True native_MD 4 27 33 - CA_AB42_4 CZ_AB42_4 1 0.000000e+00 1.304600e-05 ; 3.489673e-01 -1.304600e-05 9.999957e-01 9.995467e-01 0.000485 0.000060 True native_MD 5 27 34 - CA_AB42_4 CB_AB42_5 1 0.000000e+00 3.181403e-05 ; 3.758777e-01 -3.181403e-05 9.999856e-01 9.999974e-01 0.000485 0.000060 True native_MD 4 27 40 - CA_AB42_4 CG_AB42_5 1 0.000000e+00 3.497751e-05 ; 3.788588e-01 -3.497751e-05 7.763867e-01 8.758364e-01 0.000485 0.000060 True native_MD 5 27 41 - CA_AB42_4 CD_AB42_5 1 0.000000e+00 3.131183e-05 ; 3.753796e-01 -3.131183e-05 3.132588e-01 2.974849e-01 0.000485 0.000060 True native_MD 6 27 42 + CA_AB42_4 CE1_AB42_4 1 0.000000e+00 1.305177e-05 ; 3.489802e-01 -1.305177e-05 1.000000e+00 9.999976e-01 0.000485 0.000060 True native_MD 4 27 32 + CA_AB42_4 CE2_AB42_4 1 0.000000e+00 1.305177e-05 ; 3.489802e-01 -1.305177e-05 1.000000e+00 9.999976e-01 0.000485 0.000060 True native_MD 4 27 33 + CA_AB42_4 CZ_AB42_4 1 0.000000e+00 1.304594e-05 ; 3.489672e-01 -1.304594e-05 9.999957e-01 9.995467e-01 0.000485 0.000060 True native_MD 5 27 34 + CA_AB42_4 CB_AB42_5 1 0.000000e+00 3.181389e-05 ; 3.758776e-01 -3.181389e-05 9.999856e-01 9.999974e-01 0.000485 0.000060 True native_MD 4 27 40 + CA_AB42_4 CG_AB42_5 1 0.000000e+00 3.497736e-05 ; 3.788587e-01 -3.497736e-05 7.763867e-01 8.758364e-01 0.000485 0.000060 True native_MD 5 27 41 + CA_AB42_4 CD_AB42_5 1 0.000000e+00 3.131169e-05 ; 3.753795e-01 -3.131169e-05 3.132588e-01 2.974849e-01 0.000485 0.000060 True native_MD 6 27 42 CA_AB42_4 NE_AB42_5 1 2.014818e-03 9.687046e-06 ; 4.108273e-01 1.047660e-01 1.415187e-02 1.379901e-02 0.000485 0.001339 True native_MD 7 27 43 CA_AB42_4 CZ_AB42_5 1 2.535027e-03 1.467836e-05 ; 4.237560e-01 1.094530e-01 9.413273e-03 7.977267e-03 0.000485 0.001339 True native_MD 7 27 44 CA_AB42_4 NH1_AB42_5 1 1.580869e-03 6.106604e-06 ; 3.961114e-01 1.023132e-01 2.823184e-03 2.962451e-03 0.000485 0.001339 True native_MD 7 27 45 CA_AB42_4 NH2_AB42_5 1 1.580869e-03 6.106604e-06 ; 3.961114e-01 1.023132e-01 2.823184e-03 2.962451e-03 0.000485 0.001339 True native_MD 7 27 46 - CA_AB42_4 C_AB42_5 1 0.000000e+00 1.305182e-05 ; 3.489803e-01 -1.305182e-05 1.000000e+00 9.999962e-01 0.000485 0.000060 True native_MD 4 27 47 - CA_AB42_4 O_AB42_5 1 0.000000e+00 3.212174e-06 ; 3.105000e-01 -3.212174e-06 6.139850e-01 3.873517e-01 0.000485 0.000060 True native_MD 5 27 48 - CA_AB42_4 N_AB42_6 1 0.000000e+00 8.671258e-06 ; 3.372887e-01 -8.671258e-06 5.498722e-01 6.945935e-01 0.000485 0.000060 True native_MD 5 27 49 - CA_AB42_4 CA_AB42_6 1 0.000000e+00 7.411313e-05 ; 4.033229e-01 -7.411313e-05 5.571989e-01 6.877350e-01 0.000485 0.000060 True native_MD 6 27 51 + CA_AB42_4 C_AB42_5 1 0.000000e+00 1.305175e-05 ; 3.489801e-01 -1.305175e-05 1.000000e+00 9.999962e-01 0.000485 0.000060 True native_MD 4 27 47 + CA_AB42_4 O_AB42_5 1 0.000000e+00 3.212200e-06 ; 3.105002e-01 -3.212200e-06 6.139850e-01 3.873517e-01 0.000485 0.000060 True native_MD 5 27 48 + CA_AB42_4 N_AB42_6 1 0.000000e+00 8.671244e-06 ; 3.372887e-01 -8.671244e-06 5.498722e-01 6.945935e-01 0.000485 0.000060 True native_MD 5 27 49 + CA_AB42_4 CA_AB42_6 1 0.000000e+00 7.411368e-05 ; 4.033232e-01 -7.411368e-05 5.571989e-01 6.877350e-01 0.000485 0.000060 True native_MD 6 27 51 CA_AB42_4 CB_AB42_6 1 5.354673e-03 9.426914e-05 ; 5.100422e-01 7.603899e-02 1.504626e-01 2.642933e-01 0.000485 0.001021 True native_MD 7 27 52 CA_AB42_4 CG_AB42_6 1 3.707562e-03 2.929009e-05 ; 4.462779e-01 1.173265e-01 1.372402e-01 9.188936e-02 0.000485 0.001339 True native_MD 7 27 53 CA_AB42_4 ND1_AB42_6 1 9.823281e-04 2.374664e-06 ; 3.663456e-01 1.015900e-01 1.027049e-01 1.101298e-01 0.000485 0.001339 True native_MD 7 27 54 @@ -7676,18 +7676,18 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CA_AB42_4 NE2_AB42_6 1 1.285439e-03 3.169712e-06 ; 3.675599e-01 1.303235e-01 2.050090e-01 9.303499e-02 0.000485 0.001339 True native_MD 7 27 57 CA_AB42_4 C_AB42_6 1 3.224731e-03 3.544554e-05 ; 4.715322e-01 7.334413e-02 5.173285e-02 1.291739e-01 0.000485 0.001339 True native_MD 7 27 58 CA_AB42_4 O_AB42_6 1 1.057487e-03 3.444631e-06 ; 3.850152e-01 8.116105e-02 5.113354e-02 1.010486e-01 0.000485 0.001339 True native_MD 7 27 59 - CA_AB42_4 N_AB42_7 1 0.000000e+00 8.572532e-06 ; 3.369670e-01 -8.572532e-06 4.311578e-02 1.748040e-01 0.000485 0.001339 True native_MD 7 27 60 - CA_AB42_4 CA_AB42_7 1 0.000000e+00 7.731409e-05 ; 4.047466e-01 -7.731409e-05 5.925881e-02 2.386229e-01 0.000485 0.000883 True native_MD 7 27 62 - CA_AB42_4 CB_AB42_7 1 0.000000e+00 3.654657e-05 ; 3.802468e-01 -3.654657e-05 5.094452e-02 1.997144e-01 0.000485 0.001021 True native_MD 7 27 63 - CA_AB42_4 CG_AB42_7 1 0.000000e+00 1.381197e-05 ; 3.506305e-01 -1.381197e-05 3.152496e-02 8.976231e-02 0.000485 0.001339 True native_MD 7 27 64 - CA_AB42_4 OD1_AB42_7 1 0.000000e+00 3.464089e-06 ; 3.124598e-01 -3.464089e-06 1.353653e-02 4.383805e-02 0.000485 0.001339 True native_MD 7 27 65 - CA_AB42_4 OD2_AB42_7 1 0.000000e+00 3.464089e-06 ; 3.124598e-01 -3.464089e-06 1.353653e-02 4.383805e-02 0.000485 0.001339 True native_MD 7 27 66 + CA_AB42_4 N_AB42_7 1 0.000000e+00 8.572519e-06 ; 3.369670e-01 -8.572519e-06 4.311578e-02 1.748040e-01 0.000485 0.001339 True native_MD 7 27 60 + CA_AB42_4 CA_AB42_7 1 0.000000e+00 7.731465e-05 ; 4.047469e-01 -7.731465e-05 5.925881e-02 2.386229e-01 0.000485 0.000883 True native_MD 7 27 62 + CA_AB42_4 CB_AB42_7 1 0.000000e+00 3.654641e-05 ; 3.802466e-01 -3.654641e-05 5.094452e-02 1.997144e-01 0.000485 0.001021 True native_MD 7 27 63 + CA_AB42_4 CG_AB42_7 1 0.000000e+00 1.381190e-05 ; 3.506303e-01 -1.381190e-05 3.152496e-02 8.976231e-02 0.000485 0.001339 True native_MD 7 27 64 + CA_AB42_4 OD1_AB42_7 1 0.000000e+00 3.464118e-06 ; 3.124600e-01 -3.464118e-06 1.353653e-02 4.383805e-02 0.000485 0.001339 True native_MD 7 27 65 + CA_AB42_4 OD2_AB42_7 1 0.000000e+00 3.464118e-06 ; 3.124600e-01 -3.464118e-06 1.353653e-02 4.383805e-02 0.000485 0.001339 True native_MD 7 27 66 CA_AB42_4 C_AB42_7 1 1.684243e-03 8.529243e-06 ; 4.143980e-01 8.314555e-02 2.375852e-02 4.424273e-02 0.000485 0.001339 True native_MD 7 27 67 CA_AB42_4 O_AB42_7 1 3.127563e-04 3.306536e-07 ; 3.191743e-01 7.395693e-02 1.714157e-02 4.202469e-02 0.000485 0.001339 True native_MD 7 27 68 CA_AB42_4 N_AB42_8 1 2.133104e-03 1.329571e-05 ; 4.289927e-01 8.555646e-02 1.431785e-02 2.480687e-02 0.000485 0.001339 True native_MD 7 27 69 - CA_AB42_4 CA_AB42_8 1 0.000000e+00 6.726094e-05 ; 4.000755e-01 -6.726094e-05 2.902996e-02 5.504138e-02 0.000485 0.000883 True native_MD 7 27 71 - CA_AB42_4 CB_AB42_8 1 0.000000e+00 3.279160e-05 ; 3.768269e-01 -3.279160e-05 1.868437e-02 4.942423e-02 0.000485 0.001021 True native_MD 7 27 72 - CA_AB42_4 OG_AB42_8 1 0.000000e+00 5.844469e-06 ; 3.263802e-01 -5.844469e-06 7.453478e-03 2.641018e-02 0.000485 0.001339 True native_MD 7 27 73 + CA_AB42_4 CA_AB42_8 1 0.000000e+00 6.726143e-05 ; 4.000757e-01 -6.726143e-05 2.902996e-02 5.504138e-02 0.000485 0.000883 True native_MD 7 27 71 + CA_AB42_4 CB_AB42_8 1 0.000000e+00 3.279146e-05 ; 3.768268e-01 -3.279146e-05 1.868437e-02 4.942423e-02 0.000485 0.001021 True native_MD 7 27 72 + CA_AB42_4 OG_AB42_8 1 0.000000e+00 5.844449e-06 ; 3.263801e-01 -5.844449e-06 7.453478e-03 2.641018e-02 0.000485 0.001339 True native_MD 7 27 73 CA_AB42_4 C_AB42_8 1 2.766003e-03 1.400616e-05 ; 4.143917e-01 1.365608e-01 9.307741e-03 3.504666e-03 0.000485 0.001339 True native_MD 7 27 74 CA_AB42_4 O_AB42_8 1 5.382821e-04 5.615593e-07 ; 3.184669e-01 1.289924e-01 6.119226e-03 2.889832e-03 0.000485 0.001339 True native_MD 7 27 75 CA_AB42_4 N_AB42_9 1 3.373922e-03 1.937660e-05 ; 4.231787e-01 1.468698e-01 1.260625e-02 3.486675e-03 0.000485 0.001339 True native_MD 7 27 76 @@ -7941,49 +7941,49 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CA_AB42_4 C_AB42_42 1 1.510469e-03 4.780576e-06 ; 3.831729e-01 1.193118e-01 2.121967e-03 2.965807e-04 0.000485 0.001339 True native_MD 7 27 358 CA_AB42_4 O1_AB42_42 1 4.067445e-04 4.211387e-07 ; 3.180660e-01 9.821060e-02 1.128480e-03 3.009472e-04 0.000485 0.001339 True native_MD 7 27 359 CA_AB42_4 O2_AB42_42 1 4.067445e-04 4.211387e-07 ; 3.180660e-01 9.821060e-02 1.128480e-03 3.009472e-04 0.000485 0.001339 True native_MD 7 27 360 - CB_AB42_4 CZ_AB42_4 1 0.000000e+00 6.333992e-06 ; 3.285752e-01 -6.333992e-06 9.999951e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 28 34 - CB_AB42_4 C_AB42_4 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 35 + CB_AB42_4 CZ_AB42_4 1 0.000000e+00 6.333886e-06 ; 3.285748e-01 -6.333886e-06 9.999951e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 28 34 + CB_AB42_4 C_AB42_4 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 35 CB_AB42_4 O_AB42_4 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 36 - CB_AB42_4 N_AB42_5 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 37 - CB_AB42_4 CA_AB42_5 1 0.000000e+00 3.181365e-05 ; 3.758773e-01 -3.181365e-05 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 28 39 - CB_AB42_4 CB_AB42_5 1 0.000000e+00 1.782392e-05 ; 3.581613e-01 -1.782392e-05 4.301815e-01 5.846629e-01 0.000485 0.000060 True native_MD 5 28 40 - CB_AB42_4 CG_AB42_5 1 0.000000e+00 1.748496e-05 ; 3.575886e-01 -1.748496e-05 1.521724e-01 2.846987e-01 0.000485 0.000060 True native_MD 6 28 41 - CB_AB42_4 CD_AB42_5 1 0.000000e+00 1.600360e-05 ; 3.549603e-01 -1.600360e-05 1.836970e-02 5.494638e-02 0.000485 0.001190 True native_MD 7 28 42 - CB_AB42_4 NE_AB42_5 1 0.000000e+00 3.695516e-06 ; 3.141482e-01 -3.695516e-06 1.907618e-03 7.194388e-03 0.000485 0.000060 True native_MD 7 28 43 - CB_AB42_4 CZ_AB42_5 1 0.000000e+00 6.362840e-06 ; 3.286997e-01 -6.362840e-06 1.843718e-03 6.403046e-03 0.000485 0.000060 True native_MD 7 28 44 - CB_AB42_4 NH1_AB42_5 1 0.000000e+00 3.682404e-06 ; 3.140552e-01 -3.682404e-06 8.780635e-04 2.597816e-03 0.000485 0.000060 True native_MD 7 28 45 - CB_AB42_4 NH2_AB42_5 1 0.000000e+00 3.682404e-06 ; 3.140552e-01 -3.682404e-06 8.780635e-04 2.597816e-03 0.000485 0.000060 True native_MD 7 28 46 - CB_AB42_4 C_AB42_5 1 0.000000e+00 6.121859e-06 ; 3.276438e-01 -6.121859e-06 5.006645e-01 4.671780e-01 0.000485 0.000060 True native_MD 5 28 47 - CB_AB42_4 O_AB42_5 1 0.000000e+00 1.952116e-06 ; 2.978771e-01 -1.952116e-06 1.631065e-01 1.315832e-01 0.000485 0.000060 True native_MD 6 28 48 - CB_AB42_4 N_AB42_6 1 0.000000e+00 4.165639e-06 ; 3.172988e-01 -4.165639e-06 1.368745e-01 2.700481e-01 0.000485 0.000060 True native_MD 6 28 49 + CB_AB42_4 N_AB42_5 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 37 + CB_AB42_4 CA_AB42_5 1 0.000000e+00 3.181352e-05 ; 3.758772e-01 -3.181352e-05 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 28 39 + CB_AB42_4 CB_AB42_5 1 0.000000e+00 1.782364e-05 ; 3.581608e-01 -1.782364e-05 4.301815e-01 5.846629e-01 0.000485 0.000060 True native_MD 5 28 40 + CB_AB42_4 CG_AB42_5 1 0.000000e+00 1.748468e-05 ; 3.575882e-01 -1.748468e-05 1.521724e-01 2.846987e-01 0.000485 0.000060 True native_MD 6 28 41 + CB_AB42_4 CD_AB42_5 1 0.000000e+00 1.600335e-05 ; 3.549599e-01 -1.600335e-05 1.836970e-02 5.494638e-02 0.000485 0.001190 True native_MD 7 28 42 + CB_AB42_4 NE_AB42_5 1 0.000000e+00 3.695468e-06 ; 3.141479e-01 -3.695468e-06 1.907618e-03 7.194388e-03 0.000485 0.000060 True native_MD 7 28 43 + CB_AB42_4 CZ_AB42_5 1 0.000000e+00 6.362733e-06 ; 3.286992e-01 -6.362733e-06 1.843718e-03 6.403046e-03 0.000485 0.000060 True native_MD 7 28 44 + CB_AB42_4 NH1_AB42_5 1 0.000000e+00 3.682355e-06 ; 3.140548e-01 -3.682355e-06 8.780635e-04 2.597816e-03 0.000485 0.000060 True native_MD 7 28 45 + CB_AB42_4 NH2_AB42_5 1 0.000000e+00 3.682355e-06 ; 3.140548e-01 -3.682355e-06 8.780635e-04 2.597816e-03 0.000485 0.000060 True native_MD 7 28 46 + CB_AB42_4 C_AB42_5 1 0.000000e+00 6.121756e-06 ; 3.276433e-01 -6.121756e-06 5.006645e-01 4.671780e-01 0.000485 0.000060 True native_MD 5 28 47 + CB_AB42_4 O_AB42_5 1 0.000000e+00 1.952109e-06 ; 2.978770e-01 -1.952109e-06 1.631065e-01 1.315832e-01 0.000485 0.000060 True native_MD 6 28 48 + CB_AB42_4 N_AB42_6 1 0.000000e+00 4.165584e-06 ; 3.172985e-01 -4.165584e-06 1.368745e-01 2.700481e-01 0.000485 0.000060 True native_MD 6 28 49 CB_AB42_4 CA_AB42_6 1 4.077097e-03 5.224308e-05 ; 4.837411e-01 7.954506e-02 1.800641e-01 2.847853e-01 0.000485 0.001021 True native_MD 7 28 51 - CB_AB42_4 CB_AB42_6 1 0.000000e+00 1.679518e-05 ; 3.563913e-01 -1.679518e-05 5.333170e-02 1.411800e-01 0.000485 0.001190 True native_MD 7 28 52 - CB_AB42_4 CG_AB42_6 1 0.000000e+00 6.157771e-06 ; 3.278035e-01 -6.157771e-06 9.779343e-02 6.997675e-02 0.000485 0.000060 True native_MD 7 28 53 - CB_AB42_4 ND1_AB42_6 1 0.000000e+00 4.711704e-06 ; 3.205727e-01 -4.711704e-06 9.495562e-02 7.198427e-02 0.000485 0.000060 True native_MD 7 28 54 + CB_AB42_4 CB_AB42_6 1 0.000000e+00 1.679491e-05 ; 3.563908e-01 -1.679491e-05 5.333170e-02 1.411800e-01 0.000485 0.001190 True native_MD 7 28 52 + CB_AB42_4 CG_AB42_6 1 0.000000e+00 6.157668e-06 ; 3.278031e-01 -6.157668e-06 9.779343e-02 6.997675e-02 0.000485 0.000060 True native_MD 7 28 53 + CB_AB42_4 ND1_AB42_6 1 0.000000e+00 4.711622e-06 ; 3.205722e-01 -4.711622e-06 9.495562e-02 7.198427e-02 0.000485 0.000060 True native_MD 7 28 54 CB_AB42_4 CD2_AB42_6 1 1.297313e-03 2.805930e-06 ; 3.596157e-01 1.499522e-01 1.739277e-01 7.641259e-02 0.000485 0.002332 True native_MD 7 28 55 CB_AB42_4 CE1_AB42_6 1 7.260504e-04 9.076494e-07 ; 3.282151e-01 1.451962e-01 1.630895e-01 8.261024e-02 0.000485 0.002332 True native_MD 7 28 56 - CB_AB42_4 NE2_AB42_6 1 0.000000e+00 4.240910e-06 ; 3.177727e-01 -4.240910e-06 1.905432e-01 6.994712e-02 0.000485 0.000060 True native_MD 7 28 57 - CB_AB42_4 C_AB42_6 1 0.000000e+00 6.823486e-06 ; 3.306198e-01 -6.823486e-06 2.414169e-02 1.014275e-01 0.000485 0.000060 True native_MD 7 28 58 - CB_AB42_4 O_AB42_6 1 0.000000e+00 2.116062e-06 ; 2.998857e-01 -2.116062e-06 3.096014e-02 8.077329e-02 0.000485 0.001191 True native_MD 7 28 59 - CB_AB42_4 N_AB42_7 1 0.000000e+00 3.973074e-06 ; 3.160498e-01 -3.973074e-06 1.360327e-02 9.439375e-02 0.000485 0.000060 True native_MD 7 28 60 - CB_AB42_4 CA_AB42_7 1 0.000000e+00 3.550789e-05 ; 3.793343e-01 -3.550789e-05 4.354563e-02 1.596668e-01 0.000485 0.001021 True native_MD 7 28 62 - CB_AB42_4 CB_AB42_7 1 0.000000e+00 1.709574e-05 ; 3.569184e-01 -1.709574e-05 3.883438e-02 1.461503e-01 0.000485 0.001190 True native_MD 7 28 63 - CB_AB42_4 CG_AB42_7 1 0.000000e+00 6.784389e-06 ; 3.304615e-01 -6.784389e-06 1.692393e-02 8.803705e-02 0.000485 0.000060 True native_MD 7 28 64 - CB_AB42_4 OD1_AB42_7 1 0.000000e+00 1.693209e-06 ; 2.943659e-01 -1.693209e-06 6.630187e-03 4.435687e-02 0.000485 0.000060 True native_MD 7 28 65 - CB_AB42_4 OD2_AB42_7 1 0.000000e+00 1.693209e-06 ; 2.943659e-01 -1.693209e-06 6.630187e-03 4.435687e-02 0.000485 0.000060 True native_MD 7 28 66 - CB_AB42_4 C_AB42_7 1 0.000000e+00 6.465766e-06 ; 3.291395e-01 -6.465766e-06 1.945205e-02 4.026136e-02 0.000485 0.000060 True native_MD 7 28 67 + CB_AB42_4 NE2_AB42_6 1 0.000000e+00 4.240837e-06 ; 3.177722e-01 -4.240837e-06 1.905432e-01 6.994712e-02 0.000485 0.000060 True native_MD 7 28 57 + CB_AB42_4 C_AB42_6 1 0.000000e+00 6.823372e-06 ; 3.306193e-01 -6.823372e-06 2.414169e-02 1.014275e-01 0.000485 0.000060 True native_MD 7 28 58 + CB_AB42_4 O_AB42_6 1 0.000000e+00 2.116055e-06 ; 2.998856e-01 -2.116055e-06 3.096014e-02 8.077329e-02 0.000485 0.001191 True native_MD 7 28 59 + CB_AB42_4 N_AB42_7 1 0.000000e+00 3.973022e-06 ; 3.160495e-01 -3.973022e-06 1.360327e-02 9.439375e-02 0.000485 0.000060 True native_MD 7 28 60 + CB_AB42_4 CA_AB42_7 1 0.000000e+00 3.550774e-05 ; 3.793341e-01 -3.550774e-05 4.354563e-02 1.596668e-01 0.000485 0.001021 True native_MD 7 28 62 + CB_AB42_4 CB_AB42_7 1 0.000000e+00 1.709547e-05 ; 3.569180e-01 -1.709547e-05 3.883438e-02 1.461503e-01 0.000485 0.001190 True native_MD 7 28 63 + CB_AB42_4 CG_AB42_7 1 0.000000e+00 6.784275e-06 ; 3.304611e-01 -6.784275e-06 1.692393e-02 8.803705e-02 0.000485 0.000060 True native_MD 7 28 64 + CB_AB42_4 OD1_AB42_7 1 0.000000e+00 1.693203e-06 ; 2.943658e-01 -1.693203e-06 6.630187e-03 4.435687e-02 0.000485 0.000060 True native_MD 7 28 65 + CB_AB42_4 OD2_AB42_7 1 0.000000e+00 1.693203e-06 ; 2.943658e-01 -1.693203e-06 6.630187e-03 4.435687e-02 0.000485 0.000060 True native_MD 7 28 66 + CB_AB42_4 C_AB42_7 1 0.000000e+00 6.465658e-06 ; 3.291390e-01 -6.465658e-06 1.945205e-02 4.026136e-02 0.000485 0.000060 True native_MD 7 28 67 CB_AB42_4 O_AB42_7 1 2.568843e-04 2.187491e-07 ; 3.078705e-01 7.541690e-02 1.630575e-02 3.402820e-02 0.000485 0.001191 True native_MD 7 28 68 - CB_AB42_4 N_AB42_8 1 0.000000e+00 3.701507e-06 ; 3.141906e-01 -3.701507e-06 1.051817e-02 1.743470e-02 0.000485 0.000060 True native_MD 7 28 69 + CB_AB42_4 N_AB42_8 1 0.000000e+00 3.701459e-06 ; 3.141903e-01 -3.701459e-06 1.051817e-02 1.743470e-02 0.000485 0.000060 True native_MD 7 28 69 CB_AB42_4 CA_AB42_8 1 1.806597e-03 1.018808e-05 ; 4.218958e-01 8.008852e-02 2.725315e-02 4.240763e-02 0.000485 0.001021 True native_MD 7 28 71 CB_AB42_4 CB_AB42_8 1 1.015249e-03 3.525450e-06 ; 3.891410e-01 7.309215e-02 1.571260e-02 3.514320e-02 0.000485 0.001190 True native_MD 7 28 72 - CB_AB42_4 OG_AB42_8 1 0.000000e+00 2.820239e-06 ; 3.071512e-01 -2.820239e-06 7.572649e-03 2.076926e-02 0.000485 0.000060 True native_MD 7 28 73 - CB_AB42_4 C_AB42_8 1 0.000000e+00 6.281703e-06 ; 3.283483e-01 -6.281703e-06 1.498792e-02 6.737540e-03 0.000485 0.000060 True native_MD 7 28 74 + CB_AB42_4 OG_AB42_8 1 0.000000e+00 2.820196e-06 ; 3.071508e-01 -2.820196e-06 7.572649e-03 2.076926e-02 0.000485 0.000060 True native_MD 7 28 73 + CB_AB42_4 C_AB42_8 1 0.000000e+00 6.281598e-06 ; 3.283479e-01 -6.281598e-06 1.498792e-02 6.737540e-03 0.000485 0.000060 True native_MD 7 28 74 CB_AB42_4 O_AB42_8 1 6.183766e-04 8.272527e-07 ; 3.319435e-01 1.155601e-01 7.818613e-03 4.907950e-03 0.000485 0.001191 True native_MD 7 28 75 - CB_AB42_4 N_AB42_9 1 0.000000e+00 3.633330e-06 ; 3.137043e-01 -3.633330e-06 1.785690e-02 6.227189e-03 0.000485 0.000060 True native_MD 7 28 76 + CB_AB42_4 N_AB42_9 1 0.000000e+00 3.633282e-06 ; 3.137039e-01 -3.633282e-06 1.785690e-02 6.227189e-03 0.000485 0.000060 True native_MD 7 28 76 CB_AB42_4 CA_AB42_9 1 1.084201e-03 2.542273e-06 ; 3.644898e-01 1.155945e-01 3.029188e-02 1.899025e-02 0.000485 0.001190 True native_MD 7 28 78 - CB_AB42_4 C_AB42_9 1 0.000000e+00 6.293060e-06 ; 3.283977e-01 -6.293060e-06 1.414609e-02 7.688731e-03 0.000485 0.000060 True native_MD 7 28 79 + CB_AB42_4 C_AB42_9 1 0.000000e+00 6.292955e-06 ; 3.283973e-01 -6.292955e-06 1.414609e-02 7.688731e-03 0.000485 0.000060 True native_MD 7 28 79 CB_AB42_4 O_AB42_9 1 5.680644e-04 7.397726e-07 ; 3.304584e-01 1.090528e-01 6.603896e-03 5.036672e-03 0.000485 0.001191 True native_MD 7 28 80 - CB_AB42_4 N_AB42_10 1 0.000000e+00 3.663139e-06 ; 3.139179e-01 -3.663139e-06 6.692019e-03 3.171351e-03 0.000485 0.000060 True native_MD 7 28 81 + CB_AB42_4 N_AB42_10 1 0.000000e+00 3.663091e-06 ; 3.139176e-01 -3.663091e-06 6.692019e-03 3.171351e-03 0.000485 0.000060 True native_MD 7 28 81 CB_AB42_4 CA_AB42_10 1 2.868657e-03 1.893218e-05 ; 4.330988e-01 1.086667e-01 1.888187e-02 1.249255e-02 0.000485 0.001021 True native_MD 7 28 83 CB_AB42_4 CB_AB42_10 1 1.255695e-03 3.609512e-06 ; 3.770747e-01 1.092095e-01 1.979168e-02 1.502005e-02 0.000485 0.001190 True native_MD 7 28 84 CB_AB42_4 CG_AB42_10 1 1.492419e-03 3.865854e-06 ; 3.705889e-01 1.440377e-01 2.174461e-02 1.140292e-02 0.000485 0.002332 True native_MD 7 28 85 @@ -7992,52 +7992,52 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_4 CE1_AB42_10 1 1.070632e-03 1.965951e-06 ; 3.499361e-01 1.457631e-01 3.331026e-02 1.658895e-02 0.000485 0.002332 True native_MD 7 28 88 CB_AB42_4 CE2_AB42_10 1 1.070632e-03 1.965951e-06 ; 3.499361e-01 1.457631e-01 3.331026e-02 1.658895e-02 0.000485 0.002332 True native_MD 7 28 89 CB_AB42_4 CZ_AB42_10 1 1.267716e-03 2.760635e-06 ; 3.600238e-01 1.455376e-01 3.649527e-02 1.829819e-02 0.000485 0.002332 True native_MD 7 28 90 - CB_AB42_4 OH_AB42_10 1 0.000000e+00 2.728691e-06 ; 3.063077e-01 -2.728691e-06 3.481262e-02 1.511982e-02 0.000485 0.000060 True native_MD 7 28 91 - CB_AB42_4 C_AB42_10 1 0.000000e+00 6.336830e-06 ; 3.285875e-01 -6.336830e-06 2.170837e-03 2.623780e-03 0.000485 0.000060 True native_MD 7 28 92 + CB_AB42_4 OH_AB42_10 1 0.000000e+00 2.728650e-06 ; 3.063073e-01 -2.728650e-06 3.481262e-02 1.511982e-02 0.000485 0.000060 True native_MD 7 28 91 + CB_AB42_4 C_AB42_10 1 0.000000e+00 6.336724e-06 ; 3.285870e-01 -6.336724e-06 2.170837e-03 2.623780e-03 0.000485 0.000060 True native_MD 7 28 92 CB_AB42_4 O_AB42_10 1 2.721638e-04 2.095790e-07 ; 3.027514e-01 8.835947e-02 2.233511e-03 3.164288e-03 0.000485 0.001191 True native_MD 7 28 93 - CB_AB42_4 N_AB42_11 1 0.000000e+00 3.675523e-06 ; 3.140062e-01 -3.675523e-06 1.095960e-03 9.440206e-04 0.000485 0.000060 True native_MD 7 28 94 + CB_AB42_4 N_AB42_11 1 0.000000e+00 3.675475e-06 ; 3.140059e-01 -3.675475e-06 1.095960e-03 9.440206e-04 0.000485 0.000060 True native_MD 7 28 94 CB_AB42_4 CA_AB42_11 1 2.448201e-03 1.382541e-05 ; 4.219929e-01 1.083818e-01 8.752334e-03 5.840268e-03 0.000485 0.001021 True native_MD 7 28 96 CB_AB42_4 CB_AB42_11 1 1.516195e-03 4.507639e-06 ; 3.791977e-01 1.274973e-01 1.106682e-02 4.858810e-03 0.000485 0.001190 True native_MD 7 28 97 CB_AB42_4 CG_AB42_11 1 1.418960e-03 4.084371e-06 ; 3.771602e-01 1.232409e-01 1.416996e-02 7.066344e-03 0.000485 0.001190 True native_MD 7 28 98 - CB_AB42_4 CD_AB42_11 1 0.000000e+00 6.313931e-06 ; 3.284884e-01 -6.313931e-06 9.464312e-03 6.301962e-03 0.000485 0.000060 True native_MD 7 28 99 - CB_AB42_4 OE1_AB42_11 1 0.000000e+00 1.630119e-06 ; 2.934359e-01 -1.630119e-06 5.017910e-03 4.078387e-03 0.000485 0.000060 True native_MD 7 28 100 - CB_AB42_4 OE2_AB42_11 1 0.000000e+00 1.630119e-06 ; 2.934359e-01 -1.630119e-06 5.017910e-03 4.078387e-03 0.000485 0.000060 True native_MD 7 28 101 - CB_AB42_4 C_AB42_11 1 0.000000e+00 6.315253e-06 ; 3.284941e-01 -6.315253e-06 4.616536e-03 1.662897e-03 0.000485 0.000060 True native_MD 7 28 102 + CB_AB42_4 CD_AB42_11 1 0.000000e+00 6.313825e-06 ; 3.284879e-01 -6.313825e-06 9.464312e-03 6.301962e-03 0.000485 0.000060 True native_MD 7 28 99 + CB_AB42_4 OE1_AB42_11 1 0.000000e+00 1.630113e-06 ; 2.934358e-01 -1.630113e-06 5.017910e-03 4.078387e-03 0.000485 0.000060 True native_MD 7 28 100 + CB_AB42_4 OE2_AB42_11 1 0.000000e+00 1.630113e-06 ; 2.934358e-01 -1.630113e-06 5.017910e-03 4.078387e-03 0.000485 0.000060 True native_MD 7 28 101 + CB_AB42_4 C_AB42_11 1 0.000000e+00 6.315147e-06 ; 3.284936e-01 -6.315147e-06 4.616536e-03 1.662897e-03 0.000485 0.000060 True native_MD 7 28 102 CB_AB42_4 O_AB42_11 1 4.586824e-04 4.032004e-07 ; 3.095053e-01 1.304497e-01 4.383454e-03 1.762265e-03 0.000485 0.001191 True native_MD 7 28 103 - CB_AB42_4 N_AB42_12 1 0.000000e+00 3.667820e-06 ; 3.139513e-01 -3.667820e-06 2.722501e-03 4.751722e-04 0.000485 0.000060 True native_MD 7 28 104 + CB_AB42_4 N_AB42_12 1 0.000000e+00 3.667772e-06 ; 3.139510e-01 -3.667772e-06 2.722501e-03 4.751722e-04 0.000485 0.000060 True native_MD 7 28 104 CB_AB42_4 CA_AB42_12 1 3.455373e-03 2.017630e-05 ; 4.243502e-01 1.479410e-01 1.573666e-02 3.214283e-03 0.000485 0.001021 True native_MD 7 28 106 CB_AB42_4 CB_AB42_12 1 2.074798e-03 7.699395e-06 ; 3.934717e-01 1.397768e-01 2.353134e-02 6.136560e-03 0.000485 0.001021 True native_MD 7 28 107 CB_AB42_4 CG1_AB42_12 1 1.564755e-03 3.594403e-06 ; 3.632426e-01 1.702966e-01 1.909510e-02 4.563265e-03 0.000485 0.002332 True native_MD 7 28 108 CB_AB42_4 CG2_AB42_12 1 1.513141e-03 3.488751e-06 ; 3.634671e-01 1.640699e-01 1.929832e-02 5.556471e-03 0.000485 0.002332 True native_MD 7 28 109 - CB_AB42_4 C_AB42_12 1 0.000000e+00 6.317221e-06 ; 3.285026e-01 -6.317221e-06 3.349069e-03 7.060900e-04 0.000485 0.000060 True native_MD 7 28 110 + CB_AB42_4 C_AB42_12 1 0.000000e+00 6.317114e-06 ; 3.285022e-01 -6.317114e-06 3.349069e-03 7.060900e-04 0.000485 0.000060 True native_MD 7 28 110 CB_AB42_4 O_AB42_12 1 4.340856e-04 4.034143e-07 ; 3.123892e-01 1.167722e-01 1.966676e-03 8.046296e-04 0.000485 0.001191 True native_MD 7 28 111 - CB_AB42_4 N_AB42_13 1 0.000000e+00 3.670833e-06 ; 3.139728e-01 -3.670833e-06 1.848574e-03 4.206766e-04 0.000485 0.000060 True native_MD 7 28 112 + CB_AB42_4 N_AB42_13 1 0.000000e+00 3.670784e-06 ; 3.139725e-01 -3.670784e-06 1.848574e-03 4.206766e-04 0.000485 0.000060 True native_MD 7 28 112 CB_AB42_4 CA_AB42_13 1 3.203276e-03 1.796195e-05 ; 4.214958e-01 1.428154e-01 1.390908e-02 3.311963e-03 0.000485 0.001021 True native_MD 7 28 114 CB_AB42_4 CB_AB42_13 1 1.699805e-03 5.181792e-06 ; 3.807853e-01 1.393986e-01 1.394098e-02 4.286704e-03 0.000485 0.001190 True native_MD 7 28 115 - CB_AB42_4 CG_AB42_13 1 0.000000e+00 6.292705e-06 ; 3.283962e-01 -6.292705e-06 9.914705e-03 3.401247e-03 0.000485 0.000060 True native_MD 7 28 116 - CB_AB42_4 ND1_AB42_13 1 0.000000e+00 4.801298e-06 ; 3.210763e-01 -4.801298e-06 9.100110e-03 4.707121e-03 0.000485 0.000060 True native_MD 7 28 117 + CB_AB42_4 CG_AB42_13 1 0.000000e+00 6.292599e-06 ; 3.283957e-01 -6.292599e-06 9.914705e-03 3.401247e-03 0.000485 0.000060 True native_MD 7 28 116 + CB_AB42_4 ND1_AB42_13 1 0.000000e+00 4.801214e-06 ; 3.210758e-01 -4.801214e-06 9.100110e-03 4.707121e-03 0.000485 0.000060 True native_MD 7 28 117 CB_AB42_4 CD2_AB42_13 1 7.982654e-04 1.072832e-06 ; 3.321983e-01 1.484919e-01 1.100000e-02 5.048565e-03 0.000485 0.002332 True native_MD 7 28 118 CB_AB42_4 CE1_AB42_13 1 7.814483e-04 1.108060e-06 ; 3.351793e-01 1.377772e-01 1.174611e-02 7.428896e-03 0.000485 0.002332 True native_MD 7 28 119 - CB_AB42_4 NE2_AB42_13 1 0.000000e+00 4.796344e-06 ; 3.210487e-01 -4.796344e-06 1.220558e-02 6.785331e-03 0.000485 0.000060 True native_MD 7 28 120 + CB_AB42_4 NE2_AB42_13 1 0.000000e+00 4.796261e-06 ; 3.210482e-01 -4.796261e-06 1.220558e-02 6.785331e-03 0.000485 0.000060 True native_MD 7 28 120 CB_AB42_4 C_AB42_13 1 8.947657e-04 2.689024e-06 ; 3.798810e-01 7.443272e-02 7.822163e-03 8.432369e-04 0.000485 0.000060 True native_MD 7 28 121 CB_AB42_4 O_AB42_13 1 5.682591e-04 5.251234e-07 ; 3.120943e-01 1.537345e-01 7.028607e-03 1.407665e-03 0.000485 0.001191 True native_MD 7 28 122 CB_AB42_4 N_AB42_14 1 1.226965e-03 3.716790e-06 ; 3.803844e-01 1.012596e-01 4.300246e-03 2.077093e-04 0.000485 0.000060 True native_MD 7 28 123 CB_AB42_4 CA_AB42_14 1 3.466635e-03 1.665553e-05 ; 4.107791e-01 1.803839e-01 2.262672e-02 1.750423e-03 0.000485 0.001021 True native_MD 7 28 125 CB_AB42_4 CB_AB42_14 1 1.833551e-03 4.935300e-06 ; 3.729667e-01 1.702991e-01 2.081126e-02 2.538194e-03 0.000485 0.001190 True native_MD 7 28 126 - CB_AB42_4 CG_AB42_14 1 0.000000e+00 6.245850e-06 ; 3.281917e-01 -6.245850e-06 1.617191e-02 2.261010e-03 0.000485 0.000060 True native_MD 7 28 127 - CB_AB42_4 ND1_AB42_14 1 0.000000e+00 4.754974e-06 ; 3.208170e-01 -4.754974e-06 1.718413e-02 3.185265e-03 0.000485 0.000060 True native_MD 7 28 128 + CB_AB42_4 CG_AB42_14 1 0.000000e+00 6.245745e-06 ; 3.281913e-01 -6.245745e-06 1.617191e-02 2.261010e-03 0.000485 0.000060 True native_MD 7 28 127 + CB_AB42_4 ND1_AB42_14 1 0.000000e+00 4.754891e-06 ; 3.208165e-01 -4.754891e-06 1.718413e-02 3.185265e-03 0.000485 0.000060 True native_MD 7 28 128 CB_AB42_4 CD2_AB42_14 1 1.018548e-03 1.449262e-06 ; 3.353726e-01 1.789601e-01 1.709013e-02 3.151629e-03 0.000485 0.002332 True native_MD 7 28 129 CB_AB42_4 CE1_AB42_14 1 1.018276e-03 1.521497e-06 ; 3.381174e-01 1.703728e-01 2.087246e-02 4.977034e-03 0.000485 0.002332 True native_MD 7 28 130 - CB_AB42_4 NE2_AB42_14 1 0.000000e+00 4.750832e-06 ; 3.207937e-01 -4.750832e-06 1.891979e-02 4.062036e-03 0.000485 0.000060 True native_MD 7 28 131 + CB_AB42_4 NE2_AB42_14 1 0.000000e+00 4.750749e-06 ; 3.207932e-01 -4.750749e-06 1.891979e-02 4.062036e-03 0.000485 0.000060 True native_MD 7 28 131 CB_AB42_4 C_AB42_14 1 1.245610e-03 3.755753e-06 ; 3.800895e-01 1.032778e-01 9.118982e-03 4.146476e-04 0.000485 0.000060 True native_MD 7 28 132 CB_AB42_4 O_AB42_14 1 5.467593e-04 4.649209e-07 ; 3.077966e-01 1.607509e-01 7.333457e-03 4.580857e-04 0.000485 0.001191 True native_MD 7 28 133 CB_AB42_4 N_AB42_15 1 1.044245e-03 2.377917e-06 ; 3.627152e-01 1.146432e-01 5.484433e-03 1.774814e-04 0.000485 0.000060 True native_MD 7 28 134 CB_AB42_4 CA_AB42_15 1 3.871340e-03 1.998639e-05 ; 4.157308e-01 1.874685e-01 1.921767e-02 1.202668e-03 0.000485 0.001021 True native_MD 7 28 136 CB_AB42_4 CB_AB42_15 1 2.069325e-03 6.115584e-06 ; 3.788217e-01 1.750489e-01 1.311515e-02 1.387612e-03 0.000485 0.001190 True native_MD 7 28 137 CB_AB42_4 CG_AB42_15 1 1.590185e-03 3.977911e-06 ; 3.684410e-01 1.589206e-01 1.427731e-02 2.447688e-03 0.000485 0.001190 True native_MD 7 28 138 - CB_AB42_4 CD_AB42_15 1 0.000000e+00 6.262736e-06 ; 3.282656e-01 -6.262736e-06 1.367865e-02 2.433739e-03 0.000485 0.000060 True native_MD 7 28 139 + CB_AB42_4 CD_AB42_15 1 0.000000e+00 6.262631e-06 ; 3.282651e-01 -6.262631e-06 1.367865e-02 2.433739e-03 0.000485 0.000060 True native_MD 7 28 139 CB_AB42_4 OE1_AB42_15 1 6.790400e-04 7.512399e-07 ; 3.215984e-01 1.534448e-01 9.948248e-03 2.009753e-03 0.000485 0.001191 True native_MD 7 28 140 - CB_AB42_4 NE2_AB42_15 1 0.000000e+00 6.272525e-06 ; 3.283083e-01 -6.272525e-06 1.201842e-02 2.779717e-03 0.000485 0.000060 True native_MD 7 28 141 + CB_AB42_4 NE2_AB42_15 1 0.000000e+00 6.272490e-06 ; 3.283082e-01 -6.272490e-06 1.201842e-02 2.779717e-03 0.000485 0.000060 True native_MD 7 28 141 CB_AB42_4 C_AB42_15 1 1.194421e-03 3.146071e-06 ; 3.716224e-01 1.133669e-01 1.266180e-02 4.256997e-04 0.000485 0.000060 True native_MD 7 28 142 CB_AB42_4 O_AB42_15 1 6.529679e-04 6.047779e-07 ; 3.122128e-01 1.762494e-01 1.166108e-02 4.548331e-04 0.000485 0.001191 True native_MD 7 28 143 CB_AB42_4 N_AB42_16 1 1.433270e-03 3.339155e-06 ; 3.640978e-01 1.538011e-01 5.968970e-03 5.984085e-05 0.000485 0.000060 True native_MD 7 28 144 @@ -8046,7 +8046,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_4 CG_AB42_16 1 2.350196e-03 7.199251e-06 ; 3.810926e-01 1.918054e-01 1.857440e-02 1.161836e-03 0.000485 0.001190 True native_MD 7 28 148 CB_AB42_4 CD_AB42_16 1 2.315981e-03 7.497735e-06 ; 3.846206e-01 1.788463e-01 1.996881e-02 1.885794e-03 0.000485 0.001190 True native_MD 7 28 149 CB_AB42_4 CE_AB42_16 1 2.451325e-03 9.277949e-06 ; 3.947679e-01 1.619160e-01 1.805545e-02 2.830006e-03 0.000485 0.001190 True native_MD 7 28 150 - CB_AB42_4 NZ_AB42_16 1 0.000000e+00 3.661643e-06 ; 3.139072e-01 -3.661643e-06 5.257493e-03 1.329751e-03 0.000485 0.000060 True native_MD 7 28 151 + CB_AB42_4 NZ_AB42_16 1 0.000000e+00 3.661595e-06 ; 3.139069e-01 -3.661595e-06 5.257493e-03 1.329751e-03 0.000485 0.000060 True native_MD 7 28 151 CB_AB42_4 C_AB42_16 1 1.514854e-03 4.847403e-06 ; 3.838749e-01 1.183512e-01 5.986567e-03 1.733832e-04 0.000485 0.000060 True native_MD 7 28 152 CB_AB42_4 O_AB42_16 1 5.850828e-04 6.120147e-07 ; 3.186085e-01 1.398340e-01 3.921567e-03 2.687200e-04 0.000485 0.001191 True native_MD 7 28 153 CB_AB42_4 N_AB42_17 1 1.879803e-03 6.115317e-06 ; 3.849324e-01 1.444593e-01 4.503735e-03 3.082471e-06 0.000485 0.000060 True native_MD 7 28 154 @@ -8073,7 +8073,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_4 CE1_AB42_19 1 1.465189e-03 2.803260e-06 ; 3.523398e-01 1.914536e-01 2.096480e-02 2.660152e-03 0.000485 0.002332 True native_MD 7 28 178 CB_AB42_4 CE2_AB42_19 1 1.465189e-03 2.803260e-06 ; 3.523398e-01 1.914536e-01 2.096480e-02 2.660152e-03 0.000485 0.002332 True native_MD 7 28 179 CB_AB42_4 CZ_AB42_19 1 1.575183e-03 3.193497e-06 ; 3.557590e-01 1.942386e-01 2.275551e-02 2.656486e-03 0.000485 0.002332 True native_MD 7 28 180 - CB_AB42_4 C_AB42_19 1 0.000000e+00 6.304365e-06 ; 3.284469e-01 -6.304365e-06 5.375777e-03 7.031406e-04 0.000485 0.000060 True native_MD 7 28 181 + CB_AB42_4 C_AB42_19 1 0.000000e+00 6.304259e-06 ; 3.284464e-01 -6.304259e-06 5.375777e-03 7.031406e-04 0.000485 0.000060 True native_MD 7 28 181 CB_AB42_4 O_AB42_19 1 5.441860e-04 5.403004e-07 ; 3.158503e-01 1.370249e-01 3.605372e-03 7.513516e-04 0.000485 0.001191 True native_MD 7 28 182 CB_AB42_4 N_AB42_20 1 1.136276e-03 3.291322e-06 ; 3.775557e-01 9.807024e-02 4.593285e-03 2.440828e-04 0.000485 0.000060 True native_MD 7 28 183 CB_AB42_4 CA_AB42_20 1 4.052842e-03 2.171971e-05 ; 4.183268e-01 1.890625e-01 1.996369e-02 1.191160e-03 0.000485 0.001021 True native_MD 7 28 185 @@ -8095,17 +8095,17 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_4 CA_AB42_22 1 2.761045e-03 1.130383e-05 ; 3.999681e-01 1.686015e-01 9.275569e-03 4.169707e-04 0.000485 0.001021 True native_MD 7 28 203 CB_AB42_4 CB_AB42_22 1 1.593887e-03 4.201817e-06 ; 3.716749e-01 1.511534e-01 5.502675e-03 6.529903e-04 0.000485 0.001190 True native_MD 7 28 204 CB_AB42_4 CG_AB42_22 1 1.607161e-03 4.281056e-06 ; 3.723190e-01 1.508370e-01 6.138394e-03 1.340369e-03 0.000485 0.001190 True native_MD 7 28 205 - CB_AB42_4 CD_AB42_22 1 0.000000e+00 6.319014e-06 ; 3.285104e-01 -6.319014e-06 3.690244e-03 1.330431e-03 0.000485 0.000060 True native_MD 7 28 206 - CB_AB42_4 OE1_AB42_22 1 0.000000e+00 1.630084e-06 ; 2.934354e-01 -1.630084e-06 1.897144e-03 9.362314e-04 0.000485 0.000060 True native_MD 7 28 207 - CB_AB42_4 OE2_AB42_22 1 0.000000e+00 1.630084e-06 ; 2.934354e-01 -1.630084e-06 1.897144e-03 9.362314e-04 0.000485 0.000060 True native_MD 7 28 208 + CB_AB42_4 CD_AB42_22 1 0.000000e+00 6.318908e-06 ; 3.285099e-01 -6.318908e-06 3.690244e-03 1.330431e-03 0.000485 0.000060 True native_MD 7 28 206 + CB_AB42_4 OE1_AB42_22 1 0.000000e+00 1.630079e-06 ; 2.934353e-01 -1.630079e-06 1.897144e-03 9.362314e-04 0.000485 0.000060 True native_MD 7 28 207 + CB_AB42_4 OE2_AB42_22 1 0.000000e+00 1.630079e-06 ; 2.934353e-01 -1.630079e-06 1.897144e-03 9.362314e-04 0.000485 0.000060 True native_MD 7 28 208 CB_AB42_4 C_AB42_22 1 1.811917e-03 5.865801e-06 ; 3.846197e-01 1.399230e-01 3.932028e-03 4.994665e-05 0.000485 0.000060 True native_MD 7 28 209 CB_AB42_4 O_AB42_22 1 5.762603e-04 6.286929e-07 ; 3.208509e-01 1.320501e-01 3.106669e-03 2.184444e-04 0.000485 0.001191 True native_MD 7 28 210 CB_AB42_4 N_AB42_23 1 8.872887e-04 1.765537e-06 ; 3.546516e-01 1.114790e-01 1.678569e-03 4.997051e-05 0.000485 0.000060 True native_MD 7 28 211 CB_AB42_4 CA_AB42_23 1 2.238766e-03 8.076296e-06 ; 3.916221e-01 1.551477e-01 6.201349e-03 8.136303e-04 0.000485 0.001021 True native_MD 7 28 213 CB_AB42_4 CB_AB42_23 1 1.346214e-03 3.208996e-06 ; 3.654903e-01 1.411883e-01 4.083768e-03 8.889493e-04 0.000485 0.001190 True native_MD 7 28 214 - CB_AB42_4 CG_AB42_23 1 0.000000e+00 6.320094e-06 ; 3.285151e-01 -6.320094e-06 3.336780e-03 1.147499e-03 0.000485 0.000060 True native_MD 7 28 215 - CB_AB42_4 OD1_AB42_23 1 0.000000e+00 1.630721e-06 ; 2.934450e-01 -1.630721e-06 1.340917e-03 7.704567e-04 0.000485 0.000060 True native_MD 7 28 216 - CB_AB42_4 OD2_AB42_23 1 0.000000e+00 1.630721e-06 ; 2.934450e-01 -1.630721e-06 1.340917e-03 7.704567e-04 0.000485 0.000060 True native_MD 7 28 217 + CB_AB42_4 CG_AB42_23 1 0.000000e+00 6.319988e-06 ; 3.285146e-01 -6.319988e-06 3.336780e-03 1.147499e-03 0.000485 0.000060 True native_MD 7 28 215 + CB_AB42_4 OD1_AB42_23 1 0.000000e+00 1.630716e-06 ; 2.934449e-01 -1.630716e-06 1.340917e-03 7.704567e-04 0.000485 0.000060 True native_MD 7 28 216 + CB_AB42_4 OD2_AB42_23 1 0.000000e+00 1.630716e-06 ; 2.934449e-01 -1.630716e-06 1.340917e-03 7.704567e-04 0.000485 0.000060 True native_MD 7 28 217 CB_AB42_4 C_AB42_23 1 1.176576e-03 3.500814e-06 ; 3.792493e-01 9.885780e-02 3.651705e-03 1.895282e-04 0.000485 0.000060 True native_MD 7 28 218 CB_AB42_4 O_AB42_23 1 7.136151e-04 9.830315e-07 ; 3.335676e-01 1.295092e-01 2.879199e-03 1.803151e-04 0.000485 0.001191 True native_MD 7 28 219 CB_AB42_4 N_AB42_24 1 1.106733e-03 2.566996e-06 ; 3.638288e-01 1.192890e-01 3.550416e-03 9.998143e-05 0.000485 0.000060 True native_MD 7 28 220 @@ -8227,20 +8227,20 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_4 N_AB42_42 1 1.287437e-03 4.113438e-06 ; 3.837778e-01 1.007365e-01 3.057760e-03 1.500253e-04 0.000485 0.000060 True native_MD 7 28 354 CB_AB42_4 CA_AB42_42 1 2.686186e-03 1.079246e-05 ; 3.987164e-01 1.671443e-01 8.879792e-03 7.674045e-04 0.000485 0.001021 True native_MD 7 28 356 CB_AB42_4 CB_AB42_42 1 1.203617e-03 2.150465e-06 ; 3.483432e-01 1.684165e-01 9.224359e-03 4.783974e-04 0.000485 0.002332 True native_MD 7 28 357 - CB_AB42_4 C_AB42_42 1 0.000000e+00 6.322620e-06 ; 3.285260e-01 -6.322620e-06 2.240395e-03 4.498430e-04 0.000485 0.000060 True native_MD 7 28 358 - CB_AB42_4 O1_AB42_42 1 0.000000e+00 1.630453e-06 ; 2.934409e-01 -1.630453e-06 1.035689e-03 3.009823e-04 0.000485 0.000060 True native_MD 7 28 359 - CB_AB42_4 O2_AB42_42 1 0.000000e+00 1.630453e-06 ; 2.934409e-01 -1.630453e-06 1.035689e-03 3.009823e-04 0.000485 0.000060 True native_MD 7 28 360 - CG_AB42_4 O_AB42_4 1 0.000000e+00 6.798192e-07 ; 2.728105e-01 -6.798192e-07 7.854898e-01 6.075771e-01 0.000485 0.000060 True native_MD 4 29 36 - CG_AB42_4 N_AB42_5 1 0.000000e+00 1.504334e-06 ; 2.914788e-01 -1.504334e-06 7.080386e-01 7.055090e-01 0.000485 0.000060 True native_MD 4 29 37 - CG_AB42_4 CA_AB42_5 1 0.000000e+00 1.267137e-05 ; 3.481211e-01 -1.267137e-05 3.616169e-01 3.324642e-01 0.000485 0.000060 True native_MD 5 29 39 - CG_AB42_4 CB_AB42_5 1 0.000000e+00 6.456072e-06 ; 3.290983e-01 -6.456072e-06 3.341462e-02 5.269338e-02 0.000485 0.000060 True native_MD 6 29 40 + CB_AB42_4 C_AB42_42 1 0.000000e+00 6.322514e-06 ; 3.285255e-01 -6.322514e-06 2.240395e-03 4.498430e-04 0.000485 0.000060 True native_MD 7 28 358 + CB_AB42_4 O1_AB42_42 1 0.000000e+00 1.630448e-06 ; 2.934409e-01 -1.630448e-06 1.035689e-03 3.009823e-04 0.000485 0.000060 True native_MD 7 28 359 + CB_AB42_4 O2_AB42_42 1 0.000000e+00 1.630448e-06 ; 2.934409e-01 -1.630448e-06 1.035689e-03 3.009823e-04 0.000485 0.000060 True native_MD 7 28 360 + CG_AB42_4 O_AB42_4 1 0.000000e+00 6.798161e-07 ; 2.728104e-01 -6.798161e-07 7.854898e-01 6.075771e-01 0.000485 0.000060 True native_MD 4 29 36 + CG_AB42_4 N_AB42_5 1 0.000000e+00 1.504313e-06 ; 2.914785e-01 -1.504313e-06 7.080386e-01 7.055090e-01 0.000485 0.000060 True native_MD 4 29 37 + CG_AB42_4 CA_AB42_5 1 0.000000e+00 1.267130e-05 ; 3.481209e-01 -1.267130e-05 3.616169e-01 3.324642e-01 0.000485 0.000060 True native_MD 5 29 39 + CG_AB42_4 CB_AB42_5 1 0.000000e+00 6.455964e-06 ; 3.290979e-01 -6.455964e-06 3.341462e-02 5.269338e-02 0.000485 0.000060 True native_MD 6 29 40 CG_AB42_4 CG_AB42_5 1 1.661424e-03 6.334223e-06 ; 3.952472e-01 1.089450e-01 3.030830e-02 4.542700e-02 0.000485 0.002332 True native_MD 7 29 41 CG_AB42_4 CD_AB42_5 1 2.970983e-03 1.883661e-05 ; 4.302132e-01 1.171488e-01 9.197153e-03 1.078412e-02 0.000485 0.002332 True native_MD 7 29 42 CG_AB42_4 NE_AB42_5 1 1.258738e-03 4.242577e-06 ; 3.872122e-01 9.336440e-02 9.761341e-04 1.549484e-03 0.000485 0.003309 True native_MD 7 29 43 CG_AB42_4 CZ_AB42_5 1 1.347867e-03 5.815084e-06 ; 4.034764e-01 7.810481e-02 6.182806e-04 9.838701e-04 0.000485 0.003309 True native_MD 7 29 44 CG_AB42_4 NH1_AB42_5 1 9.801227e-04 2.705254e-06 ; 3.745311e-01 8.877543e-02 8.508798e-04 1.583058e-03 0.000485 0.003309 True native_MD 7 29 45 CG_AB42_4 NH2_AB42_5 1 9.801227e-04 2.705254e-06 ; 3.745311e-01 8.877543e-02 8.508798e-04 1.583058e-03 0.000485 0.003309 True native_MD 7 29 46 - CG_AB42_4 C_AB42_5 1 0.000000e+00 2.371681e-06 ; 3.027492e-01 -2.371681e-06 1.660388e-01 7.872569e-02 0.000485 0.000060 True native_MD 6 29 47 + CG_AB42_4 C_AB42_5 1 0.000000e+00 2.371639e-06 ; 3.027488e-01 -2.371639e-06 1.660388e-01 7.872569e-02 0.000485 0.000060 True native_MD 6 29 47 CG_AB42_4 O_AB42_5 1 1.377837e-03 3.344832e-06 ; 3.666030e-01 1.418932e-01 7.939028e-02 6.299416e-02 0.000485 0.003309 True native_MD 7 29 48 CG_AB42_4 N_AB42_6 1 1.586876e-03 4.282611e-06 ; 3.731307e-01 1.470000e-01 7.242770e-02 4.932419e-02 0.000485 0.003309 True native_MD 7 29 49 CG_AB42_4 CA_AB42_6 1 4.211001e-03 3.348826e-05 ; 4.467706e-01 1.323787e-01 1.075687e-01 6.626184e-02 0.000485 0.001933 True native_MD 7 29 51 @@ -8255,9 +8255,9 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CG_AB42_4 N_AB42_7 1 1.217273e-03 4.363546e-06 ; 3.912088e-01 8.489391e-02 2.054833e-03 8.976444e-03 0.000485 0.003309 True native_MD 7 29 60 CG_AB42_4 CA_AB42_7 1 2.803256e-03 2.513430e-05 ; 4.557927e-01 7.816252e-02 1.466977e-02 4.577519e-02 0.000485 0.001933 True native_MD 7 29 62 CG_AB42_4 CB_AB42_7 1 1.606502e-03 7.377220e-06 ; 4.076949e-01 8.746011e-02 2.425730e-02 6.915563e-02 0.000485 0.002332 True native_MD 7 29 63 - CG_AB42_4 CG_AB42_7 1 0.000000e+00 2.687885e-06 ; 3.059233e-01 -2.687885e-06 3.539030e-03 3.791000e-02 0.000485 0.003309 True native_MD 7 29 64 - CG_AB42_4 OD1_AB42_7 1 0.000000e+00 6.841860e-07 ; 2.729561e-01 -6.841860e-07 2.496327e-03 2.458273e-02 0.000485 0.003309 True native_MD 7 29 65 - CG_AB42_4 OD2_AB42_7 1 0.000000e+00 6.841860e-07 ; 2.729561e-01 -6.841860e-07 2.496327e-03 2.458273e-02 0.000485 0.003309 True native_MD 7 29 66 + CG_AB42_4 CG_AB42_7 1 0.000000e+00 2.687838e-06 ; 3.059229e-01 -2.687838e-06 3.539030e-03 3.791000e-02 0.000485 0.003309 True native_MD 7 29 64 + CG_AB42_4 OD1_AB42_7 1 0.000000e+00 6.841830e-07 ; 2.729560e-01 -6.841830e-07 2.496327e-03 2.458273e-02 0.000485 0.003309 True native_MD 7 29 65 + CG_AB42_4 OD2_AB42_7 1 0.000000e+00 6.841830e-07 ; 2.729560e-01 -6.841830e-07 2.496327e-03 2.458273e-02 0.000485 0.003309 True native_MD 7 29 66 CG_AB42_4 C_AB42_7 1 2.229422e-03 1.036266e-05 ; 4.085198e-01 1.199095e-01 6.471101e-03 9.913193e-03 0.000485 0.003309 True native_MD 7 29 67 CG_AB42_4 O_AB42_7 1 9.572154e-04 2.042280e-06 ; 3.587988e-01 1.121616e-01 8.308418e-03 1.604957e-02 0.000485 0.003309 True native_MD 7 29 68 CG_AB42_4 N_AB42_8 1 1.407210e-03 4.582855e-06 ; 3.850019e-01 1.080244e-01 1.513703e-03 2.061455e-03 0.000485 0.003309 True native_MD 7 29 69 @@ -8512,10 +8512,10 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CG_AB42_4 CA_AB42_42 1 4.065881e-03 2.600736e-05 ; 4.308475e-01 1.589107e-01 6.940525e-03 4.697102e-04 0.000485 0.001933 True native_MD 7 29 356 CG_AB42_4 CB_AB42_42 1 1.648637e-03 4.110687e-06 ; 3.682405e-01 1.653010e-01 8.403224e-03 5.603011e-04 0.000485 0.005315 True native_MD 7 29 357 CG_AB42_4 C_AB42_42 1 1.634078e-03 8.987435e-06 ; 4.201398e-01 7.427619e-02 5.513488e-04 2.628459e-04 0.000485 0.003309 True native_MD 7 29 358 - CD1_AB42_4 C_AB42_4 1 0.000000e+00 2.362774e-06 ; 3.026543e-01 -2.362774e-06 9.530064e-01 8.622659e-01 0.000485 0.000060 True native_MD 4 30 35 - CD1_AB42_4 O_AB42_4 1 0.000000e+00 8.307255e-07 ; 2.774064e-01 -8.307255e-07 2.073424e-01 2.119166e-01 0.000485 0.000060 True native_MD 5 30 36 - CD1_AB42_4 N_AB42_5 1 0.000000e+00 1.422669e-06 ; 2.901262e-01 -1.422669e-06 3.114274e-01 2.547488e-01 0.000485 0.000060 True native_MD 5 30 37 - CD1_AB42_4 CA_AB42_5 1 0.000000e+00 1.224657e-05 ; 3.471332e-01 -1.224657e-05 2.625490e-01 2.008493e-01 0.000485 0.000060 True native_MD 6 30 39 + CD1_AB42_4 C_AB42_4 1 0.000000e+00 2.362733e-06 ; 3.026539e-01 -2.362733e-06 9.530064e-01 8.622659e-01 0.000485 0.000060 True native_MD 4 30 35 + CD1_AB42_4 O_AB42_4 1 0.000000e+00 8.307216e-07 ; 2.774063e-01 -8.307216e-07 2.073424e-01 2.119166e-01 0.000485 0.000060 True native_MD 5 30 36 + CD1_AB42_4 N_AB42_5 1 0.000000e+00 1.422649e-06 ; 2.901259e-01 -1.422649e-06 3.114274e-01 2.547488e-01 0.000485 0.000060 True native_MD 5 30 37 + CD1_AB42_4 CA_AB42_5 1 0.000000e+00 1.224651e-05 ; 3.471331e-01 -1.224651e-05 2.625490e-01 2.008493e-01 0.000485 0.000060 True native_MD 6 30 39 CD1_AB42_4 CB_AB42_5 1 1.478712e-03 5.056540e-06 ; 3.881459e-01 1.081070e-01 3.505024e-02 5.386850e-02 0.000485 0.002332 True native_MD 7 30 40 CD1_AB42_4 CG_AB42_5 1 8.187122e-04 1.575279e-06 ; 3.526721e-01 1.063763e-01 2.710802e-02 4.387682e-02 0.000485 0.002332 True native_MD 7 30 41 CD1_AB42_4 CD_AB42_5 1 1.489503e-03 4.913423e-06 ; 3.858251e-01 1.128857e-01 1.467752e-02 1.955195e-02 0.000485 0.002332 True native_MD 7 30 42 @@ -8800,10 +8800,10 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CD1_AB42_4 C_AB42_42 1 9.511799e-04 2.552449e-06 ; 3.727770e-01 8.861520e-02 8.468095e-04 6.381367e-04 0.000485 0.003309 True native_MD 7 30 358 CD1_AB42_4 O1_AB42_42 1 2.990353e-04 3.192095e-07 ; 3.196874e-01 7.003404e-02 4.856155e-04 4.699660e-04 0.000485 0.003309 True native_MD 7 30 359 CD1_AB42_4 O2_AB42_42 1 2.990353e-04 3.192095e-07 ; 3.196874e-01 7.003404e-02 4.856155e-04 4.699660e-04 0.000485 0.003309 True native_MD 7 30 360 - CD2_AB42_4 C_AB42_4 1 0.000000e+00 2.362774e-06 ; 3.026543e-01 -2.362774e-06 9.530064e-01 8.622659e-01 0.000485 0.000060 True native_MD 4 31 35 - CD2_AB42_4 O_AB42_4 1 0.000000e+00 8.307255e-07 ; 2.774064e-01 -8.307255e-07 2.073424e-01 2.119166e-01 0.000485 0.000060 True native_MD 5 31 36 - CD2_AB42_4 N_AB42_5 1 0.000000e+00 1.422669e-06 ; 2.901262e-01 -1.422669e-06 3.114274e-01 2.547488e-01 0.000485 0.000060 True native_MD 5 31 37 - CD2_AB42_4 CA_AB42_5 1 0.000000e+00 1.224657e-05 ; 3.471332e-01 -1.224657e-05 2.625490e-01 2.008493e-01 0.000485 0.000060 True native_MD 6 31 39 + CD2_AB42_4 C_AB42_4 1 0.000000e+00 2.362733e-06 ; 3.026539e-01 -2.362733e-06 9.530064e-01 8.622659e-01 0.000485 0.000060 True native_MD 4 31 35 + CD2_AB42_4 O_AB42_4 1 0.000000e+00 8.307216e-07 ; 2.774063e-01 -8.307216e-07 2.073424e-01 2.119166e-01 0.000485 0.000060 True native_MD 5 31 36 + CD2_AB42_4 N_AB42_5 1 0.000000e+00 1.422649e-06 ; 2.901259e-01 -1.422649e-06 3.114274e-01 2.547488e-01 0.000485 0.000060 True native_MD 5 31 37 + CD2_AB42_4 CA_AB42_5 1 0.000000e+00 1.224651e-05 ; 3.471331e-01 -1.224651e-05 2.625490e-01 2.008493e-01 0.000485 0.000060 True native_MD 6 31 39 CD2_AB42_4 CB_AB42_5 1 1.478712e-03 5.056540e-06 ; 3.881459e-01 1.081070e-01 3.505024e-02 5.386850e-02 0.000485 0.002332 True native_MD 7 31 40 CD2_AB42_4 CG_AB42_5 1 8.187122e-04 1.575279e-06 ; 3.526721e-01 1.063763e-01 2.710802e-02 4.387682e-02 0.000485 0.002332 True native_MD 7 31 41 CD2_AB42_4 CD_AB42_5 1 1.489503e-03 4.913423e-06 ; 3.858251e-01 1.128857e-01 1.467752e-02 1.955195e-02 0.000485 0.002332 True native_MD 7 31 42 @@ -9088,9 +9088,9 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CD2_AB42_4 C_AB42_42 1 9.511799e-04 2.552449e-06 ; 3.727770e-01 8.861520e-02 8.468095e-04 6.381367e-04 0.000485 0.003309 True native_MD 7 31 358 CD2_AB42_4 O1_AB42_42 1 2.990353e-04 3.192095e-07 ; 3.196874e-01 7.003404e-02 4.856155e-04 4.699660e-04 0.000485 0.003309 True native_MD 7 31 359 CD2_AB42_4 O2_AB42_42 1 2.990353e-04 3.192095e-07 ; 3.196874e-01 7.003404e-02 4.856155e-04 4.699660e-04 0.000485 0.003309 True native_MD 7 31 360 - CE1_AB42_4 C_AB42_4 1 0.000000e+00 2.462177e-06 ; 3.036954e-01 -2.462177e-06 2.124996e-01 1.600119e-01 0.000485 0.000060 True native_MD 5 32 35 - CE1_AB42_4 O_AB42_4 1 0.000000e+00 8.504539e-07 ; 2.779495e-01 -8.504539e-07 3.275052e-02 6.118182e-02 0.000485 0.000060 True native_MD 6 32 36 - CE1_AB42_4 N_AB42_5 1 0.000000e+00 1.415012e-06 ; 2.899958e-01 -1.415012e-06 1.274528e-01 6.569715e-02 0.000485 0.000060 True native_MD 6 32 37 + CE1_AB42_4 C_AB42_4 1 0.000000e+00 2.462133e-06 ; 3.036950e-01 -2.462133e-06 2.124996e-01 1.600119e-01 0.000485 0.000060 True native_MD 5 32 35 + CE1_AB42_4 O_AB42_4 1 0.000000e+00 8.504500e-07 ; 2.779494e-01 -8.504500e-07 3.275052e-02 6.118182e-02 0.000485 0.000060 True native_MD 6 32 36 + CE1_AB42_4 N_AB42_5 1 0.000000e+00 1.414992e-06 ; 2.899954e-01 -1.414992e-06 1.274528e-01 6.569715e-02 0.000485 0.000060 True native_MD 6 32 37 CE1_AB42_4 CA_AB42_5 1 3.979120e-03 2.880181e-05 ; 4.398171e-01 1.374341e-01 1.585787e-01 8.396903e-02 0.000485 0.001933 True native_MD 7 32 39 CE1_AB42_4 CB_AB42_5 1 1.597530e-03 5.510715e-06 ; 3.887107e-01 1.157791e-01 2.115501e-02 2.584319e-02 0.000485 0.002332 True native_MD 7 32 40 CE1_AB42_4 CG_AB42_5 1 6.762392e-04 9.839658e-07 ; 3.366252e-01 1.161878e-01 2.433687e-02 2.936872e-02 0.000485 0.002332 True native_MD 7 32 41 @@ -9373,9 +9373,9 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CE1_AB42_4 CA_AB42_42 1 1.745454e-03 4.494494e-06 ; 3.702219e-01 1.694634e-01 9.517940e-03 9.950945e-04 0.000485 0.001933 True native_MD 7 32 356 CE1_AB42_4 CB_AB42_42 1 1.066972e-03 1.644429e-06 ; 3.398681e-01 1.730736e-01 1.060385e-02 9.812202e-04 0.000485 0.005315 True native_MD 7 32 357 CE1_AB42_4 C_AB42_42 1 8.511847e-04 2.022999e-06 ; 3.653103e-01 8.953482e-02 8.704378e-04 6.918736e-04 0.000485 0.003309 True native_MD 7 32 358 - CE2_AB42_4 C_AB42_4 1 0.000000e+00 2.462177e-06 ; 3.036954e-01 -2.462177e-06 2.124996e-01 1.600119e-01 0.000485 0.000060 True native_MD 5 33 35 - CE2_AB42_4 O_AB42_4 1 0.000000e+00 8.504539e-07 ; 2.779495e-01 -8.504539e-07 3.275052e-02 6.118182e-02 0.000485 0.000060 True native_MD 6 33 36 - CE2_AB42_4 N_AB42_5 1 0.000000e+00 1.415012e-06 ; 2.899958e-01 -1.415012e-06 1.274528e-01 6.569715e-02 0.000485 0.000060 True native_MD 6 33 37 + CE2_AB42_4 C_AB42_4 1 0.000000e+00 2.462133e-06 ; 3.036950e-01 -2.462133e-06 2.124996e-01 1.600119e-01 0.000485 0.000060 True native_MD 5 33 35 + CE2_AB42_4 O_AB42_4 1 0.000000e+00 8.504500e-07 ; 2.779494e-01 -8.504500e-07 3.275052e-02 6.118182e-02 0.000485 0.000060 True native_MD 6 33 36 + CE2_AB42_4 N_AB42_5 1 0.000000e+00 1.414992e-06 ; 2.899954e-01 -1.414992e-06 1.274528e-01 6.569715e-02 0.000485 0.000060 True native_MD 6 33 37 CE2_AB42_4 CA_AB42_5 1 3.979120e-03 2.880181e-05 ; 4.398171e-01 1.374341e-01 1.585787e-01 8.396903e-02 0.000485 0.001933 True native_MD 7 33 39 CE2_AB42_4 CB_AB42_5 1 1.597530e-03 5.510715e-06 ; 3.887107e-01 1.157791e-01 2.115501e-02 2.584319e-02 0.000485 0.002332 True native_MD 7 33 40 CE2_AB42_4 CG_AB42_5 1 6.762392e-04 9.839658e-07 ; 3.366252e-01 1.161878e-01 2.433687e-02 2.936872e-02 0.000485 0.002332 True native_MD 7 33 41 @@ -9658,7 +9658,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CE2_AB42_4 CA_AB42_42 1 1.745454e-03 4.494494e-06 ; 3.702219e-01 1.694634e-01 9.517940e-03 9.950945e-04 0.000485 0.001933 True native_MD 7 33 356 CE2_AB42_4 CB_AB42_42 1 1.066972e-03 1.644429e-06 ; 3.398681e-01 1.730736e-01 1.060385e-02 9.812202e-04 0.000485 0.005315 True native_MD 7 33 357 CE2_AB42_4 C_AB42_42 1 8.511847e-04 2.022999e-06 ; 3.653103e-01 8.953482e-02 8.704378e-04 6.918736e-04 0.000485 0.003309 True native_MD 7 33 358 - CZ_AB42_4 C_AB42_4 1 0.000000e+00 2.590873e-06 ; 3.049876e-01 -2.590873e-06 2.151756e-02 1.855558e-02 0.000485 0.000060 True native_MD 6 34 35 + CZ_AB42_4 C_AB42_4 1 0.000000e+00 2.590827e-06 ; 3.049871e-01 -2.590827e-06 2.151756e-02 1.855558e-02 0.000485 0.000060 True native_MD 6 34 35 CZ_AB42_4 O_AB42_4 1 9.692954e-04 3.154684e-06 ; 3.849609e-01 7.445544e-02 2.415582e-03 1.442184e-02 0.000485 0.003309 True native_MD 7 34 36 CZ_AB42_4 N_AB42_5 1 2.665810e-03 1.110478e-05 ; 4.011254e-01 1.599884e-01 3.669712e-02 1.694268e-02 0.000485 0.003309 True native_MD 7 34 37 CZ_AB42_4 CA_AB42_5 1 6.023299e-03 6.163177e-05 ; 4.659382e-01 1.471649e-01 9.398420e-02 3.719295e-02 0.000485 0.001933 True native_MD 7 34 39 @@ -9944,27 +9944,27 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CZ_AB42_4 CA_AB42_42 1 1.994383e-03 5.729954e-06 ; 3.770426e-01 1.735426e-01 1.075373e-02 1.013064e-03 0.000485 0.001933 True native_MD 7 34 356 CZ_AB42_4 CB_AB42_42 1 1.314005e-03 2.430813e-06 ; 3.503691e-01 1.775752e-01 1.213302e-02 9.298448e-04 0.000485 0.005315 True native_MD 7 34 357 CZ_AB42_4 C_AB42_42 1 1.549558e-03 6.636411e-06 ; 4.029838e-01 9.045289e-02 8.946838e-04 4.235119e-04 0.000485 0.003309 True native_MD 7 34 358 - C_AB42_4 CB_AB42_5 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 40 - C_AB42_4 CG_AB42_5 1 0.000000e+00 6.332186e-06 ; 3.285674e-01 -6.332186e-06 9.999274e-01 9.996472e-01 0.000485 0.000060 True native_MD 4 35 41 - C_AB42_4 CD_AB42_5 1 0.000000e+00 6.485723e-06 ; 3.292240e-01 -6.485723e-06 3.674757e-01 3.914358e-01 0.000485 0.000060 True native_MD 5 35 42 - C_AB42_4 NE_AB42_5 1 0.000000e+00 1.503937e-06 ; 2.914724e-01 -1.503937e-06 2.277728e-02 1.998457e-02 0.000485 0.000060 True native_MD 6 35 43 + C_AB42_4 CB_AB42_5 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 40 + C_AB42_4 CG_AB42_5 1 0.000000e+00 6.332080e-06 ; 3.285669e-01 -6.332080e-06 9.999274e-01 9.996472e-01 0.000485 0.000060 True native_MD 4 35 41 + C_AB42_4 CD_AB42_5 1 0.000000e+00 6.485615e-06 ; 3.292236e-01 -6.485615e-06 3.674757e-01 3.914358e-01 0.000485 0.000060 True native_MD 5 35 42 + C_AB42_4 NE_AB42_5 1 0.000000e+00 1.503916e-06 ; 2.914721e-01 -1.503916e-06 2.277728e-02 1.998457e-02 0.000485 0.000060 True native_MD 6 35 43 C_AB42_4 CZ_AB42_5 1 1.570827e-03 4.750151e-06 ; 3.802739e-01 1.298642e-01 8.077298e-03 6.012287e-03 0.000485 0.002166 True native_MD 7 35 44 C_AB42_4 NH1_AB42_5 1 6.697021e-04 9.748254e-07 ; 3.366466e-01 1.150208e-01 7.067857e-03 8.203174e-03 0.000485 0.002166 True native_MD 7 35 45 C_AB42_4 NH2_AB42_5 1 6.697021e-04 9.748254e-07 ; 3.366466e-01 1.150208e-01 7.067857e-03 8.203174e-03 0.000485 0.002166 True native_MD 7 35 46 - C_AB42_4 O_AB42_5 1 0.000000e+00 7.844169e-07 ; 2.760836e-01 -7.844169e-07 9.121037e-01 8.606782e-01 0.000485 0.000060 True native_MD 4 35 48 - C_AB42_4 N_AB42_6 1 0.000000e+00 1.518954e-06 ; 2.917139e-01 -1.518954e-06 9.711921e-01 9.783569e-01 0.000485 0.000060 True native_MD 4 35 49 - C_AB42_4 CA_AB42_6 1 0.000000e+00 1.358930e-05 ; 3.501559e-01 -1.358930e-05 8.466128e-01 8.877893e-01 0.000485 0.000060 True native_MD 5 35 51 - C_AB42_4 CB_AB42_6 1 0.000000e+00 6.671864e-06 ; 3.300013e-01 -6.671864e-06 2.079588e-01 2.613066e-01 0.000485 0.000060 True native_MD 6 35 52 + C_AB42_4 O_AB42_5 1 0.000000e+00 7.844133e-07 ; 2.760835e-01 -7.844133e-07 9.121037e-01 8.606782e-01 0.000485 0.000060 True native_MD 4 35 48 + C_AB42_4 N_AB42_6 1 0.000000e+00 1.518933e-06 ; 2.917135e-01 -1.518933e-06 9.711921e-01 9.783569e-01 0.000485 0.000060 True native_MD 4 35 49 + C_AB42_4 CA_AB42_6 1 0.000000e+00 1.358922e-05 ; 3.501557e-01 -1.358922e-05 8.466128e-01 8.877893e-01 0.000485 0.000060 True native_MD 5 35 51 + C_AB42_4 CB_AB42_6 1 0.000000e+00 6.671752e-06 ; 3.300008e-01 -6.671752e-06 2.079588e-01 2.613066e-01 0.000485 0.000060 True native_MD 6 35 52 C_AB42_4 CG_AB42_6 1 1.972751e-03 7.184137e-06 ; 3.922387e-01 1.354285e-01 1.576791e-01 9.936434e-02 0.000485 0.002166 True native_MD 7 35 53 C_AB42_4 ND1_AB42_6 1 8.007576e-04 1.454274e-06 ; 3.492938e-01 1.102290e-01 7.954078e-02 1.065524e-01 0.000485 0.002166 True native_MD 7 35 54 C_AB42_4 CD2_AB42_6 1 1.017299e-03 1.623546e-06 ; 3.418503e-01 1.593576e-01 2.376719e-01 1.118197e-01 0.000485 0.003309 True native_MD 7 35 55 C_AB42_4 CE1_AB42_6 1 1.591030e-03 4.365983e-06 ; 3.741686e-01 1.449488e-01 1.170255e-01 8.473989e-02 0.000485 0.003309 True native_MD 7 35 56 C_AB42_4 NE2_AB42_6 1 1.185867e-03 2.294685e-06 ; 3.530053e-01 1.532107e-01 1.686506e-01 6.242276e-02 0.000485 0.002166 True native_MD 7 35 57 - C_AB42_4 C_AB42_6 1 0.000000e+00 2.894894e-06 ; 3.078206e-01 -2.894894e-06 7.206448e-02 1.860981e-01 0.000485 0.000060 True native_MD 6 35 58 + C_AB42_4 C_AB42_6 1 0.000000e+00 2.894843e-06 ; 3.078202e-01 -2.894843e-06 7.206448e-02 1.860981e-01 0.000485 0.000060 True native_MD 6 35 58 C_AB42_4 O_AB42_6 1 6.503464e-04 1.044780e-06 ; 3.422263e-01 1.012056e-01 5.168930e-02 9.070921e-02 0.000485 0.002166 True native_MD 7 35 59 C_AB42_4 N_AB42_7 1 5.426247e-04 1.014832e-06 ; 3.510070e-01 7.253458e-02 4.581273e-02 1.896094e-01 0.000485 0.002166 True native_MD 7 35 60 - C_AB42_4 CA_AB42_7 1 0.000000e+00 1.496450e-05 ; 3.529801e-01 -1.496450e-05 5.095620e-02 1.974975e-01 0.000485 0.001339 True native_MD 7 35 62 - C_AB42_4 CB_AB42_7 1 0.000000e+00 6.946258e-06 ; 3.311115e-01 -6.946258e-06 4.049116e-02 1.371601e-01 0.000485 0.000060 True native_MD 7 35 63 + C_AB42_4 CA_AB42_7 1 0.000000e+00 1.496442e-05 ; 3.529799e-01 -1.496442e-05 5.095620e-02 1.974975e-01 0.000485 0.001339 True native_MD 7 35 62 + C_AB42_4 CB_AB42_7 1 0.000000e+00 6.946142e-06 ; 3.311110e-01 -6.946142e-06 4.049116e-02 1.371601e-01 0.000485 0.000060 True native_MD 7 35 63 C_AB42_4 CG_AB42_7 1 1.476315e-03 5.839759e-06 ; 3.976820e-01 9.330463e-02 1.321745e-02 2.938148e-02 0.000485 0.002166 True native_MD 7 35 64 C_AB42_4 OD1_AB42_7 1 3.426267e-04 3.414142e-07 ; 3.160410e-01 8.596088e-02 6.101608e-03 1.689773e-02 0.000485 0.002166 True native_MD 7 35 65 C_AB42_4 OD2_AB42_7 1 3.426267e-04 3.414142e-07 ; 3.160410e-01 8.596088e-02 6.101608e-03 1.689773e-02 0.000485 0.002166 True native_MD 7 35 66 @@ -9972,8 +9972,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_4 O_AB42_7 1 2.917477e-04 2.367131e-07 ; 3.054001e-01 8.989438e-02 1.438052e-02 3.540250e-02 0.000485 0.002166 True native_MD 7 35 68 C_AB42_4 N_AB42_8 1 8.306619e-04 1.849739e-06 ; 3.613663e-01 9.325629e-02 1.411329e-02 3.141874e-02 0.000485 0.002166 True native_MD 7 35 69 C_AB42_4 CA_AB42_8 1 1.905476e-03 1.264598e-05 ; 4.335024e-01 7.177849e-02 1.820459e-02 4.763622e-02 0.000485 0.001339 True native_MD 7 35 71 - C_AB42_4 CB_AB42_8 1 0.000000e+00 6.575987e-06 ; 3.296034e-01 -6.575987e-06 1.359480e-02 5.180558e-02 0.000485 0.000060 True native_MD 7 35 72 - C_AB42_4 OG_AB42_8 1 0.000000e+00 1.166752e-06 ; 2.853710e-01 -1.166752e-06 5.834918e-03 2.754403e-02 0.000485 0.002166 True native_MD 7 35 73 + C_AB42_4 CB_AB42_8 1 0.000000e+00 6.575876e-06 ; 3.296030e-01 -6.575876e-06 1.359480e-02 5.180558e-02 0.000485 0.000060 True native_MD 7 35 72 + C_AB42_4 OG_AB42_8 1 0.000000e+00 1.166733e-06 ; 2.853706e-01 -1.166733e-06 5.834918e-03 2.754403e-02 0.000485 0.002166 True native_MD 7 35 73 C_AB42_4 C_AB42_8 1 2.635765e-03 1.176354e-05 ; 4.057625e-01 1.476438e-01 4.954057e-03 1.925742e-03 0.000485 0.002166 True native_MD 7 35 74 C_AB42_4 O_AB42_8 1 6.838565e-04 8.074334e-07 ; 3.251050e-01 1.447982e-01 5.104020e-03 2.429991e-03 0.000485 0.002166 True native_MD 7 35 75 C_AB42_4 N_AB42_9 1 1.290551e-03 3.027950e-06 ; 3.645264e-01 1.375123e-01 3.959895e-03 2.344572e-03 0.000485 0.002166 True native_MD 7 35 76 @@ -9982,7 +9982,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_4 O_AB42_9 1 5.293773e-04 6.972907e-07 ; 3.310865e-01 1.004747e-01 1.207590e-03 5.649973e-04 0.000485 0.002166 True native_MD 7 35 80 C_AB42_4 N_AB42_10 1 1.334737e-03 4.548893e-06 ; 3.879285e-01 9.790970e-02 1.118364e-03 2.616945e-04 0.000485 0.002166 True native_MD 7 35 81 C_AB42_4 CA_AB42_10 1 4.099629e-03 3.055946e-05 ; 4.419775e-01 1.374939e-01 5.965906e-03 2.184497e-03 0.000485 0.001339 True native_MD 7 35 83 - C_AB42_4 CB_AB42_10 1 0.000000e+00 6.298999e-06 ; 3.284236e-01 -6.298999e-06 1.166491e-02 6.145070e-03 0.000485 0.000060 True native_MD 7 35 84 + C_AB42_4 CB_AB42_10 1 0.000000e+00 6.298893e-06 ; 3.284231e-01 -6.298893e-06 1.166491e-02 6.145070e-03 0.000485 0.000060 True native_MD 7 35 84 C_AB42_4 CG_AB42_10 1 1.738943e-03 4.662897e-06 ; 3.727306e-01 1.621267e-01 7.641712e-03 2.545349e-03 0.000485 0.003309 True native_MD 7 35 85 C_AB42_4 CD1_AB42_10 1 1.212104e-03 2.308058e-06 ; 3.520609e-01 1.591377e-01 1.126003e-02 5.332593e-03 0.000485 0.003309 True native_MD 7 35 86 C_AB42_4 CD2_AB42_10 1 1.212104e-03 2.308058e-06 ; 3.520609e-01 1.591377e-01 1.126003e-02 5.332593e-03 0.000485 0.003309 True native_MD 7 35 87 @@ -10003,13 +10003,13 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_4 O_AB42_11 1 5.189731e-04 6.706881e-07 ; 3.300370e-01 1.003943e-01 1.204689e-03 1.256759e-04 0.000485 0.002166 True native_MD 7 35 103 C_AB42_4 N_AB42_12 1 8.902609e-04 1.669992e-06 ; 3.511825e-01 1.186480e-01 2.080231e-03 3.392797e-05 0.000485 0.002166 True native_MD 7 35 104 C_AB42_4 CA_AB42_12 1 3.622659e-03 2.289056e-05 ; 4.299700e-01 1.433305e-01 4.354135e-03 4.014898e-04 0.000485 0.001339 True native_MD 7 35 106 - C_AB42_4 CB_AB42_12 1 0.000000e+00 1.295512e-05 ; 3.487641e-01 -1.295512e-05 9.130316e-03 1.717633e-03 0.000485 0.000060 True native_MD 7 35 107 - C_AB42_4 CG1_AB42_12 1 0.000000e+00 4.702259e-06 ; 3.205191e-01 -4.702259e-06 7.051337e-03 2.003458e-03 0.000485 0.000060 True native_MD 7 35 108 - C_AB42_4 CG2_AB42_12 1 0.000000e+00 4.696402e-06 ; 3.204858e-01 -4.696402e-06 8.026869e-03 1.739789e-03 0.000485 0.000060 True native_MD 7 35 109 + C_AB42_4 CB_AB42_12 1 0.000000e+00 1.295505e-05 ; 3.487639e-01 -1.295505e-05 9.130316e-03 1.717633e-03 0.000485 0.000060 True native_MD 7 35 107 + C_AB42_4 CG1_AB42_12 1 0.000000e+00 4.702197e-06 ; 3.205187e-01 -4.702197e-06 7.051337e-03 2.003458e-03 0.000485 0.000060 True native_MD 7 35 108 + C_AB42_4 CG2_AB42_12 1 0.000000e+00 4.696341e-06 ; 3.204854e-01 -4.696341e-06 8.026869e-03 1.739789e-03 0.000485 0.000060 True native_MD 7 35 109 C_AB42_4 C_AB42_12 1 1.792427e-03 1.092688e-05 ; 4.274078e-01 7.350672e-02 5.387979e-04 6.351747e-05 0.000485 0.002166 True native_MD 7 35 110 C_AB42_4 O_AB42_12 1 8.309004e-04 2.020151e-06 ; 3.666957e-01 8.543860e-02 7.700173e-04 1.461019e-04 0.000485 0.002166 True native_MD 7 35 111 C_AB42_4 CA_AB42_13 1 2.982476e-03 1.549237e-05 ; 4.161566e-01 1.435411e-01 4.381662e-03 4.680920e-04 0.000485 0.001339 True native_MD 7 35 114 - C_AB42_4 CB_AB42_13 1 0.000000e+00 6.314539e-06 ; 3.284910e-01 -6.314539e-06 4.234222e-03 1.167958e-03 0.000485 0.000060 True native_MD 7 35 115 + C_AB42_4 CB_AB42_13 1 0.000000e+00 6.314433e-06 ; 3.284905e-01 -6.314433e-06 4.234222e-03 1.167958e-03 0.000485 0.000060 True native_MD 7 35 115 C_AB42_4 CG_AB42_13 1 1.905037e-03 6.871250e-06 ; 3.916115e-01 1.320417e-01 3.105885e-03 5.250943e-04 0.000485 0.002166 True native_MD 7 35 116 C_AB42_4 ND1_AB42_13 1 1.043217e-03 1.905538e-06 ; 3.496287e-01 1.427815e-01 4.283191e-03 1.199939e-03 0.000485 0.002166 True native_MD 7 35 117 C_AB42_4 CD2_AB42_13 1 1.521841e-03 4.163251e-06 ; 3.739761e-01 1.390741e-01 3.833387e-03 1.711101e-03 0.000485 0.003309 True native_MD 7 35 118 @@ -10222,18 +10222,18 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_4 O2_AB42_42 1 3.607867e-04 3.980147e-07 ; 3.214461e-01 8.176019e-02 6.897528e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 35 360 O_AB42_4 O_AB42_4 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 36 O_AB42_4 H_AB42_5 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 38 - O_AB42_4 CB_AB42_5 1 0.000000e+00 2.015611e-06 ; 2.986727e-01 -2.015611e-06 9.999982e-01 9.999759e-01 0.000485 0.000060 True native_MD 4 36 40 - O_AB42_4 CG_AB42_5 1 0.000000e+00 2.077118e-06 ; 2.994218e-01 -2.077118e-06 5.961210e-01 6.266132e-01 0.000485 0.000060 True native_MD 5 36 41 - O_AB42_4 CD_AB42_5 1 0.000000e+00 1.984995e-06 ; 2.982920e-01 -1.984995e-06 1.419214e-01 1.267100e-01 0.000485 0.000060 True native_MD 6 36 42 + O_AB42_4 CB_AB42_5 1 0.000000e+00 2.015604e-06 ; 2.986726e-01 -2.015604e-06 9.999982e-01 9.999759e-01 0.000485 0.000060 True native_MD 4 36 40 + O_AB42_4 CG_AB42_5 1 0.000000e+00 2.077110e-06 ; 2.994217e-01 -2.077110e-06 5.961210e-01 6.266132e-01 0.000485 0.000060 True native_MD 5 36 41 + O_AB42_4 CD_AB42_5 1 0.000000e+00 1.984988e-06 ; 2.982919e-01 -1.984988e-06 1.419214e-01 1.267100e-01 0.000485 0.000060 True native_MD 6 36 42 O_AB42_4 NE_AB42_5 1 1.863897e-04 6.996248e-08 ; 2.685801e-01 1.241420e-01 1.577811e-02 1.393850e-02 0.000485 0.002166 True native_MD 7 36 43 O_AB42_4 CZ_AB42_5 1 5.025104e-04 5.016050e-07 ; 3.161327e-01 1.258543e-01 8.131754e-03 6.824706e-03 0.000485 0.002166 True native_MD 7 36 44 O_AB42_4 NH1_AB42_5 1 1.184420e-04 2.789711e-08 ; 2.485091e-01 1.257165e-01 7.488593e-03 6.310993e-03 0.000485 0.002166 True native_MD 7 36 45 O_AB42_4 NH2_AB42_5 1 1.184420e-04 2.789711e-08 ; 2.485091e-01 1.257165e-01 7.488593e-03 6.310993e-03 0.000485 0.002166 True native_MD 7 36 46 - O_AB42_4 C_AB42_5 1 0.000000e+00 8.221894e-07 ; 2.771677e-01 -8.221894e-07 9.998293e-01 9.940811e-01 0.000485 0.000060 True native_MD 4 36 47 + O_AB42_4 C_AB42_5 1 0.000000e+00 8.221856e-07 ; 2.771676e-01 -8.221856e-07 9.998293e-01 9.940811e-01 0.000485 0.000060 True native_MD 4 36 47 O_AB42_4 O_AB42_5 1 0.000000e+00 1.524645e-06 ; 2.918048e-01 -1.524645e-06 8.234515e-01 8.398813e-01 0.000485 0.000060 True native_MD 5 36 48 O_AB42_4 N_AB42_6 1 0.000000e+00 1.501280e-06 ; 2.914295e-01 -1.501280e-06 8.993898e-01 9.002432e-01 0.000485 0.000060 True native_MD 5 36 49 - O_AB42_4 H_AB42_6 1 0.000000e+00 1.564477e-08 ; 1.992320e-01 -1.564477e-08 1.787793e-01 1.870655e-01 0.000485 0.000060 True native_MD 6 36 50 - O_AB42_4 CA_AB42_6 1 0.000000e+00 4.326504e-06 ; 3.183023e-01 -4.326504e-06 5.636784e-01 6.053323e-01 0.000485 0.000060 True native_MD 6 36 51 + O_AB42_4 H_AB42_6 1 0.000000e+00 1.564502e-08 ; 1.992323e-01 -1.564502e-08 1.787793e-01 1.870655e-01 0.000485 0.000060 True native_MD 6 36 50 + O_AB42_4 CA_AB42_6 1 0.000000e+00 4.326538e-06 ; 3.183025e-01 -4.326538e-06 5.636784e-01 6.053323e-01 0.000485 0.000060 True native_MD 6 36 51 O_AB42_4 CB_AB42_6 1 1.148317e-03 3.171030e-06 ; 3.745614e-01 1.039594e-01 1.600613e-01 1.421765e-01 0.000485 0.001191 True native_MD 7 36 52 O_AB42_4 CG_AB42_6 1 7.622745e-04 1.135350e-06 ; 3.379375e-01 1.279479e-01 1.563782e-01 1.232726e-01 0.000485 0.002166 True native_MD 7 36 53 O_AB42_4 ND1_AB42_6 1 3.806868e-04 3.498597e-07 ; 3.118083e-01 1.035575e-01 7.203506e-02 1.178247e-01 0.000485 0.002166 True native_MD 7 36 54 @@ -10244,8 +10244,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 O_AB42_4 O_AB42_6 1 0.000000e+00 1.557989e-06 ; 2.923313e-01 -1.557989e-06 7.715492e-02 1.158142e-01 0.000485 0.000060 True native_MD 7 36 59 O_AB42_4 N_AB42_7 1 1.258892e-04 5.635079e-08 ; 2.765786e-01 7.030995e-02 4.708045e-02 2.082757e-01 0.000485 0.002166 True native_MD 7 36 60 O_AB42_4 H_AB42_7 1 1.071946e-05 2.689235e-10 ; 1.710971e-01 1.068211e-01 2.882469e-02 1.049414e-01 0.000485 0.005316 True native_MD 7 36 61 - O_AB42_4 CA_AB42_7 1 0.000000e+00 4.705528e-06 ; 3.205376e-01 -4.705528e-06 4.251809e-02 1.754262e-01 0.000485 0.001339 True native_MD 7 36 62 - O_AB42_4 CB_AB42_7 1 0.000000e+00 2.207076e-06 ; 3.009399e-01 -2.207076e-06 3.369709e-02 1.286637e-01 0.000485 0.001191 True native_MD 7 36 63 + O_AB42_4 CA_AB42_7 1 0.000000e+00 4.705565e-06 ; 3.205378e-01 -4.705565e-06 4.251809e-02 1.754262e-01 0.000485 0.001339 True native_MD 7 36 62 + O_AB42_4 CB_AB42_7 1 0.000000e+00 2.207068e-06 ; 3.009398e-01 -2.207068e-06 3.369709e-02 1.286637e-01 0.000485 0.001191 True native_MD 7 36 63 O_AB42_4 CG_AB42_7 1 4.131149e-04 5.995987e-07 ; 3.364844e-01 7.115756e-02 9.253316e-03 3.990920e-02 0.000485 0.002166 True native_MD 7 36 64 O_AB42_4 OD1_AB42_7 1 0.000000e+00 1.554792e-06 ; 2.922813e-01 -1.554792e-06 1.335307e-02 4.988115e-02 0.000485 0.000060 True native_MD 7 36 65 O_AB42_4 OD2_AB42_7 1 0.000000e+00 1.554792e-06 ; 2.922813e-01 -1.554792e-06 1.335307e-02 4.988115e-02 0.000485 0.000060 True native_MD 7 36 66 @@ -10253,9 +10253,9 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 O_AB42_4 O_AB42_7 1 0.000000e+00 1.585555e-06 ; 2.927589e-01 -1.585555e-06 2.937087e-02 8.640734e-02 0.000485 0.000060 True native_MD 7 36 68 O_AB42_4 N_AB42_8 1 0.000000e+00 1.599350e-06 ; 2.929703e-01 -1.599350e-06 1.797821e-02 8.421155e-02 0.000485 0.002166 True native_MD 7 36 69 O_AB42_4 H_AB42_8 1 6.262102e-06 8.583488e-11 ; 1.547001e-01 1.142132e-01 1.283141e-02 3.744409e-02 0.000485 0.005316 True native_MD 7 36 70 - O_AB42_4 CA_AB42_8 1 0.000000e+00 4.387265e-06 ; 3.186724e-01 -4.387265e-06 1.782279e-02 7.410553e-02 0.000485 0.001339 True native_MD 7 36 71 - O_AB42_4 CB_AB42_8 1 0.000000e+00 2.132806e-06 ; 3.000827e-01 -2.132806e-06 1.283535e-02 7.095549e-02 0.000485 0.001191 True native_MD 7 36 72 - O_AB42_4 OG_AB42_8 1 0.000000e+00 3.773387e-07 ; 2.597502e-01 -3.773387e-07 6.133904e-03 4.447270e-02 0.000485 0.002166 True native_MD 7 36 73 + O_AB42_4 CA_AB42_8 1 0.000000e+00 4.387299e-06 ; 3.186726e-01 -4.387299e-06 1.782279e-02 7.410553e-02 0.000485 0.001339 True native_MD 7 36 71 + O_AB42_4 CB_AB42_8 1 0.000000e+00 2.132799e-06 ; 3.000826e-01 -2.132799e-06 1.283535e-02 7.095549e-02 0.000485 0.001191 True native_MD 7 36 72 + O_AB42_4 OG_AB42_8 1 0.000000e+00 3.773376e-07 ; 2.597502e-01 -3.773376e-07 6.133904e-03 4.447270e-02 0.000485 0.002166 True native_MD 7 36 73 O_AB42_4 C_AB42_8 1 6.387210e-04 8.587987e-07 ; 3.322233e-01 1.187602e-01 7.838184e-03 8.134206e-03 0.000485 0.002166 True native_MD 7 36 74 O_AB42_4 O_AB42_8 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 75 O_AB42_4 N_AB42_9 1 1.312725e-04 3.986249e-08 ; 2.592578e-01 1.080745e-01 7.499068e-03 1.071500e-02 0.000485 0.002166 True native_MD 7 36 76 @@ -10542,43 +10542,43 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 O_AB42_4 C_AB42_42 1 8.757967e-04 2.105425e-06 ; 3.660070e-01 9.107658e-02 9.115395e-04 1.238964e-05 0.000485 0.002166 True native_MD 7 36 358 O_AB42_4 O1_AB42_42 1 1.521809e-04 7.859019e-08 ; 2.832488e-01 7.367021e-02 1.340951e-03 1.478924e-04 0.000485 0.000060 True native_MD 7 36 359 O_AB42_4 O2_AB42_42 1 1.521809e-04 7.859019e-08 ; 2.832488e-01 7.367021e-02 1.340951e-03 1.478924e-04 0.000485 0.000060 True native_MD 7 36 360 - N_AB42_5 CB_AB42_5 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 40 - N_AB42_5 CG_AB42_5 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 41 - N_AB42_5 CD_AB42_5 1 0.000000e+00 3.777912e-06 ; 3.147260e-01 -3.777912e-06 9.356627e-01 9.633636e-01 0.000485 0.000060 True native_MD 4 37 42 - N_AB42_5 NE_AB42_5 1 0.000000e+00 8.624571e-07 ; 2.782743e-01 -8.624571e-07 8.492252e-02 7.025665e-02 0.000485 0.000060 True native_MD 5 37 43 - N_AB42_5 CZ_AB42_5 1 0.000000e+00 1.509650e-06 ; 2.915645e-01 -1.509650e-06 5.116170e-03 6.111595e-03 0.000485 0.000060 True native_MD 6 37 44 - N_AB42_5 NH1_AB42_5 1 0.000000e+00 8.750669e-07 ; 2.786111e-01 -8.750669e-07 7.112155e-04 4.517282e-04 0.000485 0.000060 True native_MD 7 37 45 - N_AB42_5 NH2_AB42_5 1 0.000000e+00 8.750669e-07 ; 2.786111e-01 -8.750669e-07 7.112155e-04 4.517282e-04 0.000485 0.000060 True native_MD 7 37 46 - N_AB42_5 CA_AB42_6 1 0.000000e+00 7.574735e-06 ; 3.335101e-01 -7.574735e-06 9.999993e-01 9.999650e-01 0.000485 0.000060 True native_MD 4 37 51 - N_AB42_5 CB_AB42_6 1 0.000000e+00 4.160562e-06 ; 3.172666e-01 -4.160562e-06 2.673432e-01 3.991357e-01 0.000485 0.000060 True native_MD 5 37 52 - N_AB42_5 CG_AB42_6 1 0.000000e+00 1.449571e-06 ; 2.905795e-01 -1.449571e-06 9.018293e-02 5.134224e-02 0.000485 0.000060 True native_MD 6 37 53 + N_AB42_5 CB_AB42_5 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 40 + N_AB42_5 CG_AB42_5 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 41 + N_AB42_5 CD_AB42_5 1 0.000000e+00 3.777863e-06 ; 3.147257e-01 -3.777863e-06 9.356627e-01 9.633636e-01 0.000485 0.000060 True native_MD 4 37 42 + N_AB42_5 NE_AB42_5 1 0.000000e+00 8.624480e-07 ; 2.782741e-01 -8.624480e-07 8.492252e-02 7.025665e-02 0.000485 0.000060 True native_MD 5 37 43 + N_AB42_5 CZ_AB42_5 1 0.000000e+00 1.509629e-06 ; 2.915642e-01 -1.509629e-06 5.116170e-03 6.111595e-03 0.000485 0.000060 True native_MD 6 37 44 + N_AB42_5 NH1_AB42_5 1 0.000000e+00 8.750577e-07 ; 2.786109e-01 -8.750577e-07 7.112155e-04 4.517282e-04 0.000485 0.000060 True native_MD 7 37 45 + N_AB42_5 NH2_AB42_5 1 0.000000e+00 8.750577e-07 ; 2.786109e-01 -8.750577e-07 7.112155e-04 4.517282e-04 0.000485 0.000060 True native_MD 7 37 46 + N_AB42_5 CA_AB42_6 1 0.000000e+00 7.574723e-06 ; 3.335100e-01 -7.574723e-06 9.999993e-01 9.999650e-01 0.000485 0.000060 True native_MD 4 37 51 + N_AB42_5 CB_AB42_6 1 0.000000e+00 4.160507e-06 ; 3.172662e-01 -4.160507e-06 2.673432e-01 3.991357e-01 0.000485 0.000060 True native_MD 5 37 52 + N_AB42_5 CG_AB42_6 1 0.000000e+00 1.449551e-06 ; 2.905792e-01 -1.449551e-06 9.018293e-02 5.134224e-02 0.000485 0.000060 True native_MD 6 37 53 N_AB42_5 ND1_AB42_6 1 4.362808e-04 4.749313e-07 ; 3.207333e-01 1.001940e-01 4.162039e-02 7.528503e-02 0.000485 0.002166 True native_MD 7 37 54 N_AB42_5 CD2_AB42_6 1 1.315688e-03 2.787298e-06 ; 3.583756e-01 1.552610e-01 1.453259e-01 7.729183e-02 0.000485 0.003309 True native_MD 7 37 55 N_AB42_5 CE1_AB42_6 1 1.699123e-03 4.655614e-06 ; 3.740750e-01 1.550289e-01 3.004203e-02 1.608926e-02 0.000485 0.003309 True native_MD 7 37 56 N_AB42_5 NE2_AB42_6 1 1.822635e-03 4.870098e-06 ; 3.725115e-01 1.705304e-01 3.936139e-02 8.676289e-03 0.000485 0.002166 True native_MD 7 37 57 - N_AB42_5 C_AB42_6 1 0.000000e+00 1.567236e-06 ; 2.924755e-01 -1.567236e-06 5.750687e-02 9.668539e-02 0.000485 0.000060 True native_MD 5 37 58 + N_AB42_5 C_AB42_6 1 0.000000e+00 1.567214e-06 ; 2.924752e-01 -1.567214e-06 5.750687e-02 9.668539e-02 0.000485 0.000060 True native_MD 5 37 58 N_AB42_5 O_AB42_6 1 0.000000e+00 1.567483e-06 ; 2.924794e-01 -1.567483e-06 8.158829e-02 1.265772e-01 0.000485 0.000060 True native_MD 6 37 59 - N_AB42_5 N_AB42_7 1 0.000000e+00 9.348247e-07 ; 2.801491e-01 -9.348247e-07 3.776834e-02 1.057806e-01 0.000485 0.000060 True native_MD 6 37 60 + N_AB42_5 N_AB42_7 1 0.000000e+00 9.348149e-07 ; 2.801488e-01 -9.348149e-07 3.776834e-02 1.057806e-01 0.000485 0.000060 True native_MD 6 37 60 N_AB42_5 CA_AB42_7 1 3.019161e-03 2.653303e-05 ; 4.542728e-01 8.588667e-02 2.999331e-02 5.145493e-02 0.000485 0.001339 True native_MD 7 37 62 - N_AB42_5 CB_AB42_7 1 0.000000e+00 3.693129e-06 ; 3.141313e-01 -3.693129e-06 1.403141e-02 1.866882e-02 0.000485 0.000060 True native_MD 7 37 63 + N_AB42_5 CB_AB42_7 1 0.000000e+00 3.693081e-06 ; 3.141310e-01 -3.693081e-06 1.403141e-02 1.866882e-02 0.000485 0.000060 True native_MD 7 37 63 N_AB42_5 CG_AB42_7 1 9.541191e-04 1.619945e-06 ; 3.453952e-01 1.404898e-01 6.116512e-03 3.312730e-03 0.000485 0.002166 True native_MD 7 37 64 N_AB42_5 OD1_AB42_7 1 1.664705e-04 5.411240e-08 ; 2.622164e-01 1.280318e-01 1.379602e-02 1.084832e-02 0.000485 0.002166 True native_MD 7 37 65 N_AB42_5 OD2_AB42_7 1 1.664705e-04 5.411240e-08 ; 2.622164e-01 1.280318e-01 1.379602e-02 1.084832e-02 0.000485 0.002166 True native_MD 7 37 66 N_AB42_5 C_AB42_7 1 1.567429e-03 5.801199e-06 ; 3.932979e-01 1.058761e-01 1.419448e-03 6.712487e-04 0.000485 0.002166 True native_MD 7 37 67 N_AB42_5 O_AB42_7 1 3.751746e-04 3.488985e-07 ; 3.124239e-01 1.008574e-01 9.640700e-03 1.709589e-02 0.000485 0.002166 True native_MD 7 37 68 - N_AB42_5 N_AB42_8 1 0.000000e+00 8.745269e-07 ; 2.785968e-01 -8.745269e-07 1.637015e-03 7.605978e-04 0.000485 0.000060 True native_MD 7 37 69 + N_AB42_5 N_AB42_8 1 0.000000e+00 8.745177e-07 ; 2.785965e-01 -8.745177e-07 1.637015e-03 7.605978e-04 0.000485 0.000060 True native_MD 7 37 69 N_AB42_5 CA_AB42_8 1 2.902276e-03 1.818666e-05 ; 4.293740e-01 1.157882e-01 8.763988e-03 6.144464e-03 0.000485 0.001339 True native_MD 7 37 71 - N_AB42_5 CB_AB42_8 1 0.000000e+00 3.688276e-06 ; 3.140969e-01 -3.688276e-06 1.500150e-02 1.831879e-02 0.000485 0.000060 True native_MD 7 37 72 + N_AB42_5 CB_AB42_8 1 0.000000e+00 3.688228e-06 ; 3.140965e-01 -3.688228e-06 1.500150e-02 1.831879e-02 0.000485 0.000060 True native_MD 7 37 72 N_AB42_5 OG_AB42_8 1 1.584858e-04 6.403360e-08 ; 2.718961e-01 9.806478e-02 4.754587e-03 9.166194e-03 0.000485 0.002166 True native_MD 7 37 73 N_AB42_5 C_AB42_8 1 8.693614e-04 1.549379e-06 ; 3.481980e-01 1.219503e-01 2.296314e-03 6.338165e-04 0.000485 0.002166 True native_MD 7 37 74 N_AB42_5 O_AB42_8 1 1.683962e-04 5.107021e-08 ; 2.592025e-01 1.388152e-01 6.765034e-03 3.852376e-03 0.000485 0.002166 True native_MD 7 37 75 - N_AB42_5 N_AB42_9 1 0.000000e+00 8.748200e-07 ; 2.786046e-01 -8.748200e-07 1.130996e-03 5.894784e-04 0.000485 0.000060 True native_MD 7 37 76 + N_AB42_5 N_AB42_9 1 0.000000e+00 8.748108e-07 ; 2.786043e-01 -8.748108e-07 1.130996e-03 5.894784e-04 0.000485 0.000060 True native_MD 7 37 76 N_AB42_5 CA_AB42_9 1 9.149346e-04 1.929872e-06 ; 3.581154e-01 1.084406e-01 3.770247e-03 3.896249e-03 0.000485 0.001584 True native_MD 7 37 78 N_AB42_5 C_AB42_9 1 8.372963e-04 2.050016e-06 ; 3.671242e-01 8.549505e-02 7.713192e-04 2.833579e-04 0.000485 0.002166 True native_MD 7 37 79 N_AB42_5 O_AB42_9 1 1.295338e-04 4.359777e-08 ; 2.637425e-01 9.621481e-02 1.063054e-03 7.151064e-04 0.000485 0.002166 True native_MD 7 37 80 N_AB42_5 N_AB42_10 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 7.199568e-05 2.198501e-05 0.000485 0.000060 True native_MD 7 37 81 N_AB42_5 CA_AB42_10 1 3.115962e-03 1.826675e-05 ; 4.246308e-01 1.328810e-01 3.184886e-03 6.680181e-04 0.000485 0.001339 True native_MD 7 37 83 - N_AB42_5 CB_AB42_10 1 0.000000e+00 3.659029e-06 ; 3.138886e-01 -3.659029e-06 7.129259e-03 2.490498e-03 0.000485 0.000060 True native_MD 7 37 84 + N_AB42_5 CB_AB42_10 1 0.000000e+00 3.658981e-06 ; 3.138882e-01 -3.658981e-06 7.129259e-03 2.490498e-03 0.000485 0.000060 True native_MD 7 37 84 N_AB42_5 CG_AB42_10 1 1.516148e-03 4.160142e-06 ; 3.741632e-01 1.381387e-01 3.727568e-03 9.454394e-04 0.000485 0.003309 True native_MD 7 37 85 N_AB42_5 CD1_AB42_10 1 1.028231e-03 1.682504e-06 ; 3.432766e-01 1.570960e-01 6.573669e-03 2.693276e-03 0.000485 0.003309 True native_MD 7 37 86 N_AB42_5 CD2_AB42_10 1 1.028231e-03 1.682504e-06 ; 3.432766e-01 1.570960e-01 6.573669e-03 2.693276e-03 0.000485 0.003309 True native_MD 7 37 87 @@ -10599,9 +10599,9 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_5 O_AB42_11 1 1.316399e-04 3.938349e-08 ; 2.586154e-01 1.100021e-01 1.605996e-03 1.079540e-05 0.000485 0.002166 True native_MD 7 37 103 N_AB42_5 N_AB42_12 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 3.267285e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 37 104 N_AB42_5 CA_AB42_12 1 3.488691e-03 2.454346e-05 ; 4.377360e-01 1.239736e-01 2.439646e-03 1.000103e-04 0.000485 0.001339 True native_MD 7 37 106 - N_AB42_5 CB_AB42_12 1 0.000000e+00 7.538051e-06 ; 3.333752e-01 -7.538051e-06 5.707597e-03 8.304685e-04 0.000485 0.000060 True native_MD 7 37 107 - N_AB42_5 CG1_AB42_12 1 0.000000e+00 2.732192e-06 ; 3.063404e-01 -2.732192e-06 4.946250e-03 1.032960e-03 0.000485 0.000060 True native_MD 7 37 108 - N_AB42_5 CG2_AB42_12 1 0.000000e+00 2.731265e-06 ; 3.063317e-01 -2.731265e-06 5.399252e-03 1.147734e-03 0.000485 0.000060 True native_MD 7 37 109 + N_AB42_5 CB_AB42_12 1 0.000000e+00 7.538039e-06 ; 3.333751e-01 -7.538039e-06 5.707597e-03 8.304685e-04 0.000485 0.000060 True native_MD 7 37 107 + N_AB42_5 CG1_AB42_12 1 0.000000e+00 2.732166e-06 ; 3.063402e-01 -2.732166e-06 4.946250e-03 1.032960e-03 0.000485 0.000060 True native_MD 7 37 108 + N_AB42_5 CG2_AB42_12 1 0.000000e+00 2.731239e-06 ; 3.063315e-01 -2.731239e-06 5.399252e-03 1.147734e-03 0.000485 0.000060 True native_MD 7 37 109 N_AB42_5 O_AB42_12 1 5.175279e-04 6.054036e-07 ; 3.246025e-01 1.106019e-01 1.635081e-03 1.087528e-04 0.000485 0.002166 True native_MD 7 37 111 N_AB42_5 N_AB42_13 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 6.948763e-05 0.000000e+00 0.000485 0.000060 True native_MD 7 37 112 N_AB42_5 CA_AB42_13 1 3.363012e-03 1.932591e-05 ; 4.232223e-01 1.463043e-01 4.759390e-03 1.459527e-04 0.000485 0.001339 True native_MD 7 37 114 @@ -10638,7 +10638,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_5 CG_AB42_16 1 1.950724e-03 8.489954e-06 ; 4.040653e-01 1.120537e-01 1.707687e-03 2.487263e-05 0.000485 0.000060 True native_MD 7 37 148 N_AB42_5 CD_AB42_16 1 6.576091e-04 1.319283e-06 ; 3.551363e-01 8.194785e-02 2.293767e-03 1.974697e-04 0.000485 0.000060 True native_MD 7 37 149 N_AB42_5 CE_AB42_16 1 1.062538e-03 3.091135e-06 ; 3.778293e-01 9.130846e-02 3.609829e-03 2.348449e-04 0.000485 0.000060 True native_MD 7 37 150 - N_AB42_5 NZ_AB42_16 1 0.000000e+00 8.745691e-07 ; 2.785979e-01 -8.745691e-07 1.080935e-03 2.527529e-04 0.000485 0.000060 True native_MD 7 37 151 + N_AB42_5 NZ_AB42_16 1 0.000000e+00 8.745599e-07 ; 2.785977e-01 -8.745599e-07 1.080935e-03 2.527529e-04 0.000485 0.000060 True native_MD 7 37 151 N_AB42_5 C_AB42_16 1 8.459528e-04 1.885685e-06 ; 3.614269e-01 9.487749e-02 1.021350e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 37 152 N_AB42_5 O_AB42_16 1 8.959450e-05 2.244785e-08 ; 2.510820e-01 8.939805e-02 8.668823e-04 4.999619e-05 0.000485 0.002166 True native_MD 7 37 153 N_AB42_5 N_AB42_17 1 6.935220e-04 1.154807e-06 ; 3.442771e-01 1.041241e-01 1.346945e-03 0.000000e+00 0.000485 0.000060 True native_MD 7 37 154 @@ -10822,7 +10822,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_5 O1_AB42_42 1 7.468619e-05 1.605144e-08 ; 2.447441e-01 8.687735e-02 8.038953e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 37 359 N_AB42_5 O2_AB42_42 1 7.468619e-05 1.605144e-08 ; 2.447441e-01 8.687735e-02 8.038953e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 37 360 H_AB42_5 H_AB42_5 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 38 - H_AB42_5 O_AB42_5 1 0.000000e+00 1.220162e-08 ; 1.951476e-01 -1.220162e-08 4.822547e-01 2.686343e-01 0.000485 0.000060 True native_MD 4 38 48 + H_AB42_5 O_AB42_5 1 0.000000e+00 1.220182e-08 ; 1.951478e-01 -1.220182e-08 4.822547e-01 2.686343e-01 0.000485 0.000060 True native_MD 4 38 48 H_AB42_5 H_AB42_6 1 0.000000e+00 1.511401e-08 ; 1.986598e-01 -1.511401e-08 2.797081e-01 5.392092e-01 0.000485 0.000060 True native_MD 5 38 50 H_AB42_5 O_AB42_6 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 59 H_AB42_5 H_AB42_7 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 61 @@ -10911,20 +10911,20 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 H_AB42_5 H_AB42_42 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 355 H_AB42_5 O1_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 359 H_AB42_5 O2_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 360 - CA_AB42_5 NE_AB42_5 1 0.000000e+00 7.573524e-06 ; 3.335056e-01 -7.573524e-06 9.999572e-01 9.997631e-01 0.000485 0.000060 True native_MD 4 39 43 - CA_AB42_5 CZ_AB42_5 1 0.000000e+00 1.466330e-05 ; 3.523825e-01 -1.466330e-05 3.971573e-01 5.206212e-01 0.000485 0.000060 True native_MD 5 39 44 - CA_AB42_5 NH1_AB42_5 1 0.000000e+00 7.478192e-06 ; 3.331538e-01 -7.478192e-06 3.057987e-02 1.780056e-02 0.000485 0.000060 True native_MD 6 39 45 - CA_AB42_5 NH2_AB42_5 1 0.000000e+00 7.478192e-06 ; 3.331538e-01 -7.478192e-06 3.057987e-02 1.780056e-02 0.000485 0.000060 True native_MD 6 39 46 - CA_AB42_5 CB_AB42_6 1 0.000000e+00 3.181365e-05 ; 3.758773e-01 -3.181365e-05 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 39 52 - CA_AB42_5 CG_AB42_6 1 0.000000e+00 1.494806e-05 ; 3.529477e-01 -1.494806e-05 5.871158e-01 7.323972e-01 0.000485 0.000060 True native_MD 5 39 53 - CA_AB42_5 ND1_AB42_6 1 0.000000e+00 1.102688e-05 ; 3.441117e-01 -1.102688e-05 3.315942e-01 4.412409e-01 0.000485 0.000060 True native_MD 6 39 54 - CA_AB42_5 CD2_AB42_6 1 0.000000e+00 1.312150e-05 ; 3.491352e-01 -1.312150e-05 4.567738e-01 4.621090e-01 0.000485 0.000060 True native_MD 6 39 55 + CA_AB42_5 NE_AB42_5 1 0.000000e+00 7.573513e-06 ; 3.335056e-01 -7.573513e-06 9.999572e-01 9.997631e-01 0.000485 0.000060 True native_MD 4 39 43 + CA_AB42_5 CZ_AB42_5 1 0.000000e+00 1.466322e-05 ; 3.523823e-01 -1.466322e-05 3.971573e-01 5.206212e-01 0.000485 0.000060 True native_MD 5 39 44 + CA_AB42_5 NH1_AB42_5 1 0.000000e+00 7.478180e-06 ; 3.331537e-01 -7.478180e-06 3.057987e-02 1.780056e-02 0.000485 0.000060 True native_MD 6 39 45 + CA_AB42_5 NH2_AB42_5 1 0.000000e+00 7.478180e-06 ; 3.331537e-01 -7.478180e-06 3.057987e-02 1.780056e-02 0.000485 0.000060 True native_MD 6 39 46 + CA_AB42_5 CB_AB42_6 1 0.000000e+00 3.181352e-05 ; 3.758772e-01 -3.181352e-05 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 39 52 + CA_AB42_5 CG_AB42_6 1 0.000000e+00 1.494798e-05 ; 3.529476e-01 -1.494798e-05 5.871158e-01 7.323972e-01 0.000485 0.000060 True native_MD 5 39 53 + CA_AB42_5 ND1_AB42_6 1 0.000000e+00 1.102682e-05 ; 3.441115e-01 -1.102682e-05 3.315942e-01 4.412409e-01 0.000485 0.000060 True native_MD 6 39 54 + CA_AB42_5 CD2_AB42_6 1 0.000000e+00 1.312143e-05 ; 3.491350e-01 -1.312143e-05 4.567738e-01 4.621090e-01 0.000485 0.000060 True native_MD 6 39 55 CA_AB42_5 CE1_AB42_6 1 4.326603e-03 4.207428e-05 ; 4.620031e-01 1.112289e-01 1.896110e-01 2.199471e-01 0.000485 0.001933 True native_MD 7 39 56 CA_AB42_5 NE2_AB42_6 1 3.692615e-03 2.881568e-05 ; 4.453647e-01 1.182985e-01 2.228103e-01 1.449086e-01 0.000485 0.001339 True native_MD 7 39 57 - CA_AB42_5 C_AB42_6 1 0.000000e+00 1.305190e-05 ; 3.489805e-01 -1.305190e-05 9.999926e-01 9.999954e-01 0.000485 0.000060 True native_MD 4 39 58 - CA_AB42_5 O_AB42_6 1 0.000000e+00 3.386735e-06 ; 3.118723e-01 -3.386735e-06 5.346654e-01 3.500595e-01 0.000485 0.000060 True native_MD 5 39 59 - CA_AB42_5 N_AB42_7 1 0.000000e+00 8.573535e-06 ; 3.369703e-01 -8.573535e-06 5.601496e-01 6.919702e-01 0.000485 0.000060 True native_MD 5 39 60 - CA_AB42_5 CA_AB42_7 1 0.000000e+00 7.204657e-05 ; 4.023736e-01 -7.204657e-05 5.737945e-01 6.728069e-01 0.000485 0.000060 True native_MD 6 39 62 + CA_AB42_5 C_AB42_6 1 0.000000e+00 1.305183e-05 ; 3.489803e-01 -1.305183e-05 9.999926e-01 9.999954e-01 0.000485 0.000060 True native_MD 4 39 58 + CA_AB42_5 O_AB42_6 1 0.000000e+00 3.386762e-06 ; 3.118725e-01 -3.386762e-06 5.346654e-01 3.500595e-01 0.000485 0.000060 True native_MD 5 39 59 + CA_AB42_5 N_AB42_7 1 0.000000e+00 8.573522e-06 ; 3.369703e-01 -8.573522e-06 5.601496e-01 6.919702e-01 0.000485 0.000060 True native_MD 5 39 60 + CA_AB42_5 CA_AB42_7 1 0.000000e+00 7.204710e-05 ; 4.023738e-01 -7.204710e-05 5.737945e-01 6.728069e-01 0.000485 0.000060 True native_MD 6 39 62 CA_AB42_5 CB_AB42_7 1 5.786600e-03 8.836383e-05 ; 4.980908e-01 9.473544e-02 2.704339e-01 2.714734e-01 0.000485 0.001021 True native_MD 7 39 63 CA_AB42_5 CG_AB42_7 1 4.299010e-03 3.371196e-05 ; 4.457273e-01 1.370544e-01 1.779898e-01 6.603627e-02 0.000485 0.001339 True native_MD 7 39 64 CA_AB42_5 OD1_AB42_7 1 9.586038e-04 1.683429e-06 ; 3.473436e-01 1.364657e-01 9.967108e-02 3.763743e-02 0.000485 0.001339 True native_MD 7 39 65 @@ -10932,7 +10932,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CA_AB42_5 C_AB42_7 1 4.232524e-03 4.943623e-05 ; 4.763297e-01 9.059277e-02 6.357423e-02 9.473590e-02 0.000485 0.001339 True native_MD 7 39 67 CA_AB42_5 O_AB42_7 1 1.337848e-03 5.098376e-06 ; 3.952187e-01 8.776511e-02 6.024057e-02 9.769733e-02 0.000485 0.001339 True native_MD 7 39 68 CA_AB42_5 N_AB42_8 1 2.033946e-03 1.183609e-05 ; 4.241097e-01 8.737967e-02 7.595008e-02 1.246025e-01 0.000485 0.001339 True native_MD 7 39 69 - CA_AB42_5 CA_AB42_8 1 0.000000e+00 7.100550e-05 ; 4.018858e-01 -7.100550e-05 9.742632e-02 1.805580e-01 0.000485 0.000883 True native_MD 7 39 71 + CA_AB42_5 CA_AB42_8 1 0.000000e+00 7.100602e-05 ; 4.018861e-01 -7.100602e-05 9.742632e-02 1.805580e-01 0.000485 0.000883 True native_MD 7 39 71 CA_AB42_5 CB_AB42_8 1 1.542070e-03 8.260564e-06 ; 4.182965e-01 7.196782e-02 7.876531e-02 1.562803e-01 0.000485 0.001021 True native_MD 7 39 72 CA_AB42_5 OG_AB42_8 1 7.545386e-04 1.764449e-06 ; 3.643241e-01 8.066663e-02 3.977134e-02 7.976624e-02 0.000485 0.001339 True native_MD 7 39 73 CA_AB42_5 C_AB42_8 1 2.189072e-03 1.188784e-05 ; 4.192507e-01 1.007761e-01 2.525733e-02 2.775059e-02 0.000485 0.001339 True native_MD 7 39 74 @@ -11188,41 +11188,41 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CA_AB42_5 C_AB42_42 1 2.856812e-03 1.402552e-05 ; 4.122616e-01 1.454737e-01 4.642548e-03 1.451574e-04 0.000485 0.001339 True native_MD 7 39 358 CA_AB42_5 O1_AB42_42 1 5.994997e-04 8.131968e-07 ; 3.327115e-01 1.104898e-01 1.629608e-03 1.998461e-04 0.000485 0.001339 True native_MD 7 39 359 CA_AB42_5 O2_AB42_42 1 5.994997e-04 8.131968e-07 ; 3.327115e-01 1.104898e-01 1.629608e-03 1.998461e-04 0.000485 0.001339 True native_MD 7 39 360 - CB_AB42_5 NE_AB42_5 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 43 - CB_AB42_5 CZ_AB42_5 1 0.000000e+00 6.332574e-06 ; 3.285691e-01 -6.332574e-06 9.998156e-01 9.995966e-01 0.000485 0.000060 True native_MD 4 40 44 - CB_AB42_5 NH1_AB42_5 1 0.000000e+00 3.904441e-06 ; 3.155912e-01 -3.904441e-06 3.026728e-01 3.647931e-01 0.000485 0.000060 True native_MD 5 40 45 - CB_AB42_5 NH2_AB42_5 1 0.000000e+00 3.904441e-06 ; 3.155912e-01 -3.904441e-06 3.026728e-01 3.647931e-01 0.000485 0.000060 True native_MD 5 40 46 - CB_AB42_5 C_AB42_5 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 47 + CB_AB42_5 NE_AB42_5 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 43 + CB_AB42_5 CZ_AB42_5 1 0.000000e+00 6.332468e-06 ; 3.285686e-01 -6.332468e-06 9.998156e-01 9.995966e-01 0.000485 0.000060 True native_MD 4 40 44 + CB_AB42_5 NH1_AB42_5 1 0.000000e+00 3.904390e-06 ; 3.155909e-01 -3.904390e-06 3.026728e-01 3.647931e-01 0.000485 0.000060 True native_MD 5 40 45 + CB_AB42_5 NH2_AB42_5 1 0.000000e+00 3.904390e-06 ; 3.155909e-01 -3.904390e-06 3.026728e-01 3.647931e-01 0.000485 0.000060 True native_MD 5 40 46 + CB_AB42_5 C_AB42_5 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 47 CB_AB42_5 O_AB42_5 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 48 - CB_AB42_5 N_AB42_6 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 49 - CB_AB42_5 CA_AB42_6 1 0.000000e+00 3.181410e-05 ; 3.758778e-01 -3.181410e-05 9.999860e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 40 51 - CB_AB42_5 CB_AB42_6 1 0.000000e+00 1.672640e-05 ; 3.562694e-01 -1.672640e-05 5.683282e-01 6.517212e-01 0.000485 0.000060 True native_MD 5 40 52 - CB_AB42_5 CG_AB42_6 1 0.000000e+00 7.277481e-06 ; 3.323993e-01 -7.277481e-06 7.586938e-02 2.248314e-01 0.000485 0.000060 True native_MD 6 40 53 - CB_AB42_5 ND1_AB42_6 1 0.000000e+00 5.350817e-06 ; 3.239888e-01 -5.350817e-06 5.792390e-02 1.674803e-01 0.000485 0.000060 True native_MD 7 40 54 + CB_AB42_5 N_AB42_6 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 49 + CB_AB42_5 CA_AB42_6 1 0.000000e+00 3.181396e-05 ; 3.758776e-01 -3.181396e-05 9.999860e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 40 51 + CB_AB42_5 CB_AB42_6 1 0.000000e+00 1.672613e-05 ; 3.562689e-01 -1.672613e-05 5.683282e-01 6.517212e-01 0.000485 0.000060 True native_MD 5 40 52 + CB_AB42_5 CG_AB42_6 1 0.000000e+00 7.277359e-06 ; 3.323988e-01 -7.277359e-06 7.586938e-02 2.248314e-01 0.000485 0.000060 True native_MD 6 40 53 + CB_AB42_5 ND1_AB42_6 1 0.000000e+00 5.350724e-06 ; 3.239883e-01 -5.350724e-06 5.792390e-02 1.674803e-01 0.000485 0.000060 True native_MD 7 40 54 CB_AB42_5 CD2_AB42_6 1 6.429094e-04 1.097740e-06 ; 3.457204e-01 9.413257e-02 7.740393e-02 1.807292e-01 0.000485 0.002332 True native_MD 7 40 55 CB_AB42_5 CE1_AB42_6 1 1.226574e-03 4.183145e-06 ; 3.879730e-01 8.991342e-02 4.508070e-02 1.194238e-01 0.000485 0.002332 True native_MD 7 40 56 - CB_AB42_5 NE2_AB42_6 1 0.000000e+00 5.034002e-06 ; 3.223451e-01 -5.034002e-06 5.043292e-02 9.429392e-02 0.000485 0.000060 True native_MD 7 40 57 - CB_AB42_5 C_AB42_6 1 0.000000e+00 4.381944e-06 ; 3.186402e-01 -4.381944e-06 6.540056e-01 3.458229e-01 0.000485 0.000060 True native_MD 5 40 58 - CB_AB42_5 O_AB42_6 1 0.000000e+00 1.738031e-06 ; 2.950075e-01 -1.738031e-06 2.096860e-01 7.195139e-02 0.000485 0.000060 True native_MD 6 40 59 - CB_AB42_5 N_AB42_7 1 0.000000e+00 3.349672e-06 ; 3.115864e-01 -3.349672e-06 3.185083e-01 2.297155e-01 0.000485 0.000060 True native_MD 6 40 60 + CB_AB42_5 NE2_AB42_6 1 0.000000e+00 5.033914e-06 ; 3.223447e-01 -5.033914e-06 5.043292e-02 9.429392e-02 0.000485 0.000060 True native_MD 7 40 57 + CB_AB42_5 C_AB42_6 1 0.000000e+00 4.381870e-06 ; 3.186398e-01 -4.381870e-06 6.540056e-01 3.458229e-01 0.000485 0.000060 True native_MD 5 40 58 + CB_AB42_5 O_AB42_6 1 0.000000e+00 1.738024e-06 ; 2.950075e-01 -1.738024e-06 2.096860e-01 7.195139e-02 0.000485 0.000060 True native_MD 6 40 59 + CB_AB42_5 N_AB42_7 1 0.000000e+00 3.349628e-06 ; 3.115861e-01 -3.349628e-06 3.185083e-01 2.297155e-01 0.000485 0.000060 True native_MD 6 40 60 CB_AB42_5 CA_AB42_7 1 4.531507e-03 4.754300e-05 ; 4.678866e-01 1.079789e-01 3.558187e-01 2.403114e-01 0.000485 0.001021 True native_MD 7 40 62 CB_AB42_5 CB_AB42_7 1 2.778821e-03 1.667026e-05 ; 4.262656e-01 1.158027e-01 2.276607e-01 1.418361e-01 0.000485 0.001190 True native_MD 7 40 63 - CB_AB42_5 CG_AB42_7 1 0.000000e+00 5.405719e-06 ; 3.242645e-01 -5.405719e-06 2.050657e-01 5.851570e-02 0.000485 0.000060 True native_MD 7 40 64 - CB_AB42_5 OD1_AB42_7 1 0.000000e+00 1.472157e-06 ; 2.909541e-01 -1.472157e-06 1.332778e-01 3.552685e-02 0.000485 0.000060 True native_MD 7 40 65 - CB_AB42_5 OD2_AB42_7 1 0.000000e+00 1.472157e-06 ; 2.909541e-01 -1.472157e-06 1.332778e-01 3.552685e-02 0.000485 0.000060 True native_MD 7 40 66 - CB_AB42_5 C_AB42_7 1 0.000000e+00 6.310456e-06 ; 3.284733e-01 -6.310456e-06 6.361270e-02 5.990177e-02 0.000485 0.000060 True native_MD 7 40 67 + CB_AB42_5 CG_AB42_7 1 0.000000e+00 5.405628e-06 ; 3.242641e-01 -5.405628e-06 2.050657e-01 5.851570e-02 0.000485 0.000060 True native_MD 7 40 64 + CB_AB42_5 OD1_AB42_7 1 0.000000e+00 1.472151e-06 ; 2.909540e-01 -1.472151e-06 1.332778e-01 3.552685e-02 0.000485 0.000060 True native_MD 7 40 65 + CB_AB42_5 OD2_AB42_7 1 0.000000e+00 1.472151e-06 ; 2.909540e-01 -1.472151e-06 1.332778e-01 3.552685e-02 0.000485 0.000060 True native_MD 7 40 66 + CB_AB42_5 C_AB42_7 1 0.000000e+00 6.310350e-06 ; 3.284728e-01 -6.310350e-06 6.361270e-02 5.990177e-02 0.000485 0.000060 True native_MD 7 40 67 CB_AB42_5 O_AB42_7 1 4.621957e-04 5.277366e-07 ; 3.232947e-01 1.011986e-01 6.479713e-02 6.251402e-02 0.000485 0.001191 True native_MD 7 40 68 - CB_AB42_5 N_AB42_8 1 0.000000e+00 3.656181e-06 ; 3.138682e-01 -3.656181e-06 5.483925e-02 4.942558e-02 0.000485 0.000060 True native_MD 7 40 69 + CB_AB42_5 N_AB42_8 1 0.000000e+00 3.656132e-06 ; 3.138678e-01 -3.656132e-06 5.483925e-02 4.942558e-02 0.000485 0.000060 True native_MD 7 40 69 CB_AB42_5 CA_AB42_8 1 2.479183e-03 1.653154e-05 ; 4.338445e-01 9.294883e-02 8.592981e-02 9.099761e-02 0.000485 0.001021 True native_MD 7 40 71 CB_AB42_5 CB_AB42_8 1 1.043278e-03 2.901132e-06 ; 3.749971e-01 9.379350e-02 7.406808e-02 8.916117e-02 0.000485 0.001190 True native_MD 7 40 72 - CB_AB42_5 OG_AB42_8 1 0.000000e+00 2.795870e-06 ; 3.069291e-01 -2.795870e-06 4.585219e-02 5.029404e-02 0.000485 0.000060 True native_MD 7 40 73 - CB_AB42_5 C_AB42_8 1 0.000000e+00 6.271523e-06 ; 3.283039e-01 -6.271523e-06 2.311624e-02 1.325852e-02 0.000485 0.000060 True native_MD 7 40 74 + CB_AB42_5 OG_AB42_8 1 0.000000e+00 2.795828e-06 ; 3.069287e-01 -2.795828e-06 4.585219e-02 5.029404e-02 0.000485 0.000060 True native_MD 7 40 73 + CB_AB42_5 C_AB42_8 1 0.000000e+00 6.271417e-06 ; 3.283035e-01 -6.271417e-06 2.311624e-02 1.325852e-02 0.000485 0.000060 True native_MD 7 40 74 CB_AB42_5 O_AB42_8 1 3.723196e-04 2.799026e-07 ; 3.015425e-01 1.238126e-01 2.087696e-02 1.023724e-02 0.000485 0.001191 True native_MD 7 40 75 - CB_AB42_5 N_AB42_9 1 0.000000e+00 3.667757e-06 ; 3.139509e-01 -3.667757e-06 1.266767e-02 1.040320e-02 0.000485 0.000060 True native_MD 7 40 76 + CB_AB42_5 N_AB42_9 1 0.000000e+00 3.667709e-06 ; 3.139505e-01 -3.667709e-06 1.266767e-02 1.040320e-02 0.000485 0.000060 True native_MD 7 40 76 CB_AB42_5 CA_AB42_9 1 1.348277e-03 3.953251e-06 ; 3.783228e-01 1.149593e-01 3.193454e-02 2.040426e-02 0.000485 0.001190 True native_MD 7 40 78 - CB_AB42_5 C_AB42_9 1 0.000000e+00 6.250710e-06 ; 3.282130e-01 -6.250710e-06 1.673977e-02 3.596107e-03 0.000485 0.000060 True native_MD 7 40 79 + CB_AB42_5 C_AB42_9 1 0.000000e+00 6.250605e-06 ; 3.282125e-01 -6.250605e-06 1.673977e-02 3.596107e-03 0.000485 0.000060 True native_MD 7 40 79 CB_AB42_5 O_AB42_9 1 7.232484e-04 8.505374e-07 ; 3.248885e-01 1.537523e-01 1.027159e-02 2.056067e-03 0.000485 0.001191 True native_MD 7 40 80 - CB_AB42_5 N_AB42_10 1 0.000000e+00 3.652094e-06 ; 3.138389e-01 -3.652094e-06 8.605635e-03 2.080399e-03 0.000485 0.000060 True native_MD 7 40 81 + CB_AB42_5 N_AB42_10 1 0.000000e+00 3.652046e-06 ; 3.138386e-01 -3.652046e-06 8.605635e-03 2.080399e-03 0.000485 0.000060 True native_MD 7 40 81 CB_AB42_5 CA_AB42_10 1 4.173360e-03 3.166320e-05 ; 4.432800e-01 1.375172e-01 3.991821e-02 1.113826e-02 0.000485 0.001021 True native_MD 7 40 83 CB_AB42_5 CB_AB42_10 1 1.352270e-03 3.255196e-06 ; 3.660881e-01 1.404396e-01 4.997127e-02 1.489432e-02 0.000485 0.001190 True native_MD 7 40 84 CB_AB42_5 CG_AB42_10 1 1.429008e-03 2.867756e-06 ; 3.551550e-01 1.780193e-01 4.757618e-02 9.024160e-03 0.000485 0.002332 True native_MD 7 40 85 @@ -11231,17 +11231,17 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_5 CE1_AB42_10 1 1.252577e-03 2.323900e-06 ; 3.505384e-01 1.687839e-01 5.866999e-02 1.467111e-02 0.000485 0.002332 True native_MD 7 40 88 CB_AB42_5 CE2_AB42_10 1 1.252577e-03 2.323900e-06 ; 3.505384e-01 1.687839e-01 5.866999e-02 1.467111e-02 0.000485 0.002332 True native_MD 7 40 89 CB_AB42_5 CZ_AB42_10 1 1.476555e-03 3.147932e-06 ; 3.587533e-01 1.731466e-01 6.782692e-02 1.488498e-02 0.000485 0.002332 True native_MD 7 40 90 - CB_AB42_5 OH_AB42_10 1 0.000000e+00 2.652661e-06 ; 3.055872e-01 -2.652661e-06 6.031175e-02 1.330450e-02 0.000485 0.000060 True native_MD 7 40 91 - CB_AB42_5 C_AB42_10 1 0.000000e+00 6.279157e-06 ; 3.283372e-01 -6.279157e-06 1.222490e-02 3.572515e-03 0.000485 0.000060 True native_MD 7 40 92 + CB_AB42_5 OH_AB42_10 1 0.000000e+00 2.652621e-06 ; 3.055868e-01 -2.652621e-06 6.031175e-02 1.330450e-02 0.000485 0.000060 True native_MD 7 40 91 + CB_AB42_5 C_AB42_10 1 0.000000e+00 6.279052e-06 ; 3.283368e-01 -6.279052e-06 1.222490e-02 3.572515e-03 0.000485 0.000060 True native_MD 7 40 92 CB_AB42_5 O_AB42_10 1 5.422478e-04 5.776213e-07 ; 3.195761e-01 1.272601e-01 1.041366e-02 4.605878e-03 0.000485 0.001191 True native_MD 7 40 93 - CB_AB42_5 N_AB42_11 1 0.000000e+00 3.656299e-06 ; 3.138690e-01 -3.656299e-06 6.251231e-03 8.698609e-04 0.000485 0.000060 True native_MD 7 40 94 + CB_AB42_5 N_AB42_11 1 0.000000e+00 3.656251e-06 ; 3.138687e-01 -3.656251e-06 6.251231e-03 8.698609e-04 0.000485 0.000060 True native_MD 7 40 94 CB_AB42_5 CA_AB42_11 1 2.239098e-03 9.699214e-06 ; 4.037482e-01 1.292260e-01 1.878108e-02 6.716222e-03 0.000485 0.001021 True native_MD 7 40 96 CB_AB42_5 CB_AB42_11 1 1.976445e-03 6.708273e-06 ; 3.876630e-01 1.455789e-01 2.023161e-02 5.170554e-03 0.000485 0.001190 True native_MD 7 40 97 CB_AB42_5 CG_AB42_11 1 1.438674e-03 3.665298e-06 ; 3.695653e-01 1.411742e-01 2.515931e-02 7.335881e-03 0.000485 0.001190 True native_MD 7 40 98 - CB_AB42_5 CD_AB42_11 1 0.000000e+00 6.230040e-06 ; 3.281224e-01 -6.230040e-06 2.333250e-02 6.925556e-03 0.000485 0.000060 True native_MD 7 40 99 - CB_AB42_5 OE1_AB42_11 1 0.000000e+00 1.615968e-06 ; 2.932228e-01 -1.615968e-06 1.388503e-02 4.272833e-03 0.000485 0.000060 True native_MD 7 40 100 - CB_AB42_5 OE2_AB42_11 1 0.000000e+00 1.615968e-06 ; 2.932228e-01 -1.615968e-06 1.388503e-02 4.272833e-03 0.000485 0.000060 True native_MD 7 40 101 - CB_AB42_5 C_AB42_11 1 0.000000e+00 6.308342e-06 ; 3.284641e-01 -6.308342e-06 4.891207e-03 8.465627e-04 0.000485 0.000060 True native_MD 7 40 102 + CB_AB42_5 CD_AB42_11 1 0.000000e+00 6.229936e-06 ; 3.281220e-01 -6.229936e-06 2.333250e-02 6.925556e-03 0.000485 0.000060 True native_MD 7 40 99 + CB_AB42_5 OE1_AB42_11 1 0.000000e+00 1.615963e-06 ; 2.932227e-01 -1.615963e-06 1.388503e-02 4.272833e-03 0.000485 0.000060 True native_MD 7 40 100 + CB_AB42_5 OE2_AB42_11 1 0.000000e+00 1.615963e-06 ; 2.932227e-01 -1.615963e-06 1.388503e-02 4.272833e-03 0.000485 0.000060 True native_MD 7 40 101 + CB_AB42_5 C_AB42_11 1 0.000000e+00 6.308237e-06 ; 3.284637e-01 -6.308237e-06 4.891207e-03 8.465627e-04 0.000485 0.000060 True native_MD 7 40 102 CB_AB42_5 O_AB42_11 1 6.103110e-04 6.925799e-07 ; 3.229633e-01 1.344536e-01 3.338354e-03 8.319074e-04 0.000485 0.001191 True native_MD 7 40 103 CB_AB42_5 N_AB42_12 1 1.111098e-03 3.409550e-06 ; 3.812040e-01 9.052070e-02 2.221312e-03 1.479593e-04 0.000485 0.000060 True native_MD 7 40 104 CB_AB42_5 CA_AB42_12 1 6.134258e-03 5.475707e-05 ; 4.554559e-01 1.718003e-01 1.554554e-02 1.554841e-03 0.000485 0.001021 True native_MD 7 40 106 @@ -11253,21 +11253,21 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_5 N_AB42_13 1 1.715822e-03 7.958066e-06 ; 4.083719e-01 9.248619e-02 2.391236e-03 1.501794e-04 0.000485 0.000060 True native_MD 7 40 112 CB_AB42_5 CA_AB42_13 1 2.856525e-03 1.334402e-05 ; 4.088601e-01 1.528725e-01 9.448326e-03 1.665073e-03 0.000485 0.001021 True native_MD 7 40 114 CB_AB42_5 CB_AB42_13 1 2.385041e-03 9.901485e-06 ; 4.008982e-01 1.436254e-01 7.701214e-03 2.086678e-03 0.000485 0.001190 True native_MD 7 40 115 - CB_AB42_5 CG_AB42_13 1 0.000000e+00 6.307232e-06 ; 3.284593e-01 -6.307232e-06 5.928206e-03 1.708184e-03 0.000485 0.000060 True native_MD 7 40 116 - CB_AB42_5 ND1_AB42_13 1 0.000000e+00 4.799200e-06 ; 3.210646e-01 -4.799200e-06 7.301827e-03 2.473858e-03 0.000485 0.000060 True native_MD 7 40 117 + CB_AB42_5 CG_AB42_13 1 0.000000e+00 6.307126e-06 ; 3.284588e-01 -6.307126e-06 5.928206e-03 1.708184e-03 0.000485 0.000060 True native_MD 7 40 116 + CB_AB42_5 ND1_AB42_13 1 0.000000e+00 4.799117e-06 ; 3.210641e-01 -4.799117e-06 7.301827e-03 2.473858e-03 0.000485 0.000060 True native_MD 7 40 117 CB_AB42_5 CD2_AB42_13 1 9.624663e-04 1.630075e-06 ; 3.452527e-01 1.420703e-01 6.195802e-03 3.446131e-03 0.000485 0.002332 True native_MD 7 40 118 CB_AB42_5 CE1_AB42_13 1 8.943399e-04 1.429499e-06 ; 3.419376e-01 1.398818e-01 9.449531e-03 5.611611e-03 0.000485 0.002332 True native_MD 7 40 119 - CB_AB42_5 NE2_AB42_13 1 0.000000e+00 4.810980e-06 ; 3.211302e-01 -4.810980e-06 7.342061e-03 4.956899e-03 0.000485 0.000060 True native_MD 7 40 120 + CB_AB42_5 NE2_AB42_13 1 0.000000e+00 4.810897e-06 ; 3.211297e-01 -4.810897e-06 7.342061e-03 4.956899e-03 0.000485 0.000060 True native_MD 7 40 120 CB_AB42_5 C_AB42_13 1 1.772122e-03 7.547820e-06 ; 4.026132e-01 1.040174e-01 3.409194e-03 1.516257e-04 0.000485 0.000060 True native_MD 7 40 121 CB_AB42_5 O_AB42_13 1 5.783773e-04 6.658715e-07 ; 3.237401e-01 1.255949e-01 2.560937e-03 3.908318e-04 0.000485 0.001191 True native_MD 7 40 122 CB_AB42_5 N_AB42_14 1 1.406495e-03 5.232583e-06 ; 3.936374e-01 9.451492e-02 1.010328e-03 3.248498e-05 0.000485 0.000060 True native_MD 7 40 123 CB_AB42_5 CA_AB42_14 1 5.987932e-03 5.415165e-05 ; 4.564457e-01 1.655320e-01 8.461514e-03 5.195718e-04 0.000485 0.001021 True native_MD 7 40 125 CB_AB42_5 CB_AB42_14 1 2.091595e-03 6.603121e-06 ; 3.830116e-01 1.656327e-01 8.487032e-03 1.015015e-03 0.000485 0.001190 True native_MD 7 40 126 - CB_AB42_5 CG_AB42_14 1 0.000000e+00 6.293303e-06 ; 3.283988e-01 -6.293303e-06 7.330049e-03 9.109989e-04 0.000485 0.000060 True native_MD 7 40 127 - CB_AB42_5 ND1_AB42_14 1 0.000000e+00 4.787107e-06 ; 3.209971e-01 -4.787107e-06 8.869467e-03 1.533932e-03 0.000485 0.000060 True native_MD 7 40 128 + CB_AB42_5 CG_AB42_14 1 0.000000e+00 6.293197e-06 ; 3.283983e-01 -6.293197e-06 7.330049e-03 9.109989e-04 0.000485 0.000060 True native_MD 7 40 127 + CB_AB42_5 ND1_AB42_14 1 0.000000e+00 4.787024e-06 ; 3.209966e-01 -4.787024e-06 8.869467e-03 1.533932e-03 0.000485 0.000060 True native_MD 7 40 128 CB_AB42_5 CD2_AB42_14 1 7.635569e-04 9.208578e-07 ; 3.262560e-01 1.582815e-01 6.811073e-03 2.199290e-03 0.000485 0.002332 True native_MD 7 40 129 CB_AB42_5 CE1_AB42_14 1 1.104084e-03 1.959771e-06 ; 3.479637e-01 1.555030e-01 1.069232e-02 3.978565e-03 0.000485 0.002332 True native_MD 7 40 130 - CB_AB42_5 NE2_AB42_14 1 0.000000e+00 4.798867e-06 ; 3.210627e-01 -4.798867e-06 8.404926e-03 3.507804e-03 0.000485 0.000060 True native_MD 7 40 131 + CB_AB42_5 NE2_AB42_14 1 0.000000e+00 4.798783e-06 ; 3.210623e-01 -4.798783e-06 8.404926e-03 3.507804e-03 0.000485 0.000060 True native_MD 7 40 131 CB_AB42_5 C_AB42_14 1 1.672604e-03 5.471332e-06 ; 3.852861e-01 1.278301e-01 2.738099e-03 5.903981e-05 0.000485 0.000060 True native_MD 7 40 132 CB_AB42_5 O_AB42_14 1 4.649144e-04 4.307579e-07 ; 3.122315e-01 1.254448e-01 2.549460e-03 1.544847e-04 0.000485 0.001191 True native_MD 7 40 133 CB_AB42_5 N_AB42_15 1 2.487916e-03 1.139214e-05 ; 4.075006e-01 1.358332e-01 3.479064e-03 1.738912e-06 0.000485 0.000060 True native_MD 7 40 134 @@ -11276,7 +11276,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_5 CG_AB42_15 1 3.776598e-03 1.987838e-05 ; 4.170742e-01 1.793745e-01 1.280423e-02 9.282430e-04 0.000485 0.001190 True native_MD 7 40 138 CB_AB42_5 CD_AB42_15 1 8.046134e-04 2.153021e-06 ; 3.726006e-01 7.517374e-02 1.473089e-02 1.553177e-03 0.000485 0.000060 True native_MD 7 40 139 CB_AB42_5 OE1_AB42_15 1 8.877138e-04 1.128714e-06 ; 3.291434e-01 1.745428e-01 1.199618e-02 1.288947e-03 0.000485 0.001191 True native_MD 7 40 140 - CB_AB42_5 NE2_AB42_15 1 0.000000e+00 6.247288e-06 ; 3.281980e-01 -6.247288e-06 1.524398e-02 2.018974e-03 0.000485 0.000060 True native_MD 7 40 141 + CB_AB42_5 NE2_AB42_15 1 0.000000e+00 6.247253e-06 ; 3.281979e-01 -6.247253e-06 1.524398e-02 2.018974e-03 0.000485 0.000060 True native_MD 7 40 141 CB_AB42_5 C_AB42_15 1 1.666111e-03 5.128831e-06 ; 3.814044e-01 1.353099e-01 5.736582e-03 1.000174e-04 0.000485 0.000060 True native_MD 7 40 142 CB_AB42_5 O_AB42_15 1 4.463329e-04 3.183070e-07 ; 2.989036e-01 1.564630e-01 6.450310e-03 1.025102e-04 0.000485 0.001191 True native_MD 7 40 143 CB_AB42_5 N_AB42_16 1 1.420498e-03 4.664090e-06 ; 3.855266e-01 1.081570e-01 1.519720e-03 5.000239e-05 0.000485 0.000060 True native_MD 7 40 144 @@ -11285,7 +11285,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_5 CG_AB42_16 1 1.726655e-03 4.976957e-06 ; 3.772475e-01 1.497571e-01 5.277481e-03 5.654741e-04 0.000485 0.001190 True native_MD 7 40 148 CB_AB42_5 CD_AB42_16 1 2.097124e-03 7.432988e-06 ; 3.904720e-01 1.479192e-01 4.995058e-03 8.985930e-04 0.000485 0.001190 True native_MD 7 40 149 CB_AB42_5 CE_AB42_16 1 2.592008e-03 1.113977e-05 ; 4.032181e-01 1.507774e-01 6.077955e-03 1.329540e-03 0.000485 0.001190 True native_MD 7 40 150 - CB_AB42_5 NZ_AB42_16 1 0.000000e+00 3.667389e-06 ; 3.139483e-01 -3.667389e-06 3.059047e-03 6.944361e-04 0.000485 0.000060 True native_MD 7 40 151 + CB_AB42_5 NZ_AB42_16 1 0.000000e+00 3.667341e-06 ; 3.139479e-01 -3.667341e-06 3.059047e-03 6.944361e-04 0.000485 0.000060 True native_MD 7 40 151 CB_AB42_5 C_AB42_16 1 1.012367e-03 2.396589e-06 ; 3.650698e-01 1.069111e-01 2.257478e-03 9.207381e-05 0.000485 0.000060 True native_MD 7 40 152 CB_AB42_5 O_AB42_16 1 3.566612e-04 2.965970e-07 ; 3.066562e-01 1.072223e-01 1.477800e-03 5.002084e-05 0.000485 0.001191 True native_MD 7 40 153 CB_AB42_5 N_AB42_17 1 1.093788e-03 2.631054e-06 ; 3.660436e-01 1.136781e-01 1.792748e-03 5.002315e-05 0.000485 0.000060 True native_MD 7 40 154 @@ -11312,7 +11312,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_5 CE1_AB42_19 1 1.479952e-03 2.850157e-06 ; 3.527255e-01 1.921172e-01 1.874853e-02 1.727802e-03 0.000485 0.002332 True native_MD 7 40 178 CB_AB42_5 CE2_AB42_19 1 1.479952e-03 2.850157e-06 ; 3.527255e-01 1.921172e-01 1.874853e-02 1.727802e-03 0.000485 0.002332 True native_MD 7 40 179 CB_AB42_5 CZ_AB42_19 1 1.393532e-03 2.511252e-06 ; 3.488421e-01 1.933232e-01 1.943748e-02 2.324686e-03 0.000485 0.002332 True native_MD 7 40 180 - CB_AB42_5 C_AB42_19 1 0.000000e+00 6.320501e-06 ; 3.285168e-01 -6.320501e-06 2.469578e-03 3.444722e-04 0.000485 0.000060 True native_MD 7 40 181 + CB_AB42_5 C_AB42_19 1 0.000000e+00 6.320395e-06 ; 3.285164e-01 -6.320395e-06 2.469578e-03 3.444722e-04 0.000485 0.000060 True native_MD 7 40 181 CB_AB42_5 O_AB42_19 1 7.046645e-04 9.726789e-07 ; 3.336808e-01 1.276249e-01 2.721332e-03 3.926868e-04 0.000485 0.001191 True native_MD 7 40 182 CB_AB42_5 N_AB42_20 1 1.915709e-03 8.286516e-06 ; 4.036520e-01 1.107203e-01 1.640886e-03 6.409812e-07 0.000485 0.000060 True native_MD 7 40 183 CB_AB42_5 CA_AB42_20 1 3.530594e-03 1.844533e-05 ; 4.165557e-01 1.689465e-01 9.371830e-03 6.963885e-04 0.000485 0.001021 True native_MD 7 40 185 @@ -11342,7 +11342,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_5 N_AB42_23 1 2.067465e-03 1.005257e-05 ; 4.115979e-01 1.063015e-01 1.437636e-03 0.000000e+00 0.000485 0.000060 True native_MD 7 40 211 CB_AB42_5 CA_AB42_23 1 5.288343e-03 4.363331e-05 ; 4.495208e-01 1.602364e-01 7.221412e-03 3.528147e-04 0.000485 0.001021 True native_MD 7 40 213 CB_AB42_5 CB_AB42_23 1 1.365205e-03 3.166504e-06 ; 3.638288e-01 1.471484e-01 4.881145e-03 2.988276e-04 0.000485 0.001190 True native_MD 7 40 214 - CB_AB42_5 CG_AB42_23 1 0.000000e+00 6.314307e-06 ; 3.284900e-01 -6.314307e-06 3.556750e-03 4.537507e-04 0.000485 0.000060 True native_MD 7 40 215 + CB_AB42_5 CG_AB42_23 1 0.000000e+00 6.314201e-06 ; 3.284895e-01 -6.314201e-06 3.556750e-03 4.537507e-04 0.000485 0.000060 True native_MD 7 40 215 CB_AB42_5 OD1_AB42_23 1 4.216139e-04 4.394992e-07 ; 3.184250e-01 1.011141e-01 2.936463e-03 1.424551e-04 0.000485 0.000060 True native_MD 7 40 216 CB_AB42_5 OD2_AB42_23 1 4.216139e-04 4.394992e-07 ; 3.184250e-01 1.011141e-01 2.936463e-03 1.424551e-04 0.000485 0.000060 True native_MD 7 40 217 CB_AB42_5 C_AB42_23 1 1.575870e-03 6.618300e-06 ; 4.016715e-01 9.380682e-02 3.312784e-03 1.999941e-04 0.000485 0.000060 True native_MD 7 40 218 @@ -11378,7 +11378,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_5 CG_AB42_28 1 2.457460e-03 8.742279e-06 ; 3.907117e-01 1.726984e-01 1.048545e-02 1.319743e-04 0.000485 0.001190 True native_MD 7 40 253 CB_AB42_5 CD_AB42_28 1 3.612555e-03 1.938169e-05 ; 4.184043e-01 1.683361e-01 9.202205e-03 5.187711e-04 0.000485 0.001190 True native_MD 7 40 254 CB_AB42_5 CE_AB42_28 1 3.014013e-03 1.401761e-05 ; 4.085590e-01 1.620154e-01 7.616296e-03 4.856942e-04 0.000485 0.001190 True native_MD 7 40 255 - CB_AB42_5 NZ_AB42_28 1 0.000000e+00 3.668145e-06 ; 3.139537e-01 -3.668145e-06 2.772979e-03 6.138917e-04 0.000485 0.000060 True native_MD 7 40 256 + CB_AB42_5 NZ_AB42_28 1 0.000000e+00 3.668096e-06 ; 3.139533e-01 -3.668096e-06 2.772979e-03 6.138917e-04 0.000485 0.000060 True native_MD 7 40 256 CB_AB42_5 C_AB42_28 1 1.782101e-03 4.465439e-06 ; 3.685434e-01 1.778035e-01 1.221620e-02 5.003304e-05 0.000485 0.000060 True native_MD 7 40 257 CB_AB42_5 O_AB42_28 1 6.722982e-04 6.463749e-07 ; 3.141621e-01 1.748153e-01 1.117120e-02 1.009504e-04 0.000485 0.001191 True native_MD 7 40 258 CB_AB42_5 N_AB42_29 1 1.883622e-03 5.284710e-06 ; 3.755530e-01 1.678442e-01 9.067720e-03 0.000000e+00 0.000485 0.000060 True native_MD 7 40 259 @@ -11469,41 +11469,41 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_5 C_AB42_42 1 2.687078e-03 1.267109e-05 ; 4.095016e-01 1.424580e-01 7.492230e-03 1.054709e-04 0.000485 0.000060 True native_MD 7 40 358 CB_AB42_5 O1_AB42_42 1 4.834304e-04 6.063957e-07 ; 3.284004e-01 9.635001e-02 2.681938e-03 1.500444e-04 0.000485 0.000060 True native_MD 7 40 359 CB_AB42_5 O2_AB42_42 1 4.834304e-04 6.063957e-07 ; 3.284004e-01 9.635001e-02 2.681938e-03 1.500444e-04 0.000485 0.000060 True native_MD 7 40 360 - CG_AB42_5 NE_AB42_5 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 41 43 - CG_AB42_5 CZ_AB42_5 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 41 44 - CG_AB42_5 NH1_AB42_5 1 0.000000e+00 3.666916e-06 ; 3.139449e-01 -3.666916e-06 9.999160e-01 9.974228e-01 0.000485 0.000060 True native_MD 4 41 45 - CG_AB42_5 NH2_AB42_5 1 0.000000e+00 3.666916e-06 ; 3.139449e-01 -3.666916e-06 9.999160e-01 9.974228e-01 0.000485 0.000060 True native_MD 4 41 46 - CG_AB42_5 C_AB42_5 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 41 47 - CG_AB42_5 O_AB42_5 1 0.000000e+00 1.964866e-06 ; 2.980388e-01 -1.964866e-06 9.772616e-01 9.520639e-01 0.000485 0.000060 True native_MD 4 41 48 - CG_AB42_5 N_AB42_6 1 0.000000e+00 3.658006e-06 ; 3.138812e-01 -3.658006e-06 9.849077e-01 9.799907e-01 0.000485 0.000060 True native_MD 4 41 49 - CG_AB42_5 CA_AB42_6 1 0.000000e+00 2.928756e-05 ; 3.732948e-01 -2.928756e-05 7.773709e-01 6.979680e-01 0.000485 0.000060 True native_MD 5 41 51 - CG_AB42_5 CB_AB42_6 1 0.000000e+00 1.503582e-05 ; 3.531200e-01 -1.503582e-05 1.522039e-01 1.260957e-01 0.000485 0.000060 True native_MD 6 41 52 - CG_AB42_5 CG_AB42_6 1 0.000000e+00 6.488889e-06 ; 3.292374e-01 -6.488889e-06 4.039426e-02 6.485408e-02 0.000485 0.000060 True native_MD 7 41 53 - CG_AB42_5 ND1_AB42_6 1 0.000000e+00 4.958287e-06 ; 3.219383e-01 -4.958287e-06 3.732796e-02 6.548863e-02 0.000485 0.000060 True native_MD 7 41 54 + CG_AB42_5 NE_AB42_5 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 41 43 + CG_AB42_5 CZ_AB42_5 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 41 44 + CG_AB42_5 NH1_AB42_5 1 0.000000e+00 3.666868e-06 ; 3.139445e-01 -3.666868e-06 9.999160e-01 9.974228e-01 0.000485 0.000060 True native_MD 4 41 45 + CG_AB42_5 NH2_AB42_5 1 0.000000e+00 3.666868e-06 ; 3.139445e-01 -3.666868e-06 9.999160e-01 9.974228e-01 0.000485 0.000060 True native_MD 4 41 46 + CG_AB42_5 C_AB42_5 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 41 47 + CG_AB42_5 O_AB42_5 1 0.000000e+00 1.964859e-06 ; 2.980387e-01 -1.964859e-06 9.772616e-01 9.520639e-01 0.000485 0.000060 True native_MD 4 41 48 + CG_AB42_5 N_AB42_6 1 0.000000e+00 3.657958e-06 ; 3.138809e-01 -3.657958e-06 9.849077e-01 9.799907e-01 0.000485 0.000060 True native_MD 4 41 49 + CG_AB42_5 CA_AB42_6 1 0.000000e+00 2.928743e-05 ; 3.732947e-01 -2.928743e-05 7.773709e-01 6.979680e-01 0.000485 0.000060 True native_MD 5 41 51 + CG_AB42_5 CB_AB42_6 1 0.000000e+00 1.503558e-05 ; 3.531195e-01 -1.503558e-05 1.522039e-01 1.260957e-01 0.000485 0.000060 True native_MD 6 41 52 + CG_AB42_5 CG_AB42_6 1 0.000000e+00 6.488780e-06 ; 3.292370e-01 -6.488780e-06 4.039426e-02 6.485408e-02 0.000485 0.000060 True native_MD 7 41 53 + CG_AB42_5 ND1_AB42_6 1 0.000000e+00 4.958201e-06 ; 3.219378e-01 -4.958201e-06 3.732796e-02 6.548863e-02 0.000485 0.000060 True native_MD 7 41 54 CG_AB42_5 CD2_AB42_6 1 6.710246e-04 1.021793e-06 ; 3.391856e-01 1.101676e-01 4.907113e-02 7.090712e-02 0.000485 0.002332 True native_MD 7 41 55 CG_AB42_5 CE1_AB42_6 1 8.585330e-04 1.692263e-06 ; 3.540939e-01 1.088895e-01 3.933747e-02 5.905824e-02 0.000485 0.002332 True native_MD 7 41 56 - CG_AB42_5 NE2_AB42_6 1 0.000000e+00 4.852410e-06 ; 3.213597e-01 -4.852410e-06 4.181534e-02 4.802115e-02 0.000485 0.000060 True native_MD 7 41 57 - CG_AB42_5 C_AB42_6 1 0.000000e+00 4.902627e-06 ; 3.216356e-01 -4.902627e-06 3.228971e-01 9.691934e-02 0.000485 0.000060 True native_MD 6 41 58 + CG_AB42_5 NE2_AB42_6 1 0.000000e+00 4.852326e-06 ; 3.213593e-01 -4.852326e-06 4.181534e-02 4.802115e-02 0.000485 0.000060 True native_MD 7 41 57 + CG_AB42_5 C_AB42_6 1 0.000000e+00 4.902544e-06 ; 3.216351e-01 -4.902544e-06 3.228971e-01 9.691934e-02 0.000485 0.000060 True native_MD 6 41 58 CG_AB42_5 O_AB42_6 1 7.839567e-04 1.056182e-06 ; 3.323337e-01 1.454741e-01 1.457224e-01 3.736930e-02 0.000485 0.001191 True native_MD 7 41 59 - CG_AB42_5 N_AB42_7 1 0.000000e+00 3.187891e-06 ; 3.103037e-01 -3.187891e-06 2.017057e-01 6.890392e-02 0.000485 0.000060 True native_MD 7 41 60 + CG_AB42_5 N_AB42_7 1 0.000000e+00 3.187850e-06 ; 3.103034e-01 -3.187850e-06 2.017057e-01 6.890392e-02 0.000485 0.000060 True native_MD 7 41 60 CG_AB42_5 CA_AB42_7 1 3.188429e-03 1.990802e-05 ; 4.291165e-01 1.276631e-01 2.769516e-01 1.037816e-01 0.000485 0.001021 True native_MD 7 41 62 CG_AB42_5 CB_AB42_7 1 1.877751e-03 6.586776e-06 ; 3.897976e-01 1.338268e-01 2.167350e-01 7.873616e-02 0.000485 0.001190 True native_MD 7 41 63 - CG_AB42_5 CG_AB42_7 1 0.000000e+00 4.972515e-06 ; 3.220152e-01 -4.972515e-06 2.562570e-01 4.131312e-02 0.000485 0.000060 True native_MD 7 41 64 - CG_AB42_5 OD1_AB42_7 1 0.000000e+00 1.401503e-06 ; 2.897640e-01 -1.401503e-06 1.683465e-01 2.729355e-02 0.000485 0.000060 True native_MD 7 41 65 - CG_AB42_5 OD2_AB42_7 1 0.000000e+00 1.401503e-06 ; 2.897640e-01 -1.401503e-06 1.683465e-01 2.729355e-02 0.000485 0.000060 True native_MD 7 41 66 - CG_AB42_5 C_AB42_7 1 0.000000e+00 6.044640e-06 ; 3.272974e-01 -6.044640e-06 8.256132e-02 3.688364e-02 0.000485 0.000060 True native_MD 7 41 67 + CG_AB42_5 CG_AB42_7 1 0.000000e+00 4.972431e-06 ; 3.220147e-01 -4.972431e-06 2.562570e-01 4.131312e-02 0.000485 0.000060 True native_MD 7 41 64 + CG_AB42_5 OD1_AB42_7 1 0.000000e+00 1.401498e-06 ; 2.897640e-01 -1.401498e-06 1.683465e-01 2.729355e-02 0.000485 0.000060 True native_MD 7 41 65 + CG_AB42_5 OD2_AB42_7 1 0.000000e+00 1.401498e-06 ; 2.897640e-01 -1.401498e-06 1.683465e-01 2.729355e-02 0.000485 0.000060 True native_MD 7 41 66 + CG_AB42_5 C_AB42_7 1 0.000000e+00 6.044539e-06 ; 3.272969e-01 -6.044539e-06 8.256132e-02 3.688364e-02 0.000485 0.000060 True native_MD 7 41 67 CG_AB42_5 O_AB42_7 1 3.987561e-04 3.389765e-07 ; 3.077823e-01 1.172695e-01 6.669598e-02 3.977894e-02 0.000485 0.001191 True native_MD 7 41 68 - CG_AB42_5 N_AB42_8 1 0.000000e+00 3.618390e-06 ; 3.135966e-01 -3.618390e-06 3.431825e-02 1.862434e-02 0.000485 0.000060 True native_MD 7 41 69 + CG_AB42_5 N_AB42_8 1 0.000000e+00 3.618342e-06 ; 3.135962e-01 -3.618342e-06 3.431825e-02 1.862434e-02 0.000485 0.000060 True native_MD 7 41 69 CG_AB42_5 CA_AB42_8 1 3.226471e-03 2.397379e-05 ; 4.417414e-01 1.085573e-01 7.747513e-02 5.142693e-02 0.000485 0.001021 True native_MD 7 41 71 CG_AB42_5 CB_AB42_8 1 1.439469e-03 4.963021e-06 ; 3.886786e-01 1.043754e-01 6.487512e-02 5.689747e-02 0.000485 0.001190 True native_MD 7 41 72 - CG_AB42_5 OG_AB42_8 1 0.000000e+00 2.764650e-06 ; 3.066420e-01 -2.764650e-06 3.835398e-02 3.157997e-02 0.000485 0.000060 True native_MD 7 41 73 - CG_AB42_5 C_AB42_8 1 0.000000e+00 6.256016e-06 ; 3.282362e-01 -6.256016e-06 1.918860e-02 6.882697e-03 0.000485 0.000060 True native_MD 7 41 74 + CG_AB42_5 OG_AB42_8 1 0.000000e+00 2.764609e-06 ; 3.066416e-01 -2.764609e-06 3.835398e-02 3.157997e-02 0.000485 0.000060 True native_MD 7 41 73 + CG_AB42_5 C_AB42_8 1 0.000000e+00 6.255911e-06 ; 3.282357e-01 -6.255911e-06 1.918860e-02 6.882697e-03 0.000485 0.000060 True native_MD 7 41 74 CG_AB42_5 O_AB42_8 1 4.795159e-04 4.264591e-07 ; 3.101076e-01 1.347934e-01 1.895641e-02 6.692029e-03 0.000485 0.001191 True native_MD 7 41 75 - CG_AB42_5 N_AB42_9 1 0.000000e+00 3.659177e-06 ; 3.138896e-01 -3.659177e-06 9.559454e-03 4.960906e-03 0.000485 0.000060 True native_MD 7 41 76 + CG_AB42_5 N_AB42_9 1 0.000000e+00 3.659129e-06 ; 3.138893e-01 -3.659129e-06 9.559454e-03 4.960906e-03 0.000485 0.000060 True native_MD 7 41 76 CG_AB42_5 CA_AB42_9 1 1.926838e-03 7.176009e-06 ; 3.937069e-01 1.293443e-01 3.167251e-02 1.315786e-02 0.000485 0.001190 True native_MD 7 41 78 - CG_AB42_5 C_AB42_9 1 0.000000e+00 6.221334e-06 ; 3.280842e-01 -6.221334e-06 2.071351e-02 2.932027e-03 0.000485 0.000060 True native_MD 7 41 79 + CG_AB42_5 C_AB42_9 1 0.000000e+00 6.221229e-06 ; 3.280837e-01 -6.221229e-06 2.071351e-02 2.932027e-03 0.000485 0.000060 True native_MD 7 41 79 CG_AB42_5 O_AB42_9 1 6.699359e-04 6.675425e-07 ; 3.160392e-01 1.680845e-01 1.644927e-02 2.144250e-03 0.000485 0.001191 True native_MD 7 41 80 - CG_AB42_5 N_AB42_10 1 0.000000e+00 3.647679e-06 ; 3.138073e-01 -3.647679e-06 8.868503e-03 1.142182e-03 0.000485 0.000060 True native_MD 7 41 81 + CG_AB42_5 N_AB42_10 1 0.000000e+00 3.647631e-06 ; 3.138070e-01 -3.647631e-06 8.868503e-03 1.142182e-03 0.000485 0.000060 True native_MD 7 41 81 CG_AB42_5 CA_AB42_10 1 5.167873e-03 4.558282e-05 ; 4.545499e-01 1.464747e-01 3.914965e-02 8.355193e-03 0.000485 0.001021 True native_MD 7 41 83 CG_AB42_5 CB_AB42_10 1 1.736661e-03 5.127813e-06 ; 3.787647e-01 1.470409e-01 4.971888e-02 1.216262e-02 0.000485 0.001190 True native_MD 7 41 84 CG_AB42_5 CG_AB42_10 1 1.987939e-03 5.288585e-06 ; 3.722398e-01 1.868127e-01 5.112274e-02 7.453265e-03 0.000485 0.002332 True native_MD 7 41 85 @@ -11512,19 +11512,19 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CG_AB42_5 CE1_AB42_10 1 1.314716e-03 2.473947e-06 ; 3.513660e-01 1.746681e-01 6.428998e-02 1.348078e-02 0.000485 0.002332 True native_MD 7 41 88 CG_AB42_5 CE2_AB42_10 1 1.314716e-03 2.473947e-06 ; 3.513660e-01 1.746681e-01 6.428998e-02 1.348078e-02 0.000485 0.002332 True native_MD 7 41 89 CG_AB42_5 CZ_AB42_10 1 1.496496e-03 3.146912e-06 ; 3.579328e-01 1.779125e-01 7.348489e-02 1.398310e-02 0.000485 0.002332 True native_MD 7 41 90 - CG_AB42_5 OH_AB42_10 1 0.000000e+00 2.652567e-06 ; 3.055863e-01 -2.652567e-06 6.068919e-02 1.364824e-02 0.000485 0.000060 True native_MD 7 41 91 - CG_AB42_5 C_AB42_10 1 0.000000e+00 6.288281e-06 ; 3.283769e-01 -6.288281e-06 1.012059e-02 2.908725e-03 0.000485 0.000060 True native_MD 7 41 92 + CG_AB42_5 OH_AB42_10 1 0.000000e+00 2.652527e-06 ; 3.055859e-01 -2.652527e-06 6.068919e-02 1.364824e-02 0.000485 0.000060 True native_MD 7 41 91 + CG_AB42_5 C_AB42_10 1 0.000000e+00 6.288176e-06 ; 3.283765e-01 -6.288176e-06 1.012059e-02 2.908725e-03 0.000485 0.000060 True native_MD 7 41 92 CG_AB42_5 O_AB42_10 1 3.918520e-04 2.951668e-07 ; 3.016414e-01 1.300519e-01 9.402582e-03 3.825367e-03 0.000485 0.001191 True native_MD 7 41 93 CG_AB42_5 N_AB42_11 1 1.048212e-03 3.566195e-06 ; 3.878162e-01 7.702528e-02 5.192526e-03 5.179727e-04 0.000485 0.000060 True native_MD 7 41 94 CG_AB42_5 CA_AB42_11 1 2.827101e-03 1.589507e-05 ; 4.216837e-01 1.257072e-01 1.636283e-02 6.501218e-03 0.000485 0.001021 True native_MD 7 41 96 CG_AB42_5 CB_AB42_11 1 2.476347e-03 1.081198e-05 ; 4.042800e-01 1.417939e-01 1.773289e-02 5.075497e-03 0.000485 0.001190 True native_MD 7 41 97 CG_AB42_5 CG_AB42_11 1 1.700738e-03 5.198042e-06 ; 3.809492e-01 1.391154e-01 2.509568e-02 7.782338e-03 0.000485 0.001190 True native_MD 7 41 98 - CG_AB42_5 CD_AB42_11 1 0.000000e+00 6.203429e-06 ; 3.280054e-01 -6.203429e-06 2.777572e-02 7.167398e-03 0.000485 0.000060 True native_MD 7 41 99 - CG_AB42_5 OE1_AB42_11 1 0.000000e+00 1.612208e-06 ; 2.931659e-01 -1.612208e-06 1.635410e-02 4.437518e-03 0.000485 0.000060 True native_MD 7 41 100 - CG_AB42_5 OE2_AB42_11 1 0.000000e+00 1.612208e-06 ; 2.931659e-01 -1.612208e-06 1.635410e-02 4.437518e-03 0.000485 0.000060 True native_MD 7 41 101 - CG_AB42_5 C_AB42_11 1 0.000000e+00 6.313303e-06 ; 3.284856e-01 -6.313303e-06 4.403425e-03 1.141907e-03 0.000485 0.000060 True native_MD 7 41 102 + CG_AB42_5 CD_AB42_11 1 0.000000e+00 6.203325e-06 ; 3.280049e-01 -6.203325e-06 2.777572e-02 7.167398e-03 0.000485 0.000060 True native_MD 7 41 99 + CG_AB42_5 OE1_AB42_11 1 0.000000e+00 1.612203e-06 ; 2.931658e-01 -1.612203e-06 1.635410e-02 4.437518e-03 0.000485 0.000060 True native_MD 7 41 100 + CG_AB42_5 OE2_AB42_11 1 0.000000e+00 1.612203e-06 ; 2.931658e-01 -1.612203e-06 1.635410e-02 4.437518e-03 0.000485 0.000060 True native_MD 7 41 101 + CG_AB42_5 C_AB42_11 1 0.000000e+00 6.313197e-06 ; 3.284852e-01 -6.313197e-06 4.403425e-03 1.141907e-03 0.000485 0.000060 True native_MD 7 41 102 CG_AB42_5 O_AB42_11 1 5.296241e-04 5.290097e-07 ; 3.161666e-01 1.325598e-01 3.280943e-03 1.238310e-03 0.000485 0.001191 True native_MD 7 41 103 - CG_AB42_5 N_AB42_12 1 0.000000e+00 3.670286e-06 ; 3.139689e-01 -3.670286e-06 1.828787e-03 2.520617e-04 0.000485 0.000060 True native_MD 7 41 104 + CG_AB42_5 N_AB42_12 1 0.000000e+00 3.670237e-06 ; 3.139686e-01 -3.670237e-06 1.828787e-03 2.520617e-04 0.000485 0.000060 True native_MD 7 41 104 CG_AB42_5 CA_AB42_12 1 5.835896e-03 5.174016e-05 ; 4.549392e-01 1.645612e-01 1.539435e-02 1.912167e-03 0.000485 0.001021 True native_MD 7 41 106 CG_AB42_5 CB_AB42_12 1 3.136019e-03 1.684288e-05 ; 4.184783e-01 1.459759e-01 2.241808e-02 4.856346e-03 0.000485 0.001021 True native_MD 7 41 107 CG_AB42_5 CG1_AB42_12 1 2.232214e-03 7.477677e-06 ; 3.868166e-01 1.665885e-01 1.615220e-02 4.312992e-03 0.000485 0.002332 True native_MD 7 41 108 @@ -11534,21 +11534,21 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CG_AB42_5 N_AB42_13 1 9.591635e-04 3.261887e-06 ; 3.877895e-01 7.051091e-02 1.659229e-03 2.011405e-04 0.000485 0.000060 True native_MD 7 41 112 CG_AB42_5 CA_AB42_13 1 3.314604e-03 1.913088e-05 ; 4.235297e-01 1.435716e-01 9.194276e-03 2.140308e-03 0.000485 0.001021 True native_MD 7 41 114 CG_AB42_5 CB_AB42_13 1 2.550155e-03 1.224192e-05 ; 4.107212e-01 1.328078e-01 6.641686e-03 2.487524e-03 0.000485 0.001190 True native_MD 7 41 115 - CG_AB42_5 CG_AB42_13 1 0.000000e+00 6.310807e-06 ; 3.284748e-01 -6.310807e-06 5.327197e-03 1.671693e-03 0.000485 0.000060 True native_MD 7 41 116 - CG_AB42_5 ND1_AB42_13 1 0.000000e+00 4.797803e-06 ; 3.210568e-01 -4.797803e-06 7.618889e-03 2.501210e-03 0.000485 0.000060 True native_MD 7 41 117 + CG_AB42_5 CG_AB42_13 1 0.000000e+00 6.310701e-06 ; 3.284744e-01 -6.310701e-06 5.327197e-03 1.671693e-03 0.000485 0.000060 True native_MD 7 41 116 + CG_AB42_5 ND1_AB42_13 1 0.000000e+00 4.797720e-06 ; 3.210563e-01 -4.797720e-06 7.618889e-03 2.501210e-03 0.000485 0.000060 True native_MD 7 41 117 CG_AB42_5 CD2_AB42_13 1 1.329554e-03 3.197104e-06 ; 3.660231e-01 1.382278e-01 6.003043e-03 3.745814e-03 0.000485 0.002332 True native_MD 7 41 118 CG_AB42_5 CE1_AB42_13 1 8.777757e-04 1.387001e-06 ; 3.412837e-01 1.388770e-01 9.055465e-03 5.541762e-03 0.000485 0.002332 True native_MD 7 41 119 - CG_AB42_5 NE2_AB42_13 1 0.000000e+00 4.813661e-06 ; 3.211451e-01 -4.813661e-06 7.200530e-03 5.371226e-03 0.000485 0.000060 True native_MD 7 41 120 - CG_AB42_5 C_AB42_13 1 0.000000e+00 6.320601e-06 ; 3.285173e-01 -6.320601e-06 2.459226e-03 3.498897e-04 0.000485 0.000060 True native_MD 7 41 121 + CG_AB42_5 NE2_AB42_13 1 0.000000e+00 4.813578e-06 ; 3.211446e-01 -4.813578e-06 7.200530e-03 5.371226e-03 0.000485 0.000060 True native_MD 7 41 120 + CG_AB42_5 C_AB42_13 1 0.000000e+00 6.320494e-06 ; 3.285168e-01 -6.320494e-06 2.459226e-03 3.498897e-04 0.000485 0.000060 True native_MD 7 41 121 CG_AB42_5 O_AB42_13 1 8.129459e-04 1.279199e-06 ; 3.410458e-01 1.291592e-01 2.849194e-03 6.664446e-04 0.000485 0.001191 True native_MD 7 41 122 CG_AB42_5 N_AB42_14 1 1.866506e-03 1.047522e-05 ; 4.215563e-01 8.314490e-02 7.189356e-04 5.140505e-05 0.000485 0.000060 True native_MD 7 41 123 CG_AB42_5 CA_AB42_14 1 3.959261e-03 2.431088e-05 ; 4.279218e-01 1.612009e-01 7.432898e-03 9.403263e-04 0.000485 0.001021 True native_MD 7 41 125 CG_AB42_5 CB_AB42_14 1 2.367072e-03 9.229405e-06 ; 3.967288e-01 1.517712e-01 8.006838e-03 1.700159e-03 0.000485 0.001190 True native_MD 7 41 126 - CG_AB42_5 CG_AB42_14 1 0.000000e+00 6.294854e-06 ; 3.284055e-01 -6.294854e-06 7.180147e-03 1.005974e-03 0.000485 0.000060 True native_MD 7 41 127 - CG_AB42_5 ND1_AB42_14 1 0.000000e+00 4.789680e-06 ; 3.210115e-01 -4.789680e-06 8.755561e-03 1.953560e-03 0.000485 0.000060 True native_MD 7 41 128 + CG_AB42_5 CG_AB42_14 1 0.000000e+00 6.294748e-06 ; 3.284051e-01 -6.294748e-06 7.180147e-03 1.005974e-03 0.000485 0.000060 True native_MD 7 41 127 + CG_AB42_5 ND1_AB42_14 1 0.000000e+00 4.789597e-06 ; 3.210110e-01 -4.789597e-06 8.755561e-03 1.953560e-03 0.000485 0.000060 True native_MD 7 41 128 CG_AB42_5 CD2_AB42_14 1 1.329981e-03 2.739199e-06 ; 3.566945e-01 1.614385e-01 7.485940e-03 2.125984e-03 0.000485 0.002332 True native_MD 7 41 129 CG_AB42_5 CE1_AB42_14 1 8.453005e-04 1.148496e-06 ; 3.328023e-01 1.555367e-01 9.742281e-03 3.621403e-03 0.000485 0.002332 True native_MD 7 41 130 - CG_AB42_5 NE2_AB42_14 1 0.000000e+00 4.799593e-06 ; 3.210668e-01 -4.799593e-06 8.059964e-03 3.313473e-03 0.000485 0.000060 True native_MD 7 41 131 + CG_AB42_5 NE2_AB42_14 1 0.000000e+00 4.799510e-06 ; 3.210663e-01 -4.799510e-06 8.059964e-03 3.313473e-03 0.000485 0.000060 True native_MD 7 41 131 CG_AB42_5 C_AB42_14 1 1.613402e-03 5.378263e-06 ; 3.865004e-01 1.209994e-01 4.389297e-03 1.174375e-04 0.000485 0.000060 True native_MD 7 41 132 CG_AB42_5 O_AB42_14 1 6.038994e-04 6.290631e-07 ; 3.183867e-01 1.449356e-01 4.568386e-03 1.247958e-04 0.000485 0.001191 True native_MD 7 41 133 CG_AB42_5 N_AB42_15 1 1.751262e-03 7.741711e-06 ; 4.051175e-01 9.903875e-02 1.936305e-03 9.995401e-05 0.000485 0.000060 True native_MD 7 41 134 @@ -11557,7 +11557,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CG_AB42_5 CG_AB42_15 1 3.332025e-03 1.499443e-05 ; 4.063220e-01 1.851085e-01 1.520116e-02 1.171294e-03 0.000485 0.001190 True native_MD 7 41 138 CG_AB42_5 CD_AB42_15 1 5.368145e-04 9.720745e-07 ; 3.491236e-01 7.411208e-02 1.801130e-02 1.960357e-03 0.000485 0.000060 True native_MD 7 41 139 CG_AB42_5 OE1_AB42_15 1 7.029731e-04 6.897845e-07 ; 3.152311e-01 1.791035e-01 1.842894e-02 1.727504e-03 0.000485 0.001191 True native_MD 7 41 140 - CG_AB42_5 NE2_AB42_15 1 0.000000e+00 6.237316e-06 ; 3.281543e-01 -6.237316e-06 1.698841e-02 2.188247e-03 0.000485 0.000060 True native_MD 7 41 141 + CG_AB42_5 NE2_AB42_15 1 0.000000e+00 6.237281e-06 ; 3.281542e-01 -6.237281e-06 1.698841e-02 2.188247e-03 0.000485 0.000060 True native_MD 7 41 141 CG_AB42_5 C_AB42_15 1 1.869009e-03 7.562651e-06 ; 3.991877e-01 1.154752e-01 4.197178e-03 1.324844e-04 0.000485 0.000060 True native_MD 7 41 142 CG_AB42_5 O_AB42_15 1 7.651835e-04 9.479258e-07 ; 3.277189e-01 1.544176e-01 6.067333e-03 3.236819e-04 0.000485 0.001191 True native_MD 7 41 143 CG_AB42_5 N_AB42_16 1 1.392460e-03 4.334243e-06 ; 3.821100e-01 1.118387e-01 1.696734e-03 2.659135e-05 0.000485 0.000060 True native_MD 7 41 144 @@ -11566,7 +11566,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CG_AB42_5 CG_AB42_16 1 2.651838e-03 1.165233e-05 ; 4.047103e-01 1.508763e-01 5.457238e-03 6.634075e-04 0.000485 0.001190 True native_MD 7 41 148 CG_AB42_5 CD_AB42_16 1 2.588039e-03 1.111785e-05 ; 4.031887e-01 1.506124e-01 5.414308e-03 1.083108e-03 0.000485 0.001190 True native_MD 7 41 149 CG_AB42_5 CE_AB42_16 1 2.545596e-03 1.170067e-05 ; 4.077590e-01 1.384549e-01 5.239041e-03 1.657096e-03 0.000485 0.001190 True native_MD 7 41 150 - CG_AB42_5 NZ_AB42_16 1 0.000000e+00 3.670223e-06 ; 3.139685e-01 -3.670223e-06 2.491662e-03 8.979966e-04 0.000485 0.000060 True native_MD 7 41 151 + CG_AB42_5 NZ_AB42_16 1 0.000000e+00 3.670175e-06 ; 3.139681e-01 -3.670175e-06 2.491662e-03 8.979966e-04 0.000485 0.000060 True native_MD 7 41 151 CG_AB42_5 C_AB42_16 1 1.059948e-03 3.053405e-06 ; 3.772101e-01 9.198669e-02 2.380884e-03 1.517812e-04 0.000485 0.000060 True native_MD 7 41 152 CG_AB42_5 O_AB42_16 1 3.461528e-04 2.659662e-07 ; 3.026401e-01 1.126287e-01 1.737327e-03 2.704814e-04 0.000485 0.001191 True native_MD 7 41 153 CG_AB42_5 N_AB42_17 1 5.371034e-04 7.688444e-07 ; 3.357093e-01 9.380312e-02 1.615296e-03 9.752687e-05 0.000485 0.000060 True native_MD 7 41 154 @@ -11659,7 +11659,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CG_AB42_5 CG_AB42_28 1 2.412764e-03 8.321280e-06 ; 3.886982e-01 1.748959e-01 1.119816e-02 4.124351e-04 0.000485 0.001190 True native_MD 7 41 253 CG_AB42_5 CD_AB42_28 1 2.388483e-03 8.451196e-06 ; 3.903606e-01 1.687586e-01 9.319295e-03 4.875879e-04 0.000485 0.001190 True native_MD 7 41 254 CG_AB42_5 CE_AB42_28 1 3.067743e-03 1.435227e-05 ; 4.089626e-01 1.639296e-01 8.065322e-03 8.087933e-04 0.000485 0.001190 True native_MD 7 41 255 - CG_AB42_5 NZ_AB42_28 1 0.000000e+00 3.670195e-06 ; 3.139683e-01 -3.670195e-06 2.303680e-03 7.022941e-04 0.000485 0.000060 True native_MD 7 41 256 + CG_AB42_5 NZ_AB42_28 1 0.000000e+00 3.670147e-06 ; 3.139679e-01 -3.670147e-06 2.303680e-03 7.022941e-04 0.000485 0.000060 True native_MD 7 41 256 CG_AB42_5 C_AB42_28 1 2.173178e-03 8.887451e-06 ; 3.998959e-01 1.328475e-01 1.453084e-02 2.727192e-04 0.000485 0.000060 True native_MD 7 41 257 CG_AB42_5 O_AB42_28 1 5.475465e-04 4.310357e-07 ; 3.038660e-01 1.738877e-01 1.086534e-02 2.529434e-04 0.000485 0.001191 True native_MD 7 41 258 CG_AB42_5 N_AB42_29 1 2.228310e-03 8.485273e-06 ; 3.951679e-01 1.462937e-01 8.773264e-03 1.101111e-04 0.000485 0.000060 True native_MD 7 41 259 @@ -11750,39 +11750,39 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CG_AB42_5 C_AB42_42 1 2.210346e-03 7.839439e-06 ; 3.905148e-01 1.558029e-01 1.504937e-02 1.421020e-04 0.000485 0.000060 True native_MD 7 41 358 CG_AB42_5 O1_AB42_42 1 4.642598e-04 4.441528e-07 ; 3.139028e-01 1.213193e-01 5.941826e-03 1.574613e-04 0.000485 0.000060 True native_MD 7 41 359 CG_AB42_5 O2_AB42_42 1 4.642598e-04 4.441528e-07 ; 3.139028e-01 1.213193e-01 5.941826e-03 1.574613e-04 0.000485 0.000060 True native_MD 7 41 360 - CD_AB42_5 NE_AB42_5 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 42 43 - CD_AB42_5 CZ_AB42_5 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 42 44 - CD_AB42_5 NH1_AB42_5 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 42 45 - CD_AB42_5 NH2_AB42_5 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 42 46 - CD_AB42_5 C_AB42_5 1 0.000000e+00 6.285192e-06 ; 3.283635e-01 -6.285192e-06 9.977990e-01 9.900994e-01 0.000485 0.000060 True native_MD 4 42 47 - CD_AB42_5 O_AB42_5 1 0.000000e+00 2.042322e-06 ; 2.990006e-01 -2.042322e-06 2.229383e-01 2.361677e-01 0.000485 0.000060 True native_MD 5 42 48 - CD_AB42_5 N_AB42_6 1 0.000000e+00 3.255715e-06 ; 3.108486e-01 -3.255715e-06 3.024381e-01 1.880864e-01 0.000485 0.000060 True native_MD 5 42 49 - CD_AB42_5 CA_AB42_6 1 0.000000e+00 2.834012e-05 ; 3.722732e-01 -2.834012e-05 2.614089e-01 1.522251e-01 0.000485 0.000060 True native_MD 6 42 51 + CD_AB42_5 NE_AB42_5 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 42 43 + CD_AB42_5 CZ_AB42_5 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 42 44 + CD_AB42_5 NH1_AB42_5 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 42 45 + CD_AB42_5 NH2_AB42_5 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 42 46 + CD_AB42_5 C_AB42_5 1 0.000000e+00 6.285087e-06 ; 3.283630e-01 -6.285087e-06 9.977990e-01 9.900994e-01 0.000485 0.000060 True native_MD 4 42 47 + CD_AB42_5 O_AB42_5 1 0.000000e+00 2.042315e-06 ; 2.990005e-01 -2.042315e-06 2.229383e-01 2.361677e-01 0.000485 0.000060 True native_MD 5 42 48 + CD_AB42_5 N_AB42_6 1 0.000000e+00 3.255673e-06 ; 3.108482e-01 -3.255673e-06 3.024381e-01 1.880864e-01 0.000485 0.000060 True native_MD 5 42 49 + CD_AB42_5 CA_AB42_6 1 0.000000e+00 2.834000e-05 ; 3.722731e-01 -2.834000e-05 2.614089e-01 1.522251e-01 0.000485 0.000060 True native_MD 6 42 51 CD_AB42_5 CB_AB42_6 1 4.797991e-03 5.917490e-05 ; 4.806693e-01 9.725712e-02 1.744557e-02 1.893278e-02 0.000485 0.001190 True native_MD 7 42 52 - CD_AB42_5 CG_AB42_6 1 0.000000e+00 6.308414e-06 ; 3.284644e-01 -6.308414e-06 2.293870e-02 1.890533e-02 0.000485 0.000060 True native_MD 7 42 53 - CD_AB42_5 ND1_AB42_6 1 0.000000e+00 4.883257e-06 ; 3.215295e-01 -4.883257e-06 2.072585e-02 3.332812e-02 0.000485 0.000060 True native_MD 7 42 54 + CD_AB42_5 CG_AB42_6 1 0.000000e+00 6.308308e-06 ; 3.284640e-01 -6.308308e-06 2.293870e-02 1.890533e-02 0.000485 0.000060 True native_MD 7 42 53 + CD_AB42_5 ND1_AB42_6 1 0.000000e+00 4.883172e-06 ; 3.215290e-01 -4.883172e-06 2.072585e-02 3.332812e-02 0.000485 0.000060 True native_MD 7 42 54 CD_AB42_5 CD2_AB42_6 1 1.241079e-03 3.184041e-06 ; 3.699956e-01 1.209373e-01 3.662925e-02 3.834614e-02 0.000485 0.002332 True native_MD 7 42 55 CD_AB42_5 CE1_AB42_6 1 9.240594e-04 1.914867e-06 ; 3.570588e-01 1.114811e-01 3.232594e-02 4.491008e-02 0.000485 0.002332 True native_MD 7 42 56 - CD_AB42_5 NE2_AB42_6 1 0.000000e+00 4.816552e-06 ; 3.211612e-01 -4.816552e-06 3.745667e-02 3.622681e-02 0.000485 0.000060 True native_MD 7 42 57 - CD_AB42_5 C_AB42_6 1 0.000000e+00 6.093361e-06 ; 3.275164e-01 -6.093361e-06 4.949936e-02 1.151366e-02 0.000485 0.000060 True native_MD 7 42 58 + CD_AB42_5 NE2_AB42_6 1 0.000000e+00 4.816468e-06 ; 3.211607e-01 -4.816468e-06 3.745667e-02 3.622681e-02 0.000485 0.000060 True native_MD 7 42 57 + CD_AB42_5 C_AB42_6 1 0.000000e+00 6.093259e-06 ; 3.275160e-01 -6.093259e-06 4.949936e-02 1.151366e-02 0.000485 0.000060 True native_MD 7 42 58 CD_AB42_5 O_AB42_6 1 5.427451e-04 4.917143e-07 ; 3.110662e-01 1.497680e-01 6.225251e-02 1.403908e-02 0.000485 0.001191 True native_MD 7 42 59 - CD_AB42_5 N_AB42_7 1 0.000000e+00 3.512044e-06 ; 3.128179e-01 -3.512044e-06 7.015178e-02 2.552872e-02 0.000485 0.000060 True native_MD 7 42 60 + CD_AB42_5 N_AB42_7 1 0.000000e+00 3.511997e-06 ; 3.128176e-01 -3.511997e-06 7.015178e-02 2.552872e-02 0.000485 0.000060 True native_MD 7 42 60 CD_AB42_5 CA_AB42_7 1 5.060049e-03 4.918906e-05 ; 4.619755e-01 1.301310e-01 1.939180e-01 6.749312e-02 0.000485 0.001021 True native_MD 7 42 62 CD_AB42_5 CB_AB42_7 1 2.253664e-03 9.754559e-06 ; 4.036947e-01 1.301700e-01 1.739582e-01 7.050447e-02 0.000485 0.001190 True native_MD 7 42 63 - CD_AB42_5 CG_AB42_7 1 0.000000e+00 4.980015e-06 ; 3.220556e-01 -4.980015e-06 2.534496e-01 3.968989e-02 0.000485 0.000060 True native_MD 7 42 64 - CD_AB42_5 OD1_AB42_7 1 0.000000e+00 1.395479e-06 ; 2.896601e-01 -1.395479e-06 1.714983e-01 2.675372e-02 0.000485 0.000060 True native_MD 7 42 65 - CD_AB42_5 OD2_AB42_7 1 0.000000e+00 1.395479e-06 ; 2.896601e-01 -1.395479e-06 1.714983e-01 2.675372e-02 0.000485 0.000060 True native_MD 7 42 66 - CD_AB42_5 C_AB42_7 1 0.000000e+00 6.095823e-06 ; 3.275274e-01 -6.095823e-06 6.177372e-02 2.417674e-02 0.000485 0.000060 True native_MD 7 42 67 + CD_AB42_5 CG_AB42_7 1 0.000000e+00 4.979932e-06 ; 3.220552e-01 -4.979932e-06 2.534496e-01 3.968989e-02 0.000485 0.000060 True native_MD 7 42 64 + CD_AB42_5 OD1_AB42_7 1 0.000000e+00 1.395474e-06 ; 2.896600e-01 -1.395474e-06 1.714983e-01 2.675372e-02 0.000485 0.000060 True native_MD 7 42 65 + CD_AB42_5 OD2_AB42_7 1 0.000000e+00 1.395474e-06 ; 2.896600e-01 -1.395474e-06 1.714983e-01 2.675372e-02 0.000485 0.000060 True native_MD 7 42 66 + CD_AB42_5 C_AB42_7 1 0.000000e+00 6.095721e-06 ; 3.275270e-01 -6.095721e-06 6.177372e-02 2.417674e-02 0.000485 0.000060 True native_MD 7 42 67 CD_AB42_5 O_AB42_7 1 4.443970e-04 4.232642e-07 ; 3.136703e-01 1.166463e-01 5.797568e-02 3.522896e-02 0.000485 0.001191 True native_MD 7 42 68 - CD_AB42_5 N_AB42_8 1 0.000000e+00 3.621986e-06 ; 3.136225e-01 -3.621986e-06 2.642867e-02 1.171308e-02 0.000485 0.000060 True native_MD 7 42 69 + CD_AB42_5 N_AB42_8 1 0.000000e+00 3.621938e-06 ; 3.136222e-01 -3.621938e-06 2.642867e-02 1.171308e-02 0.000485 0.000060 True native_MD 7 42 69 CD_AB42_5 CA_AB42_8 1 3.197394e-03 2.358976e-05 ; 4.412194e-01 1.083450e-01 7.385752e-02 4.933809e-02 0.000485 0.001021 True native_MD 7 42 71 CD_AB42_5 CB_AB42_8 1 1.378086e-03 4.656070e-06 ; 3.873681e-01 1.019702e-01 5.698597e-02 5.370852e-02 0.000485 0.001190 True native_MD 7 42 72 - CD_AB42_5 OG_AB42_8 1 0.000000e+00 2.768270e-06 ; 3.066755e-01 -2.768270e-06 3.663846e-02 3.116494e-02 0.000485 0.000060 True native_MD 7 42 73 - CD_AB42_5 C_AB42_8 1 0.000000e+00 6.225586e-06 ; 3.281029e-01 -6.225586e-06 2.530251e-02 8.192342e-03 0.000485 0.000060 True native_MD 7 42 74 + CD_AB42_5 OG_AB42_8 1 0.000000e+00 2.768229e-06 ; 3.066751e-01 -2.768229e-06 3.663846e-02 3.116494e-02 0.000485 0.000060 True native_MD 7 42 73 + CD_AB42_5 C_AB42_8 1 0.000000e+00 6.225481e-06 ; 3.281024e-01 -6.225481e-06 2.530251e-02 8.192342e-03 0.000485 0.000060 True native_MD 7 42 74 CD_AB42_5 O_AB42_8 1 4.595865e-04 3.952968e-07 ; 3.083846e-01 1.335830e-01 1.936600e-02 7.088798e-03 0.000485 0.001191 True native_MD 7 42 75 - CD_AB42_5 N_AB42_9 1 0.000000e+00 3.633694e-06 ; 3.137069e-01 -3.633694e-06 1.662974e-02 5.099111e-03 0.000485 0.000060 True native_MD 7 42 76 + CD_AB42_5 N_AB42_9 1 0.000000e+00 3.633646e-06 ; 3.137065e-01 -3.633646e-06 1.662974e-02 5.099111e-03 0.000485 0.000060 True native_MD 7 42 76 CD_AB42_5 CA_AB42_9 1 2.056313e-03 7.655296e-06 ; 3.936819e-01 1.380882e-01 4.118488e-02 1.317041e-02 0.000485 0.001190 True native_MD 7 42 78 - CD_AB42_5 C_AB42_9 1 0.000000e+00 6.193234e-06 ; 3.279604e-01 -6.193234e-06 2.568522e-02 3.467404e-03 0.000485 0.000060 True native_MD 7 42 79 + CD_AB42_5 C_AB42_9 1 0.000000e+00 6.193130e-06 ; 3.279600e-01 -6.193130e-06 2.568522e-02 3.467404e-03 0.000485 0.000060 True native_MD 7 42 79 CD_AB42_5 O_AB42_9 1 4.221770e-04 2.697960e-07 ; 2.934879e-01 1.651557e-01 2.037165e-02 2.898806e-03 0.000485 0.001191 True native_MD 7 42 80 CD_AB42_5 N_AB42_10 1 1.145197e-03 4.061171e-06 ; 3.905067e-01 8.073258e-02 1.441208e-02 1.286685e-03 0.000485 0.000060 True native_MD 7 42 81 CD_AB42_5 CA_AB42_10 1 3.483734e-03 2.020035e-05 ; 4.238566e-01 1.502004e-01 4.857503e-02 9.273000e-03 0.000485 0.001021 True native_MD 7 42 83 @@ -11793,19 +11793,19 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CD_AB42_5 CE1_AB42_10 1 1.290577e-03 2.368162e-06 ; 3.498951e-01 1.758315e-01 7.376138e-02 1.493760e-02 0.000485 0.002332 True native_MD 7 42 88 CD_AB42_5 CE2_AB42_10 1 1.290577e-03 2.368162e-06 ; 3.498951e-01 1.758315e-01 7.376138e-02 1.493760e-02 0.000485 0.002332 True native_MD 7 42 89 CD_AB42_5 CZ_AB42_10 1 1.391418e-03 2.721919e-06 ; 3.536467e-01 1.778197e-01 8.343958e-02 1.592150e-02 0.000485 0.002332 True native_MD 7 42 90 - CD_AB42_5 OH_AB42_10 1 0.000000e+00 2.646769e-06 ; 3.055306e-01 -2.646769e-06 6.350162e-02 1.437764e-02 0.000485 0.000060 True native_MD 7 42 91 - CD_AB42_5 C_AB42_10 1 0.000000e+00 6.267402e-06 ; 3.282860e-01 -6.267402e-06 1.388692e-02 3.378684e-03 0.000485 0.000060 True native_MD 7 42 92 + CD_AB42_5 OH_AB42_10 1 0.000000e+00 2.646729e-06 ; 3.055302e-01 -2.646729e-06 6.350162e-02 1.437764e-02 0.000485 0.000060 True native_MD 7 42 91 + CD_AB42_5 C_AB42_10 1 0.000000e+00 6.267297e-06 ; 3.282855e-01 -6.267297e-06 1.388692e-02 3.378684e-03 0.000485 0.000060 True native_MD 7 42 92 CD_AB42_5 O_AB42_10 1 3.294899e-04 2.101496e-07 ; 2.933917e-01 1.291503e-01 9.997331e-03 4.178562e-03 0.000485 0.001191 True native_MD 7 42 93 - CD_AB42_5 N_AB42_11 1 0.000000e+00 3.653726e-06 ; 3.138506e-01 -3.653726e-06 6.945173e-03 8.638868e-04 0.000485 0.000060 True native_MD 7 42 94 + CD_AB42_5 N_AB42_11 1 0.000000e+00 3.653678e-06 ; 3.138503e-01 -3.653678e-06 6.945173e-03 8.638868e-04 0.000485 0.000060 True native_MD 7 42 94 CD_AB42_5 CA_AB42_11 1 2.225169e-03 9.855395e-06 ; 4.052458e-01 1.256007e-01 2.021455e-02 8.057206e-03 0.000485 0.001021 True native_MD 7 42 96 CD_AB42_5 CB_AB42_11 1 1.959852e-03 6.817836e-06 ; 3.892577e-01 1.408445e-01 2.067693e-02 6.088695e-03 0.000485 0.001190 True native_MD 7 42 97 CD_AB42_5 CG_AB42_11 1 1.348154e-03 3.294880e-06 ; 3.670146e-01 1.379047e-01 2.674316e-02 8.599217e-03 0.000485 0.001190 True native_MD 7 42 98 - CD_AB42_5 CD_AB42_11 1 0.000000e+00 6.201907e-06 ; 3.279987e-01 -6.201907e-06 2.932457e-02 8.476029e-03 0.000485 0.000060 True native_MD 7 42 99 - CD_AB42_5 OE1_AB42_11 1 0.000000e+00 1.610074e-06 ; 2.931335e-01 -1.610074e-06 1.877783e-02 5.553313e-03 0.000485 0.000060 True native_MD 7 42 100 - CD_AB42_5 OE2_AB42_11 1 0.000000e+00 1.610074e-06 ; 2.931335e-01 -1.610074e-06 1.877783e-02 5.553313e-03 0.000485 0.000060 True native_MD 7 42 101 - CD_AB42_5 C_AB42_11 1 0.000000e+00 6.307821e-06 ; 3.284619e-01 -6.307821e-06 6.113078e-03 1.986177e-03 0.000485 0.000060 True native_MD 7 42 102 + CD_AB42_5 CD_AB42_11 1 0.000000e+00 6.201803e-06 ; 3.279982e-01 -6.201803e-06 2.932457e-02 8.476029e-03 0.000485 0.000060 True native_MD 7 42 99 + CD_AB42_5 OE1_AB42_11 1 0.000000e+00 1.610069e-06 ; 2.931334e-01 -1.610069e-06 1.877783e-02 5.553313e-03 0.000485 0.000060 True native_MD 7 42 100 + CD_AB42_5 OE2_AB42_11 1 0.000000e+00 1.610069e-06 ; 2.931334e-01 -1.610069e-06 1.877783e-02 5.553313e-03 0.000485 0.000060 True native_MD 7 42 101 + CD_AB42_5 C_AB42_11 1 0.000000e+00 6.307716e-06 ; 3.284614e-01 -6.307716e-06 6.113078e-03 1.986177e-03 0.000485 0.000060 True native_MD 7 42 102 CD_AB42_5 O_AB42_11 1 4.039502e-04 3.182243e-07 ; 3.039025e-01 1.281924e-01 4.113080e-03 1.769129e-03 0.000485 0.001191 True native_MD 7 42 103 - CD_AB42_5 N_AB42_12 1 0.000000e+00 3.665663e-06 ; 3.139359e-01 -3.665663e-06 3.531727e-03 6.975946e-04 0.000485 0.000060 True native_MD 7 42 104 + CD_AB42_5 N_AB42_12 1 0.000000e+00 3.665615e-06 ; 3.139356e-01 -3.665615e-06 3.531727e-03 6.975946e-04 0.000485 0.000060 True native_MD 7 42 104 CD_AB42_5 CA_AB42_12 1 3.555503e-03 1.950856e-05 ; 4.199723e-01 1.620008e-01 2.035010e-02 2.729027e-03 0.000485 0.001021 True native_MD 7 42 106 CD_AB42_5 CB_AB42_12 1 2.221456e-03 8.422963e-06 ; 3.948855e-01 1.464706e-01 2.550577e-02 5.444020e-03 0.000485 0.001021 True native_MD 7 42 107 CD_AB42_5 CG1_AB42_12 1 1.564595e-03 3.548894e-06 ; 3.624782e-01 1.724450e-01 1.898284e-02 4.253952e-03 0.000485 0.002332 True native_MD 7 42 108 @@ -11815,21 +11815,21 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CD_AB42_5 N_AB42_13 1 1.688586e-03 7.359290e-06 ; 4.041589e-01 9.686134e-02 3.688604e-03 2.032299e-04 0.000485 0.000060 True native_MD 7 42 112 CD_AB42_5 CA_AB42_13 1 2.900844e-03 1.422988e-05 ; 4.122046e-01 1.478385e-01 1.172882e-02 2.403022e-03 0.000485 0.001021 True native_MD 7 42 114 CD_AB42_5 CB_AB42_13 1 2.100703e-03 8.186289e-06 ; 3.966923e-01 1.347667e-01 8.486151e-03 2.997375e-03 0.000485 0.001190 True native_MD 7 42 115 - CD_AB42_5 CG_AB42_13 1 0.000000e+00 6.301527e-06 ; 3.284345e-01 -6.301527e-06 7.355860e-03 2.235138e-03 0.000485 0.000060 True native_MD 7 42 116 - CD_AB42_5 ND1_AB42_13 1 0.000000e+00 4.802961e-06 ; 3.210855e-01 -4.802961e-06 7.182315e-03 3.134229e-03 0.000485 0.000060 True native_MD 7 42 117 + CD_AB42_5 CG_AB42_13 1 0.000000e+00 6.301421e-06 ; 3.284341e-01 -6.301421e-06 7.355860e-03 2.235138e-03 0.000485 0.000060 True native_MD 7 42 116 + CD_AB42_5 ND1_AB42_13 1 0.000000e+00 4.802878e-06 ; 3.210851e-01 -4.802878e-06 7.182315e-03 3.134229e-03 0.000485 0.000060 True native_MD 7 42 117 CD_AB42_5 CD2_AB42_13 1 1.296042e-03 2.921503e-06 ; 3.621022e-01 1.437382e-01 7.394214e-03 3.912460e-03 0.000485 0.002332 True native_MD 7 42 118 CD_AB42_5 CE1_AB42_13 1 7.230811e-04 9.822648e-07 ; 3.327925e-01 1.330716e-01 9.066123e-03 6.600985e-03 0.000485 0.002332 True native_MD 7 42 119 - CD_AB42_5 NE2_AB42_13 1 0.000000e+00 4.809944e-06 ; 3.211244e-01 -4.809944e-06 8.271788e-03 5.671752e-03 0.000485 0.000060 True native_MD 7 42 120 - CD_AB42_5 C_AB42_13 1 0.000000e+00 6.309477e-06 ; 3.284690e-01 -6.309477e-06 4.553708e-03 6.882307e-04 0.000485 0.000060 True native_MD 7 42 121 + CD_AB42_5 NE2_AB42_13 1 0.000000e+00 4.809861e-06 ; 3.211240e-01 -4.809861e-06 8.271788e-03 5.671752e-03 0.000485 0.000060 True native_MD 7 42 120 + CD_AB42_5 C_AB42_13 1 0.000000e+00 6.309371e-06 ; 3.284686e-01 -6.309371e-06 4.553708e-03 6.882307e-04 0.000485 0.000060 True native_MD 7 42 121 CD_AB42_5 O_AB42_13 1 3.429550e-04 2.152226e-07 ; 2.926005e-01 1.366238e-01 3.562360e-03 8.029625e-04 0.000485 0.001191 True native_MD 7 42 122 CD_AB42_5 N_AB42_14 1 1.506880e-03 7.881278e-06 ; 4.166323e-01 7.202790e-02 2.051578e-03 2.376651e-04 0.000485 0.000060 True native_MD 7 42 123 CD_AB42_5 CA_AB42_14 1 2.846452e-03 1.233780e-05 ; 4.037900e-01 1.641762e-01 9.590287e-03 1.205033e-03 0.000485 0.001021 True native_MD 7 42 125 CD_AB42_5 CB_AB42_14 1 2.352297e-03 9.020477e-06 ; 3.956303e-01 1.533539e-01 9.220400e-03 1.867271e-03 0.000485 0.001190 True native_MD 7 42 126 - CD_AB42_5 CG_AB42_14 1 0.000000e+00 6.296356e-06 ; 3.284121e-01 -6.296356e-06 7.327142e-03 1.390055e-03 0.000485 0.000060 True native_MD 7 42 127 - CD_AB42_5 ND1_AB42_14 1 0.000000e+00 4.794342e-06 ; 3.210375e-01 -4.794342e-06 7.627697e-03 1.792388e-03 0.000485 0.000060 True native_MD 7 42 128 + CD_AB42_5 CG_AB42_14 1 0.000000e+00 6.296250e-06 ; 3.284116e-01 -6.296250e-06 7.327142e-03 1.390055e-03 0.000485 0.000060 True native_MD 7 42 127 + CD_AB42_5 ND1_AB42_14 1 0.000000e+00 4.794259e-06 ; 3.210370e-01 -4.794259e-06 7.627697e-03 1.792388e-03 0.000485 0.000060 True native_MD 7 42 128 CD_AB42_5 CD2_AB42_14 1 1.333996e-03 2.727765e-06 ; 3.562668e-01 1.630956e-01 9.024977e-03 2.675605e-03 0.000485 0.002332 True native_MD 7 42 129 CD_AB42_5 CE1_AB42_14 1 6.968550e-04 8.036372e-07 ; 3.238319e-01 1.510653e-01 1.058418e-02 4.497659e-03 0.000485 0.002332 True native_MD 7 42 130 - CD_AB42_5 NE2_AB42_14 1 0.000000e+00 4.795251e-06 ; 3.210426e-01 -4.795251e-06 9.477161e-03 3.830278e-03 0.000485 0.000060 True native_MD 7 42 131 + CD_AB42_5 NE2_AB42_14 1 0.000000e+00 4.795168e-06 ; 3.210421e-01 -4.795168e-06 9.477161e-03 3.830278e-03 0.000485 0.000060 True native_MD 7 42 131 CD_AB42_5 C_AB42_14 1 1.087951e-03 2.977249e-06 ; 3.739966e-01 9.939012e-02 5.348357e-03 2.731997e-04 0.000485 0.000060 True native_MD 7 42 132 CD_AB42_5 O_AB42_14 1 4.460812e-04 3.350699e-07 ; 3.014997e-01 1.484679e-01 5.077742e-03 3.475921e-04 0.000485 0.001191 True native_MD 7 42 133 CD_AB42_5 N_AB42_15 1 1.516374e-03 4.457569e-06 ; 3.784850e-01 1.289599e-01 2.832253e-03 5.866758e-05 0.000485 0.000060 True native_MD 7 42 134 @@ -11838,7 +11838,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CD_AB42_5 CG_AB42_15 1 2.883627e-03 1.130240e-05 ; 3.970744e-01 1.839278e-01 1.734085e-02 1.406597e-03 0.000485 0.001190 True native_MD 7 42 138 CD_AB42_5 CD_AB42_15 1 6.891207e-04 1.541966e-06 ; 3.616568e-01 7.699379e-02 1.959900e-02 1.956912e-03 0.000485 0.000060 True native_MD 7 42 139 CD_AB42_5 OE1_AB42_15 1 3.874765e-04 2.147163e-07 ; 2.865959e-01 1.748098e-01 1.746913e-02 1.862060e-03 0.000485 0.001191 True native_MD 7 42 140 - CD_AB42_5 NE2_AB42_15 1 0.000000e+00 6.224274e-06 ; 3.280971e-01 -6.224274e-06 1.939857e-02 2.538367e-03 0.000485 0.000060 True native_MD 7 42 141 + CD_AB42_5 NE2_AB42_15 1 0.000000e+00 6.224239e-06 ; 3.280969e-01 -6.224239e-06 1.939857e-02 2.538367e-03 0.000485 0.000060 True native_MD 7 42 141 CD_AB42_5 C_AB42_15 1 1.119199e-03 3.530280e-06 ; 3.829573e-01 8.870444e-02 5.022317e-03 3.532174e-04 0.000485 0.000060 True native_MD 7 42 142 CD_AB42_5 O_AB42_15 1 3.884732e-04 2.570383e-07 ; 2.951931e-01 1.467791e-01 4.827503e-03 3.847256e-04 0.000485 0.001191 True native_MD 7 42 143 CD_AB42_5 N_AB42_16 1 1.767237e-03 6.741194e-06 ; 3.952820e-01 1.158225e-01 2.093345e-03 6.539350e-05 0.000485 0.000060 True native_MD 7 42 144 @@ -11847,8 +11847,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CD_AB42_5 CG_AB42_16 1 2.466892e-03 1.005361e-05 ; 3.996643e-01 1.513276e-01 5.531428e-03 1.027643e-03 0.000485 0.001190 True native_MD 7 42 148 CD_AB42_5 CD_AB42_16 1 2.265801e-03 8.372045e-06 ; 3.931892e-01 1.533035e-01 5.868375e-03 1.159966e-03 0.000485 0.001190 True native_MD 7 42 149 CD_AB42_5 CE_AB42_16 1 2.256134e-03 9.169750e-06 ; 3.994834e-01 1.387753e-01 5.563532e-03 1.742938e-03 0.000485 0.001190 True native_MD 7 42 150 - CD_AB42_5 NZ_AB42_16 1 0.000000e+00 3.671615e-06 ; 3.139784e-01 -3.671615e-06 2.326378e-03 1.111337e-03 0.000485 0.000060 True native_MD 7 42 151 - CD_AB42_5 C_AB42_16 1 0.000000e+00 6.321587e-06 ; 3.285215e-01 -6.321587e-06 2.243388e-03 2.897119e-04 0.000485 0.000060 True native_MD 7 42 152 + CD_AB42_5 NZ_AB42_16 1 0.000000e+00 3.671567e-06 ; 3.139780e-01 -3.671567e-06 2.326378e-03 1.111337e-03 0.000485 0.000060 True native_MD 7 42 151 + CD_AB42_5 C_AB42_16 1 0.000000e+00 6.321480e-06 ; 3.285211e-01 -6.321480e-06 2.243388e-03 2.897119e-04 0.000485 0.000060 True native_MD 7 42 152 CD_AB42_5 O_AB42_16 1 4.262891e-04 3.993928e-07 ; 3.128115e-01 1.137492e-01 1.796567e-03 3.552779e-04 0.000485 0.001191 True native_MD 7 42 153 CD_AB42_5 N_AB42_17 1 1.682825e-03 6.247702e-06 ; 3.935019e-01 1.133177e-01 1.773518e-03 4.996455e-05 0.000485 0.000060 True native_MD 7 42 154 CD_AB42_5 CA_AB42_17 1 4.562033e-03 3.253446e-05 ; 4.387302e-01 1.599239e-01 7.154191e-03 3.369956e-04 0.000485 0.001021 True native_MD 7 42 156 @@ -11863,7 +11863,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CD_AB42_5 CB_AB42_18 1 2.683662e-03 1.211890e-05 ; 4.065581e-01 1.485704e-01 7.202728e-03 1.443737e-03 0.000485 0.001021 True native_MD 7 42 166 CD_AB42_5 CG1_AB42_18 1 1.731244e-03 5.062597e-06 ; 3.781544e-01 1.480073e-01 5.008234e-03 1.206292e-03 0.000485 0.002332 True native_MD 7 42 167 CD_AB42_5 CG2_AB42_18 1 1.594379e-03 4.157321e-06 ; 3.709970e-01 1.528655e-01 5.791958e-03 1.014168e-03 0.000485 0.002332 True native_MD 7 42 168 - CD_AB42_5 C_AB42_18 1 0.000000e+00 6.319448e-06 ; 3.285123e-01 -6.319448e-06 2.641293e-03 3.499986e-04 0.000485 0.000060 True native_MD 7 42 169 + CD_AB42_5 C_AB42_18 1 0.000000e+00 6.319342e-06 ; 3.285118e-01 -6.319342e-06 2.641293e-03 3.499986e-04 0.000485 0.000060 True native_MD 7 42 169 CD_AB42_5 O_AB42_18 1 3.011760e-04 1.861187e-07 ; 2.918513e-01 1.218402e-01 2.288758e-03 3.494069e-04 0.000485 0.001191 True native_MD 7 42 170 CD_AB42_5 N_AB42_19 1 1.716966e-03 7.866714e-06 ; 4.075416e-01 9.368494e-02 1.233086e-03 7.471391e-05 0.000485 0.000060 True native_MD 7 42 171 CD_AB42_5 CA_AB42_19 1 6.270147e-03 5.269867e-05 ; 4.509070e-01 1.865073e-01 1.585100e-02 6.413807e-04 0.000485 0.001021 True native_MD 7 42 173 @@ -11940,7 +11940,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CD_AB42_5 CG_AB42_28 1 3.266492e-03 1.496548e-05 ; 4.075381e-01 1.782431e-01 1.237796e-02 3.423653e-04 0.000485 0.001190 True native_MD 7 42 253 CD_AB42_5 CD_AB42_28 1 2.284495e-03 7.705629e-06 ; 3.872603e-01 1.693216e-01 9.477622e-03 6.236060e-04 0.000485 0.001190 True native_MD 7 42 254 CD_AB42_5 CE_AB42_28 1 2.596041e-03 1.066414e-05 ; 4.001926e-01 1.579928e-01 6.752475e-03 7.766816e-04 0.000485 0.001190 True native_MD 7 42 255 - CD_AB42_5 NZ_AB42_28 1 0.000000e+00 3.667985e-06 ; 3.139525e-01 -3.667985e-06 2.692304e-03 4.898071e-04 0.000485 0.000060 True native_MD 7 42 256 + CD_AB42_5 NZ_AB42_28 1 0.000000e+00 3.667937e-06 ; 3.139522e-01 -3.667937e-06 2.692304e-03 4.898071e-04 0.000485 0.000060 True native_MD 7 42 256 CD_AB42_5 C_AB42_28 1 1.313889e-03 3.554475e-06 ; 3.732812e-01 1.214177e-01 1.546478e-02 4.086194e-04 0.000485 0.000060 True native_MD 7 42 257 CD_AB42_5 O_AB42_28 1 6.536120e-04 5.991104e-07 ; 3.116720e-01 1.782679e-01 1.238718e-02 6.183827e-04 0.000485 0.001191 True native_MD 7 42 258 CD_AB42_5 N_AB42_29 1 1.482259e-03 3.631189e-06 ; 3.671590e-01 1.512653e-01 1.101819e-02 1.191697e-04 0.000485 0.000060 True native_MD 7 42 259 @@ -12031,11 +12031,11 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CD_AB42_5 C_AB42_42 1 1.343242e-03 3.167323e-06 ; 3.648293e-01 1.424152e-01 1.754116e-02 2.472495e-04 0.000485 0.000060 True native_MD 7 42 358 CD_AB42_5 O1_AB42_42 1 3.379534e-04 2.133500e-07 ; 2.928910e-01 1.338323e-01 8.252602e-03 1.503894e-04 0.000485 0.000060 True native_MD 7 42 359 CD_AB42_5 O2_AB42_42 1 3.379534e-04 2.133500e-07 ; 2.928910e-01 1.338323e-01 8.252602e-03 1.503894e-04 0.000485 0.000060 True native_MD 7 42 360 - NE_AB42_5 C_AB42_5 1 0.000000e+00 1.467087e-06 ; 2.908705e-01 -1.467087e-06 9.322356e-02 6.599687e-02 0.000485 0.000060 True native_MD 5 43 47 - NE_AB42_5 O_AB42_5 1 0.000000e+00 4.802655e-07 ; 2.650239e-01 -4.802655e-07 1.407533e-02 1.475741e-02 0.000485 0.000060 True native_MD 6 43 48 - NE_AB42_5 N_AB42_6 1 0.000000e+00 8.688197e-07 ; 2.784448e-01 -8.688197e-07 1.645837e-02 9.061678e-03 0.000485 0.000060 True native_MD 6 43 49 + NE_AB42_5 C_AB42_5 1 0.000000e+00 1.467066e-06 ; 2.908701e-01 -1.467066e-06 9.322356e-02 6.599687e-02 0.000485 0.000060 True native_MD 5 43 47 + NE_AB42_5 O_AB42_5 1 0.000000e+00 4.802650e-07 ; 2.650239e-01 -4.802650e-07 1.407533e-02 1.475741e-02 0.000485 0.000060 True native_MD 6 43 48 + NE_AB42_5 N_AB42_6 1 0.000000e+00 8.688106e-07 ; 2.784446e-01 -8.688106e-07 1.645837e-02 9.061678e-03 0.000485 0.000060 True native_MD 6 43 49 NE_AB42_5 CA_AB42_6 1 2.364783e-03 1.037234e-05 ; 4.045892e-01 1.347863e-01 2.054983e-02 8.159784e-03 0.000485 0.001339 True native_MD 7 43 51 - NE_AB42_5 CB_AB42_6 1 0.000000e+00 3.683378e-06 ; 3.140621e-01 -3.683378e-06 1.055104e-03 3.039961e-03 0.000485 0.000060 True native_MD 7 43 52 + NE_AB42_5 CB_AB42_6 1 0.000000e+00 3.683330e-06 ; 3.140618e-01 -3.683330e-06 1.055104e-03 3.039961e-03 0.000485 0.000060 True native_MD 7 43 52 NE_AB42_5 CG_AB42_6 1 1.766684e-03 6.710792e-06 ; 3.950049e-01 1.162744e-01 3.424022e-03 3.827705e-03 0.000485 0.002166 True native_MD 7 43 53 NE_AB42_5 ND1_AB42_6 1 2.941585e-04 2.135276e-07 ; 2.997865e-01 1.013092e-01 8.022289e-03 1.403482e-02 0.000485 0.002166 True native_MD 7 43 54 NE_AB42_5 CD2_AB42_6 1 8.946735e-04 1.504476e-06 ; 3.448419e-01 1.330099e-01 1.517507e-02 1.570763e-02 0.000485 0.003309 True native_MD 7 43 55 @@ -12045,7 +12045,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 NE_AB42_5 O_AB42_6 1 2.543933e-04 9.324871e-08 ; 2.675200e-01 1.735036e-01 2.081768e-02 4.198136e-03 0.000485 0.002166 True native_MD 7 43 59 NE_AB42_5 N_AB42_7 1 2.017750e-03 5.875770e-06 ; 3.778907e-01 1.732248e-01 1.266298e-02 2.575012e-03 0.000485 0.002166 True native_MD 7 43 60 NE_AB42_5 CA_AB42_7 1 3.154997e-03 1.459324e-05 ; 4.081866e-01 1.705243e-01 1.548422e-01 2.110010e-02 0.000485 0.001339 True native_MD 7 43 62 - NE_AB42_5 CB_AB42_7 1 0.000000e+00 2.992637e-06 ; 3.086736e-01 -2.992637e-06 2.199233e-01 3.400668e-02 0.000485 0.000060 True native_MD 7 43 63 + NE_AB42_5 CB_AB42_7 1 0.000000e+00 2.992598e-06 ; 3.086733e-01 -2.992598e-06 2.199233e-01 3.400668e-02 0.000485 0.000060 True native_MD 7 43 63 NE_AB42_5 CG_AB42_7 1 6.443147e-04 5.157667e-07 ; 3.047141e-01 2.012254e-01 2.322515e-01 2.043056e-02 0.000485 0.002166 True native_MD 7 43 64 NE_AB42_5 OD1_AB42_7 1 1.777208e-04 3.846656e-08 ; 2.450328e-01 2.052735e-01 1.974521e-01 1.538811e-02 0.000485 0.002166 True native_MD 7 43 65 NE_AB42_5 OD2_AB42_7 1 1.777208e-04 3.846656e-08 ; 2.450328e-01 2.052735e-01 1.974521e-01 1.538811e-02 0.000485 0.002166 True native_MD 7 43 66 @@ -12053,7 +12053,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 NE_AB42_5 O_AB42_7 1 1.718439e-04 4.801304e-08 ; 2.556844e-01 1.537620e-01 4.328168e-02 1.575808e-02 0.000485 0.002166 True native_MD 7 43 68 NE_AB42_5 N_AB42_8 1 1.497600e-03 2.936683e-06 ; 3.537884e-01 1.909302e-01 1.849981e-02 2.214618e-03 0.000485 0.002166 True native_MD 7 43 69 NE_AB42_5 CA_AB42_8 1 2.096497e-03 7.714724e-06 ; 3.929202e-01 1.424322e-01 5.280805e-02 1.668011e-02 0.000485 0.001339 True native_MD 7 43 71 - NE_AB42_5 CB_AB42_8 1 0.000000e+00 3.622253e-06 ; 3.136244e-01 -3.622253e-06 3.482088e-02 2.017786e-02 0.000485 0.000060 True native_MD 7 43 72 + NE_AB42_5 CB_AB42_8 1 0.000000e+00 3.622205e-06 ; 3.136241e-01 -3.622205e-06 3.482088e-02 2.017786e-02 0.000485 0.000060 True native_MD 7 43 72 NE_AB42_5 OG_AB42_8 1 2.571139e-04 1.188708e-07 ; 2.780727e-01 1.390324e-01 2.264681e-02 1.281272e-02 0.000485 0.002166 True native_MD 7 43 73 NE_AB42_5 C_AB42_8 1 1.406143e-03 2.624405e-06 ; 3.508867e-01 1.883510e-01 1.886584e-02 2.439620e-03 0.000485 0.002166 True native_MD 7 43 74 NE_AB42_5 O_AB42_8 1 1.845287e-04 4.959600e-08 ; 2.540371e-01 1.716410e-01 1.339667e-02 2.856468e-03 0.000485 0.002166 True native_MD 7 43 75 @@ -12063,7 +12063,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 NE_AB42_5 O_AB42_9 1 2.003745e-04 5.348430e-08 ; 2.537449e-01 1.876717e-01 1.641308e-02 1.354499e-03 0.000485 0.002166 True native_MD 7 43 80 NE_AB42_5 N_AB42_10 1 1.267006e-03 2.612355e-06 ; 3.567595e-01 1.536263e-01 5.925339e-03 1.023485e-04 0.000485 0.002166 True native_MD 7 43 81 NE_AB42_5 CA_AB42_10 1 2.330294e-03 7.301317e-06 ; 3.825296e-01 1.859346e-01 2.393756e-02 2.056805e-03 0.000485 0.001339 True native_MD 7 43 83 - NE_AB42_5 CB_AB42_10 1 0.000000e+00 3.574815e-06 ; 3.132801e-01 -3.574815e-06 3.203823e-02 4.490866e-03 0.000485 0.000060 True native_MD 7 43 84 + NE_AB42_5 CB_AB42_10 1 0.000000e+00 3.574768e-06 ; 3.132798e-01 -3.574768e-06 3.203823e-02 4.490866e-03 0.000485 0.000060 True native_MD 7 43 84 NE_AB42_5 CG_AB42_10 1 1.778632e-03 3.635758e-06 ; 3.562472e-01 2.175289e-01 4.010831e-02 2.558403e-03 0.000485 0.003309 True native_MD 7 43 85 NE_AB42_5 CD1_AB42_10 1 1.342230e-03 2.178002e-06 ; 3.427982e-01 2.067928e-01 4.386845e-02 4.991150e-03 0.000485 0.003309 True native_MD 7 43 86 NE_AB42_5 CD2_AB42_10 1 1.342230e-03 2.178002e-06 ; 3.427982e-01 2.067928e-01 4.386845e-02 4.991150e-03 0.000485 0.003309 True native_MD 7 43 87 @@ -12075,8 +12075,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 NE_AB42_5 O_AB42_10 1 3.026706e-04 1.449421e-07 ; 2.797075e-01 1.580105e-01 6.756058e-03 1.462762e-03 0.000485 0.002166 True native_MD 7 43 93 NE_AB42_5 N_AB42_11 1 9.351765e-04 1.613761e-06 ; 3.463306e-01 1.354840e-01 3.442899e-03 8.719299e-05 0.000485 0.002166 True native_MD 7 43 94 NE_AB42_5 CA_AB42_11 1 1.657339e-03 4.593613e-06 ; 3.747922e-01 1.494886e-01 9.791830e-03 2.504108e-03 0.000485 0.001339 True native_MD 7 43 96 - NE_AB42_5 CB_AB42_11 1 0.000000e+00 3.647279e-06 ; 3.138044e-01 -3.647279e-06 9.921583e-03 2.086298e-03 0.000485 0.000060 True native_MD 7 43 97 - NE_AB42_5 CG_AB42_11 1 0.000000e+00 3.619244e-06 ; 3.136027e-01 -3.619244e-06 1.888546e-02 3.423870e-03 0.000485 0.000060 True native_MD 7 43 98 + NE_AB42_5 CB_AB42_11 1 0.000000e+00 3.647231e-06 ; 3.138041e-01 -3.647231e-06 9.921583e-03 2.086298e-03 0.000485 0.000060 True native_MD 7 43 97 + NE_AB42_5 CG_AB42_11 1 0.000000e+00 3.619196e-06 ; 3.136024e-01 -3.619196e-06 1.888546e-02 3.423870e-03 0.000485 0.000060 True native_MD 7 43 98 NE_AB42_5 CD_AB42_11 1 5.217597e-04 3.896693e-07 ; 3.012111e-01 1.746566e-01 2.045931e-02 3.985834e-03 0.000485 0.002166 True native_MD 7 43 99 NE_AB42_5 OE1_AB42_11 1 1.590445e-04 3.534600e-08 ; 2.461143e-01 1.789111e-01 1.730134e-02 2.967747e-03 0.000485 0.002166 True native_MD 7 43 100 NE_AB42_5 OE2_AB42_11 1 1.590445e-04 3.534600e-08 ; 2.461143e-01 1.789111e-01 1.730134e-02 2.967747e-03 0.000485 0.002166 True native_MD 7 43 101 @@ -12085,13 +12085,13 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 NE_AB42_5 N_AB42_12 1 8.468306e-04 1.941253e-06 ; 3.631178e-01 9.235299e-02 9.470318e-04 1.542174e-04 0.000485 0.002166 True native_MD 7 43 104 NE_AB42_5 CA_AB42_12 1 1.977467e-03 5.672497e-06 ; 3.769446e-01 1.723392e-01 1.037334e-02 7.036779e-04 0.000485 0.001339 True native_MD 7 43 106 NE_AB42_5 CB_AB42_12 1 8.482441e-04 2.285511e-06 ; 3.730300e-01 7.870429e-02 1.710382e-02 1.622556e-03 0.000485 0.000060 True native_MD 7 43 107 - NE_AB42_5 CG1_AB42_12 1 0.000000e+00 2.712414e-06 ; 3.061550e-01 -2.712414e-06 1.283606e-02 1.712152e-03 0.000485 0.000060 True native_MD 7 43 108 - NE_AB42_5 CG2_AB42_12 1 0.000000e+00 2.711077e-06 ; 3.061424e-01 -2.711077e-06 1.405978e-02 2.448267e-03 0.000485 0.000060 True native_MD 7 43 109 + NE_AB42_5 CG1_AB42_12 1 0.000000e+00 2.712388e-06 ; 3.061547e-01 -2.712388e-06 1.283606e-02 1.712152e-03 0.000485 0.000060 True native_MD 7 43 108 + NE_AB42_5 CG2_AB42_12 1 0.000000e+00 2.711051e-06 ; 3.061422e-01 -2.711051e-06 1.405978e-02 2.448267e-03 0.000485 0.000060 True native_MD 7 43 109 NE_AB42_5 C_AB42_12 1 1.462636e-03 4.141994e-06 ; 3.761365e-01 1.291228e-01 2.846099e-03 2.953617e-04 0.000485 0.002166 True native_MD 7 43 110 NE_AB42_5 O_AB42_12 1 2.429033e-04 1.039965e-07 ; 2.745349e-01 1.418366e-01 4.163762e-03 6.093854e-04 0.000485 0.002166 True native_MD 7 43 111 NE_AB42_5 N_AB42_13 1 7.343644e-04 1.564108e-06 ; 3.586954e-01 8.619789e-02 7.877142e-04 9.996242e-05 0.000485 0.002166 True native_MD 7 43 112 NE_AB42_5 CA_AB42_13 1 1.639820e-03 4.654258e-06 ; 3.762782e-01 1.444381e-01 4.500876e-03 9.390578e-04 0.000485 0.001339 True native_MD 7 43 114 - NE_AB42_5 CB_AB42_13 1 0.000000e+00 3.666419e-06 ; 3.139413e-01 -3.666419e-06 3.778514e-03 1.149952e-03 0.000485 0.000060 True native_MD 7 43 115 + NE_AB42_5 CB_AB42_13 1 0.000000e+00 3.666371e-06 ; 3.139410e-01 -3.666371e-06 3.778514e-03 1.149952e-03 0.000485 0.000060 True native_MD 7 43 115 NE_AB42_5 CG_AB42_13 1 9.465998e-04 1.695780e-06 ; 3.484982e-01 1.321001e-01 3.111320e-03 7.480620e-04 0.000485 0.002166 True native_MD 7 43 116 NE_AB42_5 ND1_AB42_13 1 4.882996e-04 4.166412e-07 ; 3.079730e-01 1.430707e-01 4.320412e-03 1.384218e-03 0.000485 0.002166 True native_MD 7 43 117 NE_AB42_5 CD2_AB42_13 1 5.746432e-04 5.978545e-07 ; 3.183217e-01 1.380832e-01 3.721391e-03 1.681541e-03 0.000485 0.003309 True native_MD 7 43 118 @@ -12100,7 +12100,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 NE_AB42_5 C_AB42_13 1 1.146021e-03 3.102472e-06 ; 3.733240e-01 1.058320e-01 1.417579e-03 2.659643e-04 0.000485 0.002166 True native_MD 7 43 121 NE_AB42_5 O_AB42_13 1 2.814205e-04 1.562841e-07 ; 2.866992e-01 1.266883e-01 2.646121e-03 4.884571e-04 0.000485 0.002166 True native_MD 7 43 122 NE_AB42_5 CA_AB42_14 1 1.365989e-03 3.271213e-06 ; 3.657718e-01 1.426020e-01 4.260244e-03 3.716946e-04 0.000485 0.001339 True native_MD 7 43 125 - NE_AB42_5 CB_AB42_14 1 0.000000e+00 3.663907e-06 ; 3.139234e-01 -3.663907e-06 3.822110e-03 5.101144e-04 0.000485 0.000060 True native_MD 7 43 126 + NE_AB42_5 CB_AB42_14 1 0.000000e+00 3.663858e-06 ; 3.139231e-01 -3.663858e-06 3.822110e-03 5.101144e-04 0.000485 0.000060 True native_MD 7 43 126 NE_AB42_5 CG_AB42_14 1 9.347760e-04 1.625758e-06 ; 3.467832e-01 1.343690e-01 3.329912e-03 4.114343e-04 0.000485 0.002166 True native_MD 7 43 127 NE_AB42_5 ND1_AB42_14 1 4.577700e-04 3.544070e-07 ; 3.030232e-01 1.478197e-01 4.980204e-03 1.036749e-03 0.000485 0.002166 True native_MD 7 43 128 NE_AB42_5 CD2_AB42_14 1 7.449961e-04 9.375548e-07 ; 3.285795e-01 1.479965e-01 5.006615e-03 1.431368e-03 0.000485 0.003309 True native_MD 7 43 129 @@ -12133,9 +12133,9 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 NE_AB42_5 C_AB42_17 1 1.185596e-03 4.413409e-06 ; 3.936766e-01 7.962317e-02 6.470223e-04 5.003506e-05 0.000485 0.002166 True native_MD 7 43 161 NE_AB42_5 O_AB42_17 1 2.591701e-04 1.616030e-07 ; 2.922878e-01 1.039107e-01 1.338372e-03 9.303840e-05 0.000485 0.002166 True native_MD 7 43 162 NE_AB42_5 CA_AB42_18 1 1.561906e-03 5.266365e-06 ; 3.872363e-01 1.158081e-01 1.910744e-03 2.018250e-04 0.000485 0.001339 True native_MD 7 43 165 - NE_AB42_5 CB_AB42_18 1 0.000000e+00 7.552946e-06 ; 3.334300e-01 -7.552946e-06 3.409896e-03 4.991255e-04 0.000485 0.000060 True native_MD 7 43 166 - NE_AB42_5 CG1_AB42_18 1 0.000000e+00 2.737555e-06 ; 3.063905e-01 -2.737555e-06 2.535597e-03 5.773737e-04 0.000485 0.000060 True native_MD 7 43 167 - NE_AB42_5 CG2_AB42_18 1 0.000000e+00 2.736582e-06 ; 3.063814e-01 -2.736582e-06 2.841174e-03 5.281611e-04 0.000485 0.000060 True native_MD 7 43 168 + NE_AB42_5 CB_AB42_18 1 0.000000e+00 7.552934e-06 ; 3.334300e-01 -7.552934e-06 3.409896e-03 4.991255e-04 0.000485 0.000060 True native_MD 7 43 166 + NE_AB42_5 CG1_AB42_18 1 0.000000e+00 2.737529e-06 ; 3.063902e-01 -2.737529e-06 2.535597e-03 5.773737e-04 0.000485 0.000060 True native_MD 7 43 167 + NE_AB42_5 CG2_AB42_18 1 0.000000e+00 2.736556e-06 ; 3.063811e-01 -2.736556e-06 2.841174e-03 5.281611e-04 0.000485 0.000060 True native_MD 7 43 168 NE_AB42_5 C_AB42_18 1 5.512881e-04 9.542990e-07 ; 3.465115e-01 7.961827e-02 6.469275e-04 5.002632e-05 0.000485 0.002166 True native_MD 7 43 169 NE_AB42_5 O_AB42_18 1 1.330393e-04 4.185559e-08 ; 2.607928e-01 1.057175e-01 1.412726e-03 9.882252e-05 0.000485 0.002166 True native_MD 7 43 170 NE_AB42_5 CA_AB42_19 1 3.099142e-03 1.619727e-05 ; 4.165816e-01 1.482454e-01 5.044048e-03 1.242743e-04 0.000485 0.001339 True native_MD 7 43 173 @@ -12302,11 +12302,11 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 NE_AB42_5 C_AB42_42 1 4.830999e-04 3.324711e-07 ; 2.971343e-01 1.754931e-01 1.140010e-02 5.084611e-05 0.000485 0.002166 True native_MD 7 43 358 NE_AB42_5 O1_AB42_42 1 1.479942e-04 3.271271e-08 ; 2.458925e-01 1.673837e-01 8.943620e-03 5.048582e-05 0.000485 0.002166 True native_MD 7 43 359 NE_AB42_5 O2_AB42_42 1 1.479942e-04 3.271271e-08 ; 2.458925e-01 1.673837e-01 8.943620e-03 5.048582e-05 0.000485 0.002166 True native_MD 7 43 360 - CZ_AB42_5 C_AB42_5 1 0.000000e+00 2.569955e-06 ; 3.047816e-01 -2.569955e-06 1.762890e-02 6.617120e-03 0.000485 0.000060 True native_MD 6 44 47 + CZ_AB42_5 C_AB42_5 1 0.000000e+00 2.569910e-06 ; 3.047812e-01 -2.569910e-06 1.762890e-02 6.617120e-03 0.000485 0.000060 True native_MD 6 44 47 CZ_AB42_5 O_AB42_5 1 6.059795e-04 6.532800e-07 ; 3.202139e-01 1.405259e-01 8.125834e-03 4.396285e-03 0.000485 0.002166 True native_MD 7 44 48 CZ_AB42_5 N_AB42_6 1 1.133820e-03 1.846084e-06 ; 3.429924e-01 1.740912e-01 1.181784e-02 2.341608e-03 0.000485 0.002166 True native_MD 7 44 49 CZ_AB42_5 CA_AB42_6 1 2.058816e-03 6.817235e-06 ; 3.860692e-01 1.554414e-01 2.017910e-02 4.318364e-03 0.000485 0.001339 True native_MD 7 44 51 - CZ_AB42_5 CB_AB42_6 1 0.000000e+00 6.339474e-06 ; 3.285989e-01 -6.339474e-06 1.935681e-03 2.806096e-03 0.000485 0.000060 True native_MD 7 44 52 + CZ_AB42_5 CB_AB42_6 1 0.000000e+00 6.339368e-06 ; 3.285984e-01 -6.339368e-06 1.935681e-03 2.806096e-03 0.000485 0.000060 True native_MD 7 44 52 CZ_AB42_5 CG_AB42_6 1 2.496147e-03 1.271685e-05 ; 4.148122e-01 1.224900e-01 3.145511e-03 2.919472e-03 0.000485 0.002166 True native_MD 7 44 53 CZ_AB42_5 ND1_AB42_6 1 9.387272e-04 1.998154e-06 ; 3.586589e-01 1.102528e-01 8.570316e-03 1.147258e-02 0.000485 0.002166 True native_MD 7 44 54 CZ_AB42_5 CD2_AB42_6 1 1.121393e-03 2.453111e-06 ; 3.602964e-01 1.281559e-01 1.097893e-02 1.314072e-02 0.000485 0.003309 True native_MD 7 44 55 @@ -12316,7 +12316,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CZ_AB42_5 O_AB42_6 1 5.835826e-04 4.600021e-07 ; 3.039319e-01 1.850908e-01 2.416718e-02 3.445478e-03 0.000485 0.002166 True native_MD 7 44 59 CZ_AB42_5 N_AB42_7 1 1.524226e-03 3.324893e-06 ; 3.601262e-01 1.746871e-01 1.112843e-02 6.096748e-04 0.000485 0.002166 True native_MD 7 44 60 CZ_AB42_5 CA_AB42_7 1 3.667239e-03 2.032404e-05 ; 4.206735e-01 1.654278e-01 1.053012e-01 1.671324e-02 0.000485 0.001339 True native_MD 7 44 62 - CZ_AB42_5 CB_AB42_7 1 0.000000e+00 5.538352e-06 ; 3.249202e-01 -5.538352e-06 1.586701e-01 3.306005e-02 0.000485 0.000060 True native_MD 7 44 63 + CZ_AB42_5 CB_AB42_7 1 0.000000e+00 5.538259e-06 ; 3.249197e-01 -5.538259e-06 1.586701e-01 3.306005e-02 0.000485 0.000060 True native_MD 7 44 63 CZ_AB42_5 CG_AB42_7 1 1.573160e-03 3.079542e-06 ; 3.536868e-01 2.009093e-01 2.580546e-01 2.291585e-02 0.000485 0.002166 True native_MD 7 44 64 CZ_AB42_5 OD1_AB42_7 1 6.330392e-04 4.813314e-07 ; 3.021127e-01 2.081407e-01 2.092119e-01 1.496373e-02 0.000485 0.002166 True native_MD 7 44 65 CZ_AB42_5 OD2_AB42_7 1 6.330392e-04 4.813314e-07 ; 3.021127e-01 2.081407e-01 2.092119e-01 1.496373e-02 0.000485 0.002166 True native_MD 7 44 66 @@ -12324,7 +12324,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CZ_AB42_5 O_AB42_7 1 6.163028e-04 6.038384e-07 ; 3.151527e-01 1.572561e-01 3.818297e-02 1.252135e-02 0.000485 0.002166 True native_MD 7 44 68 CZ_AB42_5 N_AB42_8 1 2.314152e-03 6.902490e-06 ; 3.794044e-01 1.939626e-01 1.981300e-02 7.976987e-04 0.000485 0.002166 True native_MD 7 44 69 CZ_AB42_5 CA_AB42_8 1 2.276060e-03 8.964236e-06 ; 3.973943e-01 1.444754e-01 6.207531e-02 1.844411e-02 0.000485 0.001339 True native_MD 7 44 71 - CZ_AB42_5 CB_AB42_8 1 0.000000e+00 6.204147e-06 ; 3.280086e-01 -6.204147e-06 4.178639e-02 2.129141e-02 0.000485 0.000060 True native_MD 7 44 72 + CZ_AB42_5 CB_AB42_8 1 0.000000e+00 6.204042e-06 ; 3.280081e-01 -6.204042e-06 4.178639e-02 2.129141e-02 0.000485 0.000060 True native_MD 7 44 72 CZ_AB42_5 OG_AB42_8 1 6.228561e-04 6.721916e-07 ; 3.202710e-01 1.442854e-01 2.700107e-02 1.305381e-02 0.000485 0.002166 True native_MD 7 44 73 CZ_AB42_5 C_AB42_8 1 2.068329e-03 5.444785e-06 ; 3.715867e-01 1.964258e-01 2.891081e-02 2.935996e-03 0.000485 0.002166 True native_MD 7 44 74 CZ_AB42_5 O_AB42_8 1 6.747748e-04 6.271722e-07 ; 3.123954e-01 1.814976e-01 2.217004e-02 3.519566e-03 0.000485 0.002166 True native_MD 7 44 75 @@ -12334,7 +12334,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CZ_AB42_5 O_AB42_9 1 6.568389e-04 5.462132e-07 ; 3.066554e-01 1.974675e-01 2.364025e-02 2.327127e-03 0.000485 0.002166 True native_MD 7 44 80 CZ_AB42_5 N_AB42_10 1 1.767699e-03 4.699096e-06 ; 3.721925e-01 1.662426e-01 8.643377e-03 1.138196e-04 0.000485 0.002166 True native_MD 7 44 81 CZ_AB42_5 CA_AB42_10 1 2.819756e-03 1.096028e-05 ; 3.965230e-01 1.813600e-01 3.662323e-02 3.608438e-03 0.000485 0.001339 True native_MD 7 44 83 - CZ_AB42_5 CB_AB42_10 1 0.000000e+00 6.109897e-06 ; 3.275904e-01 -6.109897e-06 4.147569e-02 6.100637e-03 0.000485 0.000060 True native_MD 7 44 84 + CZ_AB42_5 CB_AB42_10 1 0.000000e+00 6.109794e-06 ; 3.275899e-01 -6.109794e-06 4.147569e-02 6.100637e-03 0.000485 0.000060 True native_MD 7 44 84 CZ_AB42_5 CG_AB42_10 1 1.520111e-03 2.644422e-06 ; 3.467975e-01 2.184539e-01 5.141611e-02 4.126538e-03 0.000485 0.003309 True native_MD 7 44 85 CZ_AB42_5 CD1_AB42_10 1 1.148312e-03 1.617897e-06 ; 3.348229e-01 2.037553e-01 5.614133e-02 6.995226e-03 0.000485 0.003309 True native_MD 7 44 86 CZ_AB42_5 CD2_AB42_10 1 1.148312e-03 1.617897e-06 ; 3.348229e-01 2.037553e-01 5.614133e-02 6.995226e-03 0.000485 0.003309 True native_MD 7 44 87 @@ -12346,8 +12346,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CZ_AB42_5 O_AB42_10 1 4.996346e-04 3.656793e-07 ; 3.001981e-01 1.706651e-01 9.866445e-03 1.706790e-03 0.000485 0.002166 True native_MD 7 44 93 CZ_AB42_5 N_AB42_11 1 1.064454e-03 1.852436e-06 ; 3.468189e-01 1.529153e-01 5.800595e-03 2.119611e-04 0.000485 0.002166 True native_MD 7 44 94 CZ_AB42_5 CA_AB42_11 1 2.216764e-03 8.019544e-06 ; 3.918066e-01 1.531896e-01 1.806203e-02 4.134761e-03 0.000485 0.001339 True native_MD 7 44 96 - CZ_AB42_5 CB_AB42_11 1 0.000000e+00 6.221366e-06 ; 3.280843e-01 -6.221366e-06 2.087601e-02 3.099602e-03 0.000485 0.000060 True native_MD 7 44 97 - CZ_AB42_5 CG_AB42_11 1 0.000000e+00 6.133513e-06 ; 3.276957e-01 -6.133513e-06 3.771723e-02 6.070651e-03 0.000485 0.000060 True native_MD 7 44 98 + CZ_AB42_5 CB_AB42_11 1 0.000000e+00 6.221262e-06 ; 3.280839e-01 -6.221262e-06 2.087601e-02 3.099602e-03 0.000485 0.000060 True native_MD 7 44 97 + CZ_AB42_5 CG_AB42_11 1 0.000000e+00 6.133410e-06 ; 3.276953e-01 -6.133410e-06 3.771723e-02 6.070651e-03 0.000485 0.000060 True native_MD 7 44 98 CZ_AB42_5 CD_AB42_11 1 1.434440e-03 2.643262e-06 ; 3.501410e-01 1.946097e-01 5.619772e-02 6.025831e-03 0.000485 0.002166 True native_MD 7 44 99 CZ_AB42_5 OE1_AB42_11 1 6.277907e-04 5.012976e-07 ; 3.045885e-01 1.965505e-01 4.473860e-02 4.526581e-03 0.000485 0.002166 True native_MD 7 44 100 CZ_AB42_5 OE2_AB42_11 1 6.277907e-04 5.012976e-07 ; 3.045885e-01 1.965505e-01 4.473860e-02 4.526581e-03 0.000485 0.002166 True native_MD 7 44 101 @@ -12355,14 +12355,14 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CZ_AB42_5 O_AB42_11 1 5.424389e-04 4.807757e-07 ; 3.099312e-01 1.530027e-01 5.815788e-03 1.566899e-03 0.000485 0.002166 True native_MD 7 44 103 CZ_AB42_5 N_AB42_12 1 1.089033e-03 2.319681e-06 ; 3.586999e-01 1.278185e-01 2.737142e-03 9.236622e-05 0.000485 0.002166 True native_MD 7 44 104 CZ_AB42_5 CA_AB42_12 1 2.546442e-03 8.626237e-06 ; 3.875383e-01 1.879257e-01 1.653832e-02 1.308239e-03 0.000485 0.001339 True native_MD 7 44 106 - CZ_AB42_5 CB_AB42_12 1 0.000000e+00 1.280729e-05 ; 3.484307e-01 -1.280729e-05 2.230331e-02 3.564432e-03 0.000485 0.000060 True native_MD 7 44 107 - CZ_AB42_5 CG1_AB42_12 1 0.000000e+00 4.661006e-06 ; 3.202838e-01 -4.661006e-06 1.729338e-02 3.516708e-03 0.000485 0.000060 True native_MD 7 44 108 - CZ_AB42_5 CG2_AB42_12 1 0.000000e+00 4.665390e-06 ; 3.203089e-01 -4.665390e-06 1.664052e-02 3.791604e-03 0.000485 0.000060 True native_MD 7 44 109 + CZ_AB42_5 CB_AB42_12 1 0.000000e+00 1.280722e-05 ; 3.484306e-01 -1.280722e-05 2.230331e-02 3.564432e-03 0.000485 0.000060 True native_MD 7 44 107 + CZ_AB42_5 CG1_AB42_12 1 0.000000e+00 4.660945e-06 ; 3.202834e-01 -4.660945e-06 1.729338e-02 3.516708e-03 0.000485 0.000060 True native_MD 7 44 108 + CZ_AB42_5 CG2_AB42_12 1 0.000000e+00 4.665329e-06 ; 3.203085e-01 -4.665329e-06 1.664052e-02 3.791604e-03 0.000485 0.000060 True native_MD 7 44 109 CZ_AB42_5 C_AB42_12 1 1.686473e-03 4.605522e-06 ; 3.738665e-01 1.543902e-01 6.062356e-03 4.466414e-04 0.000485 0.002166 True native_MD 7 44 110 CZ_AB42_5 O_AB42_12 1 4.924562e-04 3.895608e-07 ; 3.041127e-01 1.556324e-01 6.291956e-03 8.850605e-04 0.000485 0.002166 True native_MD 7 44 111 CZ_AB42_5 N_AB42_13 1 9.586833e-04 2.056744e-06 ; 3.591293e-01 1.117147e-01 1.690448e-03 8.587927e-05 0.000485 0.002166 True native_MD 7 44 112 CZ_AB42_5 CA_AB42_13 1 1.922009e-03 5.820702e-06 ; 3.803674e-01 1.586630e-01 9.135032e-03 1.775244e-03 0.000485 0.001339 True native_MD 7 44 114 - CZ_AB42_5 CB_AB42_13 1 0.000000e+00 6.297453e-06 ; 3.284168e-01 -6.297453e-06 8.171960e-03 2.408063e-03 0.000485 0.000060 True native_MD 7 44 115 + CZ_AB42_5 CB_AB42_13 1 0.000000e+00 6.297347e-06 ; 3.284164e-01 -6.297347e-06 8.171960e-03 2.408063e-03 0.000485 0.000060 True native_MD 7 44 115 CZ_AB42_5 CG_AB42_13 1 1.175650e-03 2.180979e-06 ; 3.505330e-01 1.584326e-01 6.841934e-03 1.915890e-03 0.000485 0.002166 True native_MD 7 44 116 CZ_AB42_5 ND1_AB42_13 1 7.385032e-04 8.979493e-07 ; 3.267006e-01 1.518424e-01 7.391887e-03 2.850324e-03 0.000485 0.002166 True native_MD 7 44 117 CZ_AB42_5 CD2_AB42_13 1 6.990779e-04 7.970883e-07 ; 3.232189e-01 1.532797e-01 5.864204e-03 3.201835e-03 0.000485 0.003309 True native_MD 7 44 118 @@ -12383,7 +12383,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CZ_AB42_5 N_AB42_15 1 1.143400e-03 2.649628e-06 ; 3.637735e-01 1.233535e-01 2.394794e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 44 134 CZ_AB42_5 CA_AB42_15 1 2.384487e-03 8.476414e-06 ; 3.906635e-01 1.676940e-01 9.027069e-03 6.079220e-04 0.000485 0.001339 True native_MD 7 44 136 CZ_AB42_5 CB_AB42_15 1 7.005384e-04 1.620728e-06 ; 3.636747e-01 7.569962e-02 7.542209e-03 7.828091e-04 0.000485 0.000060 True native_MD 7 44 137 - CZ_AB42_5 CG_AB42_15 1 0.000000e+00 6.284853e-06 ; 3.283620e-01 -6.284853e-06 9.055256e-03 1.302201e-03 0.000485 0.000060 True native_MD 7 44 138 + CZ_AB42_5 CG_AB42_15 1 0.000000e+00 6.284748e-06 ; 3.283616e-01 -6.284748e-06 9.055256e-03 1.302201e-03 0.000485 0.000060 True native_MD 7 44 138 CZ_AB42_5 CD_AB42_15 1 1.650948e-03 3.592883e-06 ; 3.599854e-01 1.896548e-01 1.741660e-02 1.448589e-03 0.000485 0.002166 True native_MD 7 44 139 CZ_AB42_5 OE1_AB42_15 1 7.157064e-04 6.768187e-07 ; 3.132970e-01 1.892071e-01 1.718482e-02 1.334788e-03 0.000485 0.002166 True native_MD 7 44 140 CZ_AB42_5 NE2_AB42_15 1 9.846743e-04 1.344579e-06 ; 3.330803e-01 1.802764e-01 1.371602e-02 2.258521e-03 0.000485 0.002166 True native_MD 7 44 141 @@ -12391,10 +12391,10 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CZ_AB42_5 O_AB42_15 1 5.078702e-04 4.344541e-07 ; 3.081048e-01 1.484231e-01 5.070947e-03 4.090358e-04 0.000485 0.002166 True native_MD 7 44 143 CZ_AB42_5 N_AB42_16 1 1.198304e-03 3.440438e-06 ; 3.769998e-01 1.043422e-01 1.355764e-03 4.999469e-05 0.000485 0.002166 True native_MD 7 44 144 CZ_AB42_5 CA_AB42_16 1 3.462761e-03 1.880249e-05 ; 4.192427e-01 1.594298e-01 7.049199e-03 9.731377e-04 0.000485 0.001339 True native_MD 7 44 146 - CZ_AB42_5 CB_AB42_16 1 0.000000e+00 6.310199e-06 ; 3.284722e-01 -6.310199e-06 4.432968e-03 6.813795e-04 0.000485 0.000060 True native_MD 7 44 147 - CZ_AB42_5 CG_AB42_16 1 0.000000e+00 6.305301e-06 ; 3.284509e-01 -6.305301e-06 5.285650e-03 7.608988e-04 0.000485 0.000060 True native_MD 7 44 148 - CZ_AB42_5 CD_AB42_16 1 0.000000e+00 6.303338e-06 ; 3.284424e-01 -6.303338e-06 5.664606e-03 8.298122e-04 0.000485 0.000060 True native_MD 7 44 149 - CZ_AB42_5 CE_AB42_16 1 0.000000e+00 6.302211e-06 ; 3.284375e-01 -6.302211e-06 5.997109e-03 9.844563e-04 0.000485 0.000060 True native_MD 7 44 150 + CZ_AB42_5 CB_AB42_16 1 0.000000e+00 6.310093e-06 ; 3.284717e-01 -6.310093e-06 4.432968e-03 6.813795e-04 0.000485 0.000060 True native_MD 7 44 147 + CZ_AB42_5 CG_AB42_16 1 0.000000e+00 6.305196e-06 ; 3.284505e-01 -6.305196e-06 5.285650e-03 7.608988e-04 0.000485 0.000060 True native_MD 7 44 148 + CZ_AB42_5 CD_AB42_16 1 0.000000e+00 6.303232e-06 ; 3.284419e-01 -6.303232e-06 5.664606e-03 8.298122e-04 0.000485 0.000060 True native_MD 7 44 149 + CZ_AB42_5 CE_AB42_16 1 0.000000e+00 6.302105e-06 ; 3.284370e-01 -6.302105e-06 5.997109e-03 9.844563e-04 0.000485 0.000060 True native_MD 7 44 150 CZ_AB42_5 NZ_AB42_16 1 1.256805e-03 3.030475e-06 ; 3.661906e-01 1.303062e-01 2.948693e-03 2.505439e-04 0.000485 0.002166 True native_MD 7 44 151 CZ_AB42_5 C_AB42_16 1 2.025251e-03 8.419824e-06 ; 4.009935e-01 1.217853e-01 2.285001e-03 3.028478e-04 0.000485 0.002166 True native_MD 7 44 152 CZ_AB42_5 O_AB42_16 1 4.259510e-04 3.934425e-07 ; 3.120711e-01 1.152864e-01 1.881146e-03 4.237885e-04 0.000485 0.002166 True native_MD 7 44 153 @@ -12407,9 +12407,9 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CZ_AB42_5 C_AB42_17 1 1.577722e-03 5.655026e-06 ; 3.912016e-01 1.100440e-01 1.608012e-03 1.209141e-04 0.000485 0.002166 True native_MD 7 44 161 CZ_AB42_5 O_AB42_17 1 4.876240e-04 5.250371e-07 ; 3.201480e-01 1.132192e-01 1.768300e-03 2.707463e-04 0.000485 0.002166 True native_MD 7 44 162 CZ_AB42_5 CA_AB42_18 1 2.062756e-03 7.894779e-06 ; 3.955020e-01 1.347397e-01 3.367058e-03 5.334580e-04 0.000485 0.001339 True native_MD 7 44 165 - CZ_AB42_5 CB_AB42_18 1 0.000000e+00 1.300649e-05 ; 3.488791e-01 -1.300649e-05 4.845202e-03 1.368702e-03 0.000485 0.000060 True native_MD 7 44 166 - CZ_AB42_5 CG1_AB42_18 1 0.000000e+00 4.713663e-06 ; 3.205838e-01 -4.713663e-06 3.869028e-03 1.234177e-03 0.000485 0.000060 True native_MD 7 44 167 - CZ_AB42_5 CG2_AB42_18 1 0.000000e+00 4.710477e-06 ; 3.205657e-01 -4.710477e-06 4.282751e-03 9.737231e-04 0.000485 0.000060 True native_MD 7 44 168 + CZ_AB42_5 CB_AB42_18 1 0.000000e+00 1.300642e-05 ; 3.488790e-01 -1.300642e-05 4.845202e-03 1.368702e-03 0.000485 0.000060 True native_MD 7 44 166 + CZ_AB42_5 CG1_AB42_18 1 0.000000e+00 4.713601e-06 ; 3.205834e-01 -4.713601e-06 3.869028e-03 1.234177e-03 0.000485 0.000060 True native_MD 7 44 167 + CZ_AB42_5 CG2_AB42_18 1 0.000000e+00 4.710415e-06 ; 3.205654e-01 -4.710415e-06 4.282751e-03 9.737231e-04 0.000485 0.000060 True native_MD 7 44 168 CZ_AB42_5 C_AB42_18 1 1.565448e-03 5.346727e-06 ; 3.880684e-01 1.145854e-01 1.842093e-03 9.995622e-05 0.000485 0.002166 True native_MD 7 44 169 CZ_AB42_5 O_AB42_18 1 4.063562e-04 3.597714e-07 ; 3.098751e-01 1.147432e-01 1.850815e-03 1.379842e-04 0.000485 0.002166 True native_MD 7 44 170 CZ_AB42_5 N_AB42_19 1 9.461867e-04 3.001754e-06 ; 3.833243e-01 7.456218e-02 5.560877e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 44 171 @@ -12436,7 +12436,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CZ_AB42_5 O_AB42_20 1 5.474212e-04 5.357225e-07 ; 3.150913e-01 1.398438e-01 3.922718e-03 2.663228e-04 0.000485 0.002166 True native_MD 7 44 194 CZ_AB42_5 N_AB42_21 1 1.249893e-03 3.507212e-06 ; 3.755619e-01 1.113585e-01 1.672527e-03 1.169888e-07 0.000485 0.002166 True native_MD 7 44 195 CZ_AB42_5 CA_AB42_21 1 1.714610e-03 4.301628e-06 ; 3.686191e-01 1.708591e-01 9.923902e-03 9.378108e-04 0.000485 0.001339 True native_MD 7 44 197 - CZ_AB42_5 CB_AB42_21 1 0.000000e+00 4.689061e-06 ; 3.204440e-01 -4.689061e-06 9.130136e-03 1.289720e-03 0.000485 0.000060 True native_MD 7 44 198 + CZ_AB42_5 CB_AB42_21 1 0.000000e+00 4.689000e-06 ; 3.204437e-01 -4.689000e-06 9.130136e-03 1.289720e-03 0.000485 0.000060 True native_MD 7 44 198 CZ_AB42_5 C_AB42_21 1 1.485321e-03 3.540952e-06 ; 3.654965e-01 1.557617e-01 6.316357e-03 6.053191e-07 0.000485 0.002166 True native_MD 7 44 199 CZ_AB42_5 O_AB42_21 1 4.806047e-04 3.731964e-07 ; 3.031737e-01 1.547315e-01 6.124589e-03 9.240037e-05 0.000485 0.002166 True native_MD 7 44 200 CZ_AB42_5 N_AB42_22 1 1.155333e-03 2.860676e-06 ; 3.678129e-01 1.166502e-01 1.959509e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 44 201 @@ -12584,7 +12584,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 NH1_AB42_5 O_AB42_5 1 2.042124e-04 9.191643e-08 ; 2.768334e-01 1.134256e-01 3.923056e-03 4.775984e-03 0.000485 0.002166 True native_MD 7 45 48 NH1_AB42_5 N_AB42_6 1 4.415823e-04 5.688916e-07 ; 3.298651e-01 8.569073e-02 3.699181e-03 2.847159e-04 0.000485 0.000060 True native_MD 7 45 49 NH1_AB42_5 CA_AB42_6 1 1.626675e-03 4.031789e-06 ; 3.678744e-01 1.640755e-01 1.129249e-02 1.866373e-03 0.000485 0.001339 True native_MD 7 45 51 - NH1_AB42_5 CB_AB42_6 1 0.000000e+00 3.675579e-06 ; 3.140066e-01 -3.675579e-06 2.195563e-03 2.058933e-03 0.000485 0.000060 True native_MD 7 45 52 + NH1_AB42_5 CB_AB42_6 1 0.000000e+00 3.675531e-06 ; 3.140063e-01 -3.675531e-06 2.195563e-03 2.058933e-03 0.000485 0.000060 True native_MD 7 45 52 NH1_AB42_5 CG_AB42_6 1 1.200588e-03 3.130517e-06 ; 3.709970e-01 1.151097e-01 1.871224e-03 1.896197e-03 0.000485 0.002166 True native_MD 7 45 53 NH1_AB42_5 ND1_AB42_6 1 4.131017e-04 3.574632e-07 ; 3.086946e-01 1.193500e-01 5.463464e-03 5.570641e-03 0.000485 0.002166 True native_MD 7 45 54 NH1_AB42_5 CD2_AB42_6 1 7.134526e-04 1.001843e-06 ; 3.346358e-01 1.270196e-01 5.077878e-03 6.288065e-03 0.000485 0.003309 True native_MD 7 45 55 @@ -12594,7 +12594,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 NH1_AB42_5 O_AB42_6 1 2.376388e-04 7.308778e-08 ; 2.598092e-01 1.931657e-01 2.207608e-02 2.471755e-03 0.000485 0.002166 True native_MD 7 45 59 NH1_AB42_5 N_AB42_7 1 5.688564e-04 6.899001e-07 ; 3.265607e-01 1.172625e-01 1.810002e-02 5.415739e-04 0.000485 0.000060 True native_MD 7 45 60 NH1_AB42_5 CA_AB42_7 1 1.226536e-03 2.181243e-06 ; 3.480732e-01 1.724235e-01 5.313160e-02 6.840144e-03 0.000485 0.001339 True native_MD 7 45 62 - NH1_AB42_5 CB_AB42_7 1 0.000000e+00 2.939673e-06 ; 3.082146e-01 -2.939673e-06 2.310971e-01 3.077283e-02 0.000485 0.000060 True native_MD 7 45 63 + NH1_AB42_5 CB_AB42_7 1 0.000000e+00 2.939635e-06 ; 3.082143e-01 -2.939635e-06 2.310971e-01 3.077283e-02 0.000485 0.000060 True native_MD 7 45 63 NH1_AB42_5 CG_AB42_7 1 5.666983e-04 4.098171e-07 ; 2.995985e-01 1.959087e-01 2.432305e-01 2.508648e-02 0.000485 0.002166 True native_MD 7 45 64 NH1_AB42_5 OD1_AB42_7 1 1.209544e-04 2.386931e-08 ; 2.412883e-01 1.532300e-01 2.339694e-02 8.655157e-03 0.000485 0.002166 True native_MD 7 45 65 NH1_AB42_5 OD2_AB42_7 1 1.209544e-04 2.386931e-08 ; 2.412883e-01 1.532300e-01 2.339694e-02 8.655157e-03 0.000485 0.002166 True native_MD 7 45 66 @@ -12602,7 +12602,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 NH1_AB42_5 O_AB42_7 1 1.798785e-04 5.466735e-08 ; 2.592934e-01 1.479689e-01 1.212432e-02 5.249859e-03 0.000485 0.002166 True native_MD 7 45 68 NH1_AB42_5 N_AB42_8 1 3.562286e-04 4.082248e-07 ; 3.234907e-01 7.771383e-02 1.235071e-02 1.206900e-03 0.000485 0.000060 True native_MD 7 45 69 NH1_AB42_5 CA_AB42_8 1 1.022163e-03 1.896299e-06 ; 3.505348e-01 1.377442e-01 3.025387e-02 1.099534e-02 0.000485 0.001339 True native_MD 7 45 71 - NH1_AB42_5 CB_AB42_8 1 0.000000e+00 3.612373e-06 ; 3.135531e-01 -3.612373e-06 3.496519e-02 1.763465e-02 0.000485 0.000060 True native_MD 7 45 72 + NH1_AB42_5 CB_AB42_8 1 0.000000e+00 3.612326e-06 ; 3.135527e-01 -3.612326e-06 3.496519e-02 1.763465e-02 0.000485 0.000060 True native_MD 7 45 72 NH1_AB42_5 OG_AB42_8 1 1.632570e-04 4.919694e-08 ; 2.589272e-01 1.354395e-01 1.532542e-02 9.654779e-03 0.000485 0.002166 True native_MD 7 45 73 NH1_AB42_5 C_AB42_8 1 9.177159e-04 1.151090e-06 ; 3.283977e-01 1.829142e-01 2.993427e-02 4.554869e-03 0.000485 0.002166 True native_MD 7 45 74 NH1_AB42_5 O_AB42_8 1 1.731287e-04 4.275675e-08 ; 2.504797e-01 1.752562e-01 2.426247e-02 4.642812e-03 0.000485 0.002166 True native_MD 7 45 75 @@ -12612,7 +12612,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 NH1_AB42_5 O_AB42_9 1 1.806337e-04 4.356946e-08 ; 2.494962e-01 1.872213e-01 1.885110e-02 2.521604e-03 0.000485 0.002166 True native_MD 7 45 80 NH1_AB42_5 N_AB42_10 1 5.579888e-04 7.039958e-07 ; 3.287185e-01 1.105658e-01 1.249841e-02 4.569490e-04 0.000485 0.000060 True native_MD 7 45 81 NH1_AB42_5 CA_AB42_10 1 1.537516e-03 3.476533e-06 ; 3.622884e-01 1.699937e-01 2.961522e-02 4.100210e-03 0.000485 0.001339 True native_MD 7 45 83 - NH1_AB42_5 CB_AB42_10 1 0.000000e+00 3.572395e-06 ; 3.132624e-01 -3.572395e-06 3.335334e-02 5.147505e-03 0.000485 0.000060 True native_MD 7 45 84 + NH1_AB42_5 CB_AB42_10 1 0.000000e+00 3.572348e-06 ; 3.132621e-01 -3.572348e-06 3.335334e-02 5.147505e-03 0.000485 0.000060 True native_MD 7 45 84 NH1_AB42_5 CG_AB42_10 1 9.495029e-04 1.092868e-06 ; 3.237268e-01 2.062361e-01 3.551407e-02 4.108507e-03 0.000485 0.003309 True native_MD 7 45 85 NH1_AB42_5 CD1_AB42_10 1 7.352315e-04 6.852486e-07 ; 3.125389e-01 1.972150e-01 4.088697e-02 6.196015e-03 0.000485 0.003309 True native_MD 7 45 86 NH1_AB42_5 CD2_AB42_10 1 7.352315e-04 6.852486e-07 ; 3.125389e-01 1.972150e-01 4.088697e-02 6.196015e-03 0.000485 0.003309 True native_MD 7 45 87 @@ -12624,7 +12624,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 NH1_AB42_5 O_AB42_10 1 1.574378e-04 3.838972e-08 ; 2.499488e-01 1.614147e-01 7.480603e-03 1.720937e-03 0.000485 0.002166 True native_MD 7 45 93 NH1_AB42_5 N_AB42_11 1 4.604554e-04 7.077747e-07 ; 3.397175e-01 7.488935e-02 6.333215e-03 6.734609e-04 0.000485 0.000060 True native_MD 7 45 94 NH1_AB42_5 CA_AB42_11 1 1.386100e-03 3.150985e-06 ; 3.626118e-01 1.524344e-01 1.786408e-02 4.182972e-03 0.000485 0.001339 True native_MD 7 45 96 - NH1_AB42_5 CB_AB42_11 1 0.000000e+00 3.604595e-06 ; 3.134968e-01 -3.604595e-06 2.310070e-02 3.654390e-03 0.000485 0.000060 True native_MD 7 45 97 + NH1_AB42_5 CB_AB42_11 1 0.000000e+00 3.604548e-06 ; 3.134964e-01 -3.604548e-06 2.310070e-02 3.654390e-03 0.000485 0.000060 True native_MD 7 45 97 NH1_AB42_5 CG_AB42_11 1 4.521376e-04 7.049228e-07 ; 3.405220e-01 7.250029e-02 4.648827e-02 5.309839e-03 0.000485 0.000060 True native_MD 7 45 98 NH1_AB42_5 CD_AB42_11 1 5.069166e-04 3.369963e-07 ; 2.954256e-01 1.906286e-01 4.906344e-02 5.926572e-03 0.000485 0.002166 True native_MD 7 45 99 NH1_AB42_5 OE1_AB42_11 1 1.574573e-04 3.159201e-08 ; 2.419556e-01 1.961953e-01 3.219502e-02 3.292296e-03 0.000485 0.002166 True native_MD 7 45 100 @@ -12633,14 +12633,14 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 NH1_AB42_5 O_AB42_11 1 1.371996e-04 3.156419e-08 ; 2.475371e-01 1.490909e-01 5.173305e-03 1.435448e-03 0.000485 0.002166 True native_MD 7 45 103 NH1_AB42_5 N_AB42_12 1 3.863764e-04 4.788075e-07 ; 3.277367e-01 7.794713e-02 3.103742e-03 3.011846e-04 0.000485 0.000060 True native_MD 7 45 104 NH1_AB42_5 CA_AB42_12 1 1.387145e-03 2.790412e-06 ; 3.552966e-01 1.723912e-01 1.152446e-02 1.485089e-03 0.000485 0.001339 True native_MD 7 45 106 - NH1_AB42_5 CB_AB42_12 1 0.000000e+00 7.451495e-06 ; 3.330545e-01 -7.451495e-06 2.002677e-02 3.723170e-03 0.000485 0.000060 True native_MD 7 45 107 - NH1_AB42_5 CG1_AB42_12 1 0.000000e+00 2.709825e-06 ; 3.061306e-01 -2.709825e-06 1.526359e-02 3.195721e-03 0.000485 0.000060 True native_MD 7 45 108 - NH1_AB42_5 CG2_AB42_12 1 0.000000e+00 2.712019e-06 ; 3.061513e-01 -2.712019e-06 1.510117e-02 3.833379e-03 0.000485 0.000060 True native_MD 7 45 109 + NH1_AB42_5 CB_AB42_12 1 0.000000e+00 7.451483e-06 ; 3.330544e-01 -7.451483e-06 2.002677e-02 3.723170e-03 0.000485 0.000060 True native_MD 7 45 107 + NH1_AB42_5 CG1_AB42_12 1 0.000000e+00 2.709799e-06 ; 3.061304e-01 -2.709799e-06 1.526359e-02 3.195721e-03 0.000485 0.000060 True native_MD 7 45 108 + NH1_AB42_5 CG2_AB42_12 1 0.000000e+00 2.711994e-06 ; 3.061510e-01 -2.711994e-06 1.510117e-02 3.833379e-03 0.000485 0.000060 True native_MD 7 45 109 NH1_AB42_5 C_AB42_12 1 9.119155e-04 1.333962e-06 ; 3.369236e-01 1.558496e-01 6.332991e-03 6.040466e-04 0.000485 0.002166 True native_MD 7 45 110 NH1_AB42_5 O_AB42_12 1 1.708728e-04 4.660337e-08 ; 2.546581e-01 1.566276e-01 6.482172e-03 1.037844e-03 0.000485 0.002166 True native_MD 7 45 111 NH1_AB42_5 N_AB42_13 1 5.398461e-04 7.943663e-07 ; 3.372551e-01 9.171897e-02 2.225080e-03 1.429897e-04 0.000485 0.000060 True native_MD 7 45 112 NH1_AB42_5 CA_AB42_13 1 1.143198e-03 2.009392e-06 ; 3.473953e-01 1.625990e-01 1.053640e-02 1.820077e-03 0.000485 0.001339 True native_MD 7 45 114 - NH1_AB42_5 CB_AB42_13 1 0.000000e+00 3.653383e-06 ; 3.138482e-01 -3.653383e-06 8.512547e-03 2.337824e-03 0.000485 0.000060 True native_MD 7 45 115 + NH1_AB42_5 CB_AB42_13 1 0.000000e+00 3.653335e-06 ; 3.138478e-01 -3.653335e-06 8.512547e-03 2.337824e-03 0.000485 0.000060 True native_MD 7 45 115 NH1_AB42_5 CG_AB42_13 1 4.877223e-04 3.955880e-07 ; 3.053832e-01 1.503288e-01 5.635582e-03 2.273773e-03 0.000485 0.002166 True native_MD 7 45 116 NH1_AB42_5 ND1_AB42_13 1 2.070862e-04 7.523718e-08 ; 2.671244e-01 1.424984e-01 6.030252e-03 3.075543e-03 0.000485 0.002166 True native_MD 7 45 117 NH1_AB42_5 CD2_AB42_13 1 4.553266e-04 3.548599e-07 ; 3.033581e-01 1.460593e-01 5.371667e-03 3.762627e-03 0.000485 0.003309 True native_MD 7 45 118 @@ -12660,8 +12660,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 NH1_AB42_5 O_AB42_14 1 1.247217e-04 2.613702e-08 ; 2.437169e-01 1.487880e-01 5.126620e-03 4.182323e-04 0.000485 0.002166 True native_MD 7 45 133 NH1_AB42_5 N_AB42_15 1 6.201014e-04 7.330727e-07 ; 3.251727e-01 1.311349e-01 3.022736e-03 5.003292e-05 0.000485 0.000060 True native_MD 7 45 134 NH1_AB42_5 CA_AB42_15 1 1.610775e-03 3.891420e-06 ; 3.663073e-01 1.666870e-01 8.759087e-03 7.362918e-04 0.000485 0.001339 True native_MD 7 45 136 - NH1_AB42_5 CB_AB42_15 1 0.000000e+00 3.651852e-06 ; 3.138372e-01 -3.651852e-06 7.623986e-03 1.032683e-03 0.000485 0.000060 True native_MD 7 45 137 - NH1_AB42_5 CG_AB42_15 1 0.000000e+00 3.642250e-06 ; 3.137684e-01 -3.642250e-06 1.105554e-02 1.852414e-03 0.000485 0.000060 True native_MD 7 45 138 + NH1_AB42_5 CB_AB42_15 1 0.000000e+00 3.651803e-06 ; 3.138369e-01 -3.651803e-06 7.623986e-03 1.032683e-03 0.000485 0.000060 True native_MD 7 45 137 + NH1_AB42_5 CG_AB42_15 1 0.000000e+00 3.642202e-06 ; 3.137680e-01 -3.642202e-06 1.105554e-02 1.852414e-03 0.000485 0.000060 True native_MD 7 45 138 NH1_AB42_5 CD_AB42_15 1 7.420990e-04 7.535919e-07 ; 3.170388e-01 1.826954e-01 1.414211e-02 2.128672e-03 0.000485 0.002166 True native_MD 7 45 139 NH1_AB42_5 OE1_AB42_15 1 1.497026e-04 3.121417e-08 ; 2.435120e-01 1.794928e-01 1.284964e-02 1.694140e-03 0.000485 0.002166 True native_MD 7 45 140 NH1_AB42_5 NE2_AB42_15 1 5.103160e-04 3.700321e-07 ; 2.997322e-01 1.759458e-01 1.400602e-02 2.625430e-03 0.000485 0.002166 True native_MD 7 45 141 @@ -12669,10 +12669,10 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 NH1_AB42_5 O_AB42_15 1 1.217032e-04 2.678458e-08 ; 2.457143e-01 1.382481e-01 3.739795e-03 5.440170e-04 0.000485 0.002166 True native_MD 7 45 143 NH1_AB42_5 N_AB42_16 1 7.579473e-04 1.429927e-06 ; 3.515166e-01 1.004394e-01 2.391585e-03 1.183881e-04 0.000485 0.000060 True native_MD 7 45 144 NH1_AB42_5 CA_AB42_16 1 1.784949e-03 5.152862e-06 ; 3.773437e-01 1.545763e-01 6.096221e-03 1.055346e-03 0.000485 0.001339 True native_MD 7 45 146 - NH1_AB42_5 CB_AB42_16 1 0.000000e+00 3.661711e-06 ; 3.139077e-01 -3.661711e-06 4.889534e-03 9.804083e-04 0.000485 0.000060 True native_MD 7 45 147 - NH1_AB42_5 CG_AB42_16 1 0.000000e+00 3.659929e-06 ; 3.138950e-01 -3.659929e-06 5.283384e-03 8.894896e-04 0.000485 0.000060 True native_MD 7 45 148 - NH1_AB42_5 CD_AB42_16 1 0.000000e+00 3.657503e-06 ; 3.138777e-01 -3.657503e-06 6.120160e-03 1.066344e-03 0.000485 0.000060 True native_MD 7 45 149 - NH1_AB42_5 CE_AB42_16 1 0.000000e+00 3.655281e-06 ; 3.138618e-01 -3.655281e-06 6.831540e-03 1.173124e-03 0.000485 0.000060 True native_MD 7 45 150 + NH1_AB42_5 CB_AB42_16 1 0.000000e+00 3.661663e-06 ; 3.139074e-01 -3.661663e-06 4.889534e-03 9.804083e-04 0.000485 0.000060 True native_MD 7 45 147 + NH1_AB42_5 CG_AB42_16 1 0.000000e+00 3.659881e-06 ; 3.138947e-01 -3.659881e-06 5.283384e-03 8.894896e-04 0.000485 0.000060 True native_MD 7 45 148 + NH1_AB42_5 CD_AB42_16 1 0.000000e+00 3.657455e-06 ; 3.138773e-01 -3.657455e-06 6.120160e-03 1.066344e-03 0.000485 0.000060 True native_MD 7 45 149 + NH1_AB42_5 CE_AB42_16 1 0.000000e+00 3.655233e-06 ; 3.138614e-01 -3.655233e-06 6.831540e-03 1.173124e-03 0.000485 0.000060 True native_MD 7 45 150 NH1_AB42_5 NZ_AB42_16 1 0.000000e+00 2.467788e-05 ; 3.680052e-01 -2.467788e-05 1.606403e-02 3.179104e-03 0.000485 0.000060 True native_MD 7 45 151 NH1_AB42_5 C_AB42_16 1 7.718640e-04 1.199066e-06 ; 3.403171e-01 1.242162e-01 2.457426e-03 3.569449e-04 0.000485 0.002166 True native_MD 7 45 152 NH1_AB42_5 O_AB42_16 1 1.122435e-04 2.691152e-08 ; 2.492467e-01 1.170373e-01 1.982343e-03 5.022106e-04 0.000485 0.002166 True native_MD 7 45 153 @@ -12681,14 +12681,14 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 NH1_AB42_5 CB_AB42_17 1 4.921800e-04 7.585652e-07 ; 3.398690e-01 7.983531e-02 4.466301e-03 4.095955e-04 0.000485 0.000060 True native_MD 7 45 157 NH1_AB42_5 CG_AB42_17 1 6.453860e-04 1.429568e-06 ; 3.610474e-01 7.284072e-02 8.565114e-03 9.683819e-04 0.000485 0.000060 True native_MD 7 45 158 NH1_AB42_5 CD1_AB42_17 1 3.951954e-04 5.541166e-07 ; 3.345530e-01 7.046325e-02 7.845987e-03 9.524897e-04 0.000485 0.000060 True native_MD 7 45 159 - NH1_AB42_5 CD2_AB42_17 1 0.000000e+00 2.726021e-06 ; 3.062827e-01 -2.726021e-06 7.400432e-03 1.237300e-03 0.000485 0.000060 True native_MD 7 45 160 + NH1_AB42_5 CD2_AB42_17 1 0.000000e+00 2.725995e-06 ; 3.062824e-01 -2.725995e-06 7.400432e-03 1.237300e-03 0.000485 0.000060 True native_MD 7 45 160 NH1_AB42_5 C_AB42_17 1 3.179128e-04 2.917485e-07 ; 3.117335e-01 8.660587e-02 7.973905e-04 3.050118e-04 0.000485 0.002166 True native_MD 7 45 161 NH1_AB42_5 O_AB42_17 1 9.009734e-05 2.218024e-08 ; 2.503470e-01 9.149507e-02 9.230271e-04 4.711282e-04 0.000485 0.002166 True native_MD 7 45 162 NH1_AB42_5 N_AB42_18 1 5.474924e-04 7.785018e-07 ; 3.353361e-01 9.625794e-02 1.064427e-03 4.454510e-07 0.000485 0.000060 True native_MD 7 45 163 NH1_AB42_5 CA_AB42_18 1 1.562198e-03 4.369337e-06 ; 3.753588e-01 1.396357e-01 3.898360e-03 5.290403e-04 0.000485 0.001339 True native_MD 7 45 165 - NH1_AB42_5 CB_AB42_18 1 0.000000e+00 7.546702e-06 ; 3.334070e-01 -7.546702e-06 5.009187e-03 1.274123e-03 0.000485 0.000060 True native_MD 7 45 166 - NH1_AB42_5 CG1_AB42_18 1 0.000000e+00 2.736176e-06 ; 3.063776e-01 -2.736176e-06 3.722161e-03 1.261169e-03 0.000485 0.000060 True native_MD 7 45 167 - NH1_AB42_5 CG2_AB42_18 1 0.000000e+00 2.734366e-06 ; 3.063607e-01 -2.734366e-06 3.994066e-03 8.734032e-04 0.000485 0.000060 True native_MD 7 45 168 + NH1_AB42_5 CB_AB42_18 1 0.000000e+00 7.546690e-06 ; 3.334070e-01 -7.546690e-06 5.009187e-03 1.274123e-03 0.000485 0.000060 True native_MD 7 45 166 + NH1_AB42_5 CG1_AB42_18 1 0.000000e+00 2.736150e-06 ; 3.063774e-01 -2.736150e-06 3.722161e-03 1.261169e-03 0.000485 0.000060 True native_MD 7 45 167 + NH1_AB42_5 CG2_AB42_18 1 0.000000e+00 2.734341e-06 ; 3.063605e-01 -2.734341e-06 3.994066e-03 8.734032e-04 0.000485 0.000060 True native_MD 7 45 168 NH1_AB42_5 C_AB42_18 1 4.617788e-04 5.438011e-07 ; 3.249633e-01 9.803201e-02 1.122465e-03 2.055942e-04 0.000485 0.002166 True native_MD 7 45 169 NH1_AB42_5 O_AB42_18 1 8.372213e-05 1.588023e-08 ; 2.397008e-01 1.103479e-01 1.622698e-03 4.894643e-04 0.000485 0.002166 True native_MD 7 45 170 NH1_AB42_5 N_AB42_19 1 6.201117e-04 9.400483e-07 ; 3.389326e-01 1.022656e-01 1.274078e-03 0.000000e+00 0.000485 0.000060 True native_MD 7 45 171 @@ -12715,7 +12715,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 NH1_AB42_5 O_AB42_20 1 1.280290e-04 3.154791e-08 ; 2.503862e-01 1.298931e-01 2.912466e-03 3.838285e-04 0.000485 0.002166 True native_MD 7 45 194 NH1_AB42_5 N_AB42_21 1 4.051111e-04 4.305506e-07 ; 3.194540e-01 9.529367e-02 1.697575e-03 9.802321e-05 0.000485 0.000060 True native_MD 7 45 195 NH1_AB42_5 CA_AB42_21 1 1.532285e-03 3.381908e-06 ; 3.608309e-01 1.735630e-01 1.076028e-02 1.128881e-03 0.000485 0.001339 True native_MD 7 45 197 - NH1_AB42_5 CB_AB42_21 1 0.000000e+00 2.720604e-06 ; 3.062319e-01 -2.720604e-06 9.339171e-03 1.201045e-03 0.000485 0.000060 True native_MD 7 45 198 + NH1_AB42_5 CB_AB42_21 1 0.000000e+00 2.720578e-06 ; 3.062317e-01 -2.720578e-06 9.339171e-03 1.201045e-03 0.000485 0.000060 True native_MD 7 45 198 NH1_AB42_5 C_AB42_21 1 8.650861e-04 1.222454e-06 ; 3.349877e-01 1.530474e-01 5.823579e-03 1.568108e-04 0.000485 0.002166 True native_MD 7 45 199 NH1_AB42_5 O_AB42_21 1 1.272451e-04 2.681238e-08 ; 2.439397e-01 1.509686e-01 5.472329e-03 2.953504e-04 0.000485 0.002166 True native_MD 7 45 200 NH1_AB42_5 N_AB42_22 1 6.772940e-04 9.829056e-07 ; 3.364773e-01 1.166763e-01 2.299406e-03 7.001853e-05 0.000485 0.000060 True native_MD 7 45 201 @@ -12808,7 +12808,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 NH1_AB42_5 O_AB42_34 1 1.754187e-04 4.245229e-08 ; 2.496343e-01 1.812135e-01 1.352867e-02 2.000460e-04 0.000485 0.002166 True native_MD 7 45 301 NH1_AB42_5 N_AB42_35 1 7.916027e-04 1.242514e-06 ; 3.409042e-01 1.260821e-01 2.598544e-03 7.583250e-06 0.000485 0.000060 True native_MD 7 45 302 NH1_AB42_5 CA_AB42_35 1 1.367926e-03 2.553116e-06 ; 3.508876e-01 1.832292e-01 1.436983e-02 3.454358e-04 0.000485 0.001339 True native_MD 7 45 304 - NH1_AB42_5 CB_AB42_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 305 + NH1_AB42_5 CB_AB42_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 305 NH1_AB42_5 CG_AB42_35 1 8.269189e-04 1.500315e-06 ; 3.492368e-01 1.139419e-01 1.044053e-02 3.450311e-04 0.000485 0.000060 True native_MD 7 45 306 NH1_AB42_5 SD_AB42_35 1 7.064831e-04 6.949114e-07 ; 3.153585e-01 1.795619e-01 1.287625e-02 5.484056e-04 0.000485 0.002166 True native_MD 7 45 307 NH1_AB42_5 CE_AB42_35 1 5.634717e-04 6.617689e-07 ; 3.248172e-01 1.199438e-01 1.487213e-02 4.106799e-04 0.000485 0.000060 True native_MD 7 45 308 @@ -12862,7 +12862,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 NH2_AB42_5 O_AB42_5 1 2.042124e-04 9.191643e-08 ; 2.768334e-01 1.134256e-01 3.923056e-03 4.775984e-03 0.000485 0.002166 True native_MD 7 46 48 NH2_AB42_5 N_AB42_6 1 4.415823e-04 5.688916e-07 ; 3.298651e-01 8.569073e-02 3.699181e-03 2.847159e-04 0.000485 0.000060 True native_MD 7 46 49 NH2_AB42_5 CA_AB42_6 1 1.626675e-03 4.031789e-06 ; 3.678744e-01 1.640755e-01 1.129249e-02 1.866373e-03 0.000485 0.001339 True native_MD 7 46 51 - NH2_AB42_5 CB_AB42_6 1 0.000000e+00 3.675579e-06 ; 3.140066e-01 -3.675579e-06 2.195563e-03 2.058933e-03 0.000485 0.000060 True native_MD 7 46 52 + NH2_AB42_5 CB_AB42_6 1 0.000000e+00 3.675531e-06 ; 3.140063e-01 -3.675531e-06 2.195563e-03 2.058933e-03 0.000485 0.000060 True native_MD 7 46 52 NH2_AB42_5 CG_AB42_6 1 1.200588e-03 3.130517e-06 ; 3.709970e-01 1.151097e-01 1.871224e-03 1.896197e-03 0.000485 0.002166 True native_MD 7 46 53 NH2_AB42_5 ND1_AB42_6 1 4.131017e-04 3.574632e-07 ; 3.086946e-01 1.193500e-01 5.463464e-03 5.570641e-03 0.000485 0.002166 True native_MD 7 46 54 NH2_AB42_5 CD2_AB42_6 1 7.134526e-04 1.001843e-06 ; 3.346358e-01 1.270196e-01 5.077878e-03 6.288065e-03 0.000485 0.003309 True native_MD 7 46 55 @@ -12872,7 +12872,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 NH2_AB42_5 O_AB42_6 1 2.376388e-04 7.308778e-08 ; 2.598092e-01 1.931657e-01 2.207608e-02 2.471755e-03 0.000485 0.002166 True native_MD 7 46 59 NH2_AB42_5 N_AB42_7 1 5.688564e-04 6.899001e-07 ; 3.265607e-01 1.172625e-01 1.810002e-02 5.415739e-04 0.000485 0.000060 True native_MD 7 46 60 NH2_AB42_5 CA_AB42_7 1 1.226536e-03 2.181243e-06 ; 3.480732e-01 1.724235e-01 5.313160e-02 6.840144e-03 0.000485 0.001339 True native_MD 7 46 62 - NH2_AB42_5 CB_AB42_7 1 0.000000e+00 2.939673e-06 ; 3.082146e-01 -2.939673e-06 2.310971e-01 3.077283e-02 0.000485 0.000060 True native_MD 7 46 63 + NH2_AB42_5 CB_AB42_7 1 0.000000e+00 2.939635e-06 ; 3.082143e-01 -2.939635e-06 2.310971e-01 3.077283e-02 0.000485 0.000060 True native_MD 7 46 63 NH2_AB42_5 CG_AB42_7 1 5.666983e-04 4.098171e-07 ; 2.995985e-01 1.959087e-01 2.432305e-01 2.508648e-02 0.000485 0.002166 True native_MD 7 46 64 NH2_AB42_5 OD1_AB42_7 1 1.209544e-04 2.386931e-08 ; 2.412883e-01 1.532300e-01 2.339694e-02 8.655157e-03 0.000485 0.002166 True native_MD 7 46 65 NH2_AB42_5 OD2_AB42_7 1 1.209544e-04 2.386931e-08 ; 2.412883e-01 1.532300e-01 2.339694e-02 8.655157e-03 0.000485 0.002166 True native_MD 7 46 66 @@ -12880,7 +12880,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 NH2_AB42_5 O_AB42_7 1 1.798785e-04 5.466735e-08 ; 2.592934e-01 1.479689e-01 1.212432e-02 5.249859e-03 0.000485 0.002166 True native_MD 7 46 68 NH2_AB42_5 N_AB42_8 1 3.562286e-04 4.082248e-07 ; 3.234907e-01 7.771383e-02 1.235071e-02 1.206900e-03 0.000485 0.000060 True native_MD 7 46 69 NH2_AB42_5 CA_AB42_8 1 1.022163e-03 1.896299e-06 ; 3.505348e-01 1.377442e-01 3.025387e-02 1.099534e-02 0.000485 0.001339 True native_MD 7 46 71 - NH2_AB42_5 CB_AB42_8 1 0.000000e+00 3.612373e-06 ; 3.135531e-01 -3.612373e-06 3.496519e-02 1.763465e-02 0.000485 0.000060 True native_MD 7 46 72 + NH2_AB42_5 CB_AB42_8 1 0.000000e+00 3.612326e-06 ; 3.135527e-01 -3.612326e-06 3.496519e-02 1.763465e-02 0.000485 0.000060 True native_MD 7 46 72 NH2_AB42_5 OG_AB42_8 1 1.632570e-04 4.919694e-08 ; 2.589272e-01 1.354395e-01 1.532542e-02 9.654779e-03 0.000485 0.002166 True native_MD 7 46 73 NH2_AB42_5 C_AB42_8 1 9.177159e-04 1.151090e-06 ; 3.283977e-01 1.829142e-01 2.993427e-02 4.554869e-03 0.000485 0.002166 True native_MD 7 46 74 NH2_AB42_5 O_AB42_8 1 1.731287e-04 4.275675e-08 ; 2.504797e-01 1.752562e-01 2.426247e-02 4.642812e-03 0.000485 0.002166 True native_MD 7 46 75 @@ -12890,7 +12890,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 NH2_AB42_5 O_AB42_9 1 1.806337e-04 4.356946e-08 ; 2.494962e-01 1.872213e-01 1.885110e-02 2.521604e-03 0.000485 0.002166 True native_MD 7 46 80 NH2_AB42_5 N_AB42_10 1 5.579888e-04 7.039958e-07 ; 3.287185e-01 1.105658e-01 1.249841e-02 4.569490e-04 0.000485 0.000060 True native_MD 7 46 81 NH2_AB42_5 CA_AB42_10 1 1.537516e-03 3.476533e-06 ; 3.622884e-01 1.699937e-01 2.961522e-02 4.100210e-03 0.000485 0.001339 True native_MD 7 46 83 - NH2_AB42_5 CB_AB42_10 1 0.000000e+00 3.572395e-06 ; 3.132624e-01 -3.572395e-06 3.335334e-02 5.147505e-03 0.000485 0.000060 True native_MD 7 46 84 + NH2_AB42_5 CB_AB42_10 1 0.000000e+00 3.572348e-06 ; 3.132621e-01 -3.572348e-06 3.335334e-02 5.147505e-03 0.000485 0.000060 True native_MD 7 46 84 NH2_AB42_5 CG_AB42_10 1 9.495029e-04 1.092868e-06 ; 3.237268e-01 2.062361e-01 3.551407e-02 4.108507e-03 0.000485 0.003309 True native_MD 7 46 85 NH2_AB42_5 CD1_AB42_10 1 7.352315e-04 6.852486e-07 ; 3.125389e-01 1.972150e-01 4.088697e-02 6.196015e-03 0.000485 0.003309 True native_MD 7 46 86 NH2_AB42_5 CD2_AB42_10 1 7.352315e-04 6.852486e-07 ; 3.125389e-01 1.972150e-01 4.088697e-02 6.196015e-03 0.000485 0.003309 True native_MD 7 46 87 @@ -12902,7 +12902,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 NH2_AB42_5 O_AB42_10 1 1.574378e-04 3.838972e-08 ; 2.499488e-01 1.614147e-01 7.480603e-03 1.720937e-03 0.000485 0.002166 True native_MD 7 46 93 NH2_AB42_5 N_AB42_11 1 4.604554e-04 7.077747e-07 ; 3.397175e-01 7.488935e-02 6.333215e-03 6.734609e-04 0.000485 0.000060 True native_MD 7 46 94 NH2_AB42_5 CA_AB42_11 1 1.386100e-03 3.150985e-06 ; 3.626118e-01 1.524344e-01 1.786408e-02 4.182972e-03 0.000485 0.001339 True native_MD 7 46 96 - NH2_AB42_5 CB_AB42_11 1 0.000000e+00 3.604595e-06 ; 3.134968e-01 -3.604595e-06 2.310070e-02 3.654390e-03 0.000485 0.000060 True native_MD 7 46 97 + NH2_AB42_5 CB_AB42_11 1 0.000000e+00 3.604548e-06 ; 3.134964e-01 -3.604548e-06 2.310070e-02 3.654390e-03 0.000485 0.000060 True native_MD 7 46 97 NH2_AB42_5 CG_AB42_11 1 4.521376e-04 7.049228e-07 ; 3.405220e-01 7.250029e-02 4.648827e-02 5.309839e-03 0.000485 0.000060 True native_MD 7 46 98 NH2_AB42_5 CD_AB42_11 1 5.069166e-04 3.369963e-07 ; 2.954256e-01 1.906286e-01 4.906344e-02 5.926572e-03 0.000485 0.002166 True native_MD 7 46 99 NH2_AB42_5 OE1_AB42_11 1 1.574573e-04 3.159201e-08 ; 2.419556e-01 1.961953e-01 3.219502e-02 3.292296e-03 0.000485 0.002166 True native_MD 7 46 100 @@ -12911,14 +12911,14 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 NH2_AB42_5 O_AB42_11 1 1.371996e-04 3.156419e-08 ; 2.475371e-01 1.490909e-01 5.173305e-03 1.435448e-03 0.000485 0.002166 True native_MD 7 46 103 NH2_AB42_5 N_AB42_12 1 3.863764e-04 4.788075e-07 ; 3.277367e-01 7.794713e-02 3.103742e-03 3.011846e-04 0.000485 0.000060 True native_MD 7 46 104 NH2_AB42_5 CA_AB42_12 1 1.387145e-03 2.790412e-06 ; 3.552966e-01 1.723912e-01 1.152446e-02 1.485089e-03 0.000485 0.001339 True native_MD 7 46 106 - NH2_AB42_5 CB_AB42_12 1 0.000000e+00 7.451495e-06 ; 3.330545e-01 -7.451495e-06 2.002677e-02 3.723170e-03 0.000485 0.000060 True native_MD 7 46 107 - NH2_AB42_5 CG1_AB42_12 1 0.000000e+00 2.709825e-06 ; 3.061306e-01 -2.709825e-06 1.526359e-02 3.195721e-03 0.000485 0.000060 True native_MD 7 46 108 - NH2_AB42_5 CG2_AB42_12 1 0.000000e+00 2.712019e-06 ; 3.061513e-01 -2.712019e-06 1.510117e-02 3.833379e-03 0.000485 0.000060 True native_MD 7 46 109 + NH2_AB42_5 CB_AB42_12 1 0.000000e+00 7.451483e-06 ; 3.330544e-01 -7.451483e-06 2.002677e-02 3.723170e-03 0.000485 0.000060 True native_MD 7 46 107 + NH2_AB42_5 CG1_AB42_12 1 0.000000e+00 2.709799e-06 ; 3.061304e-01 -2.709799e-06 1.526359e-02 3.195721e-03 0.000485 0.000060 True native_MD 7 46 108 + NH2_AB42_5 CG2_AB42_12 1 0.000000e+00 2.711994e-06 ; 3.061510e-01 -2.711994e-06 1.510117e-02 3.833379e-03 0.000485 0.000060 True native_MD 7 46 109 NH2_AB42_5 C_AB42_12 1 9.119155e-04 1.333962e-06 ; 3.369236e-01 1.558496e-01 6.332991e-03 6.040466e-04 0.000485 0.002166 True native_MD 7 46 110 NH2_AB42_5 O_AB42_12 1 1.708728e-04 4.660337e-08 ; 2.546581e-01 1.566276e-01 6.482172e-03 1.037844e-03 0.000485 0.002166 True native_MD 7 46 111 NH2_AB42_5 N_AB42_13 1 5.398461e-04 7.943663e-07 ; 3.372551e-01 9.171897e-02 2.225080e-03 1.429897e-04 0.000485 0.000060 True native_MD 7 46 112 NH2_AB42_5 CA_AB42_13 1 1.143198e-03 2.009392e-06 ; 3.473953e-01 1.625990e-01 1.053640e-02 1.820077e-03 0.000485 0.001339 True native_MD 7 46 114 - NH2_AB42_5 CB_AB42_13 1 0.000000e+00 3.653383e-06 ; 3.138482e-01 -3.653383e-06 8.512547e-03 2.337824e-03 0.000485 0.000060 True native_MD 7 46 115 + NH2_AB42_5 CB_AB42_13 1 0.000000e+00 3.653335e-06 ; 3.138478e-01 -3.653335e-06 8.512547e-03 2.337824e-03 0.000485 0.000060 True native_MD 7 46 115 NH2_AB42_5 CG_AB42_13 1 4.877223e-04 3.955880e-07 ; 3.053832e-01 1.503288e-01 5.635582e-03 2.273773e-03 0.000485 0.002166 True native_MD 7 46 116 NH2_AB42_5 ND1_AB42_13 1 2.070862e-04 7.523718e-08 ; 2.671244e-01 1.424984e-01 6.030252e-03 3.075543e-03 0.000485 0.002166 True native_MD 7 46 117 NH2_AB42_5 CD2_AB42_13 1 4.553266e-04 3.548599e-07 ; 3.033581e-01 1.460593e-01 5.371667e-03 3.762627e-03 0.000485 0.003309 True native_MD 7 46 118 @@ -12938,8 +12938,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 NH2_AB42_5 O_AB42_14 1 1.247217e-04 2.613702e-08 ; 2.437169e-01 1.487880e-01 5.126620e-03 4.182323e-04 0.000485 0.002166 True native_MD 7 46 133 NH2_AB42_5 N_AB42_15 1 6.201014e-04 7.330727e-07 ; 3.251727e-01 1.311349e-01 3.022736e-03 5.003292e-05 0.000485 0.000060 True native_MD 7 46 134 NH2_AB42_5 CA_AB42_15 1 1.610775e-03 3.891420e-06 ; 3.663073e-01 1.666870e-01 8.759087e-03 7.362918e-04 0.000485 0.001339 True native_MD 7 46 136 - NH2_AB42_5 CB_AB42_15 1 0.000000e+00 3.651852e-06 ; 3.138372e-01 -3.651852e-06 7.623986e-03 1.032683e-03 0.000485 0.000060 True native_MD 7 46 137 - NH2_AB42_5 CG_AB42_15 1 0.000000e+00 3.642250e-06 ; 3.137684e-01 -3.642250e-06 1.105554e-02 1.852414e-03 0.000485 0.000060 True native_MD 7 46 138 + NH2_AB42_5 CB_AB42_15 1 0.000000e+00 3.651803e-06 ; 3.138369e-01 -3.651803e-06 7.623986e-03 1.032683e-03 0.000485 0.000060 True native_MD 7 46 137 + NH2_AB42_5 CG_AB42_15 1 0.000000e+00 3.642202e-06 ; 3.137680e-01 -3.642202e-06 1.105554e-02 1.852414e-03 0.000485 0.000060 True native_MD 7 46 138 NH2_AB42_5 CD_AB42_15 1 7.420990e-04 7.535919e-07 ; 3.170388e-01 1.826954e-01 1.414211e-02 2.128672e-03 0.000485 0.002166 True native_MD 7 46 139 NH2_AB42_5 OE1_AB42_15 1 1.497026e-04 3.121417e-08 ; 2.435120e-01 1.794928e-01 1.284964e-02 1.694140e-03 0.000485 0.002166 True native_MD 7 46 140 NH2_AB42_5 NE2_AB42_15 1 5.103160e-04 3.700321e-07 ; 2.997322e-01 1.759458e-01 1.400602e-02 2.625430e-03 0.000485 0.002166 True native_MD 7 46 141 @@ -12947,10 +12947,10 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 NH2_AB42_5 O_AB42_15 1 1.217032e-04 2.678458e-08 ; 2.457143e-01 1.382481e-01 3.739795e-03 5.440170e-04 0.000485 0.002166 True native_MD 7 46 143 NH2_AB42_5 N_AB42_16 1 7.579473e-04 1.429927e-06 ; 3.515166e-01 1.004394e-01 2.391585e-03 1.183881e-04 0.000485 0.000060 True native_MD 7 46 144 NH2_AB42_5 CA_AB42_16 1 1.784949e-03 5.152862e-06 ; 3.773437e-01 1.545763e-01 6.096221e-03 1.055346e-03 0.000485 0.001339 True native_MD 7 46 146 - NH2_AB42_5 CB_AB42_16 1 0.000000e+00 3.661711e-06 ; 3.139077e-01 -3.661711e-06 4.889534e-03 9.804083e-04 0.000485 0.000060 True native_MD 7 46 147 - NH2_AB42_5 CG_AB42_16 1 0.000000e+00 3.659929e-06 ; 3.138950e-01 -3.659929e-06 5.283384e-03 8.894896e-04 0.000485 0.000060 True native_MD 7 46 148 - NH2_AB42_5 CD_AB42_16 1 0.000000e+00 3.657503e-06 ; 3.138777e-01 -3.657503e-06 6.120160e-03 1.066344e-03 0.000485 0.000060 True native_MD 7 46 149 - NH2_AB42_5 CE_AB42_16 1 0.000000e+00 3.655281e-06 ; 3.138618e-01 -3.655281e-06 6.831540e-03 1.173124e-03 0.000485 0.000060 True native_MD 7 46 150 + NH2_AB42_5 CB_AB42_16 1 0.000000e+00 3.661663e-06 ; 3.139074e-01 -3.661663e-06 4.889534e-03 9.804083e-04 0.000485 0.000060 True native_MD 7 46 147 + NH2_AB42_5 CG_AB42_16 1 0.000000e+00 3.659881e-06 ; 3.138947e-01 -3.659881e-06 5.283384e-03 8.894896e-04 0.000485 0.000060 True native_MD 7 46 148 + NH2_AB42_5 CD_AB42_16 1 0.000000e+00 3.657455e-06 ; 3.138773e-01 -3.657455e-06 6.120160e-03 1.066344e-03 0.000485 0.000060 True native_MD 7 46 149 + NH2_AB42_5 CE_AB42_16 1 0.000000e+00 3.655233e-06 ; 3.138614e-01 -3.655233e-06 6.831540e-03 1.173124e-03 0.000485 0.000060 True native_MD 7 46 150 NH2_AB42_5 NZ_AB42_16 1 0.000000e+00 2.467788e-05 ; 3.680052e-01 -2.467788e-05 1.606403e-02 3.179104e-03 0.000485 0.000060 True native_MD 7 46 151 NH2_AB42_5 C_AB42_16 1 7.718640e-04 1.199066e-06 ; 3.403171e-01 1.242162e-01 2.457426e-03 3.569449e-04 0.000485 0.002166 True native_MD 7 46 152 NH2_AB42_5 O_AB42_16 1 1.122435e-04 2.691152e-08 ; 2.492467e-01 1.170373e-01 1.982343e-03 5.022106e-04 0.000485 0.002166 True native_MD 7 46 153 @@ -12959,14 +12959,14 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 NH2_AB42_5 CB_AB42_17 1 4.921800e-04 7.585652e-07 ; 3.398690e-01 7.983531e-02 4.466301e-03 4.095955e-04 0.000485 0.000060 True native_MD 7 46 157 NH2_AB42_5 CG_AB42_17 1 6.453860e-04 1.429568e-06 ; 3.610474e-01 7.284072e-02 8.565114e-03 9.683819e-04 0.000485 0.000060 True native_MD 7 46 158 NH2_AB42_5 CD1_AB42_17 1 3.951954e-04 5.541166e-07 ; 3.345530e-01 7.046325e-02 7.845987e-03 9.524897e-04 0.000485 0.000060 True native_MD 7 46 159 - NH2_AB42_5 CD2_AB42_17 1 0.000000e+00 2.726021e-06 ; 3.062827e-01 -2.726021e-06 7.400432e-03 1.237300e-03 0.000485 0.000060 True native_MD 7 46 160 + NH2_AB42_5 CD2_AB42_17 1 0.000000e+00 2.725995e-06 ; 3.062824e-01 -2.725995e-06 7.400432e-03 1.237300e-03 0.000485 0.000060 True native_MD 7 46 160 NH2_AB42_5 C_AB42_17 1 3.179128e-04 2.917485e-07 ; 3.117335e-01 8.660587e-02 7.973905e-04 3.050118e-04 0.000485 0.002166 True native_MD 7 46 161 NH2_AB42_5 O_AB42_17 1 9.009734e-05 2.218024e-08 ; 2.503470e-01 9.149507e-02 9.230271e-04 4.711282e-04 0.000485 0.002166 True native_MD 7 46 162 NH2_AB42_5 N_AB42_18 1 5.474924e-04 7.785018e-07 ; 3.353361e-01 9.625794e-02 1.064427e-03 4.454510e-07 0.000485 0.000060 True native_MD 7 46 163 NH2_AB42_5 CA_AB42_18 1 1.562198e-03 4.369337e-06 ; 3.753588e-01 1.396357e-01 3.898360e-03 5.290403e-04 0.000485 0.001339 True native_MD 7 46 165 - NH2_AB42_5 CB_AB42_18 1 0.000000e+00 7.546702e-06 ; 3.334070e-01 -7.546702e-06 5.009187e-03 1.274123e-03 0.000485 0.000060 True native_MD 7 46 166 - NH2_AB42_5 CG1_AB42_18 1 0.000000e+00 2.736176e-06 ; 3.063776e-01 -2.736176e-06 3.722161e-03 1.261169e-03 0.000485 0.000060 True native_MD 7 46 167 - NH2_AB42_5 CG2_AB42_18 1 0.000000e+00 2.734366e-06 ; 3.063607e-01 -2.734366e-06 3.994066e-03 8.734032e-04 0.000485 0.000060 True native_MD 7 46 168 + NH2_AB42_5 CB_AB42_18 1 0.000000e+00 7.546690e-06 ; 3.334070e-01 -7.546690e-06 5.009187e-03 1.274123e-03 0.000485 0.000060 True native_MD 7 46 166 + NH2_AB42_5 CG1_AB42_18 1 0.000000e+00 2.736150e-06 ; 3.063774e-01 -2.736150e-06 3.722161e-03 1.261169e-03 0.000485 0.000060 True native_MD 7 46 167 + NH2_AB42_5 CG2_AB42_18 1 0.000000e+00 2.734341e-06 ; 3.063605e-01 -2.734341e-06 3.994066e-03 8.734032e-04 0.000485 0.000060 True native_MD 7 46 168 NH2_AB42_5 C_AB42_18 1 4.617788e-04 5.438011e-07 ; 3.249633e-01 9.803201e-02 1.122465e-03 2.055942e-04 0.000485 0.002166 True native_MD 7 46 169 NH2_AB42_5 O_AB42_18 1 8.372213e-05 1.588023e-08 ; 2.397008e-01 1.103479e-01 1.622698e-03 4.894643e-04 0.000485 0.002166 True native_MD 7 46 170 NH2_AB42_5 N_AB42_19 1 6.201117e-04 9.400483e-07 ; 3.389326e-01 1.022656e-01 1.274078e-03 0.000000e+00 0.000485 0.000060 True native_MD 7 46 171 @@ -12993,7 +12993,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 NH2_AB42_5 O_AB42_20 1 1.280290e-04 3.154791e-08 ; 2.503862e-01 1.298931e-01 2.912466e-03 3.838285e-04 0.000485 0.002166 True native_MD 7 46 194 NH2_AB42_5 N_AB42_21 1 4.051111e-04 4.305506e-07 ; 3.194540e-01 9.529367e-02 1.697575e-03 9.802321e-05 0.000485 0.000060 True native_MD 7 46 195 NH2_AB42_5 CA_AB42_21 1 1.532285e-03 3.381908e-06 ; 3.608309e-01 1.735630e-01 1.076028e-02 1.128881e-03 0.000485 0.001339 True native_MD 7 46 197 - NH2_AB42_5 CB_AB42_21 1 0.000000e+00 2.720604e-06 ; 3.062319e-01 -2.720604e-06 9.339171e-03 1.201045e-03 0.000485 0.000060 True native_MD 7 46 198 + NH2_AB42_5 CB_AB42_21 1 0.000000e+00 2.720578e-06 ; 3.062317e-01 -2.720578e-06 9.339171e-03 1.201045e-03 0.000485 0.000060 True native_MD 7 46 198 NH2_AB42_5 C_AB42_21 1 8.650861e-04 1.222454e-06 ; 3.349877e-01 1.530474e-01 5.823579e-03 1.568108e-04 0.000485 0.002166 True native_MD 7 46 199 NH2_AB42_5 O_AB42_21 1 1.272451e-04 2.681238e-08 ; 2.439397e-01 1.509686e-01 5.472329e-03 2.953504e-04 0.000485 0.002166 True native_MD 7 46 200 NH2_AB42_5 N_AB42_22 1 6.772940e-04 9.829056e-07 ; 3.364773e-01 1.166763e-01 2.299406e-03 7.001853e-05 0.000485 0.000060 True native_MD 7 46 201 @@ -13086,7 +13086,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 NH2_AB42_5 O_AB42_34 1 1.754187e-04 4.245229e-08 ; 2.496343e-01 1.812135e-01 1.352867e-02 2.000460e-04 0.000485 0.002166 True native_MD 7 46 301 NH2_AB42_5 N_AB42_35 1 7.916027e-04 1.242514e-06 ; 3.409042e-01 1.260821e-01 2.598544e-03 7.583250e-06 0.000485 0.000060 True native_MD 7 46 302 NH2_AB42_5 CA_AB42_35 1 1.367926e-03 2.553116e-06 ; 3.508876e-01 1.832292e-01 1.436983e-02 3.454358e-04 0.000485 0.001339 True native_MD 7 46 304 - NH2_AB42_5 CB_AB42_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 305 + NH2_AB42_5 CB_AB42_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 305 NH2_AB42_5 CG_AB42_35 1 8.269189e-04 1.500315e-06 ; 3.492368e-01 1.139419e-01 1.044053e-02 3.450311e-04 0.000485 0.000060 True native_MD 7 46 306 NH2_AB42_5 SD_AB42_35 1 7.064831e-04 6.949114e-07 ; 3.153585e-01 1.795619e-01 1.287625e-02 5.484056e-04 0.000485 0.002166 True native_MD 7 46 307 NH2_AB42_5 CE_AB42_35 1 5.634717e-04 6.617689e-07 ; 3.248172e-01 1.199438e-01 1.487213e-02 4.106799e-04 0.000485 0.000060 True native_MD 7 46 308 @@ -13135,24 +13135,24 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 NH2_AB42_5 C_AB42_42 1 4.833507e-04 2.733610e-07 ; 2.875714e-01 2.136624e-01 3.572580e-02 4.428747e-04 0.000485 0.002166 True native_MD 7 46 358 NH2_AB42_5 O1_AB42_42 1 1.719543e-04 3.428021e-08 ; 2.416973e-01 2.156367e-01 3.790025e-02 1.561668e-04 0.000485 0.002166 True native_MD 7 46 359 NH2_AB42_5 O2_AB42_42 1 1.719543e-04 3.428021e-08 ; 2.416973e-01 2.156367e-01 3.790025e-02 1.561668e-04 0.000485 0.002166 True native_MD 7 46 360 - C_AB42_5 CB_AB42_6 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 52 - C_AB42_5 CG_AB42_6 1 0.000000e+00 2.708461e-06 ; 3.061178e-01 -2.708461e-06 9.010935e-01 9.433827e-01 0.000485 0.000060 True native_MD 4 47 53 - C_AB42_5 ND1_AB42_6 1 0.000000e+00 2.100208e-06 ; 2.996978e-01 -2.100208e-06 4.629426e-01 5.244732e-01 0.000485 0.000060 True native_MD 5 47 54 - C_AB42_5 CD2_AB42_6 1 0.000000e+00 2.850821e-06 ; 3.074273e-01 -2.850821e-06 4.706492e-01 5.677222e-01 0.000485 0.000060 True native_MD 5 47 55 - C_AB42_5 CE1_AB42_6 1 0.000000e+00 2.701894e-06 ; 3.060559e-01 -2.701894e-06 1.515825e-01 1.913444e-01 0.000485 0.000060 True native_MD 6 47 56 - C_AB42_5 NE2_AB42_6 1 0.000000e+00 1.900013e-06 ; 2.972063e-01 -1.900013e-06 1.637933e-01 1.241373e-01 0.000485 0.000060 True native_MD 6 47 57 - C_AB42_5 O_AB42_6 1 0.000000e+00 7.566897e-07 ; 2.752569e-01 -7.566897e-07 9.007261e-01 8.157708e-01 0.000485 0.000060 True native_MD 4 47 59 - C_AB42_5 N_AB42_7 1 0.000000e+00 1.547492e-06 ; 2.921667e-01 -1.547492e-06 9.448109e-01 9.708982e-01 0.000485 0.000060 True native_MD 4 47 60 - C_AB42_5 CA_AB42_7 1 0.000000e+00 1.336226e-05 ; 3.496646e-01 -1.336226e-05 8.228224e-01 8.466042e-01 0.000485 0.000060 True native_MD 5 47 62 - C_AB42_5 CB_AB42_7 1 0.000000e+00 6.248377e-06 ; 3.282028e-01 -6.248377e-06 2.356165e-01 2.221045e-01 0.000485 0.000060 True native_MD 6 47 63 + C_AB42_5 CB_AB42_6 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 52 + C_AB42_5 CG_AB42_6 1 0.000000e+00 2.708413e-06 ; 3.061173e-01 -2.708413e-06 9.010935e-01 9.433827e-01 0.000485 0.000060 True native_MD 4 47 53 + C_AB42_5 ND1_AB42_6 1 0.000000e+00 2.100169e-06 ; 2.996973e-01 -2.100169e-06 4.629426e-01 5.244732e-01 0.000485 0.000060 True native_MD 5 47 54 + C_AB42_5 CD2_AB42_6 1 0.000000e+00 2.850770e-06 ; 3.074269e-01 -2.850770e-06 4.706492e-01 5.677222e-01 0.000485 0.000060 True native_MD 5 47 55 + C_AB42_5 CE1_AB42_6 1 0.000000e+00 2.701846e-06 ; 3.060554e-01 -2.701846e-06 1.515825e-01 1.913444e-01 0.000485 0.000060 True native_MD 6 47 56 + C_AB42_5 NE2_AB42_6 1 0.000000e+00 1.899978e-06 ; 2.972059e-01 -1.899978e-06 1.637933e-01 1.241373e-01 0.000485 0.000060 True native_MD 6 47 57 + C_AB42_5 O_AB42_6 1 0.000000e+00 7.566862e-07 ; 2.752568e-01 -7.566862e-07 9.007261e-01 8.157708e-01 0.000485 0.000060 True native_MD 4 47 59 + C_AB42_5 N_AB42_7 1 0.000000e+00 1.547470e-06 ; 2.921664e-01 -1.547470e-06 9.448109e-01 9.708982e-01 0.000485 0.000060 True native_MD 4 47 60 + C_AB42_5 CA_AB42_7 1 0.000000e+00 1.336219e-05 ; 3.496644e-01 -1.336219e-05 8.228224e-01 8.466042e-01 0.000485 0.000060 True native_MD 5 47 62 + C_AB42_5 CB_AB42_7 1 0.000000e+00 6.248272e-06 ; 3.282023e-01 -6.248272e-06 2.356165e-01 2.221045e-01 0.000485 0.000060 True native_MD 6 47 63 C_AB42_5 CG_AB42_7 1 2.550522e-03 1.083796e-05 ; 4.024573e-01 1.500550e-01 1.220716e-01 4.965639e-02 0.000485 0.002166 True native_MD 7 47 64 C_AB42_5 OD1_AB42_7 1 7.491030e-04 9.698980e-07 ; 3.301394e-01 1.446429e-01 4.864865e-02 2.326937e-02 0.000485 0.002166 True native_MD 7 47 65 C_AB42_5 OD2_AB42_7 1 7.491030e-04 9.698980e-07 ; 3.301394e-01 1.446429e-01 4.864865e-02 2.326937e-02 0.000485 0.002166 True native_MD 7 47 66 - C_AB42_5 C_AB42_7 1 0.000000e+00 2.688793e-06 ; 3.059319e-01 -2.688793e-06 1.144857e-01 1.492058e-01 0.000485 0.000060 True native_MD 6 47 67 + C_AB42_5 C_AB42_7 1 0.000000e+00 2.688745e-06 ; 3.059315e-01 -2.688745e-06 1.144857e-01 1.492058e-01 0.000485 0.000060 True native_MD 6 47 67 C_AB42_5 O_AB42_7 1 7.451628e-04 1.264661e-06 ; 3.453720e-01 1.097661e-01 6.811724e-02 9.252318e-02 0.000485 0.002166 True native_MD 7 47 68 C_AB42_5 N_AB42_8 1 7.187573e-04 1.281877e-06 ; 3.482389e-01 1.007531e-01 8.436730e-02 1.500727e-01 0.000485 0.002166 True native_MD 7 47 69 C_AB42_5 CA_AB42_8 1 1.923290e-03 1.083448e-05 ; 4.218201e-01 8.535352e-02 9.096433e-02 1.585614e-01 0.000485 0.001339 True native_MD 7 47 71 - C_AB42_5 CB_AB42_8 1 0.000000e+00 6.669495e-06 ; 3.299915e-01 -6.669495e-06 6.614367e-02 1.191174e-01 0.000485 0.000060 True native_MD 7 47 72 + C_AB42_5 CB_AB42_8 1 0.000000e+00 6.669383e-06 ; 3.299910e-01 -6.669383e-06 6.614367e-02 1.191174e-01 0.000485 0.000060 True native_MD 7 47 72 C_AB42_5 OG_AB42_8 1 6.261583e-04 1.047357e-06 ; 3.445364e-01 9.358660e-02 2.309413e-02 5.090647e-02 0.000485 0.002166 True native_MD 7 47 73 C_AB42_5 C_AB42_8 1 1.889370e-03 7.299175e-06 ; 3.961194e-01 1.222645e-01 2.307300e-02 2.155998e-02 0.000485 0.002166 True native_MD 7 47 74 C_AB42_5 O_AB42_8 1 6.110583e-04 7.442780e-07 ; 3.267950e-01 1.254210e-01 2.019628e-02 1.717132e-02 0.000485 0.002166 True native_MD 7 47 75 @@ -13162,7 +13162,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_5 O_AB42_9 1 7.607916e-04 1.348492e-06 ; 3.478808e-01 1.073057e-01 1.769542e-03 2.587204e-03 0.000485 0.002166 True native_MD 7 47 80 C_AB42_5 N_AB42_10 1 1.143545e-03 2.395564e-06 ; 3.577056e-01 1.364704e-01 6.343246e-03 3.874655e-03 0.000485 0.002166 True native_MD 7 47 81 C_AB42_5 CA_AB42_10 1 2.845327e-03 1.576976e-05 ; 4.206770e-01 1.283451e-01 1.991141e-02 9.586957e-03 0.000485 0.001339 True native_MD 7 47 83 - C_AB42_5 CB_AB42_10 1 0.000000e+00 6.198040e-06 ; 3.279816e-01 -6.198040e-06 3.450965e-02 1.305050e-02 0.000485 0.000060 True native_MD 7 47 84 + C_AB42_5 CB_AB42_10 1 0.000000e+00 6.197936e-06 ; 3.279812e-01 -6.197936e-06 3.450965e-02 1.305050e-02 0.000485 0.000060 True native_MD 7 47 84 C_AB42_5 CG_AB42_10 1 2.797956e-03 1.066396e-05 ; 3.952267e-01 1.835283e-01 1.624288e-02 3.707367e-03 0.000485 0.003309 True native_MD 7 47 85 C_AB42_5 CD1_AB42_10 1 1.394867e-03 3.100340e-06 ; 3.612541e-01 1.568903e-01 1.813369e-02 9.185313e-03 0.000485 0.003309 True native_MD 7 47 86 C_AB42_5 CD2_AB42_10 1 1.394867e-03 3.100340e-06 ; 3.612541e-01 1.568903e-01 1.813369e-02 9.185313e-03 0.000485 0.003309 True native_MD 7 47 87 @@ -13174,8 +13174,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_5 O_AB42_10 1 7.661147e-04 1.061709e-06 ; 3.339017e-01 1.382044e-01 7.144674e-03 4.143548e-03 0.000485 0.002166 True native_MD 7 47 93 C_AB42_5 N_AB42_11 1 1.584908e-03 4.531544e-06 ; 3.767388e-01 1.385805e-01 3.777181e-03 3.189074e-04 0.000485 0.002166 True native_MD 7 47 94 C_AB42_5 CA_AB42_11 1 3.689465e-03 2.086223e-05 ; 4.220846e-01 1.631196e-01 1.606306e-02 2.731841e-03 0.000485 0.001339 True native_MD 7 47 96 - C_AB42_5 CB_AB42_11 1 0.000000e+00 6.270061e-06 ; 3.282976e-01 -6.270061e-06 1.256895e-02 2.480402e-03 0.000485 0.000060 True native_MD 7 47 97 - C_AB42_5 CG_AB42_11 1 0.000000e+00 6.264730e-06 ; 3.282743e-01 -6.264730e-06 1.482399e-02 3.893852e-03 0.000485 0.000060 True native_MD 7 47 98 + C_AB42_5 CB_AB42_11 1 0.000000e+00 6.269955e-06 ; 3.282971e-01 -6.269955e-06 1.256895e-02 2.480402e-03 0.000485 0.000060 True native_MD 7 47 97 + C_AB42_5 CG_AB42_11 1 0.000000e+00 6.264625e-06 ; 3.282738e-01 -6.264625e-06 1.482399e-02 3.893852e-03 0.000485 0.000060 True native_MD 7 47 98 C_AB42_5 CD_AB42_11 1 2.334129e-03 8.521266e-06 ; 3.924008e-01 1.598400e-01 8.734189e-03 2.651002e-03 0.000485 0.002166 True native_MD 7 47 99 C_AB42_5 OE1_AB42_11 1 7.245477e-04 8.959468e-07 ; 3.276191e-01 1.464845e-01 4.785134e-03 1.428823e-03 0.000485 0.002166 True native_MD 7 47 100 C_AB42_5 OE2_AB42_11 1 7.245477e-04 8.959468e-07 ; 3.276191e-01 1.464845e-01 4.785134e-03 1.428823e-03 0.000485 0.002166 True native_MD 7 47 101 @@ -13183,14 +13183,14 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_5 O_AB42_11 1 7.459574e-04 1.361377e-06 ; 3.495780e-01 1.021856e-01 1.271030e-03 1.732994e-04 0.000485 0.002166 True native_MD 7 47 103 C_AB42_5 N_AB42_12 1 1.150476e-03 3.187615e-06 ; 3.747699e-01 1.038076e-01 1.334249e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 47 104 C_AB42_5 CA_AB42_12 1 4.294687e-03 3.080292e-05 ; 4.391471e-01 1.496964e-01 5.267894e-03 3.588039e-04 0.000485 0.001339 True native_MD 7 47 106 - C_AB42_5 CB_AB42_12 1 0.000000e+00 1.288519e-05 ; 3.486068e-01 -1.288519e-05 1.512891e-02 2.358445e-03 0.000485 0.000060 True native_MD 7 47 107 - C_AB42_5 CG1_AB42_12 1 0.000000e+00 4.674993e-06 ; 3.203638e-01 -4.674993e-06 1.351723e-02 2.700237e-03 0.000485 0.000060 True native_MD 7 47 108 - C_AB42_5 CG2_AB42_12 1 0.000000e+00 4.673045e-06 ; 3.203527e-01 -4.673045e-06 1.422733e-02 2.998162e-03 0.000485 0.000060 True native_MD 7 47 109 + C_AB42_5 CB_AB42_12 1 0.000000e+00 1.288512e-05 ; 3.486067e-01 -1.288512e-05 1.512891e-02 2.358445e-03 0.000485 0.000060 True native_MD 7 47 107 + C_AB42_5 CG1_AB42_12 1 0.000000e+00 4.674932e-06 ; 3.203634e-01 -4.674932e-06 1.351723e-02 2.700237e-03 0.000485 0.000060 True native_MD 7 47 108 + C_AB42_5 CG2_AB42_12 1 0.000000e+00 4.672984e-06 ; 3.203523e-01 -4.672984e-06 1.422733e-02 2.998162e-03 0.000485 0.000060 True native_MD 7 47 109 C_AB42_5 C_AB42_12 1 2.285156e-03 1.271572e-05 ; 4.209568e-01 1.026670e-01 1.289473e-03 5.001866e-05 0.000485 0.002166 True native_MD 7 47 110 C_AB42_5 O_AB42_12 1 4.309614e-04 4.479551e-07 ; 3.182727e-01 1.036531e-01 1.328092e-03 1.188082e-04 0.000485 0.002166 True native_MD 7 47 111 C_AB42_5 N_AB42_13 1 6.317587e-04 1.329608e-06 ; 3.579827e-01 7.504452e-02 5.641727e-04 4.993480e-05 0.000485 0.002166 True native_MD 7 47 112 C_AB42_5 CA_AB42_13 1 2.871675e-03 1.362575e-05 ; 4.099248e-01 1.513040e-01 5.527525e-03 7.528361e-04 0.000485 0.001339 True native_MD 7 47 114 - C_AB42_5 CB_AB42_13 1 0.000000e+00 6.312191e-06 ; 3.284808e-01 -6.312191e-06 4.636790e-03 1.199780e-03 0.000485 0.000060 True native_MD 7 47 115 + C_AB42_5 CB_AB42_13 1 0.000000e+00 6.312085e-06 ; 3.284804e-01 -6.312085e-06 4.636790e-03 1.199780e-03 0.000485 0.000060 True native_MD 7 47 115 C_AB42_5 CG_AB42_13 1 1.661797e-03 5.446168e-06 ; 3.854063e-01 1.267666e-01 2.652321e-03 7.206705e-04 0.000485 0.002166 True native_MD 7 47 116 C_AB42_5 ND1_AB42_13 1 1.443851e-03 3.849135e-06 ; 3.723689e-01 1.354010e-01 3.434353e-03 1.706304e-03 0.000485 0.002166 True native_MD 7 47 117 C_AB42_5 CD2_AB42_13 1 1.424619e-03 3.543213e-06 ; 3.680864e-01 1.431991e-01 4.337047e-03 1.738707e-03 0.000485 0.003309 True native_MD 7 47 118 @@ -13228,7 +13228,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_5 CB_AB42_17 1 1.342560e-03 2.953348e-06 ; 3.606313e-01 1.525783e-01 5.742398e-03 5.162653e-05 0.000485 0.000060 True native_MD 7 47 157 C_AB42_5 CG_AB42_17 1 1.315477e-03 4.797477e-06 ; 3.923331e-01 9.017657e-02 8.779804e-03 5.908674e-04 0.000485 0.000060 True native_MD 7 47 158 C_AB42_5 CD1_AB42_17 1 6.362623e-04 1.317162e-06 ; 3.569992e-01 7.683747e-02 7.931086e-03 7.956127e-04 0.000485 0.000060 True native_MD 7 47 159 - C_AB42_5 CD2_AB42_17 1 0.000000e+00 4.707344e-06 ; 3.205479e-01 -4.707344e-06 4.759948e-03 7.879911e-04 0.000485 0.000060 True native_MD 7 47 160 + C_AB42_5 CD2_AB42_17 1 0.000000e+00 4.707282e-06 ; 3.205476e-01 -4.707282e-06 4.759948e-03 7.879911e-04 0.000485 0.000060 True native_MD 7 47 160 C_AB42_5 C_AB42_17 1 1.774896e-03 8.244346e-06 ; 4.084735e-01 9.552776e-02 1.041420e-03 2.549976e-05 0.000485 0.002166 True native_MD 7 47 161 C_AB42_5 O_AB42_17 1 5.676752e-04 8.052853e-07 ; 3.352033e-01 1.000438e-01 1.192118e-03 4.996825e-05 0.000485 0.002166 True native_MD 7 47 162 C_AB42_5 N_AB42_18 1 8.727576e-04 2.313606e-06 ; 3.720197e-01 8.230723e-02 7.011374e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 47 163 @@ -13260,12 +13260,12 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_5 O_AB42_20 1 8.011434e-04 1.491193e-06 ; 3.507281e-01 1.076036e-01 1.494760e-03 1.517647e-04 0.000485 0.002166 True native_MD 7 47 194 C_AB42_5 N_AB42_21 1 1.317848e-03 3.207514e-06 ; 3.667616e-01 1.353636e-01 3.430514e-03 2.767512e-05 0.000485 0.002166 True native_MD 7 47 195 C_AB42_5 CA_AB42_21 1 4.076883e-03 2.686625e-05 ; 4.329919e-01 1.546641e-01 6.112247e-03 4.518806e-04 0.000485 0.001339 True native_MD 7 47 197 - C_AB42_5 CB_AB42_21 1 0.000000e+00 4.708826e-06 ; 3.205564e-01 -4.708826e-06 4.307501e-03 6.491655e-04 0.000485 0.000060 True native_MD 7 47 198 + C_AB42_5 CB_AB42_21 1 0.000000e+00 4.708764e-06 ; 3.205560e-01 -4.708764e-06 4.307501e-03 6.491655e-04 0.000485 0.000060 True native_MD 7 47 198 C_AB42_5 C_AB42_21 1 2.010067e-03 8.958501e-06 ; 4.056681e-01 1.127524e-01 1.743766e-03 4.856729e-05 0.000485 0.002166 True native_MD 7 47 199 C_AB42_5 O_AB42_21 1 6.014626e-04 7.343296e-07 ; 3.269242e-01 1.231590e-01 2.380896e-03 1.636943e-06 0.000485 0.002166 True native_MD 7 47 200 C_AB42_5 CA_AB42_22 1 3.724986e-03 4.462082e-05 ; 4.783387e-01 7.774128e-02 6.115909e-04 5.362915e-05 0.000485 0.001339 True native_MD 7 47 203 - C_AB42_5 CB_AB42_22 1 0.000000e+00 6.330289e-06 ; 3.285592e-01 -6.330289e-06 6.752148e-04 9.549958e-05 0.000485 0.000060 True native_MD 7 47 204 - C_AB42_5 CG_AB42_22 1 0.000000e+00 6.327267e-06 ; 3.285461e-01 -6.327267e-06 1.206484e-03 1.496425e-04 0.000485 0.000060 True native_MD 7 47 205 + C_AB42_5 CB_AB42_22 1 0.000000e+00 6.330183e-06 ; 3.285587e-01 -6.330183e-06 6.752148e-04 9.549958e-05 0.000485 0.000060 True native_MD 7 47 204 + C_AB42_5 CG_AB42_22 1 0.000000e+00 6.327161e-06 ; 3.285457e-01 -6.327161e-06 1.206484e-03 1.496425e-04 0.000485 0.000060 True native_MD 7 47 205 C_AB42_5 CD_AB42_22 1 1.296864e-03 4.889419e-06 ; 3.945122e-01 8.599470e-02 7.829390e-04 1.382919e-04 0.000485 0.002166 True native_MD 7 47 206 C_AB42_5 OE1_AB42_22 1 3.174400e-04 3.369397e-07 ; 3.193854e-01 7.476723e-02 5.595105e-04 2.087356e-04 0.000485 0.002166 True native_MD 7 47 207 C_AB42_5 OE2_AB42_22 1 3.174400e-04 3.369397e-07 ; 3.193854e-01 7.476723e-02 5.595105e-04 2.087356e-04 0.000485 0.002166 True native_MD 7 47 208 @@ -13311,7 +13311,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_5 O_AB42_29 1 2.850399e-04 2.200450e-07 ; 3.028779e-01 9.230809e-02 9.457600e-04 4.975348e-05 0.000485 0.002166 True native_MD 7 47 263 C_AB42_5 N_AB42_30 1 8.347776e-04 1.835844e-06 ; 3.606153e-01 9.489555e-02 1.021902e-03 4.998232e-05 0.000485 0.002166 True native_MD 7 47 264 C_AB42_5 CA_AB42_30 1 3.263399e-03 1.800404e-05 ; 4.203554e-01 1.478803e-01 4.989240e-03 2.656724e-04 0.000485 0.001339 True native_MD 7 47 266 - C_AB42_5 CB_AB42_30 1 0.000000e+00 4.711584e-06 ; 3.205720e-01 -4.711584e-06 3.516483e-03 4.417313e-04 0.000485 0.000060 True native_MD 7 47 267 + C_AB42_5 CB_AB42_30 1 0.000000e+00 4.711522e-06 ; 3.205716e-01 -4.711522e-06 3.516483e-03 4.417313e-04 0.000485 0.000060 True native_MD 7 47 267 C_AB42_5 C_AB42_30 1 2.222519e-03 1.093907e-05 ; 4.124353e-01 1.128886e-01 1.750893e-03 4.459581e-05 0.000485 0.002166 True native_MD 7 47 268 C_AB42_5 O_AB42_30 1 5.912226e-04 7.727748e-07 ; 3.306615e-01 1.130809e-01 1.760994e-03 4.931542e-05 0.000485 0.002166 True native_MD 7 47 269 C_AB42_5 N_AB42_31 1 8.027437e-04 2.143154e-06 ; 3.724598e-01 7.516928e-02 5.662831e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 47 270 @@ -13393,17 +13393,17 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_5 O2_AB42_42 1 3.410914e-04 3.801393e-07 ; 3.219922e-01 7.651364e-02 5.895298e-04 5.074466e-05 0.000485 0.002166 True native_MD 7 47 360 O_AB42_5 O_AB42_5 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 48 48 O_AB42_5 H_AB42_6 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 48 50 - O_AB42_5 CB_AB42_6 1 0.000000e+00 2.015620e-06 ; 2.986728e-01 -2.015620e-06 1.000000e+00 9.999820e-01 0.000485 0.000060 True native_MD 4 48 52 - O_AB42_5 CG_AB42_6 1 0.000000e+00 8.491693e-07 ; 2.779145e-01 -8.491693e-07 4.132125e-01 4.400904e-01 0.000485 0.000060 True native_MD 5 48 53 - O_AB42_5 ND1_AB42_6 1 0.000000e+00 6.708408e-07 ; 2.725084e-01 -6.708408e-07 1.248143e-01 1.903026e-01 0.000485 0.000060 True native_MD 6 48 54 - O_AB42_5 CD2_AB42_6 1 0.000000e+00 8.212224e-07 ; 2.771405e-01 -8.212224e-07 2.300913e-01 2.231737e-01 0.000485 0.000060 True native_MD 6 48 55 + O_AB42_5 CB_AB42_6 1 0.000000e+00 2.015613e-06 ; 2.986727e-01 -2.015613e-06 1.000000e+00 9.999820e-01 0.000485 0.000060 True native_MD 4 48 52 + O_AB42_5 CG_AB42_6 1 0.000000e+00 8.491654e-07 ; 2.779144e-01 -8.491654e-07 4.132125e-01 4.400904e-01 0.000485 0.000060 True native_MD 5 48 53 + O_AB42_5 ND1_AB42_6 1 0.000000e+00 6.708374e-07 ; 2.725083e-01 -6.708374e-07 1.248143e-01 1.903026e-01 0.000485 0.000060 True native_MD 6 48 54 + O_AB42_5 CD2_AB42_6 1 0.000000e+00 8.212186e-07 ; 2.771404e-01 -8.212186e-07 2.300913e-01 2.231737e-01 0.000485 0.000060 True native_MD 6 48 55 O_AB42_5 CE1_AB42_6 1 7.706028e-04 1.173813e-06 ; 3.392043e-01 1.264743e-01 4.266591e-02 5.370424e-02 0.000485 0.003309 True native_MD 7 48 56 O_AB42_5 NE2_AB42_6 1 6.214959e-04 8.287782e-07 ; 3.317671e-01 1.165140e-01 3.266311e-02 3.625423e-02 0.000485 0.002166 True native_MD 7 48 57 - O_AB42_5 C_AB42_6 1 0.000000e+00 8.227301e-07 ; 2.771829e-01 -8.227301e-07 9.997170e-01 9.946226e-01 0.000485 0.000060 True native_MD 4 48 58 + O_AB42_5 C_AB42_6 1 0.000000e+00 8.227263e-07 ; 2.771828e-01 -8.227263e-07 9.997170e-01 9.946226e-01 0.000485 0.000060 True native_MD 4 48 58 O_AB42_5 O_AB42_6 1 0.000000e+00 1.420353e-06 ; 2.900868e-01 -1.420353e-06 8.367489e-01 7.836507e-01 0.000485 0.000060 True native_MD 5 48 59 O_AB42_5 N_AB42_7 1 0.000000e+00 1.513572e-06 ; 2.916276e-01 -1.513572e-06 8.644187e-01 8.734666e-01 0.000485 0.000060 True native_MD 5 48 60 - O_AB42_5 H_AB42_7 1 0.000000e+00 1.530960e-08 ; 1.988728e-01 -1.530960e-08 1.677827e-01 1.544679e-01 0.000485 0.000060 True native_MD 6 48 61 - O_AB42_5 CA_AB42_7 1 0.000000e+00 3.776876e-06 ; 3.147188e-01 -3.776876e-06 5.654402e-01 4.747652e-01 0.000485 0.000060 True native_MD 6 48 62 + O_AB42_5 H_AB42_7 1 0.000000e+00 1.530985e-08 ; 1.988730e-01 -1.530985e-08 1.677827e-01 1.544679e-01 0.000485 0.000060 True native_MD 6 48 61 + O_AB42_5 CA_AB42_7 1 0.000000e+00 3.776906e-06 ; 3.147190e-01 -3.776906e-06 5.654402e-01 4.747652e-01 0.000485 0.000060 True native_MD 6 48 62 O_AB42_5 CB_AB42_7 1 1.260509e-03 3.545316e-06 ; 3.757089e-01 1.120410e-01 1.051038e-01 7.330362e-02 0.000485 0.001191 True native_MD 7 48 63 O_AB42_5 CG_AB42_7 1 1.056206e-03 1.948486e-06 ; 3.502069e-01 1.431331e-01 9.903299e-02 4.955790e-02 0.000485 0.002166 True native_MD 7 48 64 O_AB42_5 OD1_AB42_7 1 0.000000e+00 1.361059e-06 ; 2.890578e-01 -1.361059e-06 1.720333e-01 7.940606e-02 0.000485 0.000060 True native_MD 7 48 65 @@ -13692,31 +13692,31 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 O_AB42_5 CB_AB42_42 1 4.010937e-04 3.297624e-07 ; 3.060736e-01 1.219637e-01 2.297234e-03 2.576553e-04 0.000485 0.001191 True native_MD 7 48 357 O_AB42_5 O1_AB42_42 1 3.241528e-04 3.505999e-07 ; 3.203886e-01 7.492518e-02 5.621614e-04 4.999618e-05 0.000485 0.000060 True native_MD 7 48 359 O_AB42_5 O2_AB42_42 1 3.241528e-04 3.505999e-07 ; 3.203886e-01 7.492518e-02 5.621614e-04 4.999618e-05 0.000485 0.000060 True native_MD 7 48 360 - N_AB42_6 CB_AB42_6 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 52 - N_AB42_6 ND1_AB42_6 1 0.000000e+00 1.049969e-06 ; 2.828740e-01 -1.049969e-06 9.190078e-01 8.334090e-01 0.000485 0.000060 True native_MD 4 49 54 - N_AB42_6 CD2_AB42_6 1 0.000000e+00 1.797695e-06 ; 2.958385e-01 -1.797695e-06 6.790352e-01 8.710231e-01 0.000485 0.000060 True native_MD 4 49 55 - N_AB42_6 CE1_AB42_6 1 0.000000e+00 1.519194e-06 ; 2.917177e-01 -1.519194e-06 4.192377e-01 4.265614e-01 0.000485 0.000060 True native_MD 5 49 56 - N_AB42_6 NE2_AB42_6 1 0.000000e+00 1.084014e-06 ; 2.836272e-01 -1.084014e-06 3.781735e-01 3.222244e-01 0.000485 0.000060 True native_MD 5 49 57 - N_AB42_6 CA_AB42_7 1 0.000000e+00 7.574892e-06 ; 3.335106e-01 -7.574892e-06 9.999885e-01 9.999749e-01 0.000485 0.000060 True native_MD 4 49 62 - N_AB42_6 CB_AB42_7 1 0.000000e+00 3.956949e-06 ; 3.159427e-01 -3.956949e-06 3.503555e-01 4.267595e-01 0.000485 0.000060 True native_MD 5 49 63 - N_AB42_6 CG_AB42_7 1 0.000000e+00 1.386936e-06 ; 2.895119e-01 -1.386936e-06 1.229085e-01 4.253629e-02 0.000485 0.000060 True native_MD 6 49 64 + N_AB42_6 CB_AB42_6 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 52 + N_AB42_6 ND1_AB42_6 1 0.000000e+00 1.049953e-06 ; 2.828736e-01 -1.049953e-06 9.190078e-01 8.334090e-01 0.000485 0.000060 True native_MD 4 49 54 + N_AB42_6 CD2_AB42_6 1 0.000000e+00 1.797670e-06 ; 2.958381e-01 -1.797670e-06 6.790352e-01 8.710231e-01 0.000485 0.000060 True native_MD 4 49 55 + N_AB42_6 CE1_AB42_6 1 0.000000e+00 1.519173e-06 ; 2.917174e-01 -1.519173e-06 4.192377e-01 4.265614e-01 0.000485 0.000060 True native_MD 5 49 56 + N_AB42_6 NE2_AB42_6 1 0.000000e+00 1.083998e-06 ; 2.836269e-01 -1.083998e-06 3.781735e-01 3.222244e-01 0.000485 0.000060 True native_MD 5 49 57 + N_AB42_6 CA_AB42_7 1 0.000000e+00 7.574880e-06 ; 3.335106e-01 -7.574880e-06 9.999885e-01 9.999749e-01 0.000485 0.000060 True native_MD 4 49 62 + N_AB42_6 CB_AB42_7 1 0.000000e+00 3.956897e-06 ; 3.159424e-01 -3.956897e-06 3.503555e-01 4.267595e-01 0.000485 0.000060 True native_MD 5 49 63 + N_AB42_6 CG_AB42_7 1 0.000000e+00 1.386916e-06 ; 2.895115e-01 -1.386916e-06 1.229085e-01 4.253629e-02 0.000485 0.000060 True native_MD 6 49 64 N_AB42_6 OD1_AB42_7 1 6.032841e-04 6.552095e-07 ; 3.206095e-01 1.388684e-01 1.225708e-01 6.968763e-02 0.000485 0.002166 True native_MD 7 49 65 N_AB42_6 OD2_AB42_7 1 6.032841e-04 6.552095e-07 ; 3.206095e-01 1.388684e-01 1.225708e-01 6.968763e-02 0.000485 0.002166 True native_MD 7 49 66 - N_AB42_6 C_AB42_7 1 0.000000e+00 1.548271e-06 ; 2.921789e-01 -1.548271e-06 8.119295e-02 1.077966e-01 0.000485 0.000060 True native_MD 5 49 67 + N_AB42_6 C_AB42_7 1 0.000000e+00 1.548249e-06 ; 2.921786e-01 -1.548249e-06 8.119295e-02 1.077966e-01 0.000485 0.000060 True native_MD 5 49 67 N_AB42_6 O_AB42_7 1 0.000000e+00 1.577911e-06 ; 2.926410e-01 -1.577911e-06 1.098918e-01 1.618325e-01 0.000485 0.000060 True native_MD 6 49 68 - N_AB42_6 N_AB42_8 1 0.000000e+00 9.045910e-07 ; 2.793826e-01 -9.045910e-07 5.664569e-02 9.011672e-02 0.000485 0.000060 True native_MD 6 49 69 + N_AB42_6 N_AB42_8 1 0.000000e+00 9.045815e-07 ; 2.793824e-01 -9.045815e-07 5.664569e-02 9.011672e-02 0.000485 0.000060 True native_MD 6 49 69 N_AB42_6 CA_AB42_8 1 3.797920e-03 3.713437e-05 ; 4.624219e-01 9.710814e-02 3.575659e-02 4.384469e-02 0.000485 0.001339 True native_MD 7 49 71 - N_AB42_6 CB_AB42_8 1 0.000000e+00 3.710498e-06 ; 3.142541e-01 -3.710498e-06 6.603977e-03 1.596624e-02 0.000485 0.000060 True native_MD 7 49 72 + N_AB42_6 CB_AB42_8 1 0.000000e+00 3.710449e-06 ; 3.142538e-01 -3.710449e-06 6.603977e-03 1.596624e-02 0.000485 0.000060 True native_MD 7 49 72 N_AB42_6 OG_AB42_8 1 3.845910e-04 4.181392e-07 ; 3.206665e-01 8.843363e-02 2.105027e-03 5.413857e-03 0.000485 0.002166 True native_MD 7 49 73 N_AB42_6 C_AB42_8 1 1.462443e-03 5.909467e-06 ; 3.990968e-01 9.047935e-02 8.953925e-04 5.134615e-04 0.000485 0.002166 True native_MD 7 49 74 N_AB42_6 O_AB42_8 1 5.560611e-04 5.940618e-07 ; 3.197311e-01 1.301228e-01 1.323589e-02 9.776500e-03 0.000485 0.002166 True native_MD 7 49 75 - N_AB42_6 N_AB42_9 1 0.000000e+00 8.775599e-07 ; 2.786772e-01 -8.775599e-07 3.068114e-03 5.656840e-03 0.000485 0.000060 True native_MD 7 49 76 + N_AB42_6 N_AB42_9 1 0.000000e+00 8.775507e-07 ; 2.786769e-01 -8.775507e-07 3.068114e-03 5.656840e-03 0.000485 0.000060 True native_MD 7 49 76 N_AB42_6 CA_AB42_9 1 2.230421e-03 1.021509e-05 ; 4.075140e-01 1.217507e-01 1.795548e-02 1.245908e-02 0.000485 0.001584 True native_MD 7 49 78 N_AB42_6 C_AB42_9 1 1.093626e-03 2.917317e-06 ; 3.724081e-01 1.024929e-01 1.282772e-03 3.899325e-04 0.000485 0.002166 True native_MD 7 49 79 N_AB42_6 O_AB42_9 1 2.807022e-04 1.479417e-07 ; 2.842109e-01 1.331500e-01 3.724796e-03 2.512985e-03 0.000485 0.002166 True native_MD 7 49 80 N_AB42_6 N_AB42_10 1 1.131924e-03 3.410280e-06 ; 3.800396e-01 9.392564e-02 1.926130e-03 1.158685e-04 0.000485 0.000060 True native_MD 7 49 81 N_AB42_6 CA_AB42_10 1 3.556514e-03 1.958873e-05 ; 4.202396e-01 1.614294e-01 9.314982e-03 1.666405e-03 0.000485 0.001339 True native_MD 7 49 83 - N_AB42_6 CB_AB42_10 1 0.000000e+00 3.635355e-06 ; 3.137188e-01 -3.635355e-06 1.616447e-02 5.085632e-03 0.000485 0.000060 True native_MD 7 49 84 + N_AB42_6 CB_AB42_10 1 0.000000e+00 3.635307e-06 ; 3.137185e-01 -3.635307e-06 1.616447e-02 5.085632e-03 0.000485 0.000060 True native_MD 7 49 84 N_AB42_6 CG_AB42_10 1 7.245466e-04 9.142998e-07 ; 3.287283e-01 1.435437e-01 4.382004e-03 1.090007e-03 0.000485 0.003309 True native_MD 7 49 85 N_AB42_6 CD1_AB42_10 1 7.449922e-04 9.019630e-07 ; 3.264672e-01 1.538348e-01 7.880061e-03 4.373762e-03 0.000485 0.003309 True native_MD 7 49 86 N_AB42_6 CD2_AB42_10 1 7.449922e-04 9.019630e-07 ; 3.264672e-01 1.538348e-01 7.880061e-03 4.373762e-03 0.000485 0.003309 True native_MD 7 49 87 @@ -13729,7 +13729,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_6 N_AB42_11 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 4.187155e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 49 94 N_AB42_6 CA_AB42_11 1 3.758000e-03 2.036013e-05 ; 4.190868e-01 1.734096e-01 1.071099e-02 6.529638e-04 0.000485 0.001339 True native_MD 7 49 96 N_AB42_6 CB_AB42_11 1 7.622083e-04 1.801480e-06 ; 3.649718e-01 8.062278e-02 8.731934e-03 7.821375e-04 0.000485 0.000060 True native_MD 7 49 97 - N_AB42_6 CG_AB42_11 1 0.000000e+00 3.639088e-06 ; 3.137457e-01 -3.639088e-06 1.221298e-02 2.149737e-03 0.000485 0.000060 True native_MD 7 49 98 + N_AB42_6 CG_AB42_11 1 0.000000e+00 3.639040e-06 ; 3.137453e-01 -3.639040e-06 1.221298e-02 2.149737e-03 0.000485 0.000060 True native_MD 7 49 98 N_AB42_6 CD_AB42_11 1 5.046835e-04 3.911344e-07 ; 3.030757e-01 1.627992e-01 7.797043e-03 1.580472e-03 0.000485 0.002166 True native_MD 7 49 99 N_AB42_6 OE1_AB42_11 1 1.655589e-04 4.336275e-08 ; 2.529457e-01 1.580259e-01 7.839444e-03 2.512294e-03 0.000485 0.002166 True native_MD 7 49 100 N_AB42_6 OE2_AB42_11 1 1.655589e-04 4.336275e-08 ; 2.529457e-01 1.580259e-01 7.839444e-03 2.512294e-03 0.000485 0.002166 True native_MD 7 49 101 @@ -13737,13 +13737,13 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_6 N_AB42_12 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.428789e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 49 104 N_AB42_6 CA_AB42_12 1 3.460705e-03 2.265857e-05 ; 4.325251e-01 1.321408e-01 3.115106e-03 3.886632e-05 0.000485 0.001339 True native_MD 7 49 106 N_AB42_6 CB_AB42_12 1 2.066734e-03 1.212744e-05 ; 4.246985e-01 8.805216e-02 8.750478e-03 6.275485e-04 0.000485 0.000060 True native_MD 7 49 107 - N_AB42_6 CG1_AB42_12 1 0.000000e+00 2.723021e-06 ; 3.062546e-01 -2.723021e-06 8.327270e-03 1.070449e-03 0.000485 0.000060 True native_MD 7 49 108 - N_AB42_6 CG2_AB42_12 1 0.000000e+00 2.720528e-06 ; 3.062312e-01 -2.720528e-06 9.402252e-03 1.236396e-03 0.000485 0.000060 True native_MD 7 49 109 + N_AB42_6 CG1_AB42_12 1 0.000000e+00 2.722995e-06 ; 3.062543e-01 -2.722995e-06 8.327270e-03 1.070449e-03 0.000485 0.000060 True native_MD 7 49 108 + N_AB42_6 CG2_AB42_12 1 0.000000e+00 2.720502e-06 ; 3.062310e-01 -2.720502e-06 9.402252e-03 1.236396e-03 0.000485 0.000060 True native_MD 7 49 109 N_AB42_6 C_AB42_12 1 6.301745e-04 1.130499e-06 ; 3.485793e-01 8.781961e-02 8.268861e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 49 110 N_AB42_6 O_AB42_12 1 1.042490e-04 2.543699e-08 ; 2.499764e-01 1.068115e-01 1.459744e-03 1.103874e-04 0.000485 0.002166 True native_MD 7 49 111 N_AB42_6 N_AB42_13 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.042118e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 49 112 N_AB42_6 CA_AB42_13 1 1.614785e-03 5.239835e-06 ; 3.847694e-01 1.244090e-01 2.471645e-03 2.190001e-04 0.000485 0.001339 True native_MD 7 49 114 - N_AB42_6 CB_AB42_13 1 0.000000e+00 3.671763e-06 ; 3.139795e-01 -3.671763e-06 1.675933e-03 5.012519e-04 0.000485 0.000060 True native_MD 7 49 115 + N_AB42_6 CB_AB42_13 1 0.000000e+00 3.671715e-06 ; 3.139791e-01 -3.671715e-06 1.675933e-03 5.012519e-04 0.000485 0.000060 True native_MD 7 49 115 N_AB42_6 CG_AB42_13 1 8.215974e-04 1.542645e-06 ; 3.512377e-01 1.093937e-01 1.577018e-03 2.291065e-04 0.000485 0.002166 True native_MD 7 49 116 N_AB42_6 ND1_AB42_13 1 2.550588e-04 1.368028e-07 ; 2.850422e-01 1.188847e-01 2.095018e-03 7.054523e-04 0.000485 0.002166 True native_MD 7 49 117 N_AB42_6 CD2_AB42_13 1 8.504051e-04 1.541723e-06 ; 3.491913e-01 1.172695e-01 1.996166e-03 8.998803e-04 0.000485 0.003309 True native_MD 7 49 118 @@ -13813,7 +13813,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_6 O_AB42_20 1 1.698353e-04 6.425530e-08 ; 2.689347e-01 1.122243e-01 1.716425e-03 9.331058e-05 0.000485 0.002166 True native_MD 7 49 194 N_AB42_6 N_AB42_21 1 7.888951e-04 1.504659e-06 ; 3.521571e-01 1.034047e-01 1.318258e-03 0.000000e+00 0.000485 0.000060 True native_MD 7 49 195 N_AB42_6 CA_AB42_21 1 2.626981e-03 1.289483e-05 ; 4.122491e-01 1.337946e-01 3.273159e-03 2.761563e-04 0.000485 0.001339 True native_MD 7 49 197 - N_AB42_6 CB_AB42_21 1 0.000000e+00 2.737172e-06 ; 3.063869e-01 -2.737172e-06 2.554356e-03 4.565317e-04 0.000485 0.000060 True native_MD 7 49 198 + N_AB42_6 CB_AB42_21 1 0.000000e+00 2.737146e-06 ; 3.063866e-01 -2.737146e-06 2.554356e-03 4.565317e-04 0.000485 0.000060 True native_MD 7 49 198 N_AB42_6 C_AB42_21 1 6.674991e-04 9.999583e-07 ; 3.382636e-01 1.113934e-01 1.674273e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 49 199 N_AB42_6 O_AB42_21 1 1.518379e-04 4.793063e-08 ; 2.609389e-01 1.202507e-01 2.182434e-03 1.181484e-04 0.000485 0.002166 True native_MD 7 49 200 N_AB42_6 N_AB42_22 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 3.012028e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 49 201 @@ -13953,7 +13953,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_6 O1_AB42_42 1 7.978383e-05 1.869540e-08 ; 2.482961e-01 8.512067e-02 7.627258e-04 7.966424e-05 0.000485 0.002166 True native_MD 7 49 359 N_AB42_6 O2_AB42_42 1 7.978383e-05 1.869540e-08 ; 2.482961e-01 8.512067e-02 7.627258e-04 7.966424e-05 0.000485 0.002166 True native_MD 7 49 360 H_AB42_6 H_AB42_6 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 50 50 - H_AB42_6 O_AB42_6 1 0.000000e+00 1.436378e-08 ; 1.978187e-01 -1.436378e-08 3.859458e-01 3.116737e-01 0.000485 0.000060 True native_MD 4 50 59 + H_AB42_6 O_AB42_6 1 0.000000e+00 1.436401e-08 ; 1.978190e-01 -1.436401e-08 3.859458e-01 3.116737e-01 0.000485 0.000060 True native_MD 4 50 59 H_AB42_6 H_AB42_7 1 0.000000e+00 1.430427e-08 ; 1.977503e-01 -1.430427e-08 3.778610e-01 5.698832e-01 0.000485 0.000060 True native_MD 5 50 61 H_AB42_6 OD1_AB42_7 1 1.909053e-05 6.365715e-10 ; 1.794065e-01 1.431294e-01 4.328009e-03 1.797919e-03 0.000485 0.005316 True native_MD 7 50 65 H_AB42_6 OD2_AB42_7 1 1.909053e-05 6.365715e-10 ; 1.794065e-01 1.431294e-01 4.328009e-03 1.797919e-03 0.000485 0.005316 True native_MD 7 50 66 @@ -14040,16 +14040,16 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 H_AB42_6 H_AB42_42 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 50 355 H_AB42_6 O1_AB42_42 1 4.123630e-06 5.437600e-11 ; 1.537050e-01 7.817938e-02 6.196619e-04 4.998073e-05 0.000485 0.005316 True native_MD 7 50 359 H_AB42_6 O2_AB42_42 1 4.123630e-06 5.437600e-11 ; 1.537050e-01 7.817938e-02 6.196619e-04 4.998073e-05 0.000485 0.005316 True native_MD 7 50 360 - CA_AB42_6 CE1_AB42_6 1 0.000000e+00 1.305177e-05 ; 3.489802e-01 -1.305177e-05 1.000000e+00 9.999931e-01 0.000485 0.000060 True native_MD 4 51 56 - CA_AB42_6 NE2_AB42_6 1 0.000000e+00 9.937191e-06 ; 3.411408e-01 -9.937191e-06 1.000000e+00 9.999902e-01 0.000485 0.000060 True native_MD 4 51 57 - CA_AB42_6 CB_AB42_7 1 0.000000e+00 3.181381e-05 ; 3.758775e-01 -3.181381e-05 9.999951e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 51 63 - CA_AB42_6 CG_AB42_7 1 0.000000e+00 9.955420e-06 ; 3.411929e-01 -9.955420e-06 8.943250e-01 6.570834e-01 0.000485 0.000060 True native_MD 5 51 64 - CA_AB42_6 OD1_AB42_7 1 0.000000e+00 3.022134e-06 ; 3.089260e-01 -3.022134e-06 3.120543e-01 2.109080e-01 0.000485 0.000060 True native_MD 6 51 65 - CA_AB42_6 OD2_AB42_7 1 0.000000e+00 3.022134e-06 ; 3.089260e-01 -3.022134e-06 3.120543e-01 2.109080e-01 0.000485 0.000060 True native_MD 6 51 66 - CA_AB42_6 C_AB42_7 1 0.000000e+00 1.305194e-05 ; 3.489806e-01 -1.305194e-05 9.999871e-01 9.999931e-01 0.000485 0.000060 True native_MD 4 51 67 - CA_AB42_6 O_AB42_7 1 0.000000e+00 3.829036e-06 ; 3.150788e-01 -3.829036e-06 5.712940e-01 4.931770e-01 0.000485 0.000060 True native_MD 5 51 68 - CA_AB42_6 N_AB42_8 1 0.000000e+00 7.702430e-06 ; 3.339750e-01 -7.702430e-06 5.985314e-01 6.153545e-01 0.000485 0.000060 True native_MD 5 51 69 - CA_AB42_6 CA_AB42_8 1 0.000000e+00 6.464294e-05 ; 3.987540e-01 -6.464294e-05 6.257984e-01 6.118744e-01 0.000485 0.000060 True native_MD 6 51 71 + CA_AB42_6 CE1_AB42_6 1 0.000000e+00 1.305171e-05 ; 3.489801e-01 -1.305171e-05 1.000000e+00 9.999931e-01 0.000485 0.000060 True native_MD 4 51 56 + CA_AB42_6 NE2_AB42_6 1 0.000000e+00 9.937133e-06 ; 3.411406e-01 -9.937133e-06 1.000000e+00 9.999902e-01 0.000485 0.000060 True native_MD 4 51 57 + CA_AB42_6 CB_AB42_7 1 0.000000e+00 3.181367e-05 ; 3.758773e-01 -3.181367e-05 9.999951e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 51 63 + CA_AB42_6 CG_AB42_7 1 0.000000e+00 9.955368e-06 ; 3.411927e-01 -9.955368e-06 8.943250e-01 6.570834e-01 0.000485 0.000060 True native_MD 5 51 64 + CA_AB42_6 OD1_AB42_7 1 0.000000e+00 3.022159e-06 ; 3.089262e-01 -3.022159e-06 3.120543e-01 2.109080e-01 0.000485 0.000060 True native_MD 6 51 65 + CA_AB42_6 OD2_AB42_7 1 0.000000e+00 3.022159e-06 ; 3.089262e-01 -3.022159e-06 3.120543e-01 2.109080e-01 0.000485 0.000060 True native_MD 6 51 66 + CA_AB42_6 C_AB42_7 1 0.000000e+00 1.305188e-05 ; 3.489804e-01 -1.305188e-05 9.999871e-01 9.999931e-01 0.000485 0.000060 True native_MD 4 51 67 + CA_AB42_6 O_AB42_7 1 0.000000e+00 3.829066e-06 ; 3.150790e-01 -3.829066e-06 5.712940e-01 4.931770e-01 0.000485 0.000060 True native_MD 5 51 68 + CA_AB42_6 N_AB42_8 1 0.000000e+00 7.702418e-06 ; 3.339750e-01 -7.702418e-06 5.985314e-01 6.153545e-01 0.000485 0.000060 True native_MD 5 51 69 + CA_AB42_6 CA_AB42_8 1 0.000000e+00 6.464342e-05 ; 3.987543e-01 -6.464342e-05 6.257984e-01 6.118744e-01 0.000485 0.000060 True native_MD 6 51 71 CA_AB42_6 CB_AB42_8 1 5.992006e-03 9.857520e-05 ; 5.043119e-01 9.105773e-02 2.105145e-01 2.359099e-01 0.000485 0.001021 True native_MD 7 51 72 CA_AB42_6 OG_AB42_8 1 1.258437e-03 4.567676e-06 ; 3.920222e-01 8.667779e-02 3.635067e-02 6.090267e-02 0.000485 0.001339 True native_MD 7 51 73 CA_AB42_6 C_AB42_8 1 4.923677e-03 5.476738e-05 ; 4.724676e-01 1.106616e-01 1.488883e-01 1.216930e-01 0.000485 0.001339 True native_MD 7 51 74 @@ -14303,30 +14303,30 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CA_AB42_6 C_AB42_42 1 9.418883e-04 2.170277e-06 ; 3.634288e-01 1.021936e-01 1.271333e-03 5.458327e-04 0.000485 0.001339 True native_MD 7 51 358 CA_AB42_6 O1_AB42_42 1 2.730469e-04 2.305974e-07 ; 3.074465e-01 8.082769e-02 6.707707e-04 3.000029e-04 0.000485 0.001339 True native_MD 7 51 359 CA_AB42_6 O2_AB42_42 1 2.730469e-04 2.305974e-07 ; 3.074465e-01 8.082769e-02 6.707707e-04 3.000029e-04 0.000485 0.001339 True native_MD 7 51 360 - CB_AB42_6 CG_AB42_6 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 53 - CB_AB42_6 ND1_AB42_6 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 54 - CB_AB42_6 NE2_AB42_6 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 57 - CB_AB42_6 C_AB42_6 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 58 + CB_AB42_6 CG_AB42_6 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 53 + CB_AB42_6 ND1_AB42_6 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 54 + CB_AB42_6 NE2_AB42_6 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 57 + CB_AB42_6 C_AB42_6 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 58 CB_AB42_6 O_AB42_6 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 59 - CB_AB42_6 N_AB42_7 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 60 - CB_AB42_6 CA_AB42_7 1 0.000000e+00 3.181365e-05 ; 3.758773e-01 -3.181365e-05 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 52 62 - CB_AB42_6 CB_AB42_7 1 0.000000e+00 1.557435e-05 ; 3.541570e-01 -1.557435e-05 6.106391e-01 6.194125e-01 0.000485 0.000060 True native_MD 5 52 63 - CB_AB42_6 CG_AB42_7 1 0.000000e+00 6.507695e-06 ; 3.293168e-01 -6.507695e-06 1.469130e-01 1.743420e-01 0.000485 0.000060 True native_MD 6 52 64 - CB_AB42_6 OD1_AB42_7 1 0.000000e+00 1.661954e-06 ; 2.939093e-01 -1.661954e-06 4.513913e-02 6.371061e-02 0.000485 0.000060 True native_MD 7 52 65 - CB_AB42_6 OD2_AB42_7 1 0.000000e+00 1.661954e-06 ; 2.939093e-01 -1.661954e-06 4.513913e-02 6.371061e-02 0.000485 0.000060 True native_MD 7 52 66 - CB_AB42_6 C_AB42_7 1 0.000000e+00 5.065368e-06 ; 3.225120e-01 -5.065368e-06 5.487950e-01 3.485107e-01 0.000485 0.000060 True native_MD 5 52 67 - CB_AB42_6 O_AB42_7 1 0.000000e+00 1.859510e-06 ; 2.966731e-01 -1.859510e-06 1.996900e-01 1.222234e-01 0.000485 0.000060 True native_MD 6 52 68 - CB_AB42_6 N_AB42_8 1 0.000000e+00 3.384236e-06 ; 3.118531e-01 -3.384236e-06 2.386088e-01 1.592184e-01 0.000485 0.000060 True native_MD 6 52 69 + CB_AB42_6 N_AB42_7 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 60 + CB_AB42_6 CA_AB42_7 1 0.000000e+00 3.181352e-05 ; 3.758772e-01 -3.181352e-05 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 52 62 + CB_AB42_6 CB_AB42_7 1 0.000000e+00 1.557410e-05 ; 3.541565e-01 -1.557410e-05 6.106391e-01 6.194125e-01 0.000485 0.000060 True native_MD 5 52 63 + CB_AB42_6 CG_AB42_7 1 0.000000e+00 6.507586e-06 ; 3.293164e-01 -6.507586e-06 1.469130e-01 1.743420e-01 0.000485 0.000060 True native_MD 6 52 64 + CB_AB42_6 OD1_AB42_7 1 0.000000e+00 1.661949e-06 ; 2.939092e-01 -1.661949e-06 4.513913e-02 6.371061e-02 0.000485 0.000060 True native_MD 7 52 65 + CB_AB42_6 OD2_AB42_7 1 0.000000e+00 1.661949e-06 ; 2.939092e-01 -1.661949e-06 4.513913e-02 6.371061e-02 0.000485 0.000060 True native_MD 7 52 66 + CB_AB42_6 C_AB42_7 1 0.000000e+00 5.065283e-06 ; 3.225116e-01 -5.065283e-06 5.487950e-01 3.485107e-01 0.000485 0.000060 True native_MD 5 52 67 + CB_AB42_6 O_AB42_7 1 0.000000e+00 1.859503e-06 ; 2.966730e-01 -1.859503e-06 1.996900e-01 1.222234e-01 0.000485 0.000060 True native_MD 6 52 68 + CB_AB42_6 N_AB42_8 1 0.000000e+00 3.384192e-06 ; 3.118528e-01 -3.384192e-06 2.386088e-01 1.592184e-01 0.000485 0.000060 True native_MD 6 52 69 CB_AB42_6 CA_AB42_8 1 4.667049e-03 4.976650e-05 ; 4.691544e-01 1.094177e-01 2.714720e-01 1.756186e-01 0.000485 0.001021 True native_MD 7 52 71 CB_AB42_6 CB_AB42_8 1 3.782016e-03 3.209086e-05 ; 4.516233e-01 1.114308e-01 1.244267e-01 8.835513e-02 0.000485 0.001190 True native_MD 7 52 72 - CB_AB42_6 OG_AB42_8 1 0.000000e+00 2.794368e-06 ; 3.069154e-01 -2.794368e-06 3.163004e-02 3.553240e-02 0.000485 0.000060 True native_MD 7 52 73 - CB_AB42_6 C_AB42_8 1 0.000000e+00 6.105275e-06 ; 3.275697e-01 -6.105275e-06 1.001404e-01 6.403559e-02 0.000485 0.000060 True native_MD 7 52 74 + CB_AB42_6 OG_AB42_8 1 0.000000e+00 2.794326e-06 ; 3.069150e-01 -2.794326e-06 3.163004e-02 3.553240e-02 0.000485 0.000060 True native_MD 7 52 73 + CB_AB42_6 C_AB42_8 1 0.000000e+00 6.105172e-06 ; 3.275693e-01 -6.105172e-06 1.001404e-01 6.403559e-02 0.000485 0.000060 True native_MD 7 52 74 CB_AB42_6 O_AB42_8 1 4.893265e-04 4.648274e-07 ; 3.135322e-01 1.287792e-01 8.451369e-02 3.571847e-02 0.000485 0.001191 True native_MD 7 52 75 - CB_AB42_6 N_AB42_9 1 0.000000e+00 3.666377e-06 ; 3.139410e-01 -3.666377e-06 8.366231e-02 8.102235e-02 0.000485 0.000060 True native_MD 7 52 76 + CB_AB42_6 N_AB42_9 1 0.000000e+00 3.666329e-06 ; 3.139407e-01 -3.666329e-06 8.366231e-02 8.102235e-02 0.000485 0.000060 True native_MD 7 52 76 CB_AB42_6 CA_AB42_9 1 1.714728e-03 6.955303e-06 ; 3.993498e-01 1.056852e-01 1.187097e-01 1.001101e-01 0.000485 0.001190 True native_MD 7 52 78 - CB_AB42_6 C_AB42_9 1 0.000000e+00 6.358035e-06 ; 3.286790e-01 -6.358035e-06 3.844169e-02 4.224240e-02 0.000485 0.000060 True native_MD 7 52 79 + CB_AB42_6 C_AB42_9 1 0.000000e+00 6.357928e-06 ; 3.286785e-01 -6.357928e-06 3.844169e-02 4.224240e-02 0.000485 0.000060 True native_MD 7 52 79 CB_AB42_6 O_AB42_9 1 3.288490e-04 2.638038e-07 ; 3.048228e-01 1.024830e-01 2.075562e-02 1.926923e-02 0.000485 0.001191 True native_MD 7 52 80 - CB_AB42_6 N_AB42_10 1 0.000000e+00 3.668718e-06 ; 3.139577e-01 -3.668718e-06 2.397873e-02 2.197547e-02 0.000485 0.000060 True native_MD 7 52 81 + CB_AB42_6 N_AB42_10 1 0.000000e+00 3.668669e-06 ; 3.139574e-01 -3.668669e-06 2.397873e-02 2.197547e-02 0.000485 0.000060 True native_MD 7 52 81 CB_AB42_6 CA_AB42_10 1 1.893099e-03 8.802951e-06 ; 4.085474e-01 1.017790e-01 5.161666e-02 4.196747e-02 0.000485 0.001021 True native_MD 7 52 83 CB_AB42_6 CB_AB42_10 1 1.374566e-03 4.323873e-06 ; 3.827818e-01 1.092441e-01 4.565017e-02 3.460831e-02 0.000485 0.001190 True native_MD 7 52 84 CB_AB42_6 CG_AB42_10 1 1.546158e-03 4.379202e-06 ; 3.761463e-01 1.364749e-01 2.768389e-02 1.820469e-02 0.000485 0.002332 True native_MD 7 52 85 @@ -14335,53 +14335,53 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_6 CE1_AB42_10 1 9.784106e-04 1.850203e-06 ; 3.516547e-01 1.293490e-01 3.998960e-02 3.254742e-02 0.000485 0.002332 True native_MD 7 52 88 CB_AB42_6 CE2_AB42_10 1 9.784106e-04 1.850203e-06 ; 3.516547e-01 1.293490e-01 3.998960e-02 3.254742e-02 0.000485 0.002332 True native_MD 7 52 89 CB_AB42_6 CZ_AB42_10 1 1.122860e-03 2.309882e-06 ; 3.566241e-01 1.364588e-01 4.431649e-02 2.915615e-02 0.000485 0.002332 True native_MD 7 52 90 - CB_AB42_6 OH_AB42_10 1 0.000000e+00 2.725179e-06 ; 3.062748e-01 -2.725179e-06 4.211303e-02 2.115863e-02 0.000485 0.000060 True native_MD 7 52 91 - CB_AB42_6 C_AB42_10 1 0.000000e+00 6.281316e-06 ; 3.283466e-01 -6.281316e-06 2.119066e-02 1.287914e-02 0.000485 0.000060 True native_MD 7 52 92 + CB_AB42_6 OH_AB42_10 1 0.000000e+00 2.725138e-06 ; 3.062744e-01 -2.725138e-06 4.211303e-02 2.115863e-02 0.000485 0.000060 True native_MD 7 52 91 + CB_AB42_6 C_AB42_10 1 0.000000e+00 6.281211e-06 ; 3.283462e-01 -6.281211e-06 2.119066e-02 1.287914e-02 0.000485 0.000060 True native_MD 7 52 92 CB_AB42_6 O_AB42_10 1 2.734867e-04 1.906245e-07 ; 2.977651e-01 9.809201e-02 1.599587e-02 1.693578e-02 0.000485 0.001191 True native_MD 7 52 93 - CB_AB42_6 N_AB42_11 1 0.000000e+00 3.642597e-06 ; 3.137709e-01 -3.642597e-06 1.211791e-02 3.009116e-03 0.000485 0.000060 True native_MD 7 52 94 + CB_AB42_6 N_AB42_11 1 0.000000e+00 3.642549e-06 ; 3.137705e-01 -3.642549e-06 1.211791e-02 3.009116e-03 0.000485 0.000060 True native_MD 7 52 94 CB_AB42_6 CA_AB42_11 1 2.399043e-03 1.220955e-05 ; 4.147410e-01 1.178464e-01 3.474861e-02 1.746779e-02 0.000485 0.001021 True native_MD 7 52 96 CB_AB42_6 CB_AB42_11 1 1.506711e-03 4.420039e-06 ; 3.783549e-01 1.284027e-01 2.987877e-02 1.276744e-02 0.000485 0.001190 True native_MD 7 52 97 CB_AB42_6 CG_AB42_11 1 1.287662e-03 3.542144e-06 ; 3.743209e-01 1.170247e-01 2.959143e-02 1.777391e-02 0.000485 0.001190 True native_MD 7 52 98 - CB_AB42_6 CD_AB42_11 1 0.000000e+00 6.312733e-06 ; 3.284832e-01 -6.312733e-06 1.740956e-02 1.405812e-02 0.000485 0.000060 True native_MD 7 52 99 - CB_AB42_6 OE1_AB42_11 1 0.000000e+00 1.628539e-06 ; 2.934122e-01 -1.628539e-06 9.788283e-03 7.880396e-03 0.000485 0.000060 True native_MD 7 52 100 - CB_AB42_6 OE2_AB42_11 1 0.000000e+00 1.628539e-06 ; 2.934122e-01 -1.628539e-06 9.788283e-03 7.880396e-03 0.000485 0.000060 True native_MD 7 52 101 - CB_AB42_6 C_AB42_11 1 0.000000e+00 6.289839e-06 ; 3.283837e-01 -6.289839e-06 9.167379e-03 2.201507e-03 0.000485 0.000060 True native_MD 7 52 102 + CB_AB42_6 CD_AB42_11 1 0.000000e+00 6.312627e-06 ; 3.284827e-01 -6.312627e-06 1.740956e-02 1.405812e-02 0.000485 0.000060 True native_MD 7 52 99 + CB_AB42_6 OE1_AB42_11 1 0.000000e+00 1.628533e-06 ; 2.934121e-01 -1.628533e-06 9.788283e-03 7.880396e-03 0.000485 0.000060 True native_MD 7 52 100 + CB_AB42_6 OE2_AB42_11 1 0.000000e+00 1.628533e-06 ; 2.934121e-01 -1.628533e-06 9.788283e-03 7.880396e-03 0.000485 0.000060 True native_MD 7 52 101 + CB_AB42_6 C_AB42_11 1 0.000000e+00 6.289734e-06 ; 3.283833e-01 -6.289734e-06 9.167379e-03 2.201507e-03 0.000485 0.000060 True native_MD 7 52 102 CB_AB42_6 O_AB42_11 1 3.877314e-04 2.820644e-07 ; 2.998952e-01 1.332459e-01 6.410775e-03 2.370418e-03 0.000485 0.001191 True native_MD 7 52 103 - CB_AB42_6 N_AB42_12 1 0.000000e+00 3.655835e-06 ; 3.138657e-01 -3.655835e-06 6.445852e-03 9.382450e-04 0.000485 0.000060 True native_MD 7 52 104 + CB_AB42_6 N_AB42_12 1 0.000000e+00 3.655787e-06 ; 3.138654e-01 -3.655787e-06 6.445852e-03 9.382450e-04 0.000485 0.000060 True native_MD 7 52 104 CB_AB42_6 CA_AB42_12 1 2.855772e-03 1.374993e-05 ; 4.109253e-01 1.482813e-01 2.515004e-02 5.084950e-03 0.000485 0.001021 True native_MD 7 52 106 CB_AB42_6 CB_AB42_12 1 2.755137e-03 1.348606e-05 ; 4.120567e-01 1.407153e-01 3.939679e-02 9.989455e-03 0.000485 0.001021 True native_MD 7 52 107 CB_AB42_6 CG1_AB42_12 1 1.336561e-03 2.668013e-06 ; 3.548405e-01 1.673901e-01 2.988589e-02 7.791035e-03 0.000485 0.002332 True native_MD 7 52 108 CB_AB42_6 CG2_AB42_12 1 1.264682e-03 2.485499e-06 ; 3.539202e-01 1.608753e-01 3.105973e-02 9.840042e-03 0.000485 0.002332 True native_MD 7 52 109 - CB_AB42_6 C_AB42_12 1 0.000000e+00 6.307969e-06 ; 3.284625e-01 -6.307969e-06 5.033683e-03 9.300425e-04 0.000485 0.000060 True native_MD 7 52 110 + CB_AB42_6 C_AB42_12 1 0.000000e+00 6.307863e-06 ; 3.284620e-01 -6.307863e-06 5.033683e-03 9.300425e-04 0.000485 0.000060 True native_MD 7 52 110 CB_AB42_6 O_AB42_12 1 4.802823e-04 4.598179e-07 ; 3.139411e-01 1.254144e-01 2.992848e-03 1.398886e-03 0.000485 0.001191 True native_MD 7 52 111 CB_AB42_6 N_AB42_13 1 6.946497e-04 1.571509e-06 ; 3.623196e-01 7.676352e-02 3.870754e-03 3.891578e-04 0.000485 0.000060 True native_MD 7 52 112 CB_AB42_6 CA_AB42_13 1 2.201516e-03 9.829481e-06 ; 4.057901e-01 1.232688e-01 1.069446e-02 4.570742e-03 0.000485 0.001021 True native_MD 7 52 114 CB_AB42_6 CB_AB42_13 1 1.423631e-03 4.337205e-06 ; 3.807461e-01 1.168221e-01 9.768615e-03 5.903135e-03 0.000485 0.001190 True native_MD 7 52 115 - CB_AB42_6 CG_AB42_13 1 0.000000e+00 6.308490e-06 ; 3.284648e-01 -6.308490e-06 8.924501e-03 4.903158e-03 0.000485 0.000060 True native_MD 7 52 116 - CB_AB42_6 ND1_AB42_13 1 0.000000e+00 4.819553e-06 ; 3.211778e-01 -4.819553e-06 6.985822e-03 6.378343e-03 0.000485 0.000060 True native_MD 7 52 117 + CB_AB42_6 CG_AB42_13 1 0.000000e+00 6.308384e-06 ; 3.284643e-01 -6.308384e-06 8.924501e-03 4.903158e-03 0.000485 0.000060 True native_MD 7 52 116 + CB_AB42_6 ND1_AB42_13 1 0.000000e+00 4.819470e-06 ; 3.211774e-01 -4.819470e-06 6.985822e-03 6.378343e-03 0.000485 0.000060 True native_MD 7 52 117 CB_AB42_6 CD2_AB42_13 1 7.874868e-04 1.118439e-06 ; 3.352701e-01 1.386162e-01 1.212120e-02 7.476040e-03 0.000485 0.002332 True native_MD 7 52 118 CB_AB42_6 CE1_AB42_13 1 7.291158e-04 1.075219e-06 ; 3.373780e-01 1.236050e-01 1.138200e-02 1.100122e-02 0.000485 0.002332 True native_MD 7 52 119 - CB_AB42_6 NE2_AB42_13 1 0.000000e+00 4.805856e-06 ; 3.211017e-01 -4.805856e-06 1.300053e-02 9.552708e-03 0.000485 0.000060 True native_MD 7 52 120 - CB_AB42_6 C_AB42_13 1 0.000000e+00 6.309901e-06 ; 3.284709e-01 -6.309901e-06 4.875630e-03 1.077083e-03 0.000485 0.000060 True native_MD 7 52 121 + CB_AB42_6 NE2_AB42_13 1 0.000000e+00 4.805772e-06 ; 3.211012e-01 -4.805772e-06 1.300053e-02 9.552708e-03 0.000485 0.000060 True native_MD 7 52 120 + CB_AB42_6 C_AB42_13 1 0.000000e+00 6.309795e-06 ; 3.284704e-01 -6.309795e-06 4.875630e-03 1.077083e-03 0.000485 0.000060 True native_MD 7 52 121 CB_AB42_6 O_AB42_13 1 4.654081e-04 4.010957e-07 ; 3.084862e-01 1.350081e-01 4.287325e-03 1.503825e-03 0.000485 0.001191 True native_MD 7 52 122 - CB_AB42_6 N_AB42_14 1 0.000000e+00 3.666839e-06 ; 3.139443e-01 -3.666839e-06 2.916772e-03 4.025701e-04 0.000485 0.000060 True native_MD 7 52 123 + CB_AB42_6 N_AB42_14 1 0.000000e+00 3.666791e-06 ; 3.139440e-01 -3.666791e-06 2.916772e-03 4.025701e-04 0.000485 0.000060 True native_MD 7 52 123 CB_AB42_6 CA_AB42_14 1 4.017986e-03 2.603666e-05 ; 4.317803e-01 1.550142e-01 1.305623e-02 2.158048e-03 0.000485 0.001021 True native_MD 7 52 125 CB_AB42_6 CB_AB42_14 1 1.947520e-03 6.161506e-06 ; 3.831488e-01 1.538924e-01 1.454455e-02 2.898412e-03 0.000485 0.001190 True native_MD 7 52 126 - CB_AB42_6 CG_AB42_14 1 0.000000e+00 6.266341e-06 ; 3.282813e-01 -6.266341e-06 1.292462e-02 2.248885e-03 0.000485 0.000060 True native_MD 7 52 127 - CB_AB42_6 ND1_AB42_14 1 0.000000e+00 4.784343e-06 ; 3.209816e-01 -4.784343e-06 1.158606e-02 3.677316e-03 0.000485 0.000060 True native_MD 7 52 128 + CB_AB42_6 CG_AB42_14 1 0.000000e+00 6.266236e-06 ; 3.282809e-01 -6.266236e-06 1.292462e-02 2.248885e-03 0.000485 0.000060 True native_MD 7 52 127 + CB_AB42_6 ND1_AB42_14 1 0.000000e+00 4.784260e-06 ; 3.209812e-01 -4.784260e-06 1.158606e-02 3.677316e-03 0.000485 0.000060 True native_MD 7 52 128 CB_AB42_6 CD2_AB42_14 1 1.056236e-03 1.654562e-06 ; 3.407901e-01 1.685694e-01 1.609976e-02 4.051852e-03 0.000485 0.002332 True native_MD 7 52 129 CB_AB42_6 CE1_AB42_14 1 9.338358e-04 1.434288e-06 ; 3.396730e-01 1.520004e-01 1.807236e-02 7.467779e-03 0.000485 0.002332 True native_MD 7 52 130 - CB_AB42_6 NE2_AB42_14 1 0.000000e+00 4.770549e-06 ; 3.209044e-01 -4.770549e-06 1.711815e-02 6.349121e-03 0.000485 0.000060 True native_MD 7 52 131 - CB_AB42_6 C_AB42_14 1 0.000000e+00 6.310000e-06 ; 3.284713e-01 -6.310000e-06 4.373175e-03 5.903000e-04 0.000485 0.000060 True native_MD 7 52 132 + CB_AB42_6 NE2_AB42_14 1 0.000000e+00 4.770467e-06 ; 3.209040e-01 -4.770467e-06 1.711815e-02 6.349121e-03 0.000485 0.000060 True native_MD 7 52 131 + CB_AB42_6 C_AB42_14 1 0.000000e+00 6.309895e-06 ; 3.284709e-01 -6.309895e-06 4.373175e-03 5.903000e-04 0.000485 0.000060 True native_MD 7 52 132 CB_AB42_6 O_AB42_14 1 3.163612e-04 1.780962e-07 ; 2.873505e-01 1.404920e-01 3.999553e-03 5.979168e-04 0.000485 0.001191 True native_MD 7 52 133 CB_AB42_6 N_AB42_15 1 1.674905e-03 5.501167e-06 ; 3.855471e-01 1.274869e-01 2.914457e-03 6.421751e-05 0.000485 0.000060 True native_MD 7 52 134 CB_AB42_6 CA_AB42_15 1 2.706186e-03 1.279755e-05 ; 4.096958e-01 1.430634e-01 7.228269e-03 1.708435e-03 0.000485 0.001021 True native_MD 7 52 136 CB_AB42_6 CB_AB42_15 1 2.368850e-03 9.407768e-06 ; 3.979466e-01 1.491175e-01 6.352718e-03 1.460418e-03 0.000485 0.001190 True native_MD 7 52 137 CB_AB42_6 CG_AB42_15 1 1.820090e-03 5.801701e-06 ; 3.836281e-01 1.427481e-01 1.020876e-02 2.839694e-03 0.000485 0.001190 True native_MD 7 52 138 - CB_AB42_6 CD_AB42_15 1 0.000000e+00 6.284247e-06 ; 3.283594e-01 -6.284247e-06 1.144878e-02 3.600020e-03 0.000485 0.000060 True native_MD 7 52 139 + CB_AB42_6 CD_AB42_15 1 0.000000e+00 6.284142e-06 ; 3.283589e-01 -6.284142e-06 1.144878e-02 3.600020e-03 0.000485 0.000060 True native_MD 7 52 139 CB_AB42_6 OE1_AB42_15 1 4.817999e-04 4.165696e-07 ; 3.086528e-01 1.393111e-01 8.201625e-03 2.529218e-03 0.000485 0.001191 True native_MD 7 52 140 - CB_AB42_6 NE2_AB42_15 1 0.000000e+00 6.242296e-06 ; 3.281762e-01 -6.242296e-06 1.818262e-02 4.169123e-03 0.000485 0.000060 True native_MD 7 52 141 - CB_AB42_6 C_AB42_15 1 0.000000e+00 6.317421e-06 ; 3.285035e-01 -6.317421e-06 2.981780e-03 3.704962e-04 0.000485 0.000060 True native_MD 7 52 142 + CB_AB42_6 NE2_AB42_15 1 0.000000e+00 6.242261e-06 ; 3.281760e-01 -6.242261e-06 1.818262e-02 4.169123e-03 0.000485 0.000060 True native_MD 7 52 141 + CB_AB42_6 C_AB42_15 1 0.000000e+00 6.317315e-06 ; 3.285030e-01 -6.317315e-06 2.981780e-03 3.704962e-04 0.000485 0.000060 True native_MD 7 52 142 CB_AB42_6 O_AB42_15 1 3.993729e-04 3.306999e-07 ; 3.064380e-01 1.205766e-01 2.203827e-03 4.015344e-04 0.000485 0.001191 True native_MD 7 52 143 CB_AB42_6 N_AB42_16 1 1.538564e-03 4.541290e-06 ; 3.787424e-01 1.303142e-01 2.949401e-03 2.509022e-06 0.000485 0.000060 True native_MD 7 52 144 CB_AB42_6 CA_AB42_16 1 3.661074e-03 1.827655e-05 ; 4.134100e-01 1.833424e-01 1.441860e-02 1.005947e-03 0.000485 0.001021 True native_MD 7 52 146 @@ -14389,7 +14389,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_6 CG_AB42_16 1 2.445537e-03 8.025713e-06 ; 3.854945e-01 1.862965e-01 2.022637e-02 1.528381e-03 0.000485 0.001190 True native_MD 7 52 148 CB_AB42_6 CD_AB42_16 1 2.349495e-03 7.727432e-06 ; 3.856353e-01 1.785886e-01 2.396801e-02 2.280989e-03 0.000485 0.001190 True native_MD 7 52 149 CB_AB42_6 CE_AB42_16 1 2.450023e-03 9.018945e-06 ; 3.929442e-01 1.663890e-01 2.612846e-02 3.582277e-03 0.000485 0.001190 True native_MD 7 52 150 - CB_AB42_6 NZ_AB42_16 1 0.000000e+00 3.637524e-06 ; 3.137344e-01 -3.637524e-06 1.279386e-02 2.304970e-03 0.000485 0.000060 True native_MD 7 52 151 + CB_AB42_6 NZ_AB42_16 1 0.000000e+00 3.637476e-06 ; 3.137341e-01 -3.637476e-06 1.279386e-02 2.304970e-03 0.000485 0.000060 True native_MD 7 52 151 CB_AB42_6 C_AB42_16 1 1.876689e-03 1.034178e-05 ; 4.202752e-01 8.513920e-02 3.459147e-03 2.706720e-04 0.000485 0.000060 True native_MD 7 52 152 CB_AB42_6 O_AB42_16 1 4.355178e-04 5.409384e-07 ; 3.278614e-01 8.766052e-02 8.229588e-04 4.428256e-04 0.000485 0.001191 True native_MD 7 52 153 CB_AB42_6 N_AB42_17 1 1.370818e-03 3.313745e-06 ; 3.663447e-01 1.417687e-01 4.155318e-03 1.194395e-05 0.000485 0.000060 True native_MD 7 52 154 @@ -14405,9 +14405,9 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_6 CB_AB42_18 1 2.044951e-03 7.042859e-06 ; 3.886073e-01 1.484420e-01 1.346690e-02 2.709737e-03 0.000485 0.001021 True native_MD 7 52 166 CB_AB42_6 CG1_AB42_18 1 1.528802e-03 3.444810e-06 ; 3.620782e-01 1.696201e-01 9.562662e-03 2.219214e-03 0.000485 0.002332 True native_MD 7 52 167 CB_AB42_6 CG2_AB42_18 1 1.496664e-03 3.250694e-06 ; 3.598670e-01 1.722711e-01 1.035223e-02 1.896361e-03 0.000485 0.002332 True native_MD 7 52 168 - CB_AB42_6 C_AB42_18 1 0.000000e+00 6.320033e-06 ; 3.285148e-01 -6.320033e-06 2.744769e-03 5.457710e-04 0.000485 0.000060 True native_MD 7 52 169 + CB_AB42_6 C_AB42_18 1 0.000000e+00 6.319927e-06 ; 3.285143e-01 -6.319927e-06 2.744769e-03 5.457710e-04 0.000485 0.000060 True native_MD 7 52 169 CB_AB42_6 O_AB42_18 1 5.223451e-04 5.510625e-07 ; 3.190611e-01 1.237811e-01 2.425631e-03 5.478480e-04 0.000485 0.001191 True native_MD 7 52 170 - CB_AB42_6 N_AB42_19 1 0.000000e+00 3.670830e-06 ; 3.139728e-01 -3.670830e-06 1.637125e-03 2.085109e-04 0.000485 0.000060 True native_MD 7 52 171 + CB_AB42_6 N_AB42_19 1 0.000000e+00 3.670782e-06 ; 3.139725e-01 -3.670782e-06 1.637125e-03 2.085109e-04 0.000485 0.000060 True native_MD 7 52 171 CB_AB42_6 CA_AB42_19 1 4.759842e-03 3.344002e-05 ; 4.376353e-01 1.693786e-01 1.481167e-02 1.592788e-03 0.000485 0.001021 True native_MD 7 52 173 CB_AB42_6 CB_AB42_19 1 1.727554e-03 4.424562e-06 ; 3.698905e-01 1.686292e-01 1.504811e-02 1.929355e-03 0.000485 0.001190 True native_MD 7 52 174 CB_AB42_6 CG_AB42_19 1 1.544187e-03 3.288982e-06 ; 3.586963e-01 1.812502e-01 1.354353e-02 1.634316e-03 0.000485 0.002332 True native_MD 7 52 175 @@ -14418,7 +14418,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_6 CZ_AB42_19 1 1.194518e-03 2.143590e-06 ; 3.485980e-01 1.664115e-01 1.568283e-02 4.210216e-03 0.000485 0.002332 True native_MD 7 52 180 CB_AB42_6 C_AB42_19 1 1.574994e-03 6.124169e-06 ; 3.965470e-01 1.012630e-01 6.058475e-03 2.926054e-04 0.000485 0.000060 True native_MD 7 52 181 CB_AB42_6 O_AB42_19 1 3.837664e-04 2.649420e-07 ; 2.972902e-01 1.389707e-01 3.821546e-03 2.643846e-04 0.000485 0.001191 True native_MD 7 52 182 - CB_AB42_6 N_AB42_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 183 + CB_AB42_6 N_AB42_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 183 CB_AB42_6 CA_AB42_20 1 3.005044e-03 1.331442e-05 ; 4.052707e-01 1.695584e-01 1.391276e-02 1.488092e-03 0.000485 0.001021 True native_MD 7 52 185 CB_AB42_6 CB_AB42_20 1 1.619591e-03 3.819169e-06 ; 3.648328e-01 1.717046e-01 1.501277e-02 1.755580e-03 0.000485 0.001190 True native_MD 7 52 186 CB_AB42_6 CG_AB42_20 1 1.745518e-03 4.207964e-06 ; 3.661772e-01 1.810158e-01 1.344887e-02 1.153133e-03 0.000485 0.002332 True native_MD 7 52 187 @@ -14432,23 +14432,23 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_6 N_AB42_21 1 6.832678e-04 1.528395e-06 ; 3.616381e-01 7.636356e-02 3.339625e-03 3.398021e-04 0.000485 0.000060 True native_MD 7 52 195 CB_AB42_6 CA_AB42_21 1 2.018393e-03 6.954164e-06 ; 3.886332e-01 1.464557e-01 7.139816e-03 1.524621e-03 0.000485 0.001021 True native_MD 7 52 197 CB_AB42_6 CB_AB42_21 1 1.181479e-03 2.282526e-06 ; 3.529108e-01 1.528890e-01 5.796028e-03 1.631688e-03 0.000485 0.002332 True native_MD 7 52 198 - CB_AB42_6 C_AB42_21 1 0.000000e+00 6.316131e-06 ; 3.284979e-01 -6.316131e-06 3.372807e-03 5.578960e-04 0.000485 0.000060 True native_MD 7 52 199 + CB_AB42_6 C_AB42_21 1 0.000000e+00 6.316025e-06 ; 3.284974e-01 -6.316025e-06 3.372807e-03 5.578960e-04 0.000485 0.000060 True native_MD 7 52 199 CB_AB42_6 O_AB42_21 1 5.281450e-04 5.523911e-07 ; 3.186023e-01 1.262408e-01 2.610916e-03 4.422180e-04 0.000485 0.001191 True native_MD 7 52 200 CB_AB42_6 N_AB42_22 1 8.360446e-04 1.956797e-06 ; 3.643785e-01 8.930037e-02 2.832875e-03 1.957133e-04 0.000485 0.000060 True native_MD 7 52 201 CB_AB42_6 CA_AB42_22 1 1.875100e-03 6.024263e-06 ; 3.841315e-01 1.459100e-01 4.703571e-03 8.367846e-04 0.000485 0.001021 True native_MD 7 52 203 CB_AB42_6 CB_AB42_22 1 1.696072e-03 4.881811e-06 ; 3.771575e-01 1.473152e-01 4.905583e-03 6.823139e-04 0.000485 0.001190 True native_MD 7 52 204 CB_AB42_6 CG_AB42_22 1 1.459756e-03 3.735338e-06 ; 3.698352e-01 1.426168e-01 4.262129e-03 1.126996e-03 0.000485 0.001190 True native_MD 7 52 205 - CB_AB42_6 CD_AB42_22 1 0.000000e+00 6.327838e-06 ; 3.285486e-01 -6.327838e-06 2.173863e-03 1.207092e-03 0.000485 0.000060 True native_MD 7 52 206 - CB_AB42_6 OE1_AB42_22 1 0.000000e+00 1.631203e-06 ; 2.934522e-01 -1.631203e-06 1.227279e-03 9.517481e-04 0.000485 0.000060 True native_MD 7 52 207 - CB_AB42_6 OE2_AB42_22 1 0.000000e+00 1.631203e-06 ; 2.934522e-01 -1.631203e-06 1.227279e-03 9.517481e-04 0.000485 0.000060 True native_MD 7 52 208 + CB_AB42_6 CD_AB42_22 1 0.000000e+00 6.327731e-06 ; 3.285481e-01 -6.327731e-06 2.173863e-03 1.207092e-03 0.000485 0.000060 True native_MD 7 52 206 + CB_AB42_6 OE1_AB42_22 1 0.000000e+00 1.631197e-06 ; 2.934521e-01 -1.631197e-06 1.227279e-03 9.517481e-04 0.000485 0.000060 True native_MD 7 52 207 + CB_AB42_6 OE2_AB42_22 1 0.000000e+00 1.631197e-06 ; 2.934521e-01 -1.631197e-06 1.227279e-03 9.517481e-04 0.000485 0.000060 True native_MD 7 52 208 CB_AB42_6 C_AB42_22 1 7.859510e-04 2.194830e-06 ; 3.752617e-01 7.036069e-02 2.156574e-03 2.626092e-04 0.000485 0.000060 True native_MD 7 52 209 CB_AB42_6 O_AB42_22 1 3.659492e-04 2.891509e-07 ; 3.040539e-01 1.157863e-01 1.909498e-03 3.361013e-04 0.000485 0.001191 True native_MD 7 52 210 CB_AB42_6 N_AB42_23 1 1.226518e-03 5.307064e-06 ; 4.036733e-01 7.086529e-02 4.978472e-04 4.085681e-05 0.000485 0.000060 True native_MD 7 52 211 CB_AB42_6 CA_AB42_23 1 1.619347e-03 5.075822e-06 ; 3.825555e-01 1.291556e-01 2.848894e-03 7.840567e-04 0.000485 0.001021 True native_MD 7 52 213 CB_AB42_6 CB_AB42_23 1 7.744413e-04 1.351854e-06 ; 3.469953e-01 1.109142e-01 1.650437e-03 7.279512e-04 0.000485 0.001190 True native_MD 7 52 214 - CB_AB42_6 CG_AB42_23 1 0.000000e+00 6.331449e-06 ; 3.285642e-01 -6.331449e-06 1.028728e-03 6.320556e-04 0.000485 0.000060 True native_MD 7 52 215 - CB_AB42_6 OD1_AB42_23 1 0.000000e+00 1.631412e-06 ; 2.934553e-01 -1.631412e-06 5.961803e-04 4.493121e-04 0.000485 0.000060 True native_MD 7 52 216 - CB_AB42_6 OD2_AB42_23 1 0.000000e+00 1.631412e-06 ; 2.934553e-01 -1.631412e-06 5.961803e-04 4.493121e-04 0.000485 0.000060 True native_MD 7 52 217 + CB_AB42_6 CG_AB42_23 1 0.000000e+00 6.331342e-06 ; 3.285638e-01 -6.331342e-06 1.028728e-03 6.320556e-04 0.000485 0.000060 True native_MD 7 52 215 + CB_AB42_6 OD1_AB42_23 1 0.000000e+00 1.631407e-06 ; 2.934552e-01 -1.631407e-06 5.961803e-04 4.493121e-04 0.000485 0.000060 True native_MD 7 52 216 + CB_AB42_6 OD2_AB42_23 1 0.000000e+00 1.631407e-06 ; 2.934552e-01 -1.631407e-06 5.961803e-04 4.493121e-04 0.000485 0.000060 True native_MD 7 52 217 CB_AB42_6 C_AB42_23 1 1.511642e-03 4.784156e-06 ; 3.831711e-01 1.194078e-01 2.128073e-03 2.302633e-05 0.000485 0.000060 True native_MD 7 52 218 CB_AB42_6 O_AB42_23 1 3.545442e-04 2.769923e-07 ; 3.034820e-01 1.134522e-01 1.780672e-03 1.223561e-04 0.000485 0.001191 True native_MD 7 52 219 CB_AB42_6 N_AB42_24 1 9.284993e-04 1.891406e-06 ; 3.560414e-01 1.139510e-01 1.807454e-03 0.000000e+00 0.000485 0.000060 True native_MD 7 52 220 @@ -14487,9 +14487,9 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_6 O_AB42_28 1 4.303545e-04 2.937502e-07 ; 2.967281e-01 1.576212e-01 6.677795e-03 6.084543e-04 0.000485 0.001191 True native_MD 7 52 258 CB_AB42_6 N_AB42_29 1 6.609368e-04 1.239891e-06 ; 3.511860e-01 8.807984e-02 4.337944e-03 3.108420e-04 0.000485 0.000060 True native_MD 7 52 259 CB_AB42_6 CA_AB42_29 1 2.143242e-03 7.031697e-06 ; 3.854767e-01 1.633135e-01 8.283182e-03 1.245126e-03 0.000485 0.001190 True native_MD 7 52 261 - CB_AB42_6 C_AB42_29 1 0.000000e+00 6.315389e-06 ; 3.284947e-01 -6.315389e-06 3.597466e-03 6.653237e-04 0.000485 0.000060 True native_MD 7 52 262 + CB_AB42_6 C_AB42_29 1 0.000000e+00 6.315283e-06 ; 3.284942e-01 -6.315283e-06 3.597466e-03 6.653237e-04 0.000485 0.000060 True native_MD 7 52 262 CB_AB42_6 O_AB42_29 1 6.551916e-04 8.827461e-07 ; 3.323364e-01 1.215740e-01 2.270600e-03 4.824786e-04 0.000485 0.001191 True native_MD 7 52 263 - CB_AB42_6 N_AB42_30 1 0.000000e+00 3.669737e-06 ; 3.139650e-01 -3.669737e-06 2.069177e-03 3.432333e-04 0.000485 0.000060 True native_MD 7 52 264 + CB_AB42_6 N_AB42_30 1 0.000000e+00 3.669689e-06 ; 3.139647e-01 -3.669689e-06 2.069177e-03 3.432333e-04 0.000485 0.000060 True native_MD 7 52 264 CB_AB42_6 CA_AB42_30 1 2.791768e-03 1.236130e-05 ; 4.052262e-01 1.576284e-01 8.547744e-03 1.306530e-03 0.000485 0.001021 True native_MD 7 52 266 CB_AB42_6 CB_AB42_30 1 1.400221e-03 3.110629e-06 ; 3.612229e-01 1.575741e-01 6.668396e-03 9.888297e-04 0.000485 0.002332 True native_MD 7 52 267 CB_AB42_6 C_AB42_30 1 1.047723e-03 3.219271e-06 ; 3.812868e-01 8.524635e-02 3.281288e-03 2.559328e-04 0.000485 0.000060 True native_MD 7 52 268 @@ -14535,7 +14535,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_6 CB_AB42_36 1 5.016634e-03 3.105515e-05 ; 4.285027e-01 2.025961e-01 2.565416e-02 5.876858e-04 0.000485 0.001021 True native_MD 7 52 314 CB_AB42_6 CG1_AB42_36 1 1.704832e-03 3.749713e-06 ; 3.606224e-01 1.937783e-01 1.970404e-02 4.151040e-04 0.000485 0.002332 True native_MD 7 52 315 CB_AB42_6 CG2_AB42_36 1 1.621891e-03 3.420443e-06 ; 3.581048e-01 1.922654e-01 1.883186e-02 3.689468e-04 0.000485 0.002332 True native_MD 7 52 316 - CB_AB42_6 C_AB42_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 317 + CB_AB42_6 C_AB42_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 317 CB_AB42_6 O_AB42_36 1 4.595771e-04 3.737328e-07 ; 3.055159e-01 1.412848e-01 4.095577e-03 1.909094e-04 0.000485 0.001191 True native_MD 7 52 318 CB_AB42_6 N_AB42_37 1 1.107905e-03 1.958321e-06 ; 3.477204e-01 1.566972e-01 6.495684e-03 4.999894e-05 0.000485 0.000060 True native_MD 7 52 319 CB_AB42_6 CA_AB42_37 1 2.266644e-03 7.039498e-06 ; 3.819675e-01 1.824589e-01 1.404238e-02 3.992692e-04 0.000485 0.001190 True native_MD 7 52 321 @@ -14570,21 +14570,21 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_6 N_AB42_42 1 8.147085e-04 2.271089e-06 ; 3.751503e-01 7.306516e-02 1.291633e-03 1.450560e-04 0.000485 0.000060 True native_MD 7 52 354 CB_AB42_6 CA_AB42_42 1 3.639854e-03 2.153238e-05 ; 4.252732e-01 1.538212e-01 5.959993e-03 8.542557e-04 0.000485 0.001021 True native_MD 7 52 356 CB_AB42_6 CB_AB42_42 1 1.384147e-03 3.090515e-06 ; 3.615276e-01 1.549792e-01 6.170166e-03 5.994141e-04 0.000485 0.002332 True native_MD 7 52 357 - CB_AB42_6 C_AB42_42 1 0.000000e+00 6.331022e-06 ; 3.285624e-01 -6.331022e-06 9.598511e-04 4.958688e-04 0.000485 0.000060 True native_MD 7 52 358 - CB_AB42_6 O1_AB42_42 1 0.000000e+00 1.631198e-06 ; 2.934521e-01 -1.631198e-06 6.424542e-04 3.639933e-04 0.000485 0.000060 True native_MD 7 52 359 - CB_AB42_6 O2_AB42_42 1 0.000000e+00 1.631198e-06 ; 2.934521e-01 -1.631198e-06 6.424542e-04 3.639933e-04 0.000485 0.000060 True native_MD 7 52 360 - CG_AB42_6 O_AB42_6 1 0.000000e+00 6.820334e-07 ; 2.728845e-01 -6.820334e-07 8.468445e-01 6.716094e-01 0.000485 0.000060 True native_MD 4 53 59 - CG_AB42_6 N_AB42_7 1 0.000000e+00 1.359924e-06 ; 2.890377e-01 -1.359924e-06 7.829440e-01 6.846616e-01 0.000485 0.000060 True native_MD 4 53 60 - CG_AB42_6 CA_AB42_7 1 0.000000e+00 1.077865e-05 ; 3.434594e-01 -1.077865e-05 5.348660e-01 3.606980e-01 0.000485 0.000060 True native_MD 5 53 62 - CG_AB42_6 CB_AB42_7 1 0.000000e+00 5.403397e-06 ; 3.242529e-01 -5.403397e-06 2.144484e-01 6.753172e-02 0.000485 0.000060 True native_MD 6 53 63 + CB_AB42_6 C_AB42_42 1 0.000000e+00 6.330916e-06 ; 3.285619e-01 -6.330916e-06 9.598511e-04 4.958688e-04 0.000485 0.000060 True native_MD 7 52 358 + CB_AB42_6 O1_AB42_42 1 0.000000e+00 1.631192e-06 ; 2.934520e-01 -1.631192e-06 6.424542e-04 3.639933e-04 0.000485 0.000060 True native_MD 7 52 359 + CB_AB42_6 O2_AB42_42 1 0.000000e+00 1.631192e-06 ; 2.934520e-01 -1.631192e-06 6.424542e-04 3.639933e-04 0.000485 0.000060 True native_MD 7 52 360 + CG_AB42_6 O_AB42_6 1 0.000000e+00 6.820303e-07 ; 2.728844e-01 -6.820303e-07 8.468445e-01 6.716094e-01 0.000485 0.000060 True native_MD 4 53 59 + CG_AB42_6 N_AB42_7 1 0.000000e+00 1.359905e-06 ; 2.890374e-01 -1.359905e-06 7.829440e-01 6.846616e-01 0.000485 0.000060 True native_MD 4 53 60 + CG_AB42_6 CA_AB42_7 1 0.000000e+00 1.077859e-05 ; 3.434592e-01 -1.077859e-05 5.348660e-01 3.606980e-01 0.000485 0.000060 True native_MD 5 53 62 + CG_AB42_6 CB_AB42_7 1 0.000000e+00 5.403306e-06 ; 3.242525e-01 -5.403306e-06 2.144484e-01 6.753172e-02 0.000485 0.000060 True native_MD 6 53 63 CG_AB42_6 CG_AB42_7 1 2.605707e-03 1.230374e-05 ; 4.095925e-01 1.379602e-01 5.966616e-02 3.485626e-02 0.000485 0.002166 True native_MD 7 53 64 CG_AB42_6 OD1_AB42_7 1 7.513789e-04 1.332586e-06 ; 3.479147e-01 1.059163e-01 1.147061e-02 1.748305e-02 0.000485 0.002166 True native_MD 7 53 65 CG_AB42_6 OD2_AB42_7 1 7.513789e-04 1.332586e-06 ; 3.479147e-01 1.059163e-01 1.147061e-02 1.748305e-02 0.000485 0.002166 True native_MD 7 53 66 - CG_AB42_6 C_AB42_7 1 0.000000e+00 2.040541e-06 ; 2.989788e-01 -2.040541e-06 2.871720e-01 7.242725e-02 0.000485 0.000060 True native_MD 6 53 67 + CG_AB42_6 C_AB42_7 1 0.000000e+00 2.040505e-06 ; 2.989784e-01 -2.040505e-06 2.871720e-01 7.242725e-02 0.000485 0.000060 True native_MD 6 53 67 CG_AB42_6 O_AB42_7 1 9.342757e-04 1.430971e-06 ; 3.395153e-01 1.524963e-01 1.533428e-01 5.798383e-02 0.000485 0.002166 True native_MD 7 53 68 CG_AB42_6 N_AB42_8 1 1.169460e-03 2.006485e-06 ; 3.459992e-01 1.704019e-01 1.622196e-01 3.589451e-02 0.000485 0.002166 True native_MD 7 53 69 CG_AB42_6 CA_AB42_8 1 3.581165e-03 2.159804e-05 ; 4.266434e-01 1.484480e-01 1.966296e-01 5.187495e-02 0.000485 0.001339 True native_MD 7 53 71 - CG_AB42_6 CB_AB42_8 1 0.000000e+00 5.638515e-06 ; 3.254059e-01 -5.638515e-06 1.446025e-01 3.480614e-02 0.000485 0.000060 True native_MD 7 53 72 + CG_AB42_6 CB_AB42_8 1 0.000000e+00 5.638421e-06 ; 3.254054e-01 -5.638421e-06 1.446025e-01 3.480614e-02 0.000485 0.000060 True native_MD 7 53 72 CG_AB42_6 OG_AB42_8 1 8.474051e-04 1.270252e-06 ; 3.382983e-01 1.413293e-01 2.533489e-02 1.338118e-02 0.000485 0.002166 True native_MD 7 53 73 CG_AB42_6 C_AB42_8 1 2.653702e-03 1.058158e-05 ; 3.982139e-01 1.663771e-01 5.382567e-02 1.343436e-02 0.000485 0.002166 True native_MD 7 53 74 CG_AB42_6 O_AB42_8 1 6.779920e-04 7.107369e-07 ; 3.187235e-01 1.616889e-01 5.336925e-02 1.532712e-02 0.000485 0.002166 True native_MD 7 53 75 @@ -14594,7 +14594,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CG_AB42_6 O_AB42_9 1 5.757519e-04 6.779738e-07 ; 3.249598e-01 1.222356e-01 1.026486e-02 9.600277e-03 0.000485 0.002166 True native_MD 7 53 80 CG_AB42_6 N_AB42_10 1 5.786416e-04 6.176791e-07 ; 3.196874e-01 1.355178e-01 8.306197e-03 5.220404e-03 0.000485 0.002166 True native_MD 7 53 81 CG_AB42_6 CA_AB42_10 1 1.697176e-03 6.153507e-06 ; 3.919518e-01 1.170229e-01 2.700244e-02 1.824452e-02 0.000485 0.001339 True native_MD 7 53 83 - CG_AB42_6 CB_AB42_10 1 0.000000e+00 6.239082e-06 ; 3.281621e-01 -6.239082e-06 3.129227e-02 1.631292e-02 0.000485 0.000060 True native_MD 7 53 84 + CG_AB42_6 CB_AB42_10 1 0.000000e+00 6.238978e-06 ; 3.281616e-01 -6.238978e-06 3.129227e-02 1.631292e-02 0.000485 0.000060 True native_MD 7 53 84 CG_AB42_6 CG_AB42_10 1 1.587907e-03 3.874454e-06 ; 3.669140e-01 1.626970e-01 1.530056e-02 6.513990e-03 0.000485 0.003309 True native_MD 7 53 85 CG_AB42_6 CD1_AB42_10 1 9.957905e-04 1.635215e-06 ; 3.434798e-01 1.516006e-01 2.214669e-02 1.314209e-02 0.000485 0.003309 True native_MD 7 53 86 CG_AB42_6 CD2_AB42_10 1 9.957905e-04 1.635215e-06 ; 3.434798e-01 1.516006e-01 2.214669e-02 1.314209e-02 0.000485 0.003309 True native_MD 7 53 87 @@ -14606,8 +14606,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CG_AB42_6 O_AB42_10 1 3.912707e-04 3.484221e-07 ; 3.101735e-01 1.098472e-01 9.509381e-03 1.288520e-02 0.000485 0.002166 True native_MD 7 53 93 CG_AB42_6 N_AB42_11 1 1.364319e-03 2.891661e-06 ; 3.584032e-01 1.609254e-01 7.371867e-03 1.208975e-03 0.000485 0.002166 True native_MD 7 53 94 CG_AB42_6 CA_AB42_11 1 2.044325e-03 8.531236e-06 ; 4.012456e-01 1.224695e-01 2.263485e-02 1.299330e-02 0.000485 0.001339 True native_MD 7 53 96 - CG_AB42_6 CB_AB42_11 1 0.000000e+00 6.239142e-06 ; 3.281623e-01 -6.239142e-06 2.425079e-02 9.280908e-03 0.000485 0.000060 True native_MD 7 53 97 - CG_AB42_6 CG_AB42_11 1 0.000000e+00 6.278112e-06 ; 3.283327e-01 -6.278112e-06 2.139531e-02 1.257786e-02 0.000485 0.000060 True native_MD 7 53 98 + CG_AB42_6 CB_AB42_11 1 0.000000e+00 6.239038e-06 ; 3.281619e-01 -6.239038e-06 2.425079e-02 9.280908e-03 0.000485 0.000060 True native_MD 7 53 97 + CG_AB42_6 CG_AB42_11 1 0.000000e+00 6.278006e-06 ; 3.283322e-01 -6.278006e-06 2.139531e-02 1.257786e-02 0.000485 0.000060 True native_MD 7 53 98 CG_AB42_6 CD_AB42_11 1 1.797759e-03 7.432095e-06 ; 4.006176e-01 1.087155e-01 6.558123e-03 9.192113e-03 0.000485 0.002166 True native_MD 7 53 99 CG_AB42_6 OE1_AB42_11 1 5.257965e-04 9.111414e-07 ; 3.465730e-01 7.585594e-02 1.690618e-03 6.335196e-03 0.000485 0.002166 True native_MD 7 53 100 CG_AB42_6 OE2_AB42_11 1 5.257965e-04 9.111414e-07 ; 3.465730e-01 7.585594e-02 1.690618e-03 6.335196e-03 0.000485 0.002166 True native_MD 7 53 101 @@ -14615,14 +14615,14 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CG_AB42_6 O_AB42_11 1 3.592164e-04 2.244368e-07 ; 2.923858e-01 1.437336e-01 4.406979e-03 2.087312e-03 0.000485 0.002166 True native_MD 7 53 103 CG_AB42_6 N_AB42_12 1 1.444478e-03 3.663455e-06 ; 3.692864e-01 1.423871e-01 4.232934e-03 2.235000e-04 0.000485 0.002166 True native_MD 7 53 104 CG_AB42_6 CA_AB42_12 1 2.002687e-03 6.001302e-06 ; 3.796984e-01 1.670786e-01 1.741644e-02 2.631068e-03 0.000485 0.001339 True native_MD 7 53 106 - CG_AB42_6 CB_AB42_12 1 0.000000e+00 1.274631e-05 ; 3.482922e-01 -1.274631e-05 2.930507e-02 5.894043e-03 0.000485 0.000060 True native_MD 7 53 107 - CG_AB42_6 CG1_AB42_12 1 0.000000e+00 4.625424e-06 ; 3.200793e-01 -4.625424e-06 2.685758e-02 5.552188e-03 0.000485 0.000060 True native_MD 7 53 108 - CG_AB42_6 CG2_AB42_12 1 0.000000e+00 4.625642e-06 ; 3.200806e-01 -4.625642e-06 2.806518e-02 6.805822e-03 0.000485 0.000060 True native_MD 7 53 109 + CG_AB42_6 CB_AB42_12 1 0.000000e+00 1.274624e-05 ; 3.482920e-01 -1.274624e-05 2.930507e-02 5.894043e-03 0.000485 0.000060 True native_MD 7 53 107 + CG_AB42_6 CG1_AB42_12 1 0.000000e+00 4.625363e-06 ; 3.200790e-01 -4.625363e-06 2.685758e-02 5.552188e-03 0.000485 0.000060 True native_MD 7 53 108 + CG_AB42_6 CG2_AB42_12 1 0.000000e+00 4.625581e-06 ; 3.200802e-01 -4.625581e-06 2.806518e-02 6.805822e-03 0.000485 0.000060 True native_MD 7 53 109 CG_AB42_6 C_AB42_12 1 1.815987e-03 5.926114e-06 ; 3.851320e-01 1.391219e-01 3.838876e-03 5.657084e-04 0.000485 0.002166 True native_MD 7 53 110 CG_AB42_6 O_AB42_12 1 5.052923e-04 5.585167e-07 ; 3.215503e-01 1.142850e-01 1.825608e-03 1.459070e-03 0.000485 0.002166 True native_MD 7 53 111 CG_AB42_6 N_AB42_13 1 5.649743e-04 5.949777e-07 ; 3.189667e-01 1.341210e-01 3.305288e-03 5.926720e-06 0.000485 0.002166 True native_MD 7 53 112 CG_AB42_6 CA_AB42_13 1 1.500507e-03 4.117459e-06 ; 3.741668e-01 1.367057e-01 8.755258e-03 3.282373e-03 0.000485 0.001339 True native_MD 7 53 114 - CG_AB42_6 CB_AB42_13 1 0.000000e+00 6.306250e-06 ; 3.284550e-01 -6.306250e-06 8.798698e-03 4.423665e-03 0.000485 0.000060 True native_MD 7 53 115 + CG_AB42_6 CB_AB42_13 1 0.000000e+00 6.306144e-06 ; 3.284546e-01 -6.306144e-06 8.798698e-03 4.423665e-03 0.000485 0.000060 True native_MD 7 53 115 CG_AB42_6 CG_AB42_13 1 1.600012e-03 4.092994e-06 ; 3.698165e-01 1.563672e-01 7.222947e-03 2.432416e-03 0.000485 0.002166 True native_MD 7 53 116 CG_AB42_6 ND1_AB42_13 1 9.127582e-04 1.632048e-06 ; 3.483877e-01 1.276200e-01 5.217092e-03 4.153151e-03 0.000485 0.002166 True native_MD 7 53 117 CG_AB42_6 CD2_AB42_13 1 7.703346e-04 9.135087e-07 ; 3.253411e-01 1.624000e-01 1.132190e-02 4.863165e-03 0.000485 0.003309 True native_MD 7 53 118 @@ -14632,7 +14632,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CG_AB42_6 O_AB42_13 1 4.970510e-04 4.508507e-07 ; 3.111277e-01 1.369964e-01 3.602301e-03 1.515194e-03 0.000485 0.002166 True native_MD 7 53 122 CG_AB42_6 N_AB42_14 1 1.260323e-03 3.331993e-06 ; 3.718522e-01 1.191790e-01 2.113551e-03 2.745504e-04 0.000485 0.002166 True native_MD 7 53 123 CG_AB42_6 CA_AB42_14 1 2.556820e-03 9.895732e-06 ; 3.962397e-01 1.651553e-01 9.854609e-03 1.576918e-03 0.000485 0.001339 True native_MD 7 53 125 - CG_AB42_6 CB_AB42_14 1 0.000000e+00 6.273763e-06 ; 3.283137e-01 -6.273763e-06 1.190892e-02 2.404970e-03 0.000485 0.000060 True native_MD 7 53 126 + CG_AB42_6 CB_AB42_14 1 0.000000e+00 6.273658e-06 ; 3.283132e-01 -6.273658e-06 1.190892e-02 2.404970e-03 0.000485 0.000060 True native_MD 7 53 126 CG_AB42_6 CG_AB42_14 1 1.179227e-03 2.144145e-06 ; 3.493624e-01 1.621365e-01 7.643942e-03 1.344932e-03 0.000485 0.002166 True native_MD 7 53 127 CG_AB42_6 ND1_AB42_14 1 1.334312e-03 2.848155e-06 ; 3.588264e-01 1.562756e-01 7.271367e-03 2.455489e-03 0.000485 0.002166 True native_MD 7 53 128 CG_AB42_6 CD2_AB42_14 1 9.338749e-04 1.194231e-06 ; 3.294579e-01 1.825699e-01 1.408909e-02 2.797446e-03 0.000485 0.003309 True native_MD 7 53 129 @@ -14642,8 +14642,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CG_AB42_6 O_AB42_14 1 4.244914e-04 3.318265e-07 ; 3.035105e-01 1.357584e-01 3.471285e-03 6.095519e-04 0.000485 0.002166 True native_MD 7 53 133 CG_AB42_6 N_AB42_15 1 6.879787e-04 1.203407e-06 ; 3.471146e-01 9.832807e-02 1.132454e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 53 134 CG_AB42_6 CA_AB42_15 1 2.144703e-03 7.594136e-06 ; 3.904079e-01 1.514244e-01 5.547480e-03 9.962592e-04 0.000485 0.001339 True native_MD 7 53 136 - CG_AB42_6 CB_AB42_15 1 0.000000e+00 6.306137e-06 ; 3.284546e-01 -6.306137e-06 5.278765e-03 8.859974e-04 0.000485 0.000060 True native_MD 7 53 137 - CG_AB42_6 CG_AB42_15 1 0.000000e+00 6.300411e-06 ; 3.284297e-01 -6.300411e-06 7.335664e-03 2.038803e-03 0.000485 0.000060 True native_MD 7 53 138 + CG_AB42_6 CB_AB42_15 1 0.000000e+00 6.306032e-06 ; 3.284541e-01 -6.306032e-06 5.278765e-03 8.859974e-04 0.000485 0.000060 True native_MD 7 53 137 + CG_AB42_6 CG_AB42_15 1 0.000000e+00 6.300305e-06 ; 3.284292e-01 -6.300305e-06 7.335664e-03 2.038803e-03 0.000485 0.000060 True native_MD 7 53 138 CG_AB42_6 CD_AB42_15 1 1.281150e-03 2.585267e-06 ; 3.554820e-01 1.587211e-01 6.901265e-03 1.866538e-03 0.000485 0.002166 True native_MD 7 53 139 CG_AB42_6 OE1_AB42_15 1 6.581190e-04 7.320850e-07 ; 3.218915e-01 1.479065e-01 4.993156e-03 1.840581e-03 0.000485 0.002166 True native_MD 7 53 140 CG_AB42_6 NE2_AB42_15 1 5.403034e-04 4.436254e-07 ; 3.060059e-01 1.645125e-01 1.044768e-02 2.757363e-03 0.000485 0.002166 True native_MD 7 53 141 @@ -14654,22 +14654,22 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CG_AB42_6 CB_AB42_16 1 1.262534e-03 3.750860e-06 ; 3.791531e-01 1.062417e-01 1.400382e-02 5.827179e-04 0.000485 0.000060 True native_MD 7 53 147 CG_AB42_6 CG_AB42_16 1 9.469039e-04 2.420631e-06 ; 3.697746e-01 9.260260e-02 1.582103e-02 9.901699e-04 0.000485 0.000060 True native_MD 7 53 148 CG_AB42_6 CD_AB42_16 1 9.164034e-04 2.620091e-06 ; 3.767370e-01 8.013034e-02 1.962907e-02 1.784319e-03 0.000485 0.000060 True native_MD 7 53 149 - CG_AB42_6 CE_AB42_16 1 0.000000e+00 6.235158e-06 ; 3.281449e-01 -6.235158e-06 1.812208e-02 2.523209e-03 0.000485 0.000060 True native_MD 7 53 150 + CG_AB42_6 CE_AB42_16 1 0.000000e+00 6.235054e-06 ; 3.281444e-01 -6.235054e-06 1.812208e-02 2.523209e-03 0.000485 0.000060 True native_MD 7 53 150 CG_AB42_6 NZ_AB42_16 1 6.167849e-04 5.733419e-07 ; 3.124017e-01 1.658799e-01 8.550061e-03 2.012808e-03 0.000485 0.002166 True native_MD 7 53 151 CG_AB42_6 C_AB42_16 1 1.840354e-03 7.422009e-06 ; 3.989667e-01 1.140831e-01 1.814613e-03 7.148939e-05 0.000485 0.002166 True native_MD 7 53 152 CG_AB42_6 O_AB42_16 1 6.256385e-04 1.187550e-06 ; 3.518747e-01 8.240152e-02 7.031185e-04 3.093783e-04 0.000485 0.002166 True native_MD 7 53 153 CG_AB42_6 N_AB42_17 1 6.036406e-04 7.930837e-07 ; 3.309457e-01 1.148624e-01 1.857428e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 53 154 CG_AB42_6 CA_AB42_17 1 3.415349e-03 1.918515e-05 ; 4.216205e-01 1.520004e-01 5.643938e-03 5.993277e-04 0.000485 0.001339 True native_MD 7 53 156 CG_AB42_6 CB_AB42_17 1 1.080777e-03 3.157029e-06 ; 3.780858e-01 9.249828e-02 7.453944e-03 4.679688e-04 0.000485 0.000060 True native_MD 7 53 157 - CG_AB42_6 CG_AB42_17 1 0.000000e+00 1.293027e-05 ; 3.487083e-01 -1.293027e-05 1.090726e-02 1.590826e-03 0.000485 0.000060 True native_MD 7 53 158 - CG_AB42_6 CD1_AB42_17 1 0.000000e+00 4.684615e-06 ; 3.204187e-01 -4.684615e-06 1.088097e-02 2.099924e-03 0.000485 0.000060 True native_MD 7 53 159 - CG_AB42_6 CD2_AB42_17 1 0.000000e+00 4.696639e-06 ; 3.204871e-01 -4.696639e-06 7.685573e-03 1.448658e-03 0.000485 0.000060 True native_MD 7 53 160 + CG_AB42_6 CG_AB42_17 1 0.000000e+00 1.293020e-05 ; 3.487082e-01 -1.293020e-05 1.090726e-02 1.590826e-03 0.000485 0.000060 True native_MD 7 53 158 + CG_AB42_6 CD1_AB42_17 1 0.000000e+00 4.684554e-06 ; 3.204183e-01 -4.684554e-06 1.088097e-02 2.099924e-03 0.000485 0.000060 True native_MD 7 53 159 + CG_AB42_6 CD2_AB42_17 1 0.000000e+00 4.696578e-06 ; 3.204868e-01 -4.696578e-06 7.685573e-03 1.448658e-03 0.000485 0.000060 True native_MD 7 53 160 CG_AB42_6 C_AB42_17 1 1.784596e-03 6.574493e-06 ; 3.929950e-01 1.211038e-01 2.238870e-03 1.620628e-04 0.000485 0.002166 True native_MD 7 53 161 CG_AB42_6 O_AB42_17 1 5.039703e-04 4.823241e-07 ; 3.139224e-01 1.316470e-01 3.069415e-03 3.274387e-04 0.000485 0.002166 True native_MD 7 53 162 CG_AB42_6 CA_AB42_18 1 2.364378e-03 9.416272e-06 ; 3.981319e-01 1.484208e-01 5.070593e-03 8.629545e-04 0.000485 0.001339 True native_MD 7 53 165 - CG_AB42_6 CB_AB42_18 1 0.000000e+00 1.293562e-05 ; 3.487203e-01 -1.293562e-05 1.071068e-02 1.804447e-03 0.000485 0.000060 True native_MD 7 53 166 - CG_AB42_6 CG1_AB42_18 1 0.000000e+00 4.695304e-06 ; 3.204795e-01 -4.695304e-06 8.192359e-03 1.672859e-03 0.000485 0.000060 True native_MD 7 53 167 - CG_AB42_6 CG2_AB42_18 1 0.000000e+00 4.692608e-06 ; 3.204642e-01 -4.692608e-06 8.707048e-03 1.617055e-03 0.000485 0.000060 True native_MD 7 53 168 + CG_AB42_6 CB_AB42_18 1 0.000000e+00 1.293555e-05 ; 3.487202e-01 -1.293555e-05 1.071068e-02 1.804447e-03 0.000485 0.000060 True native_MD 7 53 166 + CG_AB42_6 CG1_AB42_18 1 0.000000e+00 4.695242e-06 ; 3.204792e-01 -4.695242e-06 8.192359e-03 1.672859e-03 0.000485 0.000060 True native_MD 7 53 167 + CG_AB42_6 CG2_AB42_18 1 0.000000e+00 4.692546e-06 ; 3.204639e-01 -4.692546e-06 8.707048e-03 1.617055e-03 0.000485 0.000060 True native_MD 7 53 168 CG_AB42_6 C_AB42_18 1 1.949297e-03 8.240687e-06 ; 4.021125e-01 1.152744e-01 1.880469e-03 2.390904e-04 0.000485 0.002166 True native_MD 7 53 169 CG_AB42_6 O_AB42_18 1 7.803382e-04 1.236150e-06 ; 3.414271e-01 1.231501e-01 2.380257e-03 3.004017e-04 0.000485 0.002166 True native_MD 7 53 170 CG_AB42_6 N_AB42_19 1 8.411692e-04 1.683428e-06 ; 3.549920e-01 1.050781e-01 1.385954e-03 1.243166e-04 0.000485 0.002166 True native_MD 7 53 171 @@ -14685,7 +14685,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CG_AB42_6 O_AB42_19 1 8.122801e-04 1.279274e-06 ; 3.410957e-01 1.289402e-01 2.830582e-03 6.614841e-04 0.000485 0.002166 True native_MD 7 53 182 CG_AB42_6 N_AB42_20 1 3.782981e-04 2.662462e-07 ; 2.982462e-01 1.343770e-01 3.330710e-03 9.990847e-05 0.000485 0.002166 True native_MD 7 53 183 CG_AB42_6 CA_AB42_20 1 1.462004e-03 3.254039e-06 ; 3.613369e-01 1.642156e-01 8.376344e-03 1.378595e-03 0.000485 0.001339 True native_MD 7 53 185 - CG_AB42_6 CB_AB42_20 1 0.000000e+00 6.266902e-06 ; 3.282838e-01 -6.266902e-06 1.209400e-02 1.506709e-03 0.000485 0.000060 True native_MD 7 53 186 + CG_AB42_6 CB_AB42_20 1 0.000000e+00 6.266796e-06 ; 3.282833e-01 -6.266796e-06 1.209400e-02 1.506709e-03 0.000485 0.000060 True native_MD 7 53 186 CG_AB42_6 CG_AB42_20 1 1.426670e-03 3.088191e-06 ; 3.596638e-01 1.647718e-01 8.271186e-03 7.205580e-04 0.000485 0.003309 True native_MD 7 53 187 CG_AB42_6 CD1_AB42_20 1 1.028036e-03 1.531617e-06 ; 3.379535e-01 1.725069e-01 1.042553e-02 1.131273e-03 0.000485 0.003309 True native_MD 7 53 188 CG_AB42_6 CD2_AB42_20 1 1.028036e-03 1.531617e-06 ; 3.379535e-01 1.725069e-01 1.042553e-02 1.131273e-03 0.000485 0.003309 True native_MD 7 53 189 @@ -14696,18 +14696,18 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CG_AB42_6 O_AB42_20 1 8.158861e-04 1.538531e-06 ; 3.514898e-01 1.081665e-01 1.520155e-03 3.817560e-04 0.000485 0.002166 True native_MD 7 53 194 CG_AB42_6 N_AB42_21 1 6.287889e-04 8.630756e-07 ; 3.333681e-01 1.145252e-01 1.838776e-03 8.469251e-05 0.000485 0.002166 True native_MD 7 53 195 CG_AB42_6 CA_AB42_21 1 2.281154e-03 8.829172e-06 ; 3.962424e-01 1.473429e-01 4.909647e-03 1.176593e-03 0.000485 0.001339 True native_MD 7 53 197 - CG_AB42_6 CB_AB42_21 1 0.000000e+00 4.707055e-06 ; 3.205463e-01 -4.707055e-06 5.235032e-03 1.201872e-03 0.000485 0.000060 True native_MD 7 53 198 + CG_AB42_6 CB_AB42_21 1 0.000000e+00 4.706993e-06 ; 3.205460e-01 -4.706993e-06 5.235032e-03 1.201872e-03 0.000485 0.000060 True native_MD 7 53 198 CG_AB42_6 C_AB42_21 1 1.619447e-03 5.931756e-06 ; 3.926173e-01 1.105326e-01 1.631694e-03 2.782836e-04 0.000485 0.002166 True native_MD 7 53 199 CG_AB42_6 O_AB42_21 1 4.959584e-04 5.812425e-07 ; 3.247023e-01 1.057969e-01 1.416091e-03 4.680853e-04 0.000485 0.002166 True native_MD 7 53 200 CG_AB42_6 N_AB42_22 1 5.430855e-04 8.057036e-07 ; 3.377156e-01 9.151685e-02 9.236288e-04 3.027710e-05 0.000485 0.002166 True native_MD 7 53 201 CG_AB42_6 CA_AB42_22 1 2.843725e-03 1.408062e-05 ; 4.128469e-01 1.435798e-01 4.386740e-03 7.792763e-04 0.000485 0.001339 True native_MD 7 53 203 CG_AB42_6 CB_AB42_22 1 6.247378e-04 1.322606e-06 ; 3.583346e-01 7.377433e-02 4.672912e-03 5.137683e-04 0.000485 0.000060 True native_MD 7 53 204 - CG_AB42_6 CG_AB42_22 1 0.000000e+00 6.316624e-06 ; 3.285000e-01 -6.316624e-06 3.718554e-03 9.813493e-04 0.000485 0.000060 True native_MD 7 53 205 + CG_AB42_6 CG_AB42_22 1 0.000000e+00 6.316518e-06 ; 3.284996e-01 -6.316518e-06 3.718554e-03 9.813493e-04 0.000485 0.000060 True native_MD 7 53 205 CG_AB42_6 CD_AB42_22 1 1.245614e-03 4.124187e-06 ; 3.860638e-01 9.405219e-02 9.964339e-04 1.113175e-03 0.000485 0.002166 True native_MD 7 53 206 CG_AB42_6 C_AB42_22 1 1.620770e-03 6.464438e-06 ; 3.982308e-01 1.015903e-01 1.248586e-03 1.929815e-04 0.000485 0.002166 True native_MD 7 53 209 CG_AB42_6 O_AB42_22 1 4.276895e-04 4.517778e-07 ; 3.191288e-01 1.012214e-01 1.234879e-03 4.643649e-04 0.000485 0.002166 True native_MD 7 53 210 CG_AB42_6 CA_AB42_23 1 2.720864e-03 1.521090e-05 ; 4.212837e-01 1.216742e-01 2.277420e-03 4.185999e-04 0.000485 0.001339 True native_MD 7 53 213 - CG_AB42_6 CB_AB42_23 1 0.000000e+00 6.324568e-06 ; 3.285344e-01 -6.324568e-06 1.957376e-03 4.744547e-04 0.000485 0.000060 True native_MD 7 53 214 + CG_AB42_6 CB_AB42_23 1 0.000000e+00 6.324462e-06 ; 3.285340e-01 -6.324462e-06 1.957376e-03 4.744547e-04 0.000485 0.000060 True native_MD 7 53 214 CG_AB42_6 C_AB42_23 1 1.267015e-03 3.483608e-06 ; 3.742897e-01 1.152058e-01 1.876616e-03 4.195112e-05 0.000485 0.002166 True native_MD 7 53 218 CG_AB42_6 O_AB42_23 1 4.677922e-04 4.407546e-07 ; 3.131055e-01 1.241221e-01 2.450512e-03 1.244637e-04 0.000485 0.002166 True native_MD 7 53 219 CG_AB42_6 N_AB42_24 1 5.135808e-04 6.445193e-07 ; 3.284262e-01 1.023108e-01 1.275802e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 53 220 @@ -14827,12 +14827,12 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CG_AB42_6 O_AB42_41 1 4.520635e-04 4.922188e-07 ; 3.207449e-01 1.037960e-01 1.333785e-03 1.250964e-04 0.000485 0.002166 True native_MD 7 53 353 CG_AB42_6 N_AB42_42 1 4.458162e-04 5.897893e-07 ; 3.313270e-01 8.424706e-02 7.430438e-04 1.000620e-04 0.000485 0.002166 True native_MD 7 53 354 CG_AB42_6 CA_AB42_42 1 3.711420e-03 2.353814e-05 ; 4.302346e-01 1.463013e-01 4.758968e-03 8.664890e-04 0.000485 0.001339 True native_MD 7 53 356 - CG_AB42_6 CB_AB42_42 1 0.000000e+00 4.704299e-06 ; 3.205307e-01 -4.704299e-06 5.274174e-03 6.578937e-04 0.000485 0.000060 True native_MD 7 53 357 - ND1_AB42_6 C_AB42_6 1 0.000000e+00 1.617732e-06 ; 2.932494e-01 -1.617732e-06 9.234972e-01 7.411647e-01 0.000485 0.000060 True native_MD 4 54 58 - ND1_AB42_6 O_AB42_6 1 0.000000e+00 6.203985e-07 ; 2.707390e-01 -6.203985e-07 2.431163e-01 2.284876e-01 0.000485 0.000060 True native_MD 5 54 59 - ND1_AB42_6 N_AB42_7 1 0.000000e+00 9.488138e-07 ; 2.804960e-01 -9.488138e-07 3.946335e-01 2.209406e-01 0.000485 0.000060 True native_MD 5 54 60 - ND1_AB42_6 CA_AB42_7 1 0.000000e+00 8.269649e-06 ; 3.359585e-01 -8.269649e-06 3.648031e-01 1.969868e-01 0.000485 0.000060 True native_MD 6 54 62 - ND1_AB42_6 CB_AB42_7 1 0.000000e+00 4.043127e-06 ; 3.165105e-01 -4.043127e-06 2.181316e-01 5.652280e-02 0.000485 0.000060 True native_MD 7 54 63 + CG_AB42_6 CB_AB42_42 1 0.000000e+00 4.704237e-06 ; 3.205303e-01 -4.704237e-06 5.274174e-03 6.578937e-04 0.000485 0.000060 True native_MD 7 53 357 + ND1_AB42_6 C_AB42_6 1 0.000000e+00 1.617702e-06 ; 2.932490e-01 -1.617702e-06 9.234972e-01 7.411647e-01 0.000485 0.000060 True native_MD 4 54 58 + ND1_AB42_6 O_AB42_6 1 0.000000e+00 6.203952e-07 ; 2.707389e-01 -6.203952e-07 2.431163e-01 2.284876e-01 0.000485 0.000060 True native_MD 5 54 59 + ND1_AB42_6 N_AB42_7 1 0.000000e+00 9.487998e-07 ; 2.804957e-01 -9.487998e-07 3.946335e-01 2.209406e-01 0.000485 0.000060 True native_MD 5 54 60 + ND1_AB42_6 CA_AB42_7 1 0.000000e+00 8.269601e-06 ; 3.359583e-01 -8.269601e-06 3.648031e-01 1.969868e-01 0.000485 0.000060 True native_MD 6 54 62 + ND1_AB42_6 CB_AB42_7 1 0.000000e+00 4.043057e-06 ; 3.165100e-01 -4.043057e-06 2.181316e-01 5.652280e-02 0.000485 0.000060 True native_MD 7 54 63 ND1_AB42_6 CG_AB42_7 1 1.639212e-03 4.228488e-06 ; 3.703323e-01 1.588640e-01 1.128788e-01 3.527720e-02 0.000485 0.002166 True native_MD 7 54 64 ND1_AB42_6 OD1_AB42_7 1 5.942437e-04 6.208363e-07 ; 3.185435e-01 1.421975e-01 4.419112e-02 2.274253e-02 0.000485 0.002166 True native_MD 7 54 65 ND1_AB42_6 OD2_AB42_7 1 5.942437e-04 6.208363e-07 ; 3.185435e-01 1.421975e-01 4.419112e-02 2.274253e-02 0.000485 0.002166 True native_MD 7 54 66 @@ -14840,7 +14840,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 ND1_AB42_6 O_AB42_7 1 5.742167e-04 6.705907e-07 ; 3.245116e-01 1.229233e-01 5.353520e-02 4.905028e-02 0.000485 0.002166 True native_MD 7 54 68 ND1_AB42_6 N_AB42_8 1 2.755034e-04 1.155380e-07 ; 2.735897e-01 1.642363e-01 1.219570e-01 3.245434e-02 0.000485 0.002166 True native_MD 7 54 69 ND1_AB42_6 CA_AB42_8 1 8.875298e-04 1.441452e-06 ; 3.428490e-01 1.366173e-01 1.338228e-01 5.030440e-02 0.000485 0.001339 True native_MD 7 54 71 - ND1_AB42_6 CB_AB42_8 1 0.000000e+00 4.482441e-06 ; 3.192429e-01 -4.482441e-06 1.053009e-01 3.478909e-02 0.000485 0.000060 True native_MD 7 54 72 + ND1_AB42_6 CB_AB42_8 1 0.000000e+00 4.482363e-06 ; 3.192424e-01 -4.482363e-06 1.053009e-01 3.478909e-02 0.000485 0.000060 True native_MD 7 54 72 ND1_AB42_6 OG_AB42_8 1 2.120627e-04 7.286612e-08 ; 2.646530e-01 1.542918e-01 4.273337e-02 1.531375e-02 0.000485 0.002166 True native_MD 7 54 73 ND1_AB42_6 C_AB42_8 1 1.065482e-03 1.737169e-06 ; 3.430700e-01 1.633766e-01 6.420349e-02 1.753035e-02 0.000485 0.002166 True native_MD 7 54 74 ND1_AB42_6 O_AB42_8 1 4.169682e-04 2.998627e-07 ; 2.993206e-01 1.449517e-01 2.357739e-02 1.117382e-02 0.000485 0.002166 True native_MD 7 54 75 @@ -14850,7 +14850,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 ND1_AB42_6 O_AB42_9 1 7.488252e-04 1.106123e-06 ; 3.374715e-01 1.267353e-01 9.495701e-03 7.762223e-03 0.000485 0.002166 True native_MD 7 54 80 ND1_AB42_6 N_AB42_10 1 3.153169e-04 1.868675e-07 ; 2.898218e-01 1.330150e-01 1.019944e-02 6.908985e-03 0.000485 0.002166 True native_MD 7 54 81 ND1_AB42_6 CA_AB42_10 1 7.916422e-04 1.407082e-06 ; 3.480421e-01 1.113470e-01 2.385665e-02 1.910356e-02 0.000485 0.001339 True native_MD 7 54 83 - ND1_AB42_6 CB_AB42_10 1 0.000000e+00 4.781380e-06 ; 3.209651e-01 -4.781380e-06 2.444489e-02 1.592175e-02 0.000485 0.000060 True native_MD 7 54 84 + ND1_AB42_6 CB_AB42_10 1 0.000000e+00 4.781297e-06 ; 3.209646e-01 -4.781297e-06 2.444489e-02 1.592175e-02 0.000485 0.000060 True native_MD 7 54 84 ND1_AB42_6 CG_AB42_10 1 1.235603e-03 2.448074e-06 ; 3.543977e-01 1.559098e-01 1.676005e-02 8.742504e-03 0.000485 0.003309 True native_MD 7 54 85 ND1_AB42_6 CD1_AB42_10 1 6.834525e-04 8.126518e-07 ; 3.254863e-01 1.436985e-01 1.855565e-02 1.394899e-02 0.000485 0.003309 True native_MD 7 54 86 ND1_AB42_6 CD2_AB42_10 1 6.834525e-04 8.126518e-07 ; 3.254863e-01 1.436985e-01 1.855565e-02 1.394899e-02 0.000485 0.003309 True native_MD 7 54 87 @@ -14862,8 +14862,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 ND1_AB42_6 O_AB42_10 1 5.789611e-04 8.075872e-07 ; 3.342643e-01 1.037646e-01 7.851415e-03 1.276288e-02 0.000485 0.002166 True native_MD 7 54 93 ND1_AB42_6 N_AB42_11 1 2.125126e-04 7.647923e-08 ; 2.667021e-01 1.476271e-01 7.832855e-03 3.426495e-03 0.000485 0.002166 True native_MD 7 54 94 ND1_AB42_6 CA_AB42_11 1 8.659172e-04 1.715494e-06 ; 3.543933e-01 1.092707e-01 1.898426e-02 1.617649e-02 0.000485 0.001339 True native_MD 7 54 96 - ND1_AB42_6 CB_AB42_11 1 0.000000e+00 4.777387e-06 ; 3.209427e-01 -4.777387e-06 2.060928e-02 1.125817e-02 0.000485 0.000060 True native_MD 7 54 97 - ND1_AB42_6 CG_AB42_11 1 0.000000e+00 4.802045e-06 ; 3.210804e-01 -4.802045e-06 1.820213e-02 1.396413e-02 0.000485 0.000060 True native_MD 7 54 98 + ND1_AB42_6 CB_AB42_11 1 0.000000e+00 4.777304e-06 ; 3.209423e-01 -4.777304e-06 2.060928e-02 1.125817e-02 0.000485 0.000060 True native_MD 7 54 97 + ND1_AB42_6 CG_AB42_11 1 0.000000e+00 4.801962e-06 ; 3.210800e-01 -4.801962e-06 1.820213e-02 1.396413e-02 0.000485 0.000060 True native_MD 7 54 98 ND1_AB42_6 CD_AB42_11 1 1.417621e-03 5.092850e-06 ; 3.913513e-01 9.865051e-02 5.622487e-03 1.065085e-02 0.000485 0.002166 True native_MD 7 54 99 ND1_AB42_6 OE1_AB42_11 1 5.019539e-04 7.769446e-07 ; 3.401113e-01 8.107326e-02 2.386972e-03 7.651781e-03 0.000485 0.002166 True native_MD 7 54 100 ND1_AB42_6 OE2_AB42_11 1 5.019539e-04 7.769446e-07 ; 3.401113e-01 8.107326e-02 2.386972e-03 7.651781e-03 0.000485 0.002166 True native_MD 7 54 101 @@ -14871,14 +14871,14 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 ND1_AB42_6 O_AB42_11 1 4.891941e-04 4.234465e-07 ; 3.087116e-01 1.412876e-01 7.417601e-03 3.922754e-03 0.000485 0.002166 True native_MD 7 54 103 ND1_AB42_6 N_AB42_12 1 2.675616e-04 1.309261e-07 ; 2.807159e-01 1.366977e-01 3.570248e-03 1.192049e-03 0.000485 0.002166 True native_MD 7 54 104 ND1_AB42_6 CA_AB42_12 1 1.496330e-03 3.926290e-06 ; 3.713863e-01 1.425648e-01 1.630996e-02 5.131345e-03 0.000485 0.001339 True native_MD 7 54 106 - ND1_AB42_6 CB_AB42_12 1 0.000000e+00 9.744552e-06 ; 3.405847e-01 -9.744552e-06 2.622009e-02 6.824907e-03 0.000485 0.000060 True native_MD 7 54 107 - ND1_AB42_6 CG1_AB42_12 1 0.000000e+00 3.543473e-06 ; 3.130503e-01 -3.543473e-06 2.155600e-02 6.313805e-03 0.000485 0.000060 True native_MD 7 54 108 - ND1_AB42_6 CG2_AB42_12 1 0.000000e+00 3.549858e-06 ; 3.130972e-01 -3.549858e-06 2.033567e-02 6.867976e-03 0.000485 0.000060 True native_MD 7 54 109 + ND1_AB42_6 CB_AB42_12 1 0.000000e+00 9.744496e-06 ; 3.405846e-01 -9.744496e-06 2.622009e-02 6.824907e-03 0.000485 0.000060 True native_MD 7 54 107 + ND1_AB42_6 CG1_AB42_12 1 0.000000e+00 3.543424e-06 ; 3.130499e-01 -3.543424e-06 2.155600e-02 6.313805e-03 0.000485 0.000060 True native_MD 7 54 108 + ND1_AB42_6 CG2_AB42_12 1 0.000000e+00 3.549809e-06 ; 3.130969e-01 -3.549809e-06 2.033567e-02 6.867976e-03 0.000485 0.000060 True native_MD 7 54 109 ND1_AB42_6 C_AB42_12 1 1.491746e-03 3.643060e-06 ; 3.669683e-01 1.527086e-01 5.764831e-03 1.289684e-03 0.000485 0.002166 True native_MD 7 54 110 ND1_AB42_6 O_AB42_12 1 5.172733e-04 4.932040e-07 ; 3.137264e-01 1.356293e-01 3.457897e-03 1.922309e-03 0.000485 0.002166 True native_MD 7 54 111 ND1_AB42_6 N_AB42_13 1 2.685023e-04 1.269761e-07 ; 2.791230e-01 1.419430e-01 4.177050e-03 6.100695e-04 0.000485 0.002166 True native_MD 7 54 112 ND1_AB42_6 CA_AB42_13 1 7.472102e-04 1.120946e-06 ; 3.383428e-01 1.245205e-01 8.846133e-03 4.775810e-03 0.000485 0.001339 True native_MD 7 54 114 - ND1_AB42_6 CB_AB42_13 1 0.000000e+00 4.808331e-06 ; 3.211154e-01 -4.808331e-06 8.368111e-03 5.433487e-03 0.000485 0.000060 True native_MD 7 54 115 + ND1_AB42_6 CB_AB42_13 1 0.000000e+00 4.808247e-06 ; 3.211150e-01 -4.808247e-06 8.368111e-03 5.433487e-03 0.000485 0.000060 True native_MD 7 54 115 ND1_AB42_6 CG_AB42_13 1 1.423179e-03 3.884227e-06 ; 3.738300e-01 1.303631e-01 5.731819e-03 4.203302e-03 0.000485 0.002166 True native_MD 7 54 116 ND1_AB42_6 ND1_AB42_13 1 8.703379e-04 1.584417e-06 ; 3.494327e-01 1.195216e-01 5.269585e-03 5.345476e-03 0.000485 0.002166 True native_MD 7 54 117 ND1_AB42_6 CD2_AB42_13 1 8.595952e-04 1.197412e-06 ; 3.341886e-01 1.542710e-01 1.079407e-02 5.913496e-03 0.000485 0.003309 True native_MD 7 54 118 @@ -14888,7 +14888,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 ND1_AB42_6 O_AB42_13 1 4.722984e-04 3.950523e-07 ; 3.069538e-01 1.411622e-01 4.080572e-03 1.585067e-03 0.000485 0.002166 True native_MD 7 54 122 ND1_AB42_6 N_AB42_14 1 1.862363e-04 6.996754e-08 ; 2.686202e-01 1.239288e-01 2.436379e-03 5.612493e-04 0.000485 0.002166 True native_MD 7 54 123 ND1_AB42_6 CA_AB42_14 1 1.456170e-03 3.512270e-06 ; 3.662093e-01 1.509301e-01 9.669164e-03 2.368345e-03 0.000485 0.001339 True native_MD 7 54 125 - ND1_AB42_6 CB_AB42_14 1 0.000000e+00 4.784777e-06 ; 3.209841e-01 -4.784777e-06 1.120824e-02 3.389470e-03 0.000485 0.000060 True native_MD 7 54 126 + ND1_AB42_6 CB_AB42_14 1 0.000000e+00 4.784694e-06 ; 3.209836e-01 -4.784694e-06 1.120824e-02 3.389470e-03 0.000485 0.000060 True native_MD 7 54 126 ND1_AB42_6 CG_AB42_14 1 1.099845e-03 1.923959e-06 ; 3.471182e-01 1.571836e-01 8.859317e-03 2.911527e-03 0.000485 0.002166 True native_MD 7 54 127 ND1_AB42_6 ND1_AB42_14 1 8.865607e-04 1.317981e-06 ; 3.378315e-01 1.490898e-01 8.522043e-03 3.568333e-03 0.000485 0.002166 True native_MD 7 54 128 ND1_AB42_6 CD2_AB42_14 1 7.101974e-04 7.208072e-07 ; 3.170103e-01 1.749360e-01 1.379452e-02 4.071836e-03 0.000485 0.003309 True native_MD 7 54 129 @@ -14898,8 +14898,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 ND1_AB42_6 O_AB42_14 1 5.979581e-04 6.084482e-07 ; 3.171457e-01 1.469122e-01 4.846771e-03 5.656160e-04 0.000485 0.002166 True native_MD 7 54 133 ND1_AB42_6 N_AB42_15 1 3.532341e-04 2.710143e-07 ; 3.025670e-01 1.150994e-01 1.870648e-03 1.714578e-04 0.000485 0.002166 True native_MD 7 54 134 ND1_AB42_6 CA_AB42_15 1 1.135002e-03 2.161373e-06 ; 3.520645e-01 1.490059e-01 6.984683e-03 1.812225e-03 0.000485 0.001339 True native_MD 7 54 136 - ND1_AB42_6 CB_AB42_15 1 0.000000e+00 4.801493e-06 ; 3.210774e-01 -4.801493e-06 5.992425e-03 1.639890e-03 0.000485 0.000060 True native_MD 7 54 137 - ND1_AB42_6 CG_AB42_15 1 0.000000e+00 4.798362e-06 ; 3.210599e-01 -4.798362e-06 7.155593e-03 2.153911e-03 0.000485 0.000060 True native_MD 7 54 138 + ND1_AB42_6 CB_AB42_15 1 0.000000e+00 4.801409e-06 ; 3.210769e-01 -4.801409e-06 5.992425e-03 1.639890e-03 0.000485 0.000060 True native_MD 7 54 137 + ND1_AB42_6 CG_AB42_15 1 0.000000e+00 4.798279e-06 ; 3.210595e-01 -4.798279e-06 7.155593e-03 2.153911e-03 0.000485 0.000060 True native_MD 7 54 138 ND1_AB42_6 CD_AB42_15 1 1.345862e-03 2.718343e-06 ; 3.555363e-01 1.665854e-01 8.732489e-03 2.147456e-03 0.000485 0.002166 True native_MD 7 54 139 ND1_AB42_6 OE1_AB42_15 1 7.093748e-04 8.417858e-07 ; 3.253776e-01 1.494479e-01 5.228877e-03 2.146039e-03 0.000485 0.002166 True native_MD 7 54 140 ND1_AB42_6 NE2_AB42_15 1 2.607840e-04 1.125112e-07 ; 2.748859e-01 1.511145e-01 8.773353e-03 3.457622e-03 0.000485 0.002166 True native_MD 7 54 141 @@ -14910,28 +14910,28 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 ND1_AB42_6 CB_AB42_16 1 7.150273e-04 1.361847e-06 ; 3.520743e-01 9.385489e-02 1.416354e-02 8.538294e-04 0.000485 0.000060 True native_MD 7 54 147 ND1_AB42_6 CG_AB42_16 1 5.273241e-04 7.453765e-07 ; 3.350038e-01 9.326519e-02 1.873460e-02 1.149497e-03 0.000485 0.000060 True native_MD 7 54 148 ND1_AB42_6 CD_AB42_16 1 4.333108e-04 5.613817e-07 ; 3.301742e-01 8.361434e-02 2.054054e-02 1.682303e-03 0.000485 0.000060 True native_MD 7 54 149 - ND1_AB42_6 CE_AB42_16 1 0.000000e+00 4.747061e-06 ; 3.207725e-01 -4.747061e-06 1.832144e-02 2.681783e-03 0.000485 0.000060 True native_MD 7 54 150 + ND1_AB42_6 CE_AB42_16 1 0.000000e+00 4.746978e-06 ; 3.207720e-01 -4.746978e-06 1.832144e-02 2.681783e-03 0.000485 0.000060 True native_MD 7 54 150 ND1_AB42_6 NZ_AB42_16 1 2.020922e-04 5.851815e-08 ; 2.572114e-01 1.744812e-01 1.158727e-02 2.269327e-03 0.000485 0.002166 True native_MD 7 54 151 ND1_AB42_6 C_AB42_16 1 1.263727e-03 2.828993e-06 ; 3.616844e-01 1.411285e-01 4.076460e-03 1.913632e-04 0.000485 0.002166 True native_MD 7 54 152 ND1_AB42_6 O_AB42_16 1 3.953314e-04 3.514197e-07 ; 3.100826e-01 1.111825e-01 1.663742e-03 4.305848e-04 0.000485 0.002166 True native_MD 7 54 153 ND1_AB42_6 N_AB42_17 1 2.380583e-04 1.091101e-07 ; 2.776709e-01 1.298499e-01 2.908699e-03 1.550413e-05 0.000485 0.002166 True native_MD 7 54 154 ND1_AB42_6 CA_AB42_17 1 1.864947e-03 5.665855e-06 ; 3.805688e-01 1.534644e-01 5.896707e-03 5.959845e-04 0.000485 0.001339 True native_MD 7 54 156 ND1_AB42_6 CB_AB42_17 1 4.387817e-04 6.638223e-07 ; 3.388186e-01 7.250788e-02 5.490533e-03 6.269802e-04 0.000485 0.000060 True native_MD 7 54 157 - ND1_AB42_6 CG_AB42_17 1 0.000000e+00 9.862266e-06 ; 3.409257e-01 -9.862266e-06 9.137826e-03 1.588329e-03 0.000485 0.000060 True native_MD 7 54 158 - ND1_AB42_6 CD1_AB42_17 1 0.000000e+00 3.575946e-06 ; 3.132883e-01 -3.575946e-06 7.946821e-03 1.729132e-03 0.000485 0.000060 True native_MD 7 54 159 - ND1_AB42_6 CD2_AB42_17 1 0.000000e+00 3.581800e-06 ; 3.133311e-01 -3.581800e-06 6.391604e-03 1.800874e-03 0.000485 0.000060 True native_MD 7 54 160 + ND1_AB42_6 CG_AB42_17 1 0.000000e+00 9.862210e-06 ; 3.409255e-01 -9.862210e-06 9.137826e-03 1.588329e-03 0.000485 0.000060 True native_MD 7 54 158 + ND1_AB42_6 CD1_AB42_17 1 0.000000e+00 3.575897e-06 ; 3.132880e-01 -3.575897e-06 7.946821e-03 1.729132e-03 0.000485 0.000060 True native_MD 7 54 159 + ND1_AB42_6 CD2_AB42_17 1 0.000000e+00 3.581751e-06 ; 3.133307e-01 -3.581751e-06 6.391604e-03 1.800874e-03 0.000485 0.000060 True native_MD 7 54 160 ND1_AB42_6 C_AB42_17 1 1.301896e-03 3.442198e-06 ; 3.718576e-01 1.230996e-01 2.376662e-03 2.795679e-04 0.000485 0.002166 True native_MD 7 54 161 ND1_AB42_6 O_AB42_17 1 5.639771e-04 5.753913e-07 ; 3.172856e-01 1.381973e-01 3.734118e-03 4.262656e-04 0.000485 0.002166 True native_MD 7 54 162 ND1_AB42_6 N_AB42_18 1 1.261685e-04 4.869885e-08 ; 2.698327e-01 8.171903e-02 6.889036e-04 1.547723e-04 0.000485 0.002166 True native_MD 7 54 163 ND1_AB42_6 CA_AB42_18 1 1.304892e-03 2.885196e-06 ; 3.609387e-01 1.475414e-01 4.938894e-03 1.172452e-03 0.000485 0.001339 True native_MD 7 54 165 - ND1_AB42_6 CB_AB42_18 1 0.000000e+00 9.866485e-06 ; 3.409378e-01 -9.866485e-06 9.306735e-03 2.181778e-03 0.000485 0.000060 True native_MD 7 54 166 - ND1_AB42_6 CG1_AB42_18 1 0.000000e+00 3.584384e-06 ; 3.133499e-01 -3.584384e-06 5.883358e-03 2.010804e-03 0.000485 0.000060 True native_MD 7 54 167 - ND1_AB42_6 CG2_AB42_18 1 0.000000e+00 3.576001e-06 ; 3.132887e-01 -3.576001e-06 7.977757e-03 1.775343e-03 0.000485 0.000060 True native_MD 7 54 168 + ND1_AB42_6 CB_AB42_18 1 0.000000e+00 9.866428e-06 ; 3.409377e-01 -9.866428e-06 9.306735e-03 2.181778e-03 0.000485 0.000060 True native_MD 7 54 166 + ND1_AB42_6 CG1_AB42_18 1 0.000000e+00 3.584335e-06 ; 3.133495e-01 -3.584335e-06 5.883358e-03 2.010804e-03 0.000485 0.000060 True native_MD 7 54 167 + ND1_AB42_6 CG2_AB42_18 1 0.000000e+00 3.575952e-06 ; 3.132884e-01 -3.575952e-06 7.977757e-03 1.775343e-03 0.000485 0.000060 True native_MD 7 54 168 ND1_AB42_6 C_AB42_18 1 1.655442e-03 5.047827e-06 ; 3.808013e-01 1.357261e-01 3.467935e-03 3.550597e-04 0.000485 0.002166 True native_MD 7 54 169 ND1_AB42_6 O_AB42_18 1 6.121735e-04 6.660510e-07 ; 3.207048e-01 1.406635e-01 4.020133e-03 4.268435e-04 0.000485 0.002166 True native_MD 7 54 170 ND1_AB42_6 N_AB42_19 1 3.353777e-04 2.275883e-07 ; 2.964394e-01 1.235545e-01 2.409238e-03 2.158501e-04 0.000485 0.002166 True native_MD 7 54 171 ND1_AB42_6 CA_AB42_19 1 1.077171e-03 1.736319e-06 ; 3.424187e-01 1.670628e-01 9.543295e-03 1.442393e-03 0.000485 0.001339 True native_MD 7 54 173 - ND1_AB42_6 CB_AB42_19 1 0.000000e+00 4.768936e-06 ; 3.208954e-01 -4.768936e-06 1.275800e-02 1.654486e-03 0.000485 0.000060 True native_MD 7 54 174 + ND1_AB42_6 CB_AB42_19 1 0.000000e+00 4.768854e-06 ; 3.208949e-01 -4.768854e-06 1.275800e-02 1.654486e-03 0.000485 0.000060 True native_MD 7 54 174 ND1_AB42_6 CG_AB42_19 1 1.402955e-03 2.949240e-06 ; 3.579132e-01 1.668466e-01 8.801019e-03 1.200142e-03 0.000485 0.003309 True native_MD 7 54 175 ND1_AB42_6 CD1_AB42_19 1 8.604418e-04 1.131501e-06 ; 3.309956e-01 1.635792e-01 7.981201e-03 1.389523e-03 0.000485 0.003309 True native_MD 7 54 176 ND1_AB42_6 CD2_AB42_19 1 8.604418e-04 1.131501e-06 ; 3.309956e-01 1.635792e-01 7.981201e-03 1.389523e-03 0.000485 0.003309 True native_MD 7 54 177 @@ -14942,7 +14942,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 ND1_AB42_6 O_AB42_19 1 6.482819e-04 9.315742e-07 ; 3.359249e-01 1.127848e-01 1.745458e-03 7.463140e-04 0.000485 0.002166 True native_MD 7 54 182 ND1_AB42_6 N_AB42_20 1 1.916808e-04 6.664078e-08 ; 2.651715e-01 1.378342e-01 3.693759e-03 2.791840e-04 0.000485 0.002166 True native_MD 7 54 183 ND1_AB42_6 CA_AB42_20 1 1.097995e-03 1.845463e-06 ; 3.448134e-01 1.633184e-01 8.207205e-03 1.387539e-03 0.000485 0.001339 True native_MD 7 54 185 - ND1_AB42_6 CB_AB42_20 1 0.000000e+00 4.781405e-06 ; 3.209652e-01 -4.781405e-06 1.024311e-02 1.725157e-03 0.000485 0.000060 True native_MD 7 54 186 + ND1_AB42_6 CB_AB42_20 1 0.000000e+00 4.781322e-06 ; 3.209647e-01 -4.781322e-06 1.024311e-02 1.725157e-03 0.000485 0.000060 True native_MD 7 54 186 ND1_AB42_6 CG_AB42_20 1 1.481974e-03 3.381865e-06 ; 3.628434e-01 1.623547e-01 7.694014e-03 1.092470e-03 0.000485 0.003309 True native_MD 7 54 187 ND1_AB42_6 CD1_AB42_20 1 1.011586e-03 1.535820e-06 ; 3.390181e-01 1.665732e-01 8.729306e-03 1.570348e-03 0.000485 0.003309 True native_MD 7 54 188 ND1_AB42_6 CD2_AB42_20 1 1.011586e-03 1.535820e-06 ; 3.390181e-01 1.665732e-01 8.729306e-03 1.570348e-03 0.000485 0.003309 True native_MD 7 54 189 @@ -14953,20 +14953,20 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 ND1_AB42_6 O_AB42_20 1 8.218990e-04 1.357453e-06 ; 3.438094e-01 1.244091e-01 2.471647e-03 8.749784e-04 0.000485 0.002166 True native_MD 7 54 194 ND1_AB42_6 N_AB42_21 1 2.157713e-04 9.746655e-08 ; 2.769982e-01 1.194185e-01 2.128757e-03 2.464939e-04 0.000485 0.002166 True native_MD 7 54 195 ND1_AB42_6 CA_AB42_21 1 1.562006e-03 4.017014e-06 ; 3.701435e-01 1.518456e-01 5.630024e-03 1.341740e-03 0.000485 0.001339 True native_MD 7 54 197 - ND1_AB42_6 CB_AB42_21 1 0.000000e+00 3.584240e-06 ; 3.133488e-01 -3.584240e-06 5.392662e-03 1.480032e-03 0.000485 0.000060 True native_MD 7 54 198 + ND1_AB42_6 CB_AB42_21 1 0.000000e+00 3.584191e-06 ; 3.133485e-01 -3.584191e-06 5.392662e-03 1.480032e-03 0.000485 0.000060 True native_MD 7 54 198 ND1_AB42_6 C_AB42_21 1 1.307576e-03 3.532588e-06 ; 3.731966e-01 1.209988e-01 2.231848e-03 1.639807e-04 0.000485 0.002166 True native_MD 7 54 199 ND1_AB42_6 O_AB42_21 1 3.871947e-04 3.227750e-07 ; 3.067810e-01 1.161178e-01 1.928537e-03 3.702456e-04 0.000485 0.002166 True native_MD 7 54 200 ND1_AB42_6 N_AB42_22 1 1.501533e-04 6.489982e-08 ; 2.749697e-01 8.684930e-02 8.032206e-04 4.995055e-05 0.000485 0.002166 True native_MD 7 54 201 ND1_AB42_6 CA_AB42_22 1 2.134124e-03 8.277380e-06 ; 3.963804e-01 1.375581e-01 3.663370e-03 9.941081e-04 0.000485 0.001339 True native_MD 7 54 203 - ND1_AB42_6 CB_AB42_22 1 0.000000e+00 4.807410e-06 ; 3.211103e-01 -4.807410e-06 3.790055e-03 6.645524e-04 0.000485 0.000060 True native_MD 7 54 204 - ND1_AB42_6 CG_AB42_22 1 0.000000e+00 4.808539e-06 ; 3.211166e-01 -4.808539e-06 4.298921e-03 1.407585e-03 0.000485 0.000060 True native_MD 7 54 205 + ND1_AB42_6 CB_AB42_22 1 0.000000e+00 4.807327e-06 ; 3.211099e-01 -4.807327e-06 3.790055e-03 6.645524e-04 0.000485 0.000060 True native_MD 7 54 204 + ND1_AB42_6 CG_AB42_22 1 0.000000e+00 4.808456e-06 ; 3.211161e-01 -4.808456e-06 4.298921e-03 1.407585e-03 0.000485 0.000060 True native_MD 7 54 205 ND1_AB42_6 CD_AB42_22 1 1.187337e-03 3.550448e-06 ; 3.795638e-01 9.926707e-02 1.164728e-03 1.146534e-03 0.000485 0.002166 True native_MD 7 54 206 ND1_AB42_6 OE1_AB42_22 1 6.632790e-04 1.458446e-06 ; 3.606055e-01 7.541229e-02 5.704162e-04 7.447525e-04 0.000485 0.002166 True native_MD 7 54 207 ND1_AB42_6 OE2_AB42_22 1 6.632790e-04 1.458446e-06 ; 3.606055e-01 7.541229e-02 5.704162e-04 7.447525e-04 0.000485 0.002166 True native_MD 7 54 208 ND1_AB42_6 C_AB42_22 1 1.572667e-03 6.509532e-06 ; 4.006995e-01 9.498695e-02 1.024701e-03 3.999538e-04 0.000485 0.002166 True native_MD 7 54 209 ND1_AB42_6 O_AB42_22 1 4.926447e-04 6.138212e-07 ; 3.280334e-01 9.884750e-02 1.150195e-03 5.509704e-04 0.000485 0.002166 True native_MD 7 54 210 ND1_AB42_6 CA_AB42_23 1 1.700946e-03 5.691454e-06 ; 3.867427e-01 1.270860e-01 2.677799e-03 7.605181e-04 0.000485 0.001339 True native_MD 7 54 213 - ND1_AB42_6 CB_AB42_23 1 0.000000e+00 4.817037e-06 ; 3.211639e-01 -4.817037e-06 1.730189e-03 6.008907e-04 0.000485 0.000060 True native_MD 7 54 214 + ND1_AB42_6 CB_AB42_23 1 0.000000e+00 4.816953e-06 ; 3.211634e-01 -4.816953e-06 1.730189e-03 6.008907e-04 0.000485 0.000060 True native_MD 7 54 214 ND1_AB42_6 CG_AB42_23 1 8.946480e-04 2.257387e-06 ; 3.689710e-01 8.864178e-02 8.474832e-04 7.497400e-04 0.000485 0.002166 True native_MD 7 54 215 ND1_AB42_6 OD1_AB42_23 1 4.877219e-04 7.236367e-07 ; 3.377210e-01 8.217957e-02 6.984640e-04 5.842114e-04 0.000485 0.002166 True native_MD 7 54 216 ND1_AB42_6 OD2_AB42_23 1 4.877219e-04 7.236367e-07 ; 3.377210e-01 8.217957e-02 6.984640e-04 5.842114e-04 0.000485 0.002166 True native_MD 7 54 217 @@ -14991,7 +14991,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 ND1_AB42_6 O_AB42_26 1 8.999219e-04 1.371532e-06 ; 3.392346e-01 1.476195e-01 4.950452e-03 1.499954e-04 0.000485 0.002166 True native_MD 7 54 239 ND1_AB42_6 N_AB42_27 1 1.124303e-04 3.845422e-08 ; 2.644499e-01 8.217935e-02 6.984593e-04 1.483594e-04 0.000485 0.002166 True native_MD 7 54 240 ND1_AB42_6 CA_AB42_27 1 1.289822e-03 3.092333e-06 ; 3.658413e-01 1.344972e-01 3.342706e-03 5.796796e-04 0.000485 0.001339 True native_MD 7 54 242 - ND1_AB42_6 CB_AB42_27 1 0.000000e+00 4.806300e-06 ; 3.211041e-01 -4.806300e-06 3.867897e-03 5.122121e-04 0.000485 0.000060 True native_MD 7 54 243 + ND1_AB42_6 CB_AB42_27 1 0.000000e+00 4.806217e-06 ; 3.211037e-01 -4.806217e-06 3.867897e-03 5.122121e-04 0.000485 0.000060 True native_MD 7 54 243 ND1_AB42_6 CG_AB42_27 1 8.147876e-04 1.283605e-06 ; 3.411126e-01 1.292997e-01 2.861202e-03 5.988883e-04 0.000485 0.002166 True native_MD 7 54 244 ND1_AB42_6 OD1_AB42_27 1 7.964080e-04 1.265304e-06 ; 3.415937e-01 1.253188e-01 2.539863e-03 4.192145e-04 0.000485 0.002166 True native_MD 7 54 245 ND1_AB42_6 ND2_AB42_27 1 1.826546e-04 6.543409e-08 ; 2.664990e-01 1.274669e-01 2.708494e-03 9.563184e-04 0.000485 0.002166 True native_MD 7 54 246 @@ -15082,22 +15082,22 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 ND1_AB42_6 O_AB42_40 1 2.957399e-04 1.961696e-07 ; 2.953160e-01 1.114623e-01 1.677730e-03 1.746263e-04 0.000485 0.002166 True native_MD 7 54 344 ND1_AB42_6 N_AB42_41 1 2.196874e-04 1.403370e-07 ; 2.934683e-01 8.597619e-02 7.825055e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 54 345 ND1_AB42_6 CA_AB42_41 1 1.004471e-03 1.978997e-06 ; 3.540663e-01 1.274588e-01 2.707840e-03 4.495604e-04 0.000485 0.001339 True native_MD 7 54 347 - ND1_AB42_6 CB_AB42_41 1 0.000000e+00 9.903237e-06 ; 3.410435e-01 -9.903237e-06 4.001981e-03 5.753968e-04 0.000485 0.000060 True native_MD 7 54 348 - ND1_AB42_6 CG1_AB42_41 1 0.000000e+00 4.808308e-06 ; 3.211153e-01 -4.808308e-06 3.442197e-03 5.027765e-04 0.000485 0.000060 True native_MD 7 54 349 + ND1_AB42_6 CB_AB42_41 1 0.000000e+00 9.903180e-06 ; 3.410433e-01 -9.903180e-06 4.001981e-03 5.753968e-04 0.000485 0.000060 True native_MD 7 54 348 + ND1_AB42_6 CG1_AB42_41 1 0.000000e+00 4.808224e-06 ; 3.211149e-01 -4.808224e-06 3.442197e-03 5.027765e-04 0.000485 0.000060 True native_MD 7 54 349 ND1_AB42_6 CG2_AB42_41 1 5.430577e-04 1.047923e-06 ; 3.528422e-01 7.035625e-02 3.141456e-03 3.825906e-04 0.000485 0.000060 True native_MD 7 54 350 ND1_AB42_6 CD_AB42_41 1 4.668899e-04 7.559226e-07 ; 3.426708e-01 7.209277e-02 4.637533e-03 5.361933e-04 0.000485 0.000060 True native_MD 7 54 351 ND1_AB42_6 C_AB42_41 1 7.997092e-04 1.644227e-06 ; 3.565920e-01 9.723943e-02 1.096155e-03 2.284521e-04 0.000485 0.002166 True native_MD 7 54 352 ND1_AB42_6 O_AB42_41 1 6.169194e-04 9.423258e-07 ; 3.393611e-01 1.009708e-01 1.225652e-03 3.698616e-04 0.000485 0.002166 True native_MD 7 54 353 ND1_AB42_6 N_AB42_42 1 1.449569e-04 5.711012e-08 ; 2.707566e-01 9.198238e-02 9.365862e-04 6.649391e-05 0.000485 0.002166 True native_MD 7 54 354 ND1_AB42_6 CA_AB42_42 1 1.870767e-03 6.108777e-06 ; 3.851729e-01 1.432271e-01 4.340684e-03 1.032002e-03 0.000485 0.001339 True native_MD 7 54 356 - ND1_AB42_6 CB_AB42_42 1 0.000000e+00 3.583748e-06 ; 3.133453e-01 -3.583748e-06 4.631515e-03 5.822141e-04 0.000485 0.000060 True native_MD 7 54 357 + ND1_AB42_6 CB_AB42_42 1 0.000000e+00 3.583699e-06 ; 3.133449e-01 -3.583699e-06 4.631515e-03 5.822141e-04 0.000485 0.000060 True native_MD 7 54 357 ND1_AB42_6 C_AB42_42 1 1.629561e-03 6.703559e-06 ; 4.002879e-01 9.903202e-02 1.156564e-03 6.945913e-04 0.000485 0.002166 True native_MD 7 54 358 ND1_AB42_6 O1_AB42_42 1 4.012072e-04 4.438882e-07 ; 3.216011e-01 9.065751e-02 9.001790e-04 4.440992e-04 0.000485 0.002166 True native_MD 7 54 359 ND1_AB42_6 O2_AB42_42 1 4.012072e-04 4.438882e-07 ; 3.216011e-01 9.065751e-02 9.001790e-04 4.440992e-04 0.000485 0.002166 True native_MD 7 54 360 - CD2_AB42_6 C_AB42_6 1 0.000000e+00 2.418322e-06 ; 3.032409e-01 -2.418322e-06 9.117822e-01 8.424178e-01 0.000485 0.000060 True native_MD 4 55 58 - CD2_AB42_6 O_AB42_6 1 0.000000e+00 7.655357e-07 ; 2.755236e-01 -7.655357e-07 3.168900e-01 2.426320e-01 0.000485 0.000060 True native_MD 5 55 59 - CD2_AB42_6 N_AB42_7 1 0.000000e+00 1.228048e-06 ; 2.865913e-01 -1.228048e-06 4.167403e-01 2.310152e-01 0.000485 0.000060 True native_MD 5 55 60 - CD2_AB42_6 CA_AB42_7 1 0.000000e+00 1.026571e-05 ; 3.420667e-01 -1.026571e-05 4.151041e-01 2.016359e-01 0.000485 0.000060 True native_MD 6 55 62 + CD2_AB42_6 C_AB42_6 1 0.000000e+00 2.418279e-06 ; 3.032405e-01 -2.418279e-06 9.117822e-01 8.424178e-01 0.000485 0.000060 True native_MD 4 55 58 + CD2_AB42_6 O_AB42_6 1 0.000000e+00 7.655322e-07 ; 2.755235e-01 -7.655322e-07 3.168900e-01 2.426320e-01 0.000485 0.000060 True native_MD 5 55 59 + CD2_AB42_6 N_AB42_7 1 0.000000e+00 1.228030e-06 ; 2.865909e-01 -1.228030e-06 4.167403e-01 2.310152e-01 0.000485 0.000060 True native_MD 5 55 60 + CD2_AB42_6 CA_AB42_7 1 0.000000e+00 1.026565e-05 ; 3.420665e-01 -1.026565e-05 4.151041e-01 2.016359e-01 0.000485 0.000060 True native_MD 6 55 62 CD2_AB42_6 CB_AB42_7 1 1.763825e-03 4.869267e-06 ; 3.745427e-01 1.597302e-01 1.789732e-01 5.868164e-02 0.000485 0.002332 True native_MD 7 55 63 CD2_AB42_6 CG_AB42_7 1 9.925621e-04 1.705187e-06 ; 3.460741e-01 1.444386e-01 4.866158e-02 3.577864e-02 0.000485 0.003309 True native_MD 7 55 64 CD2_AB42_6 OD1_AB42_7 1 3.618019e-04 2.545677e-07 ; 2.982328e-01 1.285519e-01 1.835032e-02 2.170561e-02 0.000485 0.003309 True native_MD 7 55 65 @@ -15361,9 +15361,9 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CD2_AB42_6 C_AB42_42 1 1.088004e-03 2.777316e-06 ; 3.696856e-01 1.065554e-01 1.448601e-03 7.370245e-04 0.000485 0.003309 True native_MD 7 55 358 CD2_AB42_6 O1_AB42_42 1 4.460066e-04 6.176963e-07 ; 3.338661e-01 8.050957e-02 6.644151e-04 3.334152e-04 0.000485 0.003309 True native_MD 7 55 359 CD2_AB42_6 O2_AB42_42 1 4.460066e-04 6.176963e-07 ; 3.338661e-01 8.050957e-02 6.644151e-04 3.334152e-04 0.000485 0.003309 True native_MD 7 55 360 - CE1_AB42_6 C_AB42_6 1 0.000000e+00 2.018021e-06 ; 2.987025e-01 -2.018021e-06 4.745858e-01 2.511748e-01 0.000485 0.000060 True native_MD 5 56 58 - CE1_AB42_6 O_AB42_6 1 0.000000e+00 8.324951e-07 ; 2.774556e-01 -8.324951e-07 9.549478e-02 1.022090e-01 0.000485 0.000060 True native_MD 6 56 59 - CE1_AB42_6 N_AB42_7 1 0.000000e+00 1.173342e-06 ; 2.855050e-01 -1.173342e-06 3.024345e-01 8.043611e-02 0.000485 0.000060 True native_MD 6 56 60 + CE1_AB42_6 C_AB42_6 1 0.000000e+00 2.017985e-06 ; 2.987020e-01 -2.017985e-06 4.745858e-01 2.511748e-01 0.000485 0.000060 True native_MD 5 56 58 + CE1_AB42_6 O_AB42_6 1 0.000000e+00 8.324913e-07 ; 2.774555e-01 -8.324913e-07 9.549478e-02 1.022090e-01 0.000485 0.000060 True native_MD 6 56 59 + CE1_AB42_6 N_AB42_7 1 0.000000e+00 1.173326e-06 ; 2.855047e-01 -1.173326e-06 3.024345e-01 8.043611e-02 0.000485 0.000060 True native_MD 6 56 60 CE1_AB42_6 CA_AB42_7 1 2.873264e-03 1.331902e-05 ; 4.083345e-01 1.549598e-01 3.135647e-01 9.827106e-02 0.000485 0.001933 True native_MD 7 56 62 CE1_AB42_6 CB_AB42_7 1 1.742698e-03 4.148214e-06 ; 3.654039e-01 1.830304e-01 2.043202e-01 3.335814e-02 0.000485 0.002332 True native_MD 7 56 63 CE1_AB42_6 CG_AB42_7 1 1.197349e-03 1.978195e-06 ; 3.438281e-01 1.811809e-01 1.161178e-01 2.843211e-02 0.000485 0.003309 True native_MD 7 56 64 @@ -15628,11 +15628,11 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CE1_AB42_6 C_AB42_42 1 8.158355e-04 1.272839e-06 ; 3.405612e-01 1.307289e-01 2.986235e-03 1.033404e-03 0.000485 0.003309 True native_MD 7 56 358 CE1_AB42_6 O1_AB42_42 1 2.837653e-04 1.715404e-07 ; 2.907822e-01 1.173525e-01 2.001127e-03 8.497413e-04 0.000485 0.003309 True native_MD 7 56 359 CE1_AB42_6 O2_AB42_42 1 2.837653e-04 1.715404e-07 ; 2.907822e-01 1.173525e-01 2.001127e-03 8.497413e-04 0.000485 0.003309 True native_MD 7 56 360 - NE2_AB42_6 C_AB42_6 1 0.000000e+00 1.577414e-06 ; 2.926333e-01 -1.577414e-06 3.872124e-01 1.845017e-01 0.000485 0.000060 True native_MD 5 57 58 - NE2_AB42_6 O_AB42_6 1 0.000000e+00 6.062818e-07 ; 2.702202e-01 -6.062818e-07 1.085691e-01 7.151903e-02 0.000485 0.000060 True native_MD 6 57 59 - NE2_AB42_6 N_AB42_7 1 0.000000e+00 9.322170e-07 ; 2.800839e-01 -9.322170e-07 2.459839e-01 5.783711e-02 0.000485 0.000060 True native_MD 6 57 60 + NE2_AB42_6 C_AB42_6 1 0.000000e+00 1.577385e-06 ; 2.926329e-01 -1.577385e-06 3.872124e-01 1.845017e-01 0.000485 0.000060 True native_MD 5 57 58 + NE2_AB42_6 O_AB42_6 1 0.000000e+00 6.062786e-07 ; 2.702201e-01 -6.062786e-07 1.085691e-01 7.151903e-02 0.000485 0.000060 True native_MD 6 57 59 + NE2_AB42_6 N_AB42_7 1 0.000000e+00 9.322033e-07 ; 2.800835e-01 -9.322033e-07 2.459839e-01 5.783711e-02 0.000485 0.000060 True native_MD 6 57 60 NE2_AB42_6 CA_AB42_7 1 2.641936e-03 1.172615e-05 ; 4.053892e-01 1.488090e-01 2.727528e-01 7.118571e-02 0.000485 0.001339 True native_MD 7 57 62 - NE2_AB42_6 CB_AB42_7 1 0.000000e+00 4.154062e-06 ; 3.172253e-01 -4.154062e-06 1.608916e-01 2.228649e-02 0.000485 0.000060 True native_MD 7 57 63 + NE2_AB42_6 CB_AB42_7 1 0.000000e+00 4.153990e-06 ; 3.172248e-01 -4.153990e-06 1.608916e-01 2.228649e-02 0.000485 0.000060 True native_MD 7 57 63 NE2_AB42_6 CG_AB42_7 1 1.029856e-03 1.722103e-06 ; 3.445194e-01 1.539693e-01 5.961508e-02 2.157007e-02 0.000485 0.002166 True native_MD 7 57 64 NE2_AB42_6 OD1_AB42_7 1 3.297863e-04 1.998964e-07 ; 2.909123e-01 1.360192e-01 2.463733e-02 1.525439e-02 0.000485 0.002166 True native_MD 7 57 65 NE2_AB42_6 OD2_AB42_7 1 3.297863e-04 1.998964e-07 ; 2.909123e-01 1.360192e-01 2.463733e-02 1.525439e-02 0.000485 0.002166 True native_MD 7 57 66 @@ -15640,7 +15640,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 NE2_AB42_6 O_AB42_7 1 3.455412e-04 1.822002e-07 ; 2.842332e-01 1.638290e-01 1.364290e-01 3.675110e-02 0.000485 0.002166 True native_MD 7 57 68 NE2_AB42_6 N_AB42_8 1 9.777153e-04 1.334070e-06 ; 3.330384e-01 1.791374e-01 1.008920e-01 1.718927e-02 0.000485 0.002166 True native_MD 7 57 69 NE2_AB42_6 CA_AB42_8 1 1.372420e-03 3.092348e-06 ; 3.620764e-01 1.522741e-01 1.810013e-01 4.258643e-02 0.000485 0.001339 True native_MD 7 57 71 - NE2_AB42_6 CB_AB42_8 1 0.000000e+00 4.209776e-06 ; 3.175776e-01 -4.209776e-06 1.605835e-01 3.353134e-02 0.000485 0.000060 True native_MD 7 57 72 + NE2_AB42_6 CB_AB42_8 1 0.000000e+00 4.209703e-06 ; 3.175772e-01 -4.209703e-06 1.605835e-01 3.353134e-02 0.000485 0.000060 True native_MD 7 57 72 NE2_AB42_6 OG_AB42_8 1 3.462694e-04 1.844220e-07 ; 2.847081e-01 1.625382e-01 5.957877e-02 1.668132e-02 0.000485 0.002166 True native_MD 7 57 73 NE2_AB42_6 C_AB42_8 1 9.910275e-04 1.433913e-06 ; 3.363098e-01 1.712334e-01 5.919980e-02 1.277734e-02 0.000485 0.002166 True native_MD 7 57 74 NE2_AB42_6 O_AB42_8 1 2.609697e-04 1.012998e-07 ; 2.700866e-01 1.680782e-01 3.861633e-02 9.160298e-03 0.000485 0.002166 True native_MD 7 57 75 @@ -15650,7 +15650,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 NE2_AB42_6 O_AB42_9 1 1.623652e-04 4.464772e-08 ; 2.550064e-01 1.476136e-01 1.428261e-02 6.250543e-03 0.000485 0.002166 True native_MD 7 57 80 NE2_AB42_6 N_AB42_10 1 9.182514e-04 1.360111e-06 ; 3.376257e-01 1.549847e-01 1.356705e-02 4.762014e-03 0.000485 0.002166 True native_MD 7 57 81 NE2_AB42_6 CA_AB42_10 1 1.695418e-03 5.347173e-06 ; 3.829493e-01 1.343908e-01 3.784667e-02 1.520688e-02 0.000485 0.001339 True native_MD 7 57 83 - NE2_AB42_6 CB_AB42_10 1 0.000000e+00 4.743696e-06 ; 3.207535e-01 -4.743696e-06 3.143996e-02 1.510265e-02 0.000485 0.000060 True native_MD 7 57 84 + NE2_AB42_6 CB_AB42_10 1 0.000000e+00 4.743614e-06 ; 3.207530e-01 -4.743614e-06 3.143996e-02 1.510265e-02 0.000485 0.000060 True native_MD 7 57 84 NE2_AB42_6 CG_AB42_10 1 7.270062e-04 7.852070e-07 ; 3.203128e-01 1.682798e-01 2.489793e-02 8.969213e-03 0.000485 0.003309 True native_MD 7 57 85 NE2_AB42_6 CD1_AB42_10 1 5.666533e-04 5.005853e-07 ; 3.097610e-01 1.603603e-01 2.711770e-02 1.238146e-02 0.000485 0.003309 True native_MD 7 57 86 NE2_AB42_6 CD2_AB42_10 1 5.666533e-04 5.005853e-07 ; 3.097610e-01 1.603603e-01 2.711770e-02 1.238146e-02 0.000485 0.003309 True native_MD 7 57 87 @@ -15662,8 +15662,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 NE2_AB42_6 O_AB42_10 1 1.304602e-04 3.344906e-08 ; 2.520486e-01 1.272074e-01 1.256857e-02 1.013000e-02 0.000485 0.002166 True native_MD 7 57 93 NE2_AB42_6 N_AB42_11 1 4.838939e-04 3.923385e-07 ; 3.053644e-01 1.492036e-01 9.281601e-03 3.873141e-03 0.000485 0.002166 True native_MD 7 57 94 NE2_AB42_6 CA_AB42_11 1 1.234210e-03 3.047020e-06 ; 3.676329e-01 1.249806e-01 3.256654e-02 1.734144e-02 0.000485 0.001339 True native_MD 7 57 96 - NE2_AB42_6 CB_AB42_11 1 0.000000e+00 4.742911e-06 ; 3.207491e-01 -4.742911e-06 3.041633e-02 1.391610e-02 0.000485 0.000060 True native_MD 7 57 97 - NE2_AB42_6 CG_AB42_11 1 0.000000e+00 4.752208e-06 ; 3.208014e-01 -4.752208e-06 3.135555e-02 1.678313e-02 0.000485 0.000060 True native_MD 7 57 98 + NE2_AB42_6 CB_AB42_11 1 0.000000e+00 4.742828e-06 ; 3.207486e-01 -4.742828e-06 3.041633e-02 1.391610e-02 0.000485 0.000060 True native_MD 7 57 97 + NE2_AB42_6 CG_AB42_11 1 0.000000e+00 4.752125e-06 ; 3.208010e-01 -4.752125e-06 3.135555e-02 1.678313e-02 0.000485 0.000060 True native_MD 7 57 98 NE2_AB42_6 CD_AB42_11 1 3.763005e-04 2.600635e-07 ; 2.973428e-01 1.361226e-01 2.165159e-02 1.336389e-02 0.000485 0.002166 True native_MD 7 57 99 NE2_AB42_6 OE1_AB42_11 1 1.206601e-04 2.687608e-08 ; 2.462070e-01 1.354258e-01 1.391564e-02 8.770349e-03 0.000485 0.002166 True native_MD 7 57 100 NE2_AB42_6 OE2_AB42_11 1 1.206601e-04 2.687608e-08 ; 2.462070e-01 1.354258e-01 1.391564e-02 8.770349e-03 0.000485 0.002166 True native_MD 7 57 101 @@ -15671,14 +15671,14 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 NE2_AB42_6 O_AB42_11 1 1.728689e-04 4.792901e-08 ; 2.553565e-01 1.558745e-01 1.182926e-02 4.042999e-03 0.000485 0.002166 True native_MD 7 57 103 NE2_AB42_6 N_AB42_12 1 9.008854e-04 1.235861e-06 ; 3.333369e-01 1.641759e-01 8.124985e-03 1.396558e-03 0.000485 0.002166 True native_MD 7 57 104 NE2_AB42_6 CA_AB42_12 1 1.389615e-03 3.222412e-06 ; 3.638154e-01 1.498124e-01 2.443932e-02 6.189731e-03 0.000485 0.001339 True native_MD 7 57 106 - NE2_AB42_6 CB_AB42_12 1 0.000000e+00 9.700041e-06 ; 3.404548e-01 -9.700041e-06 3.417385e-02 1.029943e-02 0.000485 0.000060 True native_MD 7 57 107 - NE2_AB42_6 CG1_AB42_12 1 0.000000e+00 3.540363e-06 ; 3.130274e-01 -3.540363e-06 2.452851e-02 8.422063e-03 0.000485 0.000060 True native_MD 7 57 108 - NE2_AB42_6 CG2_AB42_12 1 0.000000e+00 3.542672e-06 ; 3.130444e-01 -3.542672e-06 2.514695e-02 9.682154e-03 0.000485 0.000060 True native_MD 7 57 109 + NE2_AB42_6 CB_AB42_12 1 0.000000e+00 9.699985e-06 ; 3.404546e-01 -9.699985e-06 3.417385e-02 1.029943e-02 0.000485 0.000060 True native_MD 7 57 107 + NE2_AB42_6 CG1_AB42_12 1 0.000000e+00 3.540314e-06 ; 3.130270e-01 -3.540314e-06 2.452851e-02 8.422063e-03 0.000485 0.000060 True native_MD 7 57 108 + NE2_AB42_6 CG2_AB42_12 1 0.000000e+00 3.542623e-06 ; 3.130440e-01 -3.542623e-06 2.514695e-02 9.682154e-03 0.000485 0.000060 True native_MD 7 57 109 NE2_AB42_6 C_AB42_12 1 1.084411e-03 1.803782e-06 ; 3.442165e-01 1.629834e-01 9.403544e-03 2.597971e-03 0.000485 0.002166 True native_MD 7 57 110 NE2_AB42_6 O_AB42_12 1 1.705245e-04 5.207828e-08 ; 2.595045e-01 1.395909e-01 6.487664e-03 3.609668e-03 0.000485 0.002166 True native_MD 7 57 111 NE2_AB42_6 N_AB42_13 1 8.670567e-04 1.178377e-06 ; 3.328175e-01 1.594963e-01 7.063241e-03 1.347148e-03 0.000485 0.002166 True native_MD 7 57 112 NE2_AB42_6 CA_AB42_13 1 1.132283e-03 2.555979e-06 ; 3.621877e-01 1.253985e-01 1.573237e-02 8.273260e-03 0.000485 0.001339 True native_MD 7 57 114 - NE2_AB42_6 CB_AB42_13 1 0.000000e+00 4.797421e-06 ; 3.210547e-01 -4.797421e-06 1.260620e-02 7.409286e-03 0.000485 0.000060 True native_MD 7 57 115 + NE2_AB42_6 CB_AB42_13 1 0.000000e+00 4.797338e-06 ; 3.210542e-01 -4.797338e-06 1.260620e-02 7.409286e-03 0.000485 0.000060 True native_MD 7 57 115 NE2_AB42_6 CG_AB42_13 1 4.698831e-04 4.057318e-07 ; 3.085850e-01 1.360444e-01 9.796100e-03 6.060567e-03 0.000485 0.002166 True native_MD 7 57 116 NE2_AB42_6 ND1_AB42_13 1 2.211378e-04 9.240039e-08 ; 2.734231e-01 1.323099e-01 9.614290e-03 6.651535e-03 0.000485 0.002166 True native_MD 7 57 117 NE2_AB42_6 CD2_AB42_13 1 4.564062e-04 3.637295e-07 ; 3.044887e-01 1.431741e-01 1.155317e-02 8.822322e-03 0.000485 0.003309 True native_MD 7 57 118 @@ -15688,7 +15688,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 NE2_AB42_6 O_AB42_13 1 2.152500e-04 7.509031e-08 ; 2.653221e-01 1.542562e-01 7.322447e-03 2.626849e-03 0.000485 0.002166 True native_MD 7 57 122 NE2_AB42_6 N_AB42_14 1 7.995716e-04 1.095522e-06 ; 3.332683e-01 1.458927e-01 4.701125e-03 1.190692e-03 0.000485 0.002166 True native_MD 7 57 123 NE2_AB42_6 CA_AB42_14 1 1.749631e-03 5.075928e-06 ; 3.776546e-01 1.507709e-01 1.643457e-02 4.044677e-03 0.000485 0.001339 True native_MD 7 57 125 - NE2_AB42_6 CB_AB42_14 1 0.000000e+00 4.766218e-06 ; 3.208801e-01 -4.766218e-06 1.630827e-02 4.641074e-03 0.000485 0.000060 True native_MD 7 57 126 + NE2_AB42_6 CB_AB42_14 1 0.000000e+00 4.766135e-06 ; 3.208797e-01 -4.766135e-06 1.630827e-02 4.641074e-03 0.000485 0.000060 True native_MD 7 57 126 NE2_AB42_6 CG_AB42_14 1 6.942611e-04 7.445628e-07 ; 3.199360e-01 1.618394e-01 1.246966e-02 3.565048e-03 0.000485 0.002166 True native_MD 7 57 127 NE2_AB42_6 ND1_AB42_14 1 2.243338e-04 8.405261e-08 ; 2.684991e-01 1.496849e-01 1.085471e-02 4.464832e-03 0.000485 0.002166 True native_MD 7 57 128 NE2_AB42_6 CD2_AB42_14 1 4.480046e-04 2.870531e-07 ; 2.936162e-01 1.748005e-01 1.534981e-02 4.549323e-03 0.000485 0.003309 True native_MD 7 57 129 @@ -15698,8 +15698,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 NE2_AB42_6 O_AB42_14 1 1.977981e-04 6.136328e-08 ; 2.601843e-01 1.593953e-01 7.041926e-03 1.178204e-03 0.000485 0.002166 True native_MD 7 57 133 NE2_AB42_6 N_AB42_15 1 6.656244e-04 7.924028e-07 ; 3.255513e-01 1.397824e-01 3.915513e-03 4.949774e-04 0.000485 0.002166 True native_MD 7 57 134 NE2_AB42_6 CA_AB42_15 1 1.547815e-03 3.889087e-06 ; 3.687127e-01 1.540035e-01 1.065048e-02 2.379477e-03 0.000485 0.001339 True native_MD 7 57 136 - NE2_AB42_6 CB_AB42_15 1 0.000000e+00 4.797618e-06 ; 3.210558e-01 -4.797618e-06 7.626726e-03 2.470666e-03 0.000485 0.000060 True native_MD 7 57 137 - NE2_AB42_6 CG_AB42_15 1 0.000000e+00 4.789390e-06 ; 3.210098e-01 -4.789390e-06 1.074436e-02 3.882142e-03 0.000485 0.000060 True native_MD 7 57 138 + NE2_AB42_6 CB_AB42_15 1 0.000000e+00 4.797535e-06 ; 3.210553e-01 -4.797535e-06 7.626726e-03 2.470666e-03 0.000485 0.000060 True native_MD 7 57 137 + NE2_AB42_6 CG_AB42_15 1 0.000000e+00 4.789307e-06 ; 3.210094e-01 -4.789307e-06 1.074436e-02 3.882142e-03 0.000485 0.000060 True native_MD 7 57 138 NE2_AB42_6 CD_AB42_15 1 7.794267e-04 9.928813e-07 ; 3.292459e-01 1.529654e-01 1.021872e-02 3.810130e-03 0.000485 0.002166 True native_MD 7 57 139 NE2_AB42_6 OE1_AB42_15 1 1.741320e-04 4.928843e-08 ; 2.562385e-01 1.537986e-01 8.486200e-03 3.086312e-03 0.000485 0.002166 True native_MD 7 57 140 NE2_AB42_6 NE2_AB42_15 1 5.647433e-04 5.209545e-07 ; 3.120025e-01 1.530532e-01 1.164943e-02 4.332315e-03 0.000485 0.002166 True native_MD 7 57 141 @@ -15708,30 +15708,30 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 NE2_AB42_6 N_AB42_16 1 6.986442e-04 8.133781e-07 ; 3.243442e-01 1.500236e-01 5.319739e-03 1.468141e-04 0.000485 0.002166 True native_MD 7 57 144 NE2_AB42_6 CA_AB42_16 1 1.484644e-03 2.896747e-06 ; 3.534935e-01 1.902278e-01 1.771783e-02 1.338085e-03 0.000485 0.001339 True native_MD 7 57 146 NE2_AB42_6 CB_AB42_16 1 4.881691e-04 8.241257e-07 ; 3.450673e-01 7.229147e-02 1.442616e-02 1.658069e-03 0.000485 0.000060 True native_MD 7 57 147 - NE2_AB42_6 CG_AB42_16 1 0.000000e+00 4.759489e-06 ; 3.208424e-01 -4.759489e-06 1.497811e-02 1.915487e-03 0.000485 0.000060 True native_MD 7 57 148 - NE2_AB42_6 CD_AB42_16 1 0.000000e+00 4.768692e-06 ; 3.208940e-01 -4.768692e-06 1.414210e-02 2.987919e-03 0.000485 0.000060 True native_MD 7 57 149 - NE2_AB42_6 CE_AB42_16 1 0.000000e+00 4.783775e-06 ; 3.209785e-01 -4.783775e-06 1.218556e-02 4.159117e-03 0.000485 0.000060 True native_MD 7 57 150 + NE2_AB42_6 CG_AB42_16 1 0.000000e+00 4.759406e-06 ; 3.208419e-01 -4.759406e-06 1.497811e-02 1.915487e-03 0.000485 0.000060 True native_MD 7 57 148 + NE2_AB42_6 CD_AB42_16 1 0.000000e+00 4.768609e-06 ; 3.208935e-01 -4.768609e-06 1.414210e-02 2.987919e-03 0.000485 0.000060 True native_MD 7 57 149 + NE2_AB42_6 CE_AB42_16 1 0.000000e+00 4.783692e-06 ; 3.209780e-01 -4.783692e-06 1.218556e-02 4.159117e-03 0.000485 0.000060 True native_MD 7 57 150 NE2_AB42_6 NZ_AB42_16 1 1.024650e-03 1.838928e-06 ; 3.486033e-01 1.427337e-01 5.871878e-03 2.973754e-03 0.000485 0.002166 True native_MD 7 57 151 NE2_AB42_6 C_AB42_16 1 9.848014e-04 1.480762e-06 ; 3.384720e-01 1.637389e-01 8.019439e-03 3.931407e-04 0.000485 0.002166 True native_MD 7 57 152 NE2_AB42_6 O_AB42_16 1 1.761584e-04 5.462750e-08 ; 2.601665e-01 1.420153e-01 4.186099e-03 5.994932e-04 0.000485 0.002166 True native_MD 7 57 153 NE2_AB42_6 N_AB42_17 1 8.512347e-04 1.084795e-06 ; 3.292681e-01 1.669902e-01 8.838926e-03 2.220135e-04 0.000485 0.002166 True native_MD 7 57 154 NE2_AB42_6 CA_AB42_17 1 2.154243e-03 6.337943e-06 ; 3.785375e-01 1.830548e-01 1.429505e-02 9.983665e-04 0.000485 0.001339 True native_MD 7 57 156 NE2_AB42_6 CB_AB42_17 1 5.151461e-04 8.908560e-07 ; 3.464545e-01 7.447206e-02 1.037887e-02 1.117536e-03 0.000485 0.000060 True native_MD 7 57 157 - NE2_AB42_6 CG_AB42_17 1 0.000000e+00 9.837906e-06 ; 3.408554e-01 -9.837906e-06 1.292323e-02 2.922316e-03 0.000485 0.000060 True native_MD 7 57 158 - NE2_AB42_6 CD1_AB42_17 1 0.000000e+00 3.571700e-06 ; 3.132573e-01 -3.571700e-06 1.058730e-02 3.189584e-03 0.000485 0.000060 True native_MD 7 57 159 - NE2_AB42_6 CD2_AB42_17 1 0.000000e+00 3.575208e-06 ; 3.132830e-01 -3.575208e-06 8.352281e-03 1.929523e-03 0.000485 0.000060 True native_MD 7 57 160 + NE2_AB42_6 CG_AB42_17 1 0.000000e+00 9.837849e-06 ; 3.408553e-01 -9.837849e-06 1.292323e-02 2.922316e-03 0.000485 0.000060 True native_MD 7 57 158 + NE2_AB42_6 CD1_AB42_17 1 0.000000e+00 3.571651e-06 ; 3.132570e-01 -3.571651e-06 1.058730e-02 3.189584e-03 0.000485 0.000060 True native_MD 7 57 159 + NE2_AB42_6 CD2_AB42_17 1 0.000000e+00 3.575159e-06 ; 3.132826e-01 -3.575159e-06 8.352281e-03 1.929523e-03 0.000485 0.000060 True native_MD 7 57 160 NE2_AB42_6 C_AB42_17 1 8.608531e-04 1.072843e-06 ; 3.280458e-01 1.726879e-01 1.048215e-02 4.994183e-04 0.000485 0.002166 True native_MD 7 57 161 NE2_AB42_6 O_AB42_17 1 1.702393e-04 4.144560e-08 ; 2.498828e-01 1.748161e-01 1.117145e-02 8.039526e-04 0.000485 0.002166 True native_MD 7 57 162 NE2_AB42_6 N_AB42_18 1 6.582389e-04 8.127973e-07 ; 3.275416e-01 1.332677e-01 3.221953e-03 3.184369e-04 0.000485 0.002166 True native_MD 7 57 163 NE2_AB42_6 CA_AB42_18 1 1.605601e-03 3.794396e-06 ; 3.649647e-01 1.698528e-01 1.248878e-02 1.736381e-03 0.000485 0.001339 True native_MD 7 57 165 - NE2_AB42_6 CB_AB42_18 1 0.000000e+00 9.827319e-06 ; 3.408249e-01 -9.827319e-06 1.390245e-02 2.836130e-03 0.000485 0.000060 True native_MD 7 57 166 - NE2_AB42_6 CG1_AB42_18 1 0.000000e+00 3.575740e-06 ; 3.132868e-01 -3.575740e-06 8.589418e-03 2.314489e-03 0.000485 0.000060 True native_MD 7 57 167 - NE2_AB42_6 CG2_AB42_18 1 0.000000e+00 3.570276e-06 ; 3.132469e-01 -3.570276e-06 9.887187e-03 2.093748e-03 0.000485 0.000060 True native_MD 7 57 168 + NE2_AB42_6 CB_AB42_18 1 0.000000e+00 9.827262e-06 ; 3.408247e-01 -9.827262e-06 1.390245e-02 2.836130e-03 0.000485 0.000060 True native_MD 7 57 166 + NE2_AB42_6 CG1_AB42_18 1 0.000000e+00 3.575691e-06 ; 3.132865e-01 -3.575691e-06 8.589418e-03 2.314489e-03 0.000485 0.000060 True native_MD 7 57 167 + NE2_AB42_6 CG2_AB42_18 1 0.000000e+00 3.570227e-06 ; 3.132466e-01 -3.570227e-06 9.887187e-03 2.093748e-03 0.000485 0.000060 True native_MD 7 57 168 NE2_AB42_6 C_AB42_18 1 1.091720e-03 1.859170e-06 ; 3.455689e-01 1.602666e-01 7.227951e-03 5.815495e-04 0.000485 0.002166 True native_MD 7 57 169 NE2_AB42_6 O_AB42_18 1 2.199073e-04 7.805853e-08 ; 2.660910e-01 1.548813e-01 6.152110e-03 5.983286e-04 0.000485 0.002166 True native_MD 7 57 170 NE2_AB42_6 N_AB42_19 1 9.437822e-04 1.443371e-06 ; 3.394306e-01 1.542786e-01 6.042137e-03 4.513963e-04 0.000485 0.002166 True native_MD 7 57 171 NE2_AB42_6 CA_AB42_19 1 1.723602e-03 4.533391e-06 ; 3.715333e-01 1.638289e-01 1.508964e-02 2.512428e-03 0.000485 0.001339 True native_MD 7 57 173 - NE2_AB42_6 CB_AB42_19 1 0.000000e+00 4.762999e-06 ; 3.208621e-01 -4.762999e-06 1.490356e-02 2.568797e-03 0.000485 0.000060 True native_MD 7 57 174 + NE2_AB42_6 CB_AB42_19 1 0.000000e+00 4.762916e-06 ; 3.208616e-01 -4.762916e-06 1.490356e-02 2.568797e-03 0.000485 0.000060 True native_MD 7 57 174 NE2_AB42_6 CG_AB42_19 1 8.086526e-04 9.280802e-07 ; 3.235717e-01 1.761483e-01 1.162584e-02 1.957819e-03 0.000485 0.003309 True native_MD 7 57 175 NE2_AB42_6 CD1_AB42_19 1 7.467273e-04 7.790708e-07 ; 3.184705e-01 1.789316e-01 1.263567e-02 2.527910e-03 0.000485 0.003309 True native_MD 7 57 176 NE2_AB42_6 CD2_AB42_19 1 7.467273e-04 7.790708e-07 ; 3.184705e-01 1.789316e-01 1.263567e-02 2.527910e-03 0.000485 0.003309 True native_MD 7 57 177 @@ -15742,7 +15742,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 NE2_AB42_6 O_AB42_19 1 1.527473e-04 3.963158e-08 ; 2.525484e-01 1.471790e-01 4.885619e-03 1.591075e-03 0.000485 0.002166 True native_MD 7 57 182 NE2_AB42_6 N_AB42_20 1 6.642466e-04 7.836998e-07 ; 3.250649e-01 1.407502e-01 4.030573e-03 5.553007e-04 0.000485 0.002166 True native_MD 7 57 183 NE2_AB42_6 CA_AB42_20 1 1.359750e-03 3.031420e-06 ; 3.614358e-01 1.524796e-01 1.042805e-02 2.438492e-03 0.000485 0.001339 True native_MD 7 57 185 - NE2_AB42_6 CB_AB42_20 1 0.000000e+00 4.777259e-06 ; 3.209420e-01 -4.777259e-06 1.175706e-02 2.379364e-03 0.000485 0.000060 True native_MD 7 57 186 + NE2_AB42_6 CB_AB42_20 1 0.000000e+00 4.777176e-06 ; 3.209415e-01 -4.777176e-06 1.175706e-02 2.379364e-03 0.000485 0.000060 True native_MD 7 57 186 NE2_AB42_6 CG_AB42_20 1 1.015858e-03 1.518364e-06 ; 3.381353e-01 1.699145e-01 9.647287e-03 1.621250e-03 0.000485 0.003309 True native_MD 7 57 187 NE2_AB42_6 CD1_AB42_20 1 6.734396e-04 6.354047e-07 ; 3.131785e-01 1.784378e-01 1.245031e-02 2.116436e-03 0.000485 0.003309 True native_MD 7 57 188 NE2_AB42_6 CD2_AB42_20 1 6.734396e-04 6.354047e-07 ; 3.131785e-01 1.784378e-01 1.245031e-02 2.116436e-03 0.000485 0.003309 True native_MD 7 57 189 @@ -15753,13 +15753,13 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 NE2_AB42_6 O_AB42_20 1 1.780535e-04 5.995257e-08 ; 2.637604e-01 1.322006e-01 3.120689e-03 7.354882e-04 0.000485 0.002166 True native_MD 7 57 194 NE2_AB42_6 N_AB42_21 1 6.247625e-04 7.533468e-07 ; 3.262471e-01 1.295313e-01 2.881106e-03 6.733219e-04 0.000485 0.002166 True native_MD 7 57 195 NE2_AB42_6 CA_AB42_21 1 1.665833e-03 5.021111e-06 ; 3.800681e-01 1.381666e-01 8.012187e-03 2.875352e-03 0.000485 0.001339 True native_MD 7 57 197 - NE2_AB42_6 CB_AB42_21 1 0.000000e+00 3.582825e-06 ; 3.133385e-01 -3.582825e-06 6.714937e-03 2.408990e-03 0.000485 0.000060 True native_MD 7 57 198 + NE2_AB42_6 CB_AB42_21 1 0.000000e+00 3.582776e-06 ; 3.133382e-01 -3.582776e-06 6.714937e-03 2.408990e-03 0.000485 0.000060 True native_MD 7 57 198 NE2_AB42_6 C_AB42_21 1 8.585367e-04 1.300295e-06 ; 3.388809e-01 1.417151e-01 4.148650e-03 9.895225e-04 0.000485 0.002166 True native_MD 7 57 199 NE2_AB42_6 O_AB42_21 1 1.586390e-04 4.605139e-08 ; 2.573192e-01 1.366209e-01 3.562047e-03 1.165877e-03 0.000485 0.002166 True native_MD 7 57 200 NE2_AB42_6 N_AB42_22 1 6.986910e-04 9.641553e-07 ; 3.336647e-01 1.265795e-01 2.637514e-03 2.347356e-04 0.000485 0.002166 True native_MD 7 57 201 NE2_AB42_6 CA_AB42_22 1 2.029463e-03 6.402413e-06 ; 3.829662e-01 1.608269e-01 7.874348e-03 1.434320e-03 0.000485 0.001339 True native_MD 7 57 203 NE2_AB42_6 CB_AB42_22 1 4.675492e-04 7.387430e-07 ; 3.412801e-01 7.397778e-02 7.012526e-03 7.663198e-04 0.000485 0.000060 True native_MD 7 57 204 - NE2_AB42_6 CG_AB42_22 1 0.000000e+00 4.791887e-06 ; 3.210238e-01 -4.791887e-06 7.581527e-03 1.237209e-03 0.000485 0.000060 True native_MD 7 57 205 + NE2_AB42_6 CG_AB42_22 1 0.000000e+00 4.791804e-06 ; 3.210233e-01 -4.791804e-06 7.581527e-03 1.237209e-03 0.000485 0.000060 True native_MD 7 57 205 NE2_AB42_6 CD_AB42_22 1 5.597466e-04 5.235344e-07 ; 3.127224e-01 1.496159e-01 5.255226e-03 1.818606e-03 0.000485 0.002166 True native_MD 7 57 206 NE2_AB42_6 OE1_AB42_22 1 1.292411e-04 3.132932e-08 ; 2.497038e-01 1.332877e-01 3.223879e-03 1.429289e-03 0.000485 0.002166 True native_MD 7 57 207 NE2_AB42_6 OE2_AB42_22 1 1.292411e-04 3.132932e-08 ; 2.497038e-01 1.332877e-01 3.223879e-03 1.429289e-03 0.000485 0.002166 True native_MD 7 57 208 @@ -15767,7 +15767,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 NE2_AB42_6 O_AB42_22 1 1.595654e-04 4.274692e-08 ; 2.538990e-01 1.489062e-01 5.144794e-03 8.370052e-04 0.000485 0.002166 True native_MD 7 57 210 NE2_AB42_6 N_AB42_23 1 1.405020e-03 4.215894e-06 ; 3.797821e-01 1.170619e-01 1.983802e-03 5.007991e-04 0.000485 0.002166 True native_MD 7 57 211 NE2_AB42_6 CA_AB42_23 1 2.130141e-03 7.086286e-06 ; 3.863685e-01 1.600803e-01 7.602412e-03 1.416074e-03 0.000485 0.001339 True native_MD 7 57 213 - NE2_AB42_6 CB_AB42_23 1 0.000000e+00 4.807054e-06 ; 3.211083e-01 -4.807054e-06 4.308019e-03 1.108718e-03 0.000485 0.000060 True native_MD 7 57 214 + NE2_AB42_6 CB_AB42_23 1 0.000000e+00 4.806971e-06 ; 3.211079e-01 -4.806971e-06 4.308019e-03 1.108718e-03 0.000485 0.000060 True native_MD 7 57 214 NE2_AB42_6 CG_AB42_23 1 4.874899e-04 4.639756e-07 ; 3.136329e-01 1.280490e-01 2.756091e-03 1.510699e-03 0.000485 0.002166 True native_MD 7 57 215 NE2_AB42_6 OD1_AB42_23 1 1.170829e-04 2.968401e-08 ; 2.515773e-01 1.154528e-01 1.890538e-03 7.839508e-04 0.000485 0.002166 True native_MD 7 57 216 NE2_AB42_6 OD2_AB42_23 1 1.170829e-04 2.968401e-08 ; 2.515773e-01 1.154528e-01 1.890538e-03 7.839508e-04 0.000485 0.002166 True native_MD 7 57 217 @@ -15775,9 +15775,9 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 NE2_AB42_6 O_AB42_23 1 2.707744e-04 1.128732e-07 ; 2.733153e-01 1.623919e-01 7.702597e-03 5.341826e-04 0.000485 0.002166 True native_MD 7 57 219 NE2_AB42_6 N_AB42_24 1 8.753136e-04 1.371282e-06 ; 3.407955e-01 1.396821e-01 3.903776e-03 3.786910e-04 0.000485 0.002166 True native_MD 7 57 220 NE2_AB42_6 CA_AB42_24 1 1.614656e-03 3.589019e-06 ; 3.612568e-01 1.816034e-01 1.493001e-02 1.460380e-03 0.000485 0.001339 True native_MD 7 57 222 - NE2_AB42_6 CB_AB42_24 1 0.000000e+00 9.812942e-06 ; 3.407833e-01 -9.812942e-06 1.441036e-02 1.897329e-03 0.000485 0.000060 True native_MD 7 57 223 + NE2_AB42_6 CB_AB42_24 1 0.000000e+00 9.812886e-06 ; 3.407831e-01 -9.812886e-06 1.441036e-02 1.897329e-03 0.000485 0.000060 True native_MD 7 57 223 NE2_AB42_6 CG1_AB42_24 1 4.509871e-04 6.963245e-07 ; 3.399705e-01 7.302249e-02 9.926736e-03 1.116240e-03 0.000485 0.000060 True native_MD 7 57 224 - NE2_AB42_6 CG2_AB42_24 1 0.000000e+00 3.570766e-06 ; 3.132505e-01 -3.570766e-06 9.513800e-03 1.856573e-03 0.000485 0.000060 True native_MD 7 57 225 + NE2_AB42_6 CG2_AB42_24 1 0.000000e+00 3.570717e-06 ; 3.132501e-01 -3.570717e-06 9.513800e-03 1.856573e-03 0.000485 0.000060 True native_MD 7 57 225 NE2_AB42_6 C_AB42_24 1 1.489626e-03 3.504418e-06 ; 3.646894e-01 1.582991e-01 6.814656e-03 7.504736e-04 0.000485 0.002166 True native_MD 7 57 226 NE2_AB42_6 O_AB42_24 1 1.818143e-04 6.098228e-08 ; 2.635902e-01 1.355166e-01 3.446256e-03 5.995953e-04 0.000485 0.002166 True native_MD 7 57 227 NE2_AB42_6 N_AB42_25 1 5.785494e-04 4.992509e-07 ; 3.085530e-01 1.676108e-01 9.004621e-03 8.916912e-04 0.000485 0.002166 True native_MD 7 57 228 @@ -15802,8 +15802,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 NE2_AB42_6 CA_AB42_28 1 1.762624e-03 4.614857e-06 ; 3.712500e-01 1.683066e-01 9.194080e-03 6.881772e-04 0.000485 0.001339 True native_MD 7 57 251 NE2_AB42_6 CB_AB42_28 1 5.769250e-04 9.114604e-07 ; 3.412739e-01 9.129372e-02 6.993634e-03 4.551860e-04 0.000485 0.000060 True native_MD 7 57 252 NE2_AB42_6 CG_AB42_28 1 7.677114e-04 1.474084e-06 ; 3.525500e-01 9.995710e-02 7.990271e-03 4.012846e-04 0.000485 0.000060 True native_MD 7 57 253 - NE2_AB42_6 CD_AB42_28 1 0.000000e+00 4.785279e-06 ; 3.209869e-01 -4.785279e-06 8.826793e-03 1.112180e-03 0.000485 0.000060 True native_MD 7 57 254 - NE2_AB42_6 CE_AB42_28 1 0.000000e+00 4.786198e-06 ; 3.209920e-01 -4.786198e-06 8.695193e-03 1.171133e-03 0.000485 0.000060 True native_MD 7 57 255 + NE2_AB42_6 CD_AB42_28 1 0.000000e+00 4.785196e-06 ; 3.209864e-01 -4.785196e-06 8.826793e-03 1.112180e-03 0.000485 0.000060 True native_MD 7 57 254 + NE2_AB42_6 CE_AB42_28 1 0.000000e+00 4.786115e-06 ; 3.209915e-01 -4.786115e-06 8.695193e-03 1.171133e-03 0.000485 0.000060 True native_MD 7 57 255 NE2_AB42_6 NZ_AB42_28 1 6.514738e-04 7.394627e-07 ; 3.229757e-01 1.434887e-01 4.374797e-03 6.886856e-04 0.000485 0.002166 True native_MD 7 57 256 NE2_AB42_6 C_AB42_28 1 7.340751e-04 9.630518e-07 ; 3.308655e-01 1.398851e-01 3.927562e-03 3.773789e-04 0.000485 0.002166 True native_MD 7 57 257 NE2_AB42_6 O_AB42_28 1 1.467827e-04 4.033742e-08 ; 2.549797e-01 1.335308e-01 3.247424e-03 4.302499e-04 0.000485 0.002166 True native_MD 7 57 258 @@ -15890,27 +15890,27 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 NE2_AB42_6 O_AB42_41 1 1.871684e-04 6.732998e-08 ; 2.666834e-01 1.300758e-01 2.928435e-03 3.002648e-04 0.000485 0.002166 True native_MD 7 57 353 NE2_AB42_6 N_AB42_42 1 7.209530e-04 1.065795e-06 ; 3.375161e-01 1.219214e-01 2.294330e-03 3.138382e-04 0.000485 0.002166 True native_MD 7 57 354 NE2_AB42_6 CA_AB42_42 1 1.351437e-03 2.949641e-06 ; 3.601601e-01 1.547970e-01 6.301172e-03 1.374742e-03 0.000485 0.001339 True native_MD 7 57 356 - NE2_AB42_6 CB_AB42_42 1 0.000000e+00 3.580965e-06 ; 3.133250e-01 -3.580965e-06 5.654535e-03 8.317798e-04 0.000485 0.000060 True native_MD 7 57 357 + NE2_AB42_6 CB_AB42_42 1 0.000000e+00 3.580916e-06 ; 3.133246e-01 -3.580916e-06 5.654535e-03 8.317798e-04 0.000485 0.000060 True native_MD 7 57 357 NE2_AB42_6 C_AB42_42 1 4.042974e-04 3.419834e-07 ; 3.075275e-01 1.194914e-01 2.133408e-03 8.481962e-04 0.000485 0.002166 True native_MD 7 57 358 NE2_AB42_6 O1_AB42_42 1 7.760057e-05 1.631970e-08 ; 2.438604e-01 9.224815e-02 9.440651e-04 5.003060e-04 0.000485 0.002166 True native_MD 7 57 359 NE2_AB42_6 O2_AB42_42 1 7.760057e-05 1.631970e-08 ; 2.438604e-01 9.224815e-02 9.440651e-04 5.003060e-04 0.000485 0.002166 True native_MD 7 57 360 - C_AB42_6 CB_AB42_7 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 63 - C_AB42_6 CG_AB42_7 1 0.000000e+00 2.384003e-06 ; 3.028800e-01 -2.384003e-06 9.718859e-01 8.893147e-01 0.000485 0.000060 True native_MD 4 58 64 - C_AB42_6 OD1_AB42_7 1 0.000000e+00 5.824589e-07 ; 2.693191e-01 -5.824589e-07 4.188437e-01 2.889628e-01 0.000485 0.000060 True native_MD 5 58 65 - C_AB42_6 OD2_AB42_7 1 0.000000e+00 5.824589e-07 ; 2.693191e-01 -5.824589e-07 4.188437e-01 2.889628e-01 0.000485 0.000060 True native_MD 5 58 66 - C_AB42_6 O_AB42_7 1 0.000000e+00 7.853375e-07 ; 2.761106e-01 -7.853375e-07 9.628022e-01 9.124899e-01 0.000485 0.000060 True native_MD 4 58 68 - C_AB42_6 N_AB42_8 1 0.000000e+00 1.489565e-06 ; 2.912393e-01 -1.489565e-06 9.883623e-01 9.760403e-01 0.000485 0.000060 True native_MD 4 58 69 - C_AB42_6 CA_AB42_8 1 0.000000e+00 1.224527e-05 ; 3.471302e-01 -1.224527e-05 9.321831e-01 8.703839e-01 0.000485 0.000060 True native_MD 5 58 71 - C_AB42_6 CB_AB42_8 1 0.000000e+00 6.289769e-06 ; 3.283834e-01 -6.289769e-06 2.504492e-01 2.434722e-01 0.000485 0.000060 True native_MD 6 58 72 + C_AB42_6 CB_AB42_7 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 63 + C_AB42_6 CG_AB42_7 1 0.000000e+00 2.383961e-06 ; 3.028795e-01 -2.383961e-06 9.718859e-01 8.893147e-01 0.000485 0.000060 True native_MD 4 58 64 + C_AB42_6 OD1_AB42_7 1 0.000000e+00 5.824564e-07 ; 2.693190e-01 -5.824564e-07 4.188437e-01 2.889628e-01 0.000485 0.000060 True native_MD 5 58 65 + C_AB42_6 OD2_AB42_7 1 0.000000e+00 5.824564e-07 ; 2.693190e-01 -5.824564e-07 4.188437e-01 2.889628e-01 0.000485 0.000060 True native_MD 5 58 66 + C_AB42_6 O_AB42_7 1 0.000000e+00 7.853338e-07 ; 2.761105e-01 -7.853338e-07 9.628022e-01 9.124899e-01 0.000485 0.000060 True native_MD 4 58 68 + C_AB42_6 N_AB42_8 1 0.000000e+00 1.489544e-06 ; 2.912389e-01 -1.489544e-06 9.883623e-01 9.760403e-01 0.000485 0.000060 True native_MD 4 58 69 + C_AB42_6 CA_AB42_8 1 0.000000e+00 1.224521e-05 ; 3.471300e-01 -1.224521e-05 9.321831e-01 8.703839e-01 0.000485 0.000060 True native_MD 5 58 71 + C_AB42_6 CB_AB42_8 1 0.000000e+00 6.289663e-06 ; 3.283830e-01 -6.289663e-06 2.504492e-01 2.434722e-01 0.000485 0.000060 True native_MD 6 58 72 C_AB42_6 OG_AB42_8 1 5.116067e-04 6.553216e-07 ; 3.295488e-01 9.985228e-02 2.996419e-02 5.475717e-02 0.000485 0.002166 True native_MD 7 58 73 - C_AB42_6 C_AB42_8 1 0.000000e+00 2.444314e-06 ; 3.035112e-01 -2.444314e-06 2.400429e-01 1.806810e-01 0.000485 0.000060 True native_MD 6 58 74 + C_AB42_6 C_AB42_8 1 0.000000e+00 2.444271e-06 ; 3.035108e-01 -2.444271e-06 2.400429e-01 1.806810e-01 0.000485 0.000060 True native_MD 6 58 74 C_AB42_6 O_AB42_8 1 9.042071e-04 1.501329e-06 ; 3.441132e-01 1.361445e-01 9.439711e-02 5.822656e-02 0.000485 0.002166 True native_MD 7 58 75 C_AB42_6 N_AB42_9 1 6.116359e-04 8.362253e-07 ; 3.331489e-01 1.118414e-01 1.716869e-01 2.191558e-01 0.000485 0.002166 True native_MD 7 58 76 C_AB42_6 CA_AB42_9 1 1.660426e-03 6.376533e-06 ; 3.957256e-01 1.080922e-01 1.637475e-01 1.709909e-01 0.000485 0.001584 True native_MD 7 58 78 C_AB42_6 C_AB42_9 1 2.080552e-03 8.352780e-06 ; 3.986656e-01 1.295585e-01 3.652368e-02 2.743600e-02 0.000485 0.002166 True native_MD 7 58 79 C_AB42_6 N_AB42_10 1 1.250903e-03 3.087111e-06 ; 3.676106e-01 1.267171e-01 3.413906e-02 2.792113e-02 0.000485 0.002166 True native_MD 7 58 81 C_AB42_6 CA_AB42_10 1 3.273863e-03 2.413639e-05 ; 4.411659e-01 1.110168e-01 5.163604e-02 4.175819e-02 0.000485 0.001339 True native_MD 7 58 83 - C_AB42_6 CB_AB42_10 1 0.000000e+00 6.223934e-06 ; 3.280956e-01 -6.223934e-06 6.462822e-02 4.725725e-02 0.000485 0.000060 True native_MD 7 58 84 + C_AB42_6 CB_AB42_10 1 0.000000e+00 6.223830e-06 ; 3.280951e-01 -6.223830e-06 6.462822e-02 4.725725e-02 0.000485 0.000060 True native_MD 7 58 84 C_AB42_6 CG_AB42_10 1 1.802240e-03 5.787038e-06 ; 3.840967e-01 1.403166e-01 2.269865e-02 1.888037e-02 0.000485 0.003309 True native_MD 7 58 85 C_AB42_6 CD1_AB42_10 1 1.009344e-03 1.803611e-06 ; 3.483512e-01 1.412132e-01 4.198334e-02 3.399658e-02 0.000485 0.003309 True native_MD 7 58 86 C_AB42_6 CD2_AB42_10 1 1.009344e-03 1.803611e-06 ; 3.483512e-01 1.412132e-01 4.198334e-02 3.399658e-02 0.000485 0.003309 True native_MD 7 58 87 @@ -15922,21 +15922,21 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_6 O_AB42_10 1 5.497999e-04 5.646228e-07 ; 3.176330e-01 1.338415e-01 8.509199e-03 5.623176e-03 0.000485 0.002166 True native_MD 7 58 93 C_AB42_6 N_AB42_11 1 1.618337e-03 4.415095e-06 ; 3.738051e-01 1.482989e-01 5.052128e-03 1.151706e-03 0.000485 0.002166 True native_MD 7 58 94 C_AB42_6 CA_AB42_11 1 3.355373e-03 1.928347e-05 ; 4.232277e-01 1.459609e-01 1.505843e-02 4.279689e-03 0.000485 0.001339 True native_MD 7 58 96 - C_AB42_6 CB_AB42_11 1 0.000000e+00 6.244627e-06 ; 3.281864e-01 -6.244627e-06 1.755016e-02 3.446177e-03 0.000485 0.000060 True native_MD 7 58 97 - C_AB42_6 CG_AB42_11 1 0.000000e+00 6.246607e-06 ; 3.281950e-01 -6.246607e-06 2.022136e-02 6.430040e-03 0.000485 0.000060 True native_MD 7 58 98 + C_AB42_6 CB_AB42_11 1 0.000000e+00 6.244522e-06 ; 3.281859e-01 -6.244522e-06 1.755016e-02 3.446177e-03 0.000485 0.000060 True native_MD 7 58 97 + C_AB42_6 CG_AB42_11 1 0.000000e+00 6.246502e-06 ; 3.281946e-01 -6.246502e-06 2.022136e-02 6.430040e-03 0.000485 0.000060 True native_MD 7 58 98 C_AB42_6 CD_AB42_11 1 1.998578e-03 6.452843e-06 ; 3.844486e-01 1.547502e-01 1.041924e-02 3.682768e-03 0.000485 0.002166 True native_MD 7 58 99 C_AB42_6 OE1_AB42_11 1 6.862897e-04 8.686181e-07 ; 3.288922e-01 1.355583e-01 4.005266e-03 2.514283e-03 0.000485 0.002166 True native_MD 7 58 100 C_AB42_6 OE2_AB42_11 1 6.862897e-04 8.686181e-07 ; 3.288922e-01 1.355583e-01 4.005266e-03 2.514283e-03 0.000485 0.002166 True native_MD 7 58 101 C_AB42_6 C_AB42_11 1 1.706982e-03 8.840355e-06 ; 4.159490e-01 8.240021e-02 7.030910e-04 1.356090e-04 0.000485 0.002166 True native_MD 7 58 102 C_AB42_6 O_AB42_11 1 7.073288e-04 1.238283e-06 ; 3.471627e-01 1.010096e-01 1.227077e-03 7.548526e-04 0.000485 0.002166 True native_MD 7 58 103 C_AB42_6 CA_AB42_12 1 3.390069e-03 1.983266e-05 ; 4.244847e-01 1.448692e-01 4.559324e-03 5.022495e-04 0.000485 0.001339 True native_MD 7 58 106 - C_AB42_6 CB_AB42_12 1 0.000000e+00 1.285354e-05 ; 3.485354e-01 -1.285354e-05 1.903189e-02 3.836741e-03 0.000485 0.000060 True native_MD 7 58 107 - C_AB42_6 CG1_AB42_12 1 0.000000e+00 4.654031e-06 ; 3.202438e-01 -4.654031e-06 1.931799e-02 4.065585e-03 0.000485 0.000060 True native_MD 7 58 108 - C_AB42_6 CG2_AB42_12 1 0.000000e+00 4.655569e-06 ; 3.202527e-01 -4.655569e-06 2.027950e-02 5.352570e-03 0.000485 0.000060 True native_MD 7 58 109 + C_AB42_6 CB_AB42_12 1 0.000000e+00 1.285347e-05 ; 3.485353e-01 -1.285347e-05 1.903189e-02 3.836741e-03 0.000485 0.000060 True native_MD 7 58 107 + C_AB42_6 CG1_AB42_12 1 0.000000e+00 4.653970e-06 ; 3.202435e-01 -4.653970e-06 1.931799e-02 4.065585e-03 0.000485 0.000060 True native_MD 7 58 108 + C_AB42_6 CG2_AB42_12 1 0.000000e+00 4.655508e-06 ; 3.202523e-01 -4.655508e-06 2.027950e-02 5.352570e-03 0.000485 0.000060 True native_MD 7 58 109 C_AB42_6 C_AB42_12 1 1.654082e-03 7.054703e-06 ; 4.027049e-01 9.695616e-02 1.086902e-03 9.097033e-05 0.000485 0.002166 True native_MD 7 58 110 C_AB42_6 O_AB42_12 1 5.263935e-04 7.349660e-07 ; 3.343178e-01 9.425271e-02 1.002431e-03 2.959732e-04 0.000485 0.002166 True native_MD 7 58 111 C_AB42_6 CA_AB42_13 1 3.554828e-03 2.619445e-05 ; 4.411285e-01 1.206057e-01 2.205748e-03 1.207666e-03 0.000485 0.001339 True native_MD 7 58 114 - C_AB42_6 CB_AB42_13 1 0.000000e+00 6.333207e-06 ; 3.285718e-01 -6.333207e-06 2.509343e-03 2.390240e-03 0.000485 0.000060 True native_MD 7 58 115 + C_AB42_6 CB_AB42_13 1 0.000000e+00 6.333100e-06 ; 3.285714e-01 -6.333100e-06 2.509343e-03 2.390240e-03 0.000485 0.000060 True native_MD 7 58 115 C_AB42_6 CG_AB42_13 1 1.510909e-03 5.108427e-06 ; 3.874135e-01 1.117197e-01 1.690700e-03 1.807189e-03 0.000485 0.002166 True native_MD 7 58 116 C_AB42_6 ND1_AB42_13 1 1.294833e-03 3.568336e-06 ; 3.744340e-01 1.174632e-01 3.086218e-03 3.329507e-03 0.000485 0.002166 True native_MD 7 58 117 C_AB42_6 CD2_AB42_13 1 1.466802e-03 3.839514e-06 ; 3.712366e-01 1.400899e-01 4.351813e-03 3.644410e-03 0.000485 0.003309 True native_MD 7 58 118 @@ -15944,7 +15944,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_6 NE2_AB42_13 1 7.242372e-04 1.142527e-06 ; 3.411910e-01 1.147718e-01 5.843170e-03 6.832532e-03 0.000485 0.002166 True native_MD 7 58 120 C_AB42_6 O_AB42_13 1 3.004248e-04 2.885262e-07 ; 3.141051e-01 7.820351e-02 6.201095e-04 3.521348e-04 0.000485 0.002166 True native_MD 7 58 122 C_AB42_6 CA_AB42_14 1 2.452867e-03 1.272595e-05 ; 4.160729e-01 1.181946e-01 2.052197e-03 4.786924e-04 0.000485 0.001339 True native_MD 7 58 125 - C_AB42_6 CB_AB42_14 1 0.000000e+00 6.315621e-06 ; 3.284957e-01 -6.315621e-06 3.679034e-03 7.836046e-04 0.000485 0.000060 True native_MD 7 58 126 + C_AB42_6 CB_AB42_14 1 0.000000e+00 6.315515e-06 ; 3.284952e-01 -6.315515e-06 3.679034e-03 7.836046e-04 0.000485 0.000060 True native_MD 7 58 126 C_AB42_6 CG_AB42_14 1 1.661838e-03 5.040148e-06 ; 3.804601e-01 1.369854e-01 3.601111e-03 5.076786e-04 0.000485 0.002166 True native_MD 7 58 127 C_AB42_6 ND1_AB42_14 1 1.134141e-03 2.117358e-06 ; 3.509036e-01 1.518728e-01 5.622426e-03 1.040879e-03 0.000485 0.002166 True native_MD 7 58 128 C_AB42_6 CD2_AB42_14 1 1.414976e-03 3.048612e-06 ; 3.593841e-01 1.641859e-01 8.127432e-03 1.976411e-03 0.000485 0.003309 True native_MD 7 58 129 @@ -15954,8 +15954,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_6 O_AB42_14 1 5.680464e-04 1.066638e-06 ; 3.512413e-01 7.562938e-02 5.741341e-04 1.159849e-04 0.000485 0.002166 True native_MD 7 58 133 C_AB42_6 N_AB42_15 1 7.520823e-04 1.687480e-06 ; 3.618225e-01 8.379771e-02 7.331188e-04 5.002340e-05 0.000485 0.002166 True native_MD 7 58 134 C_AB42_6 CA_AB42_15 1 2.305507e-03 1.060532e-05 ; 4.078116e-01 1.252995e-01 2.538394e-03 5.361000e-04 0.000485 0.001339 True native_MD 7 58 136 - C_AB42_6 CB_AB42_15 1 0.000000e+00 6.321562e-06 ; 3.285214e-01 -6.321562e-06 2.544162e-03 5.866151e-04 0.000485 0.000060 True native_MD 7 58 137 - C_AB42_6 CG_AB42_15 1 0.000000e+00 6.315926e-06 ; 3.284970e-01 -6.315926e-06 3.923811e-03 1.076421e-03 0.000485 0.000060 True native_MD 7 58 138 + C_AB42_6 CB_AB42_15 1 0.000000e+00 6.321456e-06 ; 3.285210e-01 -6.321456e-06 2.544162e-03 5.866151e-04 0.000485 0.000060 True native_MD 7 58 137 + C_AB42_6 CG_AB42_15 1 0.000000e+00 6.315820e-06 ; 3.284965e-01 -6.315820e-06 3.923811e-03 1.076421e-03 0.000485 0.000060 True native_MD 7 58 138 C_AB42_6 CD_AB42_15 1 2.130369e-03 6.844572e-06 ; 3.841333e-01 1.657690e-01 8.521744e-03 7.410722e-04 0.000485 0.002166 True native_MD 7 58 139 C_AB42_6 OE1_AB42_15 1 7.653768e-04 9.752845e-07 ; 3.292628e-01 1.501617e-01 5.341773e-03 7.571218e-04 0.000485 0.002166 True native_MD 7 58 140 C_AB42_6 NE2_AB42_15 1 9.510335e-04 1.240526e-06 ; 3.305484e-01 1.822744e-01 1.396507e-02 1.589467e-03 0.000485 0.002166 True native_MD 7 58 141 @@ -15973,18 +15973,18 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_6 CA_AB42_17 1 3.414480e-03 2.147047e-05 ; 4.296217e-01 1.357524e-01 3.470663e-03 9.908901e-05 0.000485 0.001339 True native_MD 7 58 156 C_AB42_6 CB_AB42_17 1 2.047712e-03 9.081039e-06 ; 4.053322e-01 1.154363e-01 5.039520e-03 1.592583e-04 0.000485 0.000060 True native_MD 7 58 157 C_AB42_6 CG_AB42_17 1 1.907808e-03 1.266880e-05 ; 4.335443e-01 7.182472e-02 7.167654e-03 8.354012e-04 0.000485 0.000060 True native_MD 7 58 158 - C_AB42_6 CD1_AB42_17 1 0.000000e+00 4.697754e-06 ; 3.204935e-01 -4.697754e-06 6.863962e-03 8.629269e-04 0.000485 0.000060 True native_MD 7 58 159 - C_AB42_6 CD2_AB42_17 1 0.000000e+00 4.715552e-06 ; 3.205945e-01 -4.715552e-06 3.141929e-03 9.067993e-04 0.000485 0.000060 True native_MD 7 58 160 + C_AB42_6 CD1_AB42_17 1 0.000000e+00 4.697693e-06 ; 3.204931e-01 -4.697693e-06 6.863962e-03 8.629269e-04 0.000485 0.000060 True native_MD 7 58 159 + C_AB42_6 CD2_AB42_17 1 0.000000e+00 4.715491e-06 ; 3.205941e-01 -4.715491e-06 3.141929e-03 9.067993e-04 0.000485 0.000060 True native_MD 7 58 160 C_AB42_6 C_AB42_17 1 2.152976e-03 1.144609e-05 ; 4.177691e-01 1.012421e-01 1.235643e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 58 161 C_AB42_6 O_AB42_17 1 7.756378e-04 1.460455e-06 ; 3.514025e-01 1.029840e-01 1.301763e-03 7.980392e-05 0.000485 0.002166 True native_MD 7 58 162 C_AB42_6 CA_AB42_18 1 3.707913e-03 3.031907e-05 ; 4.488464e-01 1.133661e-01 1.776092e-03 2.036323e-04 0.000485 0.001339 True native_MD 7 58 165 C_AB42_6 CB_AB42_18 1 1.516204e-03 8.206858e-06 ; 4.190217e-01 7.002906e-02 5.624022e-03 6.916761e-04 0.000485 0.000060 True native_MD 7 58 166 - C_AB42_6 CG1_AB42_18 1 0.000000e+00 4.713852e-06 ; 3.205849e-01 -4.713852e-06 3.490757e-03 8.958625e-04 0.000485 0.000060 True native_MD 7 58 167 - C_AB42_6 CG2_AB42_18 1 0.000000e+00 4.708224e-06 ; 3.205529e-01 -4.708224e-06 4.379897e-03 5.942480e-04 0.000485 0.000060 True native_MD 7 58 168 + C_AB42_6 CG1_AB42_18 1 0.000000e+00 4.713790e-06 ; 3.205845e-01 -4.713790e-06 3.490757e-03 8.958625e-04 0.000485 0.000060 True native_MD 7 58 167 + C_AB42_6 CG2_AB42_18 1 0.000000e+00 4.708163e-06 ; 3.205526e-01 -4.708163e-06 4.379897e-03 5.942480e-04 0.000485 0.000060 True native_MD 7 58 168 C_AB42_6 C_AB42_18 1 1.678310e-03 8.106911e-06 ; 4.111471e-01 8.686180e-02 8.035211e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 58 169 C_AB42_6 O_AB42_18 1 5.597982e-04 7.471527e-07 ; 3.318152e-01 1.048561e-01 1.376775e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 58 170 C_AB42_6 CA_AB42_19 1 3.417514e-03 2.275282e-05 ; 4.337314e-01 1.283291e-01 2.779294e-03 3.133183e-04 0.000485 0.001339 True native_MD 7 58 173 - C_AB42_6 CB_AB42_19 1 0.000000e+00 6.323315e-06 ; 3.285290e-01 -6.323315e-06 2.435838e-03 7.549913e-04 0.000485 0.000060 True native_MD 7 58 174 + C_AB42_6 CB_AB42_19 1 0.000000e+00 6.323208e-06 ; 3.285286e-01 -6.323208e-06 2.435838e-03 7.549913e-04 0.000485 0.000060 True native_MD 7 58 174 C_AB42_6 CG_AB42_19 1 1.662738e-03 5.905555e-06 ; 3.906065e-01 1.170380e-01 1.982381e-03 4.024149e-04 0.000485 0.003309 True native_MD 7 58 175 C_AB42_6 CD1_AB42_19 1 1.541829e-03 4.274736e-06 ; 3.748109e-01 1.390282e-01 3.828129e-03 6.444869e-04 0.000485 0.003309 True native_MD 7 58 176 C_AB42_6 CD2_AB42_19 1 1.541829e-03 4.274736e-06 ; 3.748109e-01 1.390282e-01 3.828129e-03 6.444869e-04 0.000485 0.003309 True native_MD 7 58 177 @@ -15993,7 +15993,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_6 CZ_AB42_19 1 1.132150e-03 2.123899e-06 ; 3.511869e-01 1.508738e-01 5.456819e-03 2.086049e-03 0.000485 0.003309 True native_MD 7 58 180 C_AB42_6 O_AB42_19 1 5.755104e-04 1.027331e-06 ; 3.482915e-01 8.060016e-02 6.662188e-04 8.062653e-05 0.000485 0.002166 True native_MD 7 58 182 C_AB42_6 CA_AB42_20 1 2.896601e-03 1.804336e-05 ; 4.289481e-01 1.162519e-01 1.936291e-03 2.086035e-04 0.000485 0.001339 True native_MD 7 58 185 - C_AB42_6 CB_AB42_20 1 0.000000e+00 6.318613e-06 ; 3.285087e-01 -6.318613e-06 2.846118e-03 4.229382e-04 0.000485 0.000060 True native_MD 7 58 186 + C_AB42_6 CB_AB42_20 1 0.000000e+00 6.318507e-06 ; 3.285082e-01 -6.318507e-06 2.846118e-03 4.229382e-04 0.000485 0.000060 True native_MD 7 58 186 C_AB42_6 CG_AB42_20 1 1.591634e-03 5.669125e-06 ; 3.907918e-01 1.117147e-01 1.690449e-03 1.840812e-04 0.000485 0.003309 True native_MD 7 58 187 C_AB42_6 CD1_AB42_20 1 1.135638e-03 2.429715e-06 ; 3.589654e-01 1.326981e-01 3.167499e-03 3.949563e-04 0.000485 0.003309 True native_MD 7 58 188 C_AB42_6 CD2_AB42_20 1 1.135638e-03 2.429715e-06 ; 3.589654e-01 1.326981e-01 3.167499e-03 3.949563e-04 0.000485 0.003309 True native_MD 7 58 189 @@ -16001,12 +16001,12 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_6 CE2_AB42_20 1 1.371235e-03 3.012941e-06 ; 3.605619e-01 1.560175e-01 6.364890e-03 1.135150e-03 0.000485 0.003309 True native_MD 7 58 191 C_AB42_6 CZ_AB42_20 1 1.109669e-03 1.894361e-06 ; 3.457097e-01 1.625040e-01 7.728483e-03 1.604198e-03 0.000485 0.003309 True native_MD 7 58 192 C_AB42_6 CA_AB42_21 1 2.968608e-03 2.033900e-05 ; 4.358089e-01 1.083218e-01 1.527236e-03 4.049624e-04 0.000485 0.001339 True native_MD 7 58 197 - C_AB42_6 CB_AB42_21 1 0.000000e+00 4.721902e-06 ; 3.206304e-01 -4.721902e-06 1.645508e-03 7.538670e-04 0.000485 0.000060 True native_MD 7 58 198 + C_AB42_6 CB_AB42_21 1 0.000000e+00 4.721840e-06 ; 3.206301e-01 -4.721840e-06 1.645508e-03 7.538670e-04 0.000485 0.000060 True native_MD 7 58 198 C_AB42_6 CA_AB42_22 1 2.535176e-03 1.474769e-05 ; 4.240847e-01 1.089513e-01 1.556278e-03 5.666442e-05 0.000485 0.001339 True native_MD 7 58 203 C_AB42_6 CB_AB42_22 1 1.492351e-03 5.846605e-06 ; 3.970442e-01 9.523092e-02 1.032210e-03 4.999691e-05 0.000485 0.000060 True native_MD 7 58 204 C_AB42_6 CG_AB42_22 1 2.511125e-03 1.806703e-05 ; 4.393761e-01 8.725487e-02 8.365884e-04 6.144540e-05 0.000485 0.000060 True native_MD 7 58 205 C_AB42_6 O_AB42_22 1 5.155867e-04 7.803880e-07 ; 3.388453e-01 8.515945e-02 7.636116e-04 5.594235e-05 0.000485 0.002166 True native_MD 7 58 210 - C_AB42_6 CB_AB42_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 214 + C_AB42_6 CB_AB42_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 214 C_AB42_6 CA_AB42_24 1 3.540795e-03 2.104133e-05 ; 4.255939e-01 1.489596e-01 5.153016e-03 1.025903e-04 0.000485 0.001339 True native_MD 7 58 222 C_AB42_6 CB_AB42_24 1 1.867034e-03 9.155040e-06 ; 4.121779e-01 9.518848e-02 1.111360e-02 6.437568e-04 0.000485 0.000060 True native_MD 7 58 223 C_AB42_6 CG1_AB42_24 1 7.836485e-04 1.448985e-06 ; 3.503406e-01 1.059543e-01 1.100490e-02 4.618842e-04 0.000485 0.000060 True native_MD 7 58 224 @@ -16019,7 +16019,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_6 O_AB42_25 1 7.143156e-04 1.010561e-06 ; 3.350519e-01 1.262286e-01 2.609967e-03 7.818481e-05 0.000485 0.002166 True native_MD 7 58 232 C_AB42_6 N_AB42_26 1 8.742258e-04 2.133618e-06 ; 3.669291e-01 8.955104e-02 8.708602e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 58 233 C_AB42_6 CA_AB42_26 1 2.214278e-03 9.740467e-06 ; 4.047852e-01 1.258417e-01 2.579919e-03 3.057199e-04 0.000485 0.001339 True native_MD 7 58 235 - C_AB42_6 CB_AB42_26 1 0.000000e+00 6.322298e-06 ; 3.285246e-01 -6.322298e-06 2.313837e-03 4.724431e-04 0.000485 0.000060 True native_MD 7 58 236 + C_AB42_6 CB_AB42_26 1 0.000000e+00 6.322192e-06 ; 3.285242e-01 -6.322192e-06 2.313837e-03 4.724431e-04 0.000485 0.000060 True native_MD 7 58 236 C_AB42_6 OG_AB42_26 1 6.362659e-04 8.194638e-07 ; 3.298490e-01 1.235058e-01 2.405735e-03 2.006285e-04 0.000485 0.002166 True native_MD 7 58 237 C_AB42_6 C_AB42_26 1 1.533821e-03 7.613077e-06 ; 4.130135e-01 7.725543e-02 6.027630e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 58 238 C_AB42_6 O_AB42_26 1 6.470712e-04 1.213473e-06 ; 3.511664e-01 8.626092e-02 7.892015e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 58 239 @@ -16040,7 +16040,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_6 CA_AB42_29 1 7.907606e-04 1.307854e-06 ; 3.438896e-01 1.195284e-01 2.135766e-03 2.249441e-04 0.000485 0.001584 True native_MD 7 58 261 C_AB42_6 C_AB42_29 1 1.751680e-03 8.666993e-06 ; 4.127961e-01 8.850767e-02 8.440889e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 58 262 C_AB42_6 CA_AB42_30 1 1.719973e-03 6.786680e-06 ; 3.975172e-01 1.089748e-01 1.557371e-03 4.134616e-04 0.000485 0.001339 True native_MD 7 58 266 - C_AB42_6 CB_AB42_30 1 0.000000e+00 4.717315e-06 ; 3.206045e-01 -4.717315e-06 2.322545e-03 4.604592e-04 0.000485 0.000060 True native_MD 7 58 267 + C_AB42_6 CB_AB42_30 1 0.000000e+00 4.717254e-06 ; 3.206041e-01 -4.717254e-06 2.322545e-03 4.604592e-04 0.000485 0.000060 True native_MD 7 58 267 C_AB42_6 O_AB42_30 1 5.159785e-04 8.077960e-07 ; 3.407572e-01 8.239513e-02 7.029842e-04 3.559511e-05 0.000485 0.002166 True native_MD 7 58 269 C_AB42_6 CA_AB42_31 1 2.713209e-03 1.536081e-05 ; 4.221711e-01 1.198098e-01 2.153833e-03 0.000000e+00 0.000485 0.001339 True native_MD 7 58 272 C_AB42_6 CB_AB42_31 1 2.587047e-03 1.501342e-05 ; 4.239154e-01 1.114471e-01 3.638134e-03 1.295501e-04 0.000485 0.000060 True native_MD 7 58 273 @@ -16119,15 +16119,15 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_6 C_AB42_42 1 1.149574e-03 4.086358e-06 ; 3.906609e-01 8.084952e-02 6.712090e-04 8.924591e-05 0.000485 0.002166 True native_MD 7 58 358 O_AB42_6 O_AB42_6 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 59 59 O_AB42_6 H_AB42_7 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 59 61 - O_AB42_6 CB_AB42_7 1 0.000000e+00 2.015645e-06 ; 2.986731e-01 -2.015645e-06 9.999914e-01 9.999859e-01 0.000485 0.000060 True native_MD 4 59 63 - O_AB42_6 CG_AB42_7 1 0.000000e+00 8.752996e-07 ; 2.786173e-01 -8.752996e-07 2.365737e-01 2.950502e-01 0.000485 0.000060 True native_MD 5 59 64 + O_AB42_6 CB_AB42_7 1 0.000000e+00 2.015638e-06 ; 2.986731e-01 -2.015638e-06 9.999914e-01 9.999859e-01 0.000485 0.000060 True native_MD 4 59 63 + O_AB42_6 CG_AB42_7 1 0.000000e+00 8.752955e-07 ; 2.786172e-01 -8.752955e-07 2.365737e-01 2.950502e-01 0.000485 0.000060 True native_MD 5 59 64 O_AB42_6 OD1_AB42_7 1 0.000000e+00 1.492299e-06 ; 2.912838e-01 -1.492299e-06 2.693637e-01 2.642297e-01 0.000485 0.000060 True native_MD 6 59 65 O_AB42_6 OD2_AB42_7 1 0.000000e+00 1.492299e-06 ; 2.912838e-01 -1.492299e-06 2.693637e-01 2.642297e-01 0.000485 0.000060 True native_MD 6 59 66 - O_AB42_6 C_AB42_7 1 0.000000e+00 8.244742e-07 ; 2.772318e-01 -8.244742e-07 9.998970e-01 9.969117e-01 0.000485 0.000060 True native_MD 4 59 67 + O_AB42_6 C_AB42_7 1 0.000000e+00 8.244704e-07 ; 2.772317e-01 -8.244704e-07 9.998970e-01 9.969117e-01 0.000485 0.000060 True native_MD 4 59 67 O_AB42_6 O_AB42_7 1 0.000000e+00 1.355865e-06 ; 2.889657e-01 -1.355865e-06 9.635988e-01 8.675085e-01 0.000485 0.000060 True native_MD 5 59 68 O_AB42_6 N_AB42_8 1 0.000000e+00 1.417151e-06 ; 2.900323e-01 -1.417151e-06 9.641241e-01 9.088914e-01 0.000485 0.000060 True native_MD 5 59 69 - O_AB42_6 H_AB42_8 1 0.000000e+00 1.455569e-08 ; 1.980376e-01 -1.455569e-08 2.226616e-01 1.607578e-01 0.000485 0.000060 True native_MD 6 59 70 - O_AB42_6 CA_AB42_8 1 0.000000e+00 3.478417e-06 ; 3.125672e-01 -3.478417e-06 7.681392e-01 6.056067e-01 0.000485 0.000060 True native_MD 6 59 71 + O_AB42_6 H_AB42_8 1 0.000000e+00 1.455592e-08 ; 1.980379e-01 -1.455592e-08 2.226616e-01 1.607578e-01 0.000485 0.000060 True native_MD 6 59 70 + O_AB42_6 CA_AB42_8 1 0.000000e+00 3.478444e-06 ; 3.125675e-01 -3.478444e-06 7.681392e-01 6.056067e-01 0.000485 0.000060 True native_MD 6 59 71 O_AB42_6 CB_AB42_8 1 8.838338e-04 1.794994e-06 ; 3.558624e-01 1.087973e-01 1.714289e-01 1.317492e-01 0.000485 0.001191 True native_MD 7 59 72 O_AB42_6 OG_AB42_8 1 9.396924e-05 2.418926e-08 ; 2.522161e-01 9.126177e-02 2.981591e-02 7.046055e-02 0.000485 0.002166 True native_MD 7 59 73 O_AB42_6 C_AB42_8 1 1.155341e-03 2.362343e-06 ; 3.562642e-01 1.412594e-01 1.996923e-01 1.056932e-01 0.000485 0.002166 True native_MD 7 59 74 @@ -16404,20 +16404,20 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 O_AB42_6 CB_AB42_42 1 3.942477e-04 2.720557e-07 ; 2.972680e-01 1.428304e-01 4.289458e-03 2.543763e-04 0.000485 0.001191 True native_MD 7 59 357 O_AB42_6 O1_AB42_42 1 8.659192e-04 2.512119e-06 ; 3.776537e-01 7.461989e-02 1.255433e-03 1.345810e-04 0.000485 0.000060 True native_MD 7 59 359 O_AB42_6 O2_AB42_42 1 8.659192e-04 2.512119e-06 ; 3.776537e-01 7.461989e-02 1.255433e-03 1.345810e-04 0.000485 0.000060 True native_MD 7 59 360 - N_AB42_7 CB_AB42_7 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 60 63 + N_AB42_7 CB_AB42_7 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 60 63 N_AB42_7 OD1_AB42_7 1 0.000000e+00 1.437221e-06 ; 2.903724e-01 -1.437221e-06 9.754925e-01 9.336399e-01 0.000485 0.000060 True native_MD 4 60 65 N_AB42_7 OD2_AB42_7 1 0.000000e+00 1.437221e-06 ; 2.903724e-01 -1.437221e-06 9.754925e-01 9.336399e-01 0.000485 0.000060 True native_MD 4 60 66 - N_AB42_7 CA_AB42_8 1 0.000000e+00 7.574758e-06 ; 3.335102e-01 -7.574758e-06 1.000000e+00 9.999688e-01 0.000485 0.000060 True native_MD 4 60 71 - N_AB42_7 CB_AB42_8 1 0.000000e+00 3.821295e-06 ; 3.150256e-01 -3.821295e-06 2.949651e-01 3.344674e-01 0.000485 0.000060 True native_MD 5 60 72 - N_AB42_7 OG_AB42_8 1 0.000000e+00 6.701984e-07 ; 2.724867e-01 -6.701984e-07 1.037046e-02 2.158301e-02 0.000485 0.000060 True native_MD 6 60 73 - N_AB42_7 C_AB42_8 1 0.000000e+00 1.454486e-06 ; 2.906615e-01 -1.454486e-06 1.249290e-01 8.934732e-02 0.000485 0.000060 True native_MD 5 60 74 + N_AB42_7 CA_AB42_8 1 0.000000e+00 7.574747e-06 ; 3.335101e-01 -7.574747e-06 1.000000e+00 9.999688e-01 0.000485 0.000060 True native_MD 4 60 71 + N_AB42_7 CB_AB42_8 1 0.000000e+00 3.821245e-06 ; 3.150253e-01 -3.821245e-06 2.949651e-01 3.344674e-01 0.000485 0.000060 True native_MD 5 60 72 + N_AB42_7 OG_AB42_8 1 0.000000e+00 6.701901e-07 ; 2.724864e-01 -6.701901e-07 1.037046e-02 2.158301e-02 0.000485 0.000060 True native_MD 6 60 73 + N_AB42_7 C_AB42_8 1 0.000000e+00 1.454466e-06 ; 2.906611e-01 -1.454466e-06 1.249290e-01 8.934732e-02 0.000485 0.000060 True native_MD 5 60 74 N_AB42_7 O_AB42_8 1 0.000000e+00 1.431654e-06 ; 2.902785e-01 -1.431654e-06 1.263518e-01 8.078788e-02 0.000485 0.000060 True native_MD 6 60 75 - N_AB42_7 N_AB42_9 1 0.000000e+00 8.912538e-07 ; 2.790370e-01 -8.912538e-07 1.216237e-01 1.398574e-01 0.000485 0.000060 True native_MD 6 60 76 + N_AB42_7 N_AB42_9 1 0.000000e+00 8.912445e-07 ; 2.790368e-01 -8.912445e-07 1.216237e-01 1.398574e-01 0.000485 0.000060 True native_MD 6 60 76 N_AB42_7 CA_AB42_9 1 2.943698e-03 2.033415e-05 ; 4.364041e-01 1.065370e-01 2.380488e-02 2.604250e-02 0.000485 0.001584 True native_MD 7 60 78 N_AB42_7 O_AB42_9 1 1.406883e-03 3.798919e-06 ; 3.731645e-01 1.302555e-01 6.478172e-03 4.766048e-03 0.000485 0.002166 True native_MD 7 60 80 - N_AB42_7 N_AB42_10 1 0.000000e+00 8.745458e-07 ; 2.785973e-01 -8.745458e-07 1.621740e-03 7.669551e-04 0.000485 0.000060 True native_MD 7 60 81 + N_AB42_7 N_AB42_10 1 0.000000e+00 8.745366e-07 ; 2.785970e-01 -8.745366e-07 1.621740e-03 7.669551e-04 0.000485 0.000060 True native_MD 7 60 81 N_AB42_7 CA_AB42_10 1 4.872386e-03 4.067836e-05 ; 4.504054e-01 1.459016e-01 2.144494e-02 6.105673e-03 0.000485 0.001339 True native_MD 7 60 83 - N_AB42_7 CB_AB42_10 1 0.000000e+00 3.532418e-06 ; 3.129688e-01 -3.532418e-06 5.926253e-02 2.018191e-02 0.000485 0.000060 True native_MD 7 60 84 + N_AB42_7 CB_AB42_10 1 0.000000e+00 3.532372e-06 ; 3.129684e-01 -3.532372e-06 5.926253e-02 2.018191e-02 0.000485 0.000060 True native_MD 7 60 84 N_AB42_7 CG_AB42_10 1 2.363650e-03 9.071975e-06 ; 3.956882e-01 1.539588e-01 7.341289e-03 4.059633e-03 0.000485 0.003309 True native_MD 7 60 85 N_AB42_7 CD1_AB42_10 1 1.036784e-03 1.772482e-06 ; 3.457925e-01 1.516123e-01 2.426920e-02 1.439681e-02 0.000485 0.003309 True native_MD 7 60 86 N_AB42_7 CD2_AB42_10 1 1.036784e-03 1.772482e-06 ; 3.457925e-01 1.516123e-01 2.426920e-02 1.439681e-02 0.000485 0.003309 True native_MD 7 60 87 @@ -16430,20 +16430,20 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_7 N_AB42_11 1 1.440364e-03 4.092388e-06 ; 3.763432e-01 1.267382e-01 2.650069e-03 0.000000e+00 0.000485 0.000060 True native_MD 7 60 94 N_AB42_7 CA_AB42_11 1 4.316922e-03 2.739427e-05 ; 4.302765e-01 1.700704e-01 9.692399e-03 8.066124e-04 0.000485 0.001339 True native_MD 7 60 96 N_AB42_7 CB_AB42_11 1 8.888447e-04 2.212086e-06 ; 3.681256e-01 8.928734e-02 1.014591e-02 7.012183e-04 0.000485 0.000060 True native_MD 7 60 97 - N_AB42_7 CG_AB42_11 1 0.000000e+00 3.646613e-06 ; 3.137997e-01 -3.646613e-06 1.036193e-02 2.345585e-03 0.000485 0.000060 True native_MD 7 60 98 + N_AB42_7 CG_AB42_11 1 0.000000e+00 3.646565e-06 ; 3.137993e-01 -3.646565e-06 1.036193e-02 2.345585e-03 0.000485 0.000060 True native_MD 7 60 98 N_AB42_7 CD_AB42_11 1 7.789116e-04 1.074115e-06 ; 3.336264e-01 1.412100e-01 4.086420e-03 1.261815e-03 0.000485 0.002166 True native_MD 7 60 99 N_AB42_7 OE1_AB42_11 1 1.611259e-04 4.759545e-08 ; 2.580675e-01 1.363657e-01 5.361802e-03 3.285536e-03 0.000485 0.002166 True native_MD 7 60 100 N_AB42_7 OE2_AB42_11 1 1.611259e-04 4.759545e-08 ; 2.580675e-01 1.363657e-01 5.361802e-03 3.285536e-03 0.000485 0.002166 True native_MD 7 60 101 N_AB42_7 O_AB42_11 1 6.223730e-04 1.236893e-06 ; 3.545795e-01 7.829053e-02 6.217265e-04 2.821578e-04 0.000485 0.002166 True native_MD 7 60 103 N_AB42_7 N_AB42_12 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.270253e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 60 104 N_AB42_7 CA_AB42_12 1 2.801514e-03 1.633116e-05 ; 4.242326e-01 1.201458e-01 2.175595e-03 2.327073e-04 0.000485 0.001339 True native_MD 7 60 106 - N_AB42_7 CB_AB42_12 1 0.000000e+00 7.502043e-06 ; 3.332422e-01 -7.502043e-06 1.115859e-02 1.527950e-03 0.000485 0.000060 True native_MD 7 60 107 - N_AB42_7 CG1_AB42_12 1 0.000000e+00 2.714465e-06 ; 3.061743e-01 -2.714465e-06 1.239935e-02 2.022991e-03 0.000485 0.000060 True native_MD 7 60 108 - N_AB42_7 CG2_AB42_12 1 0.000000e+00 2.715080e-06 ; 3.061801e-01 -2.715080e-06 1.263564e-02 2.483785e-03 0.000485 0.000060 True native_MD 7 60 109 + N_AB42_7 CB_AB42_12 1 0.000000e+00 7.502031e-06 ; 3.332421e-01 -7.502031e-06 1.115859e-02 1.527950e-03 0.000485 0.000060 True native_MD 7 60 107 + N_AB42_7 CG1_AB42_12 1 0.000000e+00 2.714439e-06 ; 3.061740e-01 -2.714439e-06 1.239935e-02 2.022991e-03 0.000485 0.000060 True native_MD 7 60 108 + N_AB42_7 CG2_AB42_12 1 0.000000e+00 2.715055e-06 ; 3.061798e-01 -2.715055e-06 1.263564e-02 2.483785e-03 0.000485 0.000060 True native_MD 7 60 109 N_AB42_7 O_AB42_12 1 9.047696e-04 2.527108e-06 ; 3.752733e-01 8.098270e-02 6.738894e-04 2.504635e-04 0.000485 0.002166 True native_MD 7 60 111 N_AB42_7 N_AB42_13 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 60 112 N_AB42_7 CA_AB42_13 1 2.095764e-03 1.027995e-05 ; 4.122001e-01 1.068154e-01 1.459913e-03 4.422373e-04 0.000485 0.001339 True native_MD 7 60 114 - N_AB42_7 CB_AB42_13 1 0.000000e+00 3.672168e-06 ; 3.139823e-01 -3.672168e-06 2.029157e-03 9.645213e-04 0.000485 0.000060 True native_MD 7 60 115 + N_AB42_7 CB_AB42_13 1 0.000000e+00 3.672120e-06 ; 3.139820e-01 -3.672120e-06 2.029157e-03 9.645213e-04 0.000485 0.000060 True native_MD 7 60 115 N_AB42_7 CG_AB42_13 1 5.837455e-04 9.330060e-07 ; 3.419349e-01 9.130669e-02 9.178381e-04 3.908422e-04 0.000485 0.002166 True native_MD 7 60 116 N_AB42_7 ND1_AB42_13 1 2.780263e-04 1.972443e-07 ; 2.986435e-01 9.797325e-02 1.120493e-03 1.262407e-03 0.000485 0.002166 True native_MD 7 60 117 N_AB42_7 CD2_AB42_13 1 7.098925e-04 1.114627e-06 ; 3.409229e-01 1.130305e-01 1.758342e-03 1.707737e-03 0.000485 0.003309 True native_MD 7 60 118 @@ -16452,7 +16452,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_7 O_AB42_13 1 6.049898e-04 1.194664e-06 ; 3.542008e-01 7.659326e-02 5.909362e-04 3.750590e-04 0.000485 0.002166 True native_MD 7 60 122 N_AB42_7 N_AB42_14 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 60 123 N_AB42_7 CA_AB42_14 1 2.365339e-03 1.721117e-05 ; 4.402029e-01 8.126738e-02 6.796550e-04 1.973946e-04 0.000485 0.001339 True native_MD 7 60 125 - N_AB42_7 CB_AB42_14 1 0.000000e+00 3.672280e-06 ; 3.139831e-01 -3.672280e-06 1.197902e-03 1.637266e-04 0.000485 0.000060 True native_MD 7 60 126 + N_AB42_7 CB_AB42_14 1 0.000000e+00 3.672232e-06 ; 3.139828e-01 -3.672232e-06 1.197902e-03 1.637266e-04 0.000485 0.000060 True native_MD 7 60 126 N_AB42_7 CG_AB42_14 1 1.116872e-03 3.096009e-06 ; 3.748002e-01 1.007267e-01 1.216731e-03 8.107450e-06 0.000485 0.002166 True native_MD 7 60 127 N_AB42_7 ND1_AB42_14 1 2.845644e-04 1.917383e-07 ; 2.960884e-01 1.055825e-01 1.407034e-03 7.356284e-04 0.000485 0.002166 True native_MD 7 60 128 N_AB42_7 CD2_AB42_14 1 1.199641e-03 2.680730e-06 ; 3.615766e-01 1.342114e-01 3.314245e-03 6.389161e-04 0.000485 0.003309 True native_MD 7 60 129 @@ -16474,24 +16474,24 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_7 CG_AB42_16 1 1.323753e-03 3.628549e-06 ; 3.741000e-01 1.207317e-01 3.707064e-03 9.998180e-05 0.000485 0.000060 True native_MD 7 60 148 N_AB42_7 CD_AB42_16 1 1.295490e-03 4.714296e-06 ; 3.921905e-01 8.900030e-02 6.997331e-03 4.877814e-04 0.000485 0.000060 True native_MD 7 60 149 N_AB42_7 CE_AB42_16 1 1.111560e-03 3.973993e-06 ; 3.910350e-01 7.772825e-02 8.467146e-03 8.270446e-04 0.000485 0.000060 True native_MD 7 60 150 - N_AB42_7 NZ_AB42_16 1 0.000000e+00 8.718994e-07 ; 2.785269e-01 -8.718994e-07 4.444214e-03 5.660166e-04 0.000485 0.000060 True native_MD 7 60 151 + N_AB42_7 NZ_AB42_16 1 0.000000e+00 8.718903e-07 ; 2.785267e-01 -8.718903e-07 4.444214e-03 5.660166e-04 0.000485 0.000060 True native_MD 7 60 151 N_AB42_7 O_AB42_16 1 1.316623e-03 6.003698e-06 ; 4.072173e-01 7.218448e-02 5.178943e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 60 153 N_AB42_7 N_AB42_17 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 3.344273e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 60 154 N_AB42_7 CA_AB42_17 1 3.549910e-03 2.608697e-05 ; 4.409280e-01 1.207678e-01 2.216469e-03 0.000000e+00 0.000485 0.001339 True native_MD 7 60 156 N_AB42_7 CB_AB42_17 1 2.131366e-03 8.213651e-06 ; 3.959555e-01 1.382675e-01 3.741963e-03 3.118386e-05 0.000485 0.000060 True native_MD 7 60 157 N_AB42_7 CG_AB42_17 1 1.905868e-03 8.189727e-06 ; 4.032083e-01 1.108807e-01 4.060315e-03 1.470551e-04 0.000485 0.000060 True native_MD 7 60 158 N_AB42_7 CD1_AB42_17 1 5.935458e-04 9.255360e-07 ; 3.405309e-01 9.516017e-02 4.562864e-03 2.645286e-04 0.000485 0.000060 True native_MD 7 60 159 - N_AB42_7 CD2_AB42_17 1 0.000000e+00 2.737402e-06 ; 3.063890e-01 -2.737402e-06 2.344550e-03 3.304281e-04 0.000485 0.000060 True native_MD 7 60 160 + N_AB42_7 CD2_AB42_17 1 0.000000e+00 2.737376e-06 ; 3.063888e-01 -2.737376e-06 2.344550e-03 3.304281e-04 0.000485 0.000060 True native_MD 7 60 160 N_AB42_7 O_AB42_17 1 3.595554e-04 3.126133e-07 ; 3.089396e-01 1.033866e-01 1.317542e-03 2.674493e-06 0.000485 0.002166 True native_MD 7 60 162 N_AB42_7 N_AB42_18 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 8.385169e-05 0.000000e+00 0.000485 0.000060 True native_MD 7 60 163 N_AB42_7 CA_AB42_18 1 2.597075e-03 1.958474e-05 ; 4.428319e-01 8.609760e-02 7.853538e-04 4.994395e-05 0.000485 0.001339 True native_MD 7 60 165 N_AB42_7 CB_AB42_18 1 1.853996e-03 1.075333e-05 ; 4.238762e-01 7.991241e-02 2.591245e-03 2.370902e-04 0.000485 0.000060 True native_MD 7 60 166 - N_AB42_7 CG1_AB42_18 1 0.000000e+00 2.740584e-06 ; 3.064187e-01 -2.740584e-06 1.292320e-03 4.385402e-04 0.000485 0.000060 True native_MD 7 60 167 + N_AB42_7 CG1_AB42_18 1 0.000000e+00 2.740558e-06 ; 3.064185e-01 -2.740558e-06 1.292320e-03 4.385402e-04 0.000485 0.000060 True native_MD 7 60 167 N_AB42_7 CG2_AB42_18 1 6.024102e-04 1.071115e-06 ; 3.480625e-01 8.470101e-02 2.522895e-03 2.000177e-04 0.000485 0.000060 True native_MD 7 60 168 N_AB42_7 O_AB42_18 1 1.298982e-04 3.876130e-08 ; 2.585032e-01 1.088298e-01 1.550630e-03 5.425456e-05 0.000485 0.002166 True native_MD 7 60 170 N_AB42_7 N_AB42_19 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 4.726167e-05 0.000000e+00 0.000485 0.000060 True native_MD 7 60 171 N_AB42_7 CA_AB42_19 1 3.110536e-03 2.308998e-05 ; 4.416702e-01 1.047579e-01 1.372736e-03 0.000000e+00 0.000485 0.001339 True native_MD 7 60 173 - N_AB42_7 CB_AB42_19 1 0.000000e+00 3.673893e-06 ; 3.139946e-01 -3.673893e-06 8.470033e-04 2.515742e-04 0.000485 0.000060 True native_MD 7 60 174 + N_AB42_7 CB_AB42_19 1 0.000000e+00 3.673844e-06 ; 3.139943e-01 -3.673844e-06 8.470033e-04 2.515742e-04 0.000485 0.000060 True native_MD 7 60 174 N_AB42_7 CG_AB42_19 1 1.010774e-03 3.264773e-06 ; 3.844736e-01 7.823390e-02 6.206738e-04 1.188511e-04 0.000485 0.003309 True native_MD 7 60 175 N_AB42_7 CD1_AB42_19 1 7.886848e-04 1.390603e-06 ; 3.475761e-01 1.118263e-01 1.696104e-03 2.526098e-04 0.000485 0.003309 True native_MD 7 60 176 N_AB42_7 CD2_AB42_19 1 7.886848e-04 1.390603e-06 ; 3.475761e-01 1.118263e-01 1.696104e-03 2.526098e-04 0.000485 0.003309 True native_MD 7 60 177 @@ -16500,7 +16500,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_7 CZ_AB42_19 1 7.688357e-04 1.265870e-06 ; 3.436312e-01 1.167395e-01 1.964753e-03 7.441642e-04 0.000485 0.003309 True native_MD 7 60 180 N_AB42_7 N_AB42_20 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.657901e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 60 183 N_AB42_7 CA_AB42_20 1 2.062350e-03 1.352972e-05 ; 4.326676e-01 7.859156e-02 6.273528e-04 1.629240e-05 0.000485 0.001339 True native_MD 7 60 185 - N_AB42_7 CB_AB42_20 1 0.000000e+00 3.673041e-06 ; 3.139886e-01 -3.673041e-06 9.671102e-04 1.398757e-04 0.000485 0.000060 True native_MD 7 60 186 + N_AB42_7 CB_AB42_20 1 0.000000e+00 3.672992e-06 ; 3.139882e-01 -3.672992e-06 9.671102e-04 1.398757e-04 0.000485 0.000060 True native_MD 7 60 186 N_AB42_7 CD1_AB42_20 1 7.028156e-04 1.241411e-06 ; 3.476795e-01 9.947346e-02 1.171944e-03 3.460300e-04 0.000485 0.003309 True native_MD 7 60 188 N_AB42_7 CD2_AB42_20 1 7.028156e-04 1.241411e-06 ; 3.476795e-01 9.947346e-02 1.171944e-03 3.460300e-04 0.000485 0.003309 True native_MD 7 60 189 N_AB42_7 CE1_AB42_20 1 1.051300e-03 2.171732e-06 ; 3.568726e-01 1.272293e-01 2.689304e-03 5.649119e-04 0.000485 0.003309 True native_MD 7 60 190 @@ -16508,14 +16508,14 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_7 CZ_AB42_20 1 8.697146e-04 1.367326e-06 ; 3.409959e-01 1.382998e-01 3.745586e-03 9.767227e-04 0.000485 0.003309 True native_MD 7 60 192 N_AB42_7 N_AB42_21 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 60 195 N_AB42_7 CA_AB42_21 1 2.372669e-03 1.739827e-05 ; 4.407695e-01 8.089247e-02 6.720723e-04 9.665961e-05 0.000485 0.001339 True native_MD 7 60 197 - N_AB42_7 CB_AB42_21 1 0.000000e+00 2.741083e-06 ; 3.064233e-01 -2.741083e-06 1.020110e-03 3.482944e-04 0.000485 0.000060 True native_MD 7 60 198 + N_AB42_7 CB_AB42_21 1 0.000000e+00 2.741057e-06 ; 3.064231e-01 -2.741057e-06 1.020110e-03 3.482944e-04 0.000485 0.000060 True native_MD 7 60 198 N_AB42_7 N_AB42_22 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.855150e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 60 201 N_AB42_7 CA_AB42_22 1 2.250400e-03 1.652433e-05 ; 4.408701e-01 7.661886e-02 5.913891e-04 0.000000e+00 0.000485 0.001339 True native_MD 7 60 203 - N_AB42_7 CB_AB42_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 60 204 - N_AB42_7 CG_AB42_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 60 205 + N_AB42_7 CB_AB42_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 60 204 + N_AB42_7 CG_AB42_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 60 205 N_AB42_7 O_AB42_22 1 1.159542e-04 4.083781e-08 ; 2.657435e-01 8.230961e-02 7.011873e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 60 210 N_AB42_7 N_AB42_23 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 60 211 - N_AB42_7 CB_AB42_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 60 214 + N_AB42_7 CB_AB42_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 60 214 N_AB42_7 N_AB42_24 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 60 220 N_AB42_7 CA_AB42_24 1 3.635067e-03 2.868024e-05 ; 4.461817e-01 1.151813e-01 1.875239e-03 5.003258e-05 0.000485 0.001339 True native_MD 7 60 222 N_AB42_7 CB_AB42_24 1 2.594852e-03 1.113678e-05 ; 4.031263e-01 1.511491e-01 6.021218e-03 6.535065e-05 0.000485 0.000060 True native_MD 7 60 223 @@ -16526,7 +16526,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_7 O_AB42_25 1 1.478177e-04 5.112029e-08 ; 2.649381e-01 1.068562e-01 1.461698e-03 9.995628e-05 0.000485 0.002166 True native_MD 7 60 232 N_AB42_7 N_AB42_26 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 4.080387e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 60 233 N_AB42_7 CA_AB42_26 1 9.002267e-04 2.051807e-06 ; 3.627695e-01 9.874321e-02 1.146611e-03 7.010870e-05 0.000485 0.001339 True native_MD 7 60 235 - N_AB42_7 CB_AB42_26 1 0.000000e+00 3.673583e-06 ; 3.139924e-01 -3.673583e-06 1.171372e-03 4.916213e-04 0.000485 0.000060 True native_MD 7 60 236 + N_AB42_7 CB_AB42_26 1 0.000000e+00 3.673534e-06 ; 3.139921e-01 -3.673534e-06 1.171372e-03 4.916213e-04 0.000485 0.000060 True native_MD 7 60 236 N_AB42_7 OG_AB42_26 1 1.656322e-04 7.279679e-08 ; 2.757367e-01 9.421435e-02 1.001281e-03 1.194148e-04 0.000485 0.002166 True native_MD 7 60 237 N_AB42_7 N_AB42_27 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 60 240 N_AB42_7 CB_AB42_27 1 1.123283e-03 4.465018e-06 ; 3.980054e-01 7.064722e-02 4.946089e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 60 243 @@ -16534,7 +16534,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_7 ND2_AB42_27 1 4.377735e-04 4.607437e-07 ; 3.189346e-01 1.039871e-01 1.341434e-03 3.351932e-05 0.000485 0.002166 True native_MD 7 60 246 N_AB42_7 N_AB42_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 60 249 N_AB42_7 CA_AB42_28 1 1.834546e-03 1.156448e-05 ; 4.297998e-01 7.275641e-02 5.268346e-04 1.737505e-06 0.000485 0.001339 True native_MD 7 60 251 - N_AB42_7 CB_AB42_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 60 252 + N_AB42_7 CB_AB42_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 60 252 N_AB42_7 CG_AB42_28 1 1.591748e-03 8.266898e-06 ; 4.161450e-01 7.662069e-02 5.914215e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 60 253 N_AB42_7 CD_AB42_28 1 1.070119e-03 3.493090e-06 ; 3.851498e-01 8.195851e-02 1.986797e-03 1.709882e-04 0.000485 0.000060 True native_MD 7 60 254 N_AB42_7 CE_AB42_28 1 1.182976e-03 3.487437e-06 ; 3.786649e-01 1.003195e-01 4.028206e-03 2.001207e-04 0.000485 0.000060 True native_MD 7 60 255 @@ -16543,14 +16543,14 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_7 CA_AB42_29 1 1.015084e-03 2.670779e-06 ; 3.715547e-01 9.645074e-02 1.070586e-03 5.278514e-06 0.000485 0.001584 True native_MD 7 60 261 N_AB42_7 O_AB42_29 1 9.889545e-05 3.490423e-08 ; 2.658379e-01 7.005103e-02 4.858625e-04 8.874294e-05 0.000485 0.002166 True native_MD 7 60 263 N_AB42_7 N_AB42_30 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.375517e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 60 264 - N_AB42_7 CB_AB42_30 1 0.000000e+00 2.739962e-06 ; 3.064129e-01 -2.739962e-06 1.279098e-03 1.984909e-04 0.000485 0.000060 True native_MD 7 60 267 + N_AB42_7 CB_AB42_30 1 0.000000e+00 2.739936e-06 ; 3.064127e-01 -2.739936e-06 1.279098e-03 1.984909e-04 0.000485 0.000060 True native_MD 7 60 267 N_AB42_7 O_AB42_30 1 1.236309e-03 5.208826e-06 ; 4.018853e-01 7.335917e-02 5.364239e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 60 269 N_AB42_7 N_AB42_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.513218e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 60 270 N_AB42_7 CA_AB42_31 1 2.693433e-03 1.884528e-05 ; 4.373368e-01 9.623872e-02 1.063815e-03 0.000000e+00 0.000485 0.001339 True native_MD 7 60 272 N_AB42_7 CB_AB42_31 1 1.526714e-03 6.360915e-06 ; 4.011378e-01 9.160856e-02 9.261671e-04 4.682626e-05 0.000485 0.000060 True native_MD 7 60 273 N_AB42_7 CG1_AB42_31 1 1.497594e-03 6.363151e-06 ; 4.024510e-01 8.811621e-02 8.342583e-04 4.971347e-05 0.000485 0.000060 True native_MD 7 60 274 N_AB42_7 CG2_AB42_31 1 1.095620e-03 3.146471e-06 ; 3.770168e-01 9.537530e-02 1.736451e-03 1.000234e-04 0.000485 0.000060 True native_MD 7 60 275 - N_AB42_7 CD_AB42_31 1 0.000000e+00 2.739069e-06 ; 3.064046e-01 -2.739069e-06 1.701472e-03 2.951518e-04 0.000485 0.000060 True native_MD 7 60 276 + N_AB42_7 CD_AB42_31 1 0.000000e+00 2.739043e-06 ; 3.064043e-01 -2.739043e-06 1.701472e-03 2.951518e-04 0.000485 0.000060 True native_MD 7 60 276 N_AB42_7 O_AB42_31 1 7.166278e-05 1.631167e-08 ; 2.470970e-01 7.870981e-02 6.295768e-04 5.000719e-05 0.000485 0.002166 True native_MD 7 60 278 N_AB42_7 N_AB42_32 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.402091e-05 0.000000e+00 0.000485 0.000060 True native_MD 7 60 279 N_AB42_7 CA_AB42_32 1 1.740688e-03 7.302331e-06 ; 4.015967e-01 1.037339e-01 1.331306e-03 8.702978e-05 0.000485 0.001339 True native_MD 7 60 281 @@ -16617,9 +16617,9 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_7 O1_AB42_42 1 9.324692e-05 2.561556e-08 ; 2.549636e-01 8.486040e-02 7.568082e-04 5.467512e-05 0.000485 0.002166 True native_MD 7 60 359 N_AB42_7 O2_AB42_42 1 9.324692e-05 2.561556e-08 ; 2.549636e-01 8.486040e-02 7.568082e-04 5.467512e-05 0.000485 0.002166 True native_MD 7 60 360 H_AB42_7 H_AB42_7 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 61 - H_AB42_7 OD1_AB42_7 1 0.000000e+00 1.083084e-08 ; 1.932192e-01 -1.083084e-08 3.120882e-01 1.744025e-01 0.000485 0.000060 True native_MD 5 61 65 - H_AB42_7 OD2_AB42_7 1 0.000000e+00 1.083084e-08 ; 1.932192e-01 -1.083084e-08 3.120882e-01 1.744025e-01 0.000485 0.000060 True native_MD 5 61 66 - H_AB42_7 O_AB42_7 1 0.000000e+00 1.620361e-08 ; 1.998156e-01 -1.620361e-08 3.026352e-01 3.469381e-01 0.000485 0.000060 True native_MD 4 61 68 + H_AB42_7 OD1_AB42_7 1 0.000000e+00 1.083101e-08 ; 1.932194e-01 -1.083101e-08 3.120882e-01 1.744025e-01 0.000485 0.000060 True native_MD 5 61 65 + H_AB42_7 OD2_AB42_7 1 0.000000e+00 1.083101e-08 ; 1.932194e-01 -1.083101e-08 3.120882e-01 1.744025e-01 0.000485 0.000060 True native_MD 5 61 66 + H_AB42_7 O_AB42_7 1 0.000000e+00 1.620387e-08 ; 1.998158e-01 -1.620387e-08 3.026352e-01 3.469381e-01 0.000485 0.000060 True native_MD 4 61 68 H_AB42_7 H_AB42_8 1 0.000000e+00 1.278104e-08 ; 1.959035e-01 -1.278104e-08 3.699389e-01 4.350254e-01 0.000485 0.000060 True native_MD 5 61 70 H_AB42_7 OG_AB42_8 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 73 H_AB42_7 O_AB42_8 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 75 @@ -16702,12 +16702,12 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 H_AB42_7 H_AB42_42 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 355 H_AB42_7 O1_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 359 H_AB42_7 O2_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 360 - CA_AB42_7 CB_AB42_8 1 0.000000e+00 3.181403e-05 ; 3.758777e-01 -3.181403e-05 9.999880e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 62 72 - CA_AB42_7 OG_AB42_8 1 0.000000e+00 6.998297e-06 ; 3.313175e-01 -6.998297e-06 3.953569e-01 6.154783e-01 0.000485 0.000060 True native_MD 5 62 73 - CA_AB42_7 C_AB42_8 1 0.000000e+00 1.305182e-05 ; 3.489803e-01 -1.305182e-05 1.000000e+00 9.999968e-01 0.000485 0.000060 True native_MD 4 62 74 - CA_AB42_7 O_AB42_8 1 0.000000e+00 2.723723e-06 ; 3.062612e-01 -2.723723e-06 6.408424e-01 2.966090e-01 0.000485 0.000060 True native_MD 5 62 75 - CA_AB42_7 N_AB42_9 1 0.000000e+00 9.458267e-06 ; 3.397394e-01 -9.458267e-06 4.906644e-01 7.392814e-01 0.000485 0.000060 True native_MD 5 62 76 - CA_AB42_7 CA_AB42_9 1 0.000000e+00 4.035475e-05 ; 3.834007e-01 -4.035475e-05 3.217347e-01 5.902073e-01 0.000485 0.000060 True native_MD 6 62 78 + CA_AB42_7 CB_AB42_8 1 0.000000e+00 3.181390e-05 ; 3.758776e-01 -3.181390e-05 9.999880e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 62 72 + CA_AB42_7 OG_AB42_8 1 0.000000e+00 6.998273e-06 ; 3.313174e-01 -6.998273e-06 3.953569e-01 6.154783e-01 0.000485 0.000060 True native_MD 5 62 73 + CA_AB42_7 C_AB42_8 1 0.000000e+00 1.305176e-05 ; 3.489802e-01 -1.305176e-05 1.000000e+00 9.999968e-01 0.000485 0.000060 True native_MD 4 62 74 + CA_AB42_7 O_AB42_8 1 0.000000e+00 2.723745e-06 ; 3.062614e-01 -2.723745e-06 6.408424e-01 2.966090e-01 0.000485 0.000060 True native_MD 5 62 75 + CA_AB42_7 N_AB42_9 1 0.000000e+00 9.458252e-06 ; 3.397394e-01 -9.458252e-06 4.906644e-01 7.392814e-01 0.000485 0.000060 True native_MD 5 62 76 + CA_AB42_7 CA_AB42_9 1 0.000000e+00 4.035458e-05 ; 3.834006e-01 -4.035458e-05 3.217347e-01 5.902073e-01 0.000485 0.000060 True native_MD 6 62 78 CA_AB42_7 C_AB42_9 1 5.271351e-03 6.986546e-05 ; 4.864708e-01 9.943088e-02 5.129819e-02 5.867722e-02 0.000485 0.001339 True native_MD 7 62 79 CA_AB42_7 O_AB42_9 1 1.687501e-03 8.971323e-06 ; 4.177682e-01 7.935447e-02 1.477586e-02 3.082171e-02 0.000485 0.001339 True native_MD 7 62 80 CA_AB42_7 N_AB42_10 1 2.694180e-03 1.649074e-05 ; 4.276964e-01 1.100406e-01 1.526901e-01 1.271432e-01 0.000485 0.001339 True native_MD 7 62 81 @@ -16944,22 +16944,22 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CA_AB42_7 C_AB42_42 1 1.637744e-03 6.384492e-06 ; 3.967163e-01 1.050282e-01 1.383883e-03 1.474351e-04 0.000485 0.001339 True native_MD 7 62 358 CA_AB42_7 O1_AB42_42 1 4.662331e-04 5.660699e-07 ; 3.266213e-01 9.600110e-02 1.056277e-03 6.551389e-05 0.000485 0.001339 True native_MD 7 62 359 CA_AB42_7 O2_AB42_42 1 4.662331e-04 5.660699e-07 ; 3.266213e-01 9.600110e-02 1.056277e-03 6.551389e-05 0.000485 0.001339 True native_MD 7 62 360 - CB_AB42_7 CG_AB42_7 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 64 - CB_AB42_7 OD1_AB42_7 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 65 - CB_AB42_7 OD2_AB42_7 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 66 - CB_AB42_7 C_AB42_7 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 67 + CB_AB42_7 CG_AB42_7 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 64 + CB_AB42_7 OD1_AB42_7 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 65 + CB_AB42_7 OD2_AB42_7 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 66 + CB_AB42_7 C_AB42_7 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 67 CB_AB42_7 O_AB42_7 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 68 - CB_AB42_7 N_AB42_8 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 69 - CB_AB42_7 CA_AB42_8 1 0.000000e+00 3.181357e-05 ; 3.758772e-01 -3.181357e-05 1.000000e+00 9.999973e-01 0.000485 0.000060 True native_MD 4 63 71 - CB_AB42_7 CB_AB42_8 1 0.000000e+00 1.437380e-05 ; 3.517974e-01 -1.437380e-05 7.039922e-01 6.350042e-01 0.000485 0.000060 True native_MD 5 63 72 - CB_AB42_7 OG_AB42_8 1 0.000000e+00 2.871596e-06 ; 3.076134e-01 -2.871596e-06 7.343458e-02 1.050820e-01 0.000485 0.000060 True native_MD 6 63 73 - CB_AB42_7 C_AB42_8 1 0.000000e+00 5.998211e-06 ; 3.270871e-01 -5.998211e-06 4.651207e-01 4.121128e-01 0.000485 0.000060 True native_MD 5 63 74 - CB_AB42_7 O_AB42_8 1 0.000000e+00 1.759982e-06 ; 2.953163e-01 -1.759982e-06 1.974719e-01 7.062778e-02 0.000485 0.000060 True native_MD 6 63 75 - CB_AB42_7 N_AB42_9 1 0.000000e+00 4.407204e-06 ; 3.187929e-01 -4.407204e-06 1.001731e-01 2.990594e-01 0.000485 0.000060 True native_MD 6 63 76 - CB_AB42_7 CA_AB42_9 1 0.000000e+00 1.783947e-05 ; 3.581873e-01 -1.783947e-05 8.244491e-02 2.379333e-01 0.000485 0.001190 True native_MD 7 63 78 - CB_AB42_7 C_AB42_9 1 0.000000e+00 6.503468e-06 ; 3.292990e-01 -6.503468e-06 1.648949e-02 4.325108e-02 0.000485 0.000060 True native_MD 7 63 79 - CB_AB42_7 O_AB42_9 1 0.000000e+00 2.046059e-06 ; 2.990461e-01 -2.046059e-06 7.487270e-03 2.257056e-02 0.000485 0.001191 True native_MD 7 63 80 - CB_AB42_7 N_AB42_10 1 0.000000e+00 3.738655e-06 ; 3.144522e-01 -3.738655e-06 3.846645e-02 5.548814e-02 0.000485 0.000060 True native_MD 7 63 81 + CB_AB42_7 N_AB42_8 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 69 + CB_AB42_7 CA_AB42_8 1 0.000000e+00 3.181343e-05 ; 3.758771e-01 -3.181343e-05 1.000000e+00 9.999973e-01 0.000485 0.000060 True native_MD 4 63 71 + CB_AB42_7 CB_AB42_8 1 0.000000e+00 1.437357e-05 ; 3.517969e-01 -1.437357e-05 7.039922e-01 6.350042e-01 0.000485 0.000060 True native_MD 5 63 72 + CB_AB42_7 OG_AB42_8 1 0.000000e+00 2.871554e-06 ; 3.076130e-01 -2.871554e-06 7.343458e-02 1.050820e-01 0.000485 0.000060 True native_MD 6 63 73 + CB_AB42_7 C_AB42_8 1 0.000000e+00 5.998110e-06 ; 3.270867e-01 -5.998110e-06 4.651207e-01 4.121128e-01 0.000485 0.000060 True native_MD 5 63 74 + CB_AB42_7 O_AB42_8 1 0.000000e+00 1.759976e-06 ; 2.953162e-01 -1.759976e-06 1.974719e-01 7.062778e-02 0.000485 0.000060 True native_MD 6 63 75 + CB_AB42_7 N_AB42_9 1 0.000000e+00 4.407146e-06 ; 3.187925e-01 -4.407146e-06 1.001731e-01 2.990594e-01 0.000485 0.000060 True native_MD 6 63 76 + CB_AB42_7 CA_AB42_9 1 0.000000e+00 1.783919e-05 ; 3.581868e-01 -1.783919e-05 8.244491e-02 2.379333e-01 0.000485 0.001190 True native_MD 7 63 78 + CB_AB42_7 C_AB42_9 1 0.000000e+00 6.503359e-06 ; 3.292985e-01 -6.503359e-06 1.648949e-02 4.325108e-02 0.000485 0.000060 True native_MD 7 63 79 + CB_AB42_7 O_AB42_9 1 0.000000e+00 2.046051e-06 ; 2.990460e-01 -2.046051e-06 7.487270e-03 2.257056e-02 0.000485 0.001191 True native_MD 7 63 80 + CB_AB42_7 N_AB42_10 1 0.000000e+00 3.738606e-06 ; 3.144518e-01 -3.738606e-06 3.846645e-02 5.548814e-02 0.000485 0.000060 True native_MD 7 63 81 CB_AB42_7 CA_AB42_10 1 3.472973e-03 3.214680e-05 ; 4.582186e-01 9.380048e-02 9.446605e-02 9.751989e-02 0.000485 0.001021 True native_MD 7 63 83 CB_AB42_7 CB_AB42_10 1 1.064071e-03 2.640646e-06 ; 3.679510e-01 1.071941e-01 1.253372e-01 1.010327e-01 0.000485 0.001190 True native_MD 7 63 84 CB_AB42_7 CG_AB42_10 1 1.825113e-03 6.237640e-06 ; 3.881102e-01 1.335055e-01 8.678925e-02 6.237550e-02 0.000485 0.002332 True native_MD 7 63 85 @@ -16967,52 +16967,52 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_7 CD2_AB42_10 1 7.698016e-04 1.195881e-06 ; 3.403180e-01 1.238824e-01 7.180173e-02 6.882589e-02 0.000485 0.002332 True native_MD 7 63 87 CB_AB42_7 CE1_AB42_10 1 8.041262e-04 1.339622e-06 ; 3.443047e-01 1.206719e-01 5.888215e-02 6.213351e-02 0.000485 0.002332 True native_MD 7 63 88 CB_AB42_7 CE2_AB42_10 1 8.041262e-04 1.339622e-06 ; 3.443047e-01 1.206719e-01 5.888215e-02 6.213351e-02 0.000485 0.002332 True native_MD 7 63 89 - CB_AB42_7 OH_AB42_10 1 0.000000e+00 2.772616e-06 ; 3.067156e-01 -2.772616e-06 3.207099e-02 2.815880e-02 0.000485 0.000060 True native_MD 7 63 91 - CB_AB42_7 C_AB42_10 1 0.000000e+00 6.391596e-06 ; 3.288232e-01 -6.391596e-06 1.228319e-02 2.138248e-02 0.000485 0.000060 True native_MD 7 63 92 + CB_AB42_7 OH_AB42_10 1 0.000000e+00 2.772575e-06 ; 3.067152e-01 -2.772575e-06 3.207099e-02 2.815880e-02 0.000485 0.000060 True native_MD 7 63 91 + CB_AB42_7 C_AB42_10 1 0.000000e+00 6.391488e-06 ; 3.288227e-01 -6.391488e-06 1.228319e-02 2.138248e-02 0.000485 0.000060 True native_MD 7 63 92 CB_AB42_7 O_AB42_10 1 3.360537e-04 4.031047e-07 ; 3.259629e-01 7.003893e-02 8.833954e-03 2.165454e-02 0.000485 0.001191 True native_MD 7 63 93 - CB_AB42_7 N_AB42_11 1 0.000000e+00 3.673683e-06 ; 3.139931e-01 -3.673683e-06 9.507361e-03 8.854835e-03 0.000485 0.000060 True native_MD 7 63 94 + CB_AB42_7 N_AB42_11 1 0.000000e+00 3.673635e-06 ; 3.139928e-01 -3.673635e-06 9.507361e-03 8.854835e-03 0.000485 0.000060 True native_MD 7 63 94 CB_AB42_7 CA_AB42_11 1 2.621522e-03 1.837602e-05 ; 4.374714e-01 9.349660e-02 2.376041e-02 2.475260e-02 0.000485 0.001021 True native_MD 7 63 96 CB_AB42_7 CB_AB42_11 1 1.065797e-03 2.612627e-06 ; 3.671982e-01 1.086955e-01 2.562006e-02 1.974463e-02 0.000485 0.001190 True native_MD 7 63 97 CB_AB42_7 CG_AB42_11 1 1.145368e-03 3.310617e-06 ; 3.774221e-01 9.906514e-02 2.486343e-02 2.556183e-02 0.000485 0.001190 True native_MD 7 63 98 - CB_AB42_7 CD_AB42_11 1 0.000000e+00 6.337353e-06 ; 3.285897e-01 -6.337353e-06 1.666287e-02 1.719834e-02 0.000485 0.000060 True native_MD 7 63 99 - CB_AB42_7 OE1_AB42_11 1 0.000000e+00 1.630140e-06 ; 2.934362e-01 -1.630140e-06 1.034214e-02 9.415342e-03 0.000485 0.000060 True native_MD 7 63 100 - CB_AB42_7 OE2_AB42_11 1 0.000000e+00 1.630140e-06 ; 2.934362e-01 -1.630140e-06 1.034214e-02 9.415342e-03 0.000485 0.000060 True native_MD 7 63 101 - CB_AB42_7 C_AB42_11 1 0.000000e+00 6.308831e-06 ; 3.284662e-01 -6.308831e-06 7.179780e-03 3.212328e-03 0.000485 0.000060 True native_MD 7 63 102 + CB_AB42_7 CD_AB42_11 1 0.000000e+00 6.337246e-06 ; 3.285893e-01 -6.337246e-06 1.666287e-02 1.719834e-02 0.000485 0.000060 True native_MD 7 63 99 + CB_AB42_7 OE1_AB42_11 1 0.000000e+00 1.630134e-06 ; 2.934361e-01 -1.630134e-06 1.034214e-02 9.415342e-03 0.000485 0.000060 True native_MD 7 63 100 + CB_AB42_7 OE2_AB42_11 1 0.000000e+00 1.630134e-06 ; 2.934361e-01 -1.630134e-06 1.034214e-02 9.415342e-03 0.000485 0.000060 True native_MD 7 63 101 + CB_AB42_7 C_AB42_11 1 0.000000e+00 6.308725e-06 ; 3.284658e-01 -6.308725e-06 7.179780e-03 3.212328e-03 0.000485 0.000060 True native_MD 7 63 102 CB_AB42_7 O_AB42_11 1 5.867529e-04 7.976085e-07 ; 3.328300e-01 1.079098e-01 4.181311e-03 3.299982e-03 0.000485 0.001191 True native_MD 7 63 103 - CB_AB42_7 N_AB42_12 1 0.000000e+00 3.656898e-06 ; 3.138733e-01 -3.656898e-06 6.697036e-03 1.478584e-03 0.000485 0.000060 True native_MD 7 63 104 + CB_AB42_7 N_AB42_12 1 0.000000e+00 3.656850e-06 ; 3.138730e-01 -3.656850e-06 6.697036e-03 1.478584e-03 0.000485 0.000060 True native_MD 7 63 104 CB_AB42_7 CA_AB42_12 1 2.319719e-03 9.872144e-06 ; 4.025588e-01 1.362697e-01 2.924863e-02 8.471585e-03 0.000485 0.001021 True native_MD 7 63 106 CB_AB42_7 CB_AB42_12 1 2.133286e-03 8.664188e-06 ; 3.994353e-01 1.313137e-01 5.516553e-02 1.853267e-02 0.000485 0.001021 True native_MD 7 63 107 CB_AB42_7 CG1_AB42_12 1 1.256868e-03 2.494830e-06 ; 3.545073e-01 1.582991e-01 4.516909e-02 1.545688e-02 0.000485 0.002332 True native_MD 7 63 108 CB_AB42_7 CG2_AB42_12 1 1.211022e-03 2.382880e-06 ; 3.539906e-01 1.538656e-01 4.690168e-02 1.832694e-02 0.000485 0.002332 True native_MD 7 63 109 - CB_AB42_7 C_AB42_12 1 0.000000e+00 6.317275e-06 ; 3.285029e-01 -6.317275e-06 3.988582e-03 1.354206e-03 0.000485 0.000060 True native_MD 7 63 110 + CB_AB42_7 C_AB42_12 1 0.000000e+00 6.317169e-06 ; 3.285024e-01 -6.317169e-06 3.988582e-03 1.354206e-03 0.000485 0.000060 True native_MD 7 63 110 CB_AB42_7 O_AB42_12 1 7.993690e-04 1.936333e-06 ; 3.664703e-01 8.250013e-02 1.531015e-03 2.584754e-03 0.000485 0.001191 True native_MD 7 63 111 - CB_AB42_7 N_AB42_13 1 0.000000e+00 3.670681e-06 ; 3.139717e-01 -3.670681e-06 2.178603e-03 7.094514e-04 0.000485 0.000060 True native_MD 7 63 112 + CB_AB42_7 N_AB42_13 1 0.000000e+00 3.670633e-06 ; 3.139714e-01 -3.670633e-06 2.178603e-03 7.094514e-04 0.000485 0.000060 True native_MD 7 63 112 CB_AB42_7 CA_AB42_13 1 1.606554e-03 7.261377e-06 ; 4.066186e-01 8.886107e-02 6.207419e-03 7.428899e-03 0.000485 0.001021 True native_MD 7 63 114 CB_AB42_7 CB_AB42_13 1 1.086799e-03 3.284012e-06 ; 3.802267e-01 8.991538e-02 6.502137e-03 8.790295e-03 0.000485 0.001190 True native_MD 7 63 115 - CB_AB42_7 CG_AB42_13 1 0.000000e+00 6.323089e-06 ; 3.285280e-01 -6.323089e-06 8.604487e-03 6.888009e-03 0.000485 0.000060 True native_MD 7 63 116 - CB_AB42_7 ND1_AB42_13 1 0.000000e+00 4.829969e-06 ; 3.212356e-01 -4.829969e-06 8.658445e-03 1.021080e-02 0.000485 0.000060 True native_MD 7 63 117 + CB_AB42_7 CG_AB42_13 1 0.000000e+00 6.322983e-06 ; 3.285276e-01 -6.322983e-06 8.604487e-03 6.888009e-03 0.000485 0.000060 True native_MD 7 63 116 + CB_AB42_7 ND1_AB42_13 1 0.000000e+00 4.829885e-06 ; 3.212352e-01 -4.829885e-06 8.658445e-03 1.021080e-02 0.000485 0.000060 True native_MD 7 63 117 CB_AB42_7 CD2_AB42_13 1 8.093731e-04 1.315685e-06 ; 3.428998e-01 1.244760e-01 1.291694e-02 1.216360e-02 0.000485 0.002332 True native_MD 7 63 118 CB_AB42_7 CE1_AB42_13 1 6.446312e-04 9.029061e-07 ; 3.344942e-01 1.150589e-01 1.493874e-02 1.864692e-02 0.000485 0.002332 True native_MD 7 63 119 - CB_AB42_7 NE2_AB42_13 1 0.000000e+00 4.822966e-06 ; 3.211968e-01 -4.822966e-06 1.643903e-02 1.653930e-02 0.000485 0.000060 True native_MD 7 63 120 - CB_AB42_7 C_AB42_13 1 0.000000e+00 6.328130e-06 ; 3.285499e-01 -6.328130e-06 1.974484e-03 1.053936e-03 0.000485 0.000060 True native_MD 7 63 121 + CB_AB42_7 NE2_AB42_13 1 0.000000e+00 4.822883e-06 ; 3.211963e-01 -4.822883e-06 1.643903e-02 1.653930e-02 0.000485 0.000060 True native_MD 7 63 120 + CB_AB42_7 C_AB42_13 1 0.000000e+00 6.328024e-06 ; 3.285494e-01 -6.328024e-06 1.974484e-03 1.053936e-03 0.000485 0.000060 True native_MD 7 63 121 CB_AB42_7 O_AB42_13 1 4.058792e-04 3.532802e-07 ; 3.089966e-01 1.165774e-01 1.955243e-03 1.101693e-03 0.000485 0.001191 True native_MD 7 63 122 - CB_AB42_7 N_AB42_14 1 0.000000e+00 3.673556e-06 ; 3.139922e-01 -3.673556e-06 1.317064e-03 6.298876e-04 0.000485 0.000060 True native_MD 7 63 123 + CB_AB42_7 N_AB42_14 1 0.000000e+00 3.673507e-06 ; 3.139919e-01 -3.673507e-06 1.317064e-03 6.298876e-04 0.000485 0.000060 True native_MD 7 63 123 CB_AB42_7 CA_AB42_14 1 2.017966e-03 7.730665e-06 ; 3.955644e-01 1.316894e-01 1.030508e-02 3.423255e-03 0.000485 0.001021 True native_MD 7 63 125 CB_AB42_7 CB_AB42_14 1 1.489177e-03 4.244799e-06 ; 3.765464e-01 1.306098e-01 1.108353e-02 4.433368e-03 0.000485 0.001190 True native_MD 7 63 126 - CB_AB42_7 CG_AB42_14 1 0.000000e+00 6.279802e-06 ; 3.283400e-01 -6.279802e-06 1.212493e-02 3.574307e-03 0.000485 0.000060 True native_MD 7 63 127 - CB_AB42_7 ND1_AB42_14 1 0.000000e+00 4.794456e-06 ; 3.210381e-01 -4.794456e-06 1.130772e-02 5.496024e-03 0.000485 0.000060 True native_MD 7 63 128 + CB_AB42_7 CG_AB42_14 1 0.000000e+00 6.279696e-06 ; 3.283396e-01 -6.279696e-06 1.212493e-02 3.574307e-03 0.000485 0.000060 True native_MD 7 63 127 + CB_AB42_7 ND1_AB42_14 1 0.000000e+00 4.794373e-06 ; 3.210377e-01 -4.794373e-06 1.130772e-02 5.496024e-03 0.000485 0.000060 True native_MD 7 63 128 CB_AB42_7 CD2_AB42_14 1 8.454150e-04 1.173577e-06 ; 3.339953e-01 1.522538e-01 1.614581e-02 6.621293e-03 0.000485 0.002332 True native_MD 7 63 129 CB_AB42_7 CE1_AB42_14 1 8.365315e-04 1.278220e-06 ; 3.393807e-01 1.368671e-01 1.747290e-02 1.135595e-02 0.000485 0.002332 True native_MD 7 63 130 - CB_AB42_7 NE2_AB42_14 1 0.000000e+00 4.779894e-06 ; 3.209568e-01 -4.779894e-06 1.857660e-02 9.745294e-03 0.000485 0.000060 True native_MD 7 63 131 + CB_AB42_7 NE2_AB42_14 1 0.000000e+00 4.779811e-06 ; 3.209563e-01 -4.779811e-06 1.857660e-02 9.745294e-03 0.000485 0.000060 True native_MD 7 63 131 CB_AB42_7 C_AB42_14 1 8.329160e-04 2.059297e-06 ; 3.677220e-01 8.422159e-02 4.876681e-03 3.922152e-04 0.000485 0.000060 True native_MD 7 63 132 CB_AB42_7 O_AB42_14 1 4.283605e-04 3.559175e-07 ; 3.066126e-01 1.288871e-01 2.826092e-03 5.170394e-04 0.000485 0.001191 True native_MD 7 63 133 CB_AB42_7 N_AB42_15 1 1.096441e-03 2.869723e-06 ; 3.712295e-01 1.047299e-01 4.896539e-03 2.131819e-04 0.000485 0.000060 True native_MD 7 63 134 CB_AB42_7 CA_AB42_15 1 2.701681e-03 1.086054e-05 ; 3.987520e-01 1.680184e-01 9.863839e-03 1.104786e-03 0.000485 0.001021 True native_MD 7 63 136 CB_AB42_7 CB_AB42_15 1 1.685615e-03 4.318773e-06 ; 3.699136e-01 1.644737e-01 8.300934e-03 1.205215e-03 0.000485 0.001190 True native_MD 7 63 137 CB_AB42_7 CG_AB42_15 1 1.741039e-03 4.814465e-06 ; 3.746479e-01 1.574015e-01 1.104240e-02 1.981142e-03 0.000485 0.001190 True native_MD 7 63 138 - CB_AB42_7 CD_AB42_15 1 0.000000e+00 6.257816e-06 ; 3.282441e-01 -6.257816e-06 1.434194e-02 2.320291e-03 0.000485 0.000060 True native_MD 7 63 139 + CB_AB42_7 CD_AB42_15 1 0.000000e+00 6.257711e-06 ; 3.282436e-01 -6.257711e-06 1.434194e-02 2.320291e-03 0.000485 0.000060 True native_MD 7 63 139 CB_AB42_7 OE1_AB42_15 1 6.906203e-04 7.802837e-07 ; 3.227272e-01 1.528151e-01 9.053193e-03 1.863725e-03 0.000485 0.001191 True native_MD 7 63 140 - CB_AB42_7 NE2_AB42_15 1 0.000000e+00 6.253549e-06 ; 3.282254e-01 -6.253549e-06 1.612866e-02 3.892567e-03 0.000485 0.000060 True native_MD 7 63 141 + CB_AB42_7 NE2_AB42_15 1 0.000000e+00 6.253514e-06 ; 3.282253e-01 -6.253514e-06 1.612866e-02 3.892567e-03 0.000485 0.000060 True native_MD 7 63 141 CB_AB42_7 C_AB42_15 1 2.345657e-03 9.673503e-06 ; 4.004545e-01 1.421953e-01 4.208709e-03 5.003276e-05 0.000485 0.000060 True native_MD 7 63 142 CB_AB42_7 O_AB42_15 1 6.342583e-04 8.611197e-07 ; 3.327614e-01 1.167909e-01 1.967774e-03 1.615084e-04 0.000485 0.001191 True native_MD 7 63 143 CB_AB42_7 N_AB42_16 1 1.482998e-03 3.727144e-06 ; 3.687278e-01 1.475180e-01 4.935442e-03 6.409543e-07 0.000485 0.000060 True native_MD 7 63 144 @@ -17039,7 +17039,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_7 CG2_AB42_18 1 1.364142e-03 3.011915e-06 ; 3.608532e-01 1.544601e-01 6.075044e-03 1.553906e-03 0.000485 0.002332 True native_MD 7 63 168 CB_AB42_7 C_AB42_18 1 1.376076e-03 6.644580e-06 ; 4.111221e-01 7.124546e-02 2.047225e-03 2.427796e-04 0.000485 0.000060 True native_MD 7 63 169 CB_AB42_7 O_AB42_18 1 6.405479e-04 8.049697e-07 ; 3.285020e-01 1.274277e-01 2.705318e-03 3.969182e-04 0.000485 0.001191 True native_MD 7 63 170 - CB_AB42_7 N_AB42_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 171 + CB_AB42_7 N_AB42_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 171 CB_AB42_7 CA_AB42_19 1 4.482182e-03 3.851833e-05 ; 4.525810e-01 1.303922e-01 4.051224e-03 1.399051e-03 0.000485 0.001021 True native_MD 7 63 173 CB_AB42_7 CB_AB42_19 1 1.355829e-03 3.783347e-06 ; 3.752136e-01 1.214713e-01 3.457321e-03 1.817880e-03 0.000485 0.001190 True native_MD 7 63 174 CB_AB42_7 CG_AB42_19 1 1.435028e-03 3.766848e-06 ; 3.714094e-01 1.366730e-01 3.567611e-03 1.370305e-03 0.000485 0.002332 True native_MD 7 63 175 @@ -17048,9 +17048,9 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_7 CE1_AB42_19 1 8.849375e-04 1.531645e-06 ; 3.465035e-01 1.278224e-01 4.332134e-03 3.690723e-03 0.000485 0.002332 True native_MD 7 63 178 CB_AB42_7 CE2_AB42_19 1 8.849375e-04 1.531645e-06 ; 3.465035e-01 1.278224e-01 4.332134e-03 3.690723e-03 0.000485 0.002332 True native_MD 7 63 179 CB_AB42_7 CZ_AB42_19 1 1.286258e-03 2.945374e-06 ; 3.630519e-01 1.404286e-01 6.838379e-03 3.995069e-03 0.000485 0.002332 True native_MD 7 63 180 - CB_AB42_7 C_AB42_19 1 0.000000e+00 6.331640e-06 ; 3.285650e-01 -6.331640e-06 6.501435e-04 2.836394e-04 0.000485 0.000060 True native_MD 7 63 181 + CB_AB42_7 C_AB42_19 1 0.000000e+00 6.331533e-06 ; 3.285646e-01 -6.331533e-06 6.501435e-04 2.836394e-04 0.000485 0.000060 True native_MD 7 63 181 CB_AB42_7 O_AB42_19 1 7.678401e-04 2.098154e-06 ; 3.739048e-01 7.024966e-02 4.887592e-04 3.152053e-04 0.000485 0.001191 True native_MD 7 63 182 - CB_AB42_7 N_AB42_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 183 + CB_AB42_7 N_AB42_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 183 CB_AB42_7 CA_AB42_20 1 2.282462e-03 1.236279e-05 ; 4.190690e-01 1.053491e-01 1.738017e-03 1.269926e-03 0.000485 0.001021 True native_MD 7 63 185 CB_AB42_7 CB_AB42_20 1 1.730707e-03 6.261657e-06 ; 3.918119e-01 1.195908e-01 2.494663e-03 1.387644e-03 0.000485 0.001190 True native_MD 7 63 186 CB_AB42_7 CG_AB42_20 1 1.441880e-03 3.991760e-06 ; 3.747191e-01 1.302069e-01 2.939947e-03 7.626366e-04 0.000485 0.002332 True native_MD 7 63 187 @@ -17059,29 +17059,29 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_7 CE1_AB42_20 1 1.334696e-03 2.775920e-06 ; 3.572762e-01 1.604344e-01 7.578654e-03 2.433067e-03 0.000485 0.002332 True native_MD 7 63 190 CB_AB42_7 CE2_AB42_20 1 1.334696e-03 2.775920e-06 ; 3.572762e-01 1.604344e-01 7.578654e-03 2.433067e-03 0.000485 0.002332 True native_MD 7 63 191 CB_AB42_7 CZ_AB42_20 1 1.398469e-03 3.157978e-06 ; 3.622091e-01 1.548233e-01 8.606922e-03 3.268404e-03 0.000485 0.002332 True native_MD 7 63 192 - CB_AB42_7 C_AB42_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 193 + CB_AB42_7 C_AB42_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 193 CB_AB42_7 O_AB42_20 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 2.752736e-04 3.249704e-04 0.000485 0.001191 True native_MD 7 63 194 - CB_AB42_7 N_AB42_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 195 + CB_AB42_7 N_AB42_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 195 CB_AB42_7 CA_AB42_21 1 2.855778e-03 1.978682e-05 ; 4.366250e-01 1.030417e-01 1.917278e-03 1.501060e-03 0.000485 0.001021 True native_MD 7 63 197 CB_AB42_7 CB_AB42_21 1 8.601950e-04 1.603402e-06 ; 3.508119e-01 1.153696e-01 1.885834e-03 1.837358e-03 0.000485 0.002332 True native_MD 7 63 198 - CB_AB42_7 C_AB42_21 1 0.000000e+00 6.330387e-06 ; 3.285596e-01 -6.330387e-06 8.693331e-04 3.050352e-04 0.000485 0.000060 True native_MD 7 63 199 + CB_AB42_7 C_AB42_21 1 0.000000e+00 6.330281e-06 ; 3.285592e-01 -6.330281e-06 8.693331e-04 3.050352e-04 0.000485 0.000060 True native_MD 7 63 199 CB_AB42_7 O_AB42_21 1 4.580627e-04 5.975347e-07 ; 3.305519e-01 8.778629e-02 8.260621e-04 4.012692e-04 0.000485 0.001191 True native_MD 7 63 200 - CB_AB42_7 N_AB42_22 1 0.000000e+00 3.673651e-06 ; 3.139929e-01 -3.673651e-06 7.605481e-04 9.940228e-05 0.000485 0.000060 True native_MD 7 63 201 + CB_AB42_7 N_AB42_22 1 0.000000e+00 3.673603e-06 ; 3.139926e-01 -3.673603e-06 7.605481e-04 9.940228e-05 0.000485 0.000060 True native_MD 7 63 201 CB_AB42_7 CA_AB42_22 1 4.637921e-03 4.788415e-05 ; 4.666358e-01 1.123039e-01 1.720521e-03 6.249833e-04 0.000485 0.001021 True native_MD 7 63 203 CB_AB42_7 CB_AB42_22 1 1.050574e-03 2.732024e-06 ; 3.708312e-01 1.009971e-01 1.226616e-03 3.298125e-04 0.000485 0.001190 True native_MD 7 63 204 CB_AB42_7 CG_AB42_22 1 2.372446e-03 1.411785e-05 ; 4.256919e-01 9.966991e-02 1.178854e-03 6.916528e-04 0.000485 0.001190 True native_MD 7 63 205 - CB_AB42_7 CD_AB42_22 1 0.000000e+00 6.334687e-06 ; 3.285782e-01 -6.334687e-06 5.142532e-04 6.288190e-04 0.000485 0.000060 True native_MD 7 63 206 - CB_AB42_7 OE1_AB42_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 207 - CB_AB42_7 OE2_AB42_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 208 - CB_AB42_7 C_AB42_22 1 0.000000e+00 6.329091e-06 ; 3.285540e-01 -6.329091e-06 9.597013e-04 1.908957e-04 0.000485 0.000060 True native_MD 7 63 209 + CB_AB42_7 CD_AB42_22 1 0.000000e+00 6.334580e-06 ; 3.285778e-01 -6.334580e-06 5.142532e-04 6.288190e-04 0.000485 0.000060 True native_MD 7 63 206 + CB_AB42_7 OE1_AB42_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 207 + CB_AB42_7 OE2_AB42_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 208 + CB_AB42_7 C_AB42_22 1 0.000000e+00 6.328985e-06 ; 3.285536e-01 -6.328985e-06 9.597013e-04 1.908957e-04 0.000485 0.000060 True native_MD 7 63 209 CB_AB42_7 O_AB42_22 1 4.126605e-04 4.381193e-07 ; 3.193988e-01 9.717028e-02 1.093889e-03 1.982741e-04 0.000485 0.001191 True native_MD 7 63 210 - CB_AB42_7 N_AB42_23 1 0.000000e+00 3.674803e-06 ; 3.140011e-01 -3.674803e-06 4.979714e-04 1.501930e-04 0.000485 0.000060 True native_MD 7 63 211 + CB_AB42_7 N_AB42_23 1 0.000000e+00 3.674755e-06 ; 3.140008e-01 -3.674755e-06 4.979714e-04 1.501930e-04 0.000485 0.000060 True native_MD 7 63 211 CB_AB42_7 CA_AB42_23 1 1.555291e-03 5.968184e-06 ; 3.956748e-01 1.013260e-01 1.238750e-03 4.359718e-04 0.000485 0.001021 True native_MD 7 63 213 CB_AB42_7 CB_AB42_23 1 1.444666e-03 6.299055e-06 ; 4.041892e-01 8.283223e-02 7.122400e-04 7.344067e-04 0.000485 0.001190 True native_MD 7 63 214 - CB_AB42_7 CG_AB42_23 1 0.000000e+00 6.331101e-06 ; 3.285627e-01 -6.331101e-06 1.205023e-03 7.535008e-04 0.000485 0.000060 True native_MD 7 63 215 - CB_AB42_7 OD1_AB42_23 1 0.000000e+00 1.631023e-06 ; 2.934495e-01 -1.631023e-06 8.656070e-04 4.801544e-04 0.000485 0.000060 True native_MD 7 63 216 - CB_AB42_7 OD2_AB42_23 1 0.000000e+00 1.631023e-06 ; 2.934495e-01 -1.631023e-06 8.656070e-04 4.801544e-04 0.000485 0.000060 True native_MD 7 63 217 - CB_AB42_7 C_AB42_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 218 + CB_AB42_7 CG_AB42_23 1 0.000000e+00 6.330995e-06 ; 3.285623e-01 -6.330995e-06 1.205023e-03 7.535008e-04 0.000485 0.000060 True native_MD 7 63 215 + CB_AB42_7 OD1_AB42_23 1 0.000000e+00 1.631018e-06 ; 2.934494e-01 -1.631018e-06 8.656070e-04 4.801544e-04 0.000485 0.000060 True native_MD 7 63 216 + CB_AB42_7 OD2_AB42_23 1 0.000000e+00 1.631018e-06 ; 2.934494e-01 -1.631018e-06 8.656070e-04 4.801544e-04 0.000485 0.000060 True native_MD 7 63 217 + CB_AB42_7 C_AB42_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 218 CB_AB42_7 O_AB42_23 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 3.636917e-04 3.716675e-05 0.000485 0.001191 True native_MD 7 63 219 CB_AB42_7 N_AB42_24 1 6.623571e-04 1.477748e-06 ; 3.614804e-01 7.422050e-02 5.504306e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 63 220 CB_AB42_7 CA_AB42_24 1 3.857629e-03 2.492028e-05 ; 4.315576e-01 1.492891e-01 5.204077e-03 4.009078e-04 0.000485 0.001021 True native_MD 7 63 222 @@ -17097,15 +17097,15 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_7 N_AB42_26 1 7.259594e-04 1.252228e-06 ; 3.463075e-01 1.052158e-01 2.163438e-03 9.283022e-05 0.000485 0.000060 True native_MD 7 63 233 CB_AB42_7 CA_AB42_26 1 2.273057e-03 9.033639e-06 ; 3.979930e-01 1.429875e-01 4.309670e-03 1.008845e-03 0.000485 0.001021 True native_MD 7 63 235 CB_AB42_7 CB_AB42_26 1 2.142792e-03 8.544570e-06 ; 3.982157e-01 1.343414e-01 3.515308e-03 1.257537e-03 0.000485 0.001190 True native_MD 7 63 236 - CB_AB42_7 OG_AB42_26 1 0.000000e+00 2.779504e-06 ; 3.067790e-01 -2.779504e-06 2.259485e-03 8.219644e-04 0.000485 0.000060 True native_MD 7 63 237 - CB_AB42_7 C_AB42_26 1 0.000000e+00 6.324918e-06 ; 3.285360e-01 -6.324918e-06 1.635688e-03 2.079438e-04 0.000485 0.000060 True native_MD 7 63 238 + CB_AB42_7 OG_AB42_26 1 0.000000e+00 2.779463e-06 ; 3.067786e-01 -2.779463e-06 2.259485e-03 8.219644e-04 0.000485 0.000060 True native_MD 7 63 237 + CB_AB42_7 C_AB42_26 1 0.000000e+00 6.324812e-06 ; 3.285355e-01 -6.324812e-06 1.635688e-03 2.079438e-04 0.000485 0.000060 True native_MD 7 63 238 CB_AB42_7 O_AB42_26 1 4.502780e-04 5.321531e-07 ; 3.251567e-01 9.524999e-02 1.032799e-03 1.681298e-04 0.000485 0.001191 True native_MD 7 63 239 CB_AB42_7 N_AB42_27 1 1.256794e-03 4.227550e-06 ; 3.870830e-01 9.340698e-02 9.773786e-04 5.002120e-05 0.000485 0.000060 True native_MD 7 63 240 CB_AB42_7 CA_AB42_27 1 2.701613e-03 1.401974e-05 ; 4.160889e-01 1.301507e-01 2.935000e-03 3.721747e-04 0.000485 0.001021 True native_MD 7 63 242 CB_AB42_7 CB_AB42_27 1 1.662685e-03 5.294644e-06 ; 3.835640e-01 1.305338e-01 2.968850e-03 5.924976e-04 0.000485 0.001190 True native_MD 7 63 243 - CB_AB42_7 CG_AB42_27 1 0.000000e+00 6.317669e-06 ; 3.285046e-01 -6.317669e-06 3.113688e-03 5.415338e-04 0.000485 0.000060 True native_MD 7 63 244 + CB_AB42_7 CG_AB42_27 1 0.000000e+00 6.317563e-06 ; 3.285041e-01 -6.317563e-06 3.113688e-03 5.415338e-04 0.000485 0.000060 True native_MD 7 63 244 CB_AB42_7 OD1_AB42_27 1 6.108461e-04 7.725408e-07 ; 3.288503e-01 1.207486e-01 2.215202e-03 3.385099e-04 0.000485 0.001191 True native_MD 7 63 245 - CB_AB42_7 ND2_AB42_27 1 0.000000e+00 6.310899e-06 ; 3.284752e-01 -6.310899e-06 3.928235e-03 7.507016e-04 0.000485 0.000060 True native_MD 7 63 246 + CB_AB42_7 ND2_AB42_27 1 0.000000e+00 6.310863e-06 ; 3.284751e-01 -6.310863e-06 3.928235e-03 7.507016e-04 0.000485 0.000060 True native_MD 7 63 246 CB_AB42_7 C_AB42_27 1 9.826906e-04 3.299649e-06 ; 3.869681e-01 7.316542e-02 8.609306e-04 9.639658e-05 0.000485 0.000060 True native_MD 7 63 247 CB_AB42_7 O_AB42_27 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 4.837330e-04 1.689680e-04 0.000485 0.001191 True native_MD 7 63 248 CB_AB42_7 N_AB42_28 1 1.570714e-03 7.831174e-06 ; 4.133218e-01 7.876033e-02 6.305292e-04 2.264736e-06 0.000485 0.000060 True native_MD 7 63 249 @@ -17115,7 +17115,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_7 CD_AB42_28 1 2.593330e-03 9.538435e-06 ; 3.928890e-01 1.762701e-01 1.166828e-02 6.546809e-04 0.000485 0.001190 True native_MD 7 63 254 CB_AB42_7 CE_AB42_28 1 2.482154e-03 8.041063e-06 ; 3.846633e-01 1.915508e-01 1.843338e-02 9.743463e-04 0.000485 0.001190 True native_MD 7 63 255 CB_AB42_7 NZ_AB42_28 1 7.608513e-04 1.236328e-06 ; 3.428775e-01 1.170592e-01 1.881685e-02 5.664570e-04 0.000485 0.000060 True native_MD 7 63 256 - CB_AB42_7 C_AB42_28 1 0.000000e+00 6.328065e-06 ; 3.285496e-01 -6.328065e-06 1.130049e-03 1.991664e-04 0.000485 0.000060 True native_MD 7 63 257 + CB_AB42_7 C_AB42_28 1 0.000000e+00 6.327959e-06 ; 3.285491e-01 -6.327959e-06 1.130049e-03 1.991664e-04 0.000485 0.000060 True native_MD 7 63 257 CB_AB42_7 O_AB42_28 1 5.593377e-04 9.999797e-07 ; 3.483797e-01 7.821625e-02 6.203461e-04 1.864831e-04 0.000485 0.001191 True native_MD 7 63 258 CB_AB42_7 N_AB42_29 1 5.422750e-04 7.427049e-07 ; 3.332469e-01 9.898351e-02 1.154886e-03 7.890874e-06 0.000485 0.000060 True native_MD 7 63 259 CB_AB42_7 CA_AB42_29 1 1.758532e-03 5.691553e-06 ; 3.846036e-01 1.358345e-01 3.479195e-03 6.562034e-04 0.000485 0.001190 True native_MD 7 63 261 @@ -17134,7 +17134,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_7 CD_AB42_31 1 1.173333e-03 2.177212e-06 ; 3.505473e-01 1.580818e-01 6.770478e-03 7.329591e-04 0.000485 0.002332 True native_MD 7 63 276 CB_AB42_7 C_AB42_31 1 1.518589e-03 6.969946e-06 ; 4.076601e-01 8.271625e-02 1.237144e-03 1.040842e-04 0.000485 0.000060 True native_MD 7 63 277 CB_AB42_7 O_AB42_31 1 4.417871e-04 5.109745e-07 ; 3.239896e-01 9.549196e-02 1.040305e-03 1.826540e-04 0.000485 0.001191 True native_MD 7 63 278 - CB_AB42_7 N_AB42_32 1 0.000000e+00 3.674051e-06 ; 3.139957e-01 -3.674051e-06 6.468971e-04 9.446689e-05 0.000485 0.000060 True native_MD 7 63 279 + CB_AB42_7 N_AB42_32 1 0.000000e+00 3.674003e-06 ; 3.139954e-01 -3.674003e-06 6.468971e-04 9.446689e-05 0.000485 0.000060 True native_MD 7 63 279 CB_AB42_7 CA_AB42_32 1 3.082760e-03 1.687059e-05 ; 4.197897e-01 1.408280e-01 4.039973e-03 4.155625e-04 0.000485 0.001021 True native_MD 7 63 281 CB_AB42_7 CB_AB42_32 1 2.922836e-03 1.294711e-05 ; 4.052547e-01 1.649591e-01 8.317667e-03 5.925345e-04 0.000485 0.001021 True native_MD 7 63 282 CB_AB42_7 CG1_AB42_32 1 1.932656e-03 5.749338e-06 ; 3.792369e-01 1.624169e-01 7.708350e-03 3.527390e-04 0.000485 0.001190 True native_MD 7 63 283 @@ -17202,23 +17202,23 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_7 N_AB42_42 1 1.212336e-03 3.406429e-06 ; 3.756466e-01 1.078665e-01 1.506566e-03 4.995050e-05 0.000485 0.000060 True native_MD 7 63 354 CB_AB42_7 CA_AB42_42 1 3.937073e-03 2.539476e-05 ; 4.314480e-01 1.525958e-01 5.745407e-03 6.849873e-04 0.000485 0.001021 True native_MD 7 63 356 CB_AB42_7 CB_AB42_42 1 1.120206e-03 2.009528e-06 ; 3.485775e-01 1.561141e-01 6.383308e-03 7.142137e-04 0.000485 0.002332 True native_MD 7 63 357 - CB_AB42_7 C_AB42_42 1 0.000000e+00 6.330331e-06 ; 3.285594e-01 -6.330331e-06 9.149597e-04 3.417913e-04 0.000485 0.000060 True native_MD 7 63 358 + CB_AB42_7 C_AB42_42 1 0.000000e+00 6.330224e-06 ; 3.285589e-01 -6.330224e-06 9.149597e-04 3.417913e-04 0.000485 0.000060 True native_MD 7 63 358 CB_AB42_7 O1_AB42_42 1 7.786185e-04 1.796055e-06 ; 3.634956e-01 8.438590e-02 8.393707e-04 6.717666e-05 0.000485 0.000060 True native_MD 7 63 359 CB_AB42_7 O2_AB42_42 1 7.786185e-04 1.796055e-06 ; 3.634956e-01 8.438590e-02 8.393707e-04 6.717666e-05 0.000485 0.000060 True native_MD 7 63 360 - CG_AB42_7 O_AB42_7 1 0.000000e+00 8.537171e-07 ; 2.780382e-01 -8.537171e-07 6.054523e-01 6.378297e-01 0.000485 0.000060 True native_MD 4 64 68 - CG_AB42_7 N_AB42_8 1 0.000000e+00 1.470183e-06 ; 2.909216e-01 -1.470183e-06 7.753719e-01 7.501984e-01 0.000485 0.000060 True native_MD 4 64 69 - CG_AB42_7 CA_AB42_8 1 0.000000e+00 1.505492e-05 ; 3.531573e-01 -1.505492e-05 2.455289e-01 3.989980e-01 0.000485 0.000060 True native_MD 5 64 71 - CG_AB42_7 CB_AB42_8 1 0.000000e+00 6.315937e-06 ; 3.284971e-01 -6.315937e-06 6.816834e-02 6.532270e-02 0.000485 0.000060 True native_MD 6 64 72 + CG_AB42_7 O_AB42_7 1 0.000000e+00 8.537132e-07 ; 2.780381e-01 -8.537132e-07 6.054523e-01 6.378297e-01 0.000485 0.000060 True native_MD 4 64 68 + CG_AB42_7 N_AB42_8 1 0.000000e+00 1.470163e-06 ; 2.909213e-01 -1.470163e-06 7.753719e-01 7.501984e-01 0.000485 0.000060 True native_MD 4 64 69 + CG_AB42_7 CA_AB42_8 1 0.000000e+00 1.505484e-05 ; 3.531572e-01 -1.505484e-05 2.455289e-01 3.989980e-01 0.000485 0.000060 True native_MD 5 64 71 + CG_AB42_7 CB_AB42_8 1 0.000000e+00 6.315831e-06 ; 3.284966e-01 -6.315831e-06 6.816834e-02 6.532270e-02 0.000485 0.000060 True native_MD 6 64 72 CG_AB42_7 OG_AB42_8 1 7.120011e-04 1.116028e-06 ; 3.408258e-01 1.135602e-01 1.603305e-02 1.944006e-02 0.000485 0.002166 True native_MD 7 64 73 - CG_AB42_7 C_AB42_8 1 0.000000e+00 2.714791e-06 ; 3.061773e-01 -2.714791e-06 6.470187e-02 1.094269e-01 0.000485 0.000060 True native_MD 6 64 74 + CG_AB42_7 C_AB42_8 1 0.000000e+00 2.714743e-06 ; 3.061769e-01 -2.714743e-06 6.470187e-02 1.094269e-01 0.000485 0.000060 True native_MD 6 64 74 CG_AB42_7 O_AB42_8 1 8.711280e-04 1.619777e-06 ; 3.506675e-01 1.171247e-01 2.417365e-02 2.634498e-02 0.000485 0.002166 True native_MD 7 64 75 CG_AB42_7 N_AB42_9 1 3.508214e-04 3.677465e-07 ; 3.187208e-01 8.366882e-02 4.184675e-02 1.241159e-01 0.000485 0.002166 True native_MD 7 64 76 CG_AB42_7 CA_AB42_9 1 8.868394e-04 2.624216e-06 ; 3.789010e-01 7.492563e-02 4.036694e-02 1.137311e-01 0.000485 0.001584 True native_MD 7 64 78 CG_AB42_7 C_AB42_9 1 1.624862e-03 6.868764e-06 ; 4.021089e-01 9.609353e-02 1.355434e-02 2.771775e-02 0.000485 0.002166 True native_MD 7 64 79 - CG_AB42_7 O_AB42_9 1 0.000000e+00 8.339032e-07 ; 2.774947e-01 -8.339032e-07 8.750952e-04 9.292029e-03 0.000485 0.002166 True native_MD 7 64 80 + CG_AB42_7 O_AB42_9 1 0.000000e+00 8.338993e-07 ; 2.774946e-01 -8.338993e-07 8.750952e-04 9.292029e-03 0.000485 0.002166 True native_MD 7 64 80 CG_AB42_7 N_AB42_10 1 5.893347e-04 8.782271e-07 ; 3.379669e-01 9.886831e-02 1.378104e-02 2.593612e-02 0.000485 0.002166 True native_MD 7 64 81 CG_AB42_7 CA_AB42_10 1 1.564882e-03 8.671445e-06 ; 4.206637e-01 7.060110e-02 1.653953e-02 4.483134e-02 0.000485 0.001339 True native_MD 7 64 83 - CG_AB42_7 CB_AB42_10 1 0.000000e+00 6.406778e-06 ; 3.288882e-01 -6.406778e-06 4.240854e-02 5.390481e-02 0.000485 0.000060 True native_MD 7 64 84 + CG_AB42_7 CB_AB42_10 1 0.000000e+00 6.406670e-06 ; 3.288878e-01 -6.406670e-06 4.240854e-02 5.390481e-02 0.000485 0.000060 True native_MD 7 64 84 CG_AB42_7 CG_AB42_10 1 1.539033e-03 6.624542e-06 ; 4.033214e-01 8.938822e-02 7.557538e-03 2.885958e-02 0.000485 0.003309 True native_MD 7 64 85 CG_AB42_7 CD1_AB42_10 1 1.012724e-03 2.200216e-06 ; 3.598839e-01 1.165350e-01 2.362194e-02 4.003198e-02 0.000485 0.003309 True native_MD 7 64 86 CG_AB42_7 CD2_AB42_10 1 1.012724e-03 2.200216e-06 ; 3.598839e-01 1.165350e-01 2.362194e-02 4.003198e-02 0.000485 0.003309 True native_MD 7 64 87 @@ -17227,11 +17227,11 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CG_AB42_7 CZ_AB42_10 1 1.122150e-03 3.106074e-06 ; 3.747084e-01 1.013515e-01 1.200834e-02 3.205605e-02 0.000485 0.003309 True native_MD 7 64 90 CG_AB42_7 OH_AB42_10 1 3.495358e-04 2.834017e-07 ; 3.053644e-01 1.077757e-01 1.453269e-02 2.095108e-02 0.000485 0.002166 True native_MD 7 64 91 CG_AB42_7 C_AB42_10 1 1.328846e-03 5.566683e-06 ; 4.015013e-01 7.930357e-02 2.657214e-03 8.980896e-03 0.000485 0.002166 True native_MD 7 64 92 - CG_AB42_7 O_AB42_10 1 0.000000e+00 8.351809e-07 ; 2.775301e-01 -8.351809e-07 2.764893e-03 1.272689e-02 0.000485 0.002166 True native_MD 7 64 93 + CG_AB42_7 O_AB42_10 1 0.000000e+00 8.351770e-07 ; 2.775300e-01 -8.351770e-07 2.764893e-03 1.272689e-02 0.000485 0.002166 True native_MD 7 64 93 CG_AB42_7 N_AB42_11 1 3.720129e-04 3.779463e-07 ; 3.170628e-01 9.154318e-02 2.157279e-03 5.055122e-03 0.000485 0.002166 True native_MD 7 64 94 CG_AB42_7 CA_AB42_11 1 1.331283e-03 5.793404e-06 ; 4.040582e-01 7.647978e-02 7.303566e-03 1.660314e-02 0.000485 0.001339 True native_MD 7 64 96 - CG_AB42_7 CB_AB42_11 1 0.000000e+00 6.356554e-06 ; 3.286726e-01 -6.356554e-06 1.288946e-02 1.645644e-02 0.000485 0.000060 True native_MD 7 64 97 - CG_AB42_7 CG_AB42_11 1 0.000000e+00 6.380918e-06 ; 3.287774e-01 -6.380918e-06 1.113306e-02 1.854663e-02 0.000485 0.000060 True native_MD 7 64 98 + CG_AB42_7 CB_AB42_11 1 0.000000e+00 6.356447e-06 ; 3.286721e-01 -6.356447e-06 1.288946e-02 1.645644e-02 0.000485 0.000060 True native_MD 7 64 97 + CG_AB42_7 CG_AB42_11 1 0.000000e+00 6.380811e-06 ; 3.287769e-01 -6.380811e-06 1.113306e-02 1.854663e-02 0.000485 0.000060 True native_MD 7 64 98 CG_AB42_7 CD_AB42_11 1 1.068519e-03 2.939738e-06 ; 3.743298e-01 9.709474e-02 5.717001e-03 1.134581e-02 0.000485 0.002166 True native_MD 7 64 99 CG_AB42_7 OE1_AB42_11 1 5.802624e-04 8.947993e-07 ; 3.398992e-01 9.407263e-02 3.064395e-03 6.657377e-03 0.000485 0.002166 True native_MD 7 64 100 CG_AB42_7 OE2_AB42_11 1 5.802624e-04 8.947993e-07 ; 3.398992e-01 9.407263e-02 3.064395e-03 6.657377e-03 0.000485 0.002166 True native_MD 7 64 101 @@ -17239,13 +17239,13 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CG_AB42_7 O_AB42_11 1 5.028047e-04 6.349085e-07 ; 3.287648e-01 9.954686e-02 1.906630e-03 3.516218e-03 0.000485 0.002166 True native_MD 7 64 103 CG_AB42_7 N_AB42_12 1 8.293525e-04 1.515472e-06 ; 3.496510e-01 1.134672e-01 1.781472e-03 1.198439e-03 0.000485 0.002166 True native_MD 7 64 104 CG_AB42_7 CA_AB42_12 1 1.695618e-03 6.548004e-06 ; 3.960927e-01 1.097709e-01 8.113313e-03 6.810518e-03 0.000485 0.001339 True native_MD 7 64 106 - CG_AB42_7 CB_AB42_12 1 0.000000e+00 1.290981e-05 ; 3.486623e-01 -1.290981e-05 2.559295e-02 1.470931e-02 0.000485 0.000060 True native_MD 7 64 107 - CG_AB42_7 CG1_AB42_12 1 0.000000e+00 4.681976e-06 ; 3.204036e-01 -4.681976e-06 2.334184e-02 1.400221e-02 0.000485 0.000060 True native_MD 7 64 108 - CG_AB42_7 CG2_AB42_12 1 0.000000e+00 4.681823e-06 ; 3.204028e-01 -4.681823e-06 2.465087e-02 1.527896e-02 0.000485 0.000060 True native_MD 7 64 109 + CG_AB42_7 CB_AB42_12 1 0.000000e+00 1.290975e-05 ; 3.486622e-01 -1.290975e-05 2.559295e-02 1.470931e-02 0.000485 0.000060 True native_MD 7 64 107 + CG_AB42_7 CG1_AB42_12 1 0.000000e+00 4.681914e-06 ; 3.204033e-01 -4.681914e-06 2.334184e-02 1.400221e-02 0.000485 0.000060 True native_MD 7 64 108 + CG_AB42_7 CG2_AB42_12 1 0.000000e+00 4.681762e-06 ; 3.204024e-01 -4.681762e-06 2.465087e-02 1.527896e-02 0.000485 0.000060 True native_MD 7 64 109 CG_AB42_7 C_AB42_12 1 1.954023e-03 9.461195e-06 ; 4.113101e-01 1.008912e-01 1.222736e-03 1.738694e-03 0.000485 0.002166 True native_MD 7 64 110 CG_AB42_7 N_AB42_13 1 8.643764e-04 1.982787e-06 ; 3.631579e-01 9.420407e-02 1.000973e-03 8.025862e-04 0.000485 0.002166 True native_MD 7 64 112 - CG_AB42_7 CA_AB42_13 1 0.000000e+00 1.311937e-05 ; 3.491305e-01 -1.311937e-05 2.388217e-03 7.560179e-03 0.000485 0.001339 True native_MD 7 64 114 - CG_AB42_7 CB_AB42_13 1 0.000000e+00 6.371588e-06 ; 3.287373e-01 -6.371588e-06 2.341499e-03 8.282047e-03 0.000485 0.000060 True native_MD 7 64 115 + CG_AB42_7 CA_AB42_13 1 0.000000e+00 1.311930e-05 ; 3.491303e-01 -1.311930e-05 2.388217e-03 7.560179e-03 0.000485 0.001339 True native_MD 7 64 114 + CG_AB42_7 CB_AB42_13 1 0.000000e+00 6.371481e-06 ; 3.287368e-01 -6.371481e-06 2.341499e-03 8.282047e-03 0.000485 0.000060 True native_MD 7 64 115 CG_AB42_7 CG_AB42_13 1 1.413128e-03 6.395438e-06 ; 4.067068e-01 7.806071e-02 1.837564e-03 6.445974e-03 0.000485 0.002166 True native_MD 7 64 116 CG_AB42_7 ND1_AB42_13 1 7.547278e-04 1.664108e-06 ; 3.607712e-01 8.557345e-02 3.206944e-03 8.984736e-03 0.000485 0.002166 True native_MD 7 64 117 CG_AB42_7 CD2_AB42_13 1 8.407273e-04 1.480040e-06 ; 3.474852e-01 1.193925e-01 7.165668e-03 1.114836e-02 0.000485 0.003309 True native_MD 7 64 118 @@ -17255,7 +17255,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CG_AB42_7 O_AB42_13 1 7.270153e-04 1.231534e-06 ; 3.452633e-01 1.072953e-01 1.481033e-03 1.147213e-03 0.000485 0.002166 True native_MD 7 64 122 CG_AB42_7 N_AB42_14 1 3.583636e-04 4.143904e-07 ; 3.239771e-01 7.747792e-02 6.067897e-04 1.284235e-03 0.000485 0.002166 True native_MD 7 64 123 CG_AB42_7 CA_AB42_14 1 9.945920e-04 2.079827e-06 ; 3.575996e-01 1.189057e-01 5.461157e-03 3.487742e-03 0.000485 0.001339 True native_MD 7 64 125 - CG_AB42_7 CB_AB42_14 1 0.000000e+00 6.323324e-06 ; 3.285291e-01 -6.323324e-06 6.090414e-03 4.411048e-03 0.000485 0.000060 True native_MD 7 64 126 + CG_AB42_7 CB_AB42_14 1 0.000000e+00 6.323218e-06 ; 3.285286e-01 -6.323218e-06 6.090414e-03 4.411048e-03 0.000485 0.000060 True native_MD 7 64 126 CG_AB42_7 CG_AB42_14 1 1.198377e-03 2.780987e-06 ; 3.638600e-01 1.291004e-01 4.542943e-03 3.459690e-03 0.000485 0.002166 True native_MD 7 64 127 CG_AB42_7 ND1_AB42_14 1 1.741300e-03 6.465323e-06 ; 3.935073e-01 1.172457e-01 4.099518e-03 4.451573e-03 0.000485 0.002166 True native_MD 7 64 128 CG_AB42_7 CD2_AB42_14 1 8.607070e-04 1.241933e-06 ; 3.361557e-01 1.491257e-01 1.100901e-02 7.035088e-03 0.000485 0.003309 True native_MD 7 64 129 @@ -17265,8 +17265,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CG_AB42_7 O_AB42_14 1 8.899481e-04 1.992836e-06 ; 3.617022e-01 9.935684e-02 1.167861e-03 6.739379e-04 0.000485 0.002166 True native_MD 7 64 133 CG_AB42_7 N_AB42_15 1 3.478930e-04 2.552787e-07 ; 3.003273e-01 1.185269e-01 2.072706e-03 2.957261e-04 0.000485 0.002166 True native_MD 7 64 134 CG_AB42_7 CA_AB42_15 1 1.341143e-03 3.110512e-06 ; 3.638252e-01 1.445634e-01 4.757202e-03 1.409766e-03 0.000485 0.001339 True native_MD 7 64 136 - CG_AB42_7 CB_AB42_15 1 0.000000e+00 6.311404e-06 ; 3.284774e-01 -6.311404e-06 4.979758e-03 1.418474e-03 0.000485 0.000060 True native_MD 7 64 137 - CG_AB42_7 CG_AB42_15 1 0.000000e+00 6.305877e-06 ; 3.284534e-01 -6.305877e-06 6.169623e-03 1.735732e-03 0.000485 0.000060 True native_MD 7 64 138 + CG_AB42_7 CB_AB42_15 1 0.000000e+00 6.311298e-06 ; 3.284769e-01 -6.311298e-06 4.979758e-03 1.418474e-03 0.000485 0.000060 True native_MD 7 64 137 + CG_AB42_7 CG_AB42_15 1 0.000000e+00 6.305771e-06 ; 3.284530e-01 -6.305771e-06 6.169623e-03 1.735732e-03 0.000485 0.000060 True native_MD 7 64 138 CG_AB42_7 CD_AB42_15 1 2.240735e-03 7.480119e-06 ; 3.865921e-01 1.678079e-01 9.057880e-03 1.981976e-03 0.000485 0.002166 True native_MD 7 64 139 CG_AB42_7 OE1_AB42_15 1 1.072907e-03 2.062810e-06 ; 3.526275e-01 1.395098e-01 3.883707e-03 1.504350e-03 0.000485 0.002166 True native_MD 7 64 140 CG_AB42_7 NE2_AB42_15 1 4.696507e-04 3.419814e-07 ; 2.999424e-01 1.612455e-01 1.141242e-02 3.321335e-03 0.000485 0.002166 True native_MD 7 64 141 @@ -17274,7 +17274,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CG_AB42_7 O_AB42_15 1 3.994862e-04 5.311547e-07 ; 3.316041e-01 7.511429e-02 5.653519e-04 1.845027e-04 0.000485 0.002166 True native_MD 7 64 143 CG_AB42_7 N_AB42_16 1 3.235666e-04 2.335420e-07 ; 2.995023e-01 1.120734e-01 1.708692e-03 5.148848e-05 0.000485 0.002166 True native_MD 7 64 144 CG_AB42_7 CA_AB42_16 1 1.631733e-03 4.425098e-06 ; 3.734327e-01 1.504233e-01 5.383752e-03 9.230562e-04 0.000485 0.001339 True native_MD 7 64 146 - CG_AB42_7 CB_AB42_16 1 0.000000e+00 6.298143e-06 ; 3.284198e-01 -6.298143e-06 6.708220e-03 1.053256e-03 0.000485 0.000060 True native_MD 7 64 147 + CG_AB42_7 CB_AB42_16 1 0.000000e+00 6.298037e-06 ; 3.284194e-01 -6.298037e-06 6.708220e-03 1.053256e-03 0.000485 0.000060 True native_MD 7 64 147 CG_AB42_7 CG_AB42_16 1 7.530437e-04 2.007150e-06 ; 3.723574e-01 7.063185e-02 1.253652e-02 1.514253e-03 0.000485 0.000060 True native_MD 7 64 148 CG_AB42_7 CD_AB42_16 1 6.363046e-04 1.349808e-06 ; 3.584549e-01 7.498909e-02 2.600972e-02 2.757576e-03 0.000485 0.000060 True native_MD 7 64 149 CG_AB42_7 CE_AB42_16 1 6.114707e-04 1.272146e-06 ; 3.572949e-01 7.347753e-02 3.445491e-02 3.821978e-03 0.000485 0.000060 True native_MD 7 64 150 @@ -17283,18 +17283,18 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CG_AB42_7 O_AB42_16 1 1.238097e-03 3.988635e-06 ; 3.843070e-01 9.607824e-02 1.058718e-03 1.196579e-04 0.000485 0.002166 True native_MD 7 64 153 CG_AB42_7 N_AB42_17 1 3.471011e-04 2.627764e-07 ; 3.018944e-01 1.146214e-01 1.844080e-03 9.991957e-05 0.000485 0.002166 True native_MD 7 64 154 CG_AB42_7 CA_AB42_17 1 2.086209e-03 8.541934e-06 ; 3.999752e-01 1.273794e-01 2.701415e-03 6.253197e-04 0.000485 0.001339 True native_MD 7 64 156 - CG_AB42_7 CB_AB42_17 1 0.000000e+00 6.308868e-06 ; 3.284664e-01 -6.308868e-06 4.766171e-03 8.045811e-04 0.000485 0.000060 True native_MD 7 64 157 - CG_AB42_7 CG_AB42_17 1 0.000000e+00 1.300430e-05 ; 3.488742e-01 -1.300430e-05 6.061541e-03 2.417041e-03 0.000485 0.000060 True native_MD 7 64 158 - CG_AB42_7 CD1_AB42_17 1 0.000000e+00 4.710461e-06 ; 3.205656e-01 -4.710461e-06 5.377757e-03 2.065407e-03 0.000485 0.000060 True native_MD 7 64 159 - CG_AB42_7 CD2_AB42_17 1 0.000000e+00 4.713376e-06 ; 3.205822e-01 -4.713376e-06 5.036527e-03 2.340846e-03 0.000485 0.000060 True native_MD 7 64 160 + CG_AB42_7 CB_AB42_17 1 0.000000e+00 6.308763e-06 ; 3.284659e-01 -6.308763e-06 4.766171e-03 8.045811e-04 0.000485 0.000060 True native_MD 7 64 157 + CG_AB42_7 CG_AB42_17 1 0.000000e+00 1.300423e-05 ; 3.488741e-01 -1.300423e-05 6.061541e-03 2.417041e-03 0.000485 0.000060 True native_MD 7 64 158 + CG_AB42_7 CD1_AB42_17 1 0.000000e+00 4.710400e-06 ; 3.205653e-01 -4.710400e-06 5.377757e-03 2.065407e-03 0.000485 0.000060 True native_MD 7 64 159 + CG_AB42_7 CD2_AB42_17 1 0.000000e+00 4.713314e-06 ; 3.205818e-01 -4.713314e-06 5.036527e-03 2.340846e-03 0.000485 0.000060 True native_MD 7 64 160 CG_AB42_7 C_AB42_17 1 1.666710e-03 9.381239e-06 ; 4.217613e-01 7.402869e-02 5.472802e-04 1.915965e-04 0.000485 0.002166 True native_MD 7 64 161 CG_AB42_7 O_AB42_17 1 9.856321e-04 2.747557e-06 ; 3.751503e-01 8.839402e-02 8.412230e-04 5.029552e-04 0.000485 0.002166 True native_MD 7 64 162 CG_AB42_7 CA_AB42_18 1 2.561152e-03 1.661155e-05 ; 4.318462e-01 9.871896e-02 1.145779e-03 1.004913e-03 0.000485 0.001339 True native_MD 7 64 165 - CG_AB42_7 CB_AB42_18 1 0.000000e+00 1.303259e-05 ; 3.489374e-01 -1.303259e-05 3.229403e-03 1.752401e-03 0.000485 0.000060 True native_MD 7 64 166 - CG_AB42_7 CG1_AB42_18 1 0.000000e+00 4.722204e-06 ; 3.206321e-01 -4.722204e-06 2.699343e-03 1.871651e-03 0.000485 0.000060 True native_MD 7 64 167 - CG_AB42_7 CG2_AB42_18 1 0.000000e+00 4.718756e-06 ; 3.206126e-01 -4.718756e-06 2.995089e-03 1.437785e-03 0.000485 0.000060 True native_MD 7 64 168 + CG_AB42_7 CB_AB42_18 1 0.000000e+00 1.303252e-05 ; 3.489373e-01 -1.303252e-05 3.229403e-03 1.752401e-03 0.000485 0.000060 True native_MD 7 64 166 + CG_AB42_7 CG1_AB42_18 1 0.000000e+00 4.722142e-06 ; 3.206318e-01 -4.722142e-06 2.699343e-03 1.871651e-03 0.000485 0.000060 True native_MD 7 64 167 + CG_AB42_7 CG2_AB42_18 1 0.000000e+00 4.718694e-06 ; 3.206123e-01 -4.718694e-06 2.995089e-03 1.437785e-03 0.000485 0.000060 True native_MD 7 64 168 CG_AB42_7 CA_AB42_19 1 2.146609e-03 1.429521e-05 ; 4.337501e-01 8.058527e-02 6.659220e-04 1.177117e-03 0.000485 0.001339 True native_MD 7 64 173 - CG_AB42_7 CB_AB42_19 1 0.000000e+00 6.336339e-06 ; 3.285854e-01 -6.336339e-06 1.572038e-03 1.947533e-03 0.000485 0.000060 True native_MD 7 64 174 + CG_AB42_7 CB_AB42_19 1 0.000000e+00 6.336233e-06 ; 3.285849e-01 -6.336233e-06 1.572038e-03 1.947533e-03 0.000485 0.000060 True native_MD 7 64 174 CG_AB42_7 CG_AB42_19 1 1.204047e-03 3.901221e-06 ; 3.846740e-01 9.290223e-02 9.627263e-04 1.341059e-03 0.000485 0.003309 True native_MD 7 64 175 CG_AB42_7 CD1_AB42_19 1 6.978369e-04 1.195050e-06 ; 3.458905e-01 1.018736e-01 1.259219e-03 2.357207e-03 0.000485 0.003309 True native_MD 7 64 176 CG_AB42_7 CD2_AB42_19 1 6.978369e-04 1.195050e-06 ; 3.458905e-01 1.018736e-01 1.259219e-03 2.357207e-03 0.000485 0.003309 True native_MD 7 64 177 @@ -17302,7 +17302,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CG_AB42_7 CE2_AB42_19 1 8.020656e-04 1.341175e-06 ; 3.445186e-01 1.199152e-01 2.309327e-03 3.537091e-03 0.000485 0.003309 True native_MD 7 64 179 CG_AB42_7 CZ_AB42_19 1 1.107598e-03 2.477941e-06 ; 3.616470e-01 1.237693e-01 2.558607e-03 3.491994e-03 0.000485 0.003309 True native_MD 7 64 180 CG_AB42_7 CA_AB42_20 1 8.842321e-04 2.230459e-06 ; 3.689532e-01 8.763516e-02 8.223344e-04 1.293126e-03 0.000485 0.001339 True native_MD 7 64 185 - CG_AB42_7 CB_AB42_20 1 0.000000e+00 6.333889e-06 ; 3.285748e-01 -6.333889e-06 1.487011e-03 1.475584e-03 0.000485 0.000060 True native_MD 7 64 186 + CG_AB42_7 CB_AB42_20 1 0.000000e+00 6.333782e-06 ; 3.285743e-01 -6.333782e-06 1.487011e-03 1.475584e-03 0.000485 0.000060 True native_MD 7 64 186 CG_AB42_7 CG_AB42_20 1 1.170036e-03 3.934467e-06 ; 3.870625e-01 8.698660e-02 8.065278e-04 9.850232e-04 0.000485 0.003309 True native_MD 7 64 187 CG_AB42_7 CD1_AB42_20 1 1.040181e-03 2.456922e-06 ; 3.649335e-01 1.100948e-01 1.610454e-03 1.617445e-03 0.000485 0.003309 True native_MD 7 64 188 CG_AB42_7 CD2_AB42_20 1 1.040181e-03 2.456922e-06 ; 3.649335e-01 1.100948e-01 1.610454e-03 1.617445e-03 0.000485 0.003309 True native_MD 7 64 189 @@ -17310,19 +17310,19 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CG_AB42_7 CE2_AB42_20 1 9.795250e-04 1.800607e-06 ; 3.499994e-01 1.332147e-01 3.216844e-03 2.839731e-03 0.000485 0.003309 True native_MD 7 64 191 CG_AB42_7 CZ_AB42_20 1 1.489825e-03 3.813547e-06 ; 3.698557e-01 1.455061e-01 4.670564e-03 3.326088e-03 0.000485 0.003309 True native_MD 7 64 192 CG_AB42_7 CA_AB42_21 1 2.185496e-03 1.118150e-05 ; 4.151053e-01 1.067923e-01 1.458907e-03 1.215325e-03 0.000485 0.001339 True native_MD 7 64 197 - CG_AB42_7 CB_AB42_21 1 0.000000e+00 4.726436e-06 ; 3.206561e-01 -4.726436e-06 1.658025e-03 1.725752e-03 0.000485 0.000060 True native_MD 7 64 198 + CG_AB42_7 CB_AB42_21 1 0.000000e+00 4.726374e-06 ; 3.206557e-01 -4.726374e-06 1.658025e-03 1.725752e-03 0.000485 0.000060 True native_MD 7 64 198 CG_AB42_7 C_AB42_21 1 1.621847e-03 7.301158e-06 ; 4.063469e-01 9.006749e-02 8.844242e-04 1.412419e-04 0.000485 0.002166 True native_MD 7 64 199 CG_AB42_7 O_AB42_21 1 6.596115e-04 1.243519e-06 ; 3.514747e-01 8.747096e-02 8.183034e-04 2.001374e-04 0.000485 0.002166 True native_MD 7 64 200 - CG_AB42_7 CB_AB42_22 1 0.000000e+00 6.332734e-06 ; 3.285698e-01 -6.332734e-06 5.709164e-04 3.771925e-04 0.000485 0.000060 True native_MD 7 64 204 - CG_AB42_7 CG_AB42_22 1 0.000000e+00 6.332445e-06 ; 3.285685e-01 -6.332445e-06 6.493358e-04 4.100037e-04 0.000485 0.000060 True native_MD 7 64 205 + CG_AB42_7 CB_AB42_22 1 0.000000e+00 6.332628e-06 ; 3.285693e-01 -6.332628e-06 5.709164e-04 3.771925e-04 0.000485 0.000060 True native_MD 7 64 204 + CG_AB42_7 CG_AB42_22 1 0.000000e+00 6.332339e-06 ; 3.285681e-01 -6.332339e-06 6.493358e-04 4.100037e-04 0.000485 0.000060 True native_MD 7 64 205 CG_AB42_7 CA_AB42_23 1 2.447410e-03 2.114073e-05 ; 4.529694e-01 7.083261e-02 4.973606e-04 4.986880e-04 0.000485 0.001339 True native_MD 7 64 213 - CG_AB42_7 CB_AB42_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 214 + CG_AB42_7 CB_AB42_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 214 CG_AB42_7 OD1_AB42_23 1 4.456494e-04 6.561226e-07 ; 3.372862e-01 7.567311e-02 5.748859e-04 3.367810e-04 0.000485 0.002166 True native_MD 7 64 216 CG_AB42_7 OD2_AB42_23 1 4.456494e-04 6.561226e-07 ; 3.372862e-01 7.567311e-02 5.748859e-04 3.367810e-04 0.000485 0.002166 True native_MD 7 64 217 CG_AB42_7 CA_AB42_24 1 1.229083e-03 3.174370e-06 ; 3.704072e-01 1.189720e-01 2.100501e-03 2.569718e-04 0.000485 0.001339 True native_MD 7 64 222 - CG_AB42_7 CB_AB42_24 1 0.000000e+00 1.300290e-05 ; 3.488711e-01 -1.300290e-05 4.678753e-03 9.272483e-04 0.000485 0.000060 True native_MD 7 64 223 - CG_AB42_7 CG1_AB42_24 1 0.000000e+00 4.710029e-06 ; 3.205632e-01 -4.710029e-06 4.498303e-03 1.094604e-03 0.000485 0.000060 True native_MD 7 64 224 - CG_AB42_7 CG2_AB42_24 1 0.000000e+00 4.713812e-06 ; 3.205846e-01 -4.713812e-06 3.295470e-03 6.920253e-04 0.000485 0.000060 True native_MD 7 64 225 + CG_AB42_7 CB_AB42_24 1 0.000000e+00 1.300283e-05 ; 3.488710e-01 -1.300283e-05 4.678753e-03 9.272483e-04 0.000485 0.000060 True native_MD 7 64 223 + CG_AB42_7 CG1_AB42_24 1 0.000000e+00 4.709968e-06 ; 3.205628e-01 -4.709968e-06 4.498303e-03 1.094604e-03 0.000485 0.000060 True native_MD 7 64 224 + CG_AB42_7 CG2_AB42_24 1 0.000000e+00 4.713750e-06 ; 3.205843e-01 -4.713750e-06 3.295470e-03 6.920253e-04 0.000485 0.000060 True native_MD 7 64 225 CG_AB42_7 C_AB42_24 1 1.208421e-03 3.482691e-06 ; 3.772386e-01 1.048242e-01 1.375463e-03 8.940486e-05 0.000485 0.002166 True native_MD 7 64 226 CG_AB42_7 N_AB42_25 1 3.814895e-04 3.092067e-07 ; 3.053475e-01 1.176674e-01 2.020076e-03 2.190533e-04 0.000485 0.002166 True native_MD 7 64 228 CG_AB42_7 CA_AB42_25 1 1.108400e-03 2.058198e-06 ; 3.505891e-01 1.492264e-01 5.194331e-03 9.864945e-04 0.000485 0.001584 True native_MD 7 64 230 @@ -17330,12 +17330,12 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CG_AB42_7 O_AB42_25 1 4.031078e-04 4.619008e-07 ; 3.234853e-01 8.794957e-02 8.301082e-04 2.450081e-04 0.000485 0.002166 True native_MD 7 64 232 CG_AB42_7 N_AB42_26 1 4.142504e-04 3.855805e-07 ; 3.124703e-01 1.112630e-01 1.667754e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 64 233 CG_AB42_7 CA_AB42_26 1 2.080327e-03 8.044707e-06 ; 3.961836e-01 1.344909e-01 3.342082e-03 7.634170e-04 0.000485 0.001339 True native_MD 7 64 235 - CG_AB42_7 CB_AB42_26 1 0.000000e+00 6.324010e-06 ; 3.285320e-01 -6.324010e-06 2.914403e-03 1.343281e-03 0.000485 0.000060 True native_MD 7 64 236 + CG_AB42_7 CB_AB42_26 1 0.000000e+00 6.323903e-06 ; 3.285316e-01 -6.323903e-06 2.914403e-03 1.343281e-03 0.000485 0.000060 True native_MD 7 64 236 CG_AB42_7 OG_AB42_26 1 3.160280e-04 2.232429e-07 ; 2.984297e-01 1.118442e-01 1.697013e-03 1.034253e-03 0.000485 0.002166 True native_MD 7 64 237 CG_AB42_7 C_AB42_26 1 9.969237e-04 2.966857e-06 ; 3.792618e-01 8.374660e-02 7.319984e-04 1.486536e-04 0.000485 0.002166 True native_MD 7 64 238 CG_AB42_7 O_AB42_26 1 4.295276e-04 6.008513e-07 ; 3.344229e-01 7.676356e-02 5.939554e-04 1.999620e-04 0.000485 0.002166 True native_MD 7 64 239 CG_AB42_7 CA_AB42_27 1 1.472919e-03 5.071579e-06 ; 3.885922e-01 1.069435e-01 1.465521e-03 3.078590e-04 0.000485 0.001339 True native_MD 7 64 242 - CG_AB42_7 CB_AB42_27 1 0.000000e+00 6.324948e-06 ; 3.285361e-01 -6.324948e-06 1.855551e-03 4.325871e-04 0.000485 0.000060 True native_MD 7 64 243 + CG_AB42_7 CB_AB42_27 1 0.000000e+00 6.324842e-06 ; 3.285356e-01 -6.324842e-06 1.855551e-03 4.325871e-04 0.000485 0.000060 True native_MD 7 64 243 CG_AB42_7 CG_AB42_27 1 1.747845e-03 6.482399e-06 ; 3.934342e-01 1.178175e-01 2.029172e-03 4.418725e-04 0.000485 0.002166 True native_MD 7 64 244 CG_AB42_7 OD1_AB42_27 1 7.619554e-04 1.463964e-06 ; 3.525874e-01 9.914451e-02 1.160464e-03 3.623004e-04 0.000485 0.002166 True native_MD 7 64 245 CG_AB42_7 ND2_AB42_27 1 5.581678e-04 6.301962e-07 ; 3.226898e-01 1.235930e-01 2.412015e-03 5.988993e-04 0.000485 0.002166 True native_MD 7 64 246 @@ -17351,18 +17351,18 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CG_AB42_7 C_AB42_29 1 1.317359e-03 4.148611e-06 ; 3.828539e-01 1.045792e-01 1.365416e-03 2.114084e-04 0.000485 0.002166 True native_MD 7 64 262 CG_AB42_7 N_AB42_30 1 3.152110e-04 2.433580e-07 ; 3.028824e-01 1.020698e-01 1.266631e-03 1.700149e-04 0.000485 0.002166 True native_MD 7 64 264 CG_AB42_7 CA_AB42_30 1 1.605913e-03 4.876352e-06 ; 3.805358e-01 1.322174e-01 3.122263e-03 4.999502e-04 0.000485 0.001339 True native_MD 7 64 266 - CG_AB42_7 CB_AB42_30 1 0.000000e+00 4.713856e-06 ; 3.205849e-01 -4.713856e-06 3.333074e-03 7.389688e-04 0.000485 0.000060 True native_MD 7 64 267 + CG_AB42_7 CB_AB42_30 1 0.000000e+00 4.713794e-06 ; 3.205845e-01 -4.713794e-06 3.333074e-03 7.389688e-04 0.000485 0.000060 True native_MD 7 64 267 CG_AB42_7 C_AB42_30 1 1.071398e-03 3.390128e-06 ; 3.831577e-01 8.464965e-02 7.520502e-04 8.754821e-05 0.000485 0.002166 True native_MD 7 64 268 CG_AB42_7 O_AB42_30 1 7.735312e-04 2.010616e-06 ; 3.708018e-01 7.439890e-02 5.533771e-04 1.791457e-04 0.000485 0.002166 True native_MD 7 64 269 CG_AB42_7 CA_AB42_31 1 1.441197e-03 5.857001e-06 ; 3.994772e-01 8.865664e-02 8.478603e-04 7.147509e-05 0.000485 0.001339 True native_MD 7 64 272 - CG_AB42_7 CB_AB42_31 1 0.000000e+00 1.302714e-05 ; 3.489253e-01 -1.302714e-05 2.228749e-03 3.346714e-04 0.000485 0.000060 True native_MD 7 64 273 + CG_AB42_7 CB_AB42_31 1 0.000000e+00 1.302708e-05 ; 3.489251e-01 -1.302708e-05 2.228749e-03 3.346714e-04 0.000485 0.000060 True native_MD 7 64 273 CG_AB42_7 CG1_AB42_31 1 7.810979e-04 2.033594e-06 ; 3.709025e-01 7.500441e-02 2.499698e-03 2.648990e-04 0.000485 0.000060 True native_MD 7 64 274 - CG_AB42_7 CG2_AB42_31 1 0.000000e+00 4.717011e-06 ; 3.206027e-01 -4.717011e-06 2.343225e-03 4.166564e-04 0.000485 0.000060 True native_MD 7 64 275 - CG_AB42_7 CD_AB42_31 1 0.000000e+00 4.707238e-06 ; 3.205473e-01 -4.707238e-06 4.571986e-03 5.775812e-04 0.000485 0.000060 True native_MD 7 64 276 + CG_AB42_7 CG2_AB42_31 1 0.000000e+00 4.716949e-06 ; 3.206024e-01 -4.716949e-06 2.343225e-03 4.166564e-04 0.000485 0.000060 True native_MD 7 64 275 + CG_AB42_7 CD_AB42_31 1 0.000000e+00 4.707176e-06 ; 3.205470e-01 -4.707176e-06 4.571986e-03 5.775812e-04 0.000485 0.000060 True native_MD 7 64 276 CG_AB42_7 CA_AB42_32 1 2.019006e-03 1.068861e-05 ; 4.174751e-01 9.534410e-02 1.035712e-03 3.771716e-04 0.000485 0.001339 True native_MD 7 64 281 - CG_AB42_7 CB_AB42_32 1 0.000000e+00 1.301648e-05 ; 3.489015e-01 -1.301648e-05 3.144908e-03 4.335265e-04 0.000485 0.000060 True native_MD 7 64 282 + CG_AB42_7 CB_AB42_32 1 0.000000e+00 1.301641e-05 ; 3.489013e-01 -1.301641e-05 3.144908e-03 4.335265e-04 0.000485 0.000060 True native_MD 7 64 282 CG_AB42_7 CG1_AB42_32 1 1.176941e-03 4.643667e-06 ; 3.975128e-01 7.457411e-02 3.372728e-03 3.620483e-04 0.000485 0.000060 True native_MD 7 64 283 - CG_AB42_7 CG2_AB42_32 1 0.000000e+00 4.710252e-06 ; 3.205644e-01 -4.710252e-06 3.925184e-03 5.686507e-04 0.000485 0.000060 True native_MD 7 64 284 + CG_AB42_7 CG2_AB42_32 1 0.000000e+00 4.710191e-06 ; 3.205641e-01 -4.710191e-06 3.925184e-03 5.686507e-04 0.000485 0.000060 True native_MD 7 64 284 CG_AB42_7 CD_AB42_32 1 7.577988e-04 1.936958e-06 ; 3.697666e-01 7.411868e-02 4.777278e-03 5.198580e-04 0.000485 0.000060 True native_MD 7 64 285 CG_AB42_7 N_AB42_33 1 3.676922e-04 3.775228e-07 ; 3.176214e-01 8.952939e-02 8.702963e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 64 288 CG_AB42_7 CA_AB42_33 1 1.037255e-03 1.630086e-06 ; 3.409737e-01 1.650062e-01 8.329412e-03 5.533950e-04 0.000485 0.001584 True native_MD 7 64 290 @@ -17413,19 +17413,19 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CG_AB42_7 O_AB42_40 1 6.692838e-04 1.480419e-06 ; 3.609628e-01 7.564425e-02 5.743896e-04 6.881213e-05 0.000485 0.002166 True native_MD 7 64 344 CG_AB42_7 CA_AB42_41 1 1.433269e-03 5.452340e-06 ; 3.951020e-01 9.419161e-02 1.000600e-03 9.341991e-05 0.000485 0.001339 True native_MD 7 64 347 CG_AB42_7 CB_AB42_41 1 1.000353e-03 3.554320e-06 ; 3.906315e-01 7.038656e-02 2.433939e-03 2.961550e-04 0.000485 0.000060 True native_MD 7 64 348 - CG_AB42_7 CG1_AB42_41 1 0.000000e+00 6.319879e-06 ; 3.285141e-01 -6.319879e-06 2.541131e-03 3.178094e-04 0.000485 0.000060 True native_MD 7 64 349 + CG_AB42_7 CG1_AB42_41 1 0.000000e+00 6.319773e-06 ; 3.285137e-01 -6.319773e-06 2.541131e-03 3.178094e-04 0.000485 0.000060 True native_MD 7 64 349 CG_AB42_7 CG2_AB42_41 1 6.321320e-04 1.260347e-06 ; 3.547701e-01 7.926210e-02 2.677871e-03 2.498312e-04 0.000485 0.000060 True native_MD 7 64 350 - CG_AB42_7 CD_AB42_41 1 0.000000e+00 4.709383e-06 ; 3.205595e-01 -4.709383e-06 4.078682e-03 5.382840e-04 0.000485 0.000060 True native_MD 7 64 351 + CG_AB42_7 CD_AB42_41 1 0.000000e+00 4.709322e-06 ; 3.205592e-01 -4.709322e-06 4.078682e-03 5.382840e-04 0.000485 0.000060 True native_MD 7 64 351 CG_AB42_7 CA_AB42_42 1 3.276649e-03 2.032770e-05 ; 4.286568e-01 1.320418e-01 3.105898e-03 4.256954e-04 0.000485 0.001339 True native_MD 7 64 356 CG_AB42_7 CB_AB42_42 1 6.924979e-04 1.664287e-06 ; 3.659892e-01 7.203587e-02 5.166358e-03 5.983543e-04 0.000485 0.000060 True native_MD 7 64 357 OD1_AB42_7 OD1_AB42_7 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 65 OD1_AB42_7 OD2_AB42_7 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 66 - OD1_AB42_7 C_AB42_7 1 0.000000e+00 7.001196e-07 ; 2.734803e-01 -7.001196e-07 4.904996e-01 5.363887e-01 0.000485 0.000060 True native_MD 4 65 67 + OD1_AB42_7 C_AB42_7 1 0.000000e+00 7.001165e-07 ; 2.734802e-01 -7.001165e-07 4.904996e-01 5.363887e-01 0.000485 0.000060 True native_MD 4 65 67 OD1_AB42_7 O_AB42_7 1 0.000000e+00 1.708305e-06 ; 2.945838e-01 -1.708305e-06 2.365842e-01 3.754544e-01 0.000485 0.000060 True native_MD 5 65 68 OD1_AB42_7 N_AB42_8 1 0.000000e+00 1.642030e-06 ; 2.936140e-01 -1.642030e-06 2.463886e-01 3.410752e-01 0.000485 0.000060 True native_MD 5 65 69 - OD1_AB42_7 H_AB42_8 1 0.000000e+00 1.248057e-08 ; 1.955155e-01 -1.248057e-08 4.607235e-02 3.973286e-02 0.000485 0.000060 True native_MD 6 65 70 - OD1_AB42_7 CA_AB42_8 1 0.000000e+00 3.555904e-06 ; 3.131416e-01 -3.555904e-06 1.005055e-01 1.581148e-01 0.000485 0.000060 True native_MD 6 65 71 - OD1_AB42_7 CB_AB42_8 1 0.000000e+00 1.619961e-06 ; 2.932831e-01 -1.619961e-06 3.060601e-02 2.344110e-02 0.000485 0.000060 True native_MD 7 65 72 + OD1_AB42_7 H_AB42_8 1 0.000000e+00 1.248077e-08 ; 1.955158e-01 -1.248077e-08 4.607235e-02 3.973286e-02 0.000485 0.000060 True native_MD 6 65 70 + OD1_AB42_7 CA_AB42_8 1 0.000000e+00 3.555933e-06 ; 3.131419e-01 -3.555933e-06 1.005055e-01 1.581148e-01 0.000485 0.000060 True native_MD 6 65 71 + OD1_AB42_7 CB_AB42_8 1 0.000000e+00 1.619956e-06 ; 2.932830e-01 -1.619956e-06 3.060601e-02 2.344110e-02 0.000485 0.000060 True native_MD 7 65 72 OD1_AB42_7 OG_AB42_8 1 1.188433e-04 3.138190e-08 ; 2.532896e-01 1.125150e-01 1.054843e-02 1.319676e-02 0.000485 0.002166 True native_MD 7 65 73 OD1_AB42_7 C_AB42_8 1 7.193384e-04 1.290197e-06 ; 3.485677e-01 1.002653e-01 2.521313e-02 4.550944e-02 0.000485 0.002166 True native_MD 7 65 74 OD1_AB42_7 O_AB42_8 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 75 @@ -17436,22 +17436,22 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD1_AB42_7 O_AB42_9 1 0.000000e+00 1.523557e-06 ; 2.917874e-01 -1.523557e-06 5.291123e-03 2.099595e-02 0.000485 0.000060 True native_MD 7 65 80 OD1_AB42_7 N_AB42_10 1 9.747417e-05 2.732600e-08 ; 2.558278e-01 8.692468e-02 1.360592e-02 3.660936e-02 0.000485 0.002166 True native_MD 7 65 81 OD1_AB42_7 H_AB42_10 1 5.470347e-06 5.722507e-11 ; 1.478865e-01 1.307325e-01 4.841438e-03 8.617640e-03 0.000485 0.005316 True native_MD 7 65 82 - OD1_AB42_7 CA_AB42_10 1 0.000000e+00 3.418854e-06 ; 3.121177e-01 -3.418854e-06 7.805169e-03 2.465263e-02 0.000485 0.001339 True native_MD 7 65 83 - OD1_AB42_7 CB_AB42_10 1 0.000000e+00 1.658716e-06 ; 2.938615e-01 -1.658716e-06 1.144662e-02 2.803354e-02 0.000485 0.000060 True native_MD 7 65 84 - OD1_AB42_7 CG_AB42_10 1 0.000000e+00 6.792837e-07 ; 2.727926e-01 -6.792837e-07 1.680597e-03 1.644351e-02 0.000485 0.003309 True native_MD 7 65 85 + OD1_AB42_7 CA_AB42_10 1 0.000000e+00 3.418882e-06 ; 3.121179e-01 -3.418882e-06 7.805169e-03 2.465263e-02 0.000485 0.001339 True native_MD 7 65 83 + OD1_AB42_7 CB_AB42_10 1 0.000000e+00 1.658710e-06 ; 2.938614e-01 -1.658710e-06 1.144662e-02 2.803354e-02 0.000485 0.000060 True native_MD 7 65 84 + OD1_AB42_7 CG_AB42_10 1 0.000000e+00 6.792807e-07 ; 2.727925e-01 -6.792807e-07 1.680597e-03 1.644351e-02 0.000485 0.003309 True native_MD 7 65 85 OD1_AB42_7 CD1_AB42_10 1 2.091911e-04 1.341463e-07 ; 2.936563e-01 8.155445e-02 4.608409e-03 2.224790e-02 0.000485 0.003309 True native_MD 7 65 86 OD1_AB42_7 CD2_AB42_10 1 2.091911e-04 1.341463e-07 ; 2.936563e-01 8.155445e-02 4.608409e-03 2.224790e-02 0.000485 0.003309 True native_MD 7 65 87 OD1_AB42_7 CE1_AB42_10 1 2.683713e-04 1.899452e-07 ; 2.985259e-01 9.479467e-02 7.369839e-03 2.393962e-02 0.000485 0.003309 True native_MD 7 65 88 OD1_AB42_7 CE2_AB42_10 1 2.683713e-04 1.899452e-07 ; 2.985259e-01 9.479467e-02 7.369839e-03 2.393962e-02 0.000485 0.003309 True native_MD 7 65 89 OD1_AB42_7 CZ_AB42_10 1 2.876430e-04 2.331337e-07 ; 3.053457e-01 8.872432e-02 5.022709e-03 1.956553e-02 0.000485 0.003309 True native_MD 7 65 90 OD1_AB42_7 OH_AB42_10 1 6.209635e-05 9.868116e-09 ; 2.327348e-01 9.768726e-02 7.540688e-03 1.470284e-02 0.000485 0.002166 True native_MD 7 65 91 - OD1_AB42_7 C_AB42_10 1 0.000000e+00 6.727392e-07 ; 2.725726e-01 -6.727392e-07 1.085332e-03 6.071625e-03 0.000485 0.002166 True native_MD 7 65 92 + OD1_AB42_7 C_AB42_10 1 0.000000e+00 6.727362e-07 ; 2.725725e-01 -6.727362e-07 1.085332e-03 6.071625e-03 0.000485 0.002166 True native_MD 7 65 92 OD1_AB42_7 O_AB42_10 1 0.000000e+00 1.525692e-06 ; 2.918215e-01 -1.525692e-06 3.728268e-03 2.085646e-02 0.000485 0.000060 True native_MD 7 65 93 OD1_AB42_7 N_AB42_11 1 1.000070e-04 3.465628e-08 ; 2.650281e-01 7.214706e-02 2.196127e-03 9.195630e-03 0.000485 0.002166 True native_MD 7 65 94 OD1_AB42_7 H_AB42_11 1 4.785826e-06 5.761248e-11 ; 1.513886e-01 9.938875e-02 1.168977e-03 2.386794e-03 0.000485 0.005316 True native_MD 7 65 95 - OD1_AB42_7 CA_AB42_11 1 0.000000e+00 3.387498e-06 ; 3.118781e-01 -3.387498e-06 2.944673e-03 1.046598e-02 0.000485 0.001339 True native_MD 7 65 96 - OD1_AB42_7 CB_AB42_11 1 0.000000e+00 1.640112e-06 ; 2.935854e-01 -1.640112e-06 5.137035e-03 1.032195e-02 0.000485 0.000060 True native_MD 7 65 97 - OD1_AB42_7 CG_AB42_11 1 0.000000e+00 1.642618e-06 ; 2.936228e-01 -1.642618e-06 4.396391e-03 1.111708e-02 0.000485 0.000060 True native_MD 7 65 98 + OD1_AB42_7 CA_AB42_11 1 0.000000e+00 3.387525e-06 ; 3.118783e-01 -3.387525e-06 2.944673e-03 1.046598e-02 0.000485 0.001339 True native_MD 7 65 96 + OD1_AB42_7 CB_AB42_11 1 0.000000e+00 1.640106e-06 ; 2.935853e-01 -1.640106e-06 5.137035e-03 1.032195e-02 0.000485 0.000060 True native_MD 7 65 97 + OD1_AB42_7 CG_AB42_11 1 0.000000e+00 1.642612e-06 ; 2.936227e-01 -1.642612e-06 4.396391e-03 1.111708e-02 0.000485 0.000060 True native_MD 7 65 98 OD1_AB42_7 CD_AB42_11 1 4.618119e-04 6.701395e-07 ; 3.364728e-01 7.956187e-02 2.182243e-03 7.319022e-03 0.000485 0.002166 True native_MD 7 65 99 OD1_AB42_7 OE1_AB42_11 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 100 OD1_AB42_7 OE2_AB42_11 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 101 @@ -17460,16 +17460,16 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD1_AB42_7 N_AB42_12 1 1.197092e-04 4.121852e-08 ; 2.647448e-01 8.691664e-02 1.368745e-03 3.683759e-03 0.000485 0.002166 True native_MD 7 65 104 OD1_AB42_7 H_AB42_12 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 105 OD1_AB42_7 CA_AB42_12 1 5.573746e-04 9.059193e-07 ; 3.428918e-01 8.573236e-02 2.525876e-03 4.353381e-03 0.000485 0.001339 True native_MD 7 65 106 - OD1_AB42_7 CB_AB42_12 1 0.000000e+00 3.369411e-06 ; 3.117390e-01 -3.369411e-06 7.138819e-03 9.280688e-03 0.000485 0.000060 True native_MD 7 65 107 + OD1_AB42_7 CB_AB42_12 1 0.000000e+00 3.369438e-06 ; 3.117392e-01 -3.369438e-06 7.138819e-03 9.280688e-03 0.000485 0.000060 True native_MD 7 65 107 OD1_AB42_7 CG1_AB42_12 1 0.000000e+00 1.219556e-06 ; 2.864256e-01 -1.219556e-06 7.767185e-03 9.484496e-03 0.000485 0.000060 True native_MD 7 65 108 - OD1_AB42_7 CG2_AB42_12 1 0.000000e+00 1.220221e-06 ; 2.864386e-01 -1.220221e-06 7.896164e-03 1.016014e-02 0.000485 0.000060 True native_MD 7 65 109 + OD1_AB42_7 CG2_AB42_12 1 0.000000e+00 1.220222e-06 ; 2.864386e-01 -1.220222e-06 7.896164e-03 1.016014e-02 0.000485 0.000060 True native_MD 7 65 109 OD1_AB42_7 C_AB42_12 1 5.482817e-04 9.807554e-07 ; 3.484118e-01 7.662787e-02 5.915486e-04 9.906744e-04 0.000485 0.002166 True native_MD 7 65 110 OD1_AB42_7 O_AB42_12 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 111 OD1_AB42_7 N_AB42_13 1 9.245382e-05 2.712913e-08 ; 2.577815e-01 7.876875e-02 6.306882e-04 2.152463e-03 0.000485 0.002166 True native_MD 7 65 112 OD1_AB42_7 H_AB42_13 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 113 - OD1_AB42_7 CA_AB42_13 1 0.000000e+00 3.375022e-06 ; 3.117822e-01 -3.375022e-06 1.065677e-03 4.876360e-03 0.000485 0.001339 True native_MD 7 65 114 - OD1_AB42_7 CB_AB42_13 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 115 - OD1_AB42_7 ND1_AB42_13 1 0.000000e+00 5.121152e-07 ; 2.664459e-01 -5.121152e-07 9.353044e-04 5.749464e-03 0.000485 0.002166 True native_MD 7 65 117 + OD1_AB42_7 CA_AB42_13 1 0.000000e+00 3.375049e-06 ; 3.117825e-01 -3.375049e-06 1.065677e-03 4.876360e-03 0.000485 0.001339 True native_MD 7 65 114 + OD1_AB42_7 CB_AB42_13 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 115 + OD1_AB42_7 ND1_AB42_13 1 0.000000e+00 5.121126e-07 ; 2.664457e-01 -5.121126e-07 9.353044e-04 5.749464e-03 0.000485 0.002166 True native_MD 7 65 117 OD1_AB42_7 CD2_AB42_13 1 3.915334e-04 3.770771e-07 ; 3.142512e-01 1.016360e-01 2.989288e-03 7.912484e-03 0.000485 0.003309 True native_MD 7 65 118 OD1_AB42_7 CE1_AB42_13 1 2.073482e-04 1.005783e-07 ; 2.803070e-01 1.068652e-01 4.641012e-03 1.050498e-02 0.000485 0.003309 True native_MD 7 65 119 OD1_AB42_7 NE2_AB42_13 1 9.113078e-05 2.101316e-08 ; 2.476306e-01 9.880497e-02 5.314976e-03 1.002221e-02 0.000485 0.002166 True native_MD 7 65 120 @@ -17477,7 +17477,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD1_AB42_7 N_AB42_14 1 9.884269e-05 2.430462e-08 ; 2.502980e-01 1.004941e-01 1.208290e-03 1.938203e-03 0.000485 0.002166 True native_MD 7 65 123 OD1_AB42_7 H_AB42_14 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 124 OD1_AB42_7 CA_AB42_14 1 3.390518e-04 2.590824e-07 ; 3.023630e-01 1.109262e-01 3.543519e-03 2.873515e-03 0.000485 0.001339 True native_MD 7 65 125 - OD1_AB42_7 CB_AB42_14 1 0.000000e+00 1.631177e-06 ; 2.934518e-01 -1.631177e-06 3.693577e-03 3.402176e-03 0.000485 0.000060 True native_MD 7 65 126 + OD1_AB42_7 CB_AB42_14 1 0.000000e+00 1.631171e-06 ; 2.934517e-01 -1.631171e-06 3.693577e-03 3.402176e-03 0.000485 0.000060 True native_MD 7 65 126 OD1_AB42_7 CG_AB42_14 1 4.665436e-04 5.092308e-07 ; 3.208759e-01 1.068587e-01 1.925536e-03 2.853212e-03 0.000485 0.002166 True native_MD 7 65 127 OD1_AB42_7 ND1_AB42_14 1 5.362077e-04 9.749668e-07 ; 3.493624e-01 7.372526e-02 9.994261e-04 3.991769e-03 0.000485 0.002166 True native_MD 7 65 128 OD1_AB42_7 CD2_AB42_14 1 2.970058e-04 1.707995e-07 ; 2.883723e-01 1.291170e-01 4.660457e-03 5.420159e-03 0.000485 0.003309 True native_MD 7 65 129 @@ -17488,8 +17488,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD1_AB42_7 N_AB42_15 1 1.391225e-04 3.843152e-08 ; 2.552006e-01 1.259062e-01 2.584902e-03 7.873456e-04 0.000485 0.002166 True native_MD 7 65 134 OD1_AB42_7 H_AB42_15 1 4.733383e-06 5.784772e-11 ; 1.517699e-01 9.682713e-02 1.082713e-03 1.004000e-04 0.000485 0.005316 True native_MD 7 65 135 OD1_AB42_7 CA_AB42_15 1 5.388182e-04 5.540811e-07 ; 3.177034e-01 1.309939e-01 3.010009e-03 9.682636e-04 0.000485 0.001339 True native_MD 7 65 136 - OD1_AB42_7 CB_AB42_15 1 0.000000e+00 1.627982e-06 ; 2.934038e-01 -1.627982e-06 3.157614e-03 9.084769e-04 0.000485 0.000060 True native_MD 7 65 137 - OD1_AB42_7 CG_AB42_15 1 0.000000e+00 1.628547e-06 ; 2.934123e-01 -1.628547e-06 3.317420e-03 1.414544e-03 0.000485 0.000060 True native_MD 7 65 138 + OD1_AB42_7 CB_AB42_15 1 0.000000e+00 1.627977e-06 ; 2.934038e-01 -1.627977e-06 3.157614e-03 9.084769e-04 0.000485 0.000060 True native_MD 7 65 137 + OD1_AB42_7 CG_AB42_15 1 0.000000e+00 1.628542e-06 ; 2.934122e-01 -1.628542e-06 3.317420e-03 1.414544e-03 0.000485 0.000060 True native_MD 7 65 138 OD1_AB42_7 CD_AB42_15 1 7.410903e-04 9.887058e-07 ; 3.317921e-01 1.388721e-01 3.810294e-03 1.636290e-03 0.000485 0.002166 True native_MD 7 65 139 OD1_AB42_7 OE1_AB42_15 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 140 OD1_AB42_7 NE2_AB42_15 1 1.654840e-04 4.434368e-08 ; 2.539097e-01 1.543904e-01 7.097327e-03 2.535926e-03 0.000485 0.002166 True native_MD 7 65 141 @@ -17498,7 +17498,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD1_AB42_7 N_AB42_16 1 1.291835e-04 3.489213e-08 ; 2.542456e-01 1.195713e-01 2.138510e-03 2.848802e-04 0.000485 0.002166 True native_MD 7 65 144 OD1_AB42_7 H_AB42_16 1 4.429764e-06 5.260161e-11 ; 1.510439e-01 9.326145e-02 9.731312e-04 7.911501e-05 0.000485 0.005316 True native_MD 7 65 145 OD1_AB42_7 CA_AB42_16 1 5.657356e-04 5.966086e-07 ; 3.190406e-01 1.341151e-01 3.304701e-03 4.288251e-04 0.000485 0.001339 True native_MD 7 65 146 - OD1_AB42_7 CB_AB42_16 1 0.000000e+00 1.626433e-06 ; 2.933806e-01 -1.626433e-06 4.021158e-03 8.223644e-04 0.000485 0.000060 True native_MD 7 65 147 + OD1_AB42_7 CB_AB42_16 1 0.000000e+00 1.626427e-06 ; 2.933805e-01 -1.626427e-06 4.021158e-03 8.223644e-04 0.000485 0.000060 True native_MD 7 65 147 OD1_AB42_7 CG_AB42_16 1 2.440139e-04 2.053554e-07 ; 3.072665e-01 7.248752e-02 8.973317e-03 1.025314e-03 0.000485 0.000060 True native_MD 7 65 148 OD1_AB42_7 CD_AB42_16 1 2.701717e-04 2.384574e-07 ; 3.097147e-01 7.652598e-02 1.666314e-02 1.687230e-03 0.000485 0.000060 True native_MD 7 65 149 OD1_AB42_7 CE_AB42_16 1 2.282841e-04 1.642174e-07 ; 2.993348e-01 7.933632e-02 2.521064e-02 2.346801e-03 0.000485 0.000060 True native_MD 7 65 150 @@ -17508,19 +17508,19 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD1_AB42_7 N_AB42_17 1 1.240599e-04 3.343928e-08 ; 2.541583e-01 1.150658e-01 1.868766e-03 3.898853e-04 0.000485 0.002166 True native_MD 7 65 154 OD1_AB42_7 H_AB42_17 1 5.459627e-06 7.689885e-11 ; 1.554030e-01 9.690499e-02 1.085239e-03 4.992920e-05 0.000485 0.005316 True native_MD 7 65 155 OD1_AB42_7 CA_AB42_17 1 6.046618e-04 8.569602e-07 ; 3.351516e-01 1.066607e-01 1.453172e-03 5.207065e-04 0.000485 0.001339 True native_MD 7 65 156 - OD1_AB42_7 CB_AB42_17 1 0.000000e+00 1.629645e-06 ; 2.934288e-01 -1.629645e-06 1.750350e-03 5.204792e-04 0.000485 0.000060 True native_MD 7 65 157 - OD1_AB42_7 CG_AB42_17 1 0.000000e+00 3.360266e-06 ; 3.116684e-01 -3.360266e-06 2.034177e-03 1.456225e-03 0.000485 0.000060 True native_MD 7 65 158 + OD1_AB42_7 CB_AB42_17 1 0.000000e+00 1.629640e-06 ; 2.934287e-01 -1.629640e-06 1.750350e-03 5.204792e-04 0.000485 0.000060 True native_MD 7 65 157 + OD1_AB42_7 CG_AB42_17 1 0.000000e+00 3.360293e-06 ; 3.116686e-01 -3.360293e-06 2.034177e-03 1.456225e-03 0.000485 0.000060 True native_MD 7 65 158 OD1_AB42_7 CD1_AB42_17 1 0.000000e+00 1.216950e-06 ; 2.863745e-01 -1.216950e-06 1.587138e-03 1.164162e-03 0.000485 0.000060 True native_MD 7 65 159 OD1_AB42_7 CD2_AB42_17 1 0.000000e+00 1.217355e-06 ; 2.863825e-01 -1.217355e-06 1.676971e-03 1.586528e-03 0.000485 0.000060 True native_MD 7 65 160 OD1_AB42_7 O_AB42_17 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 162 OD1_AB42_7 H_AB42_18 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 164 OD1_AB42_7 CA_AB42_18 1 8.695171e-04 2.458652e-06 ; 3.760421e-01 7.687750e-02 5.959842e-04 5.926931e-04 0.000485 0.001339 True native_MD 7 65 165 - OD1_AB42_7 CB_AB42_18 1 0.000000e+00 3.360533e-06 ; 3.116705e-01 -3.360533e-06 1.619523e-03 1.121052e-03 0.000485 0.000060 True native_MD 7 65 166 + OD1_AB42_7 CB_AB42_18 1 0.000000e+00 3.360561e-06 ; 3.116707e-01 -3.360561e-06 1.619523e-03 1.121052e-03 0.000485 0.000060 True native_MD 7 65 166 OD1_AB42_7 CG1_AB42_18 1 0.000000e+00 1.217044e-06 ; 2.863764e-01 -1.217044e-06 1.347626e-03 1.001663e-03 0.000485 0.000060 True native_MD 7 65 167 - OD1_AB42_7 CG2_AB42_18 1 0.000000e+00 1.216789e-06 ; 2.863714e-01 -1.216789e-06 1.431900e-03 8.768453e-04 0.000485 0.000060 True native_MD 7 65 168 + OD1_AB42_7 CG2_AB42_18 1 0.000000e+00 1.216790e-06 ; 2.863714e-01 -1.216790e-06 1.431900e-03 8.768453e-04 0.000485 0.000060 True native_MD 7 65 168 OD1_AB42_7 O_AB42_18 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 170 OD1_AB42_7 H_AB42_19 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 172 - OD1_AB42_7 CB_AB42_19 1 0.000000e+00 1.632489e-06 ; 2.934714e-01 -1.632489e-06 7.359513e-04 1.248761e-03 0.000485 0.000060 True native_MD 7 65 174 + OD1_AB42_7 CB_AB42_19 1 0.000000e+00 1.632483e-06 ; 2.934714e-01 -1.632483e-06 7.359513e-04 1.248761e-03 0.000485 0.000060 True native_MD 7 65 174 OD1_AB42_7 CD1_AB42_19 1 2.783894e-04 2.277153e-07 ; 3.058135e-01 8.508503e-02 7.619127e-04 1.355789e-03 0.000485 0.003309 True native_MD 7 65 176 OD1_AB42_7 CD2_AB42_19 1 2.783894e-04 2.277153e-07 ; 3.058135e-01 8.508503e-02 7.619127e-04 1.355789e-03 0.000485 0.003309 True native_MD 7 65 177 OD1_AB42_7 CE1_AB42_19 1 3.646494e-04 3.238385e-07 ; 3.100336e-01 1.026509e-01 1.288850e-03 1.846362e-03 0.000485 0.003309 True native_MD 7 65 178 @@ -17529,7 +17529,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD1_AB42_7 O_AB42_19 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 182 OD1_AB42_7 H_AB42_20 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 184 OD1_AB42_7 CA_AB42_20 1 4.086855e-04 5.674056e-07 ; 3.340033e-01 7.359103e-02 5.401590e-04 9.582388e-04 0.000485 0.001339 True native_MD 7 65 185 - OD1_AB42_7 CB_AB42_20 1 0.000000e+00 1.631335e-06 ; 2.934542e-01 -1.631335e-06 7.708008e-04 5.763539e-04 0.000485 0.000060 True native_MD 7 65 186 + OD1_AB42_7 CB_AB42_20 1 0.000000e+00 1.631329e-06 ; 2.934541e-01 -1.631329e-06 7.708008e-04 5.763539e-04 0.000485 0.000060 True native_MD 7 65 186 OD1_AB42_7 CD1_AB42_20 1 3.938111e-04 4.665752e-07 ; 3.252912e-01 8.309871e-02 7.179425e-04 9.235395e-04 0.000485 0.003309 True native_MD 7 65 188 OD1_AB42_7 CD2_AB42_20 1 3.938111e-04 4.665752e-07 ; 3.252912e-01 8.309871e-02 7.179425e-04 9.235395e-04 0.000485 0.003309 True native_MD 7 65 189 OD1_AB42_7 CE1_AB42_20 1 3.046636e-04 2.371977e-07 ; 3.033065e-01 9.782964e-02 1.115688e-03 2.035628e-03 0.000485 0.003309 True native_MD 7 65 190 @@ -17541,21 +17541,21 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD1_AB42_7 CB_AB42_21 1 0.000000e+00 1.217247e-06 ; 2.863804e-01 -1.217247e-06 1.069874e-03 8.905503e-04 0.000485 0.000060 True native_MD 7 65 198 OD1_AB42_7 O_AB42_21 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 200 OD1_AB42_7 H_AB42_22 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 202 - OD1_AB42_7 CB_AB42_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 204 - OD1_AB42_7 CG_AB42_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 205 + OD1_AB42_7 CB_AB42_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 204 + OD1_AB42_7 CG_AB42_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 205 OD1_AB42_7 OE1_AB42_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 207 OD1_AB42_7 OE2_AB42_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 208 OD1_AB42_7 O_AB42_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 210 OD1_AB42_7 H_AB42_23 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 212 - OD1_AB42_7 CB_AB42_23 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 214 + OD1_AB42_7 CB_AB42_23 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 214 OD1_AB42_7 OD1_AB42_23 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 216 OD1_AB42_7 OD2_AB42_23 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 217 OD1_AB42_7 O_AB42_23 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 219 OD1_AB42_7 H_AB42_24 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 221 OD1_AB42_7 CA_AB42_24 1 5.031209e-04 6.026454e-07 ; 3.258854e-01 1.050081e-01 1.383054e-03 3.751885e-04 0.000485 0.001339 True native_MD 7 65 222 - OD1_AB42_7 CB_AB42_24 1 0.000000e+00 3.355034e-06 ; 3.116280e-01 -3.355034e-06 2.657988e-03 5.239337e-04 0.000485 0.000060 True native_MD 7 65 223 + OD1_AB42_7 CB_AB42_24 1 0.000000e+00 3.355061e-06 ; 3.116282e-01 -3.355061e-06 2.657988e-03 5.239337e-04 0.000485 0.000060 True native_MD 7 65 223 OD1_AB42_7 CG1_AB42_24 1 0.000000e+00 1.215623e-06 ; 2.863485e-01 -1.215623e-06 2.235657e-03 7.223877e-04 0.000485 0.000060 True native_MD 7 65 224 - OD1_AB42_7 CG2_AB42_24 1 0.000000e+00 1.215778e-06 ; 2.863515e-01 -1.215778e-06 1.869391e-03 4.839698e-04 0.000485 0.000060 True native_MD 7 65 225 + OD1_AB42_7 CG2_AB42_24 1 0.000000e+00 1.215779e-06 ; 2.863516e-01 -1.215779e-06 1.869391e-03 4.839698e-04 0.000485 0.000060 True native_MD 7 65 225 OD1_AB42_7 C_AB42_24 1 3.456868e-04 3.657746e-07 ; 3.192188e-01 8.167552e-02 6.880072e-04 1.002201e-04 0.000485 0.002166 True native_MD 7 65 226 OD1_AB42_7 O_AB42_24 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 227 OD1_AB42_7 N_AB42_25 1 1.150713e-04 2.658731e-08 ; 2.477144e-01 1.245087e-01 2.479026e-03 4.057861e-04 0.000485 0.002166 True native_MD 7 65 228 @@ -17566,13 +17566,13 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD1_AB42_7 N_AB42_26 1 1.269453e-04 3.622094e-08 ; 2.565806e-01 1.112279e-01 1.666000e-03 1.776509e-04 0.000485 0.002166 True native_MD 7 65 233 OD1_AB42_7 H_AB42_26 1 4.697215e-06 6.098288e-11 ; 1.533067e-01 9.045090e-02 8.946304e-04 0.000000e+00 0.000485 0.005316 True native_MD 7 65 234 OD1_AB42_7 CA_AB42_26 1 6.642288e-04 9.367969e-07 ; 3.348790e-01 1.177416e-01 2.024567e-03 4.698990e-04 0.000485 0.001339 True native_MD 7 65 235 - OD1_AB42_7 CB_AB42_26 1 0.000000e+00 1.630047e-06 ; 2.934348e-01 -1.630047e-06 1.853250e-03 8.696710e-04 0.000485 0.000060 True native_MD 7 65 236 + OD1_AB42_7 CB_AB42_26 1 0.000000e+00 1.630042e-06 ; 2.934348e-01 -1.630042e-06 1.853250e-03 8.696710e-04 0.000485 0.000060 True native_MD 7 65 236 OD1_AB42_7 OG_AB42_26 1 8.135610e-05 1.694515e-08 ; 2.434684e-01 9.765060e-02 1.109726e-03 7.495259e-04 0.000485 0.002166 True native_MD 7 65 237 OD1_AB42_7 O_AB42_26 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 239 OD1_AB42_7 N_AB42_27 1 8.005284e-05 2.082011e-08 ; 2.526491e-01 7.695032e-02 5.972844e-04 4.997902e-05 0.000485 0.002166 True native_MD 7 65 240 OD1_AB42_7 H_AB42_27 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 241 OD1_AB42_7 CA_AB42_27 1 4.874444e-04 6.687872e-07 ; 3.333449e-01 8.881824e-02 8.519706e-04 1.949980e-04 0.000485 0.001339 True native_MD 7 65 242 - OD1_AB42_7 CB_AB42_27 1 0.000000e+00 1.629847e-06 ; 2.934318e-01 -1.629847e-06 1.278479e-03 1.719277e-04 0.000485 0.000060 True native_MD 7 65 243 + OD1_AB42_7 CB_AB42_27 1 0.000000e+00 1.629841e-06 ; 2.934317e-01 -1.629841e-06 1.278479e-03 1.719277e-04 0.000485 0.000060 True native_MD 7 65 243 OD1_AB42_7 CG_AB42_27 1 6.120698e-04 9.229949e-07 ; 3.386359e-01 1.014712e-01 1.244143e-03 2.240068e-04 0.000485 0.002166 True native_MD 7 65 244 OD1_AB42_7 OD1_AB42_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 245 OD1_AB42_7 ND2_AB42_27 1 1.007165e-04 2.449475e-08 ; 2.498401e-01 1.035304e-01 1.323225e-03 5.283703e-04 0.000485 0.002166 True native_MD 7 65 246 @@ -17597,14 +17597,14 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD1_AB42_7 O_AB42_30 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 269 OD1_AB42_7 N_AB42_31 1 4.946553e-04 8.737024e-07 ; 3.476777e-01 7.001350e-02 4.853172e-04 1.000103e-04 0.000485 0.002166 True native_MD 7 65 270 OD1_AB42_7 H_AB42_31 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 271 - OD1_AB42_7 CB_AB42_31 1 0.000000e+00 3.359400e-06 ; 3.116617e-01 -3.359400e-06 9.798919e-04 1.442683e-04 0.000485 0.000060 True native_MD 7 65 273 - OD1_AB42_7 CG1_AB42_31 1 0.000000e+00 1.630068e-06 ; 2.934351e-01 -1.630068e-06 1.130823e-03 1.596898e-04 0.000485 0.000060 True native_MD 7 65 274 + OD1_AB42_7 CB_AB42_31 1 0.000000e+00 3.359427e-06 ; 3.116619e-01 -3.359427e-06 9.798919e-04 1.442683e-04 0.000485 0.000060 True native_MD 7 65 273 + OD1_AB42_7 CG1_AB42_31 1 0.000000e+00 1.630062e-06 ; 2.934351e-01 -1.630062e-06 1.130823e-03 1.596898e-04 0.000485 0.000060 True native_MD 7 65 274 OD1_AB42_7 CG2_AB42_31 1 0.000000e+00 1.216662e-06 ; 2.863689e-01 -1.216662e-06 8.844882e-04 2.247270e-04 0.000485 0.000060 True native_MD 7 65 275 - OD1_AB42_7 CD_AB42_31 1 0.000000e+00 1.215436e-06 ; 2.863448e-01 -1.215436e-06 2.015503e-03 3.492287e-04 0.000485 0.000060 True native_MD 7 65 276 + OD1_AB42_7 CD_AB42_31 1 0.000000e+00 1.215437e-06 ; 2.863448e-01 -1.215437e-06 2.015503e-03 3.492287e-04 0.000485 0.000060 True native_MD 7 65 276 OD1_AB42_7 O_AB42_31 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 278 OD1_AB42_7 H_AB42_32 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 280 OD1_AB42_7 CA_AB42_32 1 3.774532e-04 4.680626e-07 ; 3.277732e-01 7.609608e-02 5.822090e-04 1.542096e-04 0.000485 0.001339 True native_MD 7 65 281 - OD1_AB42_7 CB_AB42_32 1 0.000000e+00 3.359253e-06 ; 3.116606e-01 -3.359253e-06 1.081626e-03 2.023633e-04 0.000485 0.000060 True native_MD 7 65 282 + OD1_AB42_7 CB_AB42_32 1 0.000000e+00 3.359280e-06 ; 3.116608e-01 -3.359280e-06 1.081626e-03 2.023633e-04 0.000485 0.000060 True native_MD 7 65 282 OD1_AB42_7 CG1_AB42_32 1 5.266639e-04 6.634484e-07 ; 3.286338e-01 1.045201e-01 1.363003e-03 5.299862e-05 0.000485 0.000060 True native_MD 7 65 283 OD1_AB42_7 CG2_AB42_32 1 0.000000e+00 1.216111e-06 ; 2.863581e-01 -1.216111e-06 1.413423e-03 3.010947e-04 0.000485 0.000060 True native_MD 7 65 284 OD1_AB42_7 CD_AB42_32 1 0.000000e+00 1.215347e-06 ; 2.863431e-01 -1.215347e-06 2.009087e-03 2.691730e-04 0.000485 0.000060 True native_MD 7 65 285 @@ -17635,9 +17635,9 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD1_AB42_7 N_AB42_36 1 1.468903e-04 4.664209e-08 ; 2.611946e-01 1.156507e-01 1.901764e-03 1.000197e-04 0.000485 0.002166 True native_MD 7 65 311 OD1_AB42_7 H_AB42_36 1 4.074421e-06 5.647641e-11 ; 1.549888e-01 7.348602e-02 5.384641e-04 0.000000e+00 0.000485 0.005316 True native_MD 7 65 312 OD1_AB42_7 CA_AB42_36 1 5.165433e-04 5.273350e-07 ; 3.173194e-01 1.264931e-01 2.630706e-03 1.487372e-04 0.000485 0.001339 True native_MD 7 65 313 - OD1_AB42_7 CB_AB42_36 1 0.000000e+00 3.353410e-06 ; 3.116154e-01 -3.353410e-06 3.197928e-03 5.807915e-04 0.000485 0.000060 True native_MD 7 65 314 + OD1_AB42_7 CB_AB42_36 1 0.000000e+00 3.353437e-06 ; 3.116156e-01 -3.353437e-06 3.197928e-03 5.807915e-04 0.000485 0.000060 True native_MD 7 65 314 OD1_AB42_7 CG1_AB42_36 1 0.000000e+00 1.214789e-06 ; 2.863321e-01 -1.214789e-06 2.856107e-03 6.580224e-04 0.000485 0.000060 True native_MD 7 65 315 - OD1_AB42_7 CG2_AB42_36 1 0.000000e+00 1.214314e-06 ; 2.863228e-01 -1.214314e-06 2.976775e-03 3.889181e-04 0.000485 0.000060 True native_MD 7 65 316 + OD1_AB42_7 CG2_AB42_36 1 0.000000e+00 1.214315e-06 ; 2.863228e-01 -1.214315e-06 2.976775e-03 3.889181e-04 0.000485 0.000060 True native_MD 7 65 316 OD1_AB42_7 C_AB42_36 1 4.945909e-04 5.614096e-07 ; 3.229775e-01 1.089312e-01 1.555344e-03 1.159020e-05 0.000485 0.002166 True native_MD 7 65 317 OD1_AB42_7 O_AB42_36 1 7.393938e-04 1.424540e-06 ; 3.527496e-01 9.594379e-02 1.746026e-03 9.887837e-05 0.000485 0.000060 True native_MD 7 65 318 OD1_AB42_7 N_AB42_37 1 1.329264e-04 3.083821e-08 ; 2.478828e-01 1.432429e-01 4.342741e-03 2.345685e-04 0.000485 0.002166 True native_MD 7 65 319 @@ -17666,7 +17666,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD1_AB42_7 O_AB42_40 1 4.816209e-04 8.009299e-07 ; 3.442032e-01 7.240292e-02 1.744588e-03 1.998464e-04 0.000485 0.000060 True native_MD 7 65 344 OD1_AB42_7 H_AB42_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 346 OD1_AB42_7 CA_AB42_41 1 3.967280e-04 5.318816e-07 ; 3.320629e-01 7.397939e-02 5.464734e-04 5.003434e-05 0.000485 0.001339 True native_MD 7 65 347 - OD1_AB42_7 CB_AB42_41 1 0.000000e+00 3.358842e-06 ; 3.116574e-01 -3.358842e-06 1.171001e-03 1.693380e-04 0.000485 0.000060 True native_MD 7 65 348 + OD1_AB42_7 CB_AB42_41 1 0.000000e+00 3.358869e-06 ; 3.116576e-01 -3.358869e-06 1.171001e-03 1.693380e-04 0.000485 0.000060 True native_MD 7 65 348 OD1_AB42_7 CG1_AB42_41 1 4.860449e-04 7.967329e-07 ; 3.433782e-01 7.412763e-02 1.107665e-03 1.205026e-04 0.000485 0.000060 True native_MD 7 65 349 OD1_AB42_7 CG2_AB42_41 1 6.012526e-04 1.065024e-06 ; 3.478434e-01 8.485833e-02 1.706358e-03 1.346464e-04 0.000485 0.000060 True native_MD 7 65 350 OD1_AB42_7 CD_AB42_41 1 4.426791e-04 6.727673e-07 ; 3.390752e-01 7.282041e-02 2.253824e-03 2.549749e-04 0.000485 0.000060 True native_MD 7 65 351 @@ -17678,12 +17678,12 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD1_AB42_7 O1_AB42_42 1 6.055504e-04 1.283075e-06 ; 3.583854e-01 7.144775e-02 2.120019e-03 2.498948e-04 0.000485 0.000060 True native_MD 7 65 359 OD1_AB42_7 O2_AB42_42 1 6.055504e-04 1.283075e-06 ; 3.583854e-01 7.144775e-02 2.120019e-03 2.498948e-04 0.000485 0.000060 True native_MD 7 65 360 OD2_AB42_7 OD2_AB42_7 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 66 66 - OD2_AB42_7 C_AB42_7 1 0.000000e+00 7.001196e-07 ; 2.734803e-01 -7.001196e-07 4.904996e-01 5.363887e-01 0.000485 0.000060 True native_MD 4 66 67 + OD2_AB42_7 C_AB42_7 1 0.000000e+00 7.001165e-07 ; 2.734802e-01 -7.001165e-07 4.904996e-01 5.363887e-01 0.000485 0.000060 True native_MD 4 66 67 OD2_AB42_7 O_AB42_7 1 0.000000e+00 1.708305e-06 ; 2.945838e-01 -1.708305e-06 2.365842e-01 3.754544e-01 0.000485 0.000060 True native_MD 5 66 68 OD2_AB42_7 N_AB42_8 1 0.000000e+00 1.642030e-06 ; 2.936140e-01 -1.642030e-06 2.463886e-01 3.410752e-01 0.000485 0.000060 True native_MD 5 66 69 - OD2_AB42_7 H_AB42_8 1 0.000000e+00 1.248057e-08 ; 1.955155e-01 -1.248057e-08 4.607235e-02 3.973286e-02 0.000485 0.000060 True native_MD 6 66 70 - OD2_AB42_7 CA_AB42_8 1 0.000000e+00 3.555904e-06 ; 3.131416e-01 -3.555904e-06 1.005055e-01 1.581148e-01 0.000485 0.000060 True native_MD 6 66 71 - OD2_AB42_7 CB_AB42_8 1 0.000000e+00 1.619961e-06 ; 2.932831e-01 -1.619961e-06 3.060601e-02 2.344110e-02 0.000485 0.000060 True native_MD 7 66 72 + OD2_AB42_7 H_AB42_8 1 0.000000e+00 1.248077e-08 ; 1.955158e-01 -1.248077e-08 4.607235e-02 3.973286e-02 0.000485 0.000060 True native_MD 6 66 70 + OD2_AB42_7 CA_AB42_8 1 0.000000e+00 3.555933e-06 ; 3.131419e-01 -3.555933e-06 1.005055e-01 1.581148e-01 0.000485 0.000060 True native_MD 6 66 71 + OD2_AB42_7 CB_AB42_8 1 0.000000e+00 1.619956e-06 ; 2.932830e-01 -1.619956e-06 3.060601e-02 2.344110e-02 0.000485 0.000060 True native_MD 7 66 72 OD2_AB42_7 OG_AB42_8 1 1.188433e-04 3.138190e-08 ; 2.532896e-01 1.125150e-01 1.054843e-02 1.319676e-02 0.000485 0.002166 True native_MD 7 66 73 OD2_AB42_7 C_AB42_8 1 7.193384e-04 1.290197e-06 ; 3.485677e-01 1.002653e-01 2.521313e-02 4.550944e-02 0.000485 0.002166 True native_MD 7 66 74 OD2_AB42_7 O_AB42_8 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 66 75 @@ -17694,22 +17694,22 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD2_AB42_7 O_AB42_9 1 0.000000e+00 1.523557e-06 ; 2.917874e-01 -1.523557e-06 5.291123e-03 2.099595e-02 0.000485 0.000060 True native_MD 7 66 80 OD2_AB42_7 N_AB42_10 1 9.747417e-05 2.732600e-08 ; 2.558278e-01 8.692468e-02 1.360592e-02 3.660936e-02 0.000485 0.002166 True native_MD 7 66 81 OD2_AB42_7 H_AB42_10 1 5.470347e-06 5.722507e-11 ; 1.478865e-01 1.307325e-01 4.841438e-03 8.617640e-03 0.000485 0.005316 True native_MD 7 66 82 - OD2_AB42_7 CA_AB42_10 1 0.000000e+00 3.418854e-06 ; 3.121177e-01 -3.418854e-06 7.805169e-03 2.465263e-02 0.000485 0.001339 True native_MD 7 66 83 - OD2_AB42_7 CB_AB42_10 1 0.000000e+00 1.658716e-06 ; 2.938615e-01 -1.658716e-06 1.144662e-02 2.803354e-02 0.000485 0.000060 True native_MD 7 66 84 - OD2_AB42_7 CG_AB42_10 1 0.000000e+00 6.792837e-07 ; 2.727926e-01 -6.792837e-07 1.680597e-03 1.644351e-02 0.000485 0.003309 True native_MD 7 66 85 + OD2_AB42_7 CA_AB42_10 1 0.000000e+00 3.418882e-06 ; 3.121179e-01 -3.418882e-06 7.805169e-03 2.465263e-02 0.000485 0.001339 True native_MD 7 66 83 + OD2_AB42_7 CB_AB42_10 1 0.000000e+00 1.658710e-06 ; 2.938614e-01 -1.658710e-06 1.144662e-02 2.803354e-02 0.000485 0.000060 True native_MD 7 66 84 + OD2_AB42_7 CG_AB42_10 1 0.000000e+00 6.792807e-07 ; 2.727925e-01 -6.792807e-07 1.680597e-03 1.644351e-02 0.000485 0.003309 True native_MD 7 66 85 OD2_AB42_7 CD1_AB42_10 1 2.091911e-04 1.341463e-07 ; 2.936563e-01 8.155445e-02 4.608409e-03 2.224790e-02 0.000485 0.003309 True native_MD 7 66 86 OD2_AB42_7 CD2_AB42_10 1 2.091911e-04 1.341463e-07 ; 2.936563e-01 8.155445e-02 4.608409e-03 2.224790e-02 0.000485 0.003309 True native_MD 7 66 87 OD2_AB42_7 CE1_AB42_10 1 2.683713e-04 1.899452e-07 ; 2.985259e-01 9.479467e-02 7.369839e-03 2.393962e-02 0.000485 0.003309 True native_MD 7 66 88 OD2_AB42_7 CE2_AB42_10 1 2.683713e-04 1.899452e-07 ; 2.985259e-01 9.479467e-02 7.369839e-03 2.393962e-02 0.000485 0.003309 True native_MD 7 66 89 OD2_AB42_7 CZ_AB42_10 1 2.876430e-04 2.331337e-07 ; 3.053457e-01 8.872432e-02 5.022709e-03 1.956553e-02 0.000485 0.003309 True native_MD 7 66 90 OD2_AB42_7 OH_AB42_10 1 6.209635e-05 9.868116e-09 ; 2.327348e-01 9.768726e-02 7.540688e-03 1.470284e-02 0.000485 0.002166 True native_MD 7 66 91 - OD2_AB42_7 C_AB42_10 1 0.000000e+00 6.727392e-07 ; 2.725726e-01 -6.727392e-07 1.085332e-03 6.071625e-03 0.000485 0.002166 True native_MD 7 66 92 + OD2_AB42_7 C_AB42_10 1 0.000000e+00 6.727362e-07 ; 2.725725e-01 -6.727362e-07 1.085332e-03 6.071625e-03 0.000485 0.002166 True native_MD 7 66 92 OD2_AB42_7 O_AB42_10 1 0.000000e+00 1.525692e-06 ; 2.918215e-01 -1.525692e-06 3.728268e-03 2.085646e-02 0.000485 0.000060 True native_MD 7 66 93 OD2_AB42_7 N_AB42_11 1 1.000070e-04 3.465628e-08 ; 2.650281e-01 7.214706e-02 2.196127e-03 9.195630e-03 0.000485 0.002166 True native_MD 7 66 94 OD2_AB42_7 H_AB42_11 1 4.785826e-06 5.761248e-11 ; 1.513886e-01 9.938875e-02 1.168977e-03 2.386794e-03 0.000485 0.005316 True native_MD 7 66 95 - OD2_AB42_7 CA_AB42_11 1 0.000000e+00 3.387498e-06 ; 3.118781e-01 -3.387498e-06 2.944673e-03 1.046598e-02 0.000485 0.001339 True native_MD 7 66 96 - OD2_AB42_7 CB_AB42_11 1 0.000000e+00 1.640112e-06 ; 2.935854e-01 -1.640112e-06 5.137035e-03 1.032195e-02 0.000485 0.000060 True native_MD 7 66 97 - OD2_AB42_7 CG_AB42_11 1 0.000000e+00 1.642618e-06 ; 2.936228e-01 -1.642618e-06 4.396391e-03 1.111708e-02 0.000485 0.000060 True native_MD 7 66 98 + OD2_AB42_7 CA_AB42_11 1 0.000000e+00 3.387525e-06 ; 3.118783e-01 -3.387525e-06 2.944673e-03 1.046598e-02 0.000485 0.001339 True native_MD 7 66 96 + OD2_AB42_7 CB_AB42_11 1 0.000000e+00 1.640106e-06 ; 2.935853e-01 -1.640106e-06 5.137035e-03 1.032195e-02 0.000485 0.000060 True native_MD 7 66 97 + OD2_AB42_7 CG_AB42_11 1 0.000000e+00 1.642612e-06 ; 2.936227e-01 -1.642612e-06 4.396391e-03 1.111708e-02 0.000485 0.000060 True native_MD 7 66 98 OD2_AB42_7 CD_AB42_11 1 4.618119e-04 6.701395e-07 ; 3.364728e-01 7.956187e-02 2.182243e-03 7.319022e-03 0.000485 0.002166 True native_MD 7 66 99 OD2_AB42_7 OE1_AB42_11 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 66 100 OD2_AB42_7 OE2_AB42_11 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 66 101 @@ -17718,16 +17718,16 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD2_AB42_7 N_AB42_12 1 1.197092e-04 4.121852e-08 ; 2.647448e-01 8.691664e-02 1.368745e-03 3.683759e-03 0.000485 0.002166 True native_MD 7 66 104 OD2_AB42_7 H_AB42_12 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 66 105 OD2_AB42_7 CA_AB42_12 1 5.573746e-04 9.059193e-07 ; 3.428918e-01 8.573236e-02 2.525876e-03 4.353381e-03 0.000485 0.001339 True native_MD 7 66 106 - OD2_AB42_7 CB_AB42_12 1 0.000000e+00 3.369411e-06 ; 3.117390e-01 -3.369411e-06 7.138819e-03 9.280688e-03 0.000485 0.000060 True native_MD 7 66 107 + OD2_AB42_7 CB_AB42_12 1 0.000000e+00 3.369438e-06 ; 3.117392e-01 -3.369438e-06 7.138819e-03 9.280688e-03 0.000485 0.000060 True native_MD 7 66 107 OD2_AB42_7 CG1_AB42_12 1 0.000000e+00 1.219556e-06 ; 2.864256e-01 -1.219556e-06 7.767185e-03 9.484496e-03 0.000485 0.000060 True native_MD 7 66 108 - OD2_AB42_7 CG2_AB42_12 1 0.000000e+00 1.220221e-06 ; 2.864386e-01 -1.220221e-06 7.896164e-03 1.016014e-02 0.000485 0.000060 True native_MD 7 66 109 + OD2_AB42_7 CG2_AB42_12 1 0.000000e+00 1.220222e-06 ; 2.864386e-01 -1.220222e-06 7.896164e-03 1.016014e-02 0.000485 0.000060 True native_MD 7 66 109 OD2_AB42_7 C_AB42_12 1 5.482817e-04 9.807554e-07 ; 3.484118e-01 7.662787e-02 5.915486e-04 9.906744e-04 0.000485 0.002166 True native_MD 7 66 110 OD2_AB42_7 O_AB42_12 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 66 111 OD2_AB42_7 N_AB42_13 1 9.245382e-05 2.712913e-08 ; 2.577815e-01 7.876875e-02 6.306882e-04 2.152463e-03 0.000485 0.002166 True native_MD 7 66 112 OD2_AB42_7 H_AB42_13 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 66 113 - OD2_AB42_7 CA_AB42_13 1 0.000000e+00 3.375022e-06 ; 3.117822e-01 -3.375022e-06 1.065677e-03 4.876360e-03 0.000485 0.001339 True native_MD 7 66 114 - OD2_AB42_7 CB_AB42_13 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 66 115 - OD2_AB42_7 ND1_AB42_13 1 0.000000e+00 5.121152e-07 ; 2.664459e-01 -5.121152e-07 9.353044e-04 5.749464e-03 0.000485 0.002166 True native_MD 7 66 117 + OD2_AB42_7 CA_AB42_13 1 0.000000e+00 3.375049e-06 ; 3.117825e-01 -3.375049e-06 1.065677e-03 4.876360e-03 0.000485 0.001339 True native_MD 7 66 114 + OD2_AB42_7 CB_AB42_13 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 66 115 + OD2_AB42_7 ND1_AB42_13 1 0.000000e+00 5.121126e-07 ; 2.664457e-01 -5.121126e-07 9.353044e-04 5.749464e-03 0.000485 0.002166 True native_MD 7 66 117 OD2_AB42_7 CD2_AB42_13 1 3.915334e-04 3.770771e-07 ; 3.142512e-01 1.016360e-01 2.989288e-03 7.912484e-03 0.000485 0.003309 True native_MD 7 66 118 OD2_AB42_7 CE1_AB42_13 1 2.073482e-04 1.005783e-07 ; 2.803070e-01 1.068652e-01 4.641012e-03 1.050498e-02 0.000485 0.003309 True native_MD 7 66 119 OD2_AB42_7 NE2_AB42_13 1 9.113078e-05 2.101316e-08 ; 2.476306e-01 9.880497e-02 5.314976e-03 1.002221e-02 0.000485 0.002166 True native_MD 7 66 120 @@ -17735,7 +17735,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD2_AB42_7 N_AB42_14 1 9.884269e-05 2.430462e-08 ; 2.502980e-01 1.004941e-01 1.208290e-03 1.938203e-03 0.000485 0.002166 True native_MD 7 66 123 OD2_AB42_7 H_AB42_14 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 66 124 OD2_AB42_7 CA_AB42_14 1 3.390518e-04 2.590824e-07 ; 3.023630e-01 1.109262e-01 3.543519e-03 2.873515e-03 0.000485 0.001339 True native_MD 7 66 125 - OD2_AB42_7 CB_AB42_14 1 0.000000e+00 1.631177e-06 ; 2.934518e-01 -1.631177e-06 3.693577e-03 3.402176e-03 0.000485 0.000060 True native_MD 7 66 126 + OD2_AB42_7 CB_AB42_14 1 0.000000e+00 1.631171e-06 ; 2.934517e-01 -1.631171e-06 3.693577e-03 3.402176e-03 0.000485 0.000060 True native_MD 7 66 126 OD2_AB42_7 CG_AB42_14 1 4.665436e-04 5.092308e-07 ; 3.208759e-01 1.068587e-01 1.925536e-03 2.853212e-03 0.000485 0.002166 True native_MD 7 66 127 OD2_AB42_7 ND1_AB42_14 1 5.362077e-04 9.749668e-07 ; 3.493624e-01 7.372526e-02 9.994261e-04 3.991769e-03 0.000485 0.002166 True native_MD 7 66 128 OD2_AB42_7 CD2_AB42_14 1 2.970058e-04 1.707995e-07 ; 2.883723e-01 1.291170e-01 4.660457e-03 5.420159e-03 0.000485 0.003309 True native_MD 7 66 129 @@ -17746,8 +17746,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD2_AB42_7 N_AB42_15 1 1.391225e-04 3.843152e-08 ; 2.552006e-01 1.259062e-01 2.584902e-03 7.873456e-04 0.000485 0.002166 True native_MD 7 66 134 OD2_AB42_7 H_AB42_15 1 4.733383e-06 5.784772e-11 ; 1.517699e-01 9.682713e-02 1.082713e-03 1.004000e-04 0.000485 0.005316 True native_MD 7 66 135 OD2_AB42_7 CA_AB42_15 1 5.388182e-04 5.540811e-07 ; 3.177034e-01 1.309939e-01 3.010009e-03 9.682636e-04 0.000485 0.001339 True native_MD 7 66 136 - OD2_AB42_7 CB_AB42_15 1 0.000000e+00 1.627982e-06 ; 2.934038e-01 -1.627982e-06 3.157614e-03 9.084769e-04 0.000485 0.000060 True native_MD 7 66 137 - OD2_AB42_7 CG_AB42_15 1 0.000000e+00 1.628547e-06 ; 2.934123e-01 -1.628547e-06 3.317420e-03 1.414544e-03 0.000485 0.000060 True native_MD 7 66 138 + OD2_AB42_7 CB_AB42_15 1 0.000000e+00 1.627977e-06 ; 2.934038e-01 -1.627977e-06 3.157614e-03 9.084769e-04 0.000485 0.000060 True native_MD 7 66 137 + OD2_AB42_7 CG_AB42_15 1 0.000000e+00 1.628542e-06 ; 2.934122e-01 -1.628542e-06 3.317420e-03 1.414544e-03 0.000485 0.000060 True native_MD 7 66 138 OD2_AB42_7 CD_AB42_15 1 7.410903e-04 9.887058e-07 ; 3.317921e-01 1.388721e-01 3.810294e-03 1.636290e-03 0.000485 0.002166 True native_MD 7 66 139 OD2_AB42_7 OE1_AB42_15 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 66 140 OD2_AB42_7 NE2_AB42_15 1 1.654840e-04 4.434368e-08 ; 2.539097e-01 1.543904e-01 7.097327e-03 2.535926e-03 0.000485 0.002166 True native_MD 7 66 141 @@ -17756,7 +17756,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD2_AB42_7 N_AB42_16 1 1.291835e-04 3.489213e-08 ; 2.542456e-01 1.195713e-01 2.138510e-03 2.848802e-04 0.000485 0.002166 True native_MD 7 66 144 OD2_AB42_7 H_AB42_16 1 4.429764e-06 5.260161e-11 ; 1.510439e-01 9.326145e-02 9.731312e-04 7.911501e-05 0.000485 0.005316 True native_MD 7 66 145 OD2_AB42_7 CA_AB42_16 1 5.657356e-04 5.966086e-07 ; 3.190406e-01 1.341151e-01 3.304701e-03 4.288251e-04 0.000485 0.001339 True native_MD 7 66 146 - OD2_AB42_7 CB_AB42_16 1 0.000000e+00 1.626433e-06 ; 2.933806e-01 -1.626433e-06 4.021158e-03 8.223644e-04 0.000485 0.000060 True native_MD 7 66 147 + OD2_AB42_7 CB_AB42_16 1 0.000000e+00 1.626427e-06 ; 2.933805e-01 -1.626427e-06 4.021158e-03 8.223644e-04 0.000485 0.000060 True native_MD 7 66 147 OD2_AB42_7 CG_AB42_16 1 2.440139e-04 2.053554e-07 ; 3.072665e-01 7.248752e-02 8.973317e-03 1.025314e-03 0.000485 0.000060 True native_MD 7 66 148 OD2_AB42_7 CD_AB42_16 1 2.701717e-04 2.384574e-07 ; 3.097147e-01 7.652598e-02 1.666314e-02 1.687230e-03 0.000485 0.000060 True native_MD 7 66 149 OD2_AB42_7 CE_AB42_16 1 2.282841e-04 1.642174e-07 ; 2.993348e-01 7.933632e-02 2.521064e-02 2.346801e-03 0.000485 0.000060 True native_MD 7 66 150 @@ -17766,19 +17766,19 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD2_AB42_7 N_AB42_17 1 1.240599e-04 3.343928e-08 ; 2.541583e-01 1.150658e-01 1.868766e-03 3.898853e-04 0.000485 0.002166 True native_MD 7 66 154 OD2_AB42_7 H_AB42_17 1 5.459627e-06 7.689885e-11 ; 1.554030e-01 9.690499e-02 1.085239e-03 4.992920e-05 0.000485 0.005316 True native_MD 7 66 155 OD2_AB42_7 CA_AB42_17 1 6.046618e-04 8.569602e-07 ; 3.351516e-01 1.066607e-01 1.453172e-03 5.207065e-04 0.000485 0.001339 True native_MD 7 66 156 - OD2_AB42_7 CB_AB42_17 1 0.000000e+00 1.629645e-06 ; 2.934288e-01 -1.629645e-06 1.750350e-03 5.204792e-04 0.000485 0.000060 True native_MD 7 66 157 - OD2_AB42_7 CG_AB42_17 1 0.000000e+00 3.360266e-06 ; 3.116684e-01 -3.360266e-06 2.034177e-03 1.456225e-03 0.000485 0.000060 True native_MD 7 66 158 + OD2_AB42_7 CB_AB42_17 1 0.000000e+00 1.629640e-06 ; 2.934287e-01 -1.629640e-06 1.750350e-03 5.204792e-04 0.000485 0.000060 True native_MD 7 66 157 + OD2_AB42_7 CG_AB42_17 1 0.000000e+00 3.360293e-06 ; 3.116686e-01 -3.360293e-06 2.034177e-03 1.456225e-03 0.000485 0.000060 True native_MD 7 66 158 OD2_AB42_7 CD1_AB42_17 1 0.000000e+00 1.216950e-06 ; 2.863745e-01 -1.216950e-06 1.587138e-03 1.164162e-03 0.000485 0.000060 True native_MD 7 66 159 OD2_AB42_7 CD2_AB42_17 1 0.000000e+00 1.217355e-06 ; 2.863825e-01 -1.217355e-06 1.676971e-03 1.586528e-03 0.000485 0.000060 True native_MD 7 66 160 OD2_AB42_7 O_AB42_17 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 66 162 OD2_AB42_7 H_AB42_18 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 66 164 OD2_AB42_7 CA_AB42_18 1 8.695171e-04 2.458652e-06 ; 3.760421e-01 7.687750e-02 5.959842e-04 5.926931e-04 0.000485 0.001339 True native_MD 7 66 165 - OD2_AB42_7 CB_AB42_18 1 0.000000e+00 3.360533e-06 ; 3.116705e-01 -3.360533e-06 1.619523e-03 1.121052e-03 0.000485 0.000060 True native_MD 7 66 166 + OD2_AB42_7 CB_AB42_18 1 0.000000e+00 3.360561e-06 ; 3.116707e-01 -3.360561e-06 1.619523e-03 1.121052e-03 0.000485 0.000060 True native_MD 7 66 166 OD2_AB42_7 CG1_AB42_18 1 0.000000e+00 1.217044e-06 ; 2.863764e-01 -1.217044e-06 1.347626e-03 1.001663e-03 0.000485 0.000060 True native_MD 7 66 167 - OD2_AB42_7 CG2_AB42_18 1 0.000000e+00 1.216789e-06 ; 2.863714e-01 -1.216789e-06 1.431900e-03 8.768453e-04 0.000485 0.000060 True native_MD 7 66 168 + OD2_AB42_7 CG2_AB42_18 1 0.000000e+00 1.216790e-06 ; 2.863714e-01 -1.216790e-06 1.431900e-03 8.768453e-04 0.000485 0.000060 True native_MD 7 66 168 OD2_AB42_7 O_AB42_18 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 66 170 OD2_AB42_7 H_AB42_19 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 66 172 - OD2_AB42_7 CB_AB42_19 1 0.000000e+00 1.632489e-06 ; 2.934714e-01 -1.632489e-06 7.359513e-04 1.248761e-03 0.000485 0.000060 True native_MD 7 66 174 + OD2_AB42_7 CB_AB42_19 1 0.000000e+00 1.632483e-06 ; 2.934714e-01 -1.632483e-06 7.359513e-04 1.248761e-03 0.000485 0.000060 True native_MD 7 66 174 OD2_AB42_7 CD1_AB42_19 1 2.783894e-04 2.277153e-07 ; 3.058135e-01 8.508503e-02 7.619127e-04 1.355789e-03 0.000485 0.003309 True native_MD 7 66 176 OD2_AB42_7 CD2_AB42_19 1 2.783894e-04 2.277153e-07 ; 3.058135e-01 8.508503e-02 7.619127e-04 1.355789e-03 0.000485 0.003309 True native_MD 7 66 177 OD2_AB42_7 CE1_AB42_19 1 3.646494e-04 3.238385e-07 ; 3.100336e-01 1.026509e-01 1.288850e-03 1.846362e-03 0.000485 0.003309 True native_MD 7 66 178 @@ -17787,7 +17787,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD2_AB42_7 O_AB42_19 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 66 182 OD2_AB42_7 H_AB42_20 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 66 184 OD2_AB42_7 CA_AB42_20 1 4.086855e-04 5.674056e-07 ; 3.340033e-01 7.359103e-02 5.401590e-04 9.582388e-04 0.000485 0.001339 True native_MD 7 66 185 - OD2_AB42_7 CB_AB42_20 1 0.000000e+00 1.631335e-06 ; 2.934542e-01 -1.631335e-06 7.708008e-04 5.763539e-04 0.000485 0.000060 True native_MD 7 66 186 + OD2_AB42_7 CB_AB42_20 1 0.000000e+00 1.631329e-06 ; 2.934541e-01 -1.631329e-06 7.708008e-04 5.763539e-04 0.000485 0.000060 True native_MD 7 66 186 OD2_AB42_7 CD1_AB42_20 1 3.938111e-04 4.665752e-07 ; 3.252912e-01 8.309871e-02 7.179425e-04 9.235395e-04 0.000485 0.003309 True native_MD 7 66 188 OD2_AB42_7 CD2_AB42_20 1 3.938111e-04 4.665752e-07 ; 3.252912e-01 8.309871e-02 7.179425e-04 9.235395e-04 0.000485 0.003309 True native_MD 7 66 189 OD2_AB42_7 CE1_AB42_20 1 3.046636e-04 2.371977e-07 ; 3.033065e-01 9.782964e-02 1.115688e-03 2.035628e-03 0.000485 0.003309 True native_MD 7 66 190 @@ -17799,21 +17799,21 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD2_AB42_7 CB_AB42_21 1 0.000000e+00 1.217247e-06 ; 2.863804e-01 -1.217247e-06 1.069874e-03 8.905503e-04 0.000485 0.000060 True native_MD 7 66 198 OD2_AB42_7 O_AB42_21 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 66 200 OD2_AB42_7 H_AB42_22 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 66 202 - OD2_AB42_7 CB_AB42_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 66 204 - OD2_AB42_7 CG_AB42_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 66 205 + OD2_AB42_7 CB_AB42_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 66 204 + OD2_AB42_7 CG_AB42_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 66 205 OD2_AB42_7 OE1_AB42_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 66 207 OD2_AB42_7 OE2_AB42_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 66 208 OD2_AB42_7 O_AB42_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 66 210 OD2_AB42_7 H_AB42_23 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 66 212 - OD2_AB42_7 CB_AB42_23 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 66 214 + OD2_AB42_7 CB_AB42_23 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 66 214 OD2_AB42_7 OD1_AB42_23 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 66 216 OD2_AB42_7 OD2_AB42_23 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 66 217 OD2_AB42_7 O_AB42_23 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 66 219 OD2_AB42_7 H_AB42_24 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 66 221 OD2_AB42_7 CA_AB42_24 1 5.031209e-04 6.026454e-07 ; 3.258854e-01 1.050081e-01 1.383054e-03 3.751885e-04 0.000485 0.001339 True native_MD 7 66 222 - OD2_AB42_7 CB_AB42_24 1 0.000000e+00 3.355034e-06 ; 3.116280e-01 -3.355034e-06 2.657988e-03 5.239337e-04 0.000485 0.000060 True native_MD 7 66 223 + OD2_AB42_7 CB_AB42_24 1 0.000000e+00 3.355061e-06 ; 3.116282e-01 -3.355061e-06 2.657988e-03 5.239337e-04 0.000485 0.000060 True native_MD 7 66 223 OD2_AB42_7 CG1_AB42_24 1 0.000000e+00 1.215623e-06 ; 2.863485e-01 -1.215623e-06 2.235657e-03 7.223877e-04 0.000485 0.000060 True native_MD 7 66 224 - OD2_AB42_7 CG2_AB42_24 1 0.000000e+00 1.215778e-06 ; 2.863515e-01 -1.215778e-06 1.869391e-03 4.839698e-04 0.000485 0.000060 True native_MD 7 66 225 + OD2_AB42_7 CG2_AB42_24 1 0.000000e+00 1.215779e-06 ; 2.863516e-01 -1.215779e-06 1.869391e-03 4.839698e-04 0.000485 0.000060 True native_MD 7 66 225 OD2_AB42_7 C_AB42_24 1 3.456868e-04 3.657746e-07 ; 3.192188e-01 8.167552e-02 6.880072e-04 1.002201e-04 0.000485 0.002166 True native_MD 7 66 226 OD2_AB42_7 O_AB42_24 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 66 227 OD2_AB42_7 N_AB42_25 1 1.150713e-04 2.658731e-08 ; 2.477144e-01 1.245087e-01 2.479026e-03 4.057861e-04 0.000485 0.002166 True native_MD 7 66 228 @@ -17824,13 +17824,13 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD2_AB42_7 N_AB42_26 1 1.269453e-04 3.622094e-08 ; 2.565806e-01 1.112279e-01 1.666000e-03 1.776509e-04 0.000485 0.002166 True native_MD 7 66 233 OD2_AB42_7 H_AB42_26 1 4.697215e-06 6.098288e-11 ; 1.533067e-01 9.045090e-02 8.946304e-04 0.000000e+00 0.000485 0.005316 True native_MD 7 66 234 OD2_AB42_7 CA_AB42_26 1 6.642288e-04 9.367969e-07 ; 3.348790e-01 1.177416e-01 2.024567e-03 4.698990e-04 0.000485 0.001339 True native_MD 7 66 235 - OD2_AB42_7 CB_AB42_26 1 0.000000e+00 1.630047e-06 ; 2.934348e-01 -1.630047e-06 1.853250e-03 8.696710e-04 0.000485 0.000060 True native_MD 7 66 236 + OD2_AB42_7 CB_AB42_26 1 0.000000e+00 1.630042e-06 ; 2.934348e-01 -1.630042e-06 1.853250e-03 8.696710e-04 0.000485 0.000060 True native_MD 7 66 236 OD2_AB42_7 OG_AB42_26 1 8.135610e-05 1.694515e-08 ; 2.434684e-01 9.765060e-02 1.109726e-03 7.495259e-04 0.000485 0.002166 True native_MD 7 66 237 OD2_AB42_7 O_AB42_26 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 66 239 OD2_AB42_7 N_AB42_27 1 8.005284e-05 2.082011e-08 ; 2.526491e-01 7.695032e-02 5.972844e-04 4.997902e-05 0.000485 0.002166 True native_MD 7 66 240 OD2_AB42_7 H_AB42_27 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 66 241 OD2_AB42_7 CA_AB42_27 1 4.874444e-04 6.687872e-07 ; 3.333449e-01 8.881824e-02 8.519706e-04 1.949980e-04 0.000485 0.001339 True native_MD 7 66 242 - OD2_AB42_7 CB_AB42_27 1 0.000000e+00 1.629847e-06 ; 2.934318e-01 -1.629847e-06 1.278479e-03 1.719277e-04 0.000485 0.000060 True native_MD 7 66 243 + OD2_AB42_7 CB_AB42_27 1 0.000000e+00 1.629841e-06 ; 2.934317e-01 -1.629841e-06 1.278479e-03 1.719277e-04 0.000485 0.000060 True native_MD 7 66 243 OD2_AB42_7 CG_AB42_27 1 6.120698e-04 9.229949e-07 ; 3.386359e-01 1.014712e-01 1.244143e-03 2.240068e-04 0.000485 0.002166 True native_MD 7 66 244 OD2_AB42_7 OD1_AB42_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 66 245 OD2_AB42_7 ND2_AB42_27 1 1.007165e-04 2.449475e-08 ; 2.498401e-01 1.035304e-01 1.323225e-03 5.283703e-04 0.000485 0.002166 True native_MD 7 66 246 @@ -17855,14 +17855,14 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD2_AB42_7 O_AB42_30 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 66 269 OD2_AB42_7 N_AB42_31 1 4.946553e-04 8.737024e-07 ; 3.476777e-01 7.001350e-02 4.853172e-04 1.000103e-04 0.000485 0.002166 True native_MD 7 66 270 OD2_AB42_7 H_AB42_31 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 66 271 - OD2_AB42_7 CB_AB42_31 1 0.000000e+00 3.359400e-06 ; 3.116617e-01 -3.359400e-06 9.798919e-04 1.442683e-04 0.000485 0.000060 True native_MD 7 66 273 - OD2_AB42_7 CG1_AB42_31 1 0.000000e+00 1.630068e-06 ; 2.934351e-01 -1.630068e-06 1.130823e-03 1.596898e-04 0.000485 0.000060 True native_MD 7 66 274 + OD2_AB42_7 CB_AB42_31 1 0.000000e+00 3.359427e-06 ; 3.116619e-01 -3.359427e-06 9.798919e-04 1.442683e-04 0.000485 0.000060 True native_MD 7 66 273 + OD2_AB42_7 CG1_AB42_31 1 0.000000e+00 1.630062e-06 ; 2.934351e-01 -1.630062e-06 1.130823e-03 1.596898e-04 0.000485 0.000060 True native_MD 7 66 274 OD2_AB42_7 CG2_AB42_31 1 0.000000e+00 1.216662e-06 ; 2.863689e-01 -1.216662e-06 8.844882e-04 2.247270e-04 0.000485 0.000060 True native_MD 7 66 275 - OD2_AB42_7 CD_AB42_31 1 0.000000e+00 1.215436e-06 ; 2.863448e-01 -1.215436e-06 2.015503e-03 3.492287e-04 0.000485 0.000060 True native_MD 7 66 276 + OD2_AB42_7 CD_AB42_31 1 0.000000e+00 1.215437e-06 ; 2.863448e-01 -1.215437e-06 2.015503e-03 3.492287e-04 0.000485 0.000060 True native_MD 7 66 276 OD2_AB42_7 O_AB42_31 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 66 278 OD2_AB42_7 H_AB42_32 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 66 280 OD2_AB42_7 CA_AB42_32 1 3.774532e-04 4.680626e-07 ; 3.277732e-01 7.609608e-02 5.822090e-04 1.542096e-04 0.000485 0.001339 True native_MD 7 66 281 - OD2_AB42_7 CB_AB42_32 1 0.000000e+00 3.359253e-06 ; 3.116606e-01 -3.359253e-06 1.081626e-03 2.023633e-04 0.000485 0.000060 True native_MD 7 66 282 + OD2_AB42_7 CB_AB42_32 1 0.000000e+00 3.359280e-06 ; 3.116608e-01 -3.359280e-06 1.081626e-03 2.023633e-04 0.000485 0.000060 True native_MD 7 66 282 OD2_AB42_7 CG1_AB42_32 1 5.266639e-04 6.634484e-07 ; 3.286338e-01 1.045201e-01 1.363003e-03 5.299862e-05 0.000485 0.000060 True native_MD 7 66 283 OD2_AB42_7 CG2_AB42_32 1 0.000000e+00 1.216111e-06 ; 2.863581e-01 -1.216111e-06 1.413423e-03 3.010947e-04 0.000485 0.000060 True native_MD 7 66 284 OD2_AB42_7 CD_AB42_32 1 0.000000e+00 1.215347e-06 ; 2.863431e-01 -1.215347e-06 2.009087e-03 2.691730e-04 0.000485 0.000060 True native_MD 7 66 285 @@ -17893,9 +17893,9 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD2_AB42_7 N_AB42_36 1 1.468903e-04 4.664209e-08 ; 2.611946e-01 1.156507e-01 1.901764e-03 1.000197e-04 0.000485 0.002166 True native_MD 7 66 311 OD2_AB42_7 H_AB42_36 1 4.074421e-06 5.647641e-11 ; 1.549888e-01 7.348602e-02 5.384641e-04 0.000000e+00 0.000485 0.005316 True native_MD 7 66 312 OD2_AB42_7 CA_AB42_36 1 5.165433e-04 5.273350e-07 ; 3.173194e-01 1.264931e-01 2.630706e-03 1.487372e-04 0.000485 0.001339 True native_MD 7 66 313 - OD2_AB42_7 CB_AB42_36 1 0.000000e+00 3.353410e-06 ; 3.116154e-01 -3.353410e-06 3.197928e-03 5.807915e-04 0.000485 0.000060 True native_MD 7 66 314 + OD2_AB42_7 CB_AB42_36 1 0.000000e+00 3.353437e-06 ; 3.116156e-01 -3.353437e-06 3.197928e-03 5.807915e-04 0.000485 0.000060 True native_MD 7 66 314 OD2_AB42_7 CG1_AB42_36 1 0.000000e+00 1.214789e-06 ; 2.863321e-01 -1.214789e-06 2.856107e-03 6.580224e-04 0.000485 0.000060 True native_MD 7 66 315 - OD2_AB42_7 CG2_AB42_36 1 0.000000e+00 1.214314e-06 ; 2.863228e-01 -1.214314e-06 2.976775e-03 3.889181e-04 0.000485 0.000060 True native_MD 7 66 316 + OD2_AB42_7 CG2_AB42_36 1 0.000000e+00 1.214315e-06 ; 2.863228e-01 -1.214315e-06 2.976775e-03 3.889181e-04 0.000485 0.000060 True native_MD 7 66 316 OD2_AB42_7 C_AB42_36 1 4.945909e-04 5.614096e-07 ; 3.229775e-01 1.089312e-01 1.555344e-03 1.159020e-05 0.000485 0.002166 True native_MD 7 66 317 OD2_AB42_7 O_AB42_36 1 7.393938e-04 1.424540e-06 ; 3.527496e-01 9.594379e-02 1.746026e-03 9.887837e-05 0.000485 0.000060 True native_MD 7 66 318 OD2_AB42_7 N_AB42_37 1 1.329264e-04 3.083821e-08 ; 2.478828e-01 1.432429e-01 4.342741e-03 2.345685e-04 0.000485 0.002166 True native_MD 7 66 319 @@ -17924,7 +17924,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD2_AB42_7 O_AB42_40 1 4.816209e-04 8.009299e-07 ; 3.442032e-01 7.240292e-02 1.744588e-03 1.998464e-04 0.000485 0.000060 True native_MD 7 66 344 OD2_AB42_7 H_AB42_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 66 346 OD2_AB42_7 CA_AB42_41 1 3.967280e-04 5.318816e-07 ; 3.320629e-01 7.397939e-02 5.464734e-04 5.003434e-05 0.000485 0.001339 True native_MD 7 66 347 - OD2_AB42_7 CB_AB42_41 1 0.000000e+00 3.358842e-06 ; 3.116574e-01 -3.358842e-06 1.171001e-03 1.693380e-04 0.000485 0.000060 True native_MD 7 66 348 + OD2_AB42_7 CB_AB42_41 1 0.000000e+00 3.358869e-06 ; 3.116576e-01 -3.358869e-06 1.171001e-03 1.693380e-04 0.000485 0.000060 True native_MD 7 66 348 OD2_AB42_7 CG1_AB42_41 1 4.860449e-04 7.967329e-07 ; 3.433782e-01 7.412763e-02 1.107665e-03 1.205026e-04 0.000485 0.000060 True native_MD 7 66 349 OD2_AB42_7 CG2_AB42_41 1 6.012526e-04 1.065024e-06 ; 3.478434e-01 8.485833e-02 1.706358e-03 1.346464e-04 0.000485 0.000060 True native_MD 7 66 350 OD2_AB42_7 CD_AB42_41 1 4.426791e-04 6.727673e-07 ; 3.390752e-01 7.282041e-02 2.253824e-03 2.549749e-04 0.000485 0.000060 True native_MD 7 66 351 @@ -17935,16 +17935,16 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OD2_AB42_7 CB_AB42_42 1 0.000000e+00 1.214349e-06 ; 2.863235e-01 -1.214349e-06 2.958826e-03 3.990018e-04 0.000485 0.000060 True native_MD 7 66 357 OD2_AB42_7 O1_AB42_42 1 6.055504e-04 1.283075e-06 ; 3.583854e-01 7.144775e-02 2.120019e-03 2.498948e-04 0.000485 0.000060 True native_MD 7 66 359 OD2_AB42_7 O2_AB42_42 1 6.055504e-04 1.283075e-06 ; 3.583854e-01 7.144775e-02 2.120019e-03 2.498948e-04 0.000485 0.000060 True native_MD 7 66 360 - C_AB42_7 CB_AB42_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 72 - C_AB42_7 OG_AB42_8 1 0.000000e+00 1.280304e-06 ; 2.875882e-01 -1.280304e-06 6.493490e-01 7.704941e-01 0.000485 0.000060 True native_MD 4 67 73 - C_AB42_7 O_AB42_8 1 0.000000e+00 7.196682e-07 ; 2.741086e-01 -7.196682e-07 9.496057e-01 8.198813e-01 0.000485 0.000060 True native_MD 4 67 75 - C_AB42_7 N_AB42_9 1 0.000000e+00 1.582617e-06 ; 2.927137e-01 -1.582617e-06 9.138665e-01 9.632436e-01 0.000485 0.000060 True native_MD 4 67 76 - C_AB42_7 CA_AB42_9 1 0.000000e+00 7.196563e-06 ; 3.320897e-01 -7.196563e-06 5.855027e-01 7.216895e-01 0.000485 0.000060 True native_MD 5 67 78 - C_AB42_7 C_AB42_9 1 0.000000e+00 2.522503e-06 ; 3.043087e-01 -2.522503e-06 1.292652e-01 9.999253e-02 0.000485 0.000060 True native_MD 6 67 79 + C_AB42_7 CB_AB42_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 72 + C_AB42_7 OG_AB42_8 1 0.000000e+00 1.280283e-06 ; 2.875878e-01 -1.280283e-06 6.493490e-01 7.704941e-01 0.000485 0.000060 True native_MD 4 67 73 + C_AB42_7 O_AB42_8 1 0.000000e+00 7.196649e-07 ; 2.741085e-01 -7.196649e-07 9.496057e-01 8.198813e-01 0.000485 0.000060 True native_MD 4 67 75 + C_AB42_7 N_AB42_9 1 0.000000e+00 1.582594e-06 ; 2.927133e-01 -1.582594e-06 9.138665e-01 9.632436e-01 0.000485 0.000060 True native_MD 4 67 76 + C_AB42_7 CA_AB42_9 1 0.000000e+00 7.196442e-06 ; 3.320893e-01 -7.196442e-06 5.855027e-01 7.216895e-01 0.000485 0.000060 True native_MD 5 67 78 + C_AB42_7 C_AB42_9 1 0.000000e+00 2.522458e-06 ; 3.043082e-01 -2.522458e-06 1.292652e-01 9.999253e-02 0.000485 0.000060 True native_MD 6 67 79 C_AB42_7 O_AB42_9 1 9.435548e-04 1.959104e-06 ; 3.571756e-01 1.136101e-01 2.580300e-02 3.123955e-02 0.000485 0.002166 True native_MD 7 67 80 C_AB42_7 N_AB42_10 1 9.016480e-04 1.639408e-06 ; 3.493615e-01 1.239729e-01 1.901395e-01 1.688180e-01 0.000485 0.002166 True native_MD 7 67 81 C_AB42_7 CA_AB42_10 1 2.409927e-03 1.346647e-05 ; 4.212517e-01 1.078187e-01 1.970578e-01 1.753667e-01 0.000485 0.001339 True native_MD 7 67 83 - C_AB42_7 CB_AB42_10 1 0.000000e+00 6.013384e-06 ; 3.271560e-01 -6.013384e-06 1.930960e-01 1.424836e-01 0.000485 0.000060 True native_MD 7 67 84 + C_AB42_7 CB_AB42_10 1 0.000000e+00 6.013283e-06 ; 3.271556e-01 -6.013283e-06 1.930960e-01 1.424836e-01 0.000485 0.000060 True native_MD 7 67 84 C_AB42_7 CG_AB42_10 1 2.692793e-03 1.233302e-05 ; 4.075158e-01 1.469862e-01 6.712073e-02 4.572832e-02 0.000485 0.003309 True native_MD 7 67 85 C_AB42_7 CD1_AB42_10 1 1.251265e-03 2.786019e-06 ; 3.613592e-01 1.404929e-01 8.105835e-02 6.706816e-02 0.000485 0.003309 True native_MD 7 67 86 C_AB42_7 CD2_AB42_10 1 1.251265e-03 2.786019e-06 ; 3.613592e-01 1.404929e-01 8.105835e-02 6.706816e-02 0.000485 0.003309 True native_MD 7 67 87 @@ -17956,8 +17956,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_7 O_AB42_10 1 6.287972e-04 9.230427e-07 ; 3.371205e-01 1.070877e-01 1.514356e-02 2.228600e-02 0.000485 0.002166 True native_MD 7 67 93 C_AB42_7 N_AB42_11 1 1.591523e-03 3.840255e-06 ; 3.662333e-01 1.648944e-01 4.175856e-02 1.089557e-02 0.000485 0.002166 True native_MD 7 67 94 C_AB42_7 CA_AB42_11 1 4.001031e-03 2.940708e-05 ; 4.409405e-01 1.360918e-01 4.629953e-02 1.767970e-02 0.000485 0.001339 True native_MD 7 67 96 - C_AB42_7 CB_AB42_11 1 0.000000e+00 6.151553e-06 ; 3.277759e-01 -6.151553e-06 4.501648e-02 1.621805e-02 0.000485 0.000060 True native_MD 7 67 97 - C_AB42_7 CG_AB42_11 1 0.000000e+00 6.241668e-06 ; 3.281734e-01 -6.241668e-06 3.861666e-02 2.404546e-02 0.000485 0.000060 True native_MD 7 67 98 + C_AB42_7 CB_AB42_11 1 0.000000e+00 6.151450e-06 ; 3.277755e-01 -6.151450e-06 4.501648e-02 1.621805e-02 0.000485 0.000060 True native_MD 7 67 97 + C_AB42_7 CG_AB42_11 1 0.000000e+00 6.241563e-06 ; 3.281729e-01 -6.241563e-06 3.861666e-02 2.404546e-02 0.000485 0.000060 True native_MD 7 67 98 C_AB42_7 CD_AB42_11 1 2.435812e-03 1.106287e-05 ; 4.069465e-01 1.340787e-01 1.455053e-02 9.547235e-03 0.000485 0.002166 True native_MD 7 67 99 C_AB42_7 OE1_AB42_11 1 6.400559e-04 7.487984e-07 ; 3.246070e-01 1.367763e-01 7.146391e-03 4.325534e-03 0.000485 0.002166 True native_MD 7 67 100 C_AB42_7 OE2_AB42_11 1 6.400559e-04 7.487984e-07 ; 3.246070e-01 1.367763e-01 7.146391e-03 4.325534e-03 0.000485 0.002166 True native_MD 7 67 101 @@ -17966,12 +17966,12 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_7 N_AB42_12 1 1.083153e-03 2.517920e-06 ; 3.639642e-01 1.164871e-01 1.949970e-03 2.051572e-04 0.000485 0.002166 True native_MD 7 67 104 C_AB42_7 CA_AB42_12 1 4.854284e-03 3.502343e-05 ; 4.395810e-01 1.682022e-01 9.165396e-03 1.048188e-03 0.000485 0.001339 True native_MD 7 67 106 C_AB42_7 CB_AB42_12 1 1.246816e-03 5.226389e-06 ; 4.015441e-01 7.436060e-02 4.180227e-02 4.516063e-03 0.000485 0.000060 True native_MD 7 67 107 - C_AB42_7 CG1_AB42_12 1 0.000000e+00 4.583219e-06 ; 3.198349e-01 -4.583219e-06 3.459136e-02 4.355812e-03 0.000485 0.000060 True native_MD 7 67 108 - C_AB42_7 CG2_AB42_12 1 0.000000e+00 4.567512e-06 ; 3.197434e-01 -4.567512e-06 4.089820e-02 7.339299e-03 0.000485 0.000060 True native_MD 7 67 109 + C_AB42_7 CG1_AB42_12 1 0.000000e+00 4.583159e-06 ; 3.198346e-01 -4.583159e-06 3.459136e-02 4.355812e-03 0.000485 0.000060 True native_MD 7 67 108 + C_AB42_7 CG2_AB42_12 1 0.000000e+00 4.567453e-06 ; 3.197431e-01 -4.567453e-06 4.089820e-02 7.339299e-03 0.000485 0.000060 True native_MD 7 67 109 C_AB42_7 C_AB42_12 1 1.880781e-03 9.856555e-06 ; 4.167713e-01 8.972038e-02 8.752848e-04 4.155284e-05 0.000485 0.002166 True native_MD 7 67 110 C_AB42_7 N_AB42_13 1 8.514548e-04 2.105285e-06 ; 3.677265e-01 8.608991e-02 7.851731e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 67 112 C_AB42_7 CA_AB42_13 1 3.824912e-03 2.316247e-05 ; 4.269338e-01 1.579058e-01 7.199863e-03 1.431239e-03 0.000485 0.001339 True native_MD 7 67 114 - C_AB42_7 CB_AB42_13 1 0.000000e+00 6.293557e-06 ; 3.283999e-01 -6.293557e-06 1.004000e-02 3.661013e-03 0.000485 0.000060 True native_MD 7 67 115 + C_AB42_7 CB_AB42_13 1 0.000000e+00 6.293451e-06 ; 3.283994e-01 -6.293451e-06 1.004000e-02 3.661013e-03 0.000485 0.000060 True native_MD 7 67 115 C_AB42_7 CG_AB42_13 1 1.668649e-03 4.755020e-06 ; 3.765285e-01 1.463920e-01 5.556061e-03 2.521933e-03 0.000485 0.002166 True native_MD 7 67 116 C_AB42_7 ND1_AB42_13 1 1.083721e-03 2.370772e-06 ; 3.602982e-01 1.238470e-01 5.526487e-03 4.925326e-03 0.000485 0.002166 True native_MD 7 67 117 C_AB42_7 CD2_AB42_13 1 1.312344e-03 2.769284e-06 ; 3.581404e-01 1.554776e-01 1.094962e-02 5.785850e-03 0.000485 0.003309 True native_MD 7 67 118 @@ -17981,7 +17981,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_7 O_AB42_13 1 5.934064e-04 6.661624e-07 ; 3.223824e-01 1.321492e-01 3.115889e-03 2.502808e-04 0.000485 0.002166 True native_MD 7 67 122 C_AB42_7 N_AB42_14 1 9.770077e-04 2.409690e-06 ; 3.675732e-01 9.903182e-02 1.156557e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 67 123 C_AB42_7 CA_AB42_14 1 2.788203e-03 1.241342e-05 ; 4.055968e-01 1.565659e-01 6.470216e-03 3.126340e-04 0.000485 0.001339 True native_MD 7 67 125 - C_AB42_7 CB_AB42_14 1 0.000000e+00 6.301755e-06 ; 3.284355e-01 -6.301755e-06 6.742812e-03 1.658076e-03 0.000485 0.000060 True native_MD 7 67 126 + C_AB42_7 CB_AB42_14 1 0.000000e+00 6.301649e-06 ; 3.284351e-01 -6.301649e-06 6.742812e-03 1.658076e-03 0.000485 0.000060 True native_MD 7 67 126 C_AB42_7 CG_AB42_14 1 2.170004e-03 7.683516e-06 ; 3.904061e-01 1.532150e-01 5.852852e-03 8.556404e-04 0.000485 0.002166 True native_MD 7 67 127 C_AB42_7 ND1_AB42_14 1 1.335439e-03 2.671360e-06 ; 3.549643e-01 1.668998e-01 8.815037e-03 1.653533e-03 0.000485 0.002166 True native_MD 7 67 128 C_AB42_7 CD2_AB42_14 1 1.468266e-03 3.128301e-06 ; 3.587159e-01 1.722823e-01 1.035570e-02 2.001983e-03 0.000485 0.003309 True native_MD 7 67 129 @@ -18012,17 +18012,17 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_7 CB_AB42_17 1 1.282062e-03 2.999441e-06 ; 3.643526e-01 1.369990e-01 1.207054e-02 2.000766e-04 0.000485 0.000060 True native_MD 7 67 157 C_AB42_7 CG_AB42_17 1 1.713496e-03 7.150167e-06 ; 4.012412e-01 1.026574e-01 1.471385e-02 6.815891e-04 0.000485 0.000060 True native_MD 7 67 158 C_AB42_7 CD1_AB42_17 1 8.496745e-04 2.305322e-06 ; 3.734621e-01 7.829132e-02 1.087834e-02 1.044808e-03 0.000485 0.000060 True native_MD 7 67 159 - C_AB42_7 CD2_AB42_17 1 0.000000e+00 4.704159e-06 ; 3.205299e-01 -4.704159e-06 5.455725e-03 8.099500e-04 0.000485 0.000060 True native_MD 7 67 160 + C_AB42_7 CD2_AB42_17 1 0.000000e+00 4.704098e-06 ; 3.205295e-01 -4.704098e-06 5.455725e-03 8.099500e-04 0.000485 0.000060 True native_MD 7 67 160 C_AB42_7 C_AB42_17 1 1.883300e-03 9.667075e-06 ; 4.153325e-01 9.172416e-02 9.293769e-04 2.400126e-06 0.000485 0.002166 True native_MD 7 67 161 C_AB42_7 O_AB42_17 1 4.132631e-04 5.593507e-07 ; 3.325903e-01 7.633244e-02 5.863416e-04 6.460542e-05 0.000485 0.002166 True native_MD 7 67 162 C_AB42_7 N_AB42_18 1 7.544188e-04 1.564292e-06 ; 3.570954e-01 9.095932e-02 9.083462e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 67 163 C_AB42_7 CA_AB42_18 1 2.669570e-03 1.608951e-05 ; 4.265962e-01 1.107336e-01 1.641541e-03 3.088908e-04 0.000485 0.001339 True native_MD 7 67 165 - C_AB42_7 CB_AB42_18 1 0.000000e+00 1.301110e-05 ; 3.488894e-01 -1.301110e-05 3.854020e-03 7.305781e-04 0.000485 0.000060 True native_MD 7 67 166 - C_AB42_7 CG1_AB42_18 1 0.000000e+00 4.721361e-06 ; 3.206274e-01 -4.721361e-06 2.098954e-03 1.093013e-03 0.000485 0.000060 True native_MD 7 67 167 - C_AB42_7 CG2_AB42_18 1 0.000000e+00 4.709377e-06 ; 3.205595e-01 -4.709377e-06 4.134062e-03 5.922360e-04 0.000485 0.000060 True native_MD 7 67 168 + C_AB42_7 CB_AB42_18 1 0.000000e+00 1.301103e-05 ; 3.488893e-01 -1.301103e-05 3.854020e-03 7.305781e-04 0.000485 0.000060 True native_MD 7 67 166 + C_AB42_7 CG1_AB42_18 1 0.000000e+00 4.721300e-06 ; 3.206270e-01 -4.721300e-06 2.098954e-03 1.093013e-03 0.000485 0.000060 True native_MD 7 67 167 + C_AB42_7 CG2_AB42_18 1 0.000000e+00 4.709315e-06 ; 3.205591e-01 -4.709315e-06 4.134062e-03 5.922360e-04 0.000485 0.000060 True native_MD 7 67 168 C_AB42_7 O_AB42_18 1 6.619968e-04 1.552866e-06 ; 3.645130e-01 7.055338e-02 4.932218e-04 6.377219e-06 0.000485 0.002166 True native_MD 7 67 170 C_AB42_7 CA_AB42_19 1 3.118297e-03 3.327772e-05 ; 4.692159e-01 7.305019e-02 5.314868e-04 1.908649e-04 0.000485 0.001339 True native_MD 7 67 173 - C_AB42_7 CB_AB42_19 1 0.000000e+00 6.327413e-06 ; 3.285468e-01 -6.327413e-06 1.409729e-03 3.760047e-04 0.000485 0.000060 True native_MD 7 67 174 + C_AB42_7 CB_AB42_19 1 0.000000e+00 6.327307e-06 ; 3.285463e-01 -6.327307e-06 1.409729e-03 3.760047e-04 0.000485 0.000060 True native_MD 7 67 174 C_AB42_7 CG_AB42_19 1 1.425763e-03 5.802813e-06 ; 3.995752e-01 8.757825e-02 8.209351e-04 3.242565e-04 0.000485 0.003309 True native_MD 7 67 175 C_AB42_7 CD1_AB42_19 1 1.024209e-03 2.496462e-06 ; 3.668507e-01 1.050492e-01 1.384753e-03 5.722482e-04 0.000485 0.003309 True native_MD 7 67 176 C_AB42_7 CD2_AB42_19 1 1.024209e-03 2.496462e-06 ; 3.668507e-01 1.050492e-01 1.384753e-03 5.722482e-04 0.000485 0.003309 True native_MD 7 67 177 @@ -18030,7 +18030,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_7 CE2_AB42_19 1 1.061765e-03 2.197658e-06 ; 3.569894e-01 1.282440e-01 2.772220e-03 1.233838e-03 0.000485 0.003309 True native_MD 7 67 179 C_AB42_7 CZ_AB42_19 1 1.188766e-03 2.750468e-06 ; 3.636791e-01 1.284477e-01 2.789171e-03 1.679665e-03 0.000485 0.003309 True native_MD 7 67 180 C_AB42_7 CA_AB42_20 1 2.790539e-03 2.620072e-05 ; 4.593082e-01 7.430244e-02 5.517820e-04 2.369268e-04 0.000485 0.001339 True native_MD 7 67 185 - C_AB42_7 CB_AB42_20 1 0.000000e+00 6.332036e-06 ; 3.285668e-01 -6.332036e-06 9.538355e-04 6.499500e-04 0.000485 0.000060 True native_MD 7 67 186 + C_AB42_7 CB_AB42_20 1 0.000000e+00 6.331930e-06 ; 3.285663e-01 -6.331930e-06 9.538355e-04 6.499500e-04 0.000485 0.000060 True native_MD 7 67 186 C_AB42_7 CG_AB42_20 1 1.415534e-03 5.393260e-06 ; 3.952045e-01 9.288154e-02 9.621303e-04 2.624876e-04 0.000485 0.003309 True native_MD 7 67 187 C_AB42_7 CD1_AB42_20 1 9.029254e-04 1.779739e-06 ; 3.540930e-01 1.145216e-01 1.838582e-03 5.874858e-04 0.000485 0.003309 True native_MD 7 67 188 C_AB42_7 CD2_AB42_20 1 9.029254e-04 1.779739e-06 ; 3.540930e-01 1.145216e-01 1.838582e-03 5.874858e-04 0.000485 0.003309 True native_MD 7 67 189 @@ -18038,10 +18038,10 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_7 CE2_AB42_20 1 8.683581e-04 1.353890e-06 ; 3.405238e-01 1.392369e-01 3.852113e-03 1.097115e-03 0.000485 0.003309 True native_MD 7 67 191 C_AB42_7 CZ_AB42_20 1 1.187556e-03 2.332935e-06 ; 3.538953e-01 1.511283e-01 5.498539e-03 1.579643e-03 0.000485 0.003309 True native_MD 7 67 192 C_AB42_7 CA_AB42_21 1 2.407558e-03 1.694001e-05 ; 4.377466e-01 8.554206e-02 7.724051e-04 5.396704e-04 0.000485 0.001339 True native_MD 7 67 197 - C_AB42_7 CB_AB42_21 1 0.000000e+00 4.725382e-06 ; 3.206501e-01 -4.725382e-06 1.023850e-03 8.686722e-04 0.000485 0.000060 True native_MD 7 67 198 + C_AB42_7 CB_AB42_21 1 0.000000e+00 4.725321e-06 ; 3.206498e-01 -4.725321e-06 1.023850e-03 8.686722e-04 0.000485 0.000060 True native_MD 7 67 198 C_AB42_7 CB_AB42_22 1 2.177342e-03 1.483852e-05 ; 4.354223e-01 7.987350e-02 6.518876e-04 4.284689e-05 0.000485 0.000060 True native_MD 7 67 204 - C_AB42_7 CG_AB42_22 1 0.000000e+00 6.331434e-06 ; 3.285642e-01 -6.331434e-06 5.613107e-04 1.624170e-04 0.000485 0.000060 True native_MD 7 67 205 - C_AB42_7 CB_AB42_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 214 + C_AB42_7 CG_AB42_22 1 0.000000e+00 6.331328e-06 ; 3.285637e-01 -6.331328e-06 5.613107e-04 1.624170e-04 0.000485 0.000060 True native_MD 7 67 205 + C_AB42_7 CB_AB42_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 214 C_AB42_7 CA_AB42_24 1 3.531441e-03 2.592703e-05 ; 4.408594e-01 1.202516e-01 2.182498e-03 8.924141e-06 0.000485 0.001339 True native_MD 7 67 222 C_AB42_7 CB_AB42_24 1 2.763253e-03 1.480598e-05 ; 4.183144e-01 1.289270e-01 9.086935e-03 1.917768e-04 0.000485 0.000060 True native_MD 7 67 223 C_AB42_7 CG1_AB42_24 1 9.431335e-04 2.001766e-06 ; 3.584870e-01 1.110895e-01 8.976989e-03 3.231003e-04 0.000485 0.000060 True native_MD 7 67 224 @@ -18053,7 +18053,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_7 O_AB42_25 1 4.678078e-04 6.050256e-07 ; 3.300789e-01 9.042763e-02 8.940077e-04 4.996695e-05 0.000485 0.002166 True native_MD 7 67 232 C_AB42_7 N_AB42_26 1 6.909654e-04 1.482651e-06 ; 3.591400e-01 8.050331e-02 6.642908e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 67 233 C_AB42_7 CA_AB42_26 1 2.110877e-03 9.156511e-06 ; 4.038417e-01 1.216567e-01 2.276221e-03 2.925547e-04 0.000485 0.001339 True native_MD 7 67 235 - C_AB42_7 CB_AB42_26 1 0.000000e+00 6.323838e-06 ; 3.285313e-01 -6.323838e-06 2.147912e-03 5.497226e-04 0.000485 0.000060 True native_MD 7 67 236 + C_AB42_7 CB_AB42_26 1 0.000000e+00 6.323732e-06 ; 3.285308e-01 -6.323732e-06 2.147912e-03 5.497226e-04 0.000485 0.000060 True native_MD 7 67 236 C_AB42_7 OG_AB42_26 1 3.091887e-04 2.268700e-07 ; 3.003255e-01 1.053441e-01 1.397029e-03 3.948134e-04 0.000485 0.002166 True native_MD 7 67 237 C_AB42_7 C_AB42_26 1 8.204736e-04 2.275972e-06 ; 3.748439e-01 7.394389e-02 5.458930e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 67 238 C_AB42_7 O_AB42_26 1 1.873744e-04 1.077556e-07 ; 2.883732e-01 8.145554e-02 6.834929e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 67 239 @@ -18145,13 +18145,13 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_7 CB_AB42_42 1 7.772475e-04 1.657739e-06 ; 3.587783e-01 9.110506e-02 3.628230e-03 2.374831e-04 0.000485 0.000060 True native_MD 7 67 357 O_AB42_7 O_AB42_7 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 68 68 O_AB42_7 H_AB42_8 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 68 70 - O_AB42_7 CB_AB42_8 1 0.000000e+00 2.015614e-06 ; 2.986728e-01 -2.015614e-06 1.000000e+00 9.999789e-01 0.000485 0.000060 True native_MD 4 68 72 - O_AB42_7 OG_AB42_8 1 0.000000e+00 3.818006e-07 ; 2.600048e-01 -3.818006e-07 1.490774e-01 1.996942e-01 0.000485 0.000060 True native_MD 5 68 73 - O_AB42_7 C_AB42_8 1 0.000000e+00 8.207579e-07 ; 2.771275e-01 -8.207579e-07 9.995836e-01 9.921043e-01 0.000485 0.000060 True native_MD 4 68 74 + O_AB42_7 CB_AB42_8 1 0.000000e+00 2.015606e-06 ; 2.986727e-01 -2.015606e-06 1.000000e+00 9.999789e-01 0.000485 0.000060 True native_MD 4 68 72 + O_AB42_7 OG_AB42_8 1 0.000000e+00 3.817995e-07 ; 2.600047e-01 -3.817995e-07 1.490774e-01 1.996942e-01 0.000485 0.000060 True native_MD 5 68 73 + O_AB42_7 C_AB42_8 1 0.000000e+00 8.207541e-07 ; 2.771274e-01 -8.207541e-07 9.995836e-01 9.921043e-01 0.000485 0.000060 True native_MD 4 68 74 O_AB42_7 O_AB42_8 1 0.000000e+00 1.433257e-06 ; 2.903056e-01 -1.433257e-06 8.280334e-01 7.835384e-01 0.000485 0.000060 True native_MD 5 68 75 O_AB42_7 N_AB42_9 1 0.000000e+00 1.586731e-06 ; 2.927770e-01 -1.586731e-06 8.036045e-01 8.614249e-01 0.000485 0.000060 True native_MD 5 68 76 - O_AB42_7 H_AB42_9 1 0.000000e+00 1.470461e-08 ; 1.982057e-01 -1.470461e-08 2.311364e-01 1.788303e-01 0.000485 0.000060 True native_MD 6 68 77 - O_AB42_7 CA_AB42_9 1 0.000000e+00 1.870639e-06 ; 2.968207e-01 -1.870639e-06 4.425265e-01 3.705809e-01 0.000485 0.000060 True native_MD 6 68 78 + O_AB42_7 H_AB42_9 1 0.000000e+00 1.470484e-08 ; 1.982060e-01 -1.470484e-08 2.311364e-01 1.788303e-01 0.000485 0.000060 True native_MD 6 68 77 + O_AB42_7 CA_AB42_9 1 0.000000e+00 1.870632e-06 ; 2.968206e-01 -1.870632e-06 4.425265e-01 3.705809e-01 0.000485 0.000060 True native_MD 6 68 78 O_AB42_7 C_AB42_9 1 1.308600e-03 2.926459e-06 ; 3.616229e-01 1.462888e-01 1.507422e-01 6.863639e-02 0.000485 0.002166 True native_MD 7 68 79 O_AB42_7 O_AB42_9 1 0.000000e+00 1.465165e-06 ; 2.908387e-01 -1.465165e-06 7.130161e-02 4.807860e-02 0.000485 0.000060 True native_MD 7 68 80 O_AB42_7 N_AB42_10 1 1.742752e-04 6.351825e-08 ; 2.672661e-01 1.195399e-01 2.146958e-01 2.176688e-01 0.000485 0.002166 True native_MD 7 68 81 @@ -18409,13 +18409,13 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 O_AB42_7 CB_AB42_42 1 3.613339e-04 2.520363e-07 ; 2.978007e-01 1.295073e-01 2.879035e-03 2.179566e-04 0.000485 0.001191 True native_MD 7 68 357 O_AB42_7 O1_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 68 359 O_AB42_7 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 68 360 - N_AB42_8 CB_AB42_8 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 69 72 - N_AB42_8 CA_AB42_9 1 0.000000e+00 3.646607e-06 ; 3.137996e-01 -3.646607e-06 9.871923e-01 9.791743e-01 0.000485 0.000060 True native_MD 4 69 78 - N_AB42_8 C_AB42_9 1 0.000000e+00 1.537417e-06 ; 2.920077e-01 -1.537417e-06 3.639455e-02 5.580157e-02 0.000485 0.000060 True native_MD 5 69 79 + N_AB42_8 CB_AB42_8 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 69 72 + N_AB42_8 CA_AB42_9 1 0.000000e+00 3.646559e-06 ; 3.137993e-01 -3.646559e-06 9.871923e-01 9.791743e-01 0.000485 0.000060 True native_MD 4 69 78 + N_AB42_8 C_AB42_9 1 0.000000e+00 1.537396e-06 ; 2.920074e-01 -1.537396e-06 3.639455e-02 5.580157e-02 0.000485 0.000060 True native_MD 5 69 79 N_AB42_8 O_AB42_9 1 0.000000e+00 1.503167e-06 ; 2.914600e-01 -1.503167e-06 6.390740e-02 6.601842e-02 0.000485 0.000060 True native_MD 6 69 80 - N_AB42_8 N_AB42_10 1 0.000000e+00 8.876533e-07 ; 2.789429e-01 -8.876533e-07 9.784097e-02 1.119611e-01 0.000485 0.000060 True native_MD 6 69 81 + N_AB42_8 N_AB42_10 1 0.000000e+00 8.876440e-07 ; 2.789426e-01 -8.876440e-07 9.784097e-02 1.119611e-01 0.000485 0.000060 True native_MD 6 69 81 N_AB42_8 CA_AB42_10 1 4.580457e-03 4.730224e-05 ; 4.666545e-01 1.108858e-01 6.232795e-02 5.060347e-02 0.000485 0.001339 True native_MD 7 69 83 - N_AB42_8 CB_AB42_10 1 0.000000e+00 3.628566e-06 ; 3.136700e-01 -3.628566e-06 3.476832e-02 2.184280e-02 0.000485 0.000060 True native_MD 7 69 84 + N_AB42_8 CB_AB42_10 1 0.000000e+00 3.628519e-06 ; 3.136696e-01 -3.628519e-06 3.476832e-02 2.184280e-02 0.000485 0.000060 True native_MD 7 69 84 N_AB42_8 CG_AB42_10 1 1.890430e-03 7.907212e-06 ; 4.013998e-01 1.129895e-01 2.956871e-03 5.572003e-03 0.000485 0.003309 True native_MD 7 69 85 N_AB42_8 CD1_AB42_10 1 1.238698e-03 2.476425e-06 ; 3.549305e-01 1.548979e-01 4.417286e-02 2.375007e-02 0.000485 0.003309 True native_MD 7 69 86 N_AB42_8 CD2_AB42_10 1 1.238698e-03 2.476425e-06 ; 3.549305e-01 1.548979e-01 4.417286e-02 2.375007e-02 0.000485 0.003309 True native_MD 7 69 87 @@ -18424,10 +18424,10 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_8 CZ_AB42_10 1 8.889217e-04 1.028355e-06 ; 3.240012e-01 1.920986e-01 4.373901e-02 7.724908e-03 0.000485 0.003309 True native_MD 7 69 90 N_AB42_8 OH_AB42_10 1 4.306812e-04 2.331649e-07 ; 2.854858e-01 1.988789e-01 2.295335e-02 1.702214e-03 0.000485 0.002166 True native_MD 7 69 91 N_AB42_8 O_AB42_10 1 5.978882e-04 1.191443e-06 ; 3.547389e-01 7.500786e-02 3.935916e-03 1.512818e-02 0.000485 0.002166 True native_MD 7 69 93 - N_AB42_8 N_AB42_11 1 0.000000e+00 8.744338e-07 ; 2.785943e-01 -8.744338e-07 1.378943e-03 3.962294e-04 0.000485 0.000060 True native_MD 7 69 94 + N_AB42_8 N_AB42_11 1 0.000000e+00 8.744247e-07 ; 2.785941e-01 -8.744247e-07 1.378943e-03 3.962294e-04 0.000485 0.000060 True native_MD 7 69 94 N_AB42_8 CA_AB42_11 1 5.551526e-03 4.734617e-05 ; 4.520073e-01 1.627346e-01 1.254784e-02 2.158762e-03 0.000485 0.001339 True native_MD 7 69 96 - N_AB42_8 CB_AB42_11 1 0.000000e+00 3.562910e-06 ; 3.131930e-01 -3.562910e-06 3.564191e-02 4.855934e-03 0.000485 0.000060 True native_MD 7 69 97 - N_AB42_8 CG_AB42_11 1 0.000000e+00 3.593843e-06 ; 3.134187e-01 -3.593843e-06 3.321459e-02 1.084321e-02 0.000485 0.000060 True native_MD 7 69 98 + N_AB42_8 CB_AB42_11 1 0.000000e+00 3.562863e-06 ; 3.131927e-01 -3.562863e-06 3.564191e-02 4.855934e-03 0.000485 0.000060 True native_MD 7 69 97 + N_AB42_8 CG_AB42_11 1 0.000000e+00 3.593795e-06 ; 3.134184e-01 -3.593795e-06 3.321459e-02 1.084321e-02 0.000485 0.000060 True native_MD 7 69 98 N_AB42_8 CD_AB42_11 1 6.970108e-04 7.889920e-07 ; 3.228287e-01 1.539382e-01 1.297602e-02 4.699367e-03 0.000485 0.002166 True native_MD 7 69 99 N_AB42_8 OE1_AB42_11 1 1.953671e-04 6.402371e-08 ; 2.625719e-01 1.490396e-01 2.246615e-02 9.421185e-03 0.000485 0.002166 True native_MD 7 69 100 N_AB42_8 OE2_AB42_11 1 1.953671e-04 6.402371e-08 ; 2.625719e-01 1.490396e-01 2.246615e-02 9.421185e-03 0.000485 0.002166 True native_MD 7 69 101 @@ -18437,11 +18437,11 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_8 CA_AB42_12 1 4.686709e-03 3.628007e-05 ; 4.447678e-01 1.513589e-01 5.536611e-03 4.399577e-04 0.000485 0.001339 True native_MD 7 69 106 N_AB42_8 CB_AB42_12 1 9.722688e-04 2.981401e-06 ; 3.811585e-01 7.926700e-02 2.831337e-02 2.641100e-03 0.000485 0.000060 True native_MD 7 69 107 N_AB42_8 CG1_AB42_12 1 5.265529e-04 9.562551e-07 ; 3.492920e-01 7.248536e-02 2.398074e-02 2.740278e-03 0.000485 0.000060 True native_MD 7 69 108 - N_AB42_8 CG2_AB42_12 1 0.000000e+00 2.679508e-06 ; 3.058437e-01 -2.679508e-06 2.850220e-02 5.381692e-03 0.000485 0.000060 True native_MD 7 69 109 + N_AB42_8 CG2_AB42_12 1 0.000000e+00 2.679483e-06 ; 3.058435e-01 -2.679483e-06 2.850220e-02 5.381692e-03 0.000485 0.000060 True native_MD 7 69 109 N_AB42_8 O_AB42_12 1 1.625276e-03 5.976325e-06 ; 3.928721e-01 1.104995e-01 1.630078e-03 1.077421e-03 0.000485 0.002166 True native_MD 7 69 111 N_AB42_8 N_AB42_13 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 9.511249e-05 3.498936e-06 0.000485 0.000060 True native_MD 7 69 112 N_AB42_8 CA_AB42_13 1 4.293204e-03 3.074846e-05 ; 4.390429e-01 1.498579e-01 5.293429e-03 5.329551e-04 0.000485 0.001339 True native_MD 7 69 114 - N_AB42_8 CB_AB42_13 1 0.000000e+00 3.655874e-06 ; 3.138660e-01 -3.655874e-06 7.298280e-03 1.801247e-03 0.000485 0.000060 True native_MD 7 69 115 + N_AB42_8 CB_AB42_13 1 0.000000e+00 3.655826e-06 ; 3.138657e-01 -3.655826e-06 7.298280e-03 1.801247e-03 0.000485 0.000060 True native_MD 7 69 115 N_AB42_8 CG_AB42_13 1 7.795677e-04 1.063907e-06 ; 3.330491e-01 1.428052e-01 4.286228e-03 8.937602e-04 0.000485 0.002166 True native_MD 7 69 116 N_AB42_8 ND1_AB42_13 1 2.508839e-04 1.143106e-07 ; 2.773974e-01 1.376572e-01 4.499228e-03 2.652427e-03 0.000485 0.002166 True native_MD 7 69 117 N_AB42_8 CD2_AB42_13 1 6.659589e-04 7.138283e-07 ; 3.199075e-01 1.553249e-01 6.467165e-03 3.432998e-03 0.000485 0.003309 True native_MD 7 69 118 @@ -18482,15 +18482,15 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_8 CB_AB42_17 1 2.211781e-03 7.816010e-06 ; 3.902778e-01 1.564729e-01 6.452227e-03 2.332789e-07 0.000485 0.000060 True native_MD 7 69 157 N_AB42_8 CG_AB42_17 1 3.286218e-03 1.847219e-05 ; 4.216677e-01 1.461552e-01 9.017218e-03 1.136428e-04 0.000485 0.000060 True native_MD 7 69 158 N_AB42_8 CD1_AB42_17 1 7.710186e-04 1.776929e-06 ; 3.634412e-01 8.363723e-02 6.834813e-03 5.593988e-04 0.000485 0.000060 True native_MD 7 69 159 - N_AB42_8 CD2_AB42_17 1 0.000000e+00 2.736630e-06 ; 3.063818e-01 -2.736630e-06 2.742978e-03 4.476828e-04 0.000485 0.000060 True native_MD 7 69 160 + N_AB42_8 CD2_AB42_17 1 0.000000e+00 2.736604e-06 ; 3.063816e-01 -2.736604e-06 2.742978e-03 4.476828e-04 0.000485 0.000060 True native_MD 7 69 160 N_AB42_8 N_AB42_18 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.413955e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 69 163 N_AB42_8 CA_AB42_18 1 2.536413e-03 2.062480e-05 ; 4.484303e-01 7.798126e-02 6.159989e-04 5.471706e-05 0.000485 0.001339 True native_MD 7 69 165 - N_AB42_8 CB_AB42_18 1 0.000000e+00 7.565026e-06 ; 3.334744e-01 -7.565026e-06 1.692844e-03 3.767913e-04 0.000485 0.000060 True native_MD 7 69 166 - N_AB42_8 CG1_AB42_18 1 0.000000e+00 2.742340e-06 ; 3.064350e-01 -2.742340e-06 8.752075e-04 6.613928e-04 0.000485 0.000060 True native_MD 7 69 167 - N_AB42_8 CG2_AB42_18 1 0.000000e+00 2.737493e-06 ; 3.063899e-01 -2.737493e-06 2.350847e-03 3.700084e-04 0.000485 0.000060 True native_MD 7 69 168 + N_AB42_8 CB_AB42_18 1 0.000000e+00 7.565014e-06 ; 3.334744e-01 -7.565014e-06 1.692844e-03 3.767913e-04 0.000485 0.000060 True native_MD 7 69 166 + N_AB42_8 CG1_AB42_18 1 0.000000e+00 2.742314e-06 ; 3.064348e-01 -2.742314e-06 8.752075e-04 6.613928e-04 0.000485 0.000060 True native_MD 7 69 167 + N_AB42_8 CG2_AB42_18 1 0.000000e+00 2.737467e-06 ; 3.063896e-01 -2.737467e-06 2.350847e-03 3.700084e-04 0.000485 0.000060 True native_MD 7 69 168 N_AB42_8 O_AB42_18 1 1.416157e-04 5.978159e-08 ; 2.738899e-01 8.386785e-02 7.346594e-04 5.264046e-05 0.000485 0.002166 True native_MD 7 69 170 N_AB42_8 N_AB42_19 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 6.736412e-05 0.000000e+00 0.000485 0.000060 True native_MD 7 69 171 - N_AB42_8 CB_AB42_19 1 0.000000e+00 3.674335e-06 ; 3.139978e-01 -3.674335e-06 7.094428e-04 2.343383e-04 0.000485 0.000060 True native_MD 7 69 174 + N_AB42_8 CB_AB42_19 1 0.000000e+00 3.674287e-06 ; 3.139974e-01 -3.674287e-06 7.094428e-04 2.343383e-04 0.000485 0.000060 True native_MD 7 69 174 N_AB42_8 CG_AB42_19 1 3.253751e-04 3.723998e-07 ; 3.234230e-01 7.107212e-02 5.009382e-04 1.813002e-04 0.000485 0.003309 True native_MD 7 69 175 N_AB42_8 CD1_AB42_19 1 3.873849e-04 4.676882e-07 ; 3.263139e-01 8.021749e-02 6.586330e-04 3.169771e-04 0.000485 0.003309 True native_MD 7 69 176 N_AB42_8 CD2_AB42_19 1 3.873849e-04 4.676882e-07 ; 3.263139e-01 8.021749e-02 6.586330e-04 3.169771e-04 0.000485 0.003309 True native_MD 7 69 177 @@ -18499,7 +18499,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_8 CZ_AB42_19 1 6.334932e-04 8.691981e-07 ; 3.333467e-01 1.154264e-01 1.889043e-03 5.187275e-04 0.000485 0.003309 True native_MD 7 69 180 N_AB42_8 N_AB42_20 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 6.715573e-05 0.000000e+00 0.000485 0.000060 True native_MD 7 69 183 N_AB42_8 CA_AB42_20 1 2.137015e-03 1.536866e-05 ; 4.393440e-01 7.428809e-02 5.515451e-04 4.937150e-05 0.000485 0.001339 True native_MD 7 69 185 - N_AB42_8 CB_AB42_20 1 0.000000e+00 3.673464e-06 ; 3.139916e-01 -3.673464e-06 9.348214e-04 2.227703e-04 0.000485 0.000060 True native_MD 7 69 186 + N_AB42_8 CB_AB42_20 1 0.000000e+00 3.673416e-06 ; 3.139912e-01 -3.673416e-06 9.348214e-04 2.227703e-04 0.000485 0.000060 True native_MD 7 69 186 N_AB42_8 CG_AB42_20 1 8.202546e-04 1.841720e-06 ; 3.618644e-01 9.133009e-02 9.184812e-04 6.573837e-06 0.000485 0.003309 True native_MD 7 69 187 N_AB42_8 CD1_AB42_20 1 6.103231e-04 8.579580e-07 ; 3.346964e-01 1.085410e-01 1.537284e-03 1.293861e-04 0.000485 0.003309 True native_MD 7 69 188 N_AB42_8 CD2_AB42_20 1 6.103231e-04 8.579580e-07 ; 3.346964e-01 1.085410e-01 1.537284e-03 1.293861e-04 0.000485 0.003309 True native_MD 7 69 189 @@ -18507,14 +18507,14 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_8 CE2_AB42_20 1 5.970002e-04 6.751571e-07 ; 3.227788e-01 1.319727e-01 3.099480e-03 6.596024e-04 0.000485 0.003309 True native_MD 7 69 191 N_AB42_8 CZ_AB42_20 1 6.936438e-04 8.424114e-07 ; 3.266364e-01 1.427870e-01 4.283896e-03 6.650722e-04 0.000485 0.003309 True native_MD 7 69 192 N_AB42_8 N_AB42_21 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 6.505373e-05 0.000000e+00 0.000485 0.000060 True native_MD 7 69 195 - N_AB42_8 CB_AB42_21 1 0.000000e+00 2.742337e-06 ; 3.064350e-01 -2.742337e-06 7.058147e-04 4.911808e-04 0.000485 0.000060 True native_MD 7 69 198 + N_AB42_8 CB_AB42_21 1 0.000000e+00 2.742312e-06 ; 3.064348e-01 -2.742312e-06 7.058147e-04 4.911808e-04 0.000485 0.000060 True native_MD 7 69 198 N_AB42_8 N_AB42_22 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 69 201 - N_AB42_8 CB_AB42_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 69 204 - N_AB42_8 CG_AB42_22 1 0.000000e+00 3.674318e-06 ; 3.139976e-01 -3.674318e-06 5.952528e-04 1.154258e-04 0.000485 0.000060 True native_MD 7 69 205 + N_AB42_8 CB_AB42_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 69 204 + N_AB42_8 CG_AB42_22 1 0.000000e+00 3.674269e-06 ; 3.139973e-01 -3.674269e-06 5.952528e-04 1.154258e-04 0.000485 0.000060 True native_MD 7 69 205 N_AB42_8 OE1_AB42_22 1 2.390901e-04 1.510727e-07 ; 2.929346e-01 9.459701e-02 1.012813e-03 4.253838e-04 0.000485 0.002166 True native_MD 7 69 207 N_AB42_8 OE2_AB42_22 1 2.390901e-04 1.510727e-07 ; 2.929346e-01 9.459701e-02 1.012813e-03 4.253838e-04 0.000485 0.002166 True native_MD 7 69 208 N_AB42_8 N_AB42_23 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 69 211 - N_AB42_8 CB_AB42_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 69 214 + N_AB42_8 CB_AB42_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 69 214 N_AB42_8 N_AB42_24 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.023741e-05 0.000000e+00 0.000485 0.000060 True native_MD 7 69 220 N_AB42_8 CA_AB42_24 1 4.124755e-03 3.862204e-05 ; 4.590988e-01 1.101289e-01 1.612098e-03 3.016964e-05 0.000485 0.001339 True native_MD 7 69 222 N_AB42_8 CB_AB42_24 1 1.942644e-03 8.674910e-06 ; 4.057999e-01 1.087581e-01 4.496126e-03 1.735185e-04 0.000485 0.000060 True native_MD 7 69 223 @@ -18526,7 +18526,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_8 O_AB42_25 1 8.953337e-05 2.069211e-08 ; 2.477251e-01 9.685122e-02 1.083494e-03 1.500862e-04 0.000485 0.002166 True native_MD 7 69 232 N_AB42_8 N_AB42_26 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.746982e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 69 233 N_AB42_8 CA_AB42_26 1 1.380452e-03 4.050794e-06 ; 3.783727e-01 1.176096e-01 2.016581e-03 1.777331e-04 0.000485 0.001339 True native_MD 7 69 235 - N_AB42_8 CB_AB42_26 1 0.000000e+00 3.671046e-06 ; 3.139743e-01 -3.671046e-06 1.706175e-03 3.362788e-04 0.000485 0.000060 True native_MD 7 69 236 + N_AB42_8 CB_AB42_26 1 0.000000e+00 3.670997e-06 ; 3.139740e-01 -3.670997e-06 1.706175e-03 3.362788e-04 0.000485 0.000060 True native_MD 7 69 236 N_AB42_8 OG_AB42_26 1 1.525148e-04 6.000716e-08 ; 2.706960e-01 9.690826e-02 1.085345e-03 1.517318e-04 0.000485 0.002166 True native_MD 7 69 237 N_AB42_8 O_AB42_26 1 8.821229e-05 2.429304e-08 ; 2.550696e-01 8.007858e-02 6.559008e-04 4.999538e-05 0.000485 0.002166 True native_MD 7 69 239 N_AB42_8 N_AB42_27 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 8.770242e-05 0.000000e+00 0.000485 0.000060 True native_MD 7 69 240 @@ -18550,7 +18550,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_8 O_AB42_29 1 1.078617e-03 3.931733e-06 ; 3.923010e-01 7.397599e-02 5.464178e-04 1.756425e-04 0.000485 0.002166 True native_MD 7 69 263 N_AB42_8 N_AB42_30 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 5.160915e-05 0.000000e+00 0.000485 0.000060 True native_MD 7 69 264 N_AB42_8 CA_AB42_30 1 1.810681e-03 7.417460e-06 ; 4.000082e-01 1.105017e-01 1.630184e-03 1.026664e-04 0.000485 0.001339 True native_MD 7 69 266 - N_AB42_8 CB_AB42_30 1 0.000000e+00 2.739827e-06 ; 3.064116e-01 -2.739827e-06 1.313203e-03 1.831605e-04 0.000485 0.000060 True native_MD 7 69 267 + N_AB42_8 CB_AB42_30 1 0.000000e+00 2.739801e-06 ; 3.064114e-01 -2.739801e-06 1.313203e-03 1.831605e-04 0.000485 0.000060 True native_MD 7 69 267 N_AB42_8 C_AB42_30 1 5.288458e-04 8.237155e-07 ; 3.404667e-01 8.488303e-02 7.573208e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 69 268 N_AB42_8 O_AB42_30 1 1.183094e-04 3.162194e-08 ; 2.538019e-01 1.106599e-01 1.637921e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 69 269 N_AB42_8 N_AB42_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.669395e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 69 270 @@ -18620,13 +18620,13 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_8 CB_AB42_41 1 2.394537e-03 1.134816e-05 ; 4.098428e-01 1.263158e-01 2.616782e-03 2.063829e-05 0.000485 0.000060 True native_MD 7 69 348 N_AB42_8 CG1_AB42_41 1 8.326466e-04 1.472773e-06 ; 3.477596e-01 1.176862e-01 2.021213e-03 0.000000e+00 0.000485 0.000060 True native_MD 7 69 349 N_AB42_8 CG2_AB42_41 1 1.294774e-03 3.763932e-06 ; 3.777820e-01 1.113490e-01 2.530438e-03 9.037130e-05 0.000485 0.000060 True native_MD 7 69 350 - N_AB42_8 CD_AB42_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 69 351 + N_AB42_8 CD_AB42_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 69 351 N_AB42_8 N_AB42_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 3.236479e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 69 354 N_AB42_8 CA_AB42_42 1 2.279427e-03 1.218534e-05 ; 4.181531e-01 1.065992e-01 1.450498e-03 1.414253e-04 0.000485 0.001339 True native_MD 7 69 356 N_AB42_8 CB_AB42_42 1 6.071701e-04 1.012448e-06 ; 3.443582e-01 9.103070e-02 2.078276e-03 1.363351e-04 0.000485 0.000060 True native_MD 7 69 357 H_AB42_8 H_AB42_8 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 70 - H_AB42_8 OG_AB42_8 1 0.000000e+00 2.596390e-08 ; 2.078225e-01 -2.596390e-08 3.769869e-01 5.887255e-01 0.000485 0.000060 True native_MD 4 70 73 - H_AB42_8 O_AB42_8 1 0.000000e+00 1.184842e-08 ; 1.946704e-01 -1.184842e-08 4.715064e-01 2.351222e-01 0.000485 0.000060 True native_MD 4 70 75 + H_AB42_8 OG_AB42_8 1 0.000000e+00 2.596402e-08 ; 2.078225e-01 -2.596402e-08 3.769869e-01 5.887255e-01 0.000485 0.000060 True native_MD 4 70 73 + H_AB42_8 O_AB42_8 1 0.000000e+00 1.184860e-08 ; 1.946707e-01 -1.184860e-08 4.715064e-01 2.351222e-01 0.000485 0.000060 True native_MD 4 70 75 H_AB42_8 H_AB42_9 1 0.000000e+00 1.631686e-08 ; 1.999316e-01 -1.631686e-08 2.785286e-01 6.382666e-01 0.000485 0.000060 True native_MD 5 70 77 H_AB42_8 O_AB42_9 1 6.217845e-05 1.288295e-08 ; 2.432554e-01 7.502474e-02 5.638389e-04 1.083692e-03 0.000485 0.005316 True native_MD 7 70 80 H_AB42_8 H_AB42_10 1 0.000000e+00 1.233650e-08 ; 1.953264e-01 -1.233650e-08 2.429032e-03 3.047095e-02 0.000485 0.000060 True native_MD 7 70 82 @@ -18706,10 +18706,10 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 H_AB42_8 H_AB42_42 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 355 H_AB42_8 O1_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 359 H_AB42_8 O2_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 360 - CA_AB42_8 C_AB42_9 1 0.000000e+00 1.305191e-05 ; 3.489805e-01 -1.305191e-05 9.999968e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 71 79 - CA_AB42_8 O_AB42_9 1 0.000000e+00 3.546788e-06 ; 3.130747e-01 -3.546788e-06 3.568825e-01 2.108112e-01 0.000485 0.000060 True native_MD 5 71 80 - CA_AB42_8 N_AB42_10 1 0.000000e+00 8.669882e-06 ; 3.372843e-01 -8.669882e-06 6.545943e-01 7.991340e-01 0.000485 0.000060 True native_MD 5 71 81 - CA_AB42_8 CA_AB42_10 1 0.000000e+00 7.391528e-05 ; 4.032331e-01 -7.391528e-05 6.614748e-01 7.889928e-01 0.000485 0.000060 True native_MD 6 71 83 + CA_AB42_8 C_AB42_9 1 0.000000e+00 1.305184e-05 ; 3.489804e-01 -1.305184e-05 9.999968e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 71 79 + CA_AB42_8 O_AB42_9 1 0.000000e+00 3.546816e-06 ; 3.130749e-01 -3.546816e-06 3.568825e-01 2.108112e-01 0.000485 0.000060 True native_MD 5 71 80 + CA_AB42_8 N_AB42_10 1 0.000000e+00 8.669869e-06 ; 3.372842e-01 -8.669869e-06 6.545943e-01 7.991340e-01 0.000485 0.000060 True native_MD 5 71 81 + CA_AB42_8 CA_AB42_10 1 0.000000e+00 7.391582e-05 ; 4.032334e-01 -7.391582e-05 6.614748e-01 7.889928e-01 0.000485 0.000060 True native_MD 6 71 83 CA_AB42_8 CB_AB42_10 1 6.337043e-03 1.016674e-04 ; 5.022067e-01 9.874872e-02 5.075339e-01 4.518268e-01 0.000485 0.001021 True native_MD 7 71 84 CA_AB42_8 CG_AB42_10 1 4.053285e-03 3.358845e-05 ; 4.498459e-01 1.222825e-01 1.895042e-01 1.579113e-01 0.000485 0.001933 True native_MD 7 71 85 CA_AB42_8 CD1_AB42_10 1 1.936401e-03 7.679583e-06 ; 3.978540e-01 1.220655e-01 2.103112e-01 1.763910e-01 0.000485 0.001933 True native_MD 7 71 86 @@ -18951,14 +18951,14 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CA_AB42_8 C_AB42_42 1 2.557684e-03 1.391104e-05 ; 4.193585e-01 1.175639e-01 2.013830e-03 2.706885e-04 0.000485 0.001339 True native_MD 7 71 358 CA_AB42_8 O1_AB42_42 1 6.471023e-04 9.606427e-07 ; 3.377522e-01 1.089743e-01 1.557349e-03 2.274601e-04 0.000485 0.001339 True native_MD 7 71 359 CA_AB42_8 O2_AB42_42 1 6.471023e-04 9.606427e-07 ; 3.377522e-01 1.089743e-01 1.557349e-03 2.274601e-04 0.000485 0.001339 True native_MD 7 71 360 - CB_AB42_8 OG_AB42_8 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 72 73 - CB_AB42_8 C_AB42_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 72 74 + CB_AB42_8 OG_AB42_8 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 72 73 + CB_AB42_8 C_AB42_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 72 74 CB_AB42_8 O_AB42_8 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 72 75 - CB_AB42_8 N_AB42_9 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 72 76 - CB_AB42_8 CA_AB42_9 1 0.000000e+00 1.543884e-05 ; 3.538992e-01 -1.543884e-05 1.000000e+00 9.999961e-01 0.000485 0.000060 True native_MD 4 72 78 - CB_AB42_8 C_AB42_9 1 0.000000e+00 5.634403e-06 ; 3.253861e-01 -5.634403e-06 5.273353e-01 4.168897e-01 0.000485 0.000060 True native_MD 5 72 79 - CB_AB42_8 O_AB42_9 1 0.000000e+00 1.813438e-06 ; 2.960535e-01 -1.813438e-06 1.736199e-01 7.329593e-02 0.000485 0.000060 True native_MD 6 72 80 - CB_AB42_8 N_AB42_10 1 0.000000e+00 3.779553e-06 ; 3.147374e-01 -3.779553e-06 3.268462e-01 3.549933e-01 0.000485 0.000060 True native_MD 6 72 81 + CB_AB42_8 N_AB42_9 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 72 76 + CB_AB42_8 CA_AB42_9 1 0.000000e+00 1.543860e-05 ; 3.538987e-01 -1.543860e-05 1.000000e+00 9.999961e-01 0.000485 0.000060 True native_MD 4 72 78 + CB_AB42_8 C_AB42_9 1 0.000000e+00 5.634308e-06 ; 3.253856e-01 -5.634308e-06 5.273353e-01 4.168897e-01 0.000485 0.000060 True native_MD 5 72 79 + CB_AB42_8 O_AB42_9 1 0.000000e+00 1.813431e-06 ; 2.960534e-01 -1.813431e-06 1.736199e-01 7.329593e-02 0.000485 0.000060 True native_MD 6 72 80 + CB_AB42_8 N_AB42_10 1 0.000000e+00 3.779503e-06 ; 3.147371e-01 -3.779503e-06 3.268462e-01 3.549933e-01 0.000485 0.000060 True native_MD 6 72 81 CB_AB42_8 CA_AB42_10 1 2.467047e-03 1.647231e-05 ; 4.339398e-01 9.237199e-02 3.301659e-01 3.557258e-01 0.000485 0.001021 True native_MD 7 72 83 CB_AB42_8 CB_AB42_10 1 2.814416e-03 1.906648e-05 ; 4.349911e-01 1.038595e-01 2.788867e-01 2.483982e-01 0.000485 0.001190 True native_MD 7 72 84 CB_AB42_8 CG_AB42_10 1 1.817549e-03 6.700537e-06 ; 3.930405e-01 1.232544e-01 1.487020e-01 1.452430e-01 0.000485 0.002332 True native_MD 7 72 85 @@ -18967,52 +18967,52 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_8 CE1_AB42_10 1 8.298416e-04 1.327319e-06 ; 3.419768e-01 1.297045e-01 1.310174e-01 1.055060e-01 0.000485 0.002332 True native_MD 7 72 88 CB_AB42_8 CE2_AB42_10 1 8.298416e-04 1.327319e-06 ; 3.419768e-01 1.297045e-01 1.310174e-01 1.055060e-01 0.000485 0.002332 True native_MD 7 72 89 CB_AB42_8 CZ_AB42_10 1 9.117702e-04 1.521097e-06 ; 3.443858e-01 1.366325e-01 1.268673e-01 8.303439e-02 0.000485 0.002332 True native_MD 7 72 90 - CB_AB42_8 OH_AB42_10 1 0.000000e+00 2.623990e-06 ; 3.053106e-01 -2.623990e-06 8.756214e-02 3.025472e-02 0.000485 0.000060 True native_MD 7 72 91 - CB_AB42_8 C_AB42_10 1 0.000000e+00 5.948921e-06 ; 3.268623e-01 -5.948921e-06 1.277056e-01 6.691582e-02 0.000485 0.000060 True native_MD 7 72 92 + CB_AB42_8 OH_AB42_10 1 0.000000e+00 2.623951e-06 ; 3.053102e-01 -2.623951e-06 8.756214e-02 3.025472e-02 0.000485 0.000060 True native_MD 7 72 91 + CB_AB42_8 C_AB42_10 1 0.000000e+00 5.948821e-06 ; 3.268619e-01 -5.948821e-06 1.277056e-01 6.691582e-02 0.000485 0.000060 True native_MD 7 72 92 CB_AB42_8 O_AB42_10 1 3.608044e-04 3.754476e-07 ; 3.183315e-01 8.668308e-02 4.607247e-02 6.863046e-02 0.000485 0.001191 True native_MD 7 72 93 - CB_AB42_8 N_AB42_11 1 0.000000e+00 3.307472e-06 ; 3.112574e-01 -3.307472e-06 1.320989e-01 3.182643e-02 0.000485 0.000060 True native_MD 7 72 94 + CB_AB42_8 N_AB42_11 1 0.000000e+00 3.307428e-06 ; 3.112571e-01 -3.307428e-06 1.320989e-01 3.182643e-02 0.000485 0.000060 True native_MD 7 72 94 CB_AB42_8 CA_AB42_11 1 3.298450e-03 2.101357e-05 ; 4.305580e-01 1.294375e-01 1.707700e-01 6.068300e-02 0.000485 0.001021 True native_MD 7 72 96 CB_AB42_8 CB_AB42_11 1 1.494318e-03 3.932257e-06 ; 3.715636e-01 1.419660e-01 1.797884e-01 5.119460e-02 0.000485 0.001190 True native_MD 7 72 97 CB_AB42_8 CG_AB42_11 1 1.242745e-03 2.920878e-06 ; 3.646324e-01 1.321876e-01 1.698242e-01 6.479611e-02 0.000485 0.001190 True native_MD 7 72 98 - CB_AB42_8 CD_AB42_11 1 0.000000e+00 5.812703e-06 ; 3.262320e-01 -5.812703e-06 1.232149e-01 4.091918e-02 0.000485 0.000060 True native_MD 7 72 99 - CB_AB42_8 OE1_AB42_11 1 0.000000e+00 1.567597e-06 ; 2.924811e-01 -1.567597e-06 6.158095e-02 2.232337e-02 0.000485 0.000060 True native_MD 7 72 100 - CB_AB42_8 OE2_AB42_11 1 0.000000e+00 1.567597e-06 ; 2.924811e-01 -1.567597e-06 6.158095e-02 2.232337e-02 0.000485 0.000060 True native_MD 7 72 101 - CB_AB42_8 C_AB42_11 1 0.000000e+00 6.217217e-06 ; 3.280661e-01 -6.217217e-06 2.709235e-02 8.660954e-03 0.000485 0.000060 True native_MD 7 72 102 + CB_AB42_8 CD_AB42_11 1 0.000000e+00 5.812606e-06 ; 3.262315e-01 -5.812606e-06 1.232149e-01 4.091918e-02 0.000485 0.000060 True native_MD 7 72 99 + CB_AB42_8 OE1_AB42_11 1 0.000000e+00 1.567592e-06 ; 2.924811e-01 -1.567592e-06 6.158095e-02 2.232337e-02 0.000485 0.000060 True native_MD 7 72 100 + CB_AB42_8 OE2_AB42_11 1 0.000000e+00 1.567592e-06 ; 2.924811e-01 -1.567592e-06 6.158095e-02 2.232337e-02 0.000485 0.000060 True native_MD 7 72 101 + CB_AB42_8 C_AB42_11 1 0.000000e+00 6.217113e-06 ; 3.280656e-01 -6.217113e-06 2.709235e-02 8.660954e-03 0.000485 0.000060 True native_MD 7 72 102 CB_AB42_8 O_AB42_11 1 5.091665e-04 5.360714e-07 ; 3.189533e-01 1.209030e-01 1.717785e-02 9.189658e-03 0.000485 0.001191 True native_MD 7 72 103 - CB_AB42_8 N_AB42_12 1 0.000000e+00 3.647140e-06 ; 3.138034e-01 -3.647140e-06 1.266269e-02 4.789767e-03 0.000485 0.000060 True native_MD 7 72 104 + CB_AB42_8 N_AB42_12 1 0.000000e+00 3.647092e-06 ; 3.138031e-01 -3.647092e-06 1.266269e-02 4.789767e-03 0.000485 0.000060 True native_MD 7 72 104 CB_AB42_8 CA_AB42_12 1 3.704322e-03 2.581669e-05 ; 4.370509e-01 1.328791e-01 5.682627e-02 1.821689e-02 0.000485 0.001021 True native_MD 7 72 106 CB_AB42_8 CB_AB42_12 1 1.823318e-03 6.344872e-06 ; 3.892782e-01 1.309911e-01 8.935853e-02 3.031091e-02 0.000485 0.001021 True native_MD 7 72 107 CB_AB42_8 CG1_AB42_12 1 1.460196e-03 3.279549e-06 ; 3.618822e-01 1.625354e-01 7.372433e-02 2.222461e-02 0.000485 0.002332 True native_MD 7 72 108 CB_AB42_8 CG2_AB42_12 1 1.269298e-03 2.688580e-06 ; 3.583658e-01 1.498113e-01 7.008347e-02 3.091791e-02 0.000485 0.002332 True native_MD 7 72 109 - CB_AB42_8 C_AB42_12 1 0.000000e+00 6.259789e-06 ; 3.282527e-01 -6.259789e-06 1.661671e-02 4.906516e-03 0.000485 0.000060 True native_MD 7 72 110 + CB_AB42_8 C_AB42_12 1 0.000000e+00 6.259684e-06 ; 3.282522e-01 -6.259684e-06 1.661671e-02 4.906516e-03 0.000485 0.000060 True native_MD 7 72 110 CB_AB42_8 O_AB42_12 1 5.083270e-04 5.770396e-07 ; 3.229811e-01 1.119491e-01 1.114333e-02 7.793205e-03 0.000485 0.001191 True native_MD 7 72 111 - CB_AB42_8 N_AB42_13 1 0.000000e+00 3.629764e-06 ; 3.136786e-01 -3.629764e-06 1.437280e-02 1.773061e-03 0.000485 0.000060 True native_MD 7 72 112 + CB_AB42_8 N_AB42_13 1 0.000000e+00 3.629716e-06 ; 3.136782e-01 -3.629716e-06 1.437280e-02 1.773061e-03 0.000485 0.000060 True native_MD 7 72 112 CB_AB42_8 CA_AB42_13 1 1.889979e-03 6.847888e-06 ; 3.919072e-01 1.304059e-01 4.699131e-02 1.622133e-02 0.000485 0.001021 True native_MD 7 72 114 CB_AB42_8 CB_AB42_13 1 1.400332e-03 3.693637e-06 ; 3.717097e-01 1.327235e-01 4.639704e-02 1.742105e-02 0.000485 0.001190 True native_MD 7 72 115 - CB_AB42_8 CG_AB42_13 1 0.000000e+00 6.222400e-06 ; 3.280889e-01 -6.222400e-06 3.264529e-02 1.503219e-02 0.000485 0.000060 True native_MD 7 72 116 - CB_AB42_8 ND1_AB42_13 1 0.000000e+00 4.768703e-06 ; 3.208941e-01 -4.768703e-06 3.032537e-02 1.917356e-02 0.000485 0.000060 True native_MD 7 72 117 + CB_AB42_8 CG_AB42_13 1 0.000000e+00 6.222296e-06 ; 3.280884e-01 -6.222296e-06 3.264529e-02 1.503219e-02 0.000485 0.000060 True native_MD 7 72 116 + CB_AB42_8 ND1_AB42_13 1 0.000000e+00 4.768621e-06 ; 3.208936e-01 -4.768621e-06 3.032537e-02 1.917356e-02 0.000485 0.000060 True native_MD 7 72 117 CB_AB42_8 CD2_AB42_13 1 9.030233e-04 1.579294e-06 ; 3.471048e-01 1.290848e-01 2.633469e-02 2.160386e-02 0.000485 0.002332 True native_MD 7 72 118 CB_AB42_8 CE1_AB42_13 1 7.736760e-04 1.216167e-06 ; 3.409879e-01 1.230453e-01 3.183388e-02 3.128854e-02 0.000485 0.002332 True native_MD 7 72 119 - CB_AB42_8 NE2_AB42_13 1 0.000000e+00 4.832148e-06 ; 3.212477e-01 -4.832148e-06 2.454675e-02 2.655091e-02 0.000485 0.000060 True native_MD 7 72 120 - CB_AB42_8 C_AB42_13 1 0.000000e+00 6.221688e-06 ; 3.280857e-01 -6.221688e-06 2.103936e-02 3.313792e-03 0.000485 0.000060 True native_MD 7 72 121 + CB_AB42_8 NE2_AB42_13 1 0.000000e+00 4.832064e-06 ; 3.212472e-01 -4.832064e-06 2.454675e-02 2.655091e-02 0.000485 0.000060 True native_MD 7 72 120 + CB_AB42_8 C_AB42_13 1 0.000000e+00 6.221584e-06 ; 3.280853e-01 -6.221584e-06 2.103936e-02 3.313792e-03 0.000485 0.000060 True native_MD 7 72 121 CB_AB42_8 O_AB42_13 1 4.865130e-04 3.612808e-07 ; 3.009251e-01 1.637887e-01 1.802466e-02 2.671937e-03 0.000485 0.001191 True native_MD 7 72 122 - CB_AB42_8 N_AB42_14 1 0.000000e+00 3.649322e-06 ; 3.138191e-01 -3.649322e-06 8.872938e-03 1.593554e-03 0.000485 0.000060 True native_MD 7 72 123 + CB_AB42_8 N_AB42_14 1 0.000000e+00 3.649274e-06 ; 3.138187e-01 -3.649274e-06 8.872938e-03 1.593554e-03 0.000485 0.000060 True native_MD 7 72 123 CB_AB42_8 CA_AB42_14 1 2.944966e-03 1.448401e-05 ; 4.123837e-01 1.496965e-01 3.766944e-02 7.300373e-03 0.000485 0.001021 True native_MD 7 72 125 CB_AB42_8 CB_AB42_14 1 2.073817e-03 6.826410e-06 ; 3.856888e-01 1.575029e-01 4.602246e-02 8.231988e-03 0.000485 0.001190 True native_MD 7 72 126 - CB_AB42_8 CG_AB42_14 1 0.000000e+00 6.156741e-06 ; 3.277990e-01 -6.156741e-06 3.514413e-02 7.164855e-03 0.000485 0.000060 True native_MD 7 72 127 - CB_AB42_8 ND1_AB42_14 1 0.000000e+00 4.677070e-06 ; 3.203756e-01 -4.677070e-06 3.984952e-02 9.696360e-03 0.000485 0.000060 True native_MD 7 72 128 + CB_AB42_8 CG_AB42_14 1 0.000000e+00 6.156638e-06 ; 3.277985e-01 -6.156638e-06 3.514413e-02 7.164855e-03 0.000485 0.000060 True native_MD 7 72 127 + CB_AB42_8 ND1_AB42_14 1 0.000000e+00 4.676989e-06 ; 3.203752e-01 -4.676989e-06 3.984952e-02 9.696360e-03 0.000485 0.000060 True native_MD 7 72 128 CB_AB42_8 CD2_AB42_14 1 9.691392e-04 1.510144e-06 ; 3.404908e-01 1.554869e-01 3.027882e-02 1.127203e-02 0.000485 0.002332 True native_MD 7 72 129 CB_AB42_8 CE1_AB42_14 1 8.764730e-04 1.303623e-06 ; 3.378591e-01 1.473211e-01 3.601011e-02 1.711655e-02 0.000485 0.002332 True native_MD 7 72 130 - CB_AB42_8 NE2_AB42_14 1 0.000000e+00 4.746300e-06 ; 3.207682e-01 -4.746300e-06 3.172868e-02 1.593115e-02 0.000485 0.000060 True native_MD 7 72 131 - CB_AB42_8 C_AB42_14 1 0.000000e+00 6.266611e-06 ; 3.282825e-01 -6.266611e-06 1.247258e-02 1.839416e-03 0.000485 0.000060 True native_MD 7 72 132 + CB_AB42_8 NE2_AB42_14 1 0.000000e+00 4.746217e-06 ; 3.207677e-01 -4.746217e-06 3.172868e-02 1.593115e-02 0.000485 0.000060 True native_MD 7 72 131 + CB_AB42_8 C_AB42_14 1 0.000000e+00 6.266506e-06 ; 3.282820e-01 -6.266506e-06 1.247258e-02 1.839416e-03 0.000485 0.000060 True native_MD 7 72 132 CB_AB42_8 O_AB42_14 1 5.688214e-04 5.398541e-07 ; 3.134850e-01 1.498358e-01 8.444540e-03 1.900541e-03 0.000485 0.001191 True native_MD 7 72 133 CB_AB42_8 N_AB42_15 1 6.802791e-04 1.621761e-06 ; 3.654965e-01 7.133908e-02 9.057888e-03 1.071166e-03 0.000485 0.000060 True native_MD 7 72 134 CB_AB42_8 CA_AB42_15 1 3.264410e-03 1.743235e-05 ; 4.180792e-01 1.528247e-01 2.387619e-02 4.213711e-03 0.000485 0.001021 True native_MD 7 72 136 CB_AB42_8 CB_AB42_15 1 1.859380e-03 5.930824e-06 ; 3.836700e-01 1.457341e-01 1.462423e-02 3.720175e-03 0.000485 0.001190 True native_MD 7 72 137 CB_AB42_8 CG_AB42_15 1 2.139180e-03 7.684972e-06 ; 3.913504e-01 1.488650e-01 2.492874e-02 5.774300e-03 0.000485 0.001190 True native_MD 7 72 138 - CB_AB42_8 CD_AB42_15 1 0.000000e+00 6.134622e-06 ; 3.277007e-01 -6.134622e-06 3.779035e-02 6.318861e-03 0.000485 0.000060 True native_MD 7 72 139 + CB_AB42_8 CD_AB42_15 1 0.000000e+00 6.134519e-06 ; 3.277002e-01 -6.134519e-06 3.779035e-02 6.318861e-03 0.000485 0.000060 True native_MD 7 72 139 CB_AB42_8 OE1_AB42_15 1 4.755225e-04 3.629476e-07 ; 3.023051e-01 1.557536e-01 2.892544e-02 5.453412e-03 0.000485 0.001191 True native_MD 7 72 140 - CB_AB42_8 NE2_AB42_15 1 0.000000e+00 6.106215e-06 ; 3.275739e-01 -6.106215e-06 4.341479e-02 7.906939e-03 0.000485 0.000060 True native_MD 7 72 141 + CB_AB42_8 NE2_AB42_15 1 0.000000e+00 6.106181e-06 ; 3.275738e-01 -6.106181e-06 4.341479e-02 7.906939e-03 0.000485 0.000060 True native_MD 7 72 141 CB_AB42_8 C_AB42_15 1 1.232439e-03 4.140077e-06 ; 3.869966e-01 9.171970e-02 1.744256e-02 1.120882e-03 0.000485 0.000060 True native_MD 7 72 142 CB_AB42_8 O_AB42_15 1 5.737305e-04 4.263658e-07 ; 3.009625e-01 1.930072e-01 1.925456e-02 1.137476e-03 0.000485 0.001191 True native_MD 7 72 143 CB_AB42_8 N_AB42_16 1 9.298677e-04 2.474436e-06 ; 3.722567e-01 8.735869e-02 6.753771e-03 4.945094e-04 0.000485 0.000060 True native_MD 7 72 144 @@ -19021,7 +19021,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_8 CG_AB42_16 1 2.036393e-03 7.175941e-06 ; 3.900943e-01 1.444722e-01 1.217854e-02 3.217260e-03 0.000485 0.001190 True native_MD 7 72 148 CB_AB42_8 CD_AB42_16 1 2.150060e-03 8.547920e-06 ; 3.980170e-01 1.352013e-01 1.357626e-02 4.733279e-03 0.000485 0.001190 True native_MD 7 72 149 CB_AB42_8 CE_AB42_16 1 2.081088e-03 8.603750e-06 ; 4.006202e-01 1.258442e-01 1.369983e-02 6.319856e-03 0.000485 0.001190 True native_MD 7 72 150 - CB_AB42_8 NZ_AB42_16 1 0.000000e+00 3.659502e-06 ; 3.138919e-01 -3.659502e-06 8.676888e-03 4.166688e-03 0.000485 0.000060 True native_MD 7 72 151 + CB_AB42_8 NZ_AB42_16 1 0.000000e+00 3.659454e-06 ; 3.138916e-01 -3.659454e-06 8.676888e-03 4.166688e-03 0.000485 0.000060 True native_MD 7 72 151 CB_AB42_8 C_AB42_16 1 9.770704e-04 2.892358e-06 ; 3.789260e-01 8.251631e-02 6.901526e-03 5.841283e-04 0.000485 0.000060 True native_MD 7 72 152 CB_AB42_8 O_AB42_16 1 4.389040e-04 3.843508e-07 ; 3.093093e-01 1.253001e-01 2.538439e-03 7.082249e-04 0.000485 0.001191 True native_MD 7 72 153 CB_AB42_8 N_AB42_17 1 1.012701e-03 2.678841e-06 ; 3.718870e-01 9.570960e-02 6.476895e-03 3.693696e-04 0.000485 0.000060 True native_MD 7 72 154 @@ -19037,9 +19037,9 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_8 CB_AB42_18 1 2.565657e-03 1.304018e-05 ; 4.146492e-01 1.261983e-01 7.962434e-03 3.117452e-03 0.000485 0.001021 True native_MD 7 72 166 CB_AB42_8 CG1_AB42_18 1 1.518118e-03 4.104686e-06 ; 3.732465e-01 1.403691e-01 4.061562e-03 2.376867e-03 0.000485 0.002332 True native_MD 7 72 167 CB_AB42_8 CG2_AB42_18 1 1.150095e-03 2.189682e-06 ; 3.520529e-01 1.510171e-01 6.350396e-03 2.702235e-03 0.000485 0.002332 True native_MD 7 72 168 - CB_AB42_8 C_AB42_18 1 0.000000e+00 6.325741e-06 ; 3.285395e-01 -6.325741e-06 1.699318e-03 4.014911e-04 0.000485 0.000060 True native_MD 7 72 169 + CB_AB42_8 C_AB42_18 1 0.000000e+00 6.325634e-06 ; 3.285391e-01 -6.325634e-06 1.699318e-03 4.014911e-04 0.000485 0.000060 True native_MD 7 72 169 CB_AB42_8 O_AB42_18 1 2.491630e-04 1.433024e-07 ; 2.883777e-01 1.083063e-01 1.526527e-03 4.498143e-04 0.000485 0.001191 True native_MD 7 72 170 - CB_AB42_8 N_AB42_19 1 0.000000e+00 3.671593e-06 ; 3.139782e-01 -3.671593e-06 1.440805e-03 2.197642e-04 0.000485 0.000060 True native_MD 7 72 171 + CB_AB42_8 N_AB42_19 1 0.000000e+00 3.671545e-06 ; 3.139779e-01 -3.671545e-06 1.440805e-03 2.197642e-04 0.000485 0.000060 True native_MD 7 72 171 CB_AB42_8 CA_AB42_19 1 3.827226e-03 3.064150e-05 ; 4.472712e-01 1.195083e-01 4.432352e-03 2.119997e-03 0.000485 0.001021 True native_MD 7 72 173 CB_AB42_8 CB_AB42_19 1 1.121952e-03 2.428703e-06 ; 3.596665e-01 1.295730e-01 5.251995e-03 2.166980e-03 0.000485 0.001190 True native_MD 7 72 174 CB_AB42_8 CG_AB42_19 1 1.246119e-03 2.772838e-06 ; 3.613218e-01 1.400021e-01 3.941346e-03 1.740148e-03 0.000485 0.002332 True native_MD 7 72 175 @@ -19048,9 +19048,9 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_8 CE1_AB42_19 1 1.020750e-03 1.933674e-06 ; 3.517580e-01 1.347086e-01 6.133262e-03 4.252098e-03 0.000485 0.002332 True native_MD 7 72 178 CB_AB42_8 CE2_AB42_19 1 1.020750e-03 1.933674e-06 ; 3.517580e-01 1.347086e-01 6.133262e-03 4.252098e-03 0.000485 0.002332 True native_MD 7 72 179 CB_AB42_8 CZ_AB42_19 1 1.000209e-03 1.825471e-06 ; 3.495806e-01 1.370082e-01 7.695555e-03 4.980414e-03 0.000485 0.002332 True native_MD 7 72 180 - CB_AB42_8 C_AB42_19 1 0.000000e+00 6.328557e-06 ; 3.285517e-01 -6.328557e-06 1.479625e-03 6.264798e-04 0.000485 0.000060 True native_MD 7 72 181 + CB_AB42_8 C_AB42_19 1 0.000000e+00 6.328451e-06 ; 3.285512e-01 -6.328451e-06 1.479625e-03 6.264798e-04 0.000485 0.000060 True native_MD 7 72 181 CB_AB42_8 O_AB42_19 1 3.245183e-04 2.522064e-07 ; 3.032165e-01 1.043908e-01 1.357739e-03 6.786759e-04 0.000485 0.001191 True native_MD 7 72 182 - CB_AB42_8 N_AB42_20 1 0.000000e+00 3.674912e-06 ; 3.140019e-01 -3.674912e-06 5.507584e-04 2.325414e-04 0.000485 0.000060 True native_MD 7 72 183 + CB_AB42_8 N_AB42_20 1 0.000000e+00 3.674864e-06 ; 3.140015e-01 -3.674864e-06 5.507584e-04 2.325414e-04 0.000485 0.000060 True native_MD 7 72 183 CB_AB42_8 CA_AB42_20 1 3.215596e-03 2.294482e-05 ; 4.387703e-01 1.126622e-01 3.505575e-03 2.057963e-03 0.000485 0.001021 True native_MD 7 72 185 CB_AB42_8 CB_AB42_20 1 1.503576e-03 4.673630e-06 ; 3.820218e-01 1.209306e-01 4.435376e-03 2.370190e-03 0.000485 0.001190 True native_MD 7 72 186 CB_AB42_8 CG_AB42_20 1 9.666071e-04 1.660469e-06 ; 3.460696e-01 1.406725e-01 4.021214e-03 1.864057e-03 0.000485 0.002332 True native_MD 7 72 187 @@ -19059,54 +19059,54 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_8 CE1_AB42_20 1 1.102464e-03 2.031091e-06 ; 3.501285e-01 1.496027e-01 7.997020e-03 3.550318e-03 0.000485 0.002332 True native_MD 7 72 190 CB_AB42_8 CE2_AB42_20 1 1.102464e-03 2.031091e-06 ; 3.501285e-01 1.496027e-01 7.997020e-03 3.550318e-03 0.000485 0.002332 True native_MD 7 72 191 CB_AB42_8 CZ_AB42_20 1 1.172366e-03 2.333384e-06 ; 3.546668e-01 1.472584e-01 9.744571e-03 4.640546e-03 0.000485 0.002332 True native_MD 7 72 192 - CB_AB42_8 C_AB42_20 1 0.000000e+00 6.333029e-06 ; 3.285710e-01 -6.333029e-06 1.164605e-03 1.017387e-03 0.000485 0.000060 True native_MD 7 72 193 + CB_AB42_8 C_AB42_20 1 0.000000e+00 6.332922e-06 ; 3.285706e-01 -6.332922e-06 1.164605e-03 1.017387e-03 0.000485 0.000060 True native_MD 7 72 193 CB_AB42_8 O_AB42_20 1 2.845296e-04 2.077748e-07 ; 3.000850e-01 9.740962e-02 1.101752e-03 9.074738e-04 0.000485 0.001191 True native_MD 7 72 194 - CB_AB42_8 N_AB42_21 1 0.000000e+00 3.674851e-06 ; 3.140014e-01 -3.674851e-06 6.834225e-04 3.485848e-04 0.000485 0.000060 True native_MD 7 72 195 + CB_AB42_8 N_AB42_21 1 0.000000e+00 3.674802e-06 ; 3.140011e-01 -3.674802e-06 6.834225e-04 3.485848e-04 0.000485 0.000060 True native_MD 7 72 195 CB_AB42_8 CA_AB42_21 1 1.970415e-03 9.133980e-06 ; 4.083354e-01 1.062663e-01 3.239198e-03 2.302719e-03 0.000485 0.001021 True native_MD 7 72 197 CB_AB42_8 CB_AB42_21 1 1.216334e-03 2.945155e-06 ; 3.664454e-01 1.255849e-01 2.820023e-03 2.568672e-03 0.000485 0.002332 True native_MD 7 72 198 - CB_AB42_8 C_AB42_21 1 0.000000e+00 6.331797e-06 ; 3.285657e-01 -6.331797e-06 8.262520e-04 4.846461e-04 0.000485 0.000060 True native_MD 7 72 199 + CB_AB42_8 C_AB42_21 1 0.000000e+00 6.331691e-06 ; 3.285653e-01 -6.331691e-06 8.262520e-04 4.846461e-04 0.000485 0.000060 True native_MD 7 72 199 CB_AB42_8 O_AB42_21 1 2.521883e-04 1.929146e-07 ; 3.024174e-01 8.241851e-02 7.034761e-04 6.138649e-04 0.000485 0.001191 True native_MD 7 72 200 - CB_AB42_8 N_AB42_22 1 0.000000e+00 3.674149e-06 ; 3.139964e-01 -3.674149e-06 7.593222e-04 2.335681e-04 0.000485 0.000060 True native_MD 7 72 201 + CB_AB42_8 N_AB42_22 1 0.000000e+00 3.674101e-06 ; 3.139961e-01 -3.674101e-06 7.593222e-04 2.335681e-04 0.000485 0.000060 True native_MD 7 72 201 CB_AB42_8 CA_AB42_22 1 2.867644e-03 1.670992e-05 ; 4.242041e-01 1.230314e-01 2.794566e-03 1.202893e-03 0.000485 0.001021 True native_MD 7 72 203 CB_AB42_8 CB_AB42_22 1 2.081752e-03 7.838389e-06 ; 3.944267e-01 1.382201e-01 3.862547e-03 1.230328e-03 0.000485 0.001190 True native_MD 7 72 204 CB_AB42_8 CG_AB42_22 1 1.344493e-03 3.286125e-06 ; 3.670182e-01 1.375222e-01 5.630948e-03 1.831466e-03 0.000485 0.001190 True native_MD 7 72 205 - CB_AB42_8 CD_AB42_22 1 0.000000e+00 6.313330e-06 ; 3.284858e-01 -6.313330e-06 5.252988e-03 1.995800e-03 0.000485 0.000060 True native_MD 7 72 206 - CB_AB42_8 OE1_AB42_22 1 0.000000e+00 1.627647e-06 ; 2.933988e-01 -1.627647e-06 3.858123e-03 1.403409e-03 0.000485 0.000060 True native_MD 7 72 207 - CB_AB42_8 OE2_AB42_22 1 0.000000e+00 1.627647e-06 ; 2.933988e-01 -1.627647e-06 3.858123e-03 1.403409e-03 0.000485 0.000060 True native_MD 7 72 208 - CB_AB42_8 C_AB42_22 1 0.000000e+00 6.329736e-06 ; 3.285568e-01 -6.329736e-06 1.142841e-03 4.758224e-04 0.000485 0.000060 True native_MD 7 72 209 + CB_AB42_8 CD_AB42_22 1 0.000000e+00 6.313224e-06 ; 3.284853e-01 -6.313224e-06 5.252988e-03 1.995800e-03 0.000485 0.000060 True native_MD 7 72 206 + CB_AB42_8 OE1_AB42_22 1 0.000000e+00 1.627641e-06 ; 2.933987e-01 -1.627641e-06 3.858123e-03 1.403409e-03 0.000485 0.000060 True native_MD 7 72 207 + CB_AB42_8 OE2_AB42_22 1 0.000000e+00 1.627641e-06 ; 2.933987e-01 -1.627641e-06 3.858123e-03 1.403409e-03 0.000485 0.000060 True native_MD 7 72 208 + CB_AB42_8 C_AB42_22 1 0.000000e+00 6.329630e-06 ; 3.285563e-01 -6.329630e-06 1.142841e-03 4.758224e-04 0.000485 0.000060 True native_MD 7 72 209 CB_AB42_8 O_AB42_22 1 4.008489e-04 4.165712e-07 ; 3.182620e-01 9.642997e-02 1.069921e-03 6.188818e-04 0.000485 0.001191 True native_MD 7 72 210 - CB_AB42_8 N_AB42_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 72 211 + CB_AB42_8 N_AB42_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 72 211 CB_AB42_8 CA_AB42_23 1 2.736638e-03 1.712759e-05 ; 4.292858e-01 1.093146e-01 1.779219e-03 1.154555e-03 0.000485 0.001021 True native_MD 7 72 213 CB_AB42_8 CB_AB42_23 1 1.105954e-03 2.871442e-06 ; 3.707324e-01 1.064913e-01 1.714703e-03 1.411576e-03 0.000485 0.001190 True native_MD 7 72 214 - CB_AB42_8 CG_AB42_23 1 0.000000e+00 6.333806e-06 ; 3.285744e-01 -6.333806e-06 1.456563e-03 1.432154e-03 0.000485 0.000060 True native_MD 7 72 215 - CB_AB42_8 OD1_AB42_23 1 0.000000e+00 1.631075e-06 ; 2.934503e-01 -1.631075e-06 1.184139e-03 8.304162e-04 0.000485 0.000060 True native_MD 7 72 216 - CB_AB42_8 OD2_AB42_23 1 0.000000e+00 1.631075e-06 ; 2.934503e-01 -1.631075e-06 1.184139e-03 8.304162e-04 0.000485 0.000060 True native_MD 7 72 217 - CB_AB42_8 C_AB42_23 1 0.000000e+00 6.331967e-06 ; 3.285665e-01 -6.331967e-06 6.831581e-04 3.682935e-04 0.000485 0.000060 True native_MD 7 72 218 + CB_AB42_8 CG_AB42_23 1 0.000000e+00 6.333700e-06 ; 3.285739e-01 -6.333700e-06 1.456563e-03 1.432154e-03 0.000485 0.000060 True native_MD 7 72 215 + CB_AB42_8 OD1_AB42_23 1 0.000000e+00 1.631069e-06 ; 2.934502e-01 -1.631069e-06 1.184139e-03 8.304162e-04 0.000485 0.000060 True native_MD 7 72 216 + CB_AB42_8 OD2_AB42_23 1 0.000000e+00 1.631069e-06 ; 2.934502e-01 -1.631069e-06 1.184139e-03 8.304162e-04 0.000485 0.000060 True native_MD 7 72 217 + CB_AB42_8 C_AB42_23 1 0.000000e+00 6.331860e-06 ; 3.285660e-01 -6.331860e-06 6.831581e-04 3.682935e-04 0.000485 0.000060 True native_MD 7 72 218 CB_AB42_8 O_AB42_23 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 4.318787e-04 4.381190e-04 0.000485 0.001191 True native_MD 7 72 219 - CB_AB42_8 N_AB42_24 1 0.000000e+00 3.674734e-06 ; 3.140006e-01 -3.674734e-06 5.245902e-04 1.578770e-04 0.000485 0.000060 True native_MD 7 72 220 + CB_AB42_8 N_AB42_24 1 0.000000e+00 3.674685e-06 ; 3.140003e-01 -3.674685e-06 5.245902e-04 1.578770e-04 0.000485 0.000060 True native_MD 7 72 220 CB_AB42_8 CA_AB42_24 1 4.270761e-03 2.952494e-05 ; 4.364629e-01 1.544406e-01 6.071508e-03 9.963053e-04 0.000485 0.001021 True native_MD 7 72 222 CB_AB42_8 CB_AB42_24 1 2.836914e-03 1.236759e-05 ; 4.041785e-01 1.626848e-01 1.111544e-02 1.460418e-03 0.000485 0.001021 True native_MD 7 72 223 CB_AB42_8 CG1_AB42_24 1 1.700255e-03 4.184064e-06 ; 3.674351e-01 1.727309e-01 1.049565e-02 1.341199e-03 0.000485 0.002332 True native_MD 7 72 224 CB_AB42_8 CG2_AB42_24 1 1.395578e-03 2.981906e-06 ; 3.588861e-01 1.632881e-01 7.911973e-03 1.194861e-03 0.000485 0.002332 True native_MD 7 72 225 - CB_AB42_8 C_AB42_24 1 0.000000e+00 6.320353e-06 ; 3.285162e-01 -6.320353e-06 2.609029e-03 4.606270e-04 0.000485 0.000060 True native_MD 7 72 226 + CB_AB42_8 C_AB42_24 1 0.000000e+00 6.320247e-06 ; 3.285157e-01 -6.320247e-06 2.609029e-03 4.606270e-04 0.000485 0.000060 True native_MD 7 72 226 CB_AB42_8 O_AB42_24 1 3.127678e-04 2.128505e-07 ; 2.965802e-01 1.148971e-01 1.859359e-03 4.386960e-04 0.000485 0.001191 True native_MD 7 72 227 - CB_AB42_8 N_AB42_25 1 0.000000e+00 3.668300e-06 ; 3.139548e-01 -3.668300e-06 2.634275e-03 5.173784e-04 0.000485 0.000060 True native_MD 7 72 228 + CB_AB42_8 N_AB42_25 1 0.000000e+00 3.668252e-06 ; 3.139544e-01 -3.668252e-06 2.634275e-03 5.173784e-04 0.000485 0.000060 True native_MD 7 72 228 CB_AB42_8 CA_AB42_25 1 1.631788e-03 4.747733e-06 ; 3.778364e-01 1.402107e-01 4.661124e-03 1.398837e-03 0.000485 0.001190 True native_MD 7 72 230 - CB_AB42_8 C_AB42_25 1 0.000000e+00 6.320858e-06 ; 3.285184e-01 -6.320858e-06 2.999063e-03 9.304129e-04 0.000485 0.000060 True native_MD 7 72 231 + CB_AB42_8 C_AB42_25 1 0.000000e+00 6.320752e-06 ; 3.285179e-01 -6.320752e-06 2.999063e-03 9.304129e-04 0.000485 0.000060 True native_MD 7 72 231 CB_AB42_8 O_AB42_25 1 4.538249e-04 4.324574e-07 ; 3.136961e-01 1.190621e-01 2.106170e-03 6.927219e-04 0.000485 0.001191 True native_MD 7 72 232 CB_AB42_8 N_AB42_26 1 1.003531e-03 3.363579e-06 ; 3.868523e-01 7.485137e-02 1.235379e-03 1.315170e-04 0.000485 0.000060 True native_MD 7 72 233 CB_AB42_8 CA_AB42_26 1 2.336098e-03 1.052955e-05 ; 4.064307e-01 1.295723e-01 3.348643e-03 1.185145e-03 0.000485 0.001021 True native_MD 7 72 235 CB_AB42_8 CB_AB42_26 1 1.944390e-03 7.459076e-06 ; 3.956552e-01 1.267132e-01 2.967830e-03 1.333943e-03 0.000485 0.001190 True native_MD 7 72 236 - CB_AB42_8 OG_AB42_26 1 0.000000e+00 2.781239e-06 ; 3.067949e-01 -2.781239e-06 1.634624e-03 8.202634e-04 0.000485 0.000060 True native_MD 7 72 237 - CB_AB42_8 C_AB42_26 1 0.000000e+00 6.326943e-06 ; 3.285447e-01 -6.326943e-06 1.479907e-03 3.718593e-04 0.000485 0.000060 True native_MD 7 72 238 + CB_AB42_8 OG_AB42_26 1 0.000000e+00 2.781197e-06 ; 3.067946e-01 -2.781197e-06 1.634624e-03 8.202634e-04 0.000485 0.000060 True native_MD 7 72 237 + CB_AB42_8 C_AB42_26 1 0.000000e+00 6.326837e-06 ; 3.285443e-01 -6.326837e-06 1.479907e-03 3.718593e-04 0.000485 0.000060 True native_MD 7 72 238 CB_AB42_8 O_AB42_26 1 3.477131e-04 3.167833e-07 ; 3.113557e-01 9.541568e-02 1.037933e-03 2.911470e-04 0.000485 0.001191 True native_MD 7 72 239 - CB_AB42_8 N_AB42_27 1 0.000000e+00 3.673949e-06 ; 3.139950e-01 -3.673949e-06 7.119799e-04 1.319195e-04 0.000485 0.000060 True native_MD 7 72 240 + CB_AB42_8 N_AB42_27 1 0.000000e+00 3.673901e-06 ; 3.139947e-01 -3.673901e-06 7.119799e-04 1.319195e-04 0.000485 0.000060 True native_MD 7 72 240 CB_AB42_8 CA_AB42_27 1 3.647894e-03 2.400693e-05 ; 4.328948e-01 1.385760e-01 3.776672e-03 8.720729e-04 0.000485 0.001021 True native_MD 7 72 242 CB_AB42_8 CB_AB42_27 1 1.493471e-03 4.221747e-06 ; 3.760243e-01 1.320813e-01 3.109570e-03 7.573595e-04 0.000485 0.001190 True native_MD 7 72 243 - CB_AB42_8 CG_AB42_27 1 0.000000e+00 6.320218e-06 ; 3.285156e-01 -6.320218e-06 2.778451e-03 6.087256e-04 0.000485 0.000060 True native_MD 7 72 244 + CB_AB42_8 CG_AB42_27 1 0.000000e+00 6.320112e-06 ; 3.285151e-01 -6.320112e-06 2.778451e-03 6.087256e-04 0.000485 0.000060 True native_MD 7 72 244 CB_AB42_8 OD1_AB42_27 1 4.243734e-04 3.804269e-07 ; 3.105183e-01 1.183491e-01 2.061709e-03 5.672081e-04 0.000485 0.001191 True native_MD 7 72 245 - CB_AB42_8 ND2_AB42_27 1 0.000000e+00 6.317957e-06 ; 3.285058e-01 -6.317957e-06 2.758523e-03 6.958122e-04 0.000485 0.000060 True native_MD 7 72 246 - CB_AB42_8 C_AB42_27 1 0.000000e+00 6.321367e-06 ; 3.285206e-01 -6.321367e-06 2.319639e-03 3.312780e-04 0.000485 0.000060 True native_MD 7 72 247 + CB_AB42_8 ND2_AB42_27 1 0.000000e+00 6.317921e-06 ; 3.285057e-01 -6.317921e-06 2.758523e-03 6.958122e-04 0.000485 0.000060 True native_MD 7 72 246 + CB_AB42_8 C_AB42_27 1 0.000000e+00 6.321261e-06 ; 3.285201e-01 -6.321261e-06 2.319639e-03 3.312780e-04 0.000485 0.000060 True native_MD 7 72 247 CB_AB42_8 O_AB42_27 1 4.543759e-04 4.312588e-07 ; 3.134877e-01 1.196830e-01 2.145676e-03 3.496815e-04 0.000485 0.001191 True native_MD 7 72 248 CB_AB42_8 N_AB42_28 1 9.328288e-04 2.720665e-06 ; 3.779887e-01 7.995928e-02 1.445870e-03 1.321068e-04 0.000485 0.000060 True native_MD 7 72 249 CB_AB42_8 CA_AB42_28 1 2.745594e-03 1.208343e-05 ; 4.048173e-01 1.559632e-01 6.354559e-03 5.839170e-04 0.000485 0.001021 True native_MD 7 72 251 @@ -19114,12 +19114,12 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_8 CG_AB42_28 1 2.677845e-03 1.178480e-05 ; 4.048146e-01 1.521208e-01 5.664310e-03 5.914203e-04 0.000485 0.001190 True native_MD 7 72 253 CB_AB42_8 CD_AB42_28 1 2.544372e-03 1.059129e-05 ; 4.010773e-01 1.528102e-01 5.782386e-03 1.076570e-03 0.000485 0.001190 True native_MD 7 72 254 CB_AB42_8 CE_AB42_28 1 1.994595e-03 6.518728e-06 ; 3.852282e-01 1.525761e-01 6.175745e-03 1.280137e-03 0.000485 0.001190 True native_MD 7 72 255 - CB_AB42_8 NZ_AB42_28 1 0.000000e+00 3.668170e-06 ; 3.139538e-01 -3.668170e-06 2.982532e-03 8.302934e-04 0.000485 0.000060 True native_MD 7 72 256 + CB_AB42_8 NZ_AB42_28 1 0.000000e+00 3.668122e-06 ; 3.139535e-01 -3.668122e-06 2.982532e-03 8.302934e-04 0.000485 0.000060 True native_MD 7 72 256 CB_AB42_8 C_AB42_28 1 6.589213e-04 1.475439e-06 ; 3.616995e-01 7.356747e-02 3.801865e-03 4.205957e-04 0.000485 0.000060 True native_MD 7 72 257 CB_AB42_8 O_AB42_28 1 3.381860e-04 2.298501e-07 ; 2.965160e-01 1.243960e-01 2.470683e-03 3.080804e-04 0.000485 0.001191 True native_MD 7 72 258 CB_AB42_8 N_AB42_29 1 5.049409e-04 8.256095e-07 ; 3.432330e-01 7.720518e-02 3.240610e-03 3.215265e-04 0.000485 0.000060 True native_MD 7 72 259 CB_AB42_8 CA_AB42_29 1 1.896436e-03 6.039840e-06 ; 3.835729e-01 1.488644e-01 5.588496e-03 1.294500e-03 0.000485 0.001190 True native_MD 7 72 261 - CB_AB42_8 C_AB42_29 1 0.000000e+00 6.314077e-06 ; 3.284890e-01 -6.314077e-06 3.735629e-03 5.964034e-04 0.000485 0.000060 True native_MD 7 72 262 + CB_AB42_8 C_AB42_29 1 0.000000e+00 6.313971e-06 ; 3.284885e-01 -6.313971e-06 3.735629e-03 5.964034e-04 0.000485 0.000060 True native_MD 7 72 262 CB_AB42_8 O_AB42_29 1 3.926671e-04 2.947184e-07 ; 3.014605e-01 1.307922e-01 2.991891e-03 5.456552e-04 0.000485 0.001191 True native_MD 7 72 263 CB_AB42_8 N_AB42_30 1 1.371977e-03 4.701965e-06 ; 3.882893e-01 1.000816e-01 2.996757e-03 1.499423e-04 0.000485 0.000060 True native_MD 7 72 264 CB_AB42_8 CA_AB42_30 1 3.356385e-03 1.768649e-05 ; 4.171526e-01 1.592362e-01 7.008471e-03 8.892363e-04 0.000485 0.001021 True native_MD 7 72 266 @@ -19142,7 +19142,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_8 CD_AB42_32 1 1.418091e-03 2.948616e-06 ; 3.572611e-01 1.705021e-01 9.818441e-03 1.002084e-03 0.000485 0.002332 True native_MD 7 72 285 CB_AB42_8 C_AB42_32 1 9.534603e-04 2.718893e-06 ; 3.765722e-01 8.358977e-02 3.969635e-03 3.253586e-04 0.000485 0.000060 True native_MD 7 72 286 CB_AB42_8 O_AB42_32 1 4.303178e-04 3.234874e-07 ; 3.015398e-01 1.431072e-01 4.325133e-03 3.763670e-04 0.000485 0.001191 True native_MD 7 72 287 - CB_AB42_8 N_AB42_33 1 0.000000e+00 3.665239e-06 ; 3.139329e-01 -3.665239e-06 3.386597e-03 4.371286e-04 0.000485 0.000060 True native_MD 7 72 288 + CB_AB42_8 N_AB42_33 1 0.000000e+00 3.665191e-06 ; 3.139326e-01 -3.665191e-06 3.386597e-03 4.371286e-04 0.000485 0.000060 True native_MD 7 72 288 CB_AB42_8 CA_AB42_33 1 2.256516e-03 7.272998e-06 ; 3.843373e-01 1.750264e-01 1.124198e-02 9.619840e-04 0.000485 0.001190 True native_MD 7 72 290 CB_AB42_8 C_AB42_33 1 9.742132e-04 2.550293e-06 ; 3.712411e-01 9.303749e-02 9.237082e-03 5.706339e-04 0.000485 0.000060 True native_MD 7 72 291 CB_AB42_8 O_AB42_33 1 4.901929e-04 3.986927e-07 ; 3.055239e-01 1.506731e-01 5.424149e-03 4.543644e-04 0.000485 0.001191 True native_MD 7 72 292 @@ -19202,19 +19202,19 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_8 N_AB42_42 1 1.212407e-03 3.261426e-06 ; 3.729293e-01 1.126754e-01 3.513708e-03 1.206037e-04 0.000485 0.000060 True native_MD 7 72 354 CB_AB42_8 CA_AB42_42 1 2.836024e-03 1.218381e-05 ; 4.031923e-01 1.650353e-01 8.336663e-03 9.364261e-04 0.000485 0.001021 True native_MD 7 72 356 CB_AB42_8 CB_AB42_42 1 1.464625e-03 3.290616e-06 ; 3.619027e-01 1.629731e-01 7.837729e-03 5.751281e-04 0.000485 0.002332 True native_MD 7 72 357 - CB_AB42_8 C_AB42_42 1 0.000000e+00 6.317772e-06 ; 3.285050e-01 -6.317772e-06 3.138459e-03 5.825718e-04 0.000485 0.000060 True native_MD 7 72 358 - CB_AB42_8 O1_AB42_42 1 0.000000e+00 1.629093e-06 ; 2.934205e-01 -1.629093e-06 2.072294e-03 5.036954e-04 0.000485 0.000060 True native_MD 7 72 359 - CB_AB42_8 O2_AB42_42 1 0.000000e+00 1.629093e-06 ; 2.934205e-01 -1.629093e-06 2.072294e-03 5.036954e-04 0.000485 0.000060 True native_MD 7 72 360 - OG_AB42_8 O_AB42_8 1 0.000000e+00 3.159075e-07 ; 2.559322e-01 -3.159075e-07 7.343065e-01 6.036027e-01 0.000485 0.000060 True native_MD 4 73 75 - OG_AB42_8 N_AB42_9 1 0.000000e+00 6.052848e-07 ; 2.701832e-01 -6.052848e-07 7.110780e-01 6.243473e-01 0.000485 0.000060 True native_MD 4 73 76 - OG_AB42_8 H_AB42_9 1 0.000000e+00 1.608741e-08 ; 1.996958e-01 -1.608741e-08 3.805356e-01 1.313370e-01 0.000485 0.000060 True native_MD 5 73 77 - OG_AB42_8 CA_AB42_9 1 0.000000e+00 2.090014e-06 ; 2.995763e-01 -2.090014e-06 5.975498e-01 3.484067e-01 0.000485 0.000060 True native_MD 5 73 78 - OG_AB42_8 C_AB42_9 1 0.000000e+00 9.206323e-07 ; 2.797921e-01 -9.206323e-07 2.625169e-01 6.870252e-02 0.000485 0.000060 True native_MD 6 73 79 + CB_AB42_8 C_AB42_42 1 0.000000e+00 6.317666e-06 ; 3.285046e-01 -6.317666e-06 3.138459e-03 5.825718e-04 0.000485 0.000060 True native_MD 7 72 358 + CB_AB42_8 O1_AB42_42 1 0.000000e+00 1.629087e-06 ; 2.934204e-01 -1.629087e-06 2.072294e-03 5.036954e-04 0.000485 0.000060 True native_MD 7 72 359 + CB_AB42_8 O2_AB42_42 1 0.000000e+00 1.629087e-06 ; 2.934204e-01 -1.629087e-06 2.072294e-03 5.036954e-04 0.000485 0.000060 True native_MD 7 72 360 + OG_AB42_8 O_AB42_8 1 0.000000e+00 3.159067e-07 ; 2.559322e-01 -3.159067e-07 7.343065e-01 6.036027e-01 0.000485 0.000060 True native_MD 4 73 75 + OG_AB42_8 N_AB42_9 1 0.000000e+00 6.052774e-07 ; 2.701829e-01 -6.052774e-07 7.110780e-01 6.243473e-01 0.000485 0.000060 True native_MD 4 73 76 + OG_AB42_8 H_AB42_9 1 0.000000e+00 1.608748e-08 ; 1.996958e-01 -1.608748e-08 3.805356e-01 1.313370e-01 0.000485 0.000060 True native_MD 5 73 77 + OG_AB42_8 CA_AB42_9 1 0.000000e+00 2.089983e-06 ; 2.995759e-01 -2.089983e-06 5.975498e-01 3.484067e-01 0.000485 0.000060 True native_MD 5 73 78 + OG_AB42_8 C_AB42_9 1 0.000000e+00 9.206176e-07 ; 2.797918e-01 -9.206176e-07 2.625169e-01 6.870252e-02 0.000485 0.000060 True native_MD 6 73 79 OG_AB42_8 O_AB42_9 1 1.961309e-04 6.835719e-08 ; 2.652811e-01 1.406850e-01 4.800379e-02 2.584852e-02 0.000485 0.002166 True native_MD 7 73 80 OG_AB42_8 N_AB42_10 1 2.486201e-04 1.051922e-07 ; 2.739941e-01 1.469023e-01 2.841104e-01 1.270100e-01 0.000485 0.002166 True native_MD 7 73 81 OG_AB42_8 H_AB42_10 1 1.696657e-05 3.865176e-10 ; 1.683692e-01 1.861910e-01 2.697677e-01 9.133316e-02 0.000485 0.005316 True native_MD 7 73 82 OG_AB42_8 CA_AB42_10 1 7.295105e-04 1.036544e-06 ; 3.352942e-01 1.283558e-01 2.851910e-01 1.372729e-01 0.000485 0.001339 True native_MD 7 73 83 - OG_AB42_8 CB_AB42_10 1 0.000000e+00 2.397569e-06 ; 3.030232e-01 -2.397569e-06 2.492778e-01 1.106266e-01 0.000485 0.000060 True native_MD 7 73 84 + OG_AB42_8 CB_AB42_10 1 0.000000e+00 2.397533e-06 ; 3.030229e-01 -2.397533e-06 2.492778e-01 1.106266e-01 0.000485 0.000060 True native_MD 7 73 84 OG_AB42_8 CG_AB42_10 1 1.088278e-03 1.748097e-06 ; 3.422191e-01 1.693768e-01 1.802552e-01 6.283821e-02 0.000485 0.003309 True native_MD 7 73 85 OG_AB42_8 CD1_AB42_10 1 5.425509e-04 4.790119e-07 ; 3.097307e-01 1.536295e-01 1.193043e-01 6.662764e-02 0.000485 0.003309 True native_MD 7 73 86 OG_AB42_8 CD2_AB42_10 1 5.425509e-04 4.790119e-07 ; 3.097307e-01 1.536295e-01 1.193043e-01 6.662764e-02 0.000485 0.003309 True native_MD 7 73 87 @@ -19227,8 +19227,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OG_AB42_8 N_AB42_11 1 3.491259e-04 1.648285e-07 ; 2.790455e-01 1.848723e-01 1.070746e-01 1.536579e-02 0.000485 0.002166 True native_MD 7 73 94 OG_AB42_8 H_AB42_11 1 1.726866e-05 3.302912e-10 ; 1.635334e-01 2.257150e-01 6.753841e-02 7.006614e-03 0.000485 0.005316 True native_MD 7 73 95 OG_AB42_8 CA_AB42_11 1 1.296497e-03 2.778877e-06 ; 3.590732e-01 1.512217e-01 1.067455e-01 2.591901e-02 0.000485 0.001339 True native_MD 7 73 96 - OG_AB42_8 CB_AB42_11 1 0.000000e+00 2.557108e-06 ; 3.046544e-01 -2.557108e-06 1.040649e-01 2.272947e-02 0.000485 0.000060 True native_MD 7 73 97 - OG_AB42_8 CG_AB42_11 1 0.000000e+00 2.580997e-06 ; 3.048905e-01 -2.580997e-06 1.025023e-01 2.974925e-02 0.000485 0.000060 True native_MD 7 73 98 + OG_AB42_8 CB_AB42_11 1 0.000000e+00 2.557070e-06 ; 3.046540e-01 -2.557070e-06 1.040649e-01 2.272947e-02 0.000485 0.000060 True native_MD 7 73 97 + OG_AB42_8 CG_AB42_11 1 0.000000e+00 2.580959e-06 ; 3.048902e-01 -2.580959e-06 1.025023e-01 2.974925e-02 0.000485 0.000060 True native_MD 7 73 98 OG_AB42_8 CD_AB42_11 1 4.149245e-04 2.880116e-07 ; 2.975593e-01 1.494404e-01 4.701198e-02 1.947900e-02 0.000485 0.002166 True native_MD 7 73 99 OG_AB42_8 OE1_AB42_11 1 9.608344e-05 1.683647e-08 ; 2.365559e-01 1.370838e-01 2.143843e-02 1.285760e-02 0.000485 0.002166 True native_MD 7 73 100 OG_AB42_8 OE2_AB42_11 1 9.608344e-05 1.683647e-08 ; 2.365559e-01 1.370838e-01 2.143843e-02 1.285760e-02 0.000485 0.002166 True native_MD 7 73 101 @@ -19237,15 +19237,15 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OG_AB42_8 N_AB42_12 1 2.434645e-04 1.117922e-07 ; 2.777555e-01 1.325561e-01 3.361815e-03 2.308755e-03 0.000485 0.002166 True native_MD 7 73 104 OG_AB42_8 H_AB42_12 1 1.237798e-05 3.626837e-10 ; 1.755819e-01 1.056116e-01 1.408258e-03 3.847412e-04 0.000485 0.005316 True native_MD 7 73 105 OG_AB42_8 CA_AB42_12 1 1.205901e-03 2.802809e-06 ; 3.639544e-01 1.297089e-01 1.554957e-02 7.187551e-03 0.000485 0.001339 True native_MD 7 73 106 - OG_AB42_8 CB_AB42_12 1 0.000000e+00 5.549645e-06 ; 3.249754e-01 -5.549645e-06 4.600582e-02 1.356135e-02 0.000485 0.000060 True native_MD 7 73 107 - OG_AB42_8 CG1_AB42_12 1 0.000000e+00 2.009322e-06 ; 2.985949e-01 -2.009322e-06 4.327093e-02 1.072066e-02 0.000485 0.000060 True native_MD 7 73 108 - OG_AB42_8 CG2_AB42_12 1 0.000000e+00 2.034072e-06 ; 2.988997e-01 -2.034072e-06 3.585321e-02 1.521959e-02 0.000485 0.000060 True native_MD 7 73 109 + OG_AB42_8 CB_AB42_12 1 0.000000e+00 5.549626e-06 ; 3.249753e-01 -5.549626e-06 4.600582e-02 1.356135e-02 0.000485 0.000060 True native_MD 7 73 107 + OG_AB42_8 CG1_AB42_12 1 0.000000e+00 2.009299e-06 ; 2.985947e-01 -2.009299e-06 4.327093e-02 1.072066e-02 0.000485 0.000060 True native_MD 7 73 108 + OG_AB42_8 CG2_AB42_12 1 0.000000e+00 2.034049e-06 ; 2.988995e-01 -2.034049e-06 3.585321e-02 1.521959e-02 0.000485 0.000060 True native_MD 7 73 109 OG_AB42_8 C_AB42_12 1 7.140704e-04 8.686818e-07 ; 3.267282e-01 1.467443e-01 5.337653e-03 2.397443e-03 0.000485 0.002166 True native_MD 7 73 110 OG_AB42_8 O_AB42_12 1 1.022527e-04 2.160663e-08 ; 2.440537e-01 1.209769e-01 4.876506e-03 4.735968e-03 0.000485 0.002166 True native_MD 7 73 111 OG_AB42_8 N_AB42_13 1 5.338562e-04 5.097008e-07 ; 3.137968e-01 1.397891e-01 3.916295e-03 8.014611e-04 0.000485 0.002166 True native_MD 7 73 112 OG_AB42_8 H_AB42_13 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 113 OG_AB42_8 CA_AB42_13 1 8.470572e-04 1.303401e-06 ; 3.397772e-01 1.376219e-01 2.600952e-02 9.487528e-03 0.000485 0.001339 True native_MD 7 73 114 - OG_AB42_8 CB_AB42_13 1 0.000000e+00 2.745099e-06 ; 3.064607e-01 -2.745099e-06 2.516218e-02 1.136405e-02 0.000485 0.000060 True native_MD 7 73 115 + OG_AB42_8 CB_AB42_13 1 0.000000e+00 2.745057e-06 ; 3.064603e-01 -2.745057e-06 2.516218e-02 1.136405e-02 0.000485 0.000060 True native_MD 7 73 115 OG_AB42_8 CG_AB42_13 1 5.360886e-04 5.075143e-07 ; 3.133540e-01 1.415680e-01 1.563912e-02 8.201364e-03 0.000485 0.002166 True native_MD 7 73 116 OG_AB42_8 ND1_AB42_13 1 1.364481e-04 3.497467e-08 ; 2.520370e-01 1.330827e-01 1.689420e-02 1.142090e-02 0.000485 0.002166 True native_MD 7 73 117 OG_AB42_8 CD2_AB42_13 1 4.831231e-04 4.315221e-07 ; 3.103303e-01 1.352236e-01 1.378686e-02 1.335607e-02 0.000485 0.003309 True native_MD 7 73 118 @@ -19256,7 +19256,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OG_AB42_8 N_AB42_14 1 2.823759e-04 1.399714e-07 ; 2.813209e-01 1.424151e-01 4.236475e-03 1.538129e-03 0.000485 0.002166 True native_MD 7 73 123 OG_AB42_8 H_AB42_14 1 1.115981e-05 3.061534e-10 ; 1.736656e-01 1.016985e-01 1.252638e-03 4.351596e-04 0.000485 0.005316 True native_MD 7 73 124 OG_AB42_8 CA_AB42_14 1 1.113766e-03 1.902325e-06 ; 3.457391e-01 1.630208e-01 2.706315e-02 4.616341e-03 0.000485 0.001339 True native_MD 7 73 125 - OG_AB42_8 CB_AB42_14 1 0.000000e+00 2.709088e-06 ; 3.061237e-01 -2.709088e-06 3.244478e-02 5.709613e-03 0.000485 0.000060 True native_MD 7 73 126 + OG_AB42_8 CB_AB42_14 1 0.000000e+00 2.709048e-06 ; 3.061233e-01 -2.709048e-06 3.244478e-02 5.709613e-03 0.000485 0.000060 True native_MD 7 73 126 OG_AB42_8 CG_AB42_14 1 6.151544e-04 5.087912e-07 ; 3.063792e-01 1.859382e-01 2.724341e-02 3.786777e-03 0.000485 0.002166 True native_MD 7 73 127 OG_AB42_8 ND1_AB42_14 1 2.525187e-04 9.004381e-08 ; 2.662932e-01 1.770407e-01 3.124633e-02 5.668311e-03 0.000485 0.002166 True native_MD 7 73 128 OG_AB42_8 CD2_AB42_14 1 4.151909e-04 2.536864e-07 ; 2.913007e-01 1.698785e-01 1.953897e-02 6.709916e-03 0.000485 0.003309 True native_MD 7 73 129 @@ -19267,8 +19267,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OG_AB42_8 N_AB42_15 1 2.253366e-04 8.313239e-08 ; 2.678077e-01 1.526979e-01 5.762989e-03 7.570670e-04 0.000485 0.002166 True native_MD 7 73 134 OG_AB42_8 H_AB42_15 1 8.349421e-06 1.508360e-10 ; 1.619850e-01 1.155441e-01 1.895709e-03 2.026187e-04 0.000485 0.005316 True native_MD 7 73 135 OG_AB42_8 CA_AB42_15 1 1.026275e-03 1.695714e-06 ; 3.438335e-01 1.552799e-01 1.450522e-02 3.119247e-03 0.000485 0.001339 True native_MD 7 73 136 - OG_AB42_8 CB_AB42_15 1 0.000000e+00 2.760833e-06 ; 3.066067e-01 -2.760833e-06 1.087517e-02 2.729928e-03 0.000485 0.000060 True native_MD 7 73 137 - OG_AB42_8 CG_AB42_15 1 0.000000e+00 2.736199e-06 ; 3.063778e-01 -2.736199e-06 2.092345e-02 3.928201e-03 0.000485 0.000060 True native_MD 7 73 138 + OG_AB42_8 CB_AB42_15 1 0.000000e+00 2.760792e-06 ; 3.066063e-01 -2.760792e-06 1.087517e-02 2.729928e-03 0.000485 0.000060 True native_MD 7 73 137 + OG_AB42_8 CG_AB42_15 1 0.000000e+00 2.736158e-06 ; 3.063774e-01 -2.736158e-06 2.092345e-02 3.928201e-03 0.000485 0.000060 True native_MD 7 73 138 OG_AB42_8 CD_AB42_15 1 8.053525e-04 8.728927e-07 ; 3.205008e-01 1.857596e-01 3.273975e-02 4.575150e-03 0.000485 0.002166 True native_MD 7 73 139 OG_AB42_8 OE1_AB42_15 1 1.516792e-04 3.086349e-08 ; 2.425231e-01 1.863576e-01 2.937047e-02 4.031621e-03 0.000485 0.002166 True native_MD 7 73 140 OG_AB42_8 NE2_AB42_15 1 2.834517e-04 1.089207e-07 ; 2.696323e-01 1.844114e-01 3.319312e-02 4.829618e-03 0.000485 0.002166 True native_MD 7 73 141 @@ -19277,34 +19277,34 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OG_AB42_8 N_AB42_16 1 2.127031e-04 7.717125e-08 ; 2.670629e-01 1.465657e-01 4.796769e-03 3.338015e-04 0.000485 0.002166 True native_MD 7 73 144 OG_AB42_8 H_AB42_16 1 6.497307e-06 1.083314e-10 ; 1.598344e-01 9.742099e-02 1.102127e-03 1.149123e-04 0.000485 0.005316 True native_MD 7 73 145 OG_AB42_8 CA_AB42_16 1 1.126232e-03 1.744598e-06 ; 3.401558e-01 1.817609e-01 1.375210e-02 1.182748e-03 0.000485 0.001339 True native_MD 7 73 146 - OG_AB42_8 CB_AB42_16 1 0.000000e+00 2.766509e-06 ; 3.066592e-01 -2.766509e-06 7.317178e-03 1.211122e-03 0.000485 0.000060 True native_MD 7 73 147 - OG_AB42_8 CG_AB42_16 1 0.000000e+00 2.765841e-06 ; 3.066530e-01 -2.765841e-06 7.899236e-03 1.553191e-03 0.000485 0.000060 True native_MD 7 73 148 - OG_AB42_8 CD_AB42_16 1 0.000000e+00 2.767832e-06 ; 3.066714e-01 -2.767832e-06 8.438724e-03 2.807782e-03 0.000485 0.000060 True native_MD 7 73 149 - OG_AB42_8 CE_AB42_16 1 0.000000e+00 2.769134e-06 ; 3.066834e-01 -2.769134e-06 8.921274e-03 3.758253e-03 0.000485 0.000060 True native_MD 7 73 150 + OG_AB42_8 CB_AB42_16 1 0.000000e+00 2.766468e-06 ; 3.066588e-01 -2.766468e-06 7.317178e-03 1.211122e-03 0.000485 0.000060 True native_MD 7 73 147 + OG_AB42_8 CG_AB42_16 1 0.000000e+00 2.765800e-06 ; 3.066527e-01 -2.765800e-06 7.899236e-03 1.553191e-03 0.000485 0.000060 True native_MD 7 73 148 + OG_AB42_8 CD_AB42_16 1 0.000000e+00 2.767791e-06 ; 3.066710e-01 -2.767791e-06 8.438724e-03 2.807782e-03 0.000485 0.000060 True native_MD 7 73 149 + OG_AB42_8 CE_AB42_16 1 0.000000e+00 2.769093e-06 ; 3.066831e-01 -2.769093e-06 8.921274e-03 3.758253e-03 0.000485 0.000060 True native_MD 7 73 150 OG_AB42_8 NZ_AB42_16 1 1.486647e-04 3.779757e-08 ; 2.516958e-01 1.461814e-01 5.906721e-03 2.698160e-03 0.000485 0.002166 True native_MD 7 73 151 OG_AB42_8 C_AB42_16 1 7.714166e-04 1.055354e-06 ; 3.331845e-01 1.409678e-01 4.056908e-03 4.027882e-04 0.000485 0.002166 True native_MD 7 73 152 OG_AB42_8 O_AB42_16 1 9.166702e-05 1.847906e-08 ; 2.421463e-01 1.136806e-01 1.792885e-03 6.399301e-04 0.000485 0.002166 True native_MD 7 73 153 OG_AB42_8 N_AB42_17 1 2.402613e-04 1.054231e-07 ; 2.756610e-01 1.368901e-01 3.590857e-03 2.729167e-04 0.000485 0.002166 True native_MD 7 73 154 OG_AB42_8 H_AB42_17 1 1.306360e-05 3.631729e-10 ; 1.740504e-01 1.174768e-01 2.008588e-03 1.043090e-04 0.000485 0.005316 True native_MD 7 73 155 OG_AB42_8 CA_AB42_17 1 1.483391e-03 3.509645e-06 ; 3.650351e-01 1.567431e-01 6.504602e-03 9.306442e-04 0.000485 0.001339 True native_MD 7 73 156 - OG_AB42_8 CB_AB42_17 1 0.000000e+00 2.770162e-06 ; 3.066929e-01 -2.770162e-06 6.039552e-03 1.245537e-03 0.000485 0.000060 True native_MD 7 73 157 - OG_AB42_8 CG_AB42_17 1 0.000000e+00 5.686387e-06 ; 3.256352e-01 -5.686387e-06 1.112652e-02 2.522446e-03 0.000485 0.000060 True native_MD 7 73 158 - OG_AB42_8 CD1_AB42_17 1 0.000000e+00 2.065630e-06 ; 2.992835e-01 -2.065630e-06 8.356258e-03 2.917451e-03 0.000485 0.000060 True native_MD 7 73 159 - OG_AB42_8 CD2_AB42_17 1 0.000000e+00 2.066658e-06 ; 2.992959e-01 -2.066658e-06 6.787076e-03 1.843308e-03 0.000485 0.000060 True native_MD 7 73 160 + OG_AB42_8 CB_AB42_17 1 0.000000e+00 2.770120e-06 ; 3.066925e-01 -2.770120e-06 6.039552e-03 1.245537e-03 0.000485 0.000060 True native_MD 7 73 157 + OG_AB42_8 CG_AB42_17 1 0.000000e+00 5.686368e-06 ; 3.256351e-01 -5.686368e-06 1.112652e-02 2.522446e-03 0.000485 0.000060 True native_MD 7 73 158 + OG_AB42_8 CD1_AB42_17 1 0.000000e+00 2.065607e-06 ; 2.992832e-01 -2.065607e-06 8.356258e-03 2.917451e-03 0.000485 0.000060 True native_MD 7 73 159 + OG_AB42_8 CD2_AB42_17 1 0.000000e+00 2.066635e-06 ; 2.992956e-01 -2.066635e-06 6.787076e-03 1.843308e-03 0.000485 0.000060 True native_MD 7 73 160 OG_AB42_8 C_AB42_17 1 6.523240e-04 8.229083e-07 ; 3.287113e-01 1.292752e-01 2.859107e-03 2.538010e-04 0.000485 0.002166 True native_MD 7 73 161 OG_AB42_8 O_AB42_17 1 9.333011e-05 1.711215e-08 ; 2.383493e-01 1.272562e-01 2.691471e-03 5.115061e-04 0.000485 0.002166 True native_MD 7 73 162 OG_AB42_8 N_AB42_18 1 2.668691e-04 1.912038e-07 ; 2.991344e-01 9.311943e-02 9.690042e-04 1.579954e-04 0.000485 0.002166 True native_MD 7 73 163 OG_AB42_8 H_AB42_18 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 164 OG_AB42_8 CA_AB42_18 1 9.365748e-04 1.777075e-06 ; 3.518524e-01 1.234011e-01 2.398208e-03 8.087409e-04 0.000485 0.001339 True native_MD 7 73 165 - OG_AB42_8 CB_AB42_18 1 0.000000e+00 5.716817e-06 ; 3.257801e-01 -5.716817e-06 4.866137e-03 1.567369e-03 0.000485 0.000060 True native_MD 7 73 166 - OG_AB42_8 CG1_AB42_18 1 0.000000e+00 2.075534e-06 ; 2.994028e-01 -2.075534e-06 2.141477e-03 1.471348e-03 0.000485 0.000060 True native_MD 7 73 167 - OG_AB42_8 CG2_AB42_18 1 0.000000e+00 2.071614e-06 ; 2.993556e-01 -2.071614e-06 4.551217e-03 1.993440e-03 0.000485 0.000060 True native_MD 7 73 168 + OG_AB42_8 CB_AB42_18 1 0.000000e+00 5.716798e-06 ; 3.257800e-01 -5.716798e-06 4.866137e-03 1.567369e-03 0.000485 0.000060 True native_MD 7 73 166 + OG_AB42_8 CG1_AB42_18 1 0.000000e+00 2.075511e-06 ; 2.994025e-01 -2.075511e-06 2.141477e-03 1.471348e-03 0.000485 0.000060 True native_MD 7 73 167 + OG_AB42_8 CG2_AB42_18 1 0.000000e+00 2.071591e-06 ; 2.993553e-01 -2.071591e-06 4.551217e-03 1.993440e-03 0.000485 0.000060 True native_MD 7 73 168 OG_AB42_8 C_AB42_18 1 5.716710e-04 7.959021e-07 ; 3.341583e-01 1.026533e-01 1.288943e-03 2.511160e-04 0.000485 0.002166 True native_MD 7 73 169 OG_AB42_8 O_AB42_18 1 7.779546e-05 1.617828e-08 ; 2.434051e-01 9.352250e-02 9.807634e-04 3.659760e-04 0.000485 0.002166 True native_MD 7 73 170 OG_AB42_8 N_AB42_19 1 1.805532e-04 9.928355e-08 ; 2.862279e-01 8.208674e-02 6.965263e-04 2.353491e-04 0.000485 0.002166 True native_MD 7 73 171 OG_AB42_8 H_AB42_19 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 172 OG_AB42_8 CA_AB42_19 1 1.082490e-03 2.408556e-06 ; 3.613173e-01 1.216273e-01 2.274223e-03 1.264443e-03 0.000485 0.001339 True native_MD 7 73 173 - OG_AB42_8 CB_AB42_19 1 0.000000e+00 2.778331e-06 ; 3.067682e-01 -2.778331e-06 3.365883e-03 1.506731e-03 0.000485 0.000060 True native_MD 7 73 174 + OG_AB42_8 CB_AB42_19 1 0.000000e+00 2.778289e-06 ; 3.067678e-01 -2.778289e-06 3.365883e-03 1.506731e-03 0.000485 0.000060 True native_MD 7 73 174 OG_AB42_8 CG_AB42_19 1 6.421993e-04 8.824583e-07 ; 3.334295e-01 1.168383e-01 1.970573e-03 1.144129e-03 0.000485 0.003309 True native_MD 7 73 175 OG_AB42_8 CD1_AB42_19 1 5.109839e-04 5.493264e-07 ; 3.200643e-01 1.188294e-01 2.091559e-03 1.648158e-03 0.000485 0.003309 True native_MD 7 73 176 OG_AB42_8 CD2_AB42_19 1 5.109839e-04 5.493264e-07 ; 3.200643e-01 1.188294e-01 2.091559e-03 1.648158e-03 0.000485 0.003309 True native_MD 7 73 177 @@ -19315,7 +19315,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OG_AB42_8 O_AB42_19 1 6.925951e-05 1.253197e-08 ; 2.378245e-01 9.569289e-02 1.046579e-03 4.736223e-04 0.000485 0.002166 True native_MD 7 73 182 OG_AB42_8 H_AB42_20 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 184 OG_AB42_8 CA_AB42_20 1 1.137780e-03 2.886116e-06 ; 3.692971e-01 1.121354e-01 1.711867e-03 1.291287e-03 0.000485 0.001339 True native_MD 7 73 185 - OG_AB42_8 CB_AB42_20 1 0.000000e+00 2.780839e-06 ; 3.067913e-01 -2.780839e-06 2.525458e-03 1.567508e-03 0.000485 0.000060 True native_MD 7 73 186 + OG_AB42_8 CB_AB42_20 1 0.000000e+00 2.780798e-06 ; 3.067909e-01 -2.780798e-06 2.525458e-03 1.567508e-03 0.000485 0.000060 True native_MD 7 73 186 OG_AB42_8 CG_AB42_20 1 8.319256e-04 1.462091e-06 ; 3.473881e-01 1.183408e-01 2.061198e-03 1.036050e-03 0.000485 0.003309 True native_MD 7 73 187 OG_AB42_8 CD1_AB42_20 1 8.046735e-04 1.214781e-06 ; 3.386983e-01 1.332544e-01 3.220671e-03 1.559181e-03 0.000485 0.003309 True native_MD 7 73 188 OG_AB42_8 CD2_AB42_20 1 8.046735e-04 1.214781e-06 ; 3.386983e-01 1.332544e-01 3.220671e-03 1.559181e-03 0.000485 0.003309 True native_MD 7 73 189 @@ -19327,13 +19327,13 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OG_AB42_8 N_AB42_21 1 1.778250e-04 1.054571e-07 ; 2.898548e-01 7.496352e-02 5.628069e-04 3.464271e-04 0.000485 0.002166 True native_MD 7 73 195 OG_AB42_8 H_AB42_21 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 196 OG_AB42_8 CA_AB42_21 1 5.160179e-04 5.953648e-07 ; 3.238568e-01 1.118115e-01 1.695353e-03 1.299499e-03 0.000485 0.001339 True native_MD 7 73 197 - OG_AB42_8 CB_AB42_21 1 0.000000e+00 2.075994e-06 ; 2.994083e-01 -2.075994e-06 2.095842e-03 1.647181e-03 0.000485 0.000060 True native_MD 7 73 198 + OG_AB42_8 CB_AB42_21 1 0.000000e+00 2.075971e-06 ; 2.994080e-01 -2.075971e-06 2.095842e-03 1.647181e-03 0.000485 0.000060 True native_MD 7 73 198 OG_AB42_8 C_AB42_21 1 5.987505e-04 9.572730e-07 ; 3.419519e-01 9.362589e-02 9.838026e-04 3.651981e-04 0.000485 0.002166 True native_MD 7 73 199 OG_AB42_8 O_AB42_21 1 8.533968e-05 2.302048e-08 ; 2.541912e-01 7.909112e-02 6.368019e-04 4.891128e-04 0.000485 0.002166 True native_MD 7 73 200 OG_AB42_8 H_AB42_22 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 202 OG_AB42_8 CA_AB42_22 1 6.737561e-04 1.052310e-06 ; 3.406227e-01 1.078454e-01 1.505615e-03 7.152201e-04 0.000485 0.001339 True native_MD 7 73 203 - OG_AB42_8 CB_AB42_22 1 0.000000e+00 2.779551e-06 ; 3.067794e-01 -2.779551e-06 2.184337e-03 7.634642e-04 0.000485 0.000060 True native_MD 7 73 204 - OG_AB42_8 CG_AB42_22 1 0.000000e+00 2.775777e-06 ; 3.067447e-01 -2.775777e-06 3.908754e-03 1.132070e-03 0.000485 0.000060 True native_MD 7 73 205 + OG_AB42_8 CB_AB42_22 1 0.000000e+00 2.779509e-06 ; 3.067790e-01 -2.779509e-06 2.184337e-03 7.634642e-04 0.000485 0.000060 True native_MD 7 73 204 + OG_AB42_8 CG_AB42_22 1 0.000000e+00 2.775735e-06 ; 3.067443e-01 -2.775735e-06 3.908754e-03 1.132070e-03 0.000485 0.000060 True native_MD 7 73 205 OG_AB42_8 CD_AB42_22 1 3.651506e-04 2.554309e-07 ; 2.979433e-01 1.305000e-01 2.965848e-03 1.107260e-03 0.000485 0.002166 True native_MD 7 73 206 OG_AB42_8 OE1_AB42_22 1 7.468770e-05 1.166636e-08 ; 2.320675e-01 1.195371e-01 2.136326e-03 9.920481e-04 0.000485 0.002166 True native_MD 7 73 207 OG_AB42_8 OE2_AB42_22 1 7.468770e-05 1.166636e-08 ; 2.320675e-01 1.195371e-01 2.136326e-03 9.920481e-04 0.000485 0.002166 True native_MD 7 73 208 @@ -19341,15 +19341,15 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OG_AB42_8 O_AB42_22 1 6.696278e-05 1.208619e-08 ; 2.377256e-01 9.275074e-02 9.583717e-04 4.871001e-04 0.000485 0.002166 True native_MD 7 73 210 OG_AB42_8 H_AB42_23 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 212 OG_AB42_8 CA_AB42_23 1 4.936601e-04 5.854789e-07 ; 3.253473e-01 1.040602e-01 1.344372e-03 6.559596e-04 0.000485 0.001339 True native_MD 7 73 213 - OG_AB42_8 CB_AB42_23 1 0.000000e+00 2.781383e-06 ; 3.067963e-01 -2.781383e-06 1.449431e-03 6.869332e-04 0.000485 0.000060 True native_MD 7 73 214 + OG_AB42_8 CB_AB42_23 1 0.000000e+00 2.781342e-06 ; 3.067959e-01 -2.781342e-06 1.449431e-03 6.869332e-04 0.000485 0.000060 True native_MD 7 73 214 OG_AB42_8 CG_AB42_23 1 3.564345e-04 2.945687e-07 ; 3.063382e-01 1.078234e-01 1.504623e-03 1.031736e-03 0.000485 0.002166 True native_MD 7 73 215 OG_AB42_8 OD1_AB42_23 1 6.726895e-05 1.111513e-08 ; 2.342520e-01 1.017782e-01 1.255626e-03 5.529547e-04 0.000485 0.002166 True native_MD 7 73 216 OG_AB42_8 OD2_AB42_23 1 6.726895e-05 1.111513e-08 ; 2.342520e-01 1.017782e-01 1.255626e-03 5.529547e-04 0.000485 0.002166 True native_MD 7 73 217 OG_AB42_8 H_AB42_24 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 221 OG_AB42_8 CA_AB42_24 1 1.141666e-03 2.680673e-06 ; 3.645727e-01 1.215554e-01 2.269337e-03 5.490613e-04 0.000485 0.001339 True native_MD 7 73 222 OG_AB42_8 CB_AB42_24 1 4.390723e-04 6.764264e-07 ; 3.398449e-01 7.125108e-02 5.930276e-03 7.031506e-04 0.000485 0.000060 True native_MD 7 73 223 - OG_AB42_8 CG1_AB42_24 1 0.000000e+00 2.069344e-06 ; 2.993283e-01 -2.069344e-06 4.592912e-03 9.422773e-04 0.000485 0.000060 True native_MD 7 73 224 - OG_AB42_8 CG2_AB42_24 1 0.000000e+00 2.068725e-06 ; 2.993208e-01 -2.068725e-06 4.587814e-03 6.390996e-04 0.000485 0.000060 True native_MD 7 73 225 + OG_AB42_8 CG1_AB42_24 1 0.000000e+00 2.069321e-06 ; 2.993280e-01 -2.069321e-06 4.592912e-03 9.422773e-04 0.000485 0.000060 True native_MD 7 73 224 + OG_AB42_8 CG2_AB42_24 1 0.000000e+00 2.068702e-06 ; 2.993205e-01 -2.068702e-06 4.587814e-03 6.390996e-04 0.000485 0.000060 True native_MD 7 73 225 OG_AB42_8 C_AB42_24 1 7.618181e-04 1.481386e-06 ; 3.532939e-01 9.794323e-02 1.119487e-03 2.163338e-04 0.000485 0.002166 True native_MD 7 73 226 OG_AB42_8 O_AB42_24 1 1.029820e-04 2.751999e-08 ; 2.537939e-01 9.634175e-02 1.067100e-03 3.383287e-04 0.000485 0.002166 True native_MD 7 73 227 OG_AB42_8 N_AB42_25 1 1.633806e-04 7.197583e-08 ; 2.758445e-01 9.271595e-02 9.573742e-04 2.954207e-04 0.000485 0.002166 True native_MD 7 73 228 @@ -19360,13 +19360,13 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OG_AB42_8 N_AB42_26 1 5.609772e-04 9.085671e-07 ; 3.426904e-01 8.659112e-02 7.970386e-04 6.554552e-05 0.000485 0.002166 True native_MD 7 73 233 OG_AB42_8 H_AB42_26 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 234 OG_AB42_8 CA_AB42_26 1 5.482669e-04 6.271006e-07 ; 3.233882e-01 1.198359e-01 2.155513e-03 7.937240e-04 0.000485 0.001339 True native_MD 7 73 235 - OG_AB42_8 CB_AB42_26 1 0.000000e+00 2.780762e-06 ; 3.067906e-01 -2.780762e-06 1.817174e-03 8.316314e-04 0.000485 0.000060 True native_MD 7 73 236 + OG_AB42_8 CB_AB42_26 1 0.000000e+00 2.780721e-06 ; 3.067902e-01 -2.780721e-06 1.817174e-03 8.316314e-04 0.000485 0.000060 True native_MD 7 73 236 OG_AB42_8 OG_AB42_26 1 9.194979e-05 2.328528e-08 ; 2.515292e-01 9.077372e-02 9.033151e-04 4.034037e-04 0.000485 0.002166 True native_MD 7 73 237 OG_AB42_8 C_AB42_26 1 4.949843e-04 6.670259e-07 ; 3.323471e-01 9.182905e-02 9.322986e-04 3.192419e-04 0.000485 0.002166 True native_MD 7 73 238 OG_AB42_8 O_AB42_26 1 6.085528e-05 1.121303e-08 ; 2.385453e-01 8.256833e-02 7.066373e-04 3.121444e-04 0.000485 0.002166 True native_MD 7 73 239 OG_AB42_8 H_AB42_27 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 241 OG_AB42_8 CA_AB42_27 1 7.035724e-04 1.091605e-06 ; 3.402458e-01 1.133684e-01 1.776214e-03 4.418222e-04 0.000485 0.001339 True native_MD 7 73 242 - OG_AB42_8 CB_AB42_27 1 0.000000e+00 2.780353e-06 ; 3.067868e-01 -2.780353e-06 1.632629e-03 5.000122e-04 0.000485 0.000060 True native_MD 7 73 243 + OG_AB42_8 CB_AB42_27 1 0.000000e+00 2.780311e-06 ; 3.067864e-01 -2.780311e-06 1.632629e-03 5.000122e-04 0.000485 0.000060 True native_MD 7 73 243 OG_AB42_8 CG_AB42_27 1 3.086151e-04 2.326655e-07 ; 3.016841e-01 1.023393e-01 1.276888e-03 3.964108e-04 0.000485 0.002166 True native_MD 7 73 244 OG_AB42_8 OD1_AB42_27 1 9.330160e-05 2.277944e-08 ; 2.500013e-01 9.553780e-02 1.041733e-03 4.379036e-04 0.000485 0.002166 True native_MD 7 73 245 OG_AB42_8 ND2_AB42_27 1 2.405928e-04 1.321923e-07 ; 2.861896e-01 1.094711e-01 1.580674e-03 3.572165e-04 0.000485 0.002166 True native_MD 7 73 246 @@ -19377,8 +19377,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OG_AB42_8 CA_AB42_28 1 1.074999e-03 2.060948e-06 ; 3.524600e-01 1.401809e-01 3.962483e-03 3.999150e-04 0.000485 0.001339 True native_MD 7 73 251 OG_AB42_8 CB_AB42_28 1 6.201688e-04 1.050085e-06 ; 3.452384e-01 9.156623e-02 3.192612e-03 2.061059e-04 0.000485 0.000060 True native_MD 7 73 252 OG_AB42_8 CG_AB42_28 1 4.470397e-04 5.642444e-07 ; 3.287407e-01 8.854519e-02 3.549275e-03 2.508115e-04 0.000485 0.000060 True native_MD 7 73 253 - OG_AB42_8 CD_AB42_28 1 0.000000e+00 2.774442e-06 ; 3.067324e-01 -2.774442e-06 3.768432e-03 5.122731e-04 0.000485 0.000060 True native_MD 7 73 254 - OG_AB42_8 CE_AB42_28 1 0.000000e+00 2.775113e-06 ; 3.067386e-01 -2.775113e-06 3.669552e-03 6.543267e-04 0.000485 0.000060 True native_MD 7 73 255 + OG_AB42_8 CD_AB42_28 1 0.000000e+00 2.774401e-06 ; 3.067320e-01 -2.774401e-06 3.768432e-03 5.122731e-04 0.000485 0.000060 True native_MD 7 73 254 + OG_AB42_8 CE_AB42_28 1 0.000000e+00 2.775071e-06 ; 3.067382e-01 -2.775071e-06 3.669552e-03 6.543267e-04 0.000485 0.000060 True native_MD 7 73 255 OG_AB42_8 NZ_AB42_28 1 1.247127e-04 3.381295e-08 ; 2.544068e-01 1.149948e-01 1.864800e-03 5.166848e-04 0.000485 0.002166 True native_MD 7 73 256 OG_AB42_8 C_AB42_28 1 5.567330e-04 6.583762e-07 ; 3.251905e-01 1.176955e-01 2.021774e-03 3.297067e-04 0.000485 0.002166 True native_MD 7 73 257 OG_AB42_8 O_AB42_28 1 8.156982e-05 1.622052e-08 ; 2.415957e-01 1.025497e-01 1.284954e-03 3.991658e-04 0.000485 0.002166 True native_MD 7 73 258 @@ -19389,7 +19389,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OG_AB42_8 O_AB42_29 1 9.874217e-05 2.019577e-08 ; 2.427316e-01 1.206938e-01 2.211567e-03 4.992894e-04 0.000485 0.002166 True native_MD 7 73 263 OG_AB42_8 H_AB42_30 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 265 OG_AB42_8 CA_AB42_30 1 1.072603e-03 1.978160e-06 ; 3.501900e-01 1.453973e-01 4.631945e-03 6.138756e-04 0.000485 0.001339 True native_MD 7 73 266 - OG_AB42_8 CB_AB42_30 1 0.000000e+00 2.070982e-06 ; 2.993480e-01 -2.070982e-06 3.330872e-03 4.686369e-04 0.000485 0.000060 True native_MD 7 73 267 + OG_AB42_8 CB_AB42_30 1 0.000000e+00 2.070958e-06 ; 2.993477e-01 -2.070958e-06 3.330872e-03 4.686369e-04 0.000485 0.000060 True native_MD 7 73 267 OG_AB42_8 C_AB42_30 1 4.885657e-04 4.635036e-07 ; 3.134645e-01 1.287457e-01 2.814159e-03 2.754351e-04 0.000485 0.002166 True native_MD 7 73 268 OG_AB42_8 O_AB42_30 1 9.726275e-05 1.799015e-08 ; 2.386976e-01 1.314614e-01 3.052413e-03 3.479167e-04 0.000485 0.002166 True native_MD 7 73 269 OG_AB42_8 N_AB42_31 1 1.223027e-04 4.109142e-08 ; 2.636650e-01 9.100402e-02 9.095623e-04 1.044553e-04 0.000485 0.002166 True native_MD 7 73 270 @@ -19397,16 +19397,16 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OG_AB42_8 CA_AB42_31 1 1.060950e-03 1.988391e-06 ; 3.511299e-01 1.415233e-01 4.124911e-03 4.831885e-04 0.000485 0.001339 True native_MD 7 73 272 OG_AB42_8 CB_AB42_31 1 6.234641e-04 1.364065e-06 ; 3.603053e-01 7.124063e-02 5.548345e-03 6.580711e-04 0.000485 0.000060 True native_MD 7 73 273 OG_AB42_8 CG1_AB42_31 1 3.853629e-04 4.782687e-07 ; 3.278187e-01 7.762613e-02 5.213765e-03 5.108231e-04 0.000485 0.000060 True native_MD 7 73 274 - OG_AB42_8 CG2_AB42_31 1 0.000000e+00 2.068701e-06 ; 2.993205e-01 -2.068701e-06 4.595600e-03 6.352511e-04 0.000485 0.000060 True native_MD 7 73 275 + OG_AB42_8 CG2_AB42_31 1 0.000000e+00 2.068678e-06 ; 2.993202e-01 -2.068678e-06 4.595600e-03 6.352511e-04 0.000485 0.000060 True native_MD 7 73 275 OG_AB42_8 CD_AB42_31 1 2.846894e-04 2.490974e-07 ; 3.092666e-01 8.134172e-02 6.128613e-03 5.372681e-04 0.000485 0.000060 True native_MD 7 73 276 OG_AB42_8 C_AB42_31 1 6.918906e-04 1.196763e-06 ; 3.464669e-01 1.000015e-01 1.190611e-03 1.779017e-04 0.000485 0.002166 True native_MD 7 73 277 OG_AB42_8 O_AB42_31 1 8.076060e-05 1.817785e-08 ; 2.466364e-01 8.970084e-02 8.747730e-04 2.499742e-04 0.000485 0.002166 True native_MD 7 73 278 OG_AB42_8 N_AB42_32 1 1.920993e-04 1.163598e-07 ; 2.908793e-01 7.928456e-02 6.404990e-04 1.272819e-05 0.000485 0.002166 True native_MD 7 73 279 OG_AB42_8 H_AB42_32 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 280 OG_AB42_8 CA_AB42_32 1 1.659041e-03 5.138281e-06 ; 3.817920e-01 1.339172e-01 3.285190e-03 3.287749e-04 0.000485 0.001339 True native_MD 7 73 281 - OG_AB42_8 CB_AB42_32 1 0.000000e+00 5.713790e-06 ; 3.257657e-01 -5.713790e-06 4.395449e-03 5.690077e-04 0.000485 0.000060 True native_MD 7 73 282 + OG_AB42_8 CB_AB42_32 1 0.000000e+00 5.713771e-06 ; 3.257656e-01 -5.713771e-06 4.395449e-03 5.690077e-04 0.000485 0.000060 True native_MD 7 73 282 OG_AB42_8 CG1_AB42_32 1 4.816029e-04 6.829463e-07 ; 3.351837e-01 8.490468e-02 4.467810e-03 3.520602e-04 0.000485 0.000060 True native_MD 7 73 283 - OG_AB42_8 CG2_AB42_32 1 0.000000e+00 2.070519e-06 ; 2.993424e-01 -2.070519e-06 3.663428e-03 5.785787e-04 0.000485 0.000060 True native_MD 7 73 284 + OG_AB42_8 CG2_AB42_32 1 0.000000e+00 2.070496e-06 ; 2.993421e-01 -2.070496e-06 3.663428e-03 5.785787e-04 0.000485 0.000060 True native_MD 7 73 284 OG_AB42_8 CD_AB42_32 1 4.250881e-04 5.133500e-07 ; 3.263291e-01 8.800035e-02 6.161866e-03 4.425895e-04 0.000485 0.000060 True native_MD 7 73 285 OG_AB42_8 O_AB42_32 1 1.040876e-04 1.994250e-08 ; 2.401025e-01 1.358183e-01 3.477515e-03 3.241713e-04 0.000485 0.002166 True native_MD 7 73 287 OG_AB42_8 N_AB42_33 1 2.904961e-04 1.937505e-07 ; 2.955859e-01 1.088874e-01 1.553305e-03 3.072390e-04 0.000485 0.002166 True native_MD 7 73 288 @@ -19482,11 +19482,11 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 OG_AB42_8 C_AB42_42 1 3.330890e-04 2.166992e-07 ; 2.943627e-01 1.279980e-01 2.751890e-03 5.108617e-04 0.000485 0.002166 True native_MD 7 73 358 OG_AB42_8 O1_AB42_42 1 7.083523e-05 1.132711e-08 ; 2.329763e-01 1.107438e-01 1.642040e-03 3.122848e-04 0.000485 0.002166 True native_MD 7 73 359 OG_AB42_8 O2_AB42_42 1 7.083523e-05 1.132711e-08 ; 2.329763e-01 1.107438e-01 1.642040e-03 3.122848e-04 0.000485 0.002166 True native_MD 7 73 360 - C_AB42_8 CA_AB42_9 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 78 - C_AB42_8 O_AB42_9 1 0.000000e+00 6.410427e-07 ; 2.714786e-01 -6.410427e-07 8.924705e-01 6.676664e-01 0.000485 0.000060 True native_MD 4 74 80 - C_AB42_8 N_AB42_10 1 0.000000e+00 1.479286e-06 ; 2.910713e-01 -1.479286e-06 9.837166e-01 9.645789e-01 0.000485 0.000060 True native_MD 4 74 81 - C_AB42_8 CA_AB42_10 1 0.000000e+00 1.271847e-05 ; 3.482287e-01 -1.271847e-05 8.948782e-01 8.693345e-01 0.000485 0.000060 True native_MD 5 74 83 - C_AB42_8 CB_AB42_10 1 0.000000e+00 5.914525e-06 ; 3.267044e-01 -5.914525e-06 4.521695e-01 3.859493e-01 0.000485 0.000060 True native_MD 6 74 84 + C_AB42_8 CA_AB42_9 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 78 + C_AB42_8 O_AB42_9 1 0.000000e+00 6.410398e-07 ; 2.714785e-01 -6.410398e-07 8.924705e-01 6.676664e-01 0.000485 0.000060 True native_MD 4 74 80 + C_AB42_8 N_AB42_10 1 0.000000e+00 1.479265e-06 ; 2.910709e-01 -1.479265e-06 9.837166e-01 9.645789e-01 0.000485 0.000060 True native_MD 4 74 81 + C_AB42_8 CA_AB42_10 1 0.000000e+00 1.271841e-05 ; 3.482286e-01 -1.271841e-05 8.948782e-01 8.693345e-01 0.000485 0.000060 True native_MD 5 74 83 + C_AB42_8 CB_AB42_10 1 0.000000e+00 5.914426e-06 ; 3.267039e-01 -5.914426e-06 4.521695e-01 3.859493e-01 0.000485 0.000060 True native_MD 6 74 84 C_AB42_8 CG_AB42_10 1 2.364431e-03 9.383032e-06 ; 3.978959e-01 1.489533e-01 1.925475e-01 1.236801e-01 0.000485 0.003309 True native_MD 7 74 85 C_AB42_8 CD1_AB42_10 1 1.060719e-03 1.985297e-06 ; 3.510515e-01 1.416822e-01 1.698301e-01 1.356055e-01 0.000485 0.003309 True native_MD 7 74 86 C_AB42_8 CD2_AB42_10 1 1.060719e-03 1.985297e-06 ; 3.510515e-01 1.416822e-01 1.698301e-01 1.356055e-01 0.000485 0.003309 True native_MD 7 74 87 @@ -19494,12 +19494,12 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_8 CE2_AB42_10 1 1.366715e-03 3.012280e-06 ; 3.607472e-01 1.550245e-01 1.350165e-01 7.231760e-02 0.000485 0.003309 True native_MD 7 74 89 C_AB42_8 CZ_AB42_10 1 2.603896e-03 9.480112e-06 ; 3.922217e-01 1.788026e-01 9.224595e-02 2.425318e-02 0.000485 0.003309 True native_MD 7 74 90 C_AB42_8 OH_AB42_10 1 2.019522e-03 7.261346e-06 ; 3.914066e-01 1.404171e-01 3.990598e-03 1.274616e-03 0.000485 0.002166 True native_MD 7 74 91 - C_AB42_8 C_AB42_10 1 0.000000e+00 2.345966e-06 ; 3.024743e-01 -2.345966e-06 1.964914e-01 9.928263e-02 0.000485 0.000060 True native_MD 6 74 92 + C_AB42_8 C_AB42_10 1 0.000000e+00 2.345925e-06 ; 3.024739e-01 -2.345925e-06 1.964914e-01 9.928263e-02 0.000485 0.000060 True native_MD 6 74 92 C_AB42_8 O_AB42_10 1 8.317611e-04 1.549953e-06 ; 3.507949e-01 1.115883e-01 5.234128e-02 6.732167e-02 0.000485 0.002166 True native_MD 7 74 93 C_AB42_8 N_AB42_11 1 1.048779e-03 1.836636e-06 ; 3.471814e-01 1.497217e-01 2.002941e-01 8.229362e-02 0.000485 0.002166 True native_MD 7 74 94 C_AB42_8 CA_AB42_11 1 3.166592e-03 1.862675e-05 ; 4.248714e-01 1.345821e-01 2.041614e-01 8.156286e-02 0.000485 0.001339 True native_MD 7 74 96 - C_AB42_8 CB_AB42_11 1 0.000000e+00 5.607367e-06 ; 3.252557e-01 -5.607367e-06 1.730304e-01 5.831641e-02 0.000485 0.000060 True native_MD 7 74 97 - C_AB42_8 CG_AB42_11 1 0.000000e+00 5.880090e-06 ; 3.265455e-01 -5.880090e-06 1.278238e-01 5.616698e-02 0.000485 0.000060 True native_MD 7 74 98 + C_AB42_8 CB_AB42_11 1 0.000000e+00 5.607273e-06 ; 3.252552e-01 -5.607273e-06 1.730304e-01 5.831641e-02 0.000485 0.000060 True native_MD 7 74 97 + C_AB42_8 CG_AB42_11 1 0.000000e+00 5.879991e-06 ; 3.265450e-01 -5.879991e-06 1.278238e-01 5.616698e-02 0.000485 0.000060 True native_MD 7 74 98 C_AB42_8 CD_AB42_11 1 2.393775e-03 9.644215e-06 ; 3.988999e-01 1.485387e-01 3.328056e-02 1.416633e-02 0.000485 0.002166 True native_MD 7 74 99 C_AB42_8 OE1_AB42_11 1 6.930433e-04 8.463624e-07 ; 3.269384e-01 1.418745e-01 1.070906e-02 5.564735e-03 0.000485 0.002166 True native_MD 7 74 100 C_AB42_8 OE2_AB42_11 1 6.930433e-04 8.463624e-07 ; 3.269384e-01 1.418745e-01 1.070906e-02 5.564735e-03 0.000485 0.002166 True native_MD 7 74 101 @@ -19507,14 +19507,14 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_8 O_AB42_11 1 5.900737e-04 6.343508e-07 ; 3.200643e-01 1.372218e-01 1.641780e-02 9.805636e-03 0.000485 0.002166 True native_MD 7 74 103 C_AB42_8 N_AB42_12 1 2.043125e-03 5.738662e-06 ; 3.756234e-01 1.818524e-01 4.480907e-02 7.038366e-03 0.000485 0.002166 True native_MD 7 74 104 C_AB42_8 CA_AB42_12 1 5.308603e-03 4.447245e-05 ; 4.506629e-01 1.584198e-01 7.116991e-02 1.393172e-02 0.000485 0.001339 True native_MD 7 74 106 - C_AB42_8 CB_AB42_12 1 0.000000e+00 1.176702e-05 ; 3.459796e-01 -1.176702e-05 1.288726e-01 3.043106e-02 0.000485 0.000060 True native_MD 7 74 107 - C_AB42_8 CG1_AB42_12 1 0.000000e+00 4.357170e-06 ; 3.184897e-01 -4.357170e-06 9.463528e-02 1.656994e-02 0.000485 0.000060 True native_MD 7 74 108 - C_AB42_8 CG2_AB42_12 1 0.000000e+00 4.343827e-06 ; 3.184083e-01 -4.343827e-06 1.200408e-01 3.915224e-02 0.000485 0.000060 True native_MD 7 74 109 + C_AB42_8 CB_AB42_12 1 0.000000e+00 1.176696e-05 ; 3.459795e-01 -1.176696e-05 1.288726e-01 3.043106e-02 0.000485 0.000060 True native_MD 7 74 107 + C_AB42_8 CG1_AB42_12 1 0.000000e+00 4.357113e-06 ; 3.184893e-01 -4.357113e-06 9.463528e-02 1.656994e-02 0.000485 0.000060 True native_MD 7 74 108 + C_AB42_8 CG2_AB42_12 1 0.000000e+00 4.343770e-06 ; 3.184080e-01 -4.343770e-06 1.200408e-01 3.915224e-02 0.000485 0.000060 True native_MD 7 74 109 C_AB42_8 C_AB42_12 1 3.094341e-03 1.632091e-05 ; 4.172177e-01 1.466669e-01 4.811313e-03 8.931297e-04 0.000485 0.002166 True native_MD 7 74 110 C_AB42_8 O_AB42_12 1 8.672012e-04 1.244019e-06 ; 3.358287e-01 1.511307e-01 9.531329e-03 3.754433e-03 0.000485 0.002166 True native_MD 7 74 111 C_AB42_8 N_AB42_13 1 1.600457e-03 4.369063e-06 ; 3.738443e-01 1.465682e-01 4.797125e-03 5.092377e-04 0.000485 0.002166 True native_MD 7 74 112 C_AB42_8 CA_AB42_13 1 4.677091e-03 3.045732e-05 ; 4.321349e-01 1.795560e-01 2.873852e-02 2.988634e-03 0.000485 0.001339 True native_MD 7 74 114 - C_AB42_8 CB_AB42_13 1 0.000000e+00 6.211043e-06 ; 3.280389e-01 -6.211043e-06 2.373174e-02 4.325548e-03 0.000485 0.000060 True native_MD 7 74 115 + C_AB42_8 CB_AB42_13 1 0.000000e+00 6.210939e-06 ; 3.280385e-01 -6.210939e-06 2.373174e-02 4.325548e-03 0.000485 0.000060 True native_MD 7 74 115 C_AB42_8 CG_AB42_13 1 1.815867e-03 4.704640e-06 ; 3.706014e-01 1.752193e-01 1.130706e-02 2.122637e-03 0.000485 0.002166 True native_MD 7 74 116 C_AB42_8 ND1_AB42_13 1 9.253451e-04 1.461068e-06 ; 3.412409e-01 1.465133e-01 9.251569e-03 4.184222e-03 0.000485 0.002166 True native_MD 7 74 117 C_AB42_8 CD2_AB42_13 1 1.304102e-03 2.379703e-06 ; 3.495708e-01 1.786654e-01 1.885609e-02 4.978012e-03 0.000485 0.003309 True native_MD 7 74 118 @@ -19545,8 +19545,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_8 CA_AB42_16 1 3.456569e-03 1.534572e-05 ; 4.054061e-01 1.946450e-01 2.022182e-02 4.833131e-04 0.000485 0.001339 True native_MD 7 74 146 C_AB42_8 CB_AB42_16 1 1.233676e-03 4.437048e-06 ; 3.914253e-01 8.575272e-02 6.472661e-03 4.972598e-04 0.000485 0.000060 True native_MD 7 74 147 C_AB42_8 CG_AB42_16 1 7.217108e-04 1.598940e-06 ; 3.610590e-01 8.143936e-02 8.515896e-03 7.443723e-04 0.000485 0.000060 True native_MD 7 74 148 - C_AB42_8 CD_AB42_16 1 0.000000e+00 6.288398e-06 ; 3.283775e-01 -6.288398e-06 8.651864e-03 1.458425e-03 0.000485 0.000060 True native_MD 7 74 149 - C_AB42_8 CE_AB42_16 1 0.000000e+00 6.285466e-06 ; 3.283647e-01 -6.285466e-06 9.595540e-03 1.939168e-03 0.000485 0.000060 True native_MD 7 74 150 + C_AB42_8 CD_AB42_16 1 0.000000e+00 6.288293e-06 ; 3.283770e-01 -6.288293e-06 8.651864e-03 1.458425e-03 0.000485 0.000060 True native_MD 7 74 149 + C_AB42_8 CE_AB42_16 1 0.000000e+00 6.285360e-06 ; 3.283642e-01 -6.285360e-06 9.595540e-03 1.939168e-03 0.000485 0.000060 True native_MD 7 74 150 C_AB42_8 NZ_AB42_16 1 9.638646e-04 1.453268e-06 ; 3.386270e-01 1.598182e-01 7.131606e-03 1.393610e-03 0.000485 0.002166 True native_MD 7 74 151 C_AB42_8 C_AB42_16 1 1.947117e-03 5.974981e-06 ; 3.812040e-01 1.586308e-01 6.882634e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 74 152 C_AB42_8 O_AB42_16 1 6.073297e-04 8.833198e-07 ; 3.366011e-01 1.043929e-01 1.357824e-03 1.082735e-04 0.000485 0.002166 True native_MD 7 74 153 @@ -19559,12 +19559,12 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_8 C_AB42_17 1 1.562763e-03 7.215029e-06 ; 4.080601e-01 8.462296e-02 7.514497e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 74 161 C_AB42_8 O_AB42_17 1 5.281919e-04 7.604687e-07 ; 3.360327e-01 9.171538e-02 9.291327e-04 6.601185e-05 0.000485 0.002166 True native_MD 7 74 162 C_AB42_8 CA_AB42_18 1 2.961017e-03 2.003968e-05 ; 4.349189e-01 1.093783e-01 1.576291e-03 2.999073e-04 0.000485 0.001339 True native_MD 7 74 165 - C_AB42_8 CB_AB42_18 1 0.000000e+00 1.301990e-05 ; 3.489091e-01 -1.301990e-05 3.547619e-03 1.098475e-03 0.000485 0.000060 True native_MD 7 74 166 - C_AB42_8 CG1_AB42_18 1 0.000000e+00 4.718277e-06 ; 3.206099e-01 -4.718277e-06 2.560555e-03 9.018781e-04 0.000485 0.000060 True native_MD 7 74 167 - C_AB42_8 CG2_AB42_18 1 0.000000e+00 4.714661e-06 ; 3.205894e-01 -4.714661e-06 3.481502e-03 1.057713e-03 0.000485 0.000060 True native_MD 7 74 168 + C_AB42_8 CB_AB42_18 1 0.000000e+00 1.301983e-05 ; 3.489090e-01 -1.301983e-05 3.547619e-03 1.098475e-03 0.000485 0.000060 True native_MD 7 74 166 + C_AB42_8 CG1_AB42_18 1 0.000000e+00 4.718215e-06 ; 3.206096e-01 -4.718215e-06 2.560555e-03 9.018781e-04 0.000485 0.000060 True native_MD 7 74 167 + C_AB42_8 CG2_AB42_18 1 0.000000e+00 4.714599e-06 ; 3.205891e-01 -4.714599e-06 3.481502e-03 1.057713e-03 0.000485 0.000060 True native_MD 7 74 168 C_AB42_8 N_AB42_19 1 6.574518e-04 1.277358e-06 ; 3.532440e-01 8.459701e-02 7.508664e-04 4.996678e-05 0.000485 0.002166 True native_MD 7 74 171 C_AB42_8 CA_AB42_19 1 2.633798e-03 1.635609e-05 ; 4.287290e-01 1.060292e-01 1.425968e-03 3.051886e-04 0.000485 0.001339 True native_MD 7 74 173 - C_AB42_8 CB_AB42_19 1 0.000000e+00 6.322618e-06 ; 3.285260e-01 -6.322618e-06 2.446787e-03 6.559764e-04 0.000485 0.000060 True native_MD 7 74 174 + C_AB42_8 CB_AB42_19 1 0.000000e+00 6.322512e-06 ; 3.285255e-01 -6.322512e-06 2.446787e-03 6.559764e-04 0.000485 0.000060 True native_MD 7 74 174 C_AB42_8 CG_AB42_19 1 1.180407e-03 2.904713e-06 ; 3.674334e-01 1.199224e-01 2.161098e-03 3.756338e-04 0.000485 0.003309 True native_MD 7 74 175 C_AB42_8 CD1_AB42_19 1 6.164678e-04 7.460163e-07 ; 3.264422e-01 1.273540e-01 2.699358e-03 5.836196e-04 0.000485 0.003309 True native_MD 7 74 176 C_AB42_8 CD2_AB42_19 1 6.164678e-04 7.460163e-07 ; 3.264422e-01 1.273540e-01 2.699358e-03 5.836196e-04 0.000485 0.003309 True native_MD 7 74 177 @@ -19573,24 +19573,24 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_8 CZ_AB42_19 1 1.203825e-03 2.428974e-06 ; 3.554757e-01 1.491570e-01 5.183546e-03 1.019553e-03 0.000485 0.003309 True native_MD 7 74 180 C_AB42_8 O_AB42_19 1 2.355194e-04 1.891964e-07 ; 3.048932e-01 7.329606e-02 5.354118e-04 2.191020e-04 0.000485 0.002166 True native_MD 7 74 182 C_AB42_8 CA_AB42_20 1 1.525213e-03 8.147738e-06 ; 4.181041e-01 7.137790e-02 5.055432e-04 5.649982e-04 0.000485 0.001339 True native_MD 7 74 185 - C_AB42_8 CB_AB42_20 1 0.000000e+00 6.333579e-06 ; 3.285734e-01 -6.333579e-06 8.408991e-04 7.805622e-04 0.000485 0.000060 True native_MD 7 74 186 + C_AB42_8 CB_AB42_20 1 0.000000e+00 6.333473e-06 ; 3.285730e-01 -6.333473e-06 8.408991e-04 7.805622e-04 0.000485 0.000060 True native_MD 7 74 186 C_AB42_8 CG_AB42_20 1 1.635354e-03 7.001903e-06 ; 4.029651e-01 9.548766e-02 1.040171e-03 3.859093e-04 0.000485 0.003309 True native_MD 7 74 187 C_AB42_8 CD1_AB42_20 1 1.359035e-03 3.700790e-06 ; 3.736892e-01 1.247691e-01 2.498425e-03 8.399185e-04 0.000485 0.003309 True native_MD 7 74 188 C_AB42_8 CD2_AB42_20 1 1.359035e-03 3.700790e-06 ; 3.736892e-01 1.247691e-01 2.498425e-03 8.399185e-04 0.000485 0.003309 True native_MD 7 74 189 C_AB42_8 CE1_AB42_20 1 1.362713e-03 3.148253e-06 ; 3.635891e-01 1.474616e-01 4.927114e-03 1.187285e-03 0.000485 0.003309 True native_MD 7 74 190 C_AB42_8 CE2_AB42_20 1 1.362713e-03 3.148253e-06 ; 3.635891e-01 1.474616e-01 4.927114e-03 1.187285e-03 0.000485 0.003309 True native_MD 7 74 191 C_AB42_8 CZ_AB42_20 1 1.591176e-03 4.189847e-06 ; 3.716037e-01 1.510701e-01 5.488972e-03 1.709509e-03 0.000485 0.003309 True native_MD 7 74 192 - C_AB42_8 CB_AB42_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 198 - C_AB42_8 CB_AB42_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 204 - C_AB42_8 CG_AB42_22 1 0.000000e+00 6.328736e-06 ; 3.285525e-01 -6.328736e-06 1.200741e-03 3.758595e-04 0.000485 0.000060 True native_MD 7 74 205 + C_AB42_8 CB_AB42_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 198 + C_AB42_8 CB_AB42_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 204 + C_AB42_8 CG_AB42_22 1 0.000000e+00 6.328630e-06 ; 3.285520e-01 -6.328630e-06 1.200741e-03 3.758595e-04 0.000485 0.000060 True native_MD 7 74 205 C_AB42_8 CD_AB42_22 1 1.267475e-03 4.097955e-06 ; 3.845368e-01 9.800583e-02 1.121586e-03 3.569384e-04 0.000485 0.002166 True native_MD 7 74 206 C_AB42_8 OE1_AB42_22 1 4.719170e-04 6.354095e-07 ; 3.323008e-01 8.762289e-02 8.220325e-04 3.782940e-04 0.000485 0.002166 True native_MD 7 74 207 C_AB42_8 OE2_AB42_22 1 4.719170e-04 6.354095e-07 ; 3.323008e-01 8.762289e-02 8.220325e-04 3.782940e-04 0.000485 0.002166 True native_MD 7 74 208 - C_AB42_8 CB_AB42_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 214 + C_AB42_8 CB_AB42_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 214 C_AB42_8 CA_AB42_24 1 2.423416e-03 1.251045e-05 ; 4.157263e-01 1.173608e-01 2.001624e-03 1.061349e-04 0.000485 0.001339 True native_MD 7 74 222 C_AB42_8 CB_AB42_24 1 1.069441e-03 3.556896e-06 ; 3.863543e-01 8.038642e-02 6.324588e-03 5.705278e-04 0.000485 0.000060 True native_MD 7 74 223 C_AB42_8 CG1_AB42_24 1 8.559456e-04 1.994311e-06 ; 3.641032e-01 9.184158e-02 7.460235e-03 4.776592e-04 0.000485 0.000060 True native_MD 7 74 224 - C_AB42_8 CG2_AB42_24 1 0.000000e+00 4.707555e-06 ; 3.205491e-01 -4.707555e-06 4.613698e-03 6.863499e-04 0.000485 0.000060 True native_MD 7 74 225 + C_AB42_8 CG2_AB42_24 1 0.000000e+00 4.707493e-06 ; 3.205488e-01 -4.707493e-06 4.613698e-03 6.863499e-04 0.000485 0.000060 True native_MD 7 74 225 C_AB42_8 C_AB42_24 1 1.766110e-03 7.296581e-06 ; 4.005748e-01 1.068701e-01 1.462305e-03 3.191181e-05 0.000485 0.002166 True native_MD 7 74 226 C_AB42_8 O_AB42_24 1 4.505209e-04 5.864812e-07 ; 3.304379e-01 8.651987e-02 7.953411e-04 1.668896e-04 0.000485 0.002166 True native_MD 7 74 227 C_AB42_8 N_AB42_25 1 9.368340e-04 2.037094e-06 ; 3.599356e-01 1.077095e-01 1.499507e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 74 228 @@ -19598,13 +19598,13 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_8 C_AB42_25 1 1.085106e-03 2.919567e-06 ; 3.729418e-01 1.008245e-01 1.220297e-03 1.369302e-04 0.000485 0.002166 True native_MD 7 74 231 C_AB42_8 O_AB42_25 1 5.658587e-04 7.747195e-07 ; 3.332264e-01 1.033264e-01 1.315173e-03 2.523743e-04 0.000485 0.002166 True native_MD 7 74 232 C_AB42_8 CA_AB42_26 1 1.775162e-03 6.501847e-06 ; 3.926146e-01 1.211656e-01 2.243015e-03 4.467478e-04 0.000485 0.001339 True native_MD 7 74 235 - C_AB42_8 CB_AB42_26 1 0.000000e+00 6.323359e-06 ; 3.285292e-01 -6.323359e-06 2.182747e-03 5.089449e-04 0.000485 0.000060 True native_MD 7 74 236 + C_AB42_8 CB_AB42_26 1 0.000000e+00 6.323253e-06 ; 3.285287e-01 -6.323253e-06 2.182747e-03 5.089449e-04 0.000485 0.000060 True native_MD 7 74 236 C_AB42_8 OG_AB42_26 1 5.001945e-04 5.600433e-07 ; 3.222407e-01 1.116854e-01 1.688966e-03 3.187585e-04 0.000485 0.002166 True native_MD 7 74 237 C_AB42_8 C_AB42_26 1 1.863547e-03 9.868770e-06 ; 4.174974e-01 8.797466e-02 8.307318e-04 1.440606e-06 0.000485 0.002166 True native_MD 7 74 238 C_AB42_8 O_AB42_26 1 3.903640e-04 4.487860e-07 ; 3.236644e-01 8.488681e-02 7.574066e-04 7.939905e-05 0.000485 0.002166 True native_MD 7 74 239 C_AB42_8 N_AB42_27 1 7.898338e-04 2.190541e-06 ; 3.748314e-01 7.119673e-02 5.028097e-04 2.657383e-05 0.000485 0.002166 True native_MD 7 74 240 C_AB42_8 CA_AB42_27 1 2.796497e-03 1.717121e-05 ; 4.279218e-01 1.138591e-01 1.802488e-03 2.187490e-04 0.000485 0.001339 True native_MD 7 74 242 - C_AB42_8 CB_AB42_27 1 0.000000e+00 6.322982e-06 ; 3.285276e-01 -6.322982e-06 2.064447e-03 3.311655e-04 0.000485 0.000060 True native_MD 7 74 243 + C_AB42_8 CB_AB42_27 1 0.000000e+00 6.322876e-06 ; 3.285271e-01 -6.322876e-06 2.064447e-03 3.311655e-04 0.000485 0.000060 True native_MD 7 74 243 C_AB42_8 CG_AB42_27 1 1.393680e-03 4.698499e-06 ; 3.872273e-01 1.033492e-01 1.316067e-03 2.271542e-04 0.000485 0.002166 True native_MD 7 74 244 C_AB42_8 OD1_AB42_27 1 6.577359e-04 1.092619e-06 ; 3.441408e-01 9.898617e-02 1.154978e-03 1.745050e-04 0.000485 0.002166 True native_MD 7 74 245 C_AB42_8 ND2_AB42_27 1 8.195802e-04 1.472990e-06 ; 3.486862e-01 1.140048e-01 1.810363e-03 4.148128e-04 0.000485 0.002166 True native_MD 7 74 246 @@ -19625,7 +19625,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_8 O_AB42_29 1 6.342663e-04 9.275336e-07 ; 3.369067e-01 1.084310e-01 1.532236e-03 1.451894e-04 0.000485 0.002166 True native_MD 7 74 263 C_AB42_8 N_AB42_30 1 9.747844e-04 2.970675e-06 ; 3.807657e-01 7.996537e-02 6.536823e-04 1.357945e-06 0.000485 0.002166 True native_MD 7 74 264 C_AB42_8 CA_AB42_30 1 1.409901e-03 3.749303e-06 ; 3.722148e-01 1.325460e-01 3.153116e-03 3.351464e-04 0.000485 0.001339 True native_MD 7 74 266 - C_AB42_8 CB_AB42_30 1 0.000000e+00 4.715183e-06 ; 3.205924e-01 -4.715183e-06 2.779524e-03 4.662918e-04 0.000485 0.000060 True native_MD 7 74 267 + C_AB42_8 CB_AB42_30 1 0.000000e+00 4.715121e-06 ; 3.205920e-01 -4.715121e-06 2.779524e-03 4.662918e-04 0.000485 0.000060 True native_MD 7 74 267 C_AB42_8 C_AB42_30 1 1.392818e-03 4.450323e-06 ; 3.837805e-01 1.089776e-01 1.557504e-03 7.740309e-05 0.000485 0.002166 True native_MD 7 74 268 C_AB42_8 O_AB42_30 1 4.257502e-04 4.176635e-07 ; 3.152187e-01 1.084984e-01 1.535326e-03 9.773984e-05 0.000485 0.002166 True native_MD 7 74 269 C_AB42_8 CA_AB42_31 1 3.701264e-03 2.763271e-05 ; 4.420916e-01 1.239415e-01 2.437304e-03 3.101905e-04 0.000485 0.001339 True native_MD 7 74 272 @@ -19700,11 +19700,11 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 O_AB42_8 O_AB42_8 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 75 75 O_AB42_8 H_AB42_9 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 75 77 O_AB42_8 CA_AB42_9 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 75 78 - O_AB42_8 C_AB42_9 1 0.000000e+00 8.256773e-07 ; 2.772655e-01 -8.256773e-07 9.999765e-01 9.984461e-01 0.000485 0.000060 True native_MD 4 75 79 + O_AB42_8 C_AB42_9 1 0.000000e+00 8.256735e-07 ; 2.772654e-01 -8.256735e-07 9.999765e-01 9.984461e-01 0.000485 0.000060 True native_MD 4 75 79 O_AB42_8 O_AB42_9 1 0.000000e+00 1.167998e-06 ; 2.853964e-01 -1.167998e-06 9.592079e-01 7.378731e-01 0.000485 0.000060 True native_MD 5 75 80 O_AB42_8 N_AB42_10 1 0.000000e+00 1.406206e-06 ; 2.898450e-01 -1.406206e-06 9.478276e-01 8.852984e-01 0.000485 0.000060 True native_MD 5 75 81 - O_AB42_8 H_AB42_10 1 0.000000e+00 1.538487e-08 ; 1.989541e-01 -1.538487e-08 2.450756e-01 2.366116e-01 0.000485 0.000060 True native_MD 6 75 82 - O_AB42_8 CA_AB42_10 1 0.000000e+00 3.285421e-06 ; 3.110839e-01 -3.285421e-06 6.807362e-01 4.717379e-01 0.000485 0.000060 True native_MD 6 75 83 + O_AB42_8 H_AB42_10 1 0.000000e+00 1.538511e-08 ; 1.989543e-01 -1.538511e-08 2.450756e-01 2.366116e-01 0.000485 0.000060 True native_MD 6 75 82 + O_AB42_8 CA_AB42_10 1 0.000000e+00 3.285447e-06 ; 3.110841e-01 -3.285447e-06 6.807362e-01 4.717379e-01 0.000485 0.000060 True native_MD 6 75 83 O_AB42_8 CB_AB42_10 1 1.385732e-03 4.670094e-06 ; 3.872051e-01 1.027953e-01 1.109769e-01 1.020712e-01 0.000485 0.001191 True native_MD 7 75 84 O_AB42_8 CG_AB42_10 1 1.148551e-03 2.164690e-06 ; 3.514587e-01 1.523509e-01 1.390964e-01 8.071123e-02 0.000485 0.003309 True native_MD 7 75 85 O_AB42_8 CD1_AB42_10 1 3.577436e-04 2.134226e-07 ; 2.901425e-01 1.499144e-01 1.495474e-01 9.333895e-02 0.000485 0.003309 True native_MD 7 75 86 @@ -19961,36 +19961,36 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 O_AB42_8 CB_AB42_42 1 3.801372e-04 2.902463e-07 ; 3.023229e-01 1.244669e-01 2.475931e-03 4.711531e-04 0.000485 0.001191 True native_MD 7 75 357 O_AB42_8 O1_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 75 359 O_AB42_8 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 75 360 - N_AB42_9 CA_AB42_9 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 78 - N_AB42_9 CA_AB42_10 1 0.000000e+00 7.574899e-06 ; 3.335107e-01 -7.574899e-06 1.000000e+00 9.999873e-01 0.000485 0.000060 True native_MD 4 76 83 - N_AB42_9 CB_AB42_10 1 0.000000e+00 3.914826e-06 ; 3.156611e-01 -3.914826e-06 5.615540e-01 6.264992e-01 0.000485 0.000060 True native_MD 5 76 84 - N_AB42_9 CG_AB42_10 1 0.000000e+00 1.466089e-06 ; 2.908540e-01 -1.466089e-06 1.071076e-01 7.921898e-02 0.000485 0.000060 True native_MD 6 76 85 + N_AB42_9 CA_AB42_9 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 78 + N_AB42_9 CA_AB42_10 1 0.000000e+00 7.574887e-06 ; 3.335106e-01 -7.574887e-06 1.000000e+00 9.999873e-01 0.000485 0.000060 True native_MD 4 76 83 + N_AB42_9 CB_AB42_10 1 0.000000e+00 3.914774e-06 ; 3.156607e-01 -3.914774e-06 5.615540e-01 6.264992e-01 0.000485 0.000060 True native_MD 5 76 84 + N_AB42_9 CG_AB42_10 1 0.000000e+00 1.466068e-06 ; 2.908536e-01 -1.466068e-06 1.071076e-01 7.921898e-02 0.000485 0.000060 True native_MD 6 76 85 N_AB42_9 CD1_AB42_10 1 1.511043e-03 4.141456e-06 ; 3.740928e-01 1.378290e-01 1.289542e-01 1.155537e-01 0.000485 0.003309 True native_MD 7 76 86 N_AB42_9 CD2_AB42_10 1 1.511043e-03 4.141456e-06 ; 3.740928e-01 1.378290e-01 1.289542e-01 1.155537e-01 0.000485 0.003309 True native_MD 7 76 87 N_AB42_9 CE1_AB42_10 1 1.612956e-03 4.747045e-06 ; 3.785589e-01 1.370130e-01 2.220399e-02 2.038845e-02 0.000485 0.003309 True native_MD 7 76 88 N_AB42_9 CE2_AB42_10 1 1.612956e-03 4.747045e-06 ; 3.785589e-01 1.370130e-01 2.220399e-02 2.038845e-02 0.000485 0.003309 True native_MD 7 76 89 N_AB42_9 CZ_AB42_10 1 1.294507e-03 3.192258e-06 ; 3.675634e-01 1.312353e-01 3.031826e-03 2.338568e-03 0.000485 0.003309 True native_MD 7 76 90 - N_AB42_9 C_AB42_10 1 0.000000e+00 1.514408e-06 ; 2.916410e-01 -1.514408e-06 1.117782e-01 1.159287e-01 0.000485 0.000060 True native_MD 5 76 92 + N_AB42_9 C_AB42_10 1 0.000000e+00 1.514387e-06 ; 2.916407e-01 -1.514387e-06 1.117782e-01 1.159287e-01 0.000485 0.000060 True native_MD 5 76 92 N_AB42_9 O_AB42_10 1 0.000000e+00 1.672083e-06 ; 2.940581e-01 -1.672083e-06 8.888673e-02 2.036086e-01 0.000485 0.000060 True native_MD 6 76 93 - N_AB42_9 N_AB42_11 1 0.000000e+00 8.147757e-07 ; 2.769586e-01 -8.147757e-07 1.401026e-01 7.096201e-02 0.000485 0.000060 True native_MD 6 76 94 + N_AB42_9 N_AB42_11 1 0.000000e+00 8.147671e-07 ; 2.769583e-01 -8.147671e-07 1.401026e-01 7.096201e-02 0.000485 0.000060 True native_MD 6 76 94 N_AB42_9 CA_AB42_11 1 5.370405e-03 5.418158e-05 ; 4.648442e-01 1.330768e-01 7.125226e-02 2.977740e-02 0.000485 0.001339 True native_MD 7 76 96 - N_AB42_9 CB_AB42_11 1 0.000000e+00 3.651587e-06 ; 3.138353e-01 -3.651587e-06 1.651347e-02 9.850160e-03 0.000485 0.000060 True native_MD 7 76 97 - N_AB42_9 CG_AB42_11 1 0.000000e+00 3.571902e-06 ; 3.132588e-01 -3.571902e-06 5.084111e-02 2.250123e-02 0.000485 0.000060 True native_MD 7 76 98 + N_AB42_9 CB_AB42_11 1 0.000000e+00 3.651539e-06 ; 3.138350e-01 -3.651539e-06 1.651347e-02 9.850160e-03 0.000485 0.000060 True native_MD 7 76 97 + N_AB42_9 CG_AB42_11 1 0.000000e+00 3.571855e-06 ; 3.132585e-01 -3.571855e-06 5.084111e-02 2.250123e-02 0.000485 0.000060 True native_MD 7 76 98 N_AB42_9 CD_AB42_11 1 6.240023e-04 5.709502e-07 ; 3.115794e-01 1.704960e-01 1.536969e-02 3.391306e-03 0.000485 0.002166 True native_MD 7 76 99 N_AB42_9 OE1_AB42_11 1 1.720428e-04 4.283156e-08 ; 2.508156e-01 1.727624e-01 2.308364e-02 4.759533e-03 0.000485 0.002166 True native_MD 7 76 100 N_AB42_9 OE2_AB42_11 1 1.720428e-04 4.283156e-08 ; 2.508156e-01 1.727624e-01 2.308364e-02 4.759533e-03 0.000485 0.002166 True native_MD 7 76 101 N_AB42_9 C_AB42_11 1 1.038477e-03 2.922075e-06 ; 3.757356e-01 9.226621e-02 9.445755e-04 4.169228e-04 0.000485 0.002166 True native_MD 7 76 102 N_AB42_9 O_AB42_11 1 4.450888e-04 4.086752e-07 ; 3.117611e-01 1.211868e-01 9.867512e-03 9.523064e-03 0.000485 0.002166 True native_MD 7 76 103 - N_AB42_9 N_AB42_12 1 0.000000e+00 8.742650e-07 ; 2.785898e-01 -8.742650e-07 2.171159e-03 9.955581e-04 0.000485 0.000060 True native_MD 7 76 104 + N_AB42_9 N_AB42_12 1 0.000000e+00 8.742558e-07 ; 2.785896e-01 -8.742558e-07 2.171159e-03 9.955581e-04 0.000485 0.000060 True native_MD 7 76 104 N_AB42_9 CA_AB42_12 1 5.192216e-03 3.996096e-05 ; 4.443384e-01 1.686591e-01 3.485522e-02 5.022332e-03 0.000485 0.001339 True native_MD 7 76 106 - N_AB42_9 CB_AB42_12 1 0.000000e+00 7.002102e-06 ; 3.313325e-01 -7.002102e-06 9.647621e-02 2.084679e-02 0.000485 0.000060 True native_MD 7 76 107 - N_AB42_9 CG1_AB42_12 1 0.000000e+00 2.586396e-06 ; 3.049436e-01 -2.586396e-06 7.058019e-02 1.351327e-02 0.000485 0.000060 True native_MD 7 76 108 - N_AB42_9 CG2_AB42_12 1 0.000000e+00 2.553594e-06 ; 3.046195e-01 -2.553594e-06 1.045385e-01 3.551289e-02 0.000485 0.000060 True native_MD 7 76 109 + N_AB42_9 CB_AB42_12 1 0.000000e+00 7.002091e-06 ; 3.313325e-01 -7.002091e-06 9.647621e-02 2.084679e-02 0.000485 0.000060 True native_MD 7 76 107 + N_AB42_9 CG1_AB42_12 1 0.000000e+00 2.586371e-06 ; 3.049434e-01 -2.586371e-06 7.058019e-02 1.351327e-02 0.000485 0.000060 True native_MD 7 76 108 + N_AB42_9 CG2_AB42_12 1 0.000000e+00 2.553570e-06 ; 3.046192e-01 -2.553570e-06 1.045385e-01 3.551289e-02 0.000485 0.000060 True native_MD 7 76 109 N_AB42_9 C_AB42_12 1 1.630575e-03 3.816484e-06 ; 3.643794e-01 1.741639e-01 1.095555e-02 1.562216e-03 0.000485 0.002166 True native_MD 7 76 110 N_AB42_9 O_AB42_12 1 1.739892e-04 5.053154e-08 ; 2.573397e-01 1.497690e-01 2.279259e-02 9.351670e-03 0.000485 0.002166 True native_MD 7 76 111 N_AB42_9 N_AB42_13 1 1.205576e-03 3.557375e-06 ; 3.787237e-01 1.021409e-01 1.899689e-03 8.936995e-05 0.000485 0.000060 True native_MD 7 76 112 N_AB42_9 CA_AB42_13 1 2.445572e-03 8.368762e-06 ; 3.881922e-01 1.786651e-01 2.249901e-02 2.403012e-03 0.000485 0.001339 True native_MD 7 76 114 - N_AB42_9 CB_AB42_13 1 0.000000e+00 3.638608e-06 ; 3.137422e-01 -3.638608e-06 1.372920e-02 3.535249e-03 0.000485 0.000060 True native_MD 7 76 115 + N_AB42_9 CB_AB42_13 1 0.000000e+00 3.638560e-06 ; 3.137419e-01 -3.638560e-06 1.372920e-02 3.535249e-03 0.000485 0.000060 True native_MD 7 76 115 N_AB42_9 CG_AB42_13 1 8.719489e-04 1.250212e-06 ; 3.358011e-01 1.520332e-01 5.649469e-03 1.151499e-03 0.000485 0.002166 True native_MD 7 76 116 N_AB42_9 ND1_AB42_13 1 2.371559e-04 1.010504e-07 ; 2.743157e-01 1.391456e-01 6.344536e-03 3.577340e-03 0.000485 0.002166 True native_MD 7 76 117 N_AB42_9 CD2_AB42_13 1 1.122818e-03 1.847888e-06 ; 3.436063e-01 1.705622e-01 1.096746e-02 3.690049e-03 0.000485 0.003309 True native_MD 7 76 118 @@ -20021,9 +20021,9 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_9 CA_AB42_16 1 2.161450e-03 6.107040e-06 ; 3.759940e-01 1.912493e-01 1.826780e-02 3.967504e-04 0.000485 0.001339 True native_MD 7 76 146 N_AB42_9 CB_AB42_16 1 1.066720e-03 3.300775e-06 ; 3.817341e-01 8.618365e-02 3.748000e-03 2.842493e-04 0.000485 0.000060 True native_MD 7 76 147 N_AB42_9 CG_AB42_16 1 1.069915e-03 3.040727e-06 ; 3.763611e-01 9.411553e-02 5.527725e-03 3.306422e-04 0.000485 0.000060 True native_MD 7 76 148 - N_AB42_9 CD_AB42_16 1 0.000000e+00 3.664668e-06 ; 3.139288e-01 -3.664668e-06 4.139662e-03 1.034724e-03 0.000485 0.000060 True native_MD 7 76 149 - N_AB42_9 CE_AB42_16 1 0.000000e+00 3.664566e-06 ; 3.139281e-01 -3.664566e-06 4.368936e-03 1.236341e-03 0.000485 0.000060 True native_MD 7 76 150 - N_AB42_9 NZ_AB42_16 1 0.000000e+00 8.738588e-07 ; 2.785790e-01 -8.738588e-07 2.500682e-03 8.609706e-04 0.000485 0.000060 True native_MD 7 76 151 + N_AB42_9 CD_AB42_16 1 0.000000e+00 3.664619e-06 ; 3.139285e-01 -3.664619e-06 4.139662e-03 1.034724e-03 0.000485 0.000060 True native_MD 7 76 149 + N_AB42_9 CE_AB42_16 1 0.000000e+00 3.664518e-06 ; 3.139278e-01 -3.664518e-06 4.368936e-03 1.236341e-03 0.000485 0.000060 True native_MD 7 76 150 + N_AB42_9 NZ_AB42_16 1 0.000000e+00 8.738496e-07 ; 2.785788e-01 -8.738496e-07 2.500682e-03 8.609706e-04 0.000485 0.000060 True native_MD 7 76 151 N_AB42_9 C_AB42_16 1 8.927971e-04 1.266876e-06 ; 3.352202e-01 1.572937e-01 6.612678e-03 4.993928e-05 0.000485 0.002166 True native_MD 7 76 152 N_AB42_9 O_AB42_16 1 1.954565e-04 6.808098e-08 ; 2.652544e-01 1.402861e-01 3.974981e-03 1.012382e-04 0.000485 0.002166 True native_MD 7 76 153 N_AB42_9 N_AB42_17 1 7.297017e-04 8.366948e-07 ; 3.235219e-01 1.590976e-01 6.979461e-03 9.370647e-08 0.000485 0.000060 True native_MD 7 76 154 @@ -20036,12 +20036,12 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_9 O_AB42_17 1 1.261413e-04 3.780086e-08 ; 2.586867e-01 1.052332e-01 1.392399e-03 2.626443e-04 0.000485 0.002166 True native_MD 7 76 162 N_AB42_9 N_AB42_18 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 3.016512e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 76 163 N_AB42_9 CA_AB42_18 1 1.664367e-03 7.504706e-06 ; 4.064565e-01 9.227940e-02 9.449484e-04 3.540098e-04 0.000485 0.001339 True native_MD 7 76 165 - N_AB42_9 CB_AB42_18 1 0.000000e+00 7.562199e-06 ; 3.334640e-01 -7.562199e-06 2.528714e-03 8.394483e-04 0.000485 0.000060 True native_MD 7 76 166 - N_AB42_9 CG1_AB42_18 1 0.000000e+00 2.740095e-06 ; 3.064141e-01 -2.740095e-06 1.808208e-03 7.759488e-04 0.000485 0.000060 True native_MD 7 76 167 - N_AB42_9 CG2_AB42_18 1 0.000000e+00 2.736858e-06 ; 3.063840e-01 -2.736858e-06 2.911489e-03 6.993125e-04 0.000485 0.000060 True native_MD 7 76 168 + N_AB42_9 CB_AB42_18 1 0.000000e+00 7.562187e-06 ; 3.334640e-01 -7.562187e-06 2.528714e-03 8.394483e-04 0.000485 0.000060 True native_MD 7 76 166 + N_AB42_9 CG1_AB42_18 1 0.000000e+00 2.740069e-06 ; 3.064139e-01 -2.740069e-06 1.808208e-03 7.759488e-04 0.000485 0.000060 True native_MD 7 76 167 + N_AB42_9 CG2_AB42_18 1 0.000000e+00 2.736832e-06 ; 3.063837e-01 -2.736832e-06 2.911489e-03 6.993125e-04 0.000485 0.000060 True native_MD 7 76 168 N_AB42_9 N_AB42_19 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.491176e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 76 171 N_AB42_9 CA_AB42_19 1 2.805610e-03 1.993174e-05 ; 4.384496e-01 9.873007e-02 1.146160e-03 6.620447e-05 0.000485 0.001339 True native_MD 7 76 173 - N_AB42_9 CB_AB42_19 1 0.000000e+00 3.668282e-06 ; 3.139546e-01 -3.668282e-06 2.534374e-03 4.125376e-04 0.000485 0.000060 True native_MD 7 76 174 + N_AB42_9 CB_AB42_19 1 0.000000e+00 3.668233e-06 ; 3.139543e-01 -3.668233e-06 2.534374e-03 4.125376e-04 0.000485 0.000060 True native_MD 7 76 174 N_AB42_9 CG_AB42_19 1 5.756999e-04 6.767425e-07 ; 3.248662e-01 1.224359e-01 2.329927e-03 2.330530e-04 0.000485 0.003309 True native_MD 7 76 175 N_AB42_9 CD1_AB42_19 1 4.323698e-04 3.754403e-07 ; 3.088737e-01 1.244829e-01 2.477117e-03 3.988999e-04 0.000485 0.003309 True native_MD 7 76 176 N_AB42_9 CD2_AB42_19 1 4.323698e-04 3.754403e-07 ; 3.088737e-01 1.244829e-01 2.477117e-03 3.988999e-04 0.000485 0.003309 True native_MD 7 76 177 @@ -20051,7 +20051,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_9 O_AB42_19 1 1.493648e-04 5.537229e-08 ; 2.680242e-01 1.007266e-01 1.216729e-03 2.955030e-04 0.000485 0.002166 True native_MD 7 76 182 N_AB42_9 N_AB42_20 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 76 183 N_AB42_9 CA_AB42_20 1 1.176926e-03 4.720565e-06 ; 3.986032e-01 7.335745e-02 5.363964e-04 1.230861e-04 0.000485 0.001339 True native_MD 7 76 185 - N_AB42_9 CB_AB42_20 1 0.000000e+00 3.672129e-06 ; 3.139821e-01 -3.672129e-06 1.458835e-03 3.836855e-04 0.000485 0.000060 True native_MD 7 76 186 + N_AB42_9 CB_AB42_20 1 0.000000e+00 3.672081e-06 ; 3.139817e-01 -3.672081e-06 1.458835e-03 3.836855e-04 0.000485 0.000060 True native_MD 7 76 186 N_AB42_9 CG_AB42_20 1 4.717802e-04 5.136013e-07 ; 3.207360e-01 1.083411e-01 1.528119e-03 2.147603e-04 0.000485 0.003309 True native_MD 7 76 187 N_AB42_9 CD1_AB42_20 1 4.464031e-04 4.121359e-07 ; 3.120462e-01 1.208798e-01 2.223917e-03 3.957197e-04 0.000485 0.003309 True native_MD 7 76 188 N_AB42_9 CD2_AB42_20 1 4.464031e-04 4.121359e-07 ; 3.120462e-01 1.208798e-01 2.223917e-03 3.957197e-04 0.000485 0.003309 True native_MD 7 76 189 @@ -20059,16 +20059,16 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_9 CE2_AB42_20 1 5.184625e-04 4.779345e-07 ; 3.119669e-01 1.406068e-01 4.013313e-03 8.534829e-04 0.000485 0.003309 True native_MD 7 76 191 N_AB42_9 CZ_AB42_20 1 7.040480e-04 8.580880e-07 ; 3.268298e-01 1.444151e-01 4.497788e-03 1.196682e-03 0.000485 0.003309 True native_MD 7 76 192 N_AB42_9 N_AB42_21 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 5.239402e-07 1.340861e-05 0.000485 0.000060 True native_MD 7 76 195 - N_AB42_9 CB_AB42_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 198 + N_AB42_9 CB_AB42_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 198 N_AB42_9 N_AB42_22 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.099686e-05 0.000000e+00 0.000485 0.000060 True native_MD 7 76 201 - N_AB42_9 CB_AB42_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 204 - N_AB42_9 CG_AB42_22 1 0.000000e+00 3.672713e-06 ; 3.139862e-01 -3.672713e-06 1.104173e-03 1.878746e-04 0.000485 0.000060 True native_MD 7 76 205 + N_AB42_9 CB_AB42_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 204 + N_AB42_9 CG_AB42_22 1 0.000000e+00 3.672665e-06 ; 3.139859e-01 -3.672665e-06 1.104173e-03 1.878746e-04 0.000485 0.000060 True native_MD 7 76 205 N_AB42_9 CD_AB42_22 1 2.671459e-04 1.797615e-07 ; 2.960225e-01 9.925224e-02 1.164211e-03 2.766920e-04 0.000485 0.002166 True native_MD 7 76 206 N_AB42_9 OE1_AB42_22 1 9.760111e-05 2.400906e-08 ; 2.503149e-01 9.919147e-02 1.162096e-03 6.509148e-04 0.000485 0.002166 True native_MD 7 76 207 N_AB42_9 OE2_AB42_22 1 9.760111e-05 2.400906e-08 ; 2.503149e-01 9.919147e-02 1.162096e-03 6.509148e-04 0.000485 0.002166 True native_MD 7 76 208 N_AB42_9 N_AB42_23 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.392438e-05 0.000000e+00 0.000485 0.000060 True native_MD 7 76 211 N_AB42_9 CA_AB42_23 1 1.270995e-03 5.419819e-06 ; 4.026925e-01 7.451485e-02 5.553007e-04 9.999681e-05 0.000485 0.001339 True native_MD 7 76 213 - N_AB42_9 CB_AB42_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 214 + N_AB42_9 CB_AB42_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 214 N_AB42_9 N_AB42_24 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.691613e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 76 220 N_AB42_9 CA_AB42_24 1 2.216986e-03 1.188886e-05 ; 4.183723e-01 1.033536e-01 1.316242e-03 1.035450e-04 0.000485 0.001339 True native_MD 7 76 222 N_AB42_9 CB_AB42_24 1 1.351277e-03 4.901309e-06 ; 3.919776e-01 9.313585e-02 6.901107e-03 4.250727e-04 0.000485 0.000060 True native_MD 7 76 223 @@ -20082,7 +20082,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_9 O_AB42_25 1 1.562677e-04 5.379120e-08 ; 2.647323e-01 1.134925e-01 1.782823e-03 2.800582e-04 0.000485 0.002166 True native_MD 7 76 232 N_AB42_9 N_AB42_26 1 4.907091e-04 7.742684e-07 ; 3.412017e-01 7.774935e-02 6.117385e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 76 233 N_AB42_9 CA_AB42_26 1 9.239127e-04 1.700974e-06 ; 3.500885e-01 1.254597e-01 2.550594e-03 3.005652e-04 0.000485 0.001339 True native_MD 7 76 235 - N_AB42_9 CB_AB42_26 1 0.000000e+00 3.668818e-06 ; 3.139585e-01 -3.668818e-06 2.318390e-03 3.425518e-04 0.000485 0.000060 True native_MD 7 76 236 + N_AB42_9 CB_AB42_26 1 0.000000e+00 3.668770e-06 ; 3.139581e-01 -3.668770e-06 2.318390e-03 3.425518e-04 0.000485 0.000060 True native_MD 7 76 236 N_AB42_9 OG_AB42_26 1 1.485784e-04 5.511919e-08 ; 2.680554e-01 1.001263e-01 1.195067e-03 2.131051e-04 0.000485 0.002166 True native_MD 7 76 237 N_AB42_9 C_AB42_26 1 7.104713e-04 1.354629e-06 ; 3.521375e-01 9.315641e-02 9.700772e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 76 238 N_AB42_9 O_AB42_26 1 9.980001e-05 2.659055e-08 ; 2.536683e-01 9.364266e-02 9.842965e-04 8.760462e-05 0.000485 0.002166 True native_MD 7 76 239 @@ -20099,7 +20099,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_9 CB_AB42_28 1 1.125302e-03 2.889389e-06 ; 3.700464e-01 1.095651e-01 1.585130e-03 0.000000e+00 0.000485 0.000060 True native_MD 7 76 252 N_AB42_9 CG_AB42_28 1 1.326246e-03 3.982437e-06 ; 3.798284e-01 1.104179e-01 1.626101e-03 0.000000e+00 0.000485 0.000060 True native_MD 7 76 253 N_AB42_9 CD_AB42_28 1 1.276287e-03 3.576333e-06 ; 3.754755e-01 1.138672e-01 1.802925e-03 5.057680e-05 0.000485 0.000060 True native_MD 7 76 254 - N_AB42_9 CE_AB42_28 1 0.000000e+00 3.670364e-06 ; 3.139695e-01 -3.670364e-06 1.808953e-03 2.536175e-04 0.000485 0.000060 True native_MD 7 76 255 + N_AB42_9 CE_AB42_28 1 0.000000e+00 3.670316e-06 ; 3.139691e-01 -3.670316e-06 1.808953e-03 2.536175e-04 0.000485 0.000060 True native_MD 7 76 255 N_AB42_9 NZ_AB42_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 4.670257e-04 1.346240e-04 0.000485 0.000060 True native_MD 7 76 256 N_AB42_9 C_AB42_28 1 8.829663e-04 2.012200e-06 ; 3.627615e-01 9.686281e-02 1.083870e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 76 257 N_AB42_9 O_AB42_28 1 1.113479e-04 2.868407e-08 ; 2.522473e-01 1.080595e-01 1.515293e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 76 258 @@ -20189,7 +20189,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_9 O1_AB42_42 1 6.905909e-05 1.648849e-08 ; 2.490730e-01 7.231042e-02 5.198498e-04 1.000220e-04 0.000485 0.002166 True native_MD 7 76 359 N_AB42_9 O2_AB42_42 1 6.905909e-05 1.648849e-08 ; 2.490730e-01 7.231042e-02 5.198498e-04 1.000220e-04 0.000485 0.002166 True native_MD 7 76 360 H_AB42_9 H_AB42_9 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 77 77 - H_AB42_9 O_AB42_9 1 0.000000e+00 1.649389e-08 ; 2.001114e-01 -1.649389e-08 1.046419e-01 1.676528e-01 0.000485 0.000060 True native_MD 4 77 80 + H_AB42_9 O_AB42_9 1 0.000000e+00 1.649415e-08 ; 2.001117e-01 -1.649415e-08 1.046419e-01 1.676528e-01 0.000485 0.000060 True native_MD 4 77 80 H_AB42_9 H_AB42_10 1 0.000000e+00 1.330958e-08 ; 1.965661e-01 -1.330958e-08 6.314697e-01 7.406010e-01 0.000485 0.000060 True native_MD 5 77 82 H_AB42_9 OH_AB42_10 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 77 91 H_AB42_9 O_AB42_10 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 77 93 @@ -20267,21 +20267,21 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 H_AB42_9 H_AB42_42 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 77 355 H_AB42_9 O1_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 77 359 H_AB42_9 O2_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 77 360 - CA_AB42_9 C_AB42_9 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 79 + CA_AB42_9 C_AB42_9 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 79 CA_AB42_9 O_AB42_9 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 80 - CA_AB42_9 N_AB42_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 81 - CA_AB42_9 CB_AB42_10 1 0.000000e+00 1.543896e-05 ; 3.538994e-01 -1.543896e-05 9.999962e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 78 84 - CA_AB42_9 CG_AB42_10 1 0.000000e+00 5.847518e-06 ; 3.263943e-01 -5.847518e-06 6.936973e-01 6.168981e-01 0.000485 0.000060 True native_MD 5 78 85 - CA_AB42_9 CD1_AB42_10 1 0.000000e+00 5.899538e-06 ; 3.266353e-01 -5.899538e-06 4.183845e-01 3.497982e-01 0.000485 0.000060 True native_MD 6 78 86 - CA_AB42_9 CD2_AB42_10 1 0.000000e+00 5.899538e-06 ; 3.266353e-01 -5.899538e-06 4.183845e-01 3.497982e-01 0.000485 0.000060 True native_MD 6 78 87 + CA_AB42_9 N_AB42_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 81 + CA_AB42_9 CB_AB42_10 1 0.000000e+00 1.543871e-05 ; 3.538989e-01 -1.543871e-05 9.999962e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 78 84 + CA_AB42_9 CG_AB42_10 1 0.000000e+00 5.847420e-06 ; 3.263939e-01 -5.847420e-06 6.936973e-01 6.168981e-01 0.000485 0.000060 True native_MD 5 78 85 + CA_AB42_9 CD1_AB42_10 1 0.000000e+00 5.899439e-06 ; 3.266349e-01 -5.899439e-06 4.183845e-01 3.497982e-01 0.000485 0.000060 True native_MD 6 78 86 + CA_AB42_9 CD2_AB42_10 1 0.000000e+00 5.899439e-06 ; 3.266349e-01 -5.899439e-06 4.183845e-01 3.497982e-01 0.000485 0.000060 True native_MD 6 78 87 CA_AB42_9 CE1_AB42_10 1 3.475241e-03 2.254700e-05 ; 4.318676e-01 1.339125e-01 1.358164e-01 9.642972e-02 0.000485 0.002332 True native_MD 7 78 88 CA_AB42_9 CE2_AB42_10 1 3.475241e-03 2.254700e-05 ; 4.318676e-01 1.339125e-01 1.358164e-01 9.642972e-02 0.000485 0.002332 True native_MD 7 78 89 CA_AB42_9 CZ_AB42_10 1 4.566008e-03 3.699186e-05 ; 4.481550e-01 1.408987e-01 2.981203e-02 1.717326e-02 0.000485 0.002332 True native_MD 7 78 90 - CA_AB42_9 OH_AB42_10 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 91 - CA_AB42_9 C_AB42_10 1 0.000000e+00 6.333752e-06 ; 3.285742e-01 -6.333752e-06 1.000000e+00 9.999670e-01 0.000485 0.000060 True native_MD 4 78 92 - CA_AB42_9 O_AB42_10 1 0.000000e+00 2.316754e-06 ; 3.021586e-01 -2.316754e-06 2.231738e-01 3.725531e-01 0.000485 0.000060 True native_MD 5 78 93 - CA_AB42_9 N_AB42_11 1 0.000000e+00 2.769210e-06 ; 3.066841e-01 -2.769210e-06 6.708276e-01 4.241323e-01 0.000485 0.000060 True native_MD 5 78 94 - CA_AB42_9 CA_AB42_11 1 0.000000e+00 2.372788e-05 ; 3.668033e-01 -2.372788e-05 6.300372e-01 3.758766e-01 0.000485 0.000060 True native_MD 6 78 96 + CA_AB42_9 OH_AB42_10 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 91 + CA_AB42_9 C_AB42_10 1 0.000000e+00 6.333646e-06 ; 3.285737e-01 -6.333646e-06 1.000000e+00 9.999670e-01 0.000485 0.000060 True native_MD 4 78 92 + CA_AB42_9 O_AB42_10 1 0.000000e+00 2.316745e-06 ; 3.021585e-01 -2.316745e-06 2.231738e-01 3.725531e-01 0.000485 0.000060 True native_MD 5 78 93 + CA_AB42_9 N_AB42_11 1 0.000000e+00 2.769173e-06 ; 3.066838e-01 -2.769173e-06 6.708276e-01 4.241323e-01 0.000485 0.000060 True native_MD 5 78 94 + CA_AB42_9 CA_AB42_11 1 0.000000e+00 2.372778e-05 ; 3.668032e-01 -2.372778e-05 6.300372e-01 3.758766e-01 0.000485 0.000060 True native_MD 6 78 96 CA_AB42_9 CB_AB42_11 1 5.890965e-03 7.274295e-05 ; 4.807664e-01 1.192675e-01 1.832085e-01 1.028996e-01 0.000485 0.001190 True native_MD 7 78 97 CA_AB42_9 CG_AB42_11 1 2.276535e-03 1.078527e-05 ; 4.098196e-01 1.201317e-01 2.066550e-01 1.131050e-01 0.000485 0.001190 True native_MD 7 78 98 CA_AB42_9 CD_AB42_11 1 1.799829e-03 5.081182e-06 ; 3.759432e-01 1.593814e-01 7.400079e-02 1.665123e-02 0.000485 0.001584 True native_MD 7 78 99 @@ -20360,7 +20360,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CA_AB42_9 CZ_AB42_19 1 9.727295e-04 1.551566e-06 ; 3.418191e-01 1.524593e-01 1.118166e-02 4.557416e-03 0.000485 0.002332 True native_MD 7 78 180 CA_AB42_9 C_AB42_19 1 1.901018e-03 7.907338e-06 ; 4.010274e-01 1.142568e-01 1.824070e-03 4.799159e-04 0.000485 0.001584 True native_MD 7 78 181 CA_AB42_9 O_AB42_19 1 3.967051e-04 3.493286e-07 ; 3.095953e-01 1.126267e-01 1.737222e-03 5.764414e-04 0.000485 0.001584 True native_MD 7 78 182 - CA_AB42_9 N_AB42_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 183 + CA_AB42_9 N_AB42_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 183 CA_AB42_9 CA_AB42_20 1 2.719832e-03 1.657797e-05 ; 4.273971e-01 1.115560e-01 2.719009e-03 1.649931e-03 0.000485 0.001021 True native_MD 7 78 185 CA_AB42_9 CB_AB42_20 1 1.295783e-03 3.482116e-06 ; 3.728652e-01 1.205484e-01 4.358265e-03 2.355774e-03 0.000485 0.001190 True native_MD 7 78 186 CA_AB42_9 CG_AB42_20 1 1.318273e-03 2.964822e-06 ; 3.619641e-01 1.465387e-01 4.792893e-03 1.871540e-03 0.000485 0.002332 True native_MD 7 78 187 @@ -20369,28 +20369,28 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CA_AB42_9 CE1_AB42_20 1 7.740884e-04 9.889342e-07 ; 3.294045e-01 1.514795e-01 9.512573e-03 3.992499e-03 0.000485 0.002332 True native_MD 7 78 190 CA_AB42_9 CE2_AB42_20 1 7.740884e-04 9.889342e-07 ; 3.294045e-01 1.514795e-01 9.512573e-03 3.992499e-03 0.000485 0.002332 True native_MD 7 78 191 CA_AB42_9 CZ_AB42_20 1 1.135452e-03 2.060226e-06 ; 3.492403e-01 1.564453e-01 1.073069e-02 3.881819e-03 0.000485 0.002332 True native_MD 7 78 192 - CA_AB42_9 C_AB42_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 193 + CA_AB42_9 C_AB42_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 193 CA_AB42_9 O_AB42_20 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 194 - CA_AB42_9 N_AB42_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 195 + CA_AB42_9 N_AB42_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 195 CA_AB42_9 CA_AB42_21 1 2.121721e-03 1.218823e-05 ; 4.231965e-01 9.233702e-02 1.702819e-03 1.836564e-03 0.000485 0.001021 True native_MD 7 78 197 CA_AB42_9 CB_AB42_21 1 1.007292e-03 2.427063e-06 ; 3.661460e-01 1.045128e-01 1.362703e-03 1.783518e-03 0.000485 0.002332 True native_MD 7 78 198 CA_AB42_9 C_AB42_21 1 1.273261e-03 5.183658e-06 ; 3.995948e-01 7.818769e-02 6.198161e-04 2.545883e-04 0.000485 0.001584 True native_MD 7 78 199 CA_AB42_9 O_AB42_21 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 200 - CA_AB42_9 N_AB42_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 201 + CA_AB42_9 N_AB42_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 201 CA_AB42_9 CA_AB42_22 1 3.343148e-03 2.849888e-05 ; 4.519725e-01 9.804454e-02 1.122886e-03 8.942268e-04 0.000485 0.001021 True native_MD 7 78 203 CA_AB42_9 CB_AB42_22 1 8.160856e-04 1.984855e-06 ; 3.667180e-01 8.388467e-02 7.350291e-04 9.126175e-04 0.000485 0.001190 True native_MD 7 78 204 CA_AB42_9 CG_AB42_22 1 9.424739e-04 2.220664e-06 ; 3.647838e-01 9.999906e-02 1.361292e-03 1.360957e-03 0.000485 0.001190 True native_MD 7 78 205 CA_AB42_9 CD_AB42_22 1 9.038241e-04 1.864734e-06 ; 3.567978e-01 1.095193e-01 1.582960e-03 1.247478e-03 0.000485 0.001584 True native_MD 7 78 206 CA_AB42_9 OE1_AB42_22 1 4.582668e-04 5.097376e-07 ; 3.218879e-01 1.029983e-01 1.302322e-03 1.036675e-03 0.000485 0.001584 True native_MD 7 78 207 CA_AB42_9 OE2_AB42_22 1 4.582668e-04 5.097376e-07 ; 3.218879e-01 1.029983e-01 1.302322e-03 1.036675e-03 0.000485 0.001584 True native_MD 7 78 208 - CA_AB42_9 C_AB42_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 209 + CA_AB42_9 C_AB42_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 209 CA_AB42_9 O_AB42_22 1 2.639063e-04 2.344876e-07 ; 3.100595e-01 7.425397e-02 5.509822e-04 3.474944e-04 0.000485 0.001584 True native_MD 7 78 210 - CA_AB42_9 N_AB42_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 211 + CA_AB42_9 N_AB42_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 211 CA_AB42_9 CB_AB42_23 1 9.243107e-04 2.511128e-06 ; 3.735440e-01 8.505643e-02 7.612610e-04 5.066812e-04 0.000485 0.001190 True native_MD 7 78 214 CA_AB42_9 CG_AB42_23 1 8.434925e-04 1.904945e-06 ; 3.622154e-01 9.337272e-02 9.763772e-04 5.444978e-04 0.000485 0.001584 True native_MD 7 78 215 CA_AB42_9 OD1_AB42_23 1 4.375688e-04 5.630635e-07 ; 3.298009e-01 8.501103e-02 7.602273e-04 3.872394e-04 0.000485 0.001584 True native_MD 7 78 216 CA_AB42_9 OD2_AB42_23 1 4.375688e-04 5.630635e-07 ; 3.298009e-01 8.501103e-02 7.602273e-04 3.872394e-04 0.000485 0.001584 True native_MD 7 78 217 - CA_AB42_9 C_AB42_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 218 + CA_AB42_9 C_AB42_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 218 CA_AB42_9 O_AB42_23 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 219 CA_AB42_9 N_AB42_24 1 1.183635e-03 4.521865e-06 ; 3.953817e-01 7.745657e-02 6.064022e-04 1.065327e-04 0.000485 0.001584 True native_MD 7 78 220 CA_AB42_9 CA_AB42_24 1 5.233387e-03 4.195962e-05 ; 4.473782e-01 1.631827e-01 7.887060e-03 5.513299e-04 0.000485 0.001021 True native_MD 7 78 222 @@ -20514,33 +20514,33 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CA_AB42_9 C_AB42_42 1 6.554902e-04 1.027644e-06 ; 3.408365e-01 1.045273e-01 1.363297e-03 2.678149e-04 0.000485 0.001584 True native_MD 7 78 358 CA_AB42_9 O1_AB42_42 1 3.075260e-04 2.380792e-07 ; 3.030214e-01 9.930753e-02 1.166139e-03 1.498986e-04 0.000485 0.001584 True native_MD 7 78 359 CA_AB42_9 O2_AB42_42 1 3.075260e-04 2.380792e-07 ; 3.030214e-01 9.930753e-02 1.166139e-03 1.498986e-04 0.000485 0.001584 True native_MD 7 78 360 - C_AB42_9 CB_AB42_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 84 - C_AB42_9 CG_AB42_10 1 0.000000e+00 2.640790e-06 ; 3.054730e-01 -2.640790e-06 9.278456e-01 9.440929e-01 0.000485 0.000060 True native_MD 4 79 85 - C_AB42_9 CD1_AB42_10 1 0.000000e+00 2.447536e-06 ; 3.035445e-01 -2.447536e-06 6.478064e-01 5.896846e-01 0.000485 0.000060 True native_MD 5 79 86 - C_AB42_9 CD2_AB42_10 1 0.000000e+00 2.447536e-06 ; 3.035445e-01 -2.447536e-06 6.478064e-01 5.896846e-01 0.000485 0.000060 True native_MD 5 79 87 - C_AB42_9 CE1_AB42_10 1 0.000000e+00 2.521540e-06 ; 3.042990e-01 -2.521540e-06 1.973568e-01 1.677137e-01 0.000485 0.000060 True native_MD 6 79 88 - C_AB42_9 CE2_AB42_10 1 0.000000e+00 2.521540e-06 ; 3.042990e-01 -2.521540e-06 1.973568e-01 1.677137e-01 0.000485 0.000060 True native_MD 6 79 89 + C_AB42_9 CB_AB42_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 84 + C_AB42_9 CG_AB42_10 1 0.000000e+00 2.640743e-06 ; 3.054725e-01 -2.640743e-06 9.278456e-01 9.440929e-01 0.000485 0.000060 True native_MD 4 79 85 + C_AB42_9 CD1_AB42_10 1 0.000000e+00 2.447493e-06 ; 3.035441e-01 -2.447493e-06 6.478064e-01 5.896846e-01 0.000485 0.000060 True native_MD 5 79 86 + C_AB42_9 CD2_AB42_10 1 0.000000e+00 2.447493e-06 ; 3.035441e-01 -2.447493e-06 6.478064e-01 5.896846e-01 0.000485 0.000060 True native_MD 5 79 87 + C_AB42_9 CE1_AB42_10 1 0.000000e+00 2.521496e-06 ; 3.042985e-01 -2.521496e-06 1.973568e-01 1.677137e-01 0.000485 0.000060 True native_MD 6 79 88 + C_AB42_9 CE2_AB42_10 1 0.000000e+00 2.521496e-06 ; 3.042985e-01 -2.521496e-06 1.973568e-01 1.677137e-01 0.000485 0.000060 True native_MD 6 79 89 C_AB42_9 CZ_AB42_10 1 3.165929e-03 1.749854e-05 ; 4.204846e-01 1.431992e-01 4.313260e-02 3.291180e-02 0.000485 0.003309 True native_MD 7 79 90 - C_AB42_9 O_AB42_10 1 0.000000e+00 8.133060e-07 ; 2.769169e-01 -8.133060e-07 8.948199e-01 8.783292e-01 0.000485 0.000060 True native_MD 4 79 93 - C_AB42_9 N_AB42_11 1 0.000000e+00 1.460567e-06 ; 2.907625e-01 -1.460567e-06 9.878294e-01 9.562797e-01 0.000485 0.000060 True native_MD 4 79 94 - C_AB42_9 CA_AB42_11 1 0.000000e+00 1.136740e-05 ; 3.449849e-01 -1.136740e-05 9.229565e-01 7.938973e-01 0.000485 0.000060 True native_MD 5 79 96 - C_AB42_9 CB_AB42_11 1 0.000000e+00 5.623705e-06 ; 3.253346e-01 -5.623705e-06 3.096327e-01 1.974981e-01 0.000485 0.000060 True native_MD 6 79 97 - C_AB42_9 CG_AB42_11 1 0.000000e+00 5.919711e-06 ; 3.267283e-01 -5.919711e-06 2.362453e-01 1.708439e-01 0.000485 0.000060 True native_MD 7 79 98 + C_AB42_9 O_AB42_10 1 0.000000e+00 8.133022e-07 ; 2.769168e-01 -8.133022e-07 8.948199e-01 8.783292e-01 0.000485 0.000060 True native_MD 4 79 93 + C_AB42_9 N_AB42_11 1 0.000000e+00 1.460547e-06 ; 2.907622e-01 -1.460547e-06 9.878294e-01 9.562797e-01 0.000485 0.000060 True native_MD 4 79 94 + C_AB42_9 CA_AB42_11 1 0.000000e+00 1.136734e-05 ; 3.449848e-01 -1.136734e-05 9.229565e-01 7.938973e-01 0.000485 0.000060 True native_MD 5 79 96 + C_AB42_9 CB_AB42_11 1 0.000000e+00 5.623610e-06 ; 3.253341e-01 -5.623610e-06 3.096327e-01 1.974981e-01 0.000485 0.000060 True native_MD 6 79 97 + C_AB42_9 CG_AB42_11 1 0.000000e+00 5.919612e-06 ; 3.267278e-01 -5.919612e-06 2.362453e-01 1.708439e-01 0.000485 0.000060 True native_MD 7 79 98 C_AB42_9 CD_AB42_11 1 1.831201e-03 4.942908e-06 ; 3.731422e-01 1.696015e-01 4.719359e-02 1.069558e-02 0.000485 0.002166 True native_MD 7 79 99 C_AB42_9 OE1_AB42_11 1 5.649034e-04 4.317101e-07 ; 3.023684e-01 1.847975e-01 2.408021e-02 3.463357e-03 0.000485 0.002166 True native_MD 7 79 100 C_AB42_9 OE2_AB42_11 1 5.649034e-04 4.317101e-07 ; 3.023684e-01 1.847975e-01 2.408021e-02 3.463357e-03 0.000485 0.002166 True native_MD 7 79 101 - C_AB42_9 C_AB42_11 1 0.000000e+00 2.302946e-06 ; 3.020081e-01 -2.302946e-06 2.080576e-01 9.429337e-02 0.000485 0.000060 True native_MD 6 79 102 + C_AB42_9 C_AB42_11 1 0.000000e+00 2.302905e-06 ; 3.020077e-01 -2.302905e-06 2.080576e-01 9.429337e-02 0.000485 0.000060 True native_MD 6 79 102 C_AB42_9 O_AB42_11 1 8.094879e-04 1.312614e-06 ; 3.427581e-01 1.248026e-01 4.923386e-02 4.264149e-02 0.000485 0.002166 True native_MD 7 79 103 C_AB42_9 N_AB42_12 1 1.017546e-03 1.830691e-06 ; 3.487468e-01 1.413946e-01 2.545857e-01 1.342014e-01 0.000485 0.002166 True native_MD 7 79 104 C_AB42_9 CA_AB42_12 1 3.146267e-03 1.937349e-05 ; 4.281232e-01 1.277389e-01 2.858768e-01 1.401640e-01 0.000485 0.001339 True native_MD 7 79 106 - C_AB42_9 CB_AB42_12 1 0.000000e+00 1.092656e-05 ; 3.438497e-01 -1.092656e-05 2.950699e-01 1.322347e-01 0.000485 0.000060 True native_MD 7 79 107 - C_AB42_9 CG1_AB42_12 1 0.000000e+00 4.224859e-06 ; 3.176723e-01 -4.224859e-06 1.545909e-01 4.852982e-02 0.000485 0.000060 True native_MD 7 79 108 - C_AB42_9 CG2_AB42_12 1 0.000000e+00 4.182880e-06 ; 3.174081e-01 -4.182880e-06 2.310348e-01 1.160915e-01 0.000485 0.000060 True native_MD 7 79 109 + C_AB42_9 CB_AB42_12 1 0.000000e+00 1.092651e-05 ; 3.438495e-01 -1.092651e-05 2.950699e-01 1.322347e-01 0.000485 0.000060 True native_MD 7 79 107 + C_AB42_9 CG1_AB42_12 1 0.000000e+00 4.224804e-06 ; 3.176720e-01 -4.224804e-06 1.545909e-01 4.852982e-02 0.000485 0.000060 True native_MD 7 79 108 + C_AB42_9 CG2_AB42_12 1 0.000000e+00 4.182826e-06 ; 3.174077e-01 -4.182826e-06 2.310348e-01 1.160915e-01 0.000485 0.000060 True native_MD 7 79 109 C_AB42_9 C_AB42_12 1 2.745991e-03 1.189731e-05 ; 4.037615e-01 1.584490e-01 7.497559e-02 2.372394e-02 0.000485 0.002166 True native_MD 7 79 110 C_AB42_9 O_AB42_12 1 4.314050e-04 4.303293e-07 ; 3.160962e-01 1.081208e-01 2.629483e-02 3.751859e-02 0.000485 0.002166 True native_MD 7 79 111 C_AB42_9 N_AB42_13 1 1.721828e-03 4.028590e-06 ; 3.643571e-01 1.839782e-01 1.034353e-01 1.524567e-02 0.000485 0.002166 True native_MD 7 79 112 C_AB42_9 CA_AB42_13 1 3.450901e-03 1.967668e-05 ; 4.226718e-01 1.513050e-01 1.201086e-01 2.909053e-02 0.000485 0.001339 True native_MD 7 79 114 - C_AB42_9 CB_AB42_13 1 0.000000e+00 5.840410e-06 ; 3.263613e-01 -5.840410e-06 1.069991e-01 2.907773e-02 0.000485 0.000060 True native_MD 7 79 115 + C_AB42_9 CB_AB42_13 1 0.000000e+00 5.840312e-06 ; 3.263608e-01 -5.840312e-06 1.069991e-01 2.907773e-02 0.000485 0.000060 True native_MD 7 79 115 C_AB42_9 CG_AB42_13 1 1.399876e-03 3.256571e-06 ; 3.640087e-01 1.504384e-01 4.069690e-02 1.636584e-02 0.000485 0.002166 True native_MD 7 79 116 C_AB42_9 ND1_AB42_13 1 8.545081e-04 1.478636e-06 ; 3.464901e-01 1.234557e-01 2.336355e-02 2.106735e-02 0.000485 0.002166 True native_MD 7 79 117 C_AB42_9 CD2_AB42_13 1 8.189204e-04 9.786802e-07 ; 3.257616e-01 1.713100e-01 7.145162e-02 2.350782e-02 0.000485 0.003309 True native_MD 7 79 118 @@ -20560,8 +20560,8 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_9 O_AB42_14 1 4.496720e-04 3.423863e-07 ; 3.021830e-01 1.476438e-01 4.954056e-03 4.118571e-04 0.000485 0.002166 True native_MD 7 79 133 C_AB42_9 N_AB42_15 1 1.573452e-03 4.519317e-06 ; 3.770248e-01 1.369538e-01 3.597714e-03 3.254675e-04 0.000485 0.002166 True native_MD 7 79 134 C_AB42_9 CA_AB42_15 1 2.688004e-03 1.086843e-05 ; 3.991378e-01 1.662007e-01 1.261131e-02 1.955881e-03 0.000485 0.001339 True native_MD 7 79 136 - C_AB42_9 CB_AB42_15 1 0.000000e+00 6.256695e-06 ; 3.282392e-01 -6.256695e-06 1.481121e-02 2.612489e-03 0.000485 0.000060 True native_MD 7 79 137 - C_AB42_9 CG_AB42_15 1 0.000000e+00 6.172284e-06 ; 3.278678e-01 -6.172284e-06 2.916628e-02 3.640929e-03 0.000485 0.000060 True native_MD 7 79 138 + C_AB42_9 CB_AB42_15 1 0.000000e+00 6.256590e-06 ; 3.282387e-01 -6.256590e-06 1.481121e-02 2.612489e-03 0.000485 0.000060 True native_MD 7 79 137 + C_AB42_9 CG_AB42_15 1 0.000000e+00 6.172181e-06 ; 3.278674e-01 -6.172181e-06 2.916628e-02 3.640929e-03 0.000485 0.000060 True native_MD 7 79 138 C_AB42_9 CD_AB42_15 1 1.838589e-03 4.111265e-06 ; 3.616167e-01 2.055578e-01 4.500468e-02 3.477493e-03 0.000485 0.002166 True native_MD 7 79 139 C_AB42_9 OE1_AB42_15 1 5.669944e-04 3.820937e-07 ; 2.960955e-01 2.103428e-01 3.887828e-02 2.603387e-03 0.000485 0.002166 True native_MD 7 79 140 C_AB42_9 NE2_AB42_15 1 9.281615e-04 1.131698e-06 ; 3.268520e-01 1.903077e-01 4.720790e-02 5.757541e-03 0.000485 0.002166 True native_MD 7 79 141 @@ -20569,10 +20569,10 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_9 O_AB42_15 1 8.517467e-04 1.354368e-06 ; 3.416418e-01 1.339134e-01 3.284822e-03 4.740018e-04 0.000485 0.002166 True native_MD 7 79 143 C_AB42_9 N_AB42_16 1 8.238620e-04 1.407384e-06 ; 3.457480e-01 1.205692e-01 2.203340e-03 1.469482e-04 0.000485 0.002166 True native_MD 7 79 144 C_AB42_9 CA_AB42_16 1 3.350333e-03 1.672248e-05 ; 4.133984e-01 1.678090e-01 9.058194e-03 1.054237e-03 0.000485 0.001339 True native_MD 7 79 146 - C_AB42_9 CB_AB42_16 1 0.000000e+00 6.297442e-06 ; 3.284168e-01 -6.297442e-06 7.109106e-03 1.343523e-03 0.000485 0.000060 True native_MD 7 79 147 - C_AB42_9 CG_AB42_16 1 0.000000e+00 6.276014e-06 ; 3.283235e-01 -6.276014e-06 1.065649e-02 1.507837e-03 0.000485 0.000060 True native_MD 7 79 148 - C_AB42_9 CD_AB42_16 1 0.000000e+00 6.283625e-06 ; 3.283567e-01 -6.283625e-06 1.113984e-02 3.192898e-03 0.000485 0.000060 True native_MD 7 79 149 - C_AB42_9 CE_AB42_16 1 0.000000e+00 6.268612e-06 ; 3.282912e-01 -6.268612e-06 1.437535e-02 4.058150e-03 0.000485 0.000060 True native_MD 7 79 150 + C_AB42_9 CB_AB42_16 1 0.000000e+00 6.297336e-06 ; 3.284163e-01 -6.297336e-06 7.109106e-03 1.343523e-03 0.000485 0.000060 True native_MD 7 79 147 + C_AB42_9 CG_AB42_16 1 0.000000e+00 6.275908e-06 ; 3.283231e-01 -6.275908e-06 1.065649e-02 1.507837e-03 0.000485 0.000060 True native_MD 7 79 148 + C_AB42_9 CD_AB42_16 1 0.000000e+00 6.283520e-06 ; 3.283562e-01 -6.283520e-06 1.113984e-02 3.192898e-03 0.000485 0.000060 True native_MD 7 79 149 + C_AB42_9 CE_AB42_16 1 0.000000e+00 6.268507e-06 ; 3.282908e-01 -6.268507e-06 1.437535e-02 4.058150e-03 0.000485 0.000060 True native_MD 7 79 150 C_AB42_9 NZ_AB42_16 1 1.055539e-03 1.679051e-06 ; 3.416632e-01 1.658919e-01 8.933242e-03 2.262296e-03 0.000485 0.002166 True native_MD 7 79 151 C_AB42_9 C_AB42_16 1 1.866975e-03 8.279846e-06 ; 4.053349e-01 1.052434e-01 1.392825e-03 1.203955e-04 0.000485 0.002166 True native_MD 7 79 152 C_AB42_9 O_AB42_16 1 6.385067e-04 1.124287e-06 ; 3.474977e-01 9.065541e-02 9.001226e-04 1.718905e-04 0.000485 0.002166 True native_MD 7 79 153 @@ -20580,18 +20580,18 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_9 CA_AB42_17 1 4.517711e-03 3.417877e-05 ; 4.430707e-01 1.492865e-01 5.203675e-03 2.091554e-04 0.000485 0.001339 True native_MD 7 79 156 C_AB42_9 CB_AB42_17 1 9.526992e-04 2.561222e-06 ; 3.728910e-01 8.859401e-02 5.325778e-03 3.757996e-04 0.000485 0.000060 True native_MD 7 79 157 C_AB42_9 CG_AB42_17 1 1.745243e-03 1.069297e-05 ; 4.277668e-01 7.121206e-02 1.321342e-02 1.568541e-03 0.000485 0.000060 True native_MD 7 79 158 - C_AB42_9 CD1_AB42_17 1 0.000000e+00 4.680583e-06 ; 3.203957e-01 -4.680583e-06 1.134823e-02 1.713915e-03 0.000485 0.000060 True native_MD 7 79 159 - C_AB42_9 CD2_AB42_17 1 0.000000e+00 4.690778e-06 ; 3.204538e-01 -4.690778e-06 9.209543e-03 1.732348e-03 0.000485 0.000060 True native_MD 7 79 160 + C_AB42_9 CD1_AB42_17 1 0.000000e+00 4.680522e-06 ; 3.203953e-01 -4.680522e-06 1.134823e-02 1.713915e-03 0.000485 0.000060 True native_MD 7 79 159 + C_AB42_9 CD2_AB42_17 1 0.000000e+00 4.690716e-06 ; 3.204534e-01 -4.690716e-06 9.209543e-03 1.732348e-03 0.000485 0.000060 True native_MD 7 79 160 C_AB42_9 C_AB42_17 1 1.865596e-03 1.049430e-05 ; 4.217185e-01 8.291285e-02 7.139604e-04 5.625992e-05 0.000485 0.002166 True native_MD 7 79 161 C_AB42_9 O_AB42_17 1 5.144100e-04 7.038291e-07 ; 3.331908e-01 9.399215e-02 9.946451e-04 3.334911e-04 0.000485 0.002166 True native_MD 7 79 162 C_AB42_9 CA_AB42_18 1 2.595246e-03 1.439908e-05 ; 4.207519e-01 1.169398e-01 1.976563e-03 5.324009e-04 0.000485 0.001339 True native_MD 7 79 165 - C_AB42_9 CB_AB42_18 1 0.000000e+00 1.301918e-05 ; 3.489075e-01 -1.301918e-05 4.211273e-03 1.706692e-03 0.000485 0.000060 True native_MD 7 79 166 - C_AB42_9 CG1_AB42_18 1 0.000000e+00 4.721533e-06 ; 3.206283e-01 -4.721533e-06 2.733193e-03 1.763518e-03 0.000485 0.000060 True native_MD 7 79 167 - C_AB42_9 CG2_AB42_18 1 0.000000e+00 4.714563e-06 ; 3.205889e-01 -4.714563e-06 3.903296e-03 1.458834e-03 0.000485 0.000060 True native_MD 7 79 168 + C_AB42_9 CB_AB42_18 1 0.000000e+00 1.301911e-05 ; 3.489073e-01 -1.301911e-05 4.211273e-03 1.706692e-03 0.000485 0.000060 True native_MD 7 79 166 + C_AB42_9 CG1_AB42_18 1 0.000000e+00 4.721471e-06 ; 3.206280e-01 -4.721471e-06 2.733193e-03 1.763518e-03 0.000485 0.000060 True native_MD 7 79 167 + C_AB42_9 CG2_AB42_18 1 0.000000e+00 4.714501e-06 ; 3.205885e-01 -4.714501e-06 3.903296e-03 1.458834e-03 0.000485 0.000060 True native_MD 7 79 168 C_AB42_9 C_AB42_18 1 1.573856e-03 7.594157e-06 ; 4.110731e-01 8.154369e-02 6.852983e-04 5.485897e-07 0.000485 0.002166 True native_MD 7 79 169 C_AB42_9 N_AB42_19 1 6.165709e-04 1.105383e-06 ; 3.485419e-01 8.597921e-02 7.825762e-04 5.029512e-05 0.000485 0.002166 True native_MD 7 79 171 C_AB42_9 CA_AB42_19 1 2.061051e-03 9.353908e-06 ; 4.068966e-01 1.135336e-01 1.785013e-03 6.303934e-04 0.000485 0.001339 True native_MD 7 79 173 - C_AB42_9 CB_AB42_19 1 0.000000e+00 6.315176e-06 ; 3.284938e-01 -6.315176e-06 4.114983e-03 1.149166e-03 0.000485 0.000060 True native_MD 7 79 174 + C_AB42_9 CB_AB42_19 1 0.000000e+00 6.315070e-06 ; 3.284933e-01 -6.315070e-06 4.114983e-03 1.149166e-03 0.000485 0.000060 True native_MD 7 79 174 C_AB42_9 CG_AB42_19 1 1.511970e-03 4.361106e-06 ; 3.772903e-01 1.310477e-01 3.014861e-03 8.065632e-04 0.000485 0.003309 True native_MD 7 79 175 C_AB42_9 CD1_AB42_19 1 9.848882e-04 1.742886e-06 ; 3.477873e-01 1.391377e-01 3.840699e-03 1.298033e-03 0.000485 0.003309 True native_MD 7 79 176 C_AB42_9 CD2_AB42_19 1 9.848882e-04 1.742886e-06 ; 3.477873e-01 1.391377e-01 3.840699e-03 1.298033e-03 0.000485 0.003309 True native_MD 7 79 177 @@ -20601,7 +20601,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_9 C_AB42_19 1 1.723325e-03 9.708141e-06 ; 4.218209e-01 7.647834e-02 5.889073e-04 1.782049e-04 0.000485 0.002166 True native_MD 7 79 181 C_AB42_9 O_AB42_19 1 6.174074e-04 1.063669e-06 ; 3.462362e-01 8.959359e-02 8.719700e-04 2.860500e-04 0.000485 0.002166 True native_MD 7 79 182 C_AB42_9 CA_AB42_20 1 2.430296e-03 1.487071e-05 ; 4.276733e-01 9.929483e-02 1.165696e-03 5.598214e-04 0.000485 0.001339 True native_MD 7 79 185 - C_AB42_9 CB_AB42_20 1 0.000000e+00 6.321050e-06 ; 3.285192e-01 -6.321050e-06 3.092321e-03 1.053960e-03 0.000485 0.000060 True native_MD 7 79 186 + C_AB42_9 CB_AB42_20 1 0.000000e+00 6.320944e-06 ; 3.285188e-01 -6.320944e-06 3.092321e-03 1.053960e-03 0.000485 0.000060 True native_MD 7 79 186 C_AB42_9 CG_AB42_20 1 1.225483e-03 2.869176e-06 ; 3.643972e-01 1.308571e-01 2.997706e-03 7.144384e-04 0.000485 0.003309 True native_MD 7 79 187 C_AB42_9 CD1_AB42_20 1 1.201423e-03 2.516849e-06 ; 3.577065e-01 1.433754e-01 4.359997e-03 1.627934e-03 0.000485 0.003309 True native_MD 7 79 188 C_AB42_9 CD2_AB42_20 1 1.201423e-03 2.516849e-06 ; 3.577065e-01 1.433754e-01 4.359997e-03 1.627934e-03 0.000485 0.003309 True native_MD 7 79 189 @@ -20609,11 +20609,11 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_9 CE2_AB42_20 1 1.311700e-03 2.692532e-06 ; 3.564958e-01 1.597526e-01 7.117619e-03 2.697081e-03 0.000485 0.003309 True native_MD 7 79 191 C_AB42_9 CZ_AB42_20 1 9.810996e-04 1.525808e-06 ; 3.403803e-01 1.577126e-01 6.696095e-03 2.659824e-03 0.000485 0.003309 True native_MD 7 79 192 C_AB42_9 CA_AB42_21 1 1.793353e-03 8.216810e-06 ; 4.075425e-01 9.785168e-02 1.116424e-03 9.066538e-04 0.000485 0.001339 True native_MD 7 79 197 - C_AB42_9 CB_AB42_21 1 0.000000e+00 4.724429e-06 ; 3.206447e-01 -4.724429e-06 1.305190e-03 9.483400e-04 0.000485 0.000060 True native_MD 7 79 198 - C_AB42_9 CB_AB42_22 1 0.000000e+00 6.333531e-06 ; 3.285732e-01 -6.333531e-06 5.240931e-04 4.561572e-04 0.000485 0.000060 True native_MD 7 79 204 - C_AB42_9 CG_AB42_22 1 0.000000e+00 6.331980e-06 ; 3.285665e-01 -6.331980e-06 6.492573e-04 3.364548e-04 0.000485 0.000060 True native_MD 7 79 205 + C_AB42_9 CB_AB42_21 1 0.000000e+00 4.724367e-06 ; 3.206444e-01 -4.724367e-06 1.305190e-03 9.483400e-04 0.000485 0.000060 True native_MD 7 79 198 + C_AB42_9 CB_AB42_22 1 0.000000e+00 6.333424e-06 ; 3.285728e-01 -6.333424e-06 5.240931e-04 4.561572e-04 0.000485 0.000060 True native_MD 7 79 204 + C_AB42_9 CG_AB42_22 1 0.000000e+00 6.331873e-06 ; 3.285660e-01 -6.331873e-06 6.492573e-04 3.364548e-04 0.000485 0.000060 True native_MD 7 79 205 C_AB42_9 CD_AB42_22 1 7.534254e-04 1.817363e-06 ; 3.662128e-01 7.808704e-02 6.179520e-04 4.220794e-04 0.000485 0.002166 True native_MD 7 79 206 - C_AB42_9 CB_AB42_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 214 + C_AB42_9 CB_AB42_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 214 C_AB42_9 CA_AB42_24 1 5.240700e-03 4.922219e-05 ; 4.593340e-01 1.394947e-01 3.881945e-03 9.822607e-06 0.000485 0.001339 True native_MD 7 79 222 C_AB42_9 CB_AB42_24 1 1.882178e-03 8.127900e-06 ; 4.035397e-01 1.089640e-01 1.303025e-02 4.997855e-04 0.000485 0.000060 True native_MD 7 79 223 C_AB42_9 CG1_AB42_24 1 7.504214e-04 1.139151e-06 ; 3.390101e-01 1.235860e-01 1.185207e-02 2.934868e-04 0.000485 0.000060 True native_MD 7 79 224 @@ -20625,7 +20625,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_9 C_AB42_25 1 1.375450e-03 4.690164e-06 ; 3.879632e-01 1.008420e-01 1.220936e-03 6.722421e-06 0.000485 0.002166 True native_MD 7 79 231 C_AB42_9 O_AB42_25 1 2.877834e-04 2.173837e-07 ; 3.017821e-01 9.524552e-02 1.032661e-03 2.622104e-04 0.000485 0.002166 True native_MD 7 79 232 C_AB42_9 CA_AB42_26 1 2.365794e-03 1.243146e-05 ; 4.169566e-01 1.125568e-01 1.733589e-03 3.876891e-04 0.000485 0.001339 True native_MD 7 79 235 - C_AB42_9 CB_AB42_26 1 0.000000e+00 6.327225e-06 ; 3.285459e-01 -6.327225e-06 1.499791e-03 4.363142e-04 0.000485 0.000060 True native_MD 7 79 236 + C_AB42_9 CB_AB42_26 1 0.000000e+00 6.327119e-06 ; 3.285455e-01 -6.327119e-06 1.499791e-03 4.363142e-04 0.000485 0.000060 True native_MD 7 79 236 C_AB42_9 OG_AB42_26 1 1.903236e-04 1.006769e-07 ; 2.843847e-01 8.994886e-02 8.812900e-04 3.514329e-04 0.000485 0.002166 True native_MD 7 79 237 C_AB42_9 CA_AB42_27 1 2.492169e-03 1.195624e-05 ; 4.106794e-01 1.298674e-01 2.910227e-03 1.556119e-04 0.000485 0.001339 True native_MD 7 79 242 C_AB42_9 CB_AB42_27 1 6.125742e-04 1.013904e-06 ; 3.439323e-01 9.252532e-02 2.966974e-03 1.861200e-04 0.000485 0.000060 True native_MD 7 79 243 @@ -20728,18 +20728,18 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 C_AB42_9 CB_AB42_42 1 7.887364e-04 1.902759e-06 ; 3.662200e-01 8.173722e-02 3.271847e-03 2.834534e-04 0.000485 0.000060 True native_MD 7 79 357 O_AB42_9 O_AB42_9 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 80 80 O_AB42_9 H_AB42_10 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 80 82 - O_AB42_9 CB_AB42_10 1 0.000000e+00 2.015662e-06 ; 2.986734e-01 -2.015662e-06 9.999904e-01 9.999935e-01 0.000485 0.000060 True native_MD 4 80 84 - O_AB42_9 CG_AB42_10 1 0.000000e+00 8.258655e-07 ; 2.772708e-01 -8.258655e-07 4.518062e-01 4.505034e-01 0.000485 0.000060 True native_MD 5 80 85 - O_AB42_9 CD1_AB42_10 1 0.000000e+00 8.386366e-07 ; 2.776256e-01 -8.386366e-07 2.494085e-01 2.635494e-01 0.000485 0.000060 True native_MD 6 80 86 - O_AB42_9 CD2_AB42_10 1 0.000000e+00 8.386366e-07 ; 2.776256e-01 -8.386366e-07 2.494085e-01 2.635494e-01 0.000485 0.000060 True native_MD 6 80 87 + O_AB42_9 CB_AB42_10 1 0.000000e+00 2.015655e-06 ; 2.986733e-01 -2.015655e-06 9.999904e-01 9.999935e-01 0.000485 0.000060 True native_MD 4 80 84 + O_AB42_9 CG_AB42_10 1 0.000000e+00 8.258617e-07 ; 2.772707e-01 -8.258617e-07 4.518062e-01 4.505034e-01 0.000485 0.000060 True native_MD 5 80 85 + O_AB42_9 CD1_AB42_10 1 0.000000e+00 8.386327e-07 ; 2.776255e-01 -8.386327e-07 2.494085e-01 2.635494e-01 0.000485 0.000060 True native_MD 6 80 86 + O_AB42_9 CD2_AB42_10 1 0.000000e+00 8.386327e-07 ; 2.776255e-01 -8.386327e-07 2.494085e-01 2.635494e-01 0.000485 0.000060 True native_MD 6 80 87 O_AB42_9 CE1_AB42_10 1 1.005101e-03 2.016718e-06 ; 3.551452e-01 1.252316e-01 4.533995e-02 5.923240e-02 0.000485 0.003309 True native_MD 7 80 88 O_AB42_9 CE2_AB42_10 1 1.005101e-03 2.016718e-06 ; 3.551452e-01 1.252316e-01 4.533995e-02 5.923240e-02 0.000485 0.003309 True native_MD 7 80 89 O_AB42_9 CZ_AB42_10 1 1.455283e-03 4.281973e-06 ; 3.785438e-01 1.236491e-01 1.451805e-02 1.988630e-02 0.000485 0.003309 True native_MD 7 80 90 - O_AB42_9 C_AB42_10 1 0.000000e+00 8.220154e-07 ; 2.771628e-01 -8.220154e-07 9.999167e-01 9.939581e-01 0.000485 0.000060 True native_MD 4 80 92 + O_AB42_9 C_AB42_10 1 0.000000e+00 8.220116e-07 ; 2.771627e-01 -8.220116e-07 9.999167e-01 9.939581e-01 0.000485 0.000060 True native_MD 4 80 92 O_AB42_9 O_AB42_10 1 0.000000e+00 1.353105e-06 ; 2.889167e-01 -1.353105e-06 8.889849e-01 7.910550e-01 0.000485 0.000060 True native_MD 5 80 93 O_AB42_9 N_AB42_11 1 0.000000e+00 1.367085e-06 ; 2.891643e-01 -1.367085e-06 9.365372e-01 8.479273e-01 0.000485 0.000060 True native_MD 5 80 94 - O_AB42_9 H_AB42_11 1 0.000000e+00 1.459755e-08 ; 1.980850e-01 -1.459755e-08 1.932754e-01 1.340695e-01 0.000485 0.000060 True native_MD 6 80 95 - O_AB42_9 CA_AB42_11 1 0.000000e+00 3.495864e-06 ; 3.126976e-01 -3.495864e-06 6.229254e-01 4.645935e-01 0.000485 0.000060 True native_MD 6 80 96 + O_AB42_9 H_AB42_11 1 0.000000e+00 1.459778e-08 ; 1.980853e-01 -1.459778e-08 1.932754e-01 1.340695e-01 0.000485 0.000060 True native_MD 6 80 95 + O_AB42_9 CA_AB42_11 1 0.000000e+00 3.495892e-06 ; 3.126978e-01 -3.495892e-06 6.229254e-01 4.645935e-01 0.000485 0.000060 True native_MD 6 80 96 O_AB42_9 CB_AB42_11 1 1.180519e-03 3.221528e-06 ; 3.738220e-01 1.081493e-01 1.272749e-01 9.973069e-02 0.000485 0.001191 True native_MD 7 80 97 O_AB42_9 CG_AB42_11 1 6.307043e-04 9.483514e-07 ; 3.384729e-01 1.048630e-01 1.631066e-01 1.410161e-01 0.000485 0.001191 True native_MD 7 80 98 O_AB42_9 CD_AB42_11 1 1.200615e-03 3.145909e-06 ; 3.712990e-01 1.145516e-01 1.655755e-02 1.948918e-02 0.000485 0.002166 True native_MD 7 80 99 @@ -20987,30 +20987,30 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 O_AB42_9 CB_AB42_42 1 5.018103e-04 4.978396e-07 ; 3.158093e-01 1.264532e-01 2.627564e-03 4.660341e-04 0.000485 0.001191 True native_MD 7 80 357 O_AB42_9 O1_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 80 359 O_AB42_9 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 80 360 - N_AB42_10 CB_AB42_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 84 - N_AB42_10 CD1_AB42_10 1 0.000000e+00 1.466312e-06 ; 2.908577e-01 -1.466312e-06 9.132599e-01 8.855196e-01 0.000485 0.000060 True native_MD 4 81 86 - N_AB42_10 CD2_AB42_10 1 0.000000e+00 1.466312e-06 ; 2.908577e-01 -1.466312e-06 9.132599e-01 8.855196e-01 0.000485 0.000060 True native_MD 4 81 87 - N_AB42_10 CE1_AB42_10 1 0.000000e+00 1.355121e-06 ; 2.889525e-01 -1.355121e-06 4.091453e-01 3.076778e-01 0.000485 0.000060 True native_MD 5 81 88 - N_AB42_10 CE2_AB42_10 1 0.000000e+00 1.355121e-06 ; 2.889525e-01 -1.355121e-06 4.091453e-01 3.076778e-01 0.000485 0.000060 True native_MD 5 81 89 - N_AB42_10 CZ_AB42_10 1 0.000000e+00 1.504216e-06 ; 2.914769e-01 -1.504216e-06 2.370754e-02 2.110008e-02 0.000485 0.000060 True native_MD 6 81 90 - N_AB42_10 CA_AB42_11 1 0.000000e+00 7.574852e-06 ; 3.335105e-01 -7.574852e-06 1.000000e+00 9.999811e-01 0.000485 0.000060 True native_MD 4 81 96 - N_AB42_10 CB_AB42_11 1 0.000000e+00 2.889697e-06 ; 3.077745e-01 -2.889697e-06 5.266756e-01 3.127564e-01 0.000485 0.000060 True native_MD 5 81 97 - N_AB42_10 CG_AB42_11 1 0.000000e+00 3.266454e-06 ; 3.109339e-01 -3.266454e-06 2.944751e-01 1.830447e-01 0.000485 0.000060 True native_MD 6 81 98 + N_AB42_10 CB_AB42_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 84 + N_AB42_10 CD1_AB42_10 1 0.000000e+00 1.466292e-06 ; 2.908573e-01 -1.466292e-06 9.132599e-01 8.855196e-01 0.000485 0.000060 True native_MD 4 81 86 + N_AB42_10 CD2_AB42_10 1 0.000000e+00 1.466292e-06 ; 2.908573e-01 -1.466292e-06 9.132599e-01 8.855196e-01 0.000485 0.000060 True native_MD 4 81 87 + N_AB42_10 CE1_AB42_10 1 0.000000e+00 1.355102e-06 ; 2.889522e-01 -1.355102e-06 4.091453e-01 3.076778e-01 0.000485 0.000060 True native_MD 5 81 88 + N_AB42_10 CE2_AB42_10 1 0.000000e+00 1.355102e-06 ; 2.889522e-01 -1.355102e-06 4.091453e-01 3.076778e-01 0.000485 0.000060 True native_MD 5 81 89 + N_AB42_10 CZ_AB42_10 1 0.000000e+00 1.504195e-06 ; 2.914766e-01 -1.504195e-06 2.370754e-02 2.110008e-02 0.000485 0.000060 True native_MD 6 81 90 + N_AB42_10 CA_AB42_11 1 0.000000e+00 7.574840e-06 ; 3.335105e-01 -7.574840e-06 1.000000e+00 9.999811e-01 0.000485 0.000060 True native_MD 4 81 96 + N_AB42_10 CB_AB42_11 1 0.000000e+00 2.889659e-06 ; 3.077742e-01 -2.889659e-06 5.266756e-01 3.127564e-01 0.000485 0.000060 True native_MD 5 81 97 + N_AB42_10 CG_AB42_11 1 0.000000e+00 3.266411e-06 ; 3.109335e-01 -3.266411e-06 2.944751e-01 1.830447e-01 0.000485 0.000060 True native_MD 6 81 98 N_AB42_10 CD_AB42_11 1 1.272430e-03 1.864430e-06 ; 3.370172e-01 2.171008e-01 3.959777e-02 2.085832e-03 0.000485 0.002166 True native_MD 7 81 99 N_AB42_10 OE1_AB42_11 1 2.539566e-04 8.327324e-08 ; 2.625977e-01 1.936215e-01 3.617862e-02 3.995887e-03 0.000485 0.002166 True native_MD 7 81 100 N_AB42_10 OE2_AB42_11 1 2.539566e-04 8.327324e-08 ; 2.625977e-01 1.936215e-01 3.617862e-02 3.995887e-03 0.000485 0.002166 True native_MD 7 81 101 - N_AB42_10 C_AB42_11 1 0.000000e+00 1.373203e-06 ; 2.892719e-01 -1.373203e-06 1.489412e-01 5.946315e-02 0.000485 0.000060 True native_MD 5 81 102 + N_AB42_10 C_AB42_11 1 0.000000e+00 1.373183e-06 ; 2.892715e-01 -1.373183e-06 1.489412e-01 5.946315e-02 0.000485 0.000060 True native_MD 5 81 102 N_AB42_10 O_AB42_11 1 0.000000e+00 1.468176e-06 ; 2.908885e-01 -1.468176e-06 9.089010e-02 6.967436e-02 0.000485 0.000060 True native_MD 6 81 103 - N_AB42_10 N_AB42_12 1 0.000000e+00 8.009492e-07 ; 2.765639e-01 -8.009492e-07 1.636232e-01 7.868625e-02 0.000485 0.000060 True native_MD 6 81 104 + N_AB42_10 N_AB42_12 1 0.000000e+00 8.009408e-07 ; 2.765636e-01 -8.009408e-07 1.636232e-01 7.868625e-02 0.000485 0.000060 True native_MD 6 81 104 N_AB42_10 CA_AB42_12 1 5.476446e-03 5.439859e-05 ; 4.636406e-01 1.378320e-01 1.012339e-01 3.669552e-02 0.000485 0.001339 True native_MD 7 81 106 - N_AB42_10 CB_AB42_12 1 0.000000e+00 7.178178e-06 ; 3.320189e-01 -7.178178e-06 8.676452e-02 3.437948e-02 0.000485 0.000060 True native_MD 7 81 107 - N_AB42_10 CG1_AB42_12 1 0.000000e+00 2.596174e-06 ; 3.050395e-01 -2.596174e-06 6.963837e-02 1.613630e-02 0.000485 0.000060 True native_MD 7 81 108 - N_AB42_10 CG2_AB42_12 1 0.000000e+00 2.679867e-06 ; 3.058471e-01 -2.679867e-06 6.885283e-02 4.586307e-02 0.000485 0.000060 True native_MD 7 81 109 + N_AB42_10 CB_AB42_12 1 0.000000e+00 7.178167e-06 ; 3.320189e-01 -7.178167e-06 8.676452e-02 3.437948e-02 0.000485 0.000060 True native_MD 7 81 107 + N_AB42_10 CG1_AB42_12 1 0.000000e+00 2.596149e-06 ; 3.050393e-01 -2.596149e-06 6.963837e-02 1.613630e-02 0.000485 0.000060 True native_MD 7 81 108 + N_AB42_10 CG2_AB42_12 1 0.000000e+00 2.679842e-06 ; 3.058469e-01 -2.679842e-06 6.885283e-02 4.586307e-02 0.000485 0.000060 True native_MD 7 81 109 N_AB42_10 C_AB42_12 1 1.888166e-03 6.785430e-06 ; 3.913718e-01 1.313539e-01 3.042610e-03 1.478042e-03 0.000485 0.002166 True native_MD 7 81 110 N_AB42_10 O_AB42_12 1 4.474216e-04 4.837323e-07 ; 3.203672e-01 1.034591e-01 1.621129e-02 2.659418e-02 0.000485 0.002166 True native_MD 7 81 111 - N_AB42_10 N_AB42_13 1 0.000000e+00 8.715985e-07 ; 2.785189e-01 -8.715985e-07 5.429316e-03 1.207290e-03 0.000485 0.000060 True native_MD 7 81 112 + N_AB42_10 N_AB42_13 1 0.000000e+00 8.715893e-07 ; 2.785187e-01 -8.715893e-07 5.429316e-03 1.207290e-03 0.000485 0.000060 True native_MD 7 81 112 N_AB42_10 CA_AB42_13 1 5.616851e-03 4.999741e-05 ; 4.552421e-01 1.577532e-01 3.623952e-02 7.237011e-03 0.000485 0.001339 True native_MD 7 81 114 - N_AB42_10 CB_AB42_13 1 0.000000e+00 3.551480e-06 ; 3.131092e-01 -3.551480e-06 5.018443e-02 1.628917e-02 0.000485 0.000060 True native_MD 7 81 115 + N_AB42_10 CB_AB42_13 1 0.000000e+00 3.551433e-06 ; 3.131088e-01 -3.551433e-06 5.018443e-02 1.628917e-02 0.000485 0.000060 True native_MD 7 81 115 N_AB42_10 CG_AB42_13 1 1.034415e-03 1.730289e-06 ; 3.445382e-01 1.546004e-01 1.091746e-02 3.876260e-03 0.000485 0.002166 True native_MD 7 81 116 N_AB42_10 ND1_AB42_13 1 2.279042e-04 9.691551e-08 ; 2.742249e-01 1.339835e-01 1.312777e-02 8.638569e-03 0.000485 0.002166 True native_MD 7 81 117 N_AB42_10 CD2_AB42_13 1 1.447537e-03 3.058899e-06 ; 3.582250e-01 1.712514e-01 2.921930e-02 9.630275e-03 0.000485 0.003309 True native_MD 7 81 118 @@ -21018,7 +21018,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_10 NE2_AB42_13 1 1.121215e-03 2.577480e-06 ; 3.632880e-01 1.219334e-01 1.120862e-02 1.057827e-02 0.000485 0.002166 True native_MD 7 81 120 N_AB42_10 C_AB42_13 1 1.862010e-03 8.502780e-06 ; 4.073144e-01 1.019397e-01 1.261710e-03 6.710492e-04 0.000485 0.002166 True native_MD 7 81 121 N_AB42_10 O_AB42_13 1 1.445329e-03 2.919683e-06 ; 3.555452e-01 1.788701e-01 2.064588e-02 3.545772e-03 0.000485 0.002166 True native_MD 7 81 122 - N_AB42_10 N_AB42_14 1 0.000000e+00 8.744358e-07 ; 2.785944e-01 -8.744358e-07 1.130601e-03 1.501222e-04 0.000485 0.000060 True native_MD 7 81 123 + N_AB42_10 N_AB42_14 1 0.000000e+00 8.744266e-07 ; 2.785941e-01 -8.744266e-07 1.130601e-03 1.501222e-04 0.000485 0.000060 True native_MD 7 81 123 N_AB42_10 CA_AB42_14 1 4.660837e-03 3.401312e-05 ; 4.404167e-01 1.596693e-01 7.919724e-03 1.493428e-03 0.000485 0.001339 True native_MD 7 81 125 N_AB42_10 CB_AB42_14 1 8.627061e-04 2.405162e-06 ; 3.751575e-01 7.736089e-02 4.068329e-02 4.017746e-03 0.000485 0.000060 True native_MD 7 81 126 N_AB42_10 CG_AB42_14 1 1.716415e-03 3.568650e-06 ; 3.572566e-01 2.063861e-01 2.873525e-02 1.631712e-03 0.000485 0.002166 True native_MD 7 81 127 @@ -21037,27 +21037,27 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_10 O_AB42_15 1 3.883878e-04 3.741749e-07 ; 3.142690e-01 1.007852e-01 1.218862e-03 2.939484e-04 0.000485 0.002166 True native_MD 7 81 143 N_AB42_10 N_AB42_16 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 8.252248e-05 0.000485 0.000060 True native_MD 7 81 144 N_AB42_10 CA_AB42_16 1 2.485474e-03 1.515425e-05 ; 4.274194e-01 1.019117e-01 1.260655e-03 3.542679e-04 0.000485 0.001339 True native_MD 7 81 146 - N_AB42_10 CB_AB42_16 1 0.000000e+00 3.672019e-06 ; 3.139813e-01 -3.672019e-06 1.298749e-03 1.935040e-04 0.000485 0.000060 True native_MD 7 81 147 - N_AB42_10 CG_AB42_16 1 0.000000e+00 3.669369e-06 ; 3.139624e-01 -3.669369e-06 2.378800e-03 5.526409e-04 0.000485 0.000060 True native_MD 7 81 148 - N_AB42_10 CD_AB42_16 1 0.000000e+00 3.670556e-06 ; 3.139708e-01 -3.670556e-06 2.813282e-03 1.310028e-03 0.000485 0.000060 True native_MD 7 81 149 - N_AB42_10 CE_AB42_16 1 0.000000e+00 3.664878e-06 ; 3.139303e-01 -3.664878e-06 5.084549e-03 2.036722e-03 0.000485 0.000060 True native_MD 7 81 150 - N_AB42_10 NZ_AB42_16 1 0.000000e+00 8.752513e-07 ; 2.786160e-01 -8.752513e-07 1.139110e-03 1.090364e-03 0.000485 0.000060 True native_MD 7 81 151 + N_AB42_10 CB_AB42_16 1 0.000000e+00 3.671970e-06 ; 3.139809e-01 -3.671970e-06 1.298749e-03 1.935040e-04 0.000485 0.000060 True native_MD 7 81 147 + N_AB42_10 CG_AB42_16 1 0.000000e+00 3.669320e-06 ; 3.139620e-01 -3.669320e-06 2.378800e-03 5.526409e-04 0.000485 0.000060 True native_MD 7 81 148 + N_AB42_10 CD_AB42_16 1 0.000000e+00 3.670507e-06 ; 3.139705e-01 -3.670507e-06 2.813282e-03 1.310028e-03 0.000485 0.000060 True native_MD 7 81 149 + N_AB42_10 CE_AB42_16 1 0.000000e+00 3.664829e-06 ; 3.139300e-01 -3.664829e-06 5.084549e-03 2.036722e-03 0.000485 0.000060 True native_MD 7 81 150 + N_AB42_10 NZ_AB42_16 1 0.000000e+00 8.752422e-07 ; 2.786158e-01 -8.752422e-07 1.139110e-03 1.090364e-03 0.000485 0.000060 True native_MD 7 81 151 N_AB42_10 N_AB42_17 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.620776e-04 3.659982e-05 0.000485 0.000060 True native_MD 7 81 154 N_AB42_10 CA_AB42_17 1 2.248802e-03 1.197023e-05 ; 4.178547e-01 1.056184e-01 1.408545e-03 9.421833e-05 0.000485 0.001339 True native_MD 7 81 156 N_AB42_10 CB_AB42_17 1 1.443964e-03 5.648438e-06 ; 3.969435e-01 9.228354e-02 1.354033e-03 8.555609e-05 0.000485 0.000060 True native_MD 7 81 157 N_AB42_10 CG_AB42_17 1 2.851009e-03 2.111255e-05 ; 4.414929e-01 9.624903e-02 4.391311e-03 2.464210e-04 0.000485 0.000060 True native_MD 7 81 158 - N_AB42_10 CD1_AB42_17 1 0.000000e+00 2.727407e-06 ; 3.062956e-01 -2.727407e-06 6.527535e-03 8.695202e-04 0.000485 0.000060 True native_MD 7 81 159 - N_AB42_10 CD2_AB42_17 1 0.000000e+00 2.732717e-06 ; 3.063453e-01 -2.732717e-06 4.408811e-03 6.868341e-04 0.000485 0.000060 True native_MD 7 81 160 + N_AB42_10 CD1_AB42_17 1 0.000000e+00 2.727381e-06 ; 3.062954e-01 -2.727381e-06 6.527535e-03 8.695202e-04 0.000485 0.000060 True native_MD 7 81 159 + N_AB42_10 CD2_AB42_17 1 0.000000e+00 2.732691e-06 ; 3.063451e-01 -2.732691e-06 4.408811e-03 6.868341e-04 0.000485 0.000060 True native_MD 7 81 160 N_AB42_10 C_AB42_17 1 5.090022e-04 8.285629e-07 ; 3.429791e-01 7.817248e-02 6.195341e-04 5.002593e-05 0.000485 0.002166 True native_MD 7 81 161 N_AB42_10 O_AB42_17 1 1.002270e-04 2.744714e-08 ; 2.548309e-01 9.149816e-02 9.231124e-04 1.555042e-04 0.000485 0.002166 True native_MD 7 81 162 N_AB42_10 N_AB42_18 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.327893e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 81 163 N_AB42_10 CA_AB42_18 1 1.580338e-03 6.978285e-06 ; 4.050418e-01 8.947282e-02 8.688242e-04 2.193736e-04 0.000485 0.001339 True native_MD 7 81 165 - N_AB42_10 CB_AB42_18 1 0.000000e+00 7.566089e-06 ; 3.334783e-01 -7.566089e-06 1.537683e-03 3.619789e-04 0.000485 0.000060 True native_MD 7 81 166 - N_AB42_10 CG1_AB42_18 1 0.000000e+00 2.741007e-06 ; 3.064226e-01 -2.741007e-06 1.475926e-03 7.761694e-04 0.000485 0.000060 True native_MD 7 81 167 - N_AB42_10 CG2_AB42_18 1 0.000000e+00 2.739351e-06 ; 3.064072e-01 -2.739351e-06 1.704695e-03 4.014508e-04 0.000485 0.000060 True native_MD 7 81 168 + N_AB42_10 CB_AB42_18 1 0.000000e+00 7.566077e-06 ; 3.334783e-01 -7.566077e-06 1.537683e-03 3.619789e-04 0.000485 0.000060 True native_MD 7 81 166 + N_AB42_10 CG1_AB42_18 1 0.000000e+00 2.740981e-06 ; 3.064224e-01 -2.740981e-06 1.475926e-03 7.761694e-04 0.000485 0.000060 True native_MD 7 81 167 + N_AB42_10 CG2_AB42_18 1 0.000000e+00 2.739326e-06 ; 3.064070e-01 -2.739326e-06 1.704695e-03 4.014508e-04 0.000485 0.000060 True native_MD 7 81 168 N_AB42_10 N_AB42_19 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 3.463956e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 81 171 N_AB42_10 CA_AB42_19 1 1.627658e-03 7.306812e-06 ; 4.061572e-01 9.064390e-02 8.998125e-04 1.069322e-04 0.000485 0.001339 True native_MD 7 81 173 - N_AB42_10 CB_AB42_19 1 0.000000e+00 3.673487e-06 ; 3.139917e-01 -3.673487e-06 1.106835e-03 4.008709e-04 0.000485 0.000060 True native_MD 7 81 174 + N_AB42_10 CB_AB42_19 1 0.000000e+00 3.673438e-06 ; 3.139914e-01 -3.673438e-06 1.106835e-03 4.008709e-04 0.000485 0.000060 True native_MD 7 81 174 N_AB42_10 CG_AB42_19 1 1.133414e-03 3.939348e-06 ; 3.891998e-01 8.152544e-02 6.849241e-04 3.178301e-04 0.000485 0.003309 True native_MD 7 81 175 N_AB42_10 CD1_AB42_19 1 7.651495e-04 1.473671e-06 ; 3.527300e-01 9.931896e-02 1.166538e-03 3.363303e-04 0.000485 0.003309 True native_MD 7 81 176 N_AB42_10 CD2_AB42_19 1 7.651495e-04 1.473671e-06 ; 3.527300e-01 9.931896e-02 1.166538e-03 3.363303e-04 0.000485 0.003309 True native_MD 7 81 177 @@ -21066,7 +21066,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_10 CZ_AB42_19 1 7.766272e-04 1.176165e-06 ; 3.388774e-01 1.282027e-01 2.768796e-03 1.190290e-03 0.000485 0.003309 True native_MD 7 81 180 N_AB42_10 O_AB42_19 1 1.200517e-03 4.363689e-06 ; 3.921157e-01 8.257013e-02 7.066753e-04 1.103627e-04 0.000485 0.002166 True native_MD 7 81 182 N_AB42_10 N_AB42_20 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 81 183 - N_AB42_10 CB_AB42_20 1 0.000000e+00 3.673090e-06 ; 3.139889e-01 -3.673090e-06 1.084891e-03 2.712011e-04 0.000485 0.000060 True native_MD 7 81 186 + N_AB42_10 CB_AB42_20 1 0.000000e+00 3.673042e-06 ; 3.139886e-01 -3.673042e-06 1.084891e-03 2.712011e-04 0.000485 0.000060 True native_MD 7 81 186 N_AB42_10 CG_AB42_20 1 1.199488e-03 4.218077e-06 ; 3.899597e-01 8.527414e-02 7.662369e-04 7.187289e-05 0.000485 0.003309 True native_MD 7 81 187 N_AB42_10 CD1_AB42_20 1 8.614577e-04 1.774000e-06 ; 3.566864e-01 1.045814e-01 1.365503e-03 4.808275e-04 0.000485 0.003309 True native_MD 7 81 188 N_AB42_10 CD2_AB42_20 1 8.614577e-04 1.774000e-06 ; 3.566864e-01 1.045814e-01 1.365503e-03 4.808275e-04 0.000485 0.003309 True native_MD 7 81 189 @@ -21075,12 +21075,12 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_10 CZ_AB42_20 1 1.182792e-03 2.602586e-06 ; 3.606474e-01 1.343853e-01 3.331532e-03 1.060865e-03 0.000485 0.003309 True native_MD 7 81 192 N_AB42_10 N_AB42_21 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.753147e-05 0.000000e+00 0.000485 0.000060 True native_MD 7 81 195 N_AB42_10 CA_AB42_21 1 2.621135e-03 2.341663e-05 ; 4.555183e-01 7.334905e-02 5.362615e-04 3.978826e-05 0.000485 0.001339 True native_MD 7 81 197 - N_AB42_10 CB_AB42_21 1 0.000000e+00 2.742234e-06 ; 3.064341e-01 -2.742234e-06 7.432222e-04 4.910525e-04 0.000485 0.000060 True native_MD 7 81 198 + N_AB42_10 CB_AB42_21 1 0.000000e+00 2.742209e-06 ; 3.064338e-01 -2.742209e-06 7.432222e-04 4.910525e-04 0.000485 0.000060 True native_MD 7 81 198 N_AB42_10 N_AB42_22 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 5.021275e-05 0.000000e+00 0.000485 0.000060 True native_MD 7 81 201 N_AB42_10 CB_AB42_22 1 1.057594e-03 3.984356e-06 ; 3.944632e-01 7.018105e-02 4.877567e-04 2.154331e-05 0.000485 0.000060 True native_MD 7 81 204 - N_AB42_10 CG_AB42_22 1 0.000000e+00 3.674259e-06 ; 3.139972e-01 -3.674259e-06 5.958445e-04 9.998676e-05 0.000485 0.000060 True native_MD 7 81 205 + N_AB42_10 CG_AB42_22 1 0.000000e+00 3.674210e-06 ; 3.139969e-01 -3.674210e-06 5.958445e-04 9.998676e-05 0.000485 0.000060 True native_MD 7 81 205 N_AB42_10 N_AB42_23 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 81 211 - N_AB42_10 CB_AB42_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 214 + N_AB42_10 CB_AB42_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 214 N_AB42_10 N_AB42_24 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.040065e-05 0.000000e+00 0.000485 0.000060 True native_MD 7 81 220 N_AB42_10 CA_AB42_24 1 1.708165e-03 7.107057e-06 ; 4.010452e-01 1.026385e-01 1.288372e-03 2.524852e-05 0.000485 0.001339 True native_MD 7 81 222 N_AB42_10 CB_AB42_24 1 2.200528e-03 8.451372e-06 ; 3.957310e-01 1.432408e-01 5.347721e-03 7.353872e-05 0.000485 0.000060 True native_MD 7 81 223 @@ -21190,7 +21190,7 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 N_AB42_10 CB_AB42_42 1 9.190454e-04 1.898497e-06 ; 3.568718e-01 1.112254e-01 1.665876e-03 0.000000e+00 0.000485 0.000060 True native_MD 7 81 357 H_AB42_10 H_AB42_10 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 82 82 H_AB42_10 OH_AB42_10 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 82 91 - H_AB42_10 O_AB42_10 1 0.000000e+00 1.839144e-08 ; 2.019356e-01 -1.839144e-08 2.408523e-01 4.261579e-01 0.000485 0.000060 True native_MD 4 82 93 + H_AB42_10 O_AB42_10 1 0.000000e+00 1.839173e-08 ; 2.019359e-01 -1.839173e-08 2.408523e-01 4.261579e-01 0.000485 0.000060 True native_MD 4 82 93 H_AB42_10 H_AB42_11 1 0.000000e+00 9.376586e-09 ; 1.909115e-01 -9.376586e-09 6.086729e-01 3.900551e-01 0.000485 0.000060 True native_MD 5 82 95 H_AB42_10 OE1_AB42_11 1 9.039122e-06 1.149634e-10 ; 1.527820e-01 1.776778e-01 1.217032e-02 3.979297e-04 0.000485 0.005316 True native_MD 7 82 100 H_AB42_10 OE2_AB42_11 1 9.039122e-06 1.149634e-10 ; 1.527820e-01 1.776778e-01 1.217032e-02 3.979297e-04 0.000485 0.005316 True native_MD 7 82 101 @@ -21265,24 +21265,24 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 H_AB42_10 H_AB42_42 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 82 355 H_AB42_10 O1_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 82 359 H_AB42_10 O2_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 82 360 - CA_AB42_10 CE1_AB42_10 1 0.000000e+00 1.305177e-05 ; 3.489802e-01 -1.305177e-05 1.000000e+00 9.999926e-01 0.000485 0.000060 True native_MD 4 83 88 - CA_AB42_10 CE2_AB42_10 1 0.000000e+00 1.305177e-05 ; 3.489802e-01 -1.305177e-05 1.000000e+00 9.999926e-01 0.000485 0.000060 True native_MD 4 83 89 - CA_AB42_10 CZ_AB42_10 1 0.000000e+00 1.304717e-05 ; 3.489699e-01 -1.304717e-05 1.000000e+00 9.996402e-01 0.000485 0.000060 True native_MD 5 83 90 + CA_AB42_10 CE1_AB42_10 1 0.000000e+00 1.305170e-05 ; 3.489800e-01 -1.305170e-05 1.000000e+00 9.999926e-01 0.000485 0.000060 True native_MD 4 83 88 + CA_AB42_10 CE2_AB42_10 1 0.000000e+00 1.305170e-05 ; 3.489800e-01 -1.305170e-05 1.000000e+00 9.999926e-01 0.000485 0.000060 True native_MD 4 83 89 + CA_AB42_10 CZ_AB42_10 1 0.000000e+00 1.304710e-05 ; 3.489698e-01 -1.304710e-05 1.000000e+00 9.996402e-01 0.000485 0.000060 True native_MD 5 83 90 CA_AB42_10 OH_AB42_10 1 0.000000e+00 5.735738e-06 ; 3.258698e-01 -5.735738e-06 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 6 83 91 - CA_AB42_10 CB_AB42_11 1 0.000000e+00 3.181368e-05 ; 3.758773e-01 -3.181368e-05 9.999993e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 83 97 - CA_AB42_10 CG_AB42_11 1 0.000000e+00 3.537583e-05 ; 3.792165e-01 -3.537583e-05 7.525660e-01 8.645361e-01 0.000485 0.000060 True native_MD 5 83 98 - CA_AB42_10 CD_AB42_11 1 0.000000e+00 1.209247e-05 ; 3.467671e-01 -1.209247e-05 1.239381e-01 5.043178e-02 0.000485 0.000060 True native_MD 6 83 99 + CA_AB42_10 CB_AB42_11 1 0.000000e+00 3.181354e-05 ; 3.758772e-01 -3.181354e-05 9.999993e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 83 97 + CA_AB42_10 CG_AB42_11 1 0.000000e+00 3.537568e-05 ; 3.792164e-01 -3.537568e-05 7.525660e-01 8.645361e-01 0.000485 0.000060 True native_MD 5 83 98 + CA_AB42_10 CD_AB42_11 1 0.000000e+00 1.209241e-05 ; 3.467670e-01 -1.209241e-05 1.239381e-01 5.043178e-02 0.000485 0.000060 True native_MD 6 83 99 CA_AB42_10 OE1_AB42_11 1 1.111666e-03 1.947454e-06 ; 3.472019e-01 1.586432e-01 4.652678e-02 9.047313e-03 0.000485 0.001339 True native_MD 7 83 100 CA_AB42_10 OE2_AB42_11 1 1.111666e-03 1.947454e-06 ; 3.472019e-01 1.586432e-01 4.652678e-02 9.047313e-03 0.000485 0.001339 True native_MD 7 83 101 - CA_AB42_10 C_AB42_11 1 0.000000e+00 1.305199e-05 ; 3.489807e-01 -1.305199e-05 9.999903e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 83 102 - CA_AB42_10 O_AB42_11 1 0.000000e+00 3.719773e-06 ; 3.143195e-01 -3.719773e-06 4.279979e-01 3.235747e-01 0.000485 0.000060 True native_MD 5 83 103 - CA_AB42_10 N_AB42_12 1 0.000000e+00 7.918967e-06 ; 3.347475e-01 -7.918967e-06 6.979927e-01 7.434016e-01 0.000485 0.000060 True native_MD 5 83 104 - CA_AB42_10 CA_AB42_12 1 0.000000e+00 6.557652e-05 ; 3.992308e-01 -6.557652e-05 7.318411e-01 7.321581e-01 0.000485 0.000060 True native_MD 6 83 106 + CA_AB42_10 C_AB42_11 1 0.000000e+00 1.305192e-05 ; 3.489805e-01 -1.305192e-05 9.999903e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 83 102 + CA_AB42_10 O_AB42_11 1 0.000000e+00 3.719803e-06 ; 3.143197e-01 -3.719803e-06 4.279979e-01 3.235747e-01 0.000485 0.000060 True native_MD 5 83 103 + CA_AB42_10 N_AB42_12 1 0.000000e+00 7.918955e-06 ; 3.347475e-01 -7.918955e-06 6.979927e-01 7.434016e-01 0.000485 0.000060 True native_MD 5 83 104 + CA_AB42_10 CA_AB42_12 1 0.000000e+00 6.557700e-05 ; 3.992310e-01 -6.557700e-05 7.318411e-01 7.321581e-01 0.000485 0.000060 True native_MD 6 83 106 CA_AB42_10 CB_AB42_12 1 6.930827e-03 1.291708e-04 ; 5.149083e-01 9.297065e-02 4.968012e-01 4.545332e-01 0.000485 0.000883 True native_MD 7 83 107 CA_AB42_10 CG1_AB42_12 1 3.847228e-03 2.612073e-05 ; 4.351506e-01 1.416611e-01 2.695973e-01 1.257827e-01 0.000485 0.001932 True native_MD 7 83 108 CA_AB42_10 CG2_AB42_12 1 3.574596e-03 2.752415e-05 ; 4.443732e-01 1.160593e-01 2.921969e-01 2.933044e-01 0.000485 0.001932 True native_MD 7 83 109 CA_AB42_10 C_AB42_12 1 4.455006e-03 5.205878e-05 ; 4.763662e-01 9.531090e-02 1.380143e-01 1.785820e-01 0.000485 0.001339 True native_MD 7 83 110 - CA_AB42_10 O_AB42_12 1 0.000000e+00 4.840040e-06 ; 3.212914e-01 -4.840040e-06 2.751838e-02 1.928119e-01 0.000485 0.001339 True native_MD 7 83 111 + CA_AB42_10 O_AB42_12 1 0.000000e+00 4.840079e-06 ; 3.212916e-01 -4.840079e-06 2.751838e-02 1.928119e-01 0.000485 0.001339 True native_MD 7 83 111 CA_AB42_10 N_AB42_13 1 2.356191e-03 1.090141e-05 ; 4.082053e-01 1.273147e-01 2.375660e-01 1.179671e-01 0.000485 0.001339 True native_MD 7 83 112 CA_AB42_10 CA_AB42_13 1 3.983497e-03 3.856638e-05 ; 4.616619e-01 1.028632e-01 2.616052e-01 1.780159e-01 0.000485 0.000883 True native_MD 7 83 114 CA_AB42_10 CB_AB42_13 1 1.979356e-03 8.699243e-06 ; 4.047246e-01 1.125917e-01 2.348860e-01 1.381821e-01 0.000485 0.001021 True native_MD 7 83 115 @@ -21484,63 +21484,63 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CA_AB42_10 N_AB42_42 1 2.114355e-03 1.383512e-05 ; 4.324814e-01 8.078174e-02 6.698488e-04 1.299017e-05 0.000485 0.001339 True native_MD 7 83 354 CA_AB42_10 CA_AB42_42 1 8.139780e-03 1.224038e-04 ; 4.968177e-01 1.353226e-01 3.426308e-03 3.765764e-04 0.000485 0.000883 True native_MD 7 83 356 CA_AB42_10 CB_AB42_42 1 2.509168e-03 1.064610e-05 ; 4.023557e-01 1.478457e-01 4.984081e-03 3.040032e-04 0.000485 0.001932 True native_MD 7 83 357 - CB_AB42_10 CZ_AB42_10 1 0.000000e+00 6.333961e-06 ; 3.285751e-01 -6.333961e-06 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 84 90 - CB_AB42_10 OH_AB42_10 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 91 - CB_AB42_10 C_AB42_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 92 + CB_AB42_10 CZ_AB42_10 1 0.000000e+00 6.333855e-06 ; 3.285746e-01 -6.333855e-06 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 84 90 + CB_AB42_10 OH_AB42_10 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 91 + CB_AB42_10 C_AB42_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 92 CB_AB42_10 O_AB42_10 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 93 - CB_AB42_10 N_AB42_11 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 94 - CB_AB42_10 CA_AB42_11 1 0.000000e+00 3.181346e-05 ; 3.758771e-01 -3.181346e-05 1.000000e+00 9.999940e-01 0.000485 0.000060 True native_MD 4 84 96 - CB_AB42_10 CB_AB42_11 1 0.000000e+00 1.461380e-05 ; 3.522832e-01 -1.461380e-05 6.469649e-01 5.935221e-01 0.000485 0.000060 True native_MD 5 84 97 - CB_AB42_10 CG_AB42_11 1 0.000000e+00 1.476835e-05 ; 3.525922e-01 -1.476835e-05 3.173388e-01 2.739063e-01 0.000485 0.000060 True native_MD 6 84 98 - CB_AB42_10 CD_AB42_11 1 0.000000e+00 6.056831e-06 ; 3.273523e-01 -6.056831e-06 5.769338e-02 1.394027e-02 0.000485 0.000060 True native_MD 7 84 99 - CB_AB42_10 OE1_AB42_11 1 0.000000e+00 1.589405e-06 ; 2.928181e-01 -1.589405e-06 2.959108e-02 3.698922e-03 0.000485 0.000060 True native_MD 7 84 100 - CB_AB42_10 OE2_AB42_11 1 0.000000e+00 1.589405e-06 ; 2.928181e-01 -1.589405e-06 2.959108e-02 3.698922e-03 0.000485 0.000060 True native_MD 7 84 101 - CB_AB42_10 C_AB42_11 1 0.000000e+00 7.369348e-06 ; 3.327470e-01 -7.369348e-06 3.188385e-01 4.823045e-01 0.000485 0.000060 True native_MD 5 84 102 - CB_AB42_10 O_AB42_11 1 0.000000e+00 1.992405e-06 ; 2.983846e-01 -1.992405e-06 1.200057e-01 1.084702e-01 0.000485 0.000060 True native_MD 6 84 103 - CB_AB42_10 N_AB42_12 1 0.000000e+00 4.491548e-06 ; 3.192969e-01 -4.491548e-06 9.472488e-02 3.165553e-01 0.000485 0.000060 True native_MD 6 84 104 - CB_AB42_10 CA_AB42_12 1 0.000000e+00 3.835723e-05 ; 3.817821e-01 -3.835723e-05 1.251366e-01 3.308211e-01 0.000485 0.001021 True native_MD 7 84 106 - CB_AB42_10 CB_AB42_12 1 0.000000e+00 3.627979e-05 ; 3.800147e-01 -3.627979e-05 1.023075e-01 2.426919e-01 0.000485 0.001021 True native_MD 7 84 107 + CB_AB42_10 N_AB42_11 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 94 + CB_AB42_10 CA_AB42_11 1 0.000000e+00 3.181333e-05 ; 3.758770e-01 -3.181333e-05 1.000000e+00 9.999940e-01 0.000485 0.000060 True native_MD 4 84 96 + CB_AB42_10 CB_AB42_11 1 0.000000e+00 1.461357e-05 ; 3.522827e-01 -1.461357e-05 6.469649e-01 5.935221e-01 0.000485 0.000060 True native_MD 5 84 97 + CB_AB42_10 CG_AB42_11 1 0.000000e+00 1.476812e-05 ; 3.525917e-01 -1.476812e-05 3.173388e-01 2.739063e-01 0.000485 0.000060 True native_MD 6 84 98 + CB_AB42_10 CD_AB42_11 1 0.000000e+00 6.056729e-06 ; 3.273519e-01 -6.056729e-06 5.769338e-02 1.394027e-02 0.000485 0.000060 True native_MD 7 84 99 + CB_AB42_10 OE1_AB42_11 1 0.000000e+00 1.589400e-06 ; 2.928180e-01 -1.589400e-06 2.959108e-02 3.698922e-03 0.000485 0.000060 True native_MD 7 84 100 + CB_AB42_10 OE2_AB42_11 1 0.000000e+00 1.589400e-06 ; 2.928180e-01 -1.589400e-06 2.959108e-02 3.698922e-03 0.000485 0.000060 True native_MD 7 84 101 + CB_AB42_10 C_AB42_11 1 0.000000e+00 7.369225e-06 ; 3.327465e-01 -7.369225e-06 3.188385e-01 4.823045e-01 0.000485 0.000060 True native_MD 5 84 102 + CB_AB42_10 O_AB42_11 1 0.000000e+00 1.992397e-06 ; 2.983845e-01 -1.992397e-06 1.200057e-01 1.084702e-01 0.000485 0.000060 True native_MD 6 84 103 + CB_AB42_10 N_AB42_12 1 0.000000e+00 4.491489e-06 ; 3.192965e-01 -4.491489e-06 9.472488e-02 3.165553e-01 0.000485 0.000060 True native_MD 6 84 104 + CB_AB42_10 CA_AB42_12 1 0.000000e+00 3.835707e-05 ; 3.817820e-01 -3.835707e-05 1.251366e-01 3.308211e-01 0.000485 0.001021 True native_MD 7 84 106 + CB_AB42_10 CB_AB42_12 1 0.000000e+00 3.627964e-05 ; 3.800146e-01 -3.627964e-05 1.023075e-01 2.426919e-01 0.000485 0.001021 True native_MD 7 84 107 CB_AB42_10 CG1_AB42_12 1 1.284070e-03 3.260971e-06 ; 3.693684e-01 1.264067e-01 9.312351e-02 8.276270e-02 0.000485 0.002332 True native_MD 7 84 108 CB_AB42_10 CG2_AB42_12 1 9.286607e-04 2.458901e-06 ; 3.719467e-01 8.768255e-02 6.314685e-02 1.788185e-01 0.000485 0.002332 True native_MD 7 84 109 - CB_AB42_10 C_AB42_12 1 0.000000e+00 7.101551e-06 ; 3.317221e-01 -7.101551e-06 2.166768e-02 1.428541e-01 0.000485 0.000060 True native_MD 7 84 110 - CB_AB42_10 O_AB42_12 1 0.000000e+00 2.297202e-06 ; 3.019453e-01 -2.297202e-06 1.592702e-02 1.556066e-01 0.000485 0.001191 True native_MD 7 84 111 - CB_AB42_10 N_AB42_13 1 0.000000e+00 3.822313e-06 ; 3.150326e-01 -3.822313e-06 2.316633e-02 6.294549e-02 0.000485 0.000060 True native_MD 7 84 112 + CB_AB42_10 C_AB42_12 1 0.000000e+00 7.101432e-06 ; 3.317217e-01 -7.101432e-06 2.166768e-02 1.428541e-01 0.000485 0.000060 True native_MD 7 84 110 + CB_AB42_10 O_AB42_12 1 0.000000e+00 2.297194e-06 ; 3.019452e-01 -2.297194e-06 1.592702e-02 1.556066e-01 0.000485 0.001191 True native_MD 7 84 111 + CB_AB42_10 N_AB42_13 1 0.000000e+00 3.822263e-06 ; 3.150323e-01 -3.822263e-06 2.316633e-02 6.294549e-02 0.000485 0.000060 True native_MD 7 84 112 CB_AB42_10 CA_AB42_13 1 2.639518e-03 2.208486e-05 ; 4.505694e-01 7.886690e-02 8.129677e-02 1.312132e-01 0.000485 0.001021 True native_MD 7 84 114 CB_AB42_10 CB_AB42_13 1 1.943176e-03 9.312368e-06 ; 4.106054e-01 1.013687e-01 1.057103e-01 1.014400e-01 0.000485 0.001190 True native_MD 7 84 115 - CB_AB42_10 CG_AB42_13 1 0.000000e+00 6.465985e-06 ; 3.291404e-01 -6.465985e-06 4.399365e-02 6.483743e-02 0.000485 0.000060 True native_MD 7 84 116 - CB_AB42_10 ND1_AB42_13 1 0.000000e+00 4.935548e-06 ; 3.218150e-01 -4.935548e-06 3.353509e-02 5.698061e-02 0.000485 0.000060 True native_MD 7 84 117 + CB_AB42_10 CG_AB42_13 1 0.000000e+00 6.465876e-06 ; 3.291400e-01 -6.465876e-06 4.399365e-02 6.483743e-02 0.000485 0.000060 True native_MD 7 84 116 + CB_AB42_10 ND1_AB42_13 1 0.000000e+00 4.935463e-06 ; 3.218145e-01 -4.935463e-06 3.353509e-02 5.698061e-02 0.000485 0.000060 True native_MD 7 84 117 CB_AB42_10 CD2_AB42_13 1 1.034278e-03 2.112932e-06 ; 3.562116e-01 1.265695e-01 7.358390e-02 6.508435e-02 0.000485 0.002332 True native_MD 7 84 118 CB_AB42_10 CE1_AB42_13 1 6.878347e-04 1.115993e-06 ; 3.427911e-01 1.059856e-01 3.680559e-02 6.027388e-02 0.000485 0.002332 True native_MD 7 84 119 - CB_AB42_10 NE2_AB42_13 1 0.000000e+00 4.904150e-06 ; 3.216439e-01 -4.904150e-06 3.687009e-02 5.380469e-02 0.000485 0.000060 True native_MD 7 84 120 - CB_AB42_10 C_AB42_13 1 0.000000e+00 6.302615e-06 ; 3.284393e-01 -6.302615e-06 2.386636e-02 1.891748e-02 0.000485 0.000060 True native_MD 7 84 121 + CB_AB42_10 NE2_AB42_13 1 0.000000e+00 4.904065e-06 ; 3.216434e-01 -4.904065e-06 3.687009e-02 5.380469e-02 0.000485 0.000060 True native_MD 7 84 120 + CB_AB42_10 C_AB42_13 1 0.000000e+00 6.302509e-06 ; 3.284388e-01 -6.302509e-06 2.386636e-02 1.891748e-02 0.000485 0.000060 True native_MD 7 84 121 CB_AB42_10 O_AB42_13 1 3.877401e-04 3.042796e-07 ; 3.037074e-01 1.235233e-01 2.908421e-02 1.438577e-02 0.000485 0.001191 True native_MD 7 84 122 - CB_AB42_10 N_AB42_14 1 0.000000e+00 3.675797e-06 ; 3.140082e-01 -3.675797e-06 9.199871e-03 9.122562e-03 0.000485 0.000060 True native_MD 7 84 123 + CB_AB42_10 N_AB42_14 1 0.000000e+00 3.675749e-06 ; 3.140078e-01 -3.675749e-06 9.199871e-03 9.122562e-03 0.000485 0.000060 True native_MD 7 84 123 CB_AB42_10 CA_AB42_14 1 3.780523e-03 2.561208e-05 ; 4.349929e-01 1.395080e-01 9.080974e-02 2.387288e-02 0.000485 0.001021 True native_MD 7 84 125 CB_AB42_10 CB_AB42_14 1 1.989811e-03 6.333604e-06 ; 3.835364e-01 1.562833e-01 1.161785e-01 2.155319e-02 0.000485 0.001190 True native_MD 7 84 126 - CB_AB42_10 CG_AB42_14 1 0.000000e+00 5.941626e-06 ; 3.268289e-01 -5.941626e-06 7.899138e-02 1.704995e-02 0.000485 0.000060 True native_MD 7 84 127 - CB_AB42_10 ND1_AB42_14 1 0.000000e+00 4.580372e-06 ; 3.198184e-01 -4.580372e-06 7.293230e-02 2.272765e-02 0.000485 0.000060 True native_MD 7 84 128 + CB_AB42_10 CG_AB42_14 1 0.000000e+00 5.941527e-06 ; 3.268284e-01 -5.941527e-06 7.899138e-02 1.704995e-02 0.000485 0.000060 True native_MD 7 84 127 + CB_AB42_10 ND1_AB42_14 1 0.000000e+00 4.580292e-06 ; 3.198179e-01 -4.580292e-06 7.293230e-02 2.272765e-02 0.000485 0.000060 True native_MD 7 84 128 CB_AB42_10 CD2_AB42_14 1 9.551555e-04 1.452526e-06 ; 3.391108e-01 1.570234e-01 7.590924e-02 2.698913e-02 0.000485 0.002332 True native_MD 7 84 129 CB_AB42_10 CE1_AB42_14 1 1.237702e-03 2.809242e-06 ; 3.625174e-01 1.363274e-01 5.726432e-02 3.782311e-02 0.000485 0.002332 True native_MD 7 84 130 - CB_AB42_10 NE2_AB42_14 1 0.000000e+00 4.744345e-06 ; 3.207572e-01 -4.744345e-06 4.862077e-02 3.241792e-02 0.000485 0.000060 True native_MD 7 84 131 - CB_AB42_10 C_AB42_14 1 0.000000e+00 6.190572e-06 ; 3.279487e-01 -6.190572e-06 2.609217e-02 3.453970e-03 0.000485 0.000060 True native_MD 7 84 132 + CB_AB42_10 NE2_AB42_14 1 0.000000e+00 4.744263e-06 ; 3.207567e-01 -4.744263e-06 4.862077e-02 3.241792e-02 0.000485 0.000060 True native_MD 7 84 131 + CB_AB42_10 C_AB42_14 1 0.000000e+00 6.190468e-06 ; 3.279482e-01 -6.190468e-06 2.609217e-02 3.453970e-03 0.000485 0.000060 True native_MD 7 84 132 CB_AB42_10 O_AB42_14 1 7.318388e-04 9.144238e-07 ; 3.281875e-01 1.464277e-01 1.356725e-02 3.381319e-03 0.000485 0.001191 True native_MD 7 84 133 CB_AB42_10 N_AB42_15 1 9.521083e-04 3.014522e-06 ; 3.831969e-01 7.517861e-02 1.799065e-02 1.896599e-03 0.000485 0.000060 True native_MD 7 84 134 CB_AB42_10 CA_AB42_15 1 2.660084e-03 1.222130e-05 ; 4.077278e-01 1.447483e-01 4.235781e-02 9.519184e-03 0.000485 0.001021 True native_MD 7 84 136 CB_AB42_10 CB_AB42_15 1 1.889677e-03 5.735583e-06 ; 3.805091e-01 1.556458e-01 5.486696e-02 1.037486e-02 0.000485 0.001190 True native_MD 7 84 137 CB_AB42_10 CG_AB42_15 1 2.127038e-03 6.921345e-06 ; 3.849484e-01 1.634180e-01 9.650504e-02 1.446133e-02 0.000485 0.001190 True native_MD 7 84 138 - CB_AB42_10 CD_AB42_15 1 0.000000e+00 5.818158e-06 ; 3.262575e-01 -5.818158e-06 9.508805e-02 1.365355e-02 0.000485 0.000060 True native_MD 7 84 139 + CB_AB42_10 CD_AB42_15 1 0.000000e+00 5.818060e-06 ; 3.262570e-01 -5.818060e-06 9.508805e-02 1.365355e-02 0.000485 0.000060 True native_MD 7 84 139 CB_AB42_10 OE1_AB42_15 1 6.571562e-04 6.699369e-07 ; 3.172446e-01 1.611549e-01 7.314526e-02 1.173213e-02 0.000485 0.001191 True native_MD 7 84 140 - CB_AB42_10 NE2_AB42_15 1 0.000000e+00 5.864600e-06 ; 3.264737e-01 -5.864600e-06 8.937714e-02 1.570550e-02 0.000485 0.000060 True native_MD 7 84 141 - CB_AB42_10 C_AB42_15 1 0.000000e+00 6.267218e-06 ; 3.282851e-01 -6.267218e-06 1.261799e-02 2.080593e-03 0.000485 0.000060 True native_MD 7 84 142 + CB_AB42_10 NE2_AB42_15 1 0.000000e+00 5.864567e-06 ; 3.264735e-01 -5.864567e-06 8.937714e-02 1.570550e-02 0.000485 0.000060 True native_MD 7 84 141 + CB_AB42_10 C_AB42_15 1 0.000000e+00 6.267112e-06 ; 3.282847e-01 -6.267112e-06 1.261799e-02 2.080593e-03 0.000485 0.000060 True native_MD 7 84 142 CB_AB42_10 O_AB42_15 1 5.769051e-04 5.393431e-07 ; 3.126992e-01 1.542708e-01 1.060524e-02 2.090168e-03 0.000485 0.001191 True native_MD 7 84 143 - CB_AB42_10 N_AB42_16 1 0.000000e+00 3.656724e-06 ; 3.138721e-01 -3.656724e-06 6.508255e-03 1.242286e-03 0.000485 0.000060 True native_MD 7 84 144 + CB_AB42_10 N_AB42_16 1 0.000000e+00 3.656675e-06 ; 3.138717e-01 -3.656675e-06 6.508255e-03 1.242286e-03 0.000485 0.000060 True native_MD 7 84 144 CB_AB42_10 CA_AB42_16 1 2.861945e-03 1.444344e-05 ; 4.141601e-01 1.417724e-01 2.445360e-02 6.007385e-03 0.000485 0.001021 True native_MD 7 84 146 CB_AB42_10 CB_AB42_16 1 2.475278e-03 1.078533e-05 ; 4.041428e-01 1.420217e-01 1.892163e-02 5.378952e-03 0.000485 0.001190 True native_MD 7 84 147 CB_AB42_10 CG_AB42_16 1 1.719621e-03 5.327099e-06 ; 3.818062e-01 1.387761e-01 2.475061e-02 7.753661e-03 0.000485 0.001190 True native_MD 7 84 148 CB_AB42_10 CD_AB42_16 1 1.665164e-03 5.297294e-06 ; 3.835007e-01 1.308579e-01 2.526990e-02 1.003309e-02 0.000485 0.001190 True native_MD 7 84 149 CB_AB42_10 CE_AB42_16 1 1.669959e-03 5.599908e-06 ; 3.868826e-01 1.245005e-01 2.441703e-02 1.172599e-02 0.000485 0.001190 True native_MD 7 84 150 - CB_AB42_10 NZ_AB42_16 1 0.000000e+00 3.672581e-06 ; 3.139853e-01 -3.672581e-06 7.918011e-03 6.965772e-03 0.000485 0.000060 True native_MD 7 84 151 - CB_AB42_10 C_AB42_16 1 0.000000e+00 6.311037e-06 ; 3.284758e-01 -6.311037e-06 4.756359e-03 1.137106e-03 0.000485 0.000060 True native_MD 7 84 152 + CB_AB42_10 NZ_AB42_16 1 0.000000e+00 3.672533e-06 ; 3.139849e-01 -3.672533e-06 7.918011e-03 6.965772e-03 0.000485 0.000060 True native_MD 7 84 151 + CB_AB42_10 C_AB42_16 1 0.000000e+00 6.310931e-06 ; 3.284754e-01 -6.310931e-06 4.756359e-03 1.137106e-03 0.000485 0.000060 True native_MD 7 84 152 CB_AB42_10 O_AB42_16 1 4.964333e-04 4.781770e-07 ; 3.142592e-01 1.288466e-01 2.822671e-03 1.101386e-03 0.000485 0.001191 True native_MD 7 84 153 CB_AB42_10 N_AB42_17 1 6.534247e-04 1.056515e-06 ; 3.425942e-01 1.010312e-01 3.831195e-03 1.863227e-04 0.000485 0.000060 True native_MD 7 84 154 CB_AB42_10 CA_AB42_17 1 2.512147e-03 1.070059e-05 ; 4.026185e-01 1.474425e-01 9.321393e-03 1.932551e-03 0.000485 0.001021 True native_MD 7 84 156 @@ -21548,16 +21548,16 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_10 CG_AB42_17 1 3.494229e-03 2.288145e-05 ; 4.325358e-01 1.334010e-01 1.959207e-02 6.183340e-03 0.000485 0.001021 True native_MD 7 84 158 CB_AB42_10 CD1_AB42_17 1 1.388633e-03 3.093296e-06 ; 3.613868e-01 1.558453e-01 1.874652e-02 6.903884e-03 0.000485 0.002332 True native_MD 7 84 159 CB_AB42_10 CD2_AB42_17 1 1.581891e-03 3.889276e-06 ; 3.673799e-01 1.608511e-01 1.576516e-02 4.998179e-03 0.000485 0.002332 True native_MD 7 84 160 - CB_AB42_10 C_AB42_17 1 0.000000e+00 6.315230e-06 ; 3.284940e-01 -6.315230e-06 3.373032e-03 4.158417e-04 0.000485 0.000060 True native_MD 7 84 161 + CB_AB42_10 C_AB42_17 1 0.000000e+00 6.315124e-06 ; 3.284935e-01 -6.315124e-06 3.373032e-03 4.158417e-04 0.000485 0.000060 True native_MD 7 84 161 CB_AB42_10 O_AB42_17 1 5.090969e-04 5.044021e-07 ; 3.157399e-01 1.284589e-01 2.790105e-03 7.215892e-04 0.000485 0.001191 True native_MD 7 84 162 CB_AB42_10 N_AB42_18 1 1.140099e-03 2.934918e-06 ; 3.702049e-01 1.107208e-01 2.154117e-03 7.839125e-05 0.000485 0.000060 True native_MD 7 84 163 CB_AB42_10 CA_AB42_18 1 2.681013e-03 1.553933e-05 ; 4.238272e-01 1.156394e-01 5.605864e-03 3.010421e-03 0.000485 0.001021 True native_MD 7 84 165 CB_AB42_10 CB_AB42_18 1 2.192944e-03 1.062286e-05 ; 4.113413e-01 1.131758e-01 9.789511e-03 5.659313e-03 0.000485 0.001021 True native_MD 7 84 166 CB_AB42_10 CG1_AB42_18 1 1.435368e-03 3.960655e-06 ; 3.745133e-01 1.300468e-01 6.792336e-03 5.413600e-03 0.000485 0.002332 True native_MD 7 84 167 CB_AB42_10 CG2_AB42_18 1 1.369842e-03 3.196026e-06 ; 3.641860e-01 1.467813e-01 9.588812e-03 4.631678e-03 0.000485 0.002332 True native_MD 7 84 168 - CB_AB42_10 C_AB42_18 1 0.000000e+00 6.329390e-06 ; 3.285553e-01 -6.329390e-06 1.585508e-03 8.639071e-04 0.000485 0.000060 True native_MD 7 84 169 + CB_AB42_10 C_AB42_18 1 0.000000e+00 6.329284e-06 ; 3.285549e-01 -6.329284e-06 1.585508e-03 8.639071e-04 0.000485 0.000060 True native_MD 7 84 169 CB_AB42_10 O_AB42_18 1 4.106575e-04 4.137865e-07 ; 3.166281e-01 1.018881e-01 1.259762e-03 8.812739e-04 0.000485 0.001191 True native_MD 7 84 170 - CB_AB42_10 N_AB42_19 1 0.000000e+00 3.673274e-06 ; 3.139902e-01 -3.673274e-06 1.163055e-03 3.993484e-04 0.000485 0.000060 True native_MD 7 84 171 + CB_AB42_10 N_AB42_19 1 0.000000e+00 3.673226e-06 ; 3.139899e-01 -3.673226e-06 1.163055e-03 3.993484e-04 0.000485 0.000060 True native_MD 7 84 171 CB_AB42_10 CA_AB42_19 1 1.773672e-03 6.953420e-06 ; 3.970887e-01 1.131066e-01 4.876039e-03 2.824678e-03 0.000485 0.001021 True native_MD 7 84 173 CB_AB42_10 CB_AB42_19 1 1.595196e-03 5.301562e-06 ; 3.863062e-01 1.199953e-01 6.182634e-03 3.397675e-03 0.000485 0.001190 True native_MD 7 84 174 CB_AB42_10 CG_AB42_19 1 1.220265e-03 2.680904e-06 ; 3.605547e-01 1.388567e-01 4.540663e-03 2.780478e-03 0.000485 0.002332 True native_MD 7 84 175 @@ -21566,9 +21566,9 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_10 CE1_AB42_19 1 1.103996e-03 2.284590e-06 ; 3.569769e-01 1.333728e-01 8.327970e-03 6.009147e-03 0.000485 0.002332 True native_MD 7 84 178 CB_AB42_10 CE2_AB42_19 1 1.103996e-03 2.284590e-06 ; 3.569769e-01 1.333728e-01 8.327970e-03 6.009147e-03 0.000485 0.002332 True native_MD 7 84 179 CB_AB42_10 CZ_AB42_19 1 1.285026e-03 2.973841e-06 ; 3.636925e-01 1.388180e-01 1.035014e-02 6.345259e-03 0.000485 0.002332 True native_MD 7 84 180 - CB_AB42_10 C_AB42_19 1 0.000000e+00 6.327368e-06 ; 3.285466e-01 -6.327368e-06 1.845573e-03 8.046274e-04 0.000485 0.000060 True native_MD 7 84 181 + CB_AB42_10 C_AB42_19 1 0.000000e+00 6.327262e-06 ; 3.285461e-01 -6.327262e-06 1.845573e-03 8.046274e-04 0.000485 0.000060 True native_MD 7 84 181 CB_AB42_10 O_AB42_19 1 5.758217e-04 7.264241e-07 ; 3.287131e-01 1.141105e-01 1.816102e-03 8.631590e-04 0.000485 0.001191 True native_MD 7 84 182 - CB_AB42_10 N_AB42_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 183 + CB_AB42_10 N_AB42_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 183 CB_AB42_10 CA_AB42_20 1 5.153754e-03 6.202328e-05 ; 4.787093e-01 1.070613e-01 2.742896e-03 1.904058e-03 0.000485 0.001021 True native_MD 7 84 185 CB_AB42_10 CB_AB42_20 1 2.133099e-03 1.067061e-05 ; 4.135516e-01 1.066038e-01 3.578427e-03 2.935929e-03 0.000485 0.001190 True native_MD 7 84 186 CB_AB42_10 CG_AB42_20 1 1.650305e-03 5.209177e-06 ; 3.830018e-01 1.307071e-01 2.984282e-03 1.986047e-03 0.000485 0.002332 True native_MD 7 84 187 @@ -21577,31 +21577,31 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_10 CE1_AB42_20 1 1.296391e-03 2.972951e-06 ; 3.631410e-01 1.413267e-01 9.358811e-03 5.322550e-03 0.000485 0.002332 True native_MD 7 84 190 CB_AB42_10 CE2_AB42_20 1 1.296391e-03 2.972951e-06 ; 3.631410e-01 1.413267e-01 9.358811e-03 5.322550e-03 0.000485 0.002332 True native_MD 7 84 191 CB_AB42_10 CZ_AB42_20 1 1.341500e-03 3.190518e-06 ; 3.653522e-01 1.410133e-01 1.083420e-02 6.219686e-03 0.000485 0.002332 True native_MD 7 84 192 - CB_AB42_10 C_AB42_20 1 0.000000e+00 6.328990e-06 ; 3.285536e-01 -6.328990e-06 1.302163e-03 5.173850e-04 0.000485 0.000060 True native_MD 7 84 193 + CB_AB42_10 C_AB42_20 1 0.000000e+00 6.328884e-06 ; 3.285531e-01 -6.328884e-06 1.302163e-03 5.173850e-04 0.000485 0.000060 True native_MD 7 84 193 CB_AB42_10 O_AB42_20 1 4.710987e-04 6.018604e-07 ; 3.294053e-01 9.218665e-02 9.423293e-04 4.896695e-04 0.000485 0.001191 True native_MD 7 84 194 - CB_AB42_10 N_AB42_21 1 0.000000e+00 3.672610e-06 ; 3.139855e-01 -3.672610e-06 1.320281e-03 3.758445e-04 0.000485 0.000060 True native_MD 7 84 195 + CB_AB42_10 N_AB42_21 1 0.000000e+00 3.672562e-06 ; 3.139851e-01 -3.672562e-06 1.320281e-03 3.758445e-04 0.000485 0.000060 True native_MD 7 84 195 CB_AB42_10 CA_AB42_21 1 1.487779e-03 4.851367e-06 ; 3.850830e-01 1.140651e-01 3.730630e-03 2.100041e-03 0.000485 0.001021 True native_MD 7 84 197 CB_AB42_10 CB_AB42_21 1 1.376606e-03 3.402129e-06 ; 3.676971e-01 1.392544e-01 4.062266e-03 2.457919e-03 0.000485 0.002332 True native_MD 7 84 198 - CB_AB42_10 C_AB42_21 1 0.000000e+00 6.327096e-06 ; 3.285454e-01 -6.327096e-06 1.422095e-03 3.381814e-04 0.000485 0.000060 True native_MD 7 84 199 + CB_AB42_10 C_AB42_21 1 0.000000e+00 6.326989e-06 ; 3.285449e-01 -6.326989e-06 1.422095e-03 3.381814e-04 0.000485 0.000060 True native_MD 7 84 199 CB_AB42_10 O_AB42_21 1 8.989040e-04 2.466986e-06 ; 3.741757e-01 8.188418e-02 6.923168e-04 3.803074e-04 0.000485 0.001191 True native_MD 7 84 200 CB_AB42_10 N_AB42_22 1 7.391067e-04 1.557277e-06 ; 3.580495e-01 8.769777e-02 8.238767e-04 5.233022e-05 0.000485 0.000060 True native_MD 7 84 201 CB_AB42_10 CA_AB42_22 1 1.834238e-03 7.458706e-06 ; 3.995164e-01 1.127686e-01 1.744613e-03 7.389152e-04 0.000485 0.001021 True native_MD 7 84 203 CB_AB42_10 CB_AB42_22 1 1.156298e-03 3.154531e-06 ; 3.738042e-01 1.059608e-01 1.423050e-03 1.092146e-03 0.000485 0.001190 True native_MD 7 84 204 CB_AB42_10 CG_AB42_22 1 1.862743e-03 9.539429e-06 ; 4.151722e-01 9.093344e-02 1.342505e-03 1.760483e-03 0.000485 0.001190 True native_MD 7 84 205 - CB_AB42_10 CD_AB42_22 1 0.000000e+00 6.343132e-06 ; 3.286147e-01 -6.343132e-06 7.124724e-04 2.160358e-03 0.000485 0.000060 True native_MD 7 84 206 - CB_AB42_10 OE1_AB42_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 207 - CB_AB42_10 OE2_AB42_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 208 - CB_AB42_10 C_AB42_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 209 + CB_AB42_10 CD_AB42_22 1 0.000000e+00 6.343025e-06 ; 3.286142e-01 -6.343025e-06 7.124724e-04 2.160358e-03 0.000485 0.000060 True native_MD 7 84 206 + CB_AB42_10 OE1_AB42_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 207 + CB_AB42_10 OE2_AB42_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 208 + CB_AB42_10 C_AB42_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 209 CB_AB42_10 O_AB42_22 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 1.854352e-04 1.321875e-04 0.000485 0.001191 True native_MD 7 84 210 - CB_AB42_10 N_AB42_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 211 + CB_AB42_10 N_AB42_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 211 CB_AB42_10 CA_AB42_23 1 1.673072e-03 7.701669e-06 ; 4.078606e-01 9.086243e-02 9.057162e-04 5.776820e-04 0.000485 0.001021 True native_MD 7 84 213 CB_AB42_10 CB_AB42_23 1 1.632789e-03 7.827638e-06 ; 4.106295e-01 8.514700e-02 7.633270e-04 1.050400e-03 0.000485 0.001190 True native_MD 7 84 214 - CB_AB42_10 CG_AB42_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 215 - CB_AB42_10 OD1_AB42_23 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 216 - CB_AB42_10 OD2_AB42_23 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 217 - CB_AB42_10 C_AB42_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 218 + CB_AB42_10 CG_AB42_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 215 + CB_AB42_10 OD1_AB42_23 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 216 + CB_AB42_10 OD2_AB42_23 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 217 + CB_AB42_10 C_AB42_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 218 CB_AB42_10 O_AB42_23 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 2.016858e-04 2.211126e-04 0.000485 0.001191 True native_MD 7 84 219 - CB_AB42_10 N_AB42_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 220 + CB_AB42_10 N_AB42_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 220 CB_AB42_10 CA_AB42_24 1 6.688779e-03 6.382235e-05 ; 4.605439e-01 1.752512e-01 1.131786e-02 5.267036e-04 0.000485 0.001021 True native_MD 7 84 222 CB_AB42_10 CB_AB42_24 1 3.372595e-03 1.565824e-05 ; 4.084414e-01 1.816040e-01 1.508499e-02 1.125147e-03 0.000485 0.001021 True native_MD 7 84 223 CB_AB42_10 CG1_AB42_24 1 1.730838e-03 4.095394e-06 ; 3.650395e-01 1.828762e-01 1.421884e-02 9.993556e-04 0.000485 0.002332 True native_MD 7 84 224 @@ -21615,15 +21615,15 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_10 N_AB42_26 1 1.429989e-03 5.645493e-06 ; 3.975529e-01 9.055309e-02 8.973705e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 84 233 CB_AB42_10 CA_AB42_26 1 4.596189e-03 3.999939e-05 ; 4.535334e-01 1.320330e-01 3.105073e-03 6.825091e-04 0.000485 0.001021 True native_MD 7 84 235 CB_AB42_10 CB_AB42_26 1 1.416324e-03 3.934227e-06 ; 3.749294e-01 1.274693e-01 2.708693e-03 6.242376e-04 0.000485 0.001190 True native_MD 7 84 236 - CB_AB42_10 OG_AB42_26 1 0.000000e+00 2.780597e-06 ; 3.067890e-01 -2.780597e-06 1.617111e-03 5.723173e-04 0.000485 0.000060 True native_MD 7 84 237 - CB_AB42_10 C_AB42_26 1 0.000000e+00 6.329612e-06 ; 3.285563e-01 -6.329612e-06 8.013408e-04 1.147859e-04 0.000485 0.000060 True native_MD 7 84 238 + CB_AB42_10 OG_AB42_26 1 0.000000e+00 2.780556e-06 ; 3.067887e-01 -2.780556e-06 1.617111e-03 5.723173e-04 0.000485 0.000060 True native_MD 7 84 237 + CB_AB42_10 C_AB42_26 1 0.000000e+00 6.329506e-06 ; 3.285558e-01 -6.329506e-06 8.013408e-04 1.147859e-04 0.000485 0.000060 True native_MD 7 84 238 CB_AB42_10 O_AB42_26 1 3.193032e-04 3.091126e-07 ; 3.145229e-01 8.245743e-02 7.042960e-04 3.281280e-04 0.000485 0.001191 True native_MD 7 84 239 - CB_AB42_10 N_AB42_27 1 0.000000e+00 3.674829e-06 ; 3.140013e-01 -3.674829e-06 4.908609e-04 1.499945e-04 0.000485 0.000060 True native_MD 7 84 240 + CB_AB42_10 N_AB42_27 1 0.000000e+00 3.674780e-06 ; 3.140009e-01 -3.674780e-06 4.908609e-04 1.499945e-04 0.000485 0.000060 True native_MD 7 84 240 CB_AB42_10 CA_AB42_27 1 2.180864e-03 8.250379e-06 ; 3.947367e-01 1.441197e-01 4.458198e-03 6.283123e-04 0.000485 0.001021 True native_MD 7 84 242 CB_AB42_10 CB_AB42_27 1 1.922701e-03 6.253570e-06 ; 3.849190e-01 1.477867e-01 4.975292e-03 6.919226e-04 0.000485 0.001190 True native_MD 7 84 243 - CB_AB42_10 CG_AB42_27 1 0.000000e+00 6.323536e-06 ; 3.285300e-01 -6.323536e-06 2.455852e-03 8.099222e-04 0.000485 0.000060 True native_MD 7 84 244 + CB_AB42_10 CG_AB42_27 1 0.000000e+00 6.323430e-06 ; 3.285295e-01 -6.323430e-06 2.455852e-03 8.099222e-04 0.000485 0.000060 True native_MD 7 84 244 CB_AB42_10 OD1_AB42_27 1 7.248234e-04 1.160685e-06 ; 3.420427e-01 1.131592e-01 1.765127e-03 5.842413e-04 0.000485 0.001191 True native_MD 7 84 245 - CB_AB42_10 ND2_AB42_27 1 0.000000e+00 6.324186e-06 ; 3.285328e-01 -6.324186e-06 2.026474e-03 9.477040e-04 0.000485 0.000060 True native_MD 7 84 246 + CB_AB42_10 ND2_AB42_27 1 0.000000e+00 6.324151e-06 ; 3.285326e-01 -6.324151e-06 2.026474e-03 9.477040e-04 0.000485 0.000060 True native_MD 7 84 246 CB_AB42_10 C_AB42_27 1 1.193633e-03 3.962323e-06 ; 3.862304e-01 8.989427e-02 3.056914e-03 2.074710e-04 0.000485 0.000060 True native_MD 7 84 247 CB_AB42_10 O_AB42_27 1 5.598607e-04 6.026551e-07 ; 3.201338e-01 1.300263e-01 2.924095e-03 1.729574e-04 0.000485 0.001191 True native_MD 7 84 248 CB_AB42_10 N_AB42_28 1 1.664850e-03 6.000417e-06 ; 3.915625e-01 1.154806e-01 1.892107e-03 5.001533e-05 0.000485 0.000060 True native_MD 7 84 249 @@ -21632,17 +21632,17 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_10 CG_AB42_28 1 1.744144e-03 4.928808e-06 ; 3.760047e-01 1.542989e-01 6.045808e-03 4.068399e-04 0.000485 0.001190 True native_MD 7 84 253 CB_AB42_10 CD_AB42_28 1 2.463321e-03 8.952561e-06 ; 3.921068e-01 1.694474e-01 9.513372e-03 9.052946e-04 0.000485 0.001190 True native_MD 7 84 254 CB_AB42_10 CE_AB42_28 1 2.094027e-03 6.057121e-06 ; 3.774684e-01 1.809833e-01 1.343578e-02 9.864113e-04 0.000485 0.001190 True native_MD 7 84 255 - CB_AB42_10 NZ_AB42_28 1 0.000000e+00 3.660880e-06 ; 3.139018e-01 -3.660880e-06 4.861124e-03 7.256971e-04 0.000485 0.000060 True native_MD 7 84 256 + CB_AB42_10 NZ_AB42_28 1 0.000000e+00 3.660831e-06 ; 3.139014e-01 -3.660831e-06 4.861124e-03 7.256971e-04 0.000485 0.000060 True native_MD 7 84 256 CB_AB42_10 C_AB42_28 1 1.392866e-03 5.284464e-06 ; 3.949256e-01 9.178200e-02 2.097045e-03 1.345079e-04 0.000485 0.000060 True native_MD 7 84 257 CB_AB42_10 O_AB42_28 1 5.599785e-04 7.871738e-07 ; 3.346955e-01 9.958916e-02 1.176009e-03 1.926748e-04 0.000485 0.001191 True native_MD 7 84 258 CB_AB42_10 N_AB42_29 1 8.141589e-04 1.634999e-06 ; 3.551960e-01 1.013540e-01 2.077622e-03 1.000696e-04 0.000485 0.000060 True native_MD 7 84 259 CB_AB42_10 CA_AB42_29 1 1.205471e-03 2.576322e-06 ; 3.589003e-01 1.410113e-01 4.062186e-03 9.020045e-04 0.000485 0.001190 True native_MD 7 84 261 - CB_AB42_10 C_AB42_29 1 0.000000e+00 6.322937e-06 ; 3.285274e-01 -6.322937e-06 2.235085e-03 4.945756e-04 0.000485 0.000060 True native_MD 7 84 262 + CB_AB42_10 C_AB42_29 1 0.000000e+00 6.322831e-06 ; 3.285269e-01 -6.322831e-06 2.235085e-03 4.945756e-04 0.000485 0.000060 True native_MD 7 84 262 CB_AB42_10 O_AB42_29 1 4.538815e-04 4.580506e-07 ; 3.167100e-01 1.124376e-01 1.727417e-03 6.399517e-04 0.000485 0.001191 True native_MD 7 84 263 CB_AB42_10 N_AB42_30 1 9.283131e-04 2.476051e-06 ; 3.724010e-01 8.701005e-02 1.327426e-03 9.821319e-05 0.000485 0.000060 True native_MD 7 84 264 CB_AB42_10 CA_AB42_30 1 4.059155e-03 2.626276e-05 ; 4.316689e-01 1.568451e-01 6.524488e-03 7.609440e-04 0.000485 0.001021 True native_MD 7 84 266 CB_AB42_10 CB_AB42_30 1 1.511962e-03 3.534710e-06 ; 3.643081e-01 1.616844e-01 7.541220e-03 7.952550e-04 0.000485 0.002332 True native_MD 7 84 267 - CB_AB42_10 C_AB42_30 1 0.000000e+00 6.322901e-06 ; 3.285272e-01 -6.322901e-06 1.991766e-03 2.455855e-04 0.000485 0.000060 True native_MD 7 84 268 + CB_AB42_10 C_AB42_30 1 0.000000e+00 6.322795e-06 ; 3.285268e-01 -6.322795e-06 1.991766e-03 2.455855e-04 0.000485 0.000060 True native_MD 7 84 268 CB_AB42_10 O_AB42_30 1 3.621819e-04 3.101756e-07 ; 3.081628e-01 1.057270e-01 1.413129e-03 2.281424e-04 0.000485 0.001191 True native_MD 7 84 269 CB_AB42_10 N_AB42_31 1 1.805102e-03 8.997794e-06 ; 4.133066e-01 9.053316e-02 8.968354e-04 5.506453e-05 0.000485 0.000060 True native_MD 7 84 270 CB_AB42_10 CA_AB42_31 1 6.025645e-03 5.002192e-05 ; 4.499796e-01 1.814624e-01 1.362982e-02 3.446189e-04 0.000485 0.001021 True native_MD 7 84 272 @@ -21720,27 +21720,27 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CB_AB42_10 N_AB42_42 1 1.013304e-03 2.775037e-06 ; 3.740429e-01 9.250202e-02 9.512648e-04 4.980473e-05 0.000485 0.000060 True native_MD 7 84 354 CB_AB42_10 CA_AB42_42 1 4.370835e-03 3.305441e-05 ; 4.430413e-01 1.444905e-01 4.507945e-03 3.218766e-04 0.000485 0.001021 True native_MD 7 84 356 CB_AB42_10 CB_AB42_42 1 1.452588e-03 3.506649e-06 ; 3.662618e-01 1.504293e-01 5.384714e-03 4.980936e-04 0.000485 0.002332 True native_MD 7 84 357 - CB_AB42_10 C_AB42_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 358 - CB_AB42_10 O1_AB42_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 359 - CB_AB42_10 O2_AB42_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 360 - CG_AB42_10 OH_AB42_10 1 0.000000e+00 1.141966e-06 ; 2.848609e-01 -1.141966e-06 9.999950e-01 9.999997e-01 0.000485 0.000060 True native_MD 4 85 91 - CG_AB42_10 O_AB42_10 1 0.000000e+00 6.894318e-07 ; 2.731299e-01 -6.894318e-07 7.640244e-01 5.977359e-01 0.000485 0.000060 True native_MD 4 85 93 - CG_AB42_10 N_AB42_11 1 0.000000e+00 1.522966e-06 ; 2.917780e-01 -1.522966e-06 7.239465e-01 7.337716e-01 0.000485 0.000060 True native_MD 4 85 94 - CG_AB42_10 CA_AB42_11 1 0.000000e+00 1.332206e-05 ; 3.495768e-01 -1.332206e-05 3.338330e-01 3.545345e-01 0.000485 0.000060 True native_MD 5 85 96 - CG_AB42_10 CB_AB42_11 1 0.000000e+00 6.417579e-06 ; 3.289344e-01 -6.417579e-06 4.953781e-02 6.273941e-02 0.000485 0.000060 True native_MD 6 85 97 + CB_AB42_10 C_AB42_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 358 + CB_AB42_10 O1_AB42_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 359 + CB_AB42_10 O2_AB42_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 360 + CG_AB42_10 OH_AB42_10 1 0.000000e+00 1.141948e-06 ; 2.848605e-01 -1.141948e-06 9.999950e-01 9.999997e-01 0.000485 0.000060 True native_MD 4 85 91 + CG_AB42_10 O_AB42_10 1 0.000000e+00 6.894286e-07 ; 2.731298e-01 -6.894286e-07 7.640244e-01 5.977359e-01 0.000485 0.000060 True native_MD 4 85 93 + CG_AB42_10 N_AB42_11 1 0.000000e+00 1.522945e-06 ; 2.917776e-01 -1.522945e-06 7.239465e-01 7.337716e-01 0.000485 0.000060 True native_MD 4 85 94 + CG_AB42_10 CA_AB42_11 1 0.000000e+00 1.332199e-05 ; 3.495767e-01 -1.332199e-05 3.338330e-01 3.545345e-01 0.000485 0.000060 True native_MD 5 85 96 + CG_AB42_10 CB_AB42_11 1 0.000000e+00 6.417472e-06 ; 3.289339e-01 -6.417472e-06 4.953781e-02 6.273941e-02 0.000485 0.000060 True native_MD 6 85 97 CG_AB42_10 CG_AB42_11 1 2.526121e-03 1.248795e-05 ; 4.127364e-01 1.277489e-01 6.356779e-02 5.427531e-02 0.000485 0.002332 True native_MD 7 85 98 CG_AB42_10 CD_AB42_11 1 2.178235e-03 1.073112e-05 ; 4.124995e-01 1.105362e-01 2.034012e-03 4.124869e-03 0.000485 0.003309 True native_MD 7 85 99 CG_AB42_10 OE1_AB42_11 1 9.470212e-04 2.154807e-06 ; 3.626671e-01 1.040522e-01 1.344048e-03 1.482309e-03 0.000485 0.003309 True native_MD 7 85 100 CG_AB42_10 OE2_AB42_11 1 9.470212e-04 2.154807e-06 ; 3.626671e-01 1.040522e-01 1.344048e-03 1.482309e-03 0.000485 0.003309 True native_MD 7 85 101 - CG_AB42_10 C_AB42_11 1 0.000000e+00 2.605811e-06 ; 3.051337e-01 -2.605811e-06 7.283045e-02 7.561689e-02 0.000485 0.000060 True native_MD 6 85 102 + CG_AB42_10 C_AB42_11 1 0.000000e+00 2.605765e-06 ; 3.051333e-01 -2.605765e-06 7.283045e-02 7.561689e-02 0.000485 0.000060 True native_MD 6 85 102 CG_AB42_10 O_AB42_11 1 1.029780e-03 2.085783e-06 ; 3.557029e-01 1.271043e-01 4.899695e-02 6.052131e-02 0.000485 0.003309 True native_MD 7 85 103 CG_AB42_10 N_AB42_12 1 1.154717e-03 3.578775e-06 ; 3.818356e-01 9.314447e-02 1.244151e-02 4.245913e-02 0.000485 0.003309 True native_MD 7 85 104 CG_AB42_10 CA_AB42_12 1 3.852220e-03 3.875982e-05 ; 4.646349e-01 9.571506e-02 3.454837e-02 6.375437e-02 0.000485 0.001933 True native_MD 7 85 106 CG_AB42_10 CB_AB42_12 1 2.776284e-03 2.225164e-05 ; 4.473523e-01 8.659758e-02 2.779436e-02 6.738076e-02 0.000485 0.001933 True native_MD 7 85 107 CG_AB42_10 CG1_AB42_12 1 2.190874e-03 7.453209e-06 ; 3.878118e-01 1.610021e-01 4.464315e-02 3.211398e-02 0.000485 0.005315 True native_MD 7 85 108 CG_AB42_10 CG2_AB42_12 1 1.772414e-03 6.739664e-06 ; 3.950744e-01 1.165284e-01 3.409002e-02 9.280591e-02 0.000485 0.005315 True native_MD 7 85 109 - CG_AB42_10 C_AB42_12 1 0.000000e+00 2.647905e-06 ; 3.055415e-01 -2.647905e-06 1.235859e-03 2.022137e-02 0.000485 0.003309 True native_MD 7 85 110 - CG_AB42_10 O_AB42_12 1 0.000000e+00 8.683289e-07 ; 2.784317e-01 -8.683289e-07 4.947636e-03 5.499468e-02 0.000485 0.003309 True native_MD 7 85 111 + CG_AB42_10 C_AB42_12 1 0.000000e+00 2.647858e-06 ; 3.055410e-01 -2.647858e-06 1.235859e-03 2.022137e-02 0.000485 0.003309 True native_MD 7 85 110 + CG_AB42_10 O_AB42_12 1 0.000000e+00 8.683249e-07 ; 2.784316e-01 -8.683249e-07 4.947636e-03 5.499468e-02 0.000485 0.003309 True native_MD 7 85 111 CG_AB42_10 N_AB42_13 1 1.596535e-03 7.086355e-06 ; 4.053910e-01 8.992363e-02 8.806249e-04 3.124772e-03 0.000485 0.003309 True native_MD 7 85 112 CG_AB42_10 CA_AB42_13 1 3.516772e-03 3.052228e-05 ; 4.533276e-01 1.013004e-01 1.954018e-02 3.050841e-02 0.000485 0.001933 True native_MD 7 85 114 CG_AB42_10 CB_AB42_13 1 1.699515e-03 5.924460e-06 ; 3.893922e-01 1.218825e-01 4.004607e-02 4.075382e-02 0.000485 0.002332 True native_MD 7 85 115 @@ -21941,10 +21941,10 @@ CG2_AB42_41 6 15.0350 0.0 A 1.663000e-03 4.609545e-06 CG_AB42_10 N_AB42_42 1 4.160990e-04 5.215387e-07 ; 3.283585e-01 8.299401e-02 7.156966e-04 0.000000e+00 0.000485 0.003309 True native_MD 7 85 354 CG_AB42_10 CA_AB42_42 1 3.686341e-03 2.435506e-05 ; 4.331772e-01 1.394896e-01 3.881354e-03 2.419063e-04 0.000485 0.001933 True native_MD 7 85 356 CG_AB42_10 CB_AB42_42 1 1.209292e-03 2.372766e-06 ; 3.538240e-01 1.540805e-01 6.006430e-03 2.776692e-04 0.000485 0.005315 True native_MD 7 85 357 -CD1_AB42_10 C_AB42_10 1 0.000000e+00 2.363339e-06 ; 3.026603e-01 -2.363339e-06 9.521775e-01 8.616544e-01 0.000485 0.000060 True native_MD 4 86 92 -CD1_AB42_10 O_AB42_10 1 0.000000e+00 8.032448e-07 ; 2.766298e-01 -8.032448e-07 2.512958e-01 2.226384e-01 0.000485 0.000060 True native_MD 5 86 93 -CD1_AB42_10 N_AB42_11 1 0.000000e+00 1.578606e-06 ; 2.926518e-01 -1.578606e-06 2.262831e-01 2.730007e-01 0.000485 0.000060 True native_MD 5 86 94 -CD1_AB42_10 CA_AB42_11 1 0.000000e+00 1.327464e-05 ; 3.494729e-01 -1.327464e-05 1.955503e-01 2.126188e-01 0.000485 0.000060 True native_MD 6 86 96 +CD1_AB42_10 C_AB42_10 1 0.000000e+00 2.363298e-06 ; 3.026599e-01 -2.363298e-06 9.521775e-01 8.616544e-01 0.000485 0.000060 True native_MD 4 86 92 +CD1_AB42_10 O_AB42_10 1 0.000000e+00 8.032411e-07 ; 2.766297e-01 -8.032411e-07 2.512958e-01 2.226384e-01 0.000485 0.000060 True native_MD 5 86 93 +CD1_AB42_10 N_AB42_11 1 0.000000e+00 1.578584e-06 ; 2.926514e-01 -1.578584e-06 2.262831e-01 2.730007e-01 0.000485 0.000060 True native_MD 5 86 94 +CD1_AB42_10 CA_AB42_11 1 0.000000e+00 1.327457e-05 ; 3.494728e-01 -1.327457e-05 1.955503e-01 2.126188e-01 0.000485 0.000060 True native_MD 6 86 96 CD1_AB42_10 CB_AB42_11 1 1.362559e-03 3.924082e-06 ; 3.771932e-01 1.182803e-01 5.467312e-02 6.197252e-02 0.000485 0.002332 True native_MD 7 86 97 CD1_AB42_10 CG_AB42_11 1 9.364621e-04 1.817024e-06 ; 3.531656e-01 1.206590e-01 5.047978e-02 5.328778e-02 0.000485 0.002332 True native_MD 7 86 98 CD1_AB42_10 CD_AB42_11 1 1.543223e-03 4.367039e-06 ; 3.760911e-01 1.363359e-01 1.475984e-02 1.383018e-02 0.000485 0.003309 True native_MD 7 86 99 @@ -21957,8 +21957,8 @@ CD1_AB42_10 CA_AB42_12 1 1.707183e-03 7.378072e-06 ; 4.035932e-01 9.875461 CD1_AB42_10 CB_AB42_12 1 1.480847e-03 5.535732e-06 ; 3.939527e-01 9.903429e-02 4.159520e-02 6.950031e-02 0.000485 0.001933 True native_MD 7 86 107 CD1_AB42_10 CG1_AB42_12 1 1.017335e-03 1.656837e-06 ; 3.430067e-01 1.561667e-01 4.148928e-02 3.449200e-02 0.000485 0.005315 True native_MD 7 86 108 CD1_AB42_10 CG2_AB42_12 1 8.569682e-04 1.473242e-06 ; 3.461133e-01 1.246222e-01 3.255930e-02 6.957156e-02 0.000485 0.005315 True native_MD 7 86 109 -CD1_AB42_10 C_AB42_12 1 0.000000e+00 2.664484e-06 ; 3.057005e-01 -2.664484e-06 3.160712e-03 2.852615e-02 0.000485 0.003309 True native_MD 7 86 110 -CD1_AB42_10 O_AB42_12 1 0.000000e+00 8.586809e-07 ; 2.781726e-01 -8.586809e-07 3.556015e-03 4.193603e-02 0.000485 0.003309 True native_MD 7 86 111 +CD1_AB42_10 C_AB42_12 1 0.000000e+00 2.664437e-06 ; 3.057000e-01 -2.664437e-06 3.160712e-03 2.852615e-02 0.000485 0.003309 True native_MD 7 86 110 +CD1_AB42_10 O_AB42_12 1 0.000000e+00 8.586770e-07 ; 2.781725e-01 -8.586770e-07 3.556015e-03 4.193603e-02 0.000485 0.003309 True native_MD 7 86 111 CD1_AB42_10 N_AB42_13 1 7.246754e-04 1.478490e-06 ; 3.561332e-01 8.879914e-02 1.591346e-03 6.184968e-03 0.000485 0.003309 True native_MD 7 86 112 CD1_AB42_10 CA_AB42_13 1 2.606190e-03 1.615782e-05 ; 4.286105e-01 1.050919e-01 2.356037e-02 3.283949e-02 0.000485 0.001933 True native_MD 7 86 114 CD1_AB42_10 CB_AB42_13 1 1.062966e-03 2.236732e-06 ; 3.579720e-01 1.262889e-01 4.010484e-02 3.577152e-02 0.000485 0.002332 True native_MD 7 86 115 @@ -22175,10 +22175,10 @@ CD1_AB42_10 N_AB42_42 1 4.593279e-04 4.427599e-07 ; 3.142975e-01 1.191290 CD1_AB42_10 CA_AB42_42 1 2.120541e-03 7.109282e-06 ; 3.868683e-01 1.581276e-01 6.779782e-03 3.117813e-04 0.000485 0.001933 True native_MD 7 86 356 CD1_AB42_10 CB_AB42_42 1 9.541085e-04 1.432914e-06 ; 3.384052e-01 1.588238e-01 6.922507e-03 7.065777e-04 0.000485 0.005315 True native_MD 7 86 357 CD1_AB42_10 C_AB42_42 1 8.339930e-04 2.263812e-06 ; 3.734906e-01 7.681119e-02 5.948027e-04 2.942311e-04 0.000485 0.003309 True native_MD 7 86 358 -CD2_AB42_10 C_AB42_10 1 0.000000e+00 2.363339e-06 ; 3.026603e-01 -2.363339e-06 9.521775e-01 8.616544e-01 0.000485 0.000060 True native_MD 4 87 92 -CD2_AB42_10 O_AB42_10 1 0.000000e+00 8.032448e-07 ; 2.766298e-01 -8.032448e-07 2.512958e-01 2.226384e-01 0.000485 0.000060 True native_MD 5 87 93 -CD2_AB42_10 N_AB42_11 1 0.000000e+00 1.578606e-06 ; 2.926518e-01 -1.578606e-06 2.262831e-01 2.730007e-01 0.000485 0.000060 True native_MD 5 87 94 -CD2_AB42_10 CA_AB42_11 1 0.000000e+00 1.327464e-05 ; 3.494729e-01 -1.327464e-05 1.955503e-01 2.126188e-01 0.000485 0.000060 True native_MD 6 87 96 +CD2_AB42_10 C_AB42_10 1 0.000000e+00 2.363298e-06 ; 3.026599e-01 -2.363298e-06 9.521775e-01 8.616544e-01 0.000485 0.000060 True native_MD 4 87 92 +CD2_AB42_10 O_AB42_10 1 0.000000e+00 8.032411e-07 ; 2.766297e-01 -8.032411e-07 2.512958e-01 2.226384e-01 0.000485 0.000060 True native_MD 5 87 93 +CD2_AB42_10 N_AB42_11 1 0.000000e+00 1.578584e-06 ; 2.926514e-01 -1.578584e-06 2.262831e-01 2.730007e-01 0.000485 0.000060 True native_MD 5 87 94 +CD2_AB42_10 CA_AB42_11 1 0.000000e+00 1.327457e-05 ; 3.494728e-01 -1.327457e-05 1.955503e-01 2.126188e-01 0.000485 0.000060 True native_MD 6 87 96 CD2_AB42_10 CB_AB42_11 1 1.362559e-03 3.924082e-06 ; 3.771932e-01 1.182803e-01 5.467312e-02 6.197252e-02 0.000485 0.002332 True native_MD 7 87 97 CD2_AB42_10 CG_AB42_11 1 9.364621e-04 1.817024e-06 ; 3.531656e-01 1.206590e-01 5.047978e-02 5.328778e-02 0.000485 0.002332 True native_MD 7 87 98 CD2_AB42_10 CD_AB42_11 1 1.543223e-03 4.367039e-06 ; 3.760911e-01 1.363359e-01 1.475984e-02 1.383018e-02 0.000485 0.003309 True native_MD 7 87 99 @@ -22191,8 +22191,8 @@ CD2_AB42_10 CA_AB42_12 1 1.707183e-03 7.378072e-06 ; 4.035932e-01 9.875461 CD2_AB42_10 CB_AB42_12 1 1.480847e-03 5.535732e-06 ; 3.939527e-01 9.903429e-02 4.159520e-02 6.950031e-02 0.000485 0.001933 True native_MD 7 87 107 CD2_AB42_10 CG1_AB42_12 1 1.017335e-03 1.656837e-06 ; 3.430067e-01 1.561667e-01 4.148928e-02 3.449200e-02 0.000485 0.005315 True native_MD 7 87 108 CD2_AB42_10 CG2_AB42_12 1 8.569682e-04 1.473242e-06 ; 3.461133e-01 1.246222e-01 3.255930e-02 6.957156e-02 0.000485 0.005315 True native_MD 7 87 109 -CD2_AB42_10 C_AB42_12 1 0.000000e+00 2.664484e-06 ; 3.057005e-01 -2.664484e-06 3.160712e-03 2.852615e-02 0.000485 0.003309 True native_MD 7 87 110 -CD2_AB42_10 O_AB42_12 1 0.000000e+00 8.586809e-07 ; 2.781726e-01 -8.586809e-07 3.556015e-03 4.193603e-02 0.000485 0.003309 True native_MD 7 87 111 +CD2_AB42_10 C_AB42_12 1 0.000000e+00 2.664437e-06 ; 3.057000e-01 -2.664437e-06 3.160712e-03 2.852615e-02 0.000485 0.003309 True native_MD 7 87 110 +CD2_AB42_10 O_AB42_12 1 0.000000e+00 8.586770e-07 ; 2.781725e-01 -8.586770e-07 3.556015e-03 4.193603e-02 0.000485 0.003309 True native_MD 7 87 111 CD2_AB42_10 N_AB42_13 1 7.246754e-04 1.478490e-06 ; 3.561332e-01 8.879914e-02 1.591346e-03 6.184968e-03 0.000485 0.003309 True native_MD 7 87 112 CD2_AB42_10 CA_AB42_13 1 2.606190e-03 1.615782e-05 ; 4.286105e-01 1.050919e-01 2.356037e-02 3.283949e-02 0.000485 0.001933 True native_MD 7 87 114 CD2_AB42_10 CB_AB42_13 1 1.062966e-03 2.236732e-06 ; 3.579720e-01 1.262889e-01 4.010484e-02 3.577152e-02 0.000485 0.002332 True native_MD 7 87 115 @@ -22409,9 +22409,9 @@ CD2_AB42_10 N_AB42_42 1 4.593279e-04 4.427599e-07 ; 3.142975e-01 1.191290 CD2_AB42_10 CA_AB42_42 1 2.120541e-03 7.109282e-06 ; 3.868683e-01 1.581276e-01 6.779782e-03 3.117813e-04 0.000485 0.001933 True native_MD 7 87 356 CD2_AB42_10 CB_AB42_42 1 9.541085e-04 1.432914e-06 ; 3.384052e-01 1.588238e-01 6.922507e-03 7.065777e-04 0.000485 0.005315 True native_MD 7 87 357 CD2_AB42_10 C_AB42_42 1 8.339930e-04 2.263812e-06 ; 3.734906e-01 7.681119e-02 5.948027e-04 2.942311e-04 0.000485 0.003309 True native_MD 7 87 358 -CE1_AB42_10 C_AB42_10 1 0.000000e+00 2.538140e-06 ; 3.044654e-01 -2.538140e-06 1.927968e-01 1.695418e-01 0.000485 0.000060 True native_MD 5 88 92 -CE1_AB42_10 O_AB42_10 1 0.000000e+00 8.160985e-07 ; 2.769960e-01 -8.160985e-07 7.959495e-02 6.648122e-02 0.000485 0.000060 True native_MD 6 88 93 -CE1_AB42_10 N_AB42_11 1 0.000000e+00 1.514447e-06 ; 2.916416e-01 -1.514447e-06 6.742658e-02 7.160302e-02 0.000485 0.000060 True native_MD 6 88 94 +CE1_AB42_10 C_AB42_10 1 0.000000e+00 2.538095e-06 ; 3.044650e-01 -2.538095e-06 1.927968e-01 1.695418e-01 0.000485 0.000060 True native_MD 5 88 92 +CE1_AB42_10 O_AB42_10 1 0.000000e+00 8.160948e-07 ; 2.769959e-01 -8.160948e-07 7.959495e-02 6.648122e-02 0.000485 0.000060 True native_MD 6 88 93 +CE1_AB42_10 N_AB42_11 1 0.000000e+00 1.514426e-06 ; 2.916413e-01 -1.514426e-06 6.742658e-02 7.160302e-02 0.000485 0.000060 True native_MD 6 88 94 CE1_AB42_10 CA_AB42_11 1 3.385178e-03 2.437790e-05 ; 4.394429e-01 1.175186e-01 9.519796e-02 9.148221e-02 0.000485 0.001933 True native_MD 7 88 96 CE1_AB42_10 CB_AB42_11 1 1.408368e-03 4.330434e-06 ; 3.813314e-01 1.145093e-01 2.514605e-02 3.190839e-02 0.000485 0.002332 True native_MD 7 88 97 CE1_AB42_10 CG_AB42_11 1 7.413775e-04 1.158816e-06 ; 3.406663e-01 1.185781e-01 3.101876e-02 3.484816e-02 0.000485 0.002332 True native_MD 7 88 98 @@ -22426,7 +22426,7 @@ CE1_AB42_10 CB_AB42_12 1 1.117361e-03 2.872150e-06 ; 3.701141e-01 1.086726 CE1_AB42_10 CG1_AB42_12 1 7.884423e-04 1.005100e-06 ; 3.292860e-01 1.546218e-01 3.389415e-02 2.951119e-02 0.000485 0.005315 True native_MD 7 88 108 CE1_AB42_10 CG2_AB42_12 1 6.931363e-04 8.769842e-07 ; 3.288735e-01 1.369574e-01 2.974926e-02 4.394563e-02 0.000485 0.005315 True native_MD 7 88 109 CE1_AB42_10 C_AB42_12 1 8.278516e-04 2.023442e-06 ; 3.670200e-01 8.467481e-02 5.717195e-03 2.513919e-02 0.000485 0.003309 True native_MD 7 88 110 -CE1_AB42_10 O_AB42_12 1 0.000000e+00 8.502180e-07 ; 2.779431e-01 -8.502180e-07 2.854498e-03 3.100049e-02 0.000485 0.003309 True native_MD 7 88 111 +CE1_AB42_10 O_AB42_12 1 0.000000e+00 8.502141e-07 ; 2.779430e-01 -8.502141e-07 2.854498e-03 3.100049e-02 0.000485 0.003309 True native_MD 7 88 111 CE1_AB42_10 N_AB42_13 1 7.200630e-04 1.405432e-06 ; 3.535140e-01 9.222976e-02 1.523275e-03 5.342745e-03 0.000485 0.003309 True native_MD 7 88 112 CE1_AB42_10 CA_AB42_13 1 2.234108e-03 1.232486e-05 ; 4.203519e-01 1.012433e-01 1.706489e-02 2.668929e-02 0.000485 0.001933 True native_MD 7 88 114 CE1_AB42_10 CB_AB42_13 1 7.431368e-04 1.075036e-06 ; 3.362991e-01 1.284264e-01 2.915805e-02 2.439597e-02 0.000485 0.002332 True native_MD 7 88 115 @@ -22644,9 +22644,9 @@ CE1_AB42_10 CB_AB42_42 1 8.896826e-04 1.179356e-06 ; 3.314375e-01 1.677897 CE1_AB42_10 C_AB42_42 1 8.193752e-04 1.383781e-06 ; 3.450887e-01 1.212937e-01 2.251630e-03 8.542141e-04 0.000485 0.003309 True native_MD 7 88 358 CE1_AB42_10 O1_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592e-01 1.840648e-03 3.367598e-04 0.000485 0.003309 True native_MD 7 88 359 CE1_AB42_10 O2_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592e-01 1.840648e-03 3.367598e-04 0.000485 0.003309 True native_MD 7 88 360 -CE2_AB42_10 C_AB42_10 1 0.000000e+00 2.538140e-06 ; 3.044654e-01 -2.538140e-06 1.927968e-01 1.695418e-01 0.000485 0.000060 True native_MD 5 89 92 -CE2_AB42_10 O_AB42_10 1 0.000000e+00 8.160985e-07 ; 2.769960e-01 -8.160985e-07 7.959495e-02 6.648122e-02 0.000485 0.000060 True native_MD 6 89 93 -CE2_AB42_10 N_AB42_11 1 0.000000e+00 1.514447e-06 ; 2.916416e-01 -1.514447e-06 6.742658e-02 7.160302e-02 0.000485 0.000060 True native_MD 6 89 94 +CE2_AB42_10 C_AB42_10 1 0.000000e+00 2.538095e-06 ; 3.044650e-01 -2.538095e-06 1.927968e-01 1.695418e-01 0.000485 0.000060 True native_MD 5 89 92 +CE2_AB42_10 O_AB42_10 1 0.000000e+00 8.160948e-07 ; 2.769959e-01 -8.160948e-07 7.959495e-02 6.648122e-02 0.000485 0.000060 True native_MD 6 89 93 +CE2_AB42_10 N_AB42_11 1 0.000000e+00 1.514426e-06 ; 2.916413e-01 -1.514426e-06 6.742658e-02 7.160302e-02 0.000485 0.000060 True native_MD 6 89 94 CE2_AB42_10 CA_AB42_11 1 3.385178e-03 2.437790e-05 ; 4.394429e-01 1.175186e-01 9.519796e-02 9.148221e-02 0.000485 0.001933 True native_MD 7 89 96 CE2_AB42_10 CB_AB42_11 1 1.408368e-03 4.330434e-06 ; 3.813314e-01 1.145093e-01 2.514605e-02 3.190839e-02 0.000485 0.002332 True native_MD 7 89 97 CE2_AB42_10 CG_AB42_11 1 7.413775e-04 1.158816e-06 ; 3.406663e-01 1.185781e-01 3.101876e-02 3.484816e-02 0.000485 0.002332 True native_MD 7 89 98 @@ -22661,7 +22661,7 @@ CE2_AB42_10 CB_AB42_12 1 1.117361e-03 2.872150e-06 ; 3.701141e-01 1.086726 CE2_AB42_10 CG1_AB42_12 1 7.884423e-04 1.005100e-06 ; 3.292860e-01 1.546218e-01 3.389415e-02 2.951119e-02 0.000485 0.005315 True native_MD 7 89 108 CE2_AB42_10 CG2_AB42_12 1 6.931363e-04 8.769842e-07 ; 3.288735e-01 1.369574e-01 2.974926e-02 4.394563e-02 0.000485 0.005315 True native_MD 7 89 109 CE2_AB42_10 C_AB42_12 1 8.278516e-04 2.023442e-06 ; 3.670200e-01 8.467481e-02 5.717195e-03 2.513919e-02 0.000485 0.003309 True native_MD 7 89 110 -CE2_AB42_10 O_AB42_12 1 0.000000e+00 8.502180e-07 ; 2.779431e-01 -8.502180e-07 2.854498e-03 3.100049e-02 0.000485 0.003309 True native_MD 7 89 111 +CE2_AB42_10 O_AB42_12 1 0.000000e+00 8.502141e-07 ; 2.779430e-01 -8.502141e-07 2.854498e-03 3.100049e-02 0.000485 0.003309 True native_MD 7 89 111 CE2_AB42_10 N_AB42_13 1 7.200630e-04 1.405432e-06 ; 3.535140e-01 9.222976e-02 1.523275e-03 5.342745e-03 0.000485 0.003309 True native_MD 7 89 112 CE2_AB42_10 CA_AB42_13 1 2.234108e-03 1.232486e-05 ; 4.203519e-01 1.012433e-01 1.706489e-02 2.668929e-02 0.000485 0.001933 True native_MD 7 89 114 CE2_AB42_10 CB_AB42_13 1 7.431368e-04 1.075036e-06 ; 3.362991e-01 1.284264e-01 2.915805e-02 2.439597e-02 0.000485 0.002332 True native_MD 7 89 115 @@ -22879,7 +22879,7 @@ CE2_AB42_10 CB_AB42_42 1 8.896826e-04 1.179356e-06 ; 3.314375e-01 1.677897 CE2_AB42_10 C_AB42_42 1 8.193752e-04 1.383781e-06 ; 3.450887e-01 1.212937e-01 2.251630e-03 8.542141e-04 0.000485 0.003309 True native_MD 7 89 358 CE2_AB42_10 O1_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592e-01 1.840648e-03 3.367598e-04 0.000485 0.003309 True native_MD 7 89 359 CE2_AB42_10 O2_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592e-01 1.840648e-03 3.367598e-04 0.000485 0.003309 True native_MD 7 89 360 - CZ_AB42_10 C_AB42_10 1 0.000000e+00 2.609296e-06 ; 3.051677e-01 -2.609296e-06 1.602522e-02 2.015271e-02 0.000485 0.000060 True native_MD 6 90 92 + CZ_AB42_10 C_AB42_10 1 0.000000e+00 2.609249e-06 ; 3.051673e-01 -2.609249e-06 1.602522e-02 2.015271e-02 0.000485 0.000060 True native_MD 6 90 92 CZ_AB42_10 O_AB42_10 1 1.714194e-03 5.912418e-06 ; 3.887027e-01 1.242495e-01 1.128832e-02 1.518696e-02 0.000485 0.003309 True native_MD 7 90 93 CZ_AB42_10 N_AB42_11 1 2.111037e-03 8.287603e-06 ; 3.971814e-01 1.344320e-01 1.886875e-02 1.871720e-02 0.000485 0.003309 True native_MD 7 90 94 CZ_AB42_10 CA_AB42_11 1 4.895224e-03 4.905960e-05 ; 4.643284e-01 1.221128e-01 4.761714e-02 3.988075e-02 0.000485 0.001933 True native_MD 7 90 96 @@ -22896,7 +22896,7 @@ CE2_AB42_10 O2_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592 CZ_AB42_10 CG1_AB42_12 1 9.181745e-04 1.319092e-06 ; 3.359116e-01 1.597774e-01 3.017588e-02 2.251726e-02 0.000485 0.005315 True native_MD 7 90 108 CZ_AB42_10 CG2_AB42_12 1 8.167974e-04 1.176590e-06 ; 3.360613e-01 1.417567e-01 2.780030e-02 3.557244e-02 0.000485 0.005315 True native_MD 7 90 109 CZ_AB42_10 C_AB42_12 1 1.631441e-03 7.126052e-06 ; 4.043085e-01 9.337571e-02 4.966403e-03 1.683168e-02 0.000485 0.003309 True native_MD 7 90 110 - CZ_AB42_10 O_AB42_12 1 0.000000e+00 8.462260e-07 ; 2.778341e-01 -8.462260e-07 2.871972e-03 2.619061e-02 0.000485 0.003309 True native_MD 7 90 111 + CZ_AB42_10 O_AB42_12 1 0.000000e+00 8.462221e-07 ; 2.778340e-01 -8.462221e-07 2.871972e-03 2.619061e-02 0.000485 0.003309 True native_MD 7 90 111 CZ_AB42_10 N_AB42_13 1 7.663858e-04 1.417909e-06 ; 3.503753e-01 1.035587e-01 1.324344e-03 3.231764e-03 0.000485 0.003309 True native_MD 7 90 112 CZ_AB42_10 CA_AB42_13 1 2.202078e-03 1.174089e-05 ; 4.179696e-01 1.032535e-01 1.445264e-02 2.128410e-02 0.000485 0.001933 True native_MD 7 90 114 CZ_AB42_10 CB_AB42_13 1 8.722253e-04 1.410247e-06 ; 3.425924e-01 1.348659e-01 2.619189e-02 1.807319e-02 0.000485 0.002332 True native_MD 7 90 115 @@ -23114,8 +23114,8 @@ CE2_AB42_10 O2_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592 CZ_AB42_10 O1_AB42_42 1 3.852771e-04 3.019159e-07 ; 3.036352e-01 1.229137e-01 2.363482e-03 2.217878e-04 0.000485 0.003309 True native_MD 7 90 359 CZ_AB42_10 O2_AB42_42 1 3.852771e-04 3.019159e-07 ; 3.036352e-01 1.229137e-01 2.363482e-03 2.217878e-04 0.000485 0.003309 True native_MD 7 90 360 OH_AB42_10 H_AB42_11 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 95 - OH_AB42_10 CB_AB42_11 1 0.000000e+00 2.782581e-06 ; 3.068073e-01 -2.782581e-06 1.860774e-03 1.528476e-03 0.000485 0.000060 True native_MD 7 91 97 - OH_AB42_10 CG_AB42_11 1 0.000000e+00 2.780117e-06 ; 3.067846e-01 -2.780117e-06 9.344494e-03 8.127055e-03 0.000485 0.000060 True native_MD 7 91 98 + OH_AB42_10 CB_AB42_11 1 0.000000e+00 2.782539e-06 ; 3.068069e-01 -2.782539e-06 1.860774e-03 1.528476e-03 0.000485 0.000060 True native_MD 7 91 97 + OH_AB42_10 CG_AB42_11 1 0.000000e+00 2.780075e-06 ; 3.067842e-01 -2.780075e-06 9.344494e-03 8.127055e-03 0.000485 0.000060 True native_MD 7 91 98 OH_AB42_10 CD_AB42_11 1 7.593417e-04 1.303395e-06 ; 3.460242e-01 1.105958e-01 3.699580e-03 4.901859e-03 0.000485 0.002166 True native_MD 7 91 99 OH_AB42_10 OE1_AB42_11 1 2.519830e-04 2.238047e-07 ; 3.100390e-01 7.092730e-02 7.845512e-04 3.407233e-03 0.000485 0.002166 True native_MD 7 91 100 OH_AB42_10 OE2_AB42_11 1 2.519830e-04 2.238047e-07 ; 3.100390e-01 7.092730e-02 7.845512e-04 3.407233e-03 0.000485 0.002166 True native_MD 7 91 101 @@ -23124,15 +23124,15 @@ CE2_AB42_10 O2_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592 OH_AB42_10 N_AB42_12 1 9.866477e-04 2.695862e-06 ; 3.739004e-01 9.027482e-02 8.899286e-04 3.461185e-04 0.000485 0.002166 True native_MD 7 91 104 OH_AB42_10 H_AB42_12 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 105 OH_AB42_10 CA_AB42_12 1 1.034694e-03 2.320937e-06 ; 3.618056e-01 1.153190e-01 1.673453e-02 1.189865e-02 0.000485 0.001339 True native_MD 7 91 106 - OH_AB42_10 CB_AB42_12 1 0.000000e+00 5.721309e-06 ; 3.258014e-01 -5.721309e-06 2.106535e-02 1.854970e-02 0.000485 0.000060 True native_MD 7 91 107 - OH_AB42_10 CG1_AB42_12 1 0.000000e+00 2.064412e-06 ; 2.992688e-01 -2.064412e-06 1.803698e-02 1.201181e-02 0.000485 0.000060 True native_MD 7 91 108 - OH_AB42_10 CG2_AB42_12 1 0.000000e+00 2.078829e-06 ; 2.994424e-01 -2.078829e-06 1.633353e-02 1.724980e-02 0.000485 0.000060 True native_MD 7 91 109 + OH_AB42_10 CB_AB42_12 1 0.000000e+00 5.721290e-06 ; 3.258013e-01 -5.721290e-06 2.106535e-02 1.854970e-02 0.000485 0.000060 True native_MD 7 91 107 + OH_AB42_10 CG1_AB42_12 1 0.000000e+00 2.064389e-06 ; 2.992685e-01 -2.064389e-06 1.803698e-02 1.201181e-02 0.000485 0.000060 True native_MD 7 91 108 + OH_AB42_10 CG2_AB42_12 1 0.000000e+00 2.078806e-06 ; 2.994421e-01 -2.078806e-06 1.633353e-02 1.724980e-02 0.000485 0.000060 True native_MD 7 91 109 OH_AB42_10 C_AB42_12 1 9.732839e-04 2.229260e-06 ; 3.630671e-01 1.062328e-01 3.820285e-03 5.767788e-03 0.000485 0.002166 True native_MD 7 91 110 OH_AB42_10 O_AB42_12 1 2.527999e-04 2.255775e-07 ; 3.102795e-01 7.082689e-02 2.694691e-03 1.173795e-02 0.000485 0.002166 True native_MD 7 91 111 OH_AB42_10 N_AB42_13 1 1.994942e-04 1.024034e-07 ; 2.829637e-01 9.715968e-02 1.093542e-03 2.005645e-03 0.000485 0.002166 True native_MD 7 91 112 OH_AB42_10 H_AB42_13 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 113 - OH_AB42_10 CA_AB42_13 1 0.000000e+00 5.791966e-06 ; 3.261348e-01 -5.791966e-06 4.468814e-03 1.427191e-02 0.000485 0.001339 True native_MD 7 91 114 - OH_AB42_10 CB_AB42_13 1 0.000000e+00 2.772026e-06 ; 3.067101e-01 -2.772026e-06 1.514512e-02 1.102095e-02 0.000485 0.000060 True native_MD 7 91 115 + OH_AB42_10 CA_AB42_13 1 0.000000e+00 5.791947e-06 ; 3.261347e-01 -5.791947e-06 4.468814e-03 1.427191e-02 0.000485 0.001339 True native_MD 7 91 114 + OH_AB42_10 CB_AB42_13 1 0.000000e+00 2.771985e-06 ; 3.067097e-01 -2.771985e-06 1.514512e-02 1.102095e-02 0.000485 0.000060 True native_MD 7 91 115 OH_AB42_10 CG_AB42_13 1 7.170019e-04 1.084102e-06 ; 3.387856e-01 1.185524e-01 8.155963e-03 8.516751e-03 0.000485 0.002166 True native_MD 7 91 116 OH_AB42_10 ND1_AB42_13 1 1.528903e-04 7.066501e-08 ; 2.780593e-01 8.269810e-02 3.276647e-03 1.000515e-02 0.000485 0.002166 True native_MD 7 91 117 OH_AB42_10 CD2_AB42_13 1 3.268900e-04 2.056699e-07 ; 2.927262e-01 1.298890e-01 1.063307e-02 1.208382e-02 0.000485 0.003309 True native_MD 7 91 118 @@ -23143,7 +23143,7 @@ CE2_AB42_10 O2_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592 OH_AB42_10 N_AB42_14 1 1.761669e-04 7.659758e-08 ; 2.752423e-01 1.012916e-01 1.763595e-03 3.087003e-03 0.000485 0.002166 True native_MD 7 91 123 OH_AB42_10 H_AB42_14 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 124 OH_AB42_10 CA_AB42_14 1 1.582120e-03 4.546857e-06 ; 3.770613e-01 1.376283e-01 2.279396e-02 8.312985e-03 0.000485 0.001339 True native_MD 7 91 125 - OH_AB42_10 CB_AB42_14 1 0.000000e+00 2.695687e-06 ; 3.059972e-01 -2.695687e-06 4.070816e-02 9.158384e-03 0.000485 0.000060 True native_MD 7 91 126 + OH_AB42_10 CB_AB42_14 1 0.000000e+00 2.695646e-06 ; 3.059968e-01 -2.695646e-06 4.070816e-02 9.158384e-03 0.000485 0.000060 True native_MD 7 91 126 OH_AB42_10 CG_AB42_14 1 8.315798e-04 1.018057e-06 ; 3.270730e-01 1.698150e-01 2.884081e-02 6.494775e-03 0.000485 0.002166 True native_MD 7 91 127 OH_AB42_10 ND1_AB42_14 1 2.873280e-04 1.515363e-07 ; 2.842430e-01 1.362006e-01 1.443176e-02 8.887074e-03 0.000485 0.002166 True native_MD 7 91 128 OH_AB42_10 CD2_AB42_14 1 4.559097e-04 2.824839e-07 ; 2.919796e-01 1.839518e-01 4.028177e-02 9.078592e-03 0.000485 0.003309 True native_MD 7 91 129 @@ -23154,8 +23154,8 @@ CE2_AB42_10 O2_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592 OH_AB42_10 N_AB42_15 1 2.810835e-04 1.279275e-07 ; 2.773457e-01 1.543999e-01 7.022826e-03 2.508534e-03 0.000485 0.002166 True native_MD 7 91 134 OH_AB42_10 H_AB42_15 1 7.951298e-06 1.754923e-10 ; 1.674827e-01 9.006539e-02 8.843687e-04 6.378895e-04 0.000485 0.005316 True native_MD 7 91 135 OH_AB42_10 CA_AB42_15 1 9.953869e-04 1.667281e-06 ; 3.446166e-01 1.485645e-01 3.286566e-02 8.640623e-03 0.000485 0.001339 True native_MD 7 91 136 - OH_AB42_10 CB_AB42_15 1 0.000000e+00 2.738999e-06 ; 3.064039e-01 -2.738999e-06 2.423060e-02 8.241264e-03 0.000485 0.000060 True native_MD 7 91 137 - OH_AB42_10 CG_AB42_15 1 0.000000e+00 2.736770e-06 ; 3.063831e-01 -2.736770e-06 2.672876e-02 9.938537e-03 0.000485 0.000060 True native_MD 7 91 138 + OH_AB42_10 CB_AB42_15 1 0.000000e+00 2.738958e-06 ; 3.064035e-01 -2.738958e-06 2.423060e-02 8.241264e-03 0.000485 0.000060 True native_MD 7 91 137 + OH_AB42_10 CG_AB42_15 1 0.000000e+00 2.736729e-06 ; 3.063828e-01 -2.736729e-06 2.672876e-02 9.938537e-03 0.000485 0.000060 True native_MD 7 91 138 OH_AB42_10 CD_AB42_15 1 7.058646e-04 8.383363e-07 ; 3.254239e-01 1.485814e-01 2.229436e-02 9.478000e-03 0.000485 0.002166 True native_MD 7 91 139 OH_AB42_10 OE1_AB42_15 1 1.102216e-04 2.231479e-08 ; 2.423191e-01 1.361071e-01 1.282804e-02 7.921693e-03 0.000485 0.002166 True native_MD 7 91 140 OH_AB42_10 NE2_AB42_15 1 2.052394e-04 7.300138e-08 ; 2.661818e-01 1.442548e-01 2.303796e-02 1.114836e-02 0.000485 0.002166 True native_MD 7 91 141 @@ -23164,34 +23164,34 @@ CE2_AB42_10 O2_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592 OH_AB42_10 N_AB42_16 1 3.042839e-04 1.256556e-07 ; 2.728876e-01 1.842111e-01 1.479838e-02 1.856764e-03 0.000485 0.002166 True native_MD 7 91 144 OH_AB42_10 H_AB42_16 1 1.433793e-05 3.352834e-10 ; 1.691042e-01 1.532853e-01 5.865186e-03 7.503340e-04 0.000485 0.005316 True native_MD 7 91 145 OH_AB42_10 CA_AB42_16 1 1.018759e-03 1.558454e-06 ; 3.394458e-01 1.664904e-01 4.017772e-02 6.177484e-03 0.000485 0.001339 True native_MD 7 91 146 - OH_AB42_10 CB_AB42_16 1 0.000000e+00 2.713946e-06 ; 3.061694e-01 -2.713946e-06 3.023292e-02 5.242831e-03 0.000485 0.000060 True native_MD 7 91 147 - OH_AB42_10 CG_AB42_16 1 0.000000e+00 2.721170e-06 ; 3.062372e-01 -2.721170e-06 2.860949e-02 6.214937e-03 0.000485 0.000060 True native_MD 7 91 148 - OH_AB42_10 CD_AB42_16 1 0.000000e+00 2.733317e-06 ; 3.063509e-01 -2.733317e-06 2.505888e-02 7.028074e-03 0.000485 0.000060 True native_MD 7 91 149 - OH_AB42_10 CE_AB42_16 1 0.000000e+00 2.751456e-06 ; 3.065198e-01 -2.751456e-06 1.942705e-02 7.913069e-03 0.000485 0.000060 True native_MD 7 91 150 + OH_AB42_10 CB_AB42_16 1 0.000000e+00 2.713905e-06 ; 3.061690e-01 -2.713905e-06 3.023292e-02 5.242831e-03 0.000485 0.000060 True native_MD 7 91 147 + OH_AB42_10 CG_AB42_16 1 0.000000e+00 2.721130e-06 ; 3.062368e-01 -2.721130e-06 2.860949e-02 6.214937e-03 0.000485 0.000060 True native_MD 7 91 148 + OH_AB42_10 CD_AB42_16 1 0.000000e+00 2.733276e-06 ; 3.063505e-01 -2.733276e-06 2.505888e-02 7.028074e-03 0.000485 0.000060 True native_MD 7 91 149 + OH_AB42_10 CE_AB42_16 1 0.000000e+00 2.751415e-06 ; 3.065194e-01 -2.751415e-06 1.942705e-02 7.913069e-03 0.000485 0.000060 True native_MD 7 91 150 OH_AB42_10 NZ_AB42_16 1 1.993110e-04 7.510487e-08 ; 2.687547e-01 1.322314e-01 7.139976e-03 4.951325e-03 0.000485 0.002166 True native_MD 7 91 151 OH_AB42_10 C_AB42_16 1 8.823666e-04 9.925238e-07 ; 3.224893e-01 1.961089e-01 2.112735e-02 1.778942e-03 0.000485 0.002166 True native_MD 7 91 152 OH_AB42_10 O_AB42_16 1 1.284483e-04 2.310674e-08 ; 2.375938e-01 1.785081e-01 1.247651e-02 2.082890e-03 0.000485 0.002166 True native_MD 7 91 153 OH_AB42_10 N_AB42_17 1 2.893833e-04 1.123335e-07 ; 2.700884e-01 1.863708e-01 1.578636e-02 1.342677e-03 0.000485 0.002166 True native_MD 7 91 154 OH_AB42_10 H_AB42_17 1 1.144775e-05 1.895729e-10 ; 1.596526e-01 1.728239e-01 1.052491e-02 4.510900e-04 0.000485 0.005316 True native_MD 7 91 155 OH_AB42_10 CA_AB42_17 1 1.204637e-03 2.178543e-06 ; 3.490479e-01 1.665275e-01 2.406674e-02 3.696244e-03 0.000485 0.001339 True native_MD 7 91 156 - OH_AB42_10 CB_AB42_17 1 0.000000e+00 2.741352e-06 ; 3.064259e-01 -2.741352e-06 1.865776e-02 3.513740e-03 0.000485 0.000060 True native_MD 7 91 157 - OH_AB42_10 CG_AB42_17 1 0.000000e+00 5.604049e-06 ; 3.252397e-01 -5.604049e-06 2.981662e-02 6.857316e-03 0.000485 0.000060 True native_MD 7 91 158 - OH_AB42_10 CD1_AB42_17 1 0.000000e+00 2.041227e-06 ; 2.989872e-01 -2.041227e-06 2.373606e-02 6.547625e-03 0.000485 0.000060 True native_MD 7 91 159 - OH_AB42_10 CD2_AB42_17 1 0.000000e+00 2.047342e-06 ; 2.990617e-01 -2.047342e-06 1.952558e-02 5.281264e-03 0.000485 0.000060 True native_MD 7 91 160 + OH_AB42_10 CB_AB42_17 1 0.000000e+00 2.741311e-06 ; 3.064255e-01 -2.741311e-06 1.865776e-02 3.513740e-03 0.000485 0.000060 True native_MD 7 91 157 + OH_AB42_10 CG_AB42_17 1 0.000000e+00 5.604031e-06 ; 3.252396e-01 -5.604031e-06 2.981662e-02 6.857316e-03 0.000485 0.000060 True native_MD 7 91 158 + OH_AB42_10 CD1_AB42_17 1 0.000000e+00 2.041204e-06 ; 2.989869e-01 -2.041204e-06 2.373606e-02 6.547625e-03 0.000485 0.000060 True native_MD 7 91 159 + OH_AB42_10 CD2_AB42_17 1 0.000000e+00 2.047319e-06 ; 2.990615e-01 -2.047319e-06 1.952558e-02 5.281264e-03 0.000485 0.000060 True native_MD 7 91 160 OH_AB42_10 C_AB42_17 1 7.479894e-04 8.083689e-07 ; 3.203458e-01 1.730299e-01 1.104696e-02 2.259517e-03 0.000485 0.002166 True native_MD 7 91 161 OH_AB42_10 O_AB42_17 1 1.296935e-04 2.659000e-08 ; 2.428287e-01 1.581460e-01 9.292575e-03 2.967306e-03 0.000485 0.002166 True native_MD 7 91 162 OH_AB42_10 N_AB42_18 1 2.374153e-04 9.335423e-08 ; 2.706684e-01 1.509466e-01 5.468731e-03 8.757816e-04 0.000485 0.002166 True native_MD 7 91 163 OH_AB42_10 H_AB42_18 1 8.692955e-06 1.513266e-10 ; 1.609872e-01 1.248417e-01 2.503857e-03 2.234683e-04 0.000485 0.005316 True native_MD 7 91 164 OH_AB42_10 CA_AB42_18 1 7.632551e-04 1.094732e-06 ; 3.358198e-01 1.330368e-01 1.193914e-02 4.995563e-03 0.000485 0.001339 True native_MD 7 91 165 - OH_AB42_10 CB_AB42_18 1 0.000000e+00 5.676710e-06 ; 3.255890e-01 -5.676710e-06 1.634340e-02 6.052217e-03 0.000485 0.000060 True native_MD 7 91 166 - OH_AB42_10 CG1_AB42_18 1 0.000000e+00 2.068985e-06 ; 2.993239e-01 -2.068985e-06 9.041300e-03 5.217925e-03 0.000485 0.000060 True native_MD 7 91 167 - OH_AB42_10 CG2_AB42_18 1 0.000000e+00 2.052201e-06 ; 2.991208e-01 -2.052201e-06 1.728075e-02 5.376129e-03 0.000485 0.000060 True native_MD 7 91 168 + OH_AB42_10 CB_AB42_18 1 0.000000e+00 5.676691e-06 ; 3.255889e-01 -5.676691e-06 1.634340e-02 6.052217e-03 0.000485 0.000060 True native_MD 7 91 166 + OH_AB42_10 CG1_AB42_18 1 0.000000e+00 2.068962e-06 ; 2.993237e-01 -2.068962e-06 9.041300e-03 5.217925e-03 0.000485 0.000060 True native_MD 7 91 167 + OH_AB42_10 CG2_AB42_18 1 0.000000e+00 2.052178e-06 ; 2.991206e-01 -2.052178e-06 1.728075e-02 5.376129e-03 0.000485 0.000060 True native_MD 7 91 168 OH_AB42_10 C_AB42_18 1 8.767658e-04 1.371060e-06 ; 3.406921e-01 1.401687e-01 3.961036e-03 2.014874e-03 0.000485 0.002166 True native_MD 7 91 169 OH_AB42_10 O_AB42_18 1 1.293205e-04 3.123265e-08 ; 2.495496e-01 1.338645e-01 3.280018e-03 2.077632e-03 0.000485 0.002166 True native_MD 7 91 170 OH_AB42_10 N_AB42_19 1 2.251917e-04 9.579192e-08 ; 2.742391e-01 1.323476e-01 3.134448e-03 1.065969e-03 0.000485 0.002166 True native_MD 7 91 171 OH_AB42_10 H_AB42_19 1 1.091335e-05 2.854337e-10 ; 1.722891e-01 1.043160e-01 1.354703e-03 4.106153e-04 0.000485 0.005316 True native_MD 7 91 172 OH_AB42_10 CA_AB42_19 1 8.726560e-04 1.578627e-06 ; 3.490648e-01 1.205998e-01 7.830640e-03 4.753875e-03 0.000485 0.001339 True native_MD 7 91 173 - OH_AB42_10 CB_AB42_19 1 0.000000e+00 2.775178e-06 ; 3.067392e-01 -2.775178e-06 8.117823e-03 5.125944e-03 0.000485 0.000060 True native_MD 7 91 174 + OH_AB42_10 CB_AB42_19 1 0.000000e+00 2.775136e-06 ; 3.067388e-01 -2.775136e-06 8.117823e-03 5.125944e-03 0.000485 0.000060 True native_MD 7 91 174 OH_AB42_10 CG_AB42_19 1 7.657504e-04 1.000913e-06 ; 3.306624e-01 1.464598e-01 4.781589e-03 2.749357e-03 0.000485 0.003309 True native_MD 7 91 175 OH_AB42_10 CD1_AB42_19 1 4.654564e-04 3.476384e-07 ; 3.012137e-01 1.558010e-01 6.323789e-03 3.304530e-03 0.000485 0.003309 True native_MD 7 91 176 OH_AB42_10 CD2_AB42_19 1 4.654564e-04 3.476384e-07 ; 3.012137e-01 1.558010e-01 6.323789e-03 3.304530e-03 0.000485 0.003309 True native_MD 7 91 177 @@ -23203,7 +23203,7 @@ CE2_AB42_10 O2_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592 OH_AB42_10 N_AB42_20 1 1.415372e-04 4.063915e-08 ; 2.568497e-01 1.232357e-01 2.386365e-03 1.486161e-03 0.000485 0.002166 True native_MD 7 91 183 OH_AB42_10 H_AB42_20 1 5.070997e-06 6.030768e-11 ; 1.510822e-01 1.065992e-01 1.450502e-03 6.748417e-04 0.000485 0.005316 True native_MD 7 91 184 OH_AB42_10 CA_AB42_20 1 7.223754e-04 1.106086e-06 ; 3.394983e-01 1.179443e-01 7.268899e-03 4.777844e-03 0.000485 0.001339 True native_MD 7 91 185 - OH_AB42_10 CB_AB42_20 1 0.000000e+00 2.779262e-06 ; 3.067768e-01 -2.779262e-06 5.891217e-03 4.366548e-03 0.000485 0.000060 True native_MD 7 91 186 + OH_AB42_10 CB_AB42_20 1 0.000000e+00 2.779220e-06 ; 3.067764e-01 -2.779220e-06 5.891217e-03 4.366548e-03 0.000485 0.000060 True native_MD 7 91 186 OH_AB42_10 CG_AB42_20 1 7.421581e-04 1.063354e-06 ; 3.357610e-01 1.294955e-01 2.878020e-03 2.805161e-03 0.000485 0.003309 True native_MD 7 91 187 OH_AB42_10 CD1_AB42_20 1 5.950149e-04 6.055963e-07 ; 3.171582e-01 1.461546e-01 5.600370e-03 3.911685e-03 0.000485 0.003309 True native_MD 7 91 188 OH_AB42_10 CD2_AB42_20 1 5.950149e-04 6.055963e-07 ; 3.171582e-01 1.461546e-01 5.600370e-03 3.911685e-03 0.000485 0.003309 True native_MD 7 91 189 @@ -23215,14 +23215,14 @@ CE2_AB42_10 O2_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592 OH_AB42_10 N_AB42_21 1 2.193011e-04 9.180864e-08 ; 2.735104e-01 1.309599e-01 3.006942e-03 1.490868e-03 0.000485 0.002166 True native_MD 7 91 195 OH_AB42_10 H_AB42_21 1 1.049707e-05 2.530110e-10 ; 1.699594e-01 1.088771e-01 1.552826e-03 3.233180e-04 0.000485 0.005316 True native_MD 7 91 196 OH_AB42_10 CA_AB42_21 1 5.923565e-04 7.466154e-07 ; 3.286641e-01 1.174923e-01 7.977378e-03 5.314937e-03 0.000485 0.001339 True native_MD 7 91 197 - OH_AB42_10 CB_AB42_21 1 0.000000e+00 2.071473e-06 ; 2.993539e-01 -2.071473e-06 7.993258e-03 5.367831e-03 0.000485 0.000060 True native_MD 7 91 198 + OH_AB42_10 CB_AB42_21 1 0.000000e+00 2.071450e-06 ; 2.993536e-01 -2.071450e-06 7.993258e-03 5.367831e-03 0.000485 0.000060 True native_MD 7 91 198 OH_AB42_10 C_AB42_21 1 7.079054e-04 8.771687e-07 ; 3.277313e-01 1.428260e-01 4.288897e-03 1.222982e-03 0.000485 0.002166 True native_MD 7 91 199 OH_AB42_10 O_AB42_21 1 1.463873e-04 3.904759e-08 ; 2.537164e-01 1.371994e-01 3.624255e-03 1.226851e-03 0.000485 0.002166 True native_MD 7 91 200 OH_AB42_10 N_AB42_22 1 2.476248e-04 1.168498e-07 ; 2.790224e-01 1.311898e-01 3.027708e-03 7.572653e-04 0.000485 0.002166 True native_MD 7 91 201 OH_AB42_10 H_AB42_22 1 9.996951e-06 2.574517e-10 ; 1.718455e-01 9.704637e-02 1.089840e-03 2.731106e-04 0.000485 0.005316 True native_MD 7 91 202 OH_AB42_10 CA_AB42_22 1 6.553822e-04 8.120208e-07 ; 3.277269e-01 1.322398e-01 7.267406e-03 3.114219e-03 0.000485 0.001339 True native_MD 7 91 203 - OH_AB42_10 CB_AB42_22 1 0.000000e+00 2.767941e-06 ; 3.066724e-01 -2.767941e-06 8.194548e-03 2.602743e-03 0.000485 0.000060 True native_MD 7 91 204 - OH_AB42_10 CG_AB42_22 1 0.000000e+00 2.768210e-06 ; 3.066749e-01 -2.768210e-06 8.461659e-03 2.966510e-03 0.000485 0.000060 True native_MD 7 91 205 + OH_AB42_10 CB_AB42_22 1 0.000000e+00 2.767899e-06 ; 3.066720e-01 -2.767899e-06 8.194548e-03 2.602743e-03 0.000485 0.000060 True native_MD 7 91 204 + OH_AB42_10 CG_AB42_22 1 0.000000e+00 2.768169e-06 ; 3.066745e-01 -2.768169e-06 8.461659e-03 2.966510e-03 0.000485 0.000060 True native_MD 7 91 205 OH_AB42_10 CD_AB42_22 1 3.399586e-04 2.020961e-07 ; 2.899715e-01 1.429665e-01 5.583226e-03 2.807908e-03 0.000485 0.002166 True native_MD 7 91 206 OH_AB42_10 OE1_AB42_22 1 9.881547e-05 1.684063e-08 ; 2.354627e-01 1.449545e-01 4.570974e-03 2.138468e-03 0.000485 0.002166 True native_MD 7 91 207 OH_AB42_10 OE2_AB42_22 1 9.881547e-05 1.684063e-08 ; 2.354627e-01 1.449545e-01 4.570974e-03 2.138468e-03 0.000485 0.002166 True native_MD 7 91 208 @@ -23231,7 +23231,7 @@ CE2_AB42_10 O2_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592 OH_AB42_10 N_AB42_23 1 1.872399e-04 6.454374e-08 ; 2.647947e-01 1.357947e-01 3.475053e-03 1.163509e-03 0.000485 0.002166 True native_MD 7 91 211 OH_AB42_10 H_AB42_23 1 1.104380e-05 2.474890e-10 ; 1.679086e-01 1.232030e-01 2.384033e-03 4.126104e-04 0.000485 0.005316 True native_MD 7 91 212 OH_AB42_10 CA_AB42_23 1 7.143505e-04 1.011642e-06 ; 3.351089e-01 1.261060e-01 6.686202e-03 3.442454e-03 0.000485 0.001339 True native_MD 7 91 213 - OH_AB42_10 CB_AB42_23 1 0.000000e+00 2.773368e-06 ; 3.067225e-01 -2.773368e-06 6.776939e-03 3.135047e-03 0.000485 0.000060 True native_MD 7 91 214 + OH_AB42_10 CB_AB42_23 1 0.000000e+00 2.773327e-06 ; 3.067221e-01 -2.773327e-06 6.776939e-03 3.135047e-03 0.000485 0.000060 True native_MD 7 91 214 OH_AB42_10 CG_AB42_23 1 3.509802e-04 2.355343e-07 ; 2.958888e-01 1.307528e-01 4.344369e-03 3.148918e-03 0.000485 0.002166 True native_MD 7 91 215 OH_AB42_10 OD1_AB42_23 1 8.146615e-05 1.310318e-08 ; 2.332025e-01 1.266244e-01 2.641065e-03 2.160254e-03 0.000485 0.002166 True native_MD 7 91 216 OH_AB42_10 OD2_AB42_23 1 8.146615e-05 1.310318e-08 ; 2.332025e-01 1.266244e-01 2.641065e-03 2.160254e-03 0.000485 0.002166 True native_MD 7 91 217 @@ -23240,9 +23240,9 @@ CE2_AB42_10 O2_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592 OH_AB42_10 N_AB42_24 1 2.289569e-04 1.135654e-07 ; 2.813512e-01 1.153989e-01 1.887487e-03 8.615152e-04 0.000485 0.002166 True native_MD 7 91 220 OH_AB42_10 H_AB42_24 1 2.631500e-05 1.930671e-09 ; 2.046056e-01 8.966823e-02 8.739197e-04 1.961698e-04 0.000485 0.005316 True native_MD 7 91 221 OH_AB42_10 CA_AB42_24 1 1.210378e-03 2.426777e-06 ; 3.551006e-01 1.509219e-01 9.274120e-03 2.272149e-03 0.000485 0.001339 True native_MD 7 91 222 - OH_AB42_10 CB_AB42_24 1 0.000000e+00 5.667818e-06 ; 3.255465e-01 -5.667818e-06 1.464253e-02 2.801011e-03 0.000485 0.000060 True native_MD 7 91 223 - OH_AB42_10 CG1_AB42_24 1 0.000000e+00 2.057735e-06 ; 2.991880e-01 -2.057735e-06 1.144211e-02 2.201887e-03 0.000485 0.000060 True native_MD 7 91 224 - OH_AB42_10 CG2_AB42_24 1 0.000000e+00 2.057007e-06 ; 2.991791e-01 -2.057007e-06 1.193608e-02 2.345269e-03 0.000485 0.000060 True native_MD 7 91 225 + OH_AB42_10 CB_AB42_24 1 0.000000e+00 5.667799e-06 ; 3.255464e-01 -5.667799e-06 1.464253e-02 2.801011e-03 0.000485 0.000060 True native_MD 7 91 223 + OH_AB42_10 CG1_AB42_24 1 0.000000e+00 2.057712e-06 ; 2.991877e-01 -2.057712e-06 1.144211e-02 2.201887e-03 0.000485 0.000060 True native_MD 7 91 224 + OH_AB42_10 CG2_AB42_24 1 0.000000e+00 2.056984e-06 ; 2.991789e-01 -2.056984e-06 1.193608e-02 2.345269e-03 0.000485 0.000060 True native_MD 7 91 225 OH_AB42_10 C_AB42_24 1 8.228394e-04 1.160068e-06 ; 3.348585e-01 1.459106e-01 4.703647e-03 1.155620e-03 0.000485 0.002166 True native_MD 7 91 226 OH_AB42_10 O_AB42_24 1 9.995476e-05 1.815321e-08 ; 2.379715e-01 1.375921e-01 3.667098e-03 1.002323e-03 0.000485 0.002166 True native_MD 7 91 227 OH_AB42_10 N_AB42_25 1 2.526426e-04 1.084594e-07 ; 2.746587e-01 1.471249e-01 4.877719e-03 1.165012e-03 0.000485 0.002166 True native_MD 7 91 228 @@ -23253,14 +23253,14 @@ CE2_AB42_10 O2_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592 OH_AB42_10 N_AB42_26 1 3.123190e-04 1.896534e-07 ; 2.910005e-01 1.285808e-01 2.800305e-03 5.359288e-04 0.000485 0.002166 True native_MD 7 91 233 OH_AB42_10 H_AB42_26 1 1.618124e-05 7.977615e-10 ; 1.914889e-01 8.205223e-02 6.958072e-04 1.542975e-04 0.000485 0.005316 True native_MD 7 91 234 OH_AB42_10 CA_AB42_26 1 7.342882e-04 9.491937e-07 ; 3.300512e-01 1.420098e-01 6.749943e-03 2.159198e-03 0.000485 0.001339 True native_MD 7 91 235 - OH_AB42_10 CB_AB42_26 1 0.000000e+00 2.773836e-06 ; 3.067268e-01 -2.773836e-06 5.829979e-03 2.356081e-03 0.000485 0.000060 True native_MD 7 91 236 + OH_AB42_10 CB_AB42_26 1 0.000000e+00 2.773795e-06 ; 3.067264e-01 -2.773795e-06 5.829979e-03 2.356081e-03 0.000485 0.000060 True native_MD 7 91 236 OH_AB42_10 OG_AB42_26 1 1.218777e-04 2.749033e-08 ; 2.467228e-01 1.350853e-01 3.402065e-03 1.628470e-03 0.000485 0.002166 True native_MD 7 91 237 OH_AB42_10 C_AB42_26 1 5.399507e-04 5.723326e-07 ; 3.193124e-01 1.273503e-01 2.699058e-03 8.750328e-04 0.000485 0.002166 True native_MD 7 91 238 OH_AB42_10 O_AB42_26 1 1.270133e-04 3.463689e-08 ; 2.546527e-01 1.164392e-01 1.947176e-03 1.069622e-03 0.000485 0.002166 True native_MD 7 91 239 OH_AB42_10 N_AB42_27 1 2.645128e-04 1.579048e-07 ; 2.901737e-01 1.107741e-01 1.643528e-03 3.443986e-04 0.000485 0.002166 True native_MD 7 91 240 OH_AB42_10 H_AB42_27 1 1.704763e-05 1.026438e-09 ; 1.979755e-01 7.078399e-02 4.966374e-04 1.009056e-04 0.000485 0.005316 True native_MD 7 91 241 OH_AB42_10 CA_AB42_27 1 8.344126e-04 1.163263e-06 ; 3.342331e-01 1.496318e-01 6.785134e-03 1.727786e-03 0.000485 0.001339 True native_MD 7 91 242 - OH_AB42_10 CB_AB42_27 1 0.000000e+00 2.767065e-06 ; 3.066643e-01 -2.767065e-06 7.641492e-03 1.735010e-03 0.000485 0.000060 True native_MD 7 91 243 + OH_AB42_10 CB_AB42_27 1 0.000000e+00 2.767024e-06 ; 3.066640e-01 -2.767024e-06 7.641492e-03 1.735010e-03 0.000485 0.000060 True native_MD 7 91 243 OH_AB42_10 CG_AB42_27 1 8.208804e-04 9.931090e-07 ; 3.264271e-01 1.696301e-01 9.565533e-03 1.538743e-03 0.000485 0.002166 True native_MD 7 91 244 OH_AB42_10 OD1_AB42_27 1 1.353320e-04 2.874650e-08 ; 2.442666e-01 1.592780e-01 7.017240e-03 1.249982e-03 0.000485 0.002166 True native_MD 7 91 245 OH_AB42_10 ND2_AB42_27 1 2.585208e-04 9.781628e-08 ; 2.689383e-01 1.708126e-01 9.910095e-03 1.691306e-03 0.000485 0.002166 True native_MD 7 91 246 @@ -23269,10 +23269,10 @@ CE2_AB42_10 O2_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592 OH_AB42_10 N_AB42_28 1 3.160343e-04 2.036107e-07 ; 2.938852e-01 1.226331e-01 2.343719e-03 3.582486e-04 0.000485 0.002166 True native_MD 7 91 249 OH_AB42_10 H_AB42_28 1 1.782929e-05 9.371883e-10 ; 1.935451e-01 8.479717e-02 7.553776e-04 9.988066e-05 0.000485 0.005316 True native_MD 7 91 250 OH_AB42_10 CA_AB42_28 1 9.947279e-04 1.573279e-06 ; 3.413372e-01 1.572327e-01 7.381679e-03 1.497270e-03 0.000485 0.001339 True native_MD 7 91 251 - OH_AB42_10 CB_AB42_28 1 0.000000e+00 2.766165e-06 ; 3.066560e-01 -2.766165e-06 7.426132e-03 1.196292e-03 0.000485 0.000060 True native_MD 7 91 252 + OH_AB42_10 CB_AB42_28 1 0.000000e+00 2.766124e-06 ; 3.066556e-01 -2.766124e-06 7.426132e-03 1.196292e-03 0.000485 0.000060 True native_MD 7 91 252 OH_AB42_10 CG_AB42_28 1 4.591232e-04 7.367396e-07 ; 3.421612e-01 7.152937e-02 9.606673e-03 1.129613e-03 0.000485 0.000060 True native_MD 7 91 253 OH_AB42_10 CD_AB42_28 1 4.020595e-04 5.690671e-07 ; 3.350777e-01 7.101616e-02 1.188444e-02 1.419075e-03 0.000485 0.000060 True native_MD 7 91 254 - OH_AB42_10 CE_AB42_28 1 0.000000e+00 2.753337e-06 ; 3.065373e-01 -2.753337e-06 1.248998e-02 1.651713e-03 0.000485 0.000060 True native_MD 7 91 255 + OH_AB42_10 CE_AB42_28 1 0.000000e+00 2.753296e-06 ; 3.065369e-01 -2.753296e-06 1.248998e-02 1.651713e-03 0.000485 0.000060 True native_MD 7 91 255 OH_AB42_10 NZ_AB42_28 1 2.378369e-04 9.750631e-08 ; 2.725580e-01 1.450326e-01 4.581673e-03 1.271651e-03 0.000485 0.002166 True native_MD 7 91 256 OH_AB42_10 C_AB42_28 1 4.533771e-04 3.817753e-07 ; 3.072968e-01 1.346019e-01 3.353205e-03 6.549905e-04 0.000485 0.002166 True native_MD 7 91 257 OH_AB42_10 O_AB42_28 1 1.048210e-04 2.655774e-08 ; 2.515497e-01 1.034297e-01 1.319243e-03 7.752313e-04 0.000485 0.002166 True native_MD 7 91 258 @@ -23284,7 +23284,7 @@ CE2_AB42_10 O2_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592 OH_AB42_10 N_AB42_30 1 1.994588e-04 7.204942e-08 ; 2.668678e-01 1.380435e-01 3.716970e-03 2.498486e-04 0.000485 0.002166 True native_MD 7 91 264 OH_AB42_10 H_AB42_30 1 9.726569e-06 2.120430e-10 ; 1.671388e-01 1.115412e-01 1.681697e-03 8.168449e-05 0.000485 0.005316 True native_MD 7 91 265 OH_AB42_10 CA_AB42_30 1 9.497307e-04 1.489546e-06 ; 3.408596e-01 1.513865e-01 8.748814e-03 2.113859e-03 0.000485 0.001339 True native_MD 7 91 266 - OH_AB42_10 CB_AB42_30 1 0.000000e+00 2.063200e-06 ; 2.992541e-01 -2.063200e-06 8.361395e-03 1.752698e-03 0.000485 0.000060 True native_MD 7 91 267 + OH_AB42_10 CB_AB42_30 1 0.000000e+00 2.063177e-06 ; 2.992538e-01 -2.063177e-06 8.361395e-03 1.752698e-03 0.000485 0.000060 True native_MD 7 91 267 OH_AB42_10 C_AB42_30 1 7.215626e-04 9.462234e-07 ; 3.308415e-01 1.375607e-01 3.663648e-03 8.530151e-04 0.000485 0.002166 True native_MD 7 91 268 OH_AB42_10 O_AB42_30 1 1.126254e-04 2.402345e-08 ; 2.444368e-01 1.320009e-01 3.102097e-03 9.564866e-04 0.000485 0.002166 True native_MD 7 91 269 OH_AB42_10 N_AB42_31 1 2.402934e-04 1.197057e-07 ; 2.815543e-01 1.205894e-01 2.204669e-03 2.093352e-04 0.000485 0.002166 True native_MD 7 91 270 @@ -23378,22 +23378,22 @@ CE2_AB42_10 O2_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592 OH_AB42_10 C_AB42_42 1 4.200905e-04 2.872870e-07 ; 2.968216e-01 1.535712e-01 5.915575e-03 5.890170e-04 0.000485 0.002166 True native_MD 7 91 358 OH_AB42_10 O1_AB42_42 1 8.249714e-05 1.243408e-08 ; 2.306902e-01 1.368371e-01 3.585172e-03 3.597928e-04 0.000485 0.002166 True native_MD 7 91 359 OH_AB42_10 O2_AB42_42 1 8.249714e-05 1.243408e-08 ; 2.306902e-01 1.368371e-01 3.585172e-03 3.597928e-04 0.000485 0.002166 True native_MD 7 91 360 - C_AB42_10 CB_AB42_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 92 97 - C_AB42_10 CG_AB42_11 1 0.000000e+00 6.332715e-06 ; 3.285697e-01 -6.332715e-06 9.998157e-01 9.996189e-01 0.000485 0.000060 True native_MD 4 92 98 - C_AB42_10 CD_AB42_11 1 0.000000e+00 2.380189e-06 ; 3.028396e-01 -2.380189e-06 2.025239e-01 1.184850e-01 0.000485 0.000060 True native_MD 5 92 99 - C_AB42_10 OE1_AB42_11 1 0.000000e+00 6.416732e-07 ; 2.715008e-01 -6.416732e-07 5.692193e-02 1.549964e-02 0.000485 0.000060 True native_MD 6 92 100 - C_AB42_10 OE2_AB42_11 1 0.000000e+00 6.416732e-07 ; 2.715008e-01 -6.416732e-07 5.692193e-02 1.549964e-02 0.000485 0.000060 True native_MD 6 92 101 - C_AB42_10 O_AB42_11 1 0.000000e+00 7.745055e-07 ; 2.757912e-01 -7.745055e-07 9.103254e-01 8.469143e-01 0.000485 0.000060 True native_MD 4 92 103 - C_AB42_10 N_AB42_12 1 0.000000e+00 1.492761e-06 ; 2.912913e-01 -1.492761e-06 9.878789e-01 9.776760e-01 0.000485 0.000060 True native_MD 4 92 104 - C_AB42_10 CA_AB42_12 1 0.000000e+00 1.259896e-05 ; 3.479549e-01 -1.259896e-05 9.270456e-01 8.923454e-01 0.000485 0.000060 True native_MD 5 92 106 - C_AB42_10 CB_AB42_12 1 0.000000e+00 1.174402e-05 ; 3.459232e-01 -1.174402e-05 5.488270e-01 4.486232e-01 0.000485 0.000060 True native_MD 6 92 107 - C_AB42_10 CG1_AB42_12 1 0.000000e+00 3.952108e-06 ; 3.159105e-01 -3.952108e-06 2.710365e-01 1.072640e-01 0.000485 0.000060 True native_MD 7 92 108 - C_AB42_10 CG2_AB42_12 1 0.000000e+00 4.406492e-06 ; 3.187886e-01 -4.406492e-06 2.896063e-01 2.219771e-01 0.000485 0.000060 True native_MD 7 92 109 - C_AB42_10 C_AB42_12 1 0.000000e+00 2.651837e-06 ; 3.055793e-01 -2.651837e-06 2.321777e-01 2.526763e-01 0.000485 0.000060 True native_MD 6 92 110 - C_AB42_10 O_AB42_12 1 0.000000e+00 9.557892e-07 ; 2.806673e-01 -9.557892e-07 2.194294e-02 1.777534e-01 0.000485 0.002166 True native_MD 7 92 111 + C_AB42_10 CB_AB42_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 92 97 + C_AB42_10 CG_AB42_11 1 0.000000e+00 6.332608e-06 ; 3.285692e-01 -6.332608e-06 9.998157e-01 9.996189e-01 0.000485 0.000060 True native_MD 4 92 98 + C_AB42_10 CD_AB42_11 1 0.000000e+00 2.380147e-06 ; 3.028391e-01 -2.380147e-06 2.025239e-01 1.184850e-01 0.000485 0.000060 True native_MD 5 92 99 + C_AB42_10 OE1_AB42_11 1 0.000000e+00 6.416704e-07 ; 2.715007e-01 -6.416704e-07 5.692193e-02 1.549964e-02 0.000485 0.000060 True native_MD 6 92 100 + C_AB42_10 OE2_AB42_11 1 0.000000e+00 6.416704e-07 ; 2.715007e-01 -6.416704e-07 5.692193e-02 1.549964e-02 0.000485 0.000060 True native_MD 6 92 101 + C_AB42_10 O_AB42_11 1 0.000000e+00 7.745019e-07 ; 2.757911e-01 -7.745019e-07 9.103254e-01 8.469143e-01 0.000485 0.000060 True native_MD 4 92 103 + C_AB42_10 N_AB42_12 1 0.000000e+00 1.492740e-06 ; 2.912910e-01 -1.492740e-06 9.878789e-01 9.776760e-01 0.000485 0.000060 True native_MD 4 92 104 + C_AB42_10 CA_AB42_12 1 0.000000e+00 1.259890e-05 ; 3.479547e-01 -1.259890e-05 9.270456e-01 8.923454e-01 0.000485 0.000060 True native_MD 5 92 106 + C_AB42_10 CB_AB42_12 1 0.000000e+00 1.174396e-05 ; 3.459231e-01 -1.174396e-05 5.488270e-01 4.486232e-01 0.000485 0.000060 True native_MD 6 92 107 + C_AB42_10 CG1_AB42_12 1 0.000000e+00 3.952056e-06 ; 3.159102e-01 -3.952056e-06 2.710365e-01 1.072640e-01 0.000485 0.000060 True native_MD 7 92 108 + C_AB42_10 CG2_AB42_12 1 0.000000e+00 4.406435e-06 ; 3.187882e-01 -4.406435e-06 2.896063e-01 2.219771e-01 0.000485 0.000060 True native_MD 7 92 109 + C_AB42_10 C_AB42_12 1 0.000000e+00 2.651790e-06 ; 3.055788e-01 -2.651790e-06 2.321777e-01 2.526763e-01 0.000485 0.000060 True native_MD 6 92 110 + C_AB42_10 O_AB42_12 1 0.000000e+00 9.557848e-07 ; 2.806672e-01 -9.557848e-07 2.194294e-02 1.777534e-01 0.000485 0.002166 True native_MD 7 92 111 C_AB42_10 N_AB42_13 1 8.654336e-04 1.345776e-06 ; 3.403741e-01 1.391345e-01 2.448359e-01 1.380931e-01 0.000485 0.002166 True native_MD 7 92 112 C_AB42_10 CA_AB42_13 1 2.456344e-03 1.239329e-05 ; 4.141423e-01 1.217115e-01 2.492298e-01 1.463503e-01 0.000485 0.001339 True native_MD 7 92 114 - C_AB42_10 CB_AB42_13 1 0.000000e+00 5.725453e-06 ; 3.258211e-01 -5.725453e-06 1.965942e-01 1.005235e-01 0.000485 0.000060 True native_MD 7 92 115 + C_AB42_10 CB_AB42_13 1 0.000000e+00 5.725357e-06 ; 3.258206e-01 -5.725357e-06 1.965942e-01 1.005235e-01 0.000485 0.000060 True native_MD 7 92 115 C_AB42_10 CG_AB42_13 1 2.344751e-03 8.989840e-06 ; 3.956178e-01 1.528909e-01 7.990473e-02 2.985901e-02 0.000485 0.002166 True native_MD 7 92 116 C_AB42_10 ND1_AB42_13 1 1.113601e-03 2.222844e-06 ; 3.548378e-01 1.394730e-01 7.952386e-02 4.440146e-02 0.000485 0.002166 True native_MD 7 92 117 C_AB42_10 CD2_AB42_13 1 1.195458e-03 2.300766e-06 ; 3.526872e-01 1.552874e-01 9.498446e-02 5.047696e-02 0.000485 0.003309 True native_MD 7 92 118 @@ -23403,7 +23403,7 @@ CE2_AB42_10 O2_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592 C_AB42_10 O_AB42_13 1 5.354680e-04 4.863649e-07 ; 3.111989e-01 1.473821e-01 3.984253e-02 1.755727e-02 0.000485 0.002166 True native_MD 7 92 122 C_AB42_10 N_AB42_14 1 1.559291e-03 3.622099e-06 ; 3.639197e-01 1.678163e-01 1.071287e-01 2.561148e-02 0.000485 0.002166 True native_MD 7 92 123 C_AB42_10 CA_AB42_14 1 3.843473e-03 2.513859e-05 ; 4.324503e-01 1.469085e-01 1.408455e-01 3.890986e-02 0.000485 0.001339 True native_MD 7 92 125 - C_AB42_10 CB_AB42_14 1 0.000000e+00 5.405739e-06 ; 3.242646e-01 -5.405739e-06 1.885413e-01 4.199445e-02 0.000485 0.000060 True native_MD 7 92 126 + C_AB42_10 CB_AB42_14 1 0.000000e+00 5.405648e-06 ; 3.242642e-01 -5.405648e-06 1.885413e-01 4.199445e-02 0.000485 0.000060 True native_MD 7 92 126 C_AB42_10 CG_AB42_14 1 2.473935e-03 9.086178e-06 ; 3.927946e-01 1.683974e-01 1.036183e-01 2.434480e-02 0.000485 0.002166 True native_MD 7 92 127 C_AB42_10 ND1_AB42_14 1 1.045327e-03 1.760022e-06 ; 3.449141e-01 1.552124e-01 8.147851e-02 2.840420e-02 0.000485 0.002166 True native_MD 7 92 128 C_AB42_10 CD2_AB42_14 1 1.096538e-03 1.739906e-06 ; 3.415207e-01 1.727674e-01 9.975964e-02 3.142050e-02 0.000485 0.003309 True native_MD 7 92 129 @@ -23422,26 +23422,26 @@ CE2_AB42_10 O2_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592 C_AB42_10 O_AB42_15 1 5.624112e-04 5.155232e-07 ; 3.116729e-01 1.533910e-01 5.883754e-03 4.038871e-04 0.000485 0.002166 True native_MD 7 92 143 C_AB42_10 N_AB42_16 1 5.816693e-04 8.510761e-07 ; 3.369370e-01 9.938569e-02 1.168870e-03 2.379654e-04 0.000485 0.002166 True native_MD 7 92 144 C_AB42_10 CA_AB42_16 1 2.360443e-03 9.573821e-06 ; 3.993454e-01 1.454929e-01 4.645216e-03 1.265392e-03 0.000485 0.001339 True native_MD 7 92 146 - C_AB42_10 CB_AB42_16 1 0.000000e+00 6.311386e-06 ; 3.284773e-01 -6.311386e-06 4.754685e-03 1.190481e-03 0.000485 0.000060 True native_MD 7 92 147 - C_AB42_10 CG_AB42_16 1 0.000000e+00 6.308602e-06 ; 3.284653e-01 -6.308602e-06 6.239108e-03 2.235512e-03 0.000485 0.000060 True native_MD 7 92 148 - C_AB42_10 CD_AB42_16 1 0.000000e+00 6.312802e-06 ; 3.284835e-01 -6.312802e-06 6.655467e-03 3.314945e-03 0.000485 0.000060 True native_MD 7 92 149 - C_AB42_10 CE_AB42_16 1 0.000000e+00 6.309697e-06 ; 3.284700e-01 -6.309697e-06 8.099705e-03 4.268928e-03 0.000485 0.000060 True native_MD 7 92 150 + C_AB42_10 CB_AB42_16 1 0.000000e+00 6.311280e-06 ; 3.284769e-01 -6.311280e-06 4.754685e-03 1.190481e-03 0.000485 0.000060 True native_MD 7 92 147 + C_AB42_10 CG_AB42_16 1 0.000000e+00 6.308497e-06 ; 3.284648e-01 -6.308497e-06 6.239108e-03 2.235512e-03 0.000485 0.000060 True native_MD 7 92 148 + C_AB42_10 CD_AB42_16 1 0.000000e+00 6.312696e-06 ; 3.284830e-01 -6.312696e-06 6.655467e-03 3.314945e-03 0.000485 0.000060 True native_MD 7 92 149 + C_AB42_10 CE_AB42_16 1 0.000000e+00 6.309591e-06 ; 3.284695e-01 -6.309591e-06 8.099705e-03 4.268928e-03 0.000485 0.000060 True native_MD 7 92 150 C_AB42_10 NZ_AB42_16 1 1.183783e-03 2.509204e-06 ; 3.584077e-01 1.396203e-01 4.049514e-03 2.251056e-03 0.000485 0.002166 True native_MD 7 92 151 C_AB42_10 C_AB42_16 1 2.076018e-03 1.081945e-05 ; 4.163856e-01 9.958573e-02 1.175888e-03 5.804144e-05 0.000485 0.002166 True native_MD 7 92 152 C_AB42_10 O_AB42_16 1 3.923983e-04 4.118192e-07 ; 3.187841e-01 9.347330e-02 9.793203e-04 2.323498e-04 0.000485 0.002166 True native_MD 7 92 153 C_AB42_10 CA_AB42_17 1 2.262857e-03 1.098591e-05 ; 4.114936e-01 1.165248e-01 1.952168e-03 2.158814e-04 0.000485 0.001339 True native_MD 7 92 156 - C_AB42_10 CB_AB42_17 1 0.000000e+00 6.322012e-06 ; 3.285234e-01 -6.322012e-06 2.340659e-03 4.542060e-04 0.000485 0.000060 True native_MD 7 92 157 - C_AB42_10 CG_AB42_17 1 0.000000e+00 1.297430e-05 ; 3.488071e-01 -1.297430e-05 7.968501e-03 2.025352e-03 0.000485 0.000060 True native_MD 7 92 158 - C_AB42_10 CD1_AB42_17 1 0.000000e+00 4.704845e-06 ; 3.205338e-01 -4.704845e-06 7.390785e-03 2.890200e-03 0.000485 0.000060 True native_MD 7 92 159 - C_AB42_10 CD2_AB42_17 1 0.000000e+00 4.705449e-06 ; 3.205372e-01 -4.705449e-06 6.227791e-03 1.854875e-03 0.000485 0.000060 True native_MD 7 92 160 + C_AB42_10 CB_AB42_17 1 0.000000e+00 6.321906e-06 ; 3.285229e-01 -6.321906e-06 2.340659e-03 4.542060e-04 0.000485 0.000060 True native_MD 7 92 157 + C_AB42_10 CG_AB42_17 1 0.000000e+00 1.297423e-05 ; 3.488069e-01 -1.297423e-05 7.968501e-03 2.025352e-03 0.000485 0.000060 True native_MD 7 92 158 + C_AB42_10 CD1_AB42_17 1 0.000000e+00 4.704784e-06 ; 3.205334e-01 -4.704784e-06 7.390785e-03 2.890200e-03 0.000485 0.000060 True native_MD 7 92 159 + C_AB42_10 CD2_AB42_17 1 0.000000e+00 4.705387e-06 ; 3.205368e-01 -4.705387e-06 6.227791e-03 1.854875e-03 0.000485 0.000060 True native_MD 7 92 160 C_AB42_10 C_AB42_17 1 1.634469e-03 7.887038e-06 ; 4.110767e-01 8.467974e-02 7.527277e-04 1.940954e-05 0.000485 0.002166 True native_MD 7 92 161 C_AB42_10 O_AB42_17 1 7.362883e-04 1.690633e-06 ; 3.632176e-01 8.016529e-02 6.576050e-04 1.567977e-04 0.000485 0.002166 True native_MD 7 92 162 C_AB42_10 CA_AB42_18 1 4.182707e-03 4.434526e-05 ; 4.687036e-01 9.862971e-02 1.142723e-03 3.762854e-04 0.000485 0.001339 True native_MD 7 92 165 - C_AB42_10 CB_AB42_18 1 0.000000e+00 1.303640e-05 ; 3.489459e-01 -1.303640e-05 2.713296e-03 1.528560e-03 0.000485 0.000060 True native_MD 7 92 166 - C_AB42_10 CG1_AB42_18 1 0.000000e+00 4.722938e-06 ; 3.206363e-01 -4.722938e-06 2.507731e-03 1.835339e-03 0.000485 0.000060 True native_MD 7 92 167 - C_AB42_10 CG2_AB42_18 1 0.000000e+00 4.720030e-06 ; 3.206198e-01 -4.720030e-06 2.706916e-03 1.419139e-03 0.000485 0.000060 True native_MD 7 92 168 + C_AB42_10 CB_AB42_18 1 0.000000e+00 1.303633e-05 ; 3.489458e-01 -1.303633e-05 2.713296e-03 1.528560e-03 0.000485 0.000060 True native_MD 7 92 166 + C_AB42_10 CG1_AB42_18 1 0.000000e+00 4.722876e-06 ; 3.206359e-01 -4.722876e-06 2.507731e-03 1.835339e-03 0.000485 0.000060 True native_MD 7 92 167 + C_AB42_10 CG2_AB42_18 1 0.000000e+00 4.719968e-06 ; 3.206195e-01 -4.719968e-06 2.706916e-03 1.419139e-03 0.000485 0.000060 True native_MD 7 92 168 C_AB42_10 CA_AB42_19 1 3.723425e-03 3.951646e-05 ; 4.687838e-01 8.770961e-02 8.241686e-04 3.982328e-04 0.000485 0.001339 True native_MD 7 92 173 - C_AB42_10 CB_AB42_19 1 0.000000e+00 6.334372e-06 ; 3.285769e-01 -6.334372e-06 9.683917e-04 1.033270e-03 0.000485 0.000060 True native_MD 7 92 174 + C_AB42_10 CB_AB42_19 1 0.000000e+00 6.334266e-06 ; 3.285764e-01 -6.334266e-06 9.683917e-04 1.033270e-03 0.000485 0.000060 True native_MD 7 92 174 C_AB42_10 CG_AB42_19 1 8.021769e-04 1.832268e-06 ; 3.628996e-01 8.779937e-02 8.263854e-04 5.252431e-04 0.000485 0.003309 True native_MD 7 92 175 C_AB42_10 CD1_AB42_19 1 1.417013e-03 4.140487e-06 ; 3.781054e-01 1.212373e-01 2.247836e-03 9.582551e-04 0.000485 0.003309 True native_MD 7 92 176 C_AB42_10 CD2_AB42_19 1 1.417013e-03 4.140487e-06 ; 3.781054e-01 1.212373e-01 2.247836e-03 9.582551e-04 0.000485 0.003309 True native_MD 7 92 177 @@ -23451,21 +23451,21 @@ CE2_AB42_10 O2_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592 C_AB42_10 C_AB42_19 1 1.465038e-03 7.227927e-06 ; 4.125984e-01 7.423758e-02 5.507120e-04 2.762005e-06 0.000485 0.002166 True native_MD 7 92 181 C_AB42_10 O_AB42_19 1 3.987461e-04 4.682455e-07 ; 3.248101e-01 8.489057e-02 7.574917e-04 1.580904e-04 0.000485 0.002166 True native_MD 7 92 182 C_AB42_10 CA_AB42_20 1 3.572139e-03 3.935997e-05 ; 4.717237e-01 8.104794e-02 6.752063e-04 9.372538e-05 0.000485 0.001339 True native_MD 7 92 185 - C_AB42_10 CB_AB42_20 1 0.000000e+00 6.333235e-06 ; 3.285719e-01 -6.333235e-06 7.967925e-04 6.821734e-04 0.000485 0.000060 True native_MD 7 92 186 + C_AB42_10 CB_AB42_20 1 0.000000e+00 6.333129e-06 ; 3.285715e-01 -6.333129e-06 7.967925e-04 6.821734e-04 0.000485 0.000060 True native_MD 7 92 186 C_AB42_10 CD1_AB42_20 1 8.609378e-04 1.720087e-06 ; 3.548922e-01 1.077291e-01 1.500387e-03 1.240170e-03 0.000485 0.003309 True native_MD 7 92 188 C_AB42_10 CD2_AB42_20 1 8.609378e-04 1.720087e-06 ; 3.548922e-01 1.077291e-01 1.500387e-03 1.240170e-03 0.000485 0.003309 True native_MD 7 92 189 C_AB42_10 CE1_AB42_20 1 1.005931e-03 1.916544e-06 ; 3.520939e-01 1.319949e-01 3.101543e-03 2.322661e-03 0.000485 0.003309 True native_MD 7 92 190 C_AB42_10 CE2_AB42_20 1 1.005931e-03 1.916544e-06 ; 3.520939e-01 1.319949e-01 3.101543e-03 2.322661e-03 0.000485 0.003309 True native_MD 7 92 191 C_AB42_10 C_AB42_20 1 1.575121e-03 8.832625e-06 ; 4.214984e-01 7.022280e-02 4.883665e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 92 193 C_AB42_10 CA_AB42_21 1 1.723337e-03 7.912387e-06 ; 4.076833e-01 9.383673e-02 9.900295e-04 5.174284e-04 0.000485 0.001339 True native_MD 7 92 197 - C_AB42_10 CB_AB42_21 1 0.000000e+00 4.725124e-06 ; 3.206487e-01 -4.725124e-06 1.247527e-03 1.037717e-03 0.000485 0.000060 True native_MD 7 92 198 - C_AB42_10 CB_AB42_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 92 204 - C_AB42_10 CG_AB42_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 92 205 - C_AB42_10 CB_AB42_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 92 214 + C_AB42_10 CB_AB42_21 1 0.000000e+00 4.725062e-06 ; 3.206483e-01 -4.725062e-06 1.247527e-03 1.037717e-03 0.000485 0.000060 True native_MD 7 92 198 + C_AB42_10 CB_AB42_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 92 204 + C_AB42_10 CG_AB42_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 92 205 + C_AB42_10 CB_AB42_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 92 214 C_AB42_10 CA_AB42_24 1 2.171041e-03 1.422571e-05 ; 4.325812e-01 8.283276e-02 7.122514e-04 1.500307e-04 0.000485 0.001339 True native_MD 7 92 222 - C_AB42_10 CB_AB42_24 1 0.000000e+00 1.303603e-05 ; 3.489451e-01 -1.303603e-05 1.688478e-03 4.751570e-04 0.000485 0.000060 True native_MD 7 92 223 - C_AB42_10 CG1_AB42_24 1 0.000000e+00 4.719247e-06 ; 3.206154e-01 -4.719247e-06 1.821853e-03 3.684742e-04 0.000485 0.000060 True native_MD 7 92 224 - C_AB42_10 CG2_AB42_24 1 0.000000e+00 4.723916e-06 ; 3.206418e-01 -4.723916e-06 8.124096e-04 3.470447e-04 0.000485 0.000060 True native_MD 7 92 225 + C_AB42_10 CB_AB42_24 1 0.000000e+00 1.303596e-05 ; 3.489450e-01 -1.303596e-05 1.688478e-03 4.751570e-04 0.000485 0.000060 True native_MD 7 92 223 + C_AB42_10 CG1_AB42_24 1 0.000000e+00 4.719185e-06 ; 3.206151e-01 -4.719185e-06 1.821853e-03 3.684742e-04 0.000485 0.000060 True native_MD 7 92 224 + C_AB42_10 CG2_AB42_24 1 0.000000e+00 4.723855e-06 ; 3.206415e-01 -4.723855e-06 8.124096e-04 3.470447e-04 0.000485 0.000060 True native_MD 7 92 225 C_AB42_10 C_AB42_24 1 1.667253e-03 8.099157e-06 ; 4.115346e-01 8.580315e-02 7.784639e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 92 226 C_AB42_10 O_AB42_24 1 5.129179e-04 8.217644e-07 ; 3.420713e-01 8.003655e-02 6.550763e-04 2.090975e-08 0.000485 0.002166 True native_MD 7 92 227 C_AB42_10 N_AB42_25 1 7.386372e-04 1.622390e-06 ; 3.605405e-01 8.407115e-02 7.391426e-04 1.406217e-05 0.000485 0.002166 True native_MD 7 92 228 @@ -23473,7 +23473,7 @@ CE2_AB42_10 O2_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592 C_AB42_10 C_AB42_25 1 1.679589e-03 7.151043e-06 ; 4.025882e-01 9.862263e-02 1.142481e-03 1.391378e-05 0.000485 0.002166 True native_MD 7 92 231 C_AB42_10 O_AB42_25 1 6.707722e-04 1.410220e-06 ; 3.579195e-01 7.976332e-02 6.497418e-04 1.309686e-04 0.000485 0.002166 True native_MD 7 92 232 C_AB42_10 CA_AB42_26 1 2.095504e-03 1.439390e-05 ; 4.359951e-01 7.626733e-02 5.852004e-04 8.480364e-05 0.000485 0.001339 True native_MD 7 92 235 - C_AB42_10 CB_AB42_26 1 0.000000e+00 6.329849e-06 ; 3.285573e-01 -6.329849e-06 9.445836e-04 2.954219e-04 0.000485 0.000060 True native_MD 7 92 236 + C_AB42_10 CB_AB42_26 1 0.000000e+00 6.329743e-06 ; 3.285568e-01 -6.329743e-06 9.445836e-04 2.954219e-04 0.000485 0.000060 True native_MD 7 92 236 C_AB42_10 CA_AB42_27 1 1.216030e-03 4.030194e-06 ; 3.861271e-01 9.172817e-02 9.294882e-04 0.000000e+00 0.000485 0.001339 True native_MD 7 92 242 C_AB42_10 CB_AB42_27 1 1.371438e-03 4.479144e-06 ; 3.851854e-01 1.049777e-01 1.381796e-03 1.292158e-05 0.000485 0.000060 True native_MD 7 92 243 C_AB42_10 CG_AB42_27 1 8.219440e-04 2.104136e-06 ; 3.698611e-01 8.026951e-02 6.596590e-04 5.001980e-05 0.000485 0.002166 True native_MD 7 92 244 @@ -23505,7 +23505,7 @@ CE2_AB42_10 O2_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592 C_AB42_10 CA_AB42_32 1 2.479438e-03 1.240987e-05 ; 4.135890e-01 1.238452e-01 2.430289e-03 1.507298e-05 0.000485 0.001339 True native_MD 7 92 281 C_AB42_10 CB_AB42_32 1 3.436220e-03 2.146882e-05 ; 4.291619e-01 1.374972e-01 6.151764e-03 1.004604e-04 0.000485 0.000060 True native_MD 7 92 282 C_AB42_10 CG1_AB42_32 1 1.865712e-03 7.674817e-06 ; 4.002861e-01 1.133865e-01 5.602319e-03 1.882440e-04 0.000485 0.000060 True native_MD 7 92 283 - C_AB42_10 CG2_AB42_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 92 284 + C_AB42_10 CG2_AB42_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 92 284 C_AB42_10 CD_AB42_32 1 1.000587e-03 2.483498e-06 ; 3.679608e-01 1.007826e-01 8.298337e-03 4.065866e-04 0.000485 0.000060 True native_MD 7 92 285 C_AB42_10 C_AB42_32 1 2.332617e-03 1.211156e-05 ; 4.161272e-01 1.123121e-01 1.720945e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 92 286 C_AB42_10 O_AB42_32 1 5.398791e-04 8.901990e-07 ; 3.437150e-01 8.185512e-02 6.917151e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 92 287 @@ -23560,22 +23560,22 @@ CE2_AB42_10 O2_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592 C_AB42_10 CA_AB42_41 1 2.624181e-03 1.798362e-05 ; 4.358268e-01 9.573054e-02 1.047759e-03 1.108884e-04 0.000485 0.001339 True native_MD 7 92 347 C_AB42_10 CB_AB42_41 1 2.534825e-03 1.641863e-05 ; 4.317491e-01 9.783614e-02 2.053027e-03 1.098629e-04 0.000485 0.000060 True native_MD 7 92 348 C_AB42_10 CG1_AB42_41 1 1.684139e-03 5.686584e-06 ; 3.873280e-01 1.246937e-01 2.492792e-03 5.003496e-05 0.000485 0.000060 True native_MD 7 92 349 - C_AB42_10 CG2_AB42_41 1 0.000000e+00 4.716894e-06 ; 3.206021e-01 -4.716894e-06 2.242940e-03 2.917544e-04 0.000485 0.000060 True native_MD 7 92 350 + C_AB42_10 CG2_AB42_41 1 0.000000e+00 4.716833e-06 ; 3.206017e-01 -4.716833e-06 2.242940e-03 2.917544e-04 0.000485 0.000060 True native_MD 7 92 350 C_AB42_10 CD_AB42_41 1 7.518124e-04 1.981477e-06 ; 3.716607e-01 7.131319e-02 3.800479e-03 4.497847e-04 0.000485 0.000060 True native_MD 7 92 351 C_AB42_10 CA_AB42_42 1 2.114375e-03 1.543389e-05 ; 4.404354e-01 7.241506e-02 5.214803e-04 0.000000e+00 0.000485 0.001339 True native_MD 7 92 356 C_AB42_10 CB_AB42_42 1 9.210671e-04 2.800868e-06 ; 3.806276e-01 7.572335e-02 9.941423e-04 1.031092e-04 0.000485 0.000060 True native_MD 7 92 357 O_AB42_10 O_AB42_10 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 93 93 O_AB42_10 H_AB42_11 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 93 95 - O_AB42_10 CB_AB42_11 1 0.000000e+00 2.015626e-06 ; 2.986729e-01 -2.015626e-06 9.999950e-01 9.999802e-01 0.000485 0.000060 True native_MD 4 93 97 - O_AB42_10 CG_AB42_11 1 0.000000e+00 2.254677e-06 ; 3.014755e-01 -2.254677e-06 4.862401e-01 6.048221e-01 0.000485 0.000060 True native_MD 5 93 98 - O_AB42_10 CD_AB42_11 1 0.000000e+00 8.141404e-07 ; 2.769406e-01 -8.141404e-07 4.505071e-02 2.956900e-02 0.000485 0.000060 True native_MD 6 93 99 + O_AB42_10 CB_AB42_11 1 0.000000e+00 2.015619e-06 ; 2.986728e-01 -2.015619e-06 9.999950e-01 9.999802e-01 0.000485 0.000060 True native_MD 4 93 97 + O_AB42_10 CG_AB42_11 1 0.000000e+00 2.254668e-06 ; 3.014754e-01 -2.254668e-06 4.862401e-01 6.048221e-01 0.000485 0.000060 True native_MD 5 93 98 + O_AB42_10 CD_AB42_11 1 0.000000e+00 8.141366e-07 ; 2.769405e-01 -8.141366e-07 4.505071e-02 2.956900e-02 0.000485 0.000060 True native_MD 6 93 99 O_AB42_10 OE1_AB42_11 1 0.000000e+00 1.449297e-06 ; 2.905749e-01 -1.449297e-06 7.190340e-02 3.810147e-02 0.000485 0.000060 True native_MD 7 93 100 O_AB42_10 OE2_AB42_11 1 0.000000e+00 1.449297e-06 ; 2.905749e-01 -1.449297e-06 7.190340e-02 3.810147e-02 0.000485 0.000060 True native_MD 7 93 101 - O_AB42_10 C_AB42_11 1 0.000000e+00 8.214524e-07 ; 2.771470e-01 -8.214524e-07 9.998402e-01 9.932008e-01 0.000485 0.000060 True native_MD 4 93 102 + O_AB42_10 C_AB42_11 1 0.000000e+00 8.214487e-07 ; 2.771469e-01 -8.214487e-07 9.998402e-01 9.932008e-01 0.000485 0.000060 True native_MD 4 93 102 O_AB42_10 O_AB42_11 1 0.000000e+00 1.406325e-06 ; 2.898470e-01 -1.406325e-06 8.921139e-01 8.296638e-01 0.000485 0.000060 True native_MD 5 93 103 O_AB42_10 N_AB42_12 1 0.000000e+00 1.422909e-06 ; 2.901303e-01 -1.422909e-06 9.433336e-01 8.919395e-01 0.000485 0.000060 True native_MD 5 93 104 - O_AB42_10 H_AB42_12 1 0.000000e+00 1.295153e-08 ; 1.961199e-01 -1.295153e-08 3.425019e-01 1.772123e-01 0.000485 0.000060 True native_MD 6 93 105 - O_AB42_10 CA_AB42_12 1 0.000000e+00 3.547640e-06 ; 3.130809e-01 -3.547640e-06 7.405730e-01 5.947067e-01 0.000485 0.000060 True native_MD 6 93 106 + O_AB42_10 H_AB42_12 1 0.000000e+00 1.295174e-08 ; 1.961202e-01 -1.295174e-08 3.425019e-01 1.772123e-01 0.000485 0.000060 True native_MD 6 93 105 + O_AB42_10 CA_AB42_12 1 0.000000e+00 3.547668e-06 ; 3.130811e-01 -3.547668e-06 7.405730e-01 5.947067e-01 0.000485 0.000060 True native_MD 6 93 106 O_AB42_10 CB_AB42_12 1 1.739682e-03 5.944926e-06 ; 3.881022e-01 1.272721e-01 3.929130e-01 1.737206e-01 0.000485 0.001191 True native_MD 7 93 107 O_AB42_10 CG1_AB42_12 1 6.428841e-04 7.726614e-07 ; 3.260689e-01 1.337261e-01 2.419576e-01 8.818856e-02 0.000485 0.001191 True native_MD 7 93 108 O_AB42_10 CG2_AB42_12 1 6.030537e-04 7.110462e-07 ; 3.250301e-01 1.278657e-01 2.592292e-01 1.125958e-01 0.000485 0.001191 True native_MD 7 93 109 @@ -23806,20 +23806,20 @@ CE2_AB42_10 O2_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592 O_AB42_10 CB_AB42_42 1 4.213547e-04 4.716841e-07 ; 3.222309e-01 9.409887e-02 9.978267e-04 1.012242e-04 0.000485 0.001191 True native_MD 7 93 357 O_AB42_10 O1_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 93 359 O_AB42_10 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 93 360 - N_AB42_11 CB_AB42_11 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 97 - N_AB42_11 CG_AB42_11 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 98 - N_AB42_11 CD_AB42_11 1 0.000000e+00 1.433816e-06 ; 2.903150e-01 -1.433816e-06 8.114300e-01 7.621429e-01 0.000485 0.000060 True native_MD 4 94 99 + N_AB42_11 CB_AB42_11 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 97 + N_AB42_11 CG_AB42_11 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 98 + N_AB42_11 CD_AB42_11 1 0.000000e+00 1.433796e-06 ; 2.903147e-01 -1.433796e-06 8.114300e-01 7.621429e-01 0.000485 0.000060 True native_MD 4 94 99 N_AB42_11 OE1_AB42_11 1 0.000000e+00 1.393555e-06 ; 2.896268e-01 -1.393555e-06 2.516978e-01 1.807345e-01 0.000485 0.000060 True native_MD 5 94 100 N_AB42_11 OE2_AB42_11 1 0.000000e+00 1.393555e-06 ; 2.896268e-01 -1.393555e-06 2.516978e-01 1.807345e-01 0.000485 0.000060 True native_MD 5 94 101 - N_AB42_11 CA_AB42_12 1 0.000000e+00 7.574793e-06 ; 3.335103e-01 -7.574793e-06 9.999991e-01 9.999725e-01 0.000485 0.000060 True native_MD 4 94 106 - N_AB42_11 CB_AB42_12 1 0.000000e+00 8.207467e-06 ; 3.357472e-01 -8.207467e-06 5.861508e-01 6.696456e-01 0.000485 0.000060 True native_MD 5 94 107 - N_AB42_11 CG1_AB42_12 1 0.000000e+00 2.485628e-06 ; 3.039354e-01 -2.485628e-06 2.201028e-01 1.262986e-01 0.000485 0.000060 True native_MD 6 94 108 - N_AB42_11 CG2_AB42_12 1 0.000000e+00 2.981212e-06 ; 3.085752e-01 -2.981212e-06 2.316211e-01 3.184940e-01 0.000485 0.000060 True native_MD 6 94 109 - N_AB42_11 C_AB42_12 1 0.000000e+00 1.557072e-06 ; 2.923170e-01 -1.557072e-06 1.135035e-01 1.459425e-01 0.000485 0.000060 True native_MD 5 94 110 + N_AB42_11 CA_AB42_12 1 0.000000e+00 7.574781e-06 ; 3.335102e-01 -7.574781e-06 9.999991e-01 9.999725e-01 0.000485 0.000060 True native_MD 4 94 106 + N_AB42_11 CB_AB42_12 1 0.000000e+00 8.207455e-06 ; 3.357472e-01 -8.207455e-06 5.861508e-01 6.696456e-01 0.000485 0.000060 True native_MD 5 94 107 + N_AB42_11 CG1_AB42_12 1 0.000000e+00 2.485605e-06 ; 3.039352e-01 -2.485605e-06 2.201028e-01 1.262986e-01 0.000485 0.000060 True native_MD 6 94 108 + N_AB42_11 CG2_AB42_12 1 0.000000e+00 2.981184e-06 ; 3.085750e-01 -2.981184e-06 2.316211e-01 3.184940e-01 0.000485 0.000060 True native_MD 6 94 109 + N_AB42_11 C_AB42_12 1 0.000000e+00 1.557050e-06 ; 2.923166e-01 -1.557050e-06 1.135035e-01 1.459425e-01 0.000485 0.000060 True native_MD 5 94 110 N_AB42_11 O_AB42_12 1 0.000000e+00 1.794861e-06 ; 2.957996e-01 -1.794861e-06 4.079427e-02 2.373683e-01 0.000485 0.000060 True native_MD 6 94 111 - N_AB42_11 N_AB42_13 1 0.000000e+00 7.824949e-07 ; 2.760271e-01 -7.824949e-07 1.800234e-01 7.400295e-02 0.000485 0.000060 True native_MD 6 94 112 + N_AB42_11 N_AB42_13 1 0.000000e+00 7.824867e-07 ; 2.760269e-01 -7.824867e-07 1.800234e-01 7.400295e-02 0.000485 0.000060 True native_MD 6 94 112 N_AB42_11 CA_AB42_13 1 5.613169e-03 5.579399e-05 ; 4.636923e-01 1.411786e-01 1.112100e-01 3.646999e-02 0.000485 0.001339 True native_MD 7 94 114 - N_AB42_11 CB_AB42_13 1 0.000000e+00 3.658178e-06 ; 3.138825e-01 -3.658178e-06 1.408872e-02 9.218282e-03 0.000485 0.000060 True native_MD 7 94 115 + N_AB42_11 CB_AB42_13 1 0.000000e+00 3.658129e-06 ; 3.138821e-01 -3.658129e-06 1.408872e-02 9.218282e-03 0.000485 0.000060 True native_MD 7 94 115 N_AB42_11 CG_AB42_13 1 1.702976e-03 6.660556e-06 ; 3.969328e-01 1.088546e-01 1.551780e-03 1.084750e-03 0.000485 0.002166 True native_MD 7 94 116 N_AB42_11 ND1_AB42_13 1 7.401010e-04 7.562381e-07 ; 3.173666e-01 1.810770e-01 4.104886e-02 6.599227e-03 0.000485 0.002166 True native_MD 7 94 117 N_AB42_11 CD2_AB42_13 1 1.267107e-03 2.920583e-06 ; 3.634484e-01 1.374349e-01 8.264712e-03 7.493736e-03 0.000485 0.003309 True native_MD 7 94 118 @@ -23827,7 +23827,7 @@ CE2_AB42_10 O2_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592 N_AB42_11 NE2_AB42_13 1 1.096691e-03 2.417713e-06 ; 3.607614e-01 1.243666e-01 9.178579e-03 8.054045e-03 0.000485 0.002166 True native_MD 7 94 120 N_AB42_11 C_AB42_13 1 1.972387e-03 8.569597e-06 ; 4.039504e-01 1.134916e-01 1.782774e-03 5.043006e-04 0.000485 0.002166 True native_MD 7 94 121 N_AB42_11 O_AB42_13 1 7.445025e-04 9.825690e-07 ; 3.311943e-01 1.410293e-01 1.804731e-02 9.618227e-03 0.000485 0.002166 True native_MD 7 94 122 - N_AB42_11 N_AB42_14 1 0.000000e+00 8.708822e-07 ; 2.784998e-01 -8.708822e-07 6.147649e-03 1.107229e-03 0.000485 0.000060 True native_MD 7 94 123 + N_AB42_11 N_AB42_14 1 0.000000e+00 8.708730e-07 ; 2.784996e-01 -8.708730e-07 6.147649e-03 1.107229e-03 0.000485 0.000060 True native_MD 7 94 123 N_AB42_11 CA_AB42_14 1 6.245930e-03 4.926960e-05 ; 4.461665e-01 1.979498e-01 9.810664e-02 5.883738e-03 0.000485 0.001339 True native_MD 7 94 125 N_AB42_11 CB_AB42_14 1 7.115587e-04 1.554106e-06 ; 3.602010e-01 8.144810e-02 1.744415e-01 1.524390e-02 0.000485 0.000060 True native_MD 7 94 126 N_AB42_11 CG_AB42_14 1 1.086793e-03 1.255626e-06 ; 3.239308e-01 2.351656e-01 8.760084e-02 2.790753e-03 0.000485 0.002166 True native_MD 7 94 127 @@ -23848,26 +23848,26 @@ CE2_AB42_10 O2_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592 N_AB42_11 O_AB42_15 1 3.632419e-04 2.146311e-07 ; 2.896784e-01 1.536878e-01 5.936256e-03 1.595526e-04 0.000485 0.002166 True native_MD 7 94 143 N_AB42_11 N_AB42_16 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 4.463598e-04 3.109931e-05 0.000485 0.000060 True native_MD 7 94 144 N_AB42_11 CA_AB42_16 1 2.582918e-03 1.253195e-05 ; 4.114509e-01 1.330891e-01 3.204783e-03 1.192007e-04 0.000485 0.001339 True native_MD 7 94 146 - N_AB42_11 CB_AB42_16 1 0.000000e+00 3.666015e-06 ; 3.139385e-01 -3.666015e-06 3.196671e-03 4.582385e-04 0.000485 0.000060 True native_MD 7 94 147 - N_AB42_11 CG_AB42_16 1 0.000000e+00 3.664406e-06 ; 3.139270e-01 -3.664406e-06 3.795177e-03 6.189468e-04 0.000485 0.000060 True native_MD 7 94 148 - N_AB42_11 CD_AB42_16 1 0.000000e+00 3.665210e-06 ; 3.139327e-01 -3.665210e-06 3.868800e-03 9.112690e-04 0.000485 0.000060 True native_MD 7 94 149 - N_AB42_11 CE_AB42_16 1 0.000000e+00 3.655739e-06 ; 3.138650e-01 -3.655739e-06 6.648637e-03 1.114794e-03 0.000485 0.000060 True native_MD 7 94 150 - N_AB42_11 NZ_AB42_16 1 0.000000e+00 8.745123e-07 ; 2.785964e-01 -8.745123e-07 1.444502e-03 5.514699e-04 0.000485 0.000060 True native_MD 7 94 151 + N_AB42_11 CB_AB42_16 1 0.000000e+00 3.665967e-06 ; 3.139381e-01 -3.665967e-06 3.196671e-03 4.582385e-04 0.000485 0.000060 True native_MD 7 94 147 + N_AB42_11 CG_AB42_16 1 0.000000e+00 3.664357e-06 ; 3.139266e-01 -3.664357e-06 3.795177e-03 6.189468e-04 0.000485 0.000060 True native_MD 7 94 148 + N_AB42_11 CD_AB42_16 1 0.000000e+00 3.665161e-06 ; 3.139324e-01 -3.665161e-06 3.868800e-03 9.112690e-04 0.000485 0.000060 True native_MD 7 94 149 + N_AB42_11 CE_AB42_16 1 0.000000e+00 3.655691e-06 ; 3.138647e-01 -3.655691e-06 6.648637e-03 1.114794e-03 0.000485 0.000060 True native_MD 7 94 150 + N_AB42_11 NZ_AB42_16 1 0.000000e+00 8.745032e-07 ; 2.785962e-01 -8.745032e-07 1.444502e-03 5.514699e-04 0.000485 0.000060 True native_MD 7 94 151 N_AB42_11 C_AB42_16 1 6.290928e-04 1.211865e-06 ; 3.527415e-01 8.164226e-02 6.873228e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 94 152 N_AB42_11 O_AB42_16 1 1.110419e-04 2.980846e-08 ; 2.539854e-01 1.034127e-01 1.318574e-03 3.244722e-05 0.000485 0.002166 True native_MD 7 94 153 N_AB42_11 N_AB42_17 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 6.889990e-05 0.000000e+00 0.000485 0.000060 True native_MD 7 94 154 N_AB42_11 CA_AB42_17 1 2.514386e-03 1.509545e-05 ; 4.263200e-01 1.047027e-01 1.370469e-03 0.000000e+00 0.000485 0.001339 True native_MD 7 94 156 - N_AB42_11 CB_AB42_17 1 0.000000e+00 3.673623e-06 ; 3.139927e-01 -3.673623e-06 9.356058e-04 2.667052e-04 0.000485 0.000060 True native_MD 7 94 157 - N_AB42_11 CG_AB42_17 1 0.000000e+00 7.551280e-06 ; 3.334239e-01 -7.551280e-06 3.814193e-03 6.834943e-04 0.000485 0.000060 True native_MD 7 94 158 - N_AB42_11 CD1_AB42_17 1 0.000000e+00 2.732651e-06 ; 3.063447e-01 -2.732651e-06 5.274700e-03 1.528495e-03 0.000485 0.000060 True native_MD 7 94 159 - N_AB42_11 CD2_AB42_17 1 0.000000e+00 2.735127e-06 ; 3.063678e-01 -2.735127e-06 3.750837e-03 9.074277e-04 0.000485 0.000060 True native_MD 7 94 160 + N_AB42_11 CB_AB42_17 1 0.000000e+00 3.673574e-06 ; 3.139924e-01 -3.673574e-06 9.356058e-04 2.667052e-04 0.000485 0.000060 True native_MD 7 94 157 + N_AB42_11 CG_AB42_17 1 0.000000e+00 7.551268e-06 ; 3.334238e-01 -7.551268e-06 3.814193e-03 6.834943e-04 0.000485 0.000060 True native_MD 7 94 158 + N_AB42_11 CD1_AB42_17 1 0.000000e+00 2.732625e-06 ; 3.063444e-01 -2.732625e-06 5.274700e-03 1.528495e-03 0.000485 0.000060 True native_MD 7 94 159 + N_AB42_11 CD2_AB42_17 1 0.000000e+00 2.735101e-06 ; 3.063676e-01 -2.735101e-06 3.750837e-03 9.074277e-04 0.000485 0.000060 True native_MD 7 94 160 N_AB42_11 N_AB42_18 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 94 163 - N_AB42_11 CB_AB42_18 1 0.000000e+00 7.563943e-06 ; 3.334704e-01 -7.563943e-06 1.756865e-03 2.978688e-04 0.000485 0.000060 True native_MD 7 94 166 - N_AB42_11 CG1_AB42_18 1 0.000000e+00 2.740071e-06 ; 3.064139e-01 -2.740071e-06 1.728822e-03 6.877573e-04 0.000485 0.000060 True native_MD 7 94 167 - N_AB42_11 CG2_AB42_18 1 0.000000e+00 2.740780e-06 ; 3.064205e-01 -2.740780e-06 1.653905e-03 8.713346e-04 0.000485 0.000060 True native_MD 7 94 168 + N_AB42_11 CB_AB42_18 1 0.000000e+00 7.563931e-06 ; 3.334704e-01 -7.563931e-06 1.756865e-03 2.978688e-04 0.000485 0.000060 True native_MD 7 94 166 + N_AB42_11 CG1_AB42_18 1 0.000000e+00 2.740045e-06 ; 3.064137e-01 -2.740045e-06 1.728822e-03 6.877573e-04 0.000485 0.000060 True native_MD 7 94 167 + N_AB42_11 CG2_AB42_18 1 0.000000e+00 2.740754e-06 ; 3.064203e-01 -2.740754e-06 1.653905e-03 8.713346e-04 0.000485 0.000060 True native_MD 7 94 168 N_AB42_11 N_AB42_19 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 94 171 N_AB42_11 CA_AB42_19 1 2.245383e-03 1.581919e-05 ; 4.378402e-01 7.967768e-02 6.480786e-04 1.033042e-04 0.000485 0.001339 True native_MD 7 94 173 - N_AB42_11 CB_AB42_19 1 0.000000e+00 3.674753e-06 ; 3.140007e-01 -3.674753e-06 6.432374e-04 2.817118e-04 0.000485 0.000060 True native_MD 7 94 174 + N_AB42_11 CB_AB42_19 1 0.000000e+00 3.674704e-06 ; 3.140004e-01 -3.674704e-06 6.432374e-04 2.817118e-04 0.000485 0.000060 True native_MD 7 94 174 N_AB42_11 CD1_AB42_19 1 6.360326e-04 1.239019e-06 ; 3.533999e-01 8.162453e-02 6.869582e-04 5.398068e-04 0.000485 0.003309 True native_MD 7 94 176 N_AB42_11 CD2_AB42_19 1 6.360326e-04 1.239019e-06 ; 3.533999e-01 8.162453e-02 6.869582e-04 5.398068e-04 0.000485 0.003309 True native_MD 7 94 177 N_AB42_11 CE1_AB42_19 1 4.865742e-04 5.519077e-07 ; 3.229383e-01 1.072437e-01 1.478746e-03 1.171934e-03 0.000485 0.003309 True native_MD 7 94 178 @@ -23877,7 +23877,7 @@ CE2_AB42_10 O2_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592 N_AB42_11 O_AB42_19 1 9.504031e-05 2.763805e-08 ; 2.573949e-01 8.170494e-02 6.886132e-04 2.341959e-04 0.000485 0.002166 True native_MD 7 94 182 N_AB42_11 N_AB42_20 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.305471e-06 0.000000e+00 0.000485 0.000060 True native_MD 7 94 183 N_AB42_11 CA_AB42_20 1 1.766271e-03 8.756744e-06 ; 4.129342e-01 8.906603e-02 8.583115e-04 4.932646e-05 0.000485 0.001339 True native_MD 7 94 185 - N_AB42_11 CB_AB42_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 186 + N_AB42_11 CB_AB42_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 186 N_AB42_11 CD1_AB42_20 1 4.698098e-04 7.620156e-07 ; 3.427733e-01 7.241363e-02 5.214580e-04 5.044997e-04 0.000485 0.003309 True native_MD 7 94 188 N_AB42_11 CD2_AB42_20 1 4.698098e-04 7.620156e-07 ; 3.427733e-01 7.241363e-02 5.214580e-04 5.044997e-04 0.000485 0.003309 True native_MD 7 94 189 N_AB42_11 CE1_AB42_20 1 5.557069e-04 7.647344e-07 ; 3.335115e-01 1.009534e-01 1.225014e-03 1.000900e-03 0.000485 0.003309 True native_MD 7 94 190 @@ -23886,31 +23886,31 @@ CE2_AB42_10 O2_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592 N_AB42_11 C_AB42_20 1 7.519655e-04 1.870291e-06 ; 3.680882e-01 7.558346e-02 5.733457e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 94 193 N_AB42_11 N_AB42_21 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 4.839669e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 94 195 N_AB42_11 CA_AB42_21 1 1.582923e-03 7.139629e-06 ; 4.064770e-01 8.773725e-02 8.248505e-04 1.476428e-04 0.000485 0.001339 True native_MD 7 94 197 - N_AB42_11 CB_AB42_21 1 0.000000e+00 2.740879e-06 ; 3.064214e-01 -2.740879e-06 1.083215e-03 3.370050e-04 0.000485 0.000060 True native_MD 7 94 198 + N_AB42_11 CB_AB42_21 1 0.000000e+00 2.740853e-06 ; 3.064212e-01 -2.740853e-06 1.083215e-03 3.370050e-04 0.000485 0.000060 True native_MD 7 94 198 N_AB42_11 N_AB42_22 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 94 201 - N_AB42_11 CB_AB42_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 204 - N_AB42_11 CG_AB42_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 205 + N_AB42_11 CB_AB42_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 204 + N_AB42_11 CG_AB42_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 205 N_AB42_11 N_AB42_23 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 94 211 - N_AB42_11 CB_AB42_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 214 + N_AB42_11 CB_AB42_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 214 N_AB42_11 N_AB42_24 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 94 220 N_AB42_11 CB_AB42_24 1 1.500382e-03 7.865434e-06 ; 4.167927e-01 7.155192e-02 8.550719e-04 1.004769e-04 0.000485 0.000060 True native_MD 7 94 223 - N_AB42_11 CG1_AB42_24 1 0.000000e+00 2.741080e-06 ; 3.064233e-01 -2.741080e-06 9.866735e-04 3.137583e-04 0.000485 0.000060 True native_MD 7 94 224 - N_AB42_11 CG2_AB42_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 225 + N_AB42_11 CG1_AB42_24 1 0.000000e+00 2.741054e-06 ; 3.064231e-01 -2.741054e-06 9.866735e-04 3.137583e-04 0.000485 0.000060 True native_MD 7 94 224 + N_AB42_11 CG2_AB42_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 225 N_AB42_11 O_AB42_24 1 1.281755e-04 5.356743e-08 ; 2.734320e-01 7.667424e-02 5.923699e-04 4.845371e-05 0.000485 0.002166 True native_MD 7 94 227 N_AB42_11 N_AB42_25 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.147307e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 94 228 N_AB42_11 CA_AB42_25 1 1.293055e-03 3.655418e-06 ; 3.760279e-01 1.143502e-01 1.829171e-03 9.097064e-05 0.000485 0.001584 True native_MD 7 94 230 N_AB42_11 O_AB42_25 1 9.286820e-04 2.276479e-06 ; 3.671973e-01 9.471317e-02 1.016340e-03 1.084020e-05 0.000485 0.002166 True native_MD 7 94 232 N_AB42_11 N_AB42_26 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 94 233 - N_AB42_11 CB_AB42_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 236 + N_AB42_11 CB_AB42_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 236 N_AB42_11 N_AB42_27 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 94 240 - N_AB42_11 CB_AB42_27 1 0.000000e+00 3.674171e-06 ; 3.139966e-01 -3.674171e-06 6.196750e-04 9.993052e-05 0.000485 0.000060 True native_MD 7 94 243 + N_AB42_11 CB_AB42_27 1 0.000000e+00 3.674123e-06 ; 3.139963e-01 -3.674123e-06 6.196750e-04 9.993052e-05 0.000485 0.000060 True native_MD 7 94 243 N_AB42_11 ND2_AB42_27 1 6.186407e-04 1.215512e-06 ; 3.539051e-01 7.871506e-02 6.296757e-04 2.190893e-04 0.000485 0.002166 True native_MD 7 94 246 N_AB42_11 N_AB42_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.176090e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 94 249 N_AB42_11 CA_AB42_28 1 3.517054e-03 3.155835e-05 ; 4.558506e-01 9.799048e-02 1.121071e-03 4.994687e-05 0.000485 0.001339 True native_MD 7 94 251 N_AB42_11 CB_AB42_28 1 1.350888e-03 4.625613e-06 ; 3.882323e-01 9.863012e-02 1.142737e-03 7.765372e-06 0.000485 0.000060 True native_MD 7 94 252 N_AB42_11 CG_AB42_28 1 1.647909e-03 7.605843e-06 ; 4.080396e-01 8.926047e-02 8.633206e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 94 253 N_AB42_11 CD_AB42_28 1 1.190151e-03 4.042125e-06 ; 3.877049e-01 8.760618e-02 1.022789e-03 7.433577e-05 0.000485 0.000060 True native_MD 7 94 254 - N_AB42_11 CE_AB42_28 1 0.000000e+00 3.671887e-06 ; 3.139803e-01 -3.671887e-06 1.373385e-03 2.322281e-04 0.000485 0.000060 True native_MD 7 94 255 + N_AB42_11 CE_AB42_28 1 0.000000e+00 3.671838e-06 ; 3.139800e-01 -3.671838e-06 1.373385e-03 2.322281e-04 0.000485 0.000060 True native_MD 7 94 255 N_AB42_11 NZ_AB42_28 1 6.715606e-04 1.568290e-06 ; 3.642422e-01 7.189256e-02 5.133897e-04 5.134747e-05 0.000485 0.000060 True native_MD 7 94 256 N_AB42_11 C_AB42_28 1 1.126056e-03 3.954911e-06 ; 3.898787e-01 8.015363e-02 6.573754e-04 5.001414e-05 0.000485 0.002166 True native_MD 7 94 257 N_AB42_11 O_AB42_28 1 1.981017e-04 1.151592e-07 ; 2.888917e-01 8.519568e-02 7.644398e-04 4.998874e-05 0.000485 0.002166 True native_MD 7 94 258 @@ -23981,14 +23981,14 @@ CE2_AB42_10 O2_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592 N_AB42_11 N_AB42_41 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.294961e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 94 345 N_AB42_11 CB_AB42_41 1 2.347916e-03 1.500463e-05 ; 4.307816e-01 9.185010e-02 9.328860e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 94 348 N_AB42_11 CG1_AB42_41 1 6.843805e-04 1.415566e-06 ; 3.569484e-01 8.271898e-02 7.098303e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 94 349 - N_AB42_11 CG2_AB42_41 1 0.000000e+00 2.741009e-06 ; 3.064227e-01 -2.741009e-06 8.486796e-04 1.497441e-04 0.000485 0.000060 True native_MD 7 94 350 + N_AB42_11 CG2_AB42_41 1 0.000000e+00 2.740983e-06 ; 3.064224e-01 -2.740983e-06 8.486796e-04 1.497441e-04 0.000485 0.000060 True native_MD 7 94 350 N_AB42_11 CD_AB42_41 1 9.287040e-04 2.732856e-06 ; 3.785500e-01 7.890016e-02 1.672774e-03 1.577605e-04 0.000485 0.000060 True native_MD 7 94 351 N_AB42_11 N_AB42_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 9.569481e-06 0.000000e+00 0.000485 0.000060 True native_MD 7 94 354 - N_AB42_11 CB_AB42_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 357 + N_AB42_11 CB_AB42_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 357 H_AB42_11 H_AB42_11 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 95 H_AB42_11 OE1_AB42_11 1 2.411545e-06 2.033823e-11 ; 1.426712e-01 7.148543e-02 3.424876e-02 4.032483e-03 0.000485 0.000060 True native_MD 6 95 100 H_AB42_11 OE2_AB42_11 1 2.411545e-06 2.033823e-11 ; 1.426712e-01 7.148543e-02 3.424876e-02 4.032483e-03 0.000485 0.000060 True native_MD 6 95 101 - H_AB42_11 O_AB42_11 1 0.000000e+00 1.445953e-08 ; 1.979283e-01 -1.445953e-08 2.992169e-01 2.311161e-01 0.000485 0.000060 True native_MD 4 95 103 + H_AB42_11 O_AB42_11 1 0.000000e+00 1.445976e-08 ; 1.979285e-01 -1.445976e-08 2.992169e-01 2.311161e-01 0.000485 0.000060 True native_MD 4 95 103 H_AB42_11 H_AB42_12 1 0.000000e+00 1.463874e-08 ; 1.981316e-01 -1.463874e-08 3.885235e-01 6.084188e-01 0.000485 0.000060 True native_MD 5 95 105 H_AB42_11 O_AB42_12 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 111 H_AB42_11 H_AB42_13 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 113 @@ -24059,15 +24059,15 @@ CE2_AB42_10 O2_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592 H_AB42_11 H_AB42_42 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 355 H_AB42_11 O1_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 359 H_AB42_11 O2_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 360 - CA_AB42_11 OE1_AB42_11 1 0.000000e+00 3.317937e-06 ; 3.113393e-01 -3.317937e-06 9.911553e-01 9.779876e-01 0.000485 0.000060 True native_MD 4 96 100 - CA_AB42_11 OE2_AB42_11 1 0.000000e+00 3.317937e-06 ; 3.113393e-01 -3.317937e-06 9.911553e-01 9.779876e-01 0.000485 0.000060 True native_MD 4 96 101 - CA_AB42_11 CB_AB42_12 1 0.000000e+00 6.555550e-05 ; 3.992201e-01 -6.555550e-05 1.000000e+00 9.999963e-01 0.000485 0.000060 True native_MD 4 96 107 - CA_AB42_11 CG1_AB42_12 1 0.000000e+00 2.158519e-05 ; 3.639217e-01 -2.158519e-05 7.067111e-01 6.160239e-01 0.000485 0.000060 True native_MD 5 96 108 - CA_AB42_11 CG2_AB42_12 1 0.000000e+00 2.415797e-05 ; 3.673528e-01 -2.415797e-05 8.478078e-01 8.655034e-01 0.000485 0.000060 True native_MD 5 96 109 - CA_AB42_11 C_AB42_12 1 0.000000e+00 1.305183e-05 ; 3.489803e-01 -1.305183e-05 9.999990e-01 9.999965e-01 0.000485 0.000060 True native_MD 4 96 110 - CA_AB42_11 O_AB42_12 1 0.000000e+00 5.876618e-06 ; 3.265294e-01 -5.876618e-06 1.774427e-01 5.923037e-01 0.000485 0.000060 True native_MD 5 96 111 - CA_AB42_11 N_AB42_13 1 0.000000e+00 4.784741e-06 ; 3.209839e-01 -4.784741e-06 8.967956e-01 5.284450e-01 0.000485 0.000060 True native_MD 5 96 112 - CA_AB42_11 CA_AB42_13 1 0.000000e+00 4.107809e-05 ; 3.839687e-01 -4.107809e-05 8.998288e-01 5.264420e-01 0.000485 0.000060 True native_MD 6 96 114 + CA_AB42_11 OE1_AB42_11 1 0.000000e+00 3.317964e-06 ; 3.113396e-01 -3.317964e-06 9.911553e-01 9.779876e-01 0.000485 0.000060 True native_MD 4 96 100 + CA_AB42_11 OE2_AB42_11 1 0.000000e+00 3.317964e-06 ; 3.113396e-01 -3.317964e-06 9.911553e-01 9.779876e-01 0.000485 0.000060 True native_MD 4 96 101 + CA_AB42_11 CB_AB42_12 1 0.000000e+00 6.555598e-05 ; 3.992204e-01 -6.555598e-05 1.000000e+00 9.999963e-01 0.000485 0.000060 True native_MD 4 96 107 + CA_AB42_11 CG1_AB42_12 1 0.000000e+00 2.158517e-05 ; 3.639217e-01 -2.158517e-05 7.067111e-01 6.160239e-01 0.000485 0.000060 True native_MD 5 96 108 + CA_AB42_11 CG2_AB42_12 1 0.000000e+00 2.415795e-05 ; 3.673528e-01 -2.415795e-05 8.478078e-01 8.655034e-01 0.000485 0.000060 True native_MD 5 96 109 + CA_AB42_11 C_AB42_12 1 0.000000e+00 1.305176e-05 ; 3.489802e-01 -1.305176e-05 9.999990e-01 9.999965e-01 0.000485 0.000060 True native_MD 4 96 110 + CA_AB42_11 O_AB42_12 1 0.000000e+00 5.876664e-06 ; 3.265296e-01 -5.876664e-06 1.774427e-01 5.923037e-01 0.000485 0.000060 True native_MD 5 96 111 + CA_AB42_11 N_AB42_13 1 0.000000e+00 4.784733e-06 ; 3.209838e-01 -4.784733e-06 8.967956e-01 5.284450e-01 0.000485 0.000060 True native_MD 5 96 112 + CA_AB42_11 CA_AB42_13 1 0.000000e+00 4.107839e-05 ; 3.839690e-01 -4.107839e-05 8.998288e-01 5.264420e-01 0.000485 0.000060 True native_MD 6 96 114 CA_AB42_11 CB_AB42_13 1 9.250151e-03 1.681209e-04 ; 5.127576e-01 1.272377e-01 4.633490e-01 1.758542e-01 0.000485 0.001021 True native_MD 7 96 115 CA_AB42_11 CG_AB42_13 1 4.829775e-03 3.821558e-05 ; 4.463946e-01 1.525996e-01 3.188497e-01 7.429129e-02 0.000485 0.001339 True native_MD 7 96 116 CA_AB42_11 ND1_AB42_13 1 9.653557e-04 1.626961e-06 ; 3.449702e-01 1.431982e-01 3.791267e-01 1.170388e-01 0.000485 0.001339 True native_MD 7 96 117 @@ -24241,45 +24241,45 @@ CE2_AB42_10 O2_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592 CA_AB42_11 CD_AB42_41 1 1.791543e-03 5.474113e-06 ; 3.809323e-01 1.465820e-01 4.799118e-03 5.623005e-04 0.000485 0.001932 True native_MD 7 96 351 CA_AB42_11 CA_AB42_42 1 5.899627e-03 9.080761e-05 ; 4.987500e-01 9.582236e-02 1.050642e-03 4.922546e-04 0.000485 0.000883 True native_MD 7 96 356 CA_AB42_11 CB_AB42_42 1 2.072013e-03 1.017848e-05 ; 4.123017e-01 1.054488e-01 1.401415e-03 4.998361e-04 0.000485 0.001932 True native_MD 7 96 357 - CB_AB42_11 CD_AB42_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 99 - CB_AB42_11 OE1_AB42_11 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 100 - CB_AB42_11 OE2_AB42_11 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 101 - CB_AB42_11 C_AB42_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 102 + CB_AB42_11 CD_AB42_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 99 + CB_AB42_11 OE1_AB42_11 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 100 + CB_AB42_11 OE2_AB42_11 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 101 + CB_AB42_11 C_AB42_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 102 CB_AB42_11 O_AB42_11 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 103 - CB_AB42_11 N_AB42_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 104 - CB_AB42_11 CA_AB42_12 1 0.000000e+00 3.181365e-05 ; 3.758773e-01 -3.181365e-05 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 97 106 - CB_AB42_11 CB_AB42_12 1 0.000000e+00 3.372539e-05 ; 3.777097e-01 -3.372539e-05 8.724208e-01 9.325126e-01 0.000485 0.000060 True native_MD 5 97 107 - CB_AB42_11 CG1_AB42_12 1 0.000000e+00 1.226607e-05 ; 3.471793e-01 -1.226607e-05 2.097358e-01 2.745161e-01 0.000485 0.000060 True native_MD 6 97 108 - CB_AB42_11 CG2_AB42_12 1 0.000000e+00 1.299802e-05 ; 3.488602e-01 -1.299802e-05 2.578602e-01 3.861795e-01 0.000485 0.000060 True native_MD 6 97 109 - CB_AB42_11 C_AB42_12 1 0.000000e+00 5.590319e-06 ; 3.251732e-01 -5.590319e-06 4.129871e-01 2.955815e-01 0.000485 0.000060 True native_MD 5 97 110 - CB_AB42_11 O_AB42_12 1 0.000000e+00 2.153368e-06 ; 3.003227e-01 -2.153368e-06 4.658857e-02 1.149094e-01 0.000485 0.000060 True native_MD 6 97 111 - CB_AB42_11 N_AB42_13 1 0.000000e+00 2.688467e-06 ; 3.059288e-01 -2.688467e-06 3.688134e-01 1.001537e-01 0.000485 0.000060 True native_MD 6 97 112 + CB_AB42_11 N_AB42_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 104 + CB_AB42_11 CA_AB42_12 1 0.000000e+00 3.181352e-05 ; 3.758772e-01 -3.181352e-05 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 97 106 + CB_AB42_11 CB_AB42_12 1 0.000000e+00 3.372525e-05 ; 3.777095e-01 -3.372525e-05 8.724208e-01 9.325126e-01 0.000485 0.000060 True native_MD 5 97 107 + CB_AB42_11 CG1_AB42_12 1 0.000000e+00 1.226592e-05 ; 3.471789e-01 -1.226592e-05 2.097358e-01 2.745161e-01 0.000485 0.000060 True native_MD 6 97 108 + CB_AB42_11 CG2_AB42_12 1 0.000000e+00 1.299787e-05 ; 3.488599e-01 -1.299787e-05 2.578602e-01 3.861795e-01 0.000485 0.000060 True native_MD 6 97 109 + CB_AB42_11 C_AB42_12 1 0.000000e+00 5.590225e-06 ; 3.251727e-01 -5.590225e-06 4.129871e-01 2.955815e-01 0.000485 0.000060 True native_MD 5 97 110 + CB_AB42_11 O_AB42_12 1 0.000000e+00 2.153360e-06 ; 3.003226e-01 -2.153360e-06 4.658857e-02 1.149094e-01 0.000485 0.000060 True native_MD 6 97 111 + CB_AB42_11 N_AB42_13 1 0.000000e+00 2.688431e-06 ; 3.059285e-01 -2.688431e-06 3.688134e-01 1.001537e-01 0.000485 0.000060 True native_MD 6 97 112 CB_AB42_11 CA_AB42_13 1 7.139866e-03 9.265042e-05 ; 4.847594e-01 1.375539e-01 4.082562e-01 1.137895e-01 0.000485 0.001021 True native_MD 7 97 114 CB_AB42_11 CB_AB42_13 1 5.967434e-03 6.568500e-05 ; 4.716427e-01 1.355343e-01 1.851315e-01 6.390490e-02 0.000485 0.001190 True native_MD 7 97 115 - CB_AB42_11 CG_AB42_13 1 0.000000e+00 4.860599e-06 ; 3.214049e-01 -4.860599e-06 2.708280e-01 3.821495e-02 0.000485 0.000060 True native_MD 7 97 116 - CB_AB42_11 ND1_AB42_13 1 0.000000e+00 3.453010e-06 ; 3.123764e-01 -3.453010e-06 3.334449e-01 4.946809e-02 0.000485 0.000060 True native_MD 7 97 117 + CB_AB42_11 CG_AB42_13 1 0.000000e+00 4.860517e-06 ; 3.214044e-01 -4.860517e-06 2.708280e-01 3.821495e-02 0.000485 0.000060 True native_MD 7 97 116 + CB_AB42_11 ND1_AB42_13 1 0.000000e+00 3.452950e-06 ; 3.123759e-01 -3.452950e-06 3.334449e-01 4.946809e-02 0.000485 0.000060 True native_MD 7 97 117 CB_AB42_11 CD2_AB42_13 1 1.863698e-03 5.110056e-06 ; 3.741178e-01 1.699283e-01 2.180763e-01 5.269659e-02 0.000485 0.002332 True native_MD 7 97 118 CB_AB42_11 CE1_AB42_13 1 5.717666e-04 4.608249e-07 ; 3.050606e-01 1.773543e-01 3.629958e-01 7.023637e-02 0.000485 0.002332 True native_MD 7 97 119 - CB_AB42_11 NE2_AB42_13 1 0.000000e+00 3.580929e-06 ; 3.133247e-01 -3.580929e-06 3.158561e-01 5.840494e-02 0.000485 0.000060 True native_MD 7 97 120 - CB_AB42_11 C_AB42_13 1 0.000000e+00 5.952185e-06 ; 3.268773e-01 -5.952185e-06 8.714020e-02 2.686571e-02 0.000485 0.000060 True native_MD 7 97 121 + CB_AB42_11 NE2_AB42_13 1 0.000000e+00 3.580867e-06 ; 3.133243e-01 -3.580867e-06 3.158561e-01 5.840494e-02 0.000485 0.000060 True native_MD 7 97 120 + CB_AB42_11 C_AB42_13 1 0.000000e+00 5.952085e-06 ; 3.268768e-01 -5.952085e-06 8.714020e-02 2.686571e-02 0.000485 0.000060 True native_MD 7 97 121 CB_AB42_11 O_AB42_13 1 5.481490e-04 6.970536e-07 ; 3.291505e-01 1.077634e-01 3.046333e-02 2.414790e-02 0.000485 0.001191 True native_MD 7 97 122 CB_AB42_11 N_AB42_14 1 1.300037e-03 5.565773e-06 ; 4.029597e-01 7.591468e-02 2.571476e-01 2.651824e-02 0.000485 0.000060 True native_MD 7 97 123 CB_AB42_11 CA_AB42_14 1 5.702174e-03 5.039503e-05 ; 4.546996e-01 1.612996e-01 4.243652e-01 5.811573e-02 0.000485 0.001021 True native_MD 7 97 125 CB_AB42_11 CB_AB42_14 1 2.171606e-03 7.028675e-06 ; 3.846054e-01 1.677369e-01 4.707773e-01 6.199303e-02 0.000485 0.001190 True native_MD 7 97 126 CB_AB42_11 CG_AB42_14 1 8.353191e-04 2.241124e-06 ; 3.727654e-01 7.783572e-02 3.342484e-01 3.254352e-02 0.000485 0.000060 True native_MD 7 97 127 - CB_AB42_11 ND1_AB42_14 1 0.000000e+00 4.248344e-06 ; 3.178191e-01 -4.248344e-06 1.510276e-01 3.197292e-02 0.000485 0.000060 True native_MD 7 97 128 + CB_AB42_11 ND1_AB42_14 1 0.000000e+00 4.248270e-06 ; 3.178186e-01 -4.248270e-06 1.510276e-01 3.197292e-02 0.000485 0.000060 True native_MD 7 97 128 CB_AB42_11 CD2_AB42_14 1 1.197842e-03 1.833128e-06 ; 3.394680e-01 1.956798e-01 3.342271e-01 3.737072e-02 0.000485 0.002332 True native_MD 7 97 129 CB_AB42_11 CE1_AB42_14 1 8.805187e-04 1.108340e-06 ; 3.285911e-01 1.748816e-01 1.612980e-01 3.360673e-02 0.000485 0.002332 True native_MD 7 97 130 - CB_AB42_11 NE2_AB42_14 1 0.000000e+00 3.874478e-06 ; 3.153887e-01 -3.874478e-06 2.253662e-01 2.878592e-02 0.000485 0.000060 True native_MD 7 97 131 - CB_AB42_11 C_AB42_14 1 0.000000e+00 6.122577e-06 ; 3.276470e-01 -6.122577e-06 4.045471e-02 7.081615e-03 0.000485 0.000060 True native_MD 7 97 132 + CB_AB42_11 NE2_AB42_14 1 0.000000e+00 3.874411e-06 ; 3.153882e-01 -3.874411e-06 2.253662e-01 2.878592e-02 0.000485 0.000060 True native_MD 7 97 131 + CB_AB42_11 C_AB42_14 1 0.000000e+00 6.122474e-06 ; 3.276465e-01 -6.122474e-06 4.045471e-02 7.081615e-03 0.000485 0.000060 True native_MD 7 97 132 CB_AB42_11 O_AB42_14 1 8.075167e-04 1.074587e-06 ; 3.316513e-01 1.517055e-01 3.106014e-02 6.610044e-03 0.000485 0.001191 True native_MD 7 97 133 CB_AB42_11 N_AB42_15 1 1.363318e-03 5.352104e-06 ; 3.971805e-01 8.681803e-02 4.678426e-02 3.481407e-03 0.000485 0.000060 True native_MD 7 97 134 CB_AB42_11 CA_AB42_15 1 5.004529e-03 3.815370e-05 ; 4.436382e-01 1.641080e-01 9.277323e-02 1.168090e-02 0.000485 0.001021 True native_MD 7 97 136 CB_AB42_11 CB_AB42_15 1 3.420766e-03 1.746540e-05 ; 4.149628e-01 1.674975e-01 9.575454e-02 1.269982e-02 0.000485 0.001190 True native_MD 7 97 137 CB_AB42_11 CG_AB42_15 1 2.562780e-03 9.950688e-06 ; 3.964517e-01 1.650097e-01 1.352252e-01 1.932096e-02 0.000485 0.001190 True native_MD 7 97 138 - CB_AB42_11 CD_AB42_15 1 0.000000e+00 5.781997e-06 ; 3.260880e-01 -5.781997e-06 1.008358e-01 1.369225e-02 0.000485 0.000060 True native_MD 7 97 139 + CB_AB42_11 CD_AB42_15 1 0.000000e+00 5.781900e-06 ; 3.260875e-01 -5.781900e-06 1.008358e-01 1.369225e-02 0.000485 0.000060 True native_MD 7 97 139 CB_AB42_11 OE1_AB42_15 1 6.970725e-04 6.941711e-07 ; 3.160080e-01 1.749965e-01 7.845270e-02 8.315783e-03 0.000485 0.001191 True native_MD 7 97 140 - CB_AB42_11 NE2_AB42_15 1 0.000000e+00 6.054698e-06 ; 3.273427e-01 -6.054698e-06 6.348980e-02 1.984466e-02 0.000485 0.000060 True native_MD 7 97 141 + CB_AB42_11 NE2_AB42_15 1 0.000000e+00 6.054664e-06 ; 3.273426e-01 -6.054664e-06 6.348980e-02 1.984466e-02 0.000485 0.000060 True native_MD 7 97 141 CB_AB42_11 C_AB42_15 1 1.533496e-03 6.871517e-06 ; 4.060333e-01 8.555639e-02 6.719749e-03 5.192843e-04 0.000485 0.000060 True native_MD 7 97 142 CB_AB42_11 O_AB42_15 1 7.722494e-04 1.012888e-06 ; 3.308522e-01 1.471952e-01 4.887994e-03 5.652453e-04 0.000485 0.001191 True native_MD 7 97 143 CB_AB42_11 N_AB42_16 1 1.777450e-03 8.013123e-06 ; 4.064440e-01 9.856728e-02 6.983510e-03 3.656181e-04 0.000485 0.000060 True native_MD 7 97 144 @@ -24288,8 +24288,8 @@ CE2_AB42_10 O2_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592 CB_AB42_11 CG_AB42_16 1 2.503391e-03 9.915012e-06 ; 3.977658e-01 1.580171e-01 2.858838e-02 5.035485e-03 0.000485 0.001190 True native_MD 7 97 148 CB_AB42_11 CD_AB42_16 1 1.811551e-03 5.416323e-06 ; 3.795558e-01 1.514735e-01 3.580149e-02 7.670040e-03 0.000485 0.001190 True native_MD 7 97 149 CB_AB42_11 CE_AB42_16 1 2.160905e-03 7.599899e-06 ; 3.899678e-01 1.536044e-01 4.403760e-02 8.851698e-03 0.000485 0.001190 True native_MD 7 97 150 - CB_AB42_11 NZ_AB42_16 1 0.000000e+00 3.567197e-06 ; 3.132244e-01 -3.567197e-06 3.475860e-02 5.138777e-03 0.000485 0.000060 True native_MD 7 97 151 - CB_AB42_11 C_AB42_16 1 0.000000e+00 6.321769e-06 ; 3.285223e-01 -6.321769e-06 2.246470e-03 3.216303e-04 0.000485 0.000060 True native_MD 7 97 152 + CB_AB42_11 NZ_AB42_16 1 0.000000e+00 3.567150e-06 ; 3.132241e-01 -3.567150e-06 3.475860e-02 5.138777e-03 0.000485 0.000060 True native_MD 7 97 151 + CB_AB42_11 C_AB42_16 1 0.000000e+00 6.321663e-06 ; 3.285219e-01 -6.321663e-06 2.246470e-03 3.216303e-04 0.000485 0.000060 True native_MD 7 97 152 CB_AB42_11 O_AB42_16 1 4.822839e-04 5.161910e-07 ; 3.198291e-01 1.126510e-01 1.738486e-03 5.018010e-04 0.000485 0.001191 True native_MD 7 97 153 CB_AB42_11 N_AB42_17 1 1.016028e-03 2.391764e-06 ; 3.647277e-01 1.079030e-01 1.508212e-03 4.137509e-05 0.000485 0.000060 True native_MD 7 97 154 CB_AB42_11 CA_AB42_17 1 1.925618e-03 7.434693e-06 ; 3.960793e-01 1.246858e-01 3.857410e-03 1.580181e-03 0.000485 0.001021 True native_MD 7 97 156 @@ -24297,16 +24297,16 @@ CE2_AB42_10 O2_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592 CB_AB42_11 CG_AB42_17 1 2.688903e-03 1.690715e-05 ; 4.296181e-01 1.069104e-01 9.126133e-03 6.363843e-03 0.000485 0.001021 True native_MD 7 97 158 CB_AB42_11 CD1_AB42_17 1 1.243935e-03 3.139758e-06 ; 3.689915e-01 1.232081e-01 6.715519e-03 6.567903e-03 0.000485 0.002332 True native_MD 7 97 159 CB_AB42_11 CD2_AB42_17 1 1.313757e-03 3.331152e-06 ; 3.692722e-01 1.295315e-01 6.912822e-03 5.595247e-03 0.000485 0.002332 True native_MD 7 97 160 - CB_AB42_11 C_AB42_17 1 0.000000e+00 6.328257e-06 ; 3.285504e-01 -6.328257e-06 1.222617e-03 3.220313e-04 0.000485 0.000060 True native_MD 7 97 161 + CB_AB42_11 C_AB42_17 1 0.000000e+00 6.328151e-06 ; 3.285499e-01 -6.328151e-06 1.222617e-03 3.220313e-04 0.000485 0.000060 True native_MD 7 97 161 CB_AB42_11 O_AB42_17 1 4.303382e-04 6.314745e-07 ; 3.370991e-01 7.331688e-02 5.357455e-04 5.241726e-04 0.000485 0.001191 True native_MD 7 97 162 - CB_AB42_11 N_AB42_18 1 0.000000e+00 3.673446e-06 ; 3.139914e-01 -3.673446e-06 8.669376e-04 1.500100e-04 0.000485 0.000060 True native_MD 7 97 163 + CB_AB42_11 N_AB42_18 1 0.000000e+00 3.673398e-06 ; 3.139911e-01 -3.673398e-06 8.669376e-04 1.500100e-04 0.000485 0.000060 True native_MD 7 97 163 CB_AB42_11 CA_AB42_18 1 4.132069e-03 3.548358e-05 ; 4.525258e-01 1.202950e-01 3.602780e-03 1.683117e-03 0.000485 0.001021 True native_MD 7 97 165 CB_AB42_11 CB_AB42_18 1 1.950972e-03 8.576988e-06 ; 4.047442e-01 1.109449e-01 6.507876e-03 4.021951e-03 0.000485 0.001021 True native_MD 7 97 166 CB_AB42_11 CG1_AB42_18 1 1.319956e-03 3.121454e-06 ; 3.650057e-01 1.395410e-01 5.396185e-03 3.237137e-03 0.000485 0.002332 True native_MD 7 97 167 CB_AB42_11 CG2_AB42_18 1 1.048472e-03 2.044261e-06 ; 3.534516e-01 1.344365e-01 5.471151e-03 3.823794e-03 0.000485 0.002332 True native_MD 7 97 168 - CB_AB42_11 C_AB42_18 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 169 + CB_AB42_11 C_AB42_18 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 169 CB_AB42_11 O_AB42_18 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 6.874831e-05 1.960775e-04 0.000485 0.001191 True native_MD 7 97 170 - CB_AB42_11 N_AB42_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 171 + CB_AB42_11 N_AB42_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 171 CB_AB42_11 CA_AB42_19 1 2.925644e-03 2.331598e-05 ; 4.469291e-01 9.177608e-02 1.508855e-03 1.654914e-03 0.000485 0.001021 True native_MD 7 97 173 CB_AB42_11 CB_AB42_19 1 1.180377e-03 3.682179e-06 ; 3.822499e-01 9.459679e-02 2.444296e-03 2.872489e-03 0.000485 0.001190 True native_MD 7 97 174 CB_AB42_11 CD1_AB42_19 1 9.587440e-04 1.967428e-06 ; 3.564780e-01 1.168010e-01 2.761736e-03 3.272155e-03 0.000485 0.002332 True native_MD 7 97 176 @@ -24314,58 +24314,58 @@ CE2_AB42_10 O2_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592 CB_AB42_11 CE1_AB42_19 1 8.855918e-04 1.692912e-06 ; 3.522899e-01 1.158171e-01 4.473956e-03 5.459217e-03 0.000485 0.002332 True native_MD 7 97 178 CB_AB42_11 CE2_AB42_19 1 8.855918e-04 1.692912e-06 ; 3.522899e-01 1.158171e-01 4.473956e-03 5.459217e-03 0.000485 0.002332 True native_MD 7 97 179 CB_AB42_11 CZ_AB42_19 1 1.036274e-03 2.342881e-06 ; 3.622813e-01 1.145880e-01 5.077872e-03 6.428271e-03 0.000485 0.002332 True native_MD 7 97 180 - CB_AB42_11 C_AB42_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 181 + CB_AB42_11 C_AB42_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 181 CB_AB42_11 O_AB42_19 1 8.341592e-04 2.204874e-06 ; 3.718397e-01 7.889584e-02 6.330915e-04 5.437817e-04 0.000485 0.001191 True native_MD 7 97 182 - CB_AB42_11 N_AB42_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 183 + CB_AB42_11 N_AB42_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 183 CB_AB42_11 CA_AB42_20 1 2.871253e-03 2.483615e-05 ; 4.530737e-01 8.298479e-02 9.811017e-04 1.399908e-03 0.000485 0.001021 True native_MD 7 97 185 CB_AB42_11 CB_AB42_20 1 1.158817e-03 3.156524e-06 ; 3.737080e-01 1.063557e-01 1.953262e-03 1.614500e-03 0.000485 0.001190 True native_MD 7 97 186 CB_AB42_11 CG_AB42_20 1 1.765928e-03 6.678563e-06 ; 3.947162e-01 1.167355e-01 1.964519e-03 9.007309e-04 0.000485 0.002332 True native_MD 7 97 187 CB_AB42_11 CE1_AB42_20 1 9.938353e-04 1.989886e-06 ; 3.550196e-01 1.240911e-01 3.861381e-03 3.678298e-03 0.000485 0.002332 True native_MD 7 97 190 CB_AB42_11 CE2_AB42_20 1 9.938353e-04 1.989886e-06 ; 3.550196e-01 1.240911e-01 3.861381e-03 3.678298e-03 0.000485 0.002332 True native_MD 7 97 191 CB_AB42_11 CZ_AB42_20 1 9.892834e-04 2.016710e-06 ; 3.560851e-01 1.213216e-01 4.464227e-03 4.620035e-03 0.000485 0.002332 True native_MD 7 97 192 - CB_AB42_11 C_AB42_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 193 + CB_AB42_11 C_AB42_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 193 CB_AB42_11 O_AB42_20 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 3.234556e-04 3.019748e-04 0.000485 0.001191 True native_MD 7 97 194 - CB_AB42_11 N_AB42_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 195 - CB_AB42_11 CA_AB42_21 1 0.000000e+00 3.184529e-05 ; 3.759085e-01 -3.184529e-05 6.484485e-04 1.642842e-03 0.000485 0.001021 True native_MD 7 97 197 + CB_AB42_11 N_AB42_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 195 + CB_AB42_11 CA_AB42_21 1 0.000000e+00 3.184515e-05 ; 3.759083e-01 -3.184515e-05 6.484485e-04 1.642842e-03 0.000485 0.001021 True native_MD 7 97 197 CB_AB42_11 CB_AB42_21 1 7.948390e-04 1.907010e-06 ; 3.658859e-01 8.282193e-02 7.120205e-04 1.784734e-03 0.000485 0.002332 True native_MD 7 97 198 - CB_AB42_11 C_AB42_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 199 + CB_AB42_11 C_AB42_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 199 CB_AB42_11 O_AB42_21 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 1.320918e-04 2.582546e-04 0.000485 0.001191 True native_MD 7 97 200 - CB_AB42_11 N_AB42_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 201 - CB_AB42_11 CD_AB42_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 206 - CB_AB42_11 OE1_AB42_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 207 - CB_AB42_11 OE2_AB42_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 208 - CB_AB42_11 C_AB42_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 209 + CB_AB42_11 N_AB42_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 201 + CB_AB42_11 CD_AB42_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 206 + CB_AB42_11 OE1_AB42_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 207 + CB_AB42_11 OE2_AB42_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 208 + CB_AB42_11 C_AB42_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 209 CB_AB42_11 O_AB42_22 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.003228e-05 0.000485 0.001191 True native_MD 7 97 210 - CB_AB42_11 N_AB42_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 211 - CB_AB42_11 CG_AB42_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 215 - CB_AB42_11 OD1_AB42_23 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 216 - CB_AB42_11 OD2_AB42_23 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 217 - CB_AB42_11 C_AB42_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 218 + CB_AB42_11 N_AB42_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 211 + CB_AB42_11 CG_AB42_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 215 + CB_AB42_11 OD1_AB42_23 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 216 + CB_AB42_11 OD2_AB42_23 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 217 + CB_AB42_11 C_AB42_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 218 CB_AB42_11 O_AB42_23 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 2.171435e-04 1.599147e-04 0.000485 0.001191 True native_MD 7 97 219 - CB_AB42_11 N_AB42_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 220 + CB_AB42_11 N_AB42_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 220 CB_AB42_11 CA_AB42_24 1 2.528186e-03 1.336366e-05 ; 4.173682e-01 1.195729e-01 2.138615e-03 8.259324e-04 0.000485 0.001021 True native_MD 7 97 222 CB_AB42_11 CB_AB42_24 1 2.334967e-03 1.113240e-05 ; 4.102526e-01 1.224370e-01 3.028620e-03 1.327038e-03 0.000485 0.001021 True native_MD 7 97 223 CB_AB42_11 CG1_AB42_24 1 1.601300e-03 4.924557e-06 ; 3.813430e-01 1.301722e-01 2.936897e-03 1.227210e-03 0.000485 0.002332 True native_MD 7 97 224 CB_AB42_11 CG2_AB42_24 1 8.249950e-04 1.586598e-06 ; 3.526435e-01 1.072447e-01 1.478790e-03 6.366691e-04 0.000485 0.002332 True native_MD 7 97 225 - CB_AB42_11 C_AB42_24 1 0.000000e+00 6.328354e-06 ; 3.285508e-01 -6.328354e-06 1.058092e-03 1.728553e-04 0.000485 0.000060 True native_MD 7 97 226 + CB_AB42_11 C_AB42_24 1 0.000000e+00 6.328248e-06 ; 3.285504e-01 -6.328248e-06 1.058092e-03 1.728553e-04 0.000485 0.000060 True native_MD 7 97 226 CB_AB42_11 O_AB42_24 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 4.630146e-04 1.018942e-04 0.000485 0.001191 True native_MD 7 97 227 - CB_AB42_11 N_AB42_25 1 0.000000e+00 3.671884e-06 ; 3.139803e-01 -3.671884e-06 1.345221e-03 2.033946e-04 0.000485 0.000060 True native_MD 7 97 228 + CB_AB42_11 N_AB42_25 1 0.000000e+00 3.671836e-06 ; 3.139800e-01 -3.671836e-06 1.345221e-03 2.033946e-04 0.000485 0.000060 True native_MD 7 97 228 CB_AB42_11 CA_AB42_25 1 1.622788e-03 5.139431e-06 ; 3.832147e-01 1.280999e-01 2.760289e-03 8.065737e-04 0.000485 0.001190 True native_MD 7 97 230 CB_AB42_11 C_AB42_25 1 1.231108e-03 4.738691e-06 ; 3.958771e-01 7.996024e-02 1.802174e-03 1.646570e-04 0.000485 0.000060 True native_MD 7 97 231 CB_AB42_11 O_AB42_25 1 5.290565e-04 6.641135e-07 ; 3.284405e-01 1.053663e-01 1.397959e-03 3.041530e-04 0.000485 0.001191 True native_MD 7 97 232 - CB_AB42_11 N_AB42_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 233 + CB_AB42_11 N_AB42_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 233 CB_AB42_11 CA_AB42_26 1 1.617080e-03 5.506129e-06 ; 3.878697e-01 1.187289e-01 2.085274e-03 5.701739e-04 0.000485 0.001021 True native_MD 7 97 235 CB_AB42_11 CB_AB42_26 1 1.088558e-03 2.872720e-06 ; 3.717409e-01 1.031216e-01 1.307137e-03 8.197197e-04 0.000485 0.001190 True native_MD 7 97 236 - CB_AB42_11 OG_AB42_26 1 0.000000e+00 2.782027e-06 ; 3.068022e-01 -2.782027e-06 1.170889e-03 6.395023e-04 0.000485 0.000060 True native_MD 7 97 237 - CB_AB42_11 C_AB42_26 1 0.000000e+00 6.331252e-06 ; 3.285634e-01 -6.331252e-06 5.275992e-04 9.994960e-05 0.000485 0.000060 True native_MD 7 97 238 + CB_AB42_11 OG_AB42_26 1 0.000000e+00 2.781985e-06 ; 3.068018e-01 -2.781985e-06 1.170889e-03 6.395023e-04 0.000485 0.000060 True native_MD 7 97 237 + CB_AB42_11 C_AB42_26 1 0.000000e+00 6.331146e-06 ; 3.285629e-01 -6.331146e-06 5.275992e-04 9.994960e-05 0.000485 0.000060 True native_MD 7 97 238 CB_AB42_11 O_AB42_26 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 6.937150e-05 2.013326e-04 0.000485 0.001191 True native_MD 7 97 239 - CB_AB42_11 N_AB42_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 240 + CB_AB42_11 N_AB42_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 240 CB_AB42_11 CA_AB42_27 1 4.843674e-03 5.626035e-05 ; 4.758878e-01 1.042527e-01 1.352140e-03 3.902995e-04 0.000485 0.001021 True native_MD 7 97 242 CB_AB42_11 CB_AB42_27 1 1.704205e-03 6.548282e-06 ; 3.957622e-01 1.108808e-01 1.648784e-03 4.588039e-04 0.000485 0.001190 True native_MD 7 97 243 - CB_AB42_11 CG_AB42_27 1 0.000000e+00 6.330841e-06 ; 3.285616e-01 -6.330841e-06 1.019595e-03 5.270142e-04 0.000485 0.000060 True native_MD 7 97 244 + CB_AB42_11 CG_AB42_27 1 0.000000e+00 6.330735e-06 ; 3.285611e-01 -6.330735e-06 1.019595e-03 5.270142e-04 0.000485 0.000060 True native_MD 7 97 244 CB_AB42_11 OD1_AB42_27 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 3.897205e-04 3.411681e-04 0.000485 0.001191 True native_MD 7 97 245 - CB_AB42_11 ND2_AB42_27 1 0.000000e+00 6.324167e-06 ; 3.285327e-01 -6.324167e-06 1.922554e-03 8.406797e-04 0.000485 0.000060 True native_MD 7 97 246 - CB_AB42_11 C_AB42_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 247 + CB_AB42_11 ND2_AB42_27 1 0.000000e+00 6.324131e-06 ; 3.285326e-01 -6.324131e-06 1.922554e-03 8.406797e-04 0.000485 0.000060 True native_MD 7 97 246 + CB_AB42_11 C_AB42_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 247 CB_AB42_11 O_AB42_27 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 1.049786e-04 1.504425e-04 0.000485 0.001191 True native_MD 7 97 248 CB_AB42_11 N_AB42_28 1 1.296251e-03 4.743033e-06 ; 3.925496e-01 8.856497e-02 8.455376e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 97 249 CB_AB42_11 CA_AB42_28 1 3.130837e-03 1.904070e-05 ; 4.272385e-01 1.286999e-01 2.810304e-03 5.185988e-04 0.000485 0.001021 True native_MD 7 97 251 @@ -24373,14 +24373,14 @@ CE2_AB42_10 O2_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592 CB_AB42_11 CG_AB42_28 1 2.127997e-03 8.430592e-06 ; 3.977845e-01 1.342839e-01 3.321439e-03 4.380405e-04 0.000485 0.001190 True native_MD 7 97 253 CB_AB42_11 CD_AB42_28 1 1.669458e-03 4.868962e-06 ; 3.779869e-01 1.431050e-01 4.324854e-03 6.996798e-04 0.000485 0.001190 True native_MD 7 97 254 CB_AB42_11 CE_AB42_28 1 2.581763e-03 1.117571e-05 ; 4.037010e-01 1.491069e-01 5.379020e-03 1.236966e-03 0.000485 0.001190 True native_MD 7 97 255 - CB_AB42_11 NZ_AB42_28 1 0.000000e+00 3.663993e-06 ; 3.139240e-01 -3.663993e-06 3.920343e-03 6.318837e-04 0.000485 0.000060 True native_MD 7 97 256 + CB_AB42_11 NZ_AB42_28 1 0.000000e+00 3.663945e-06 ; 3.139237e-01 -3.663945e-06 3.920343e-03 6.318837e-04 0.000485 0.000060 True native_MD 7 97 256 CB_AB42_11 C_AB42_28 1 1.499513e-03 6.908878e-06 ; 4.079211e-01 8.136413e-02 2.167834e-03 1.899169e-04 0.000485 0.000060 True native_MD 7 97 257 CB_AB42_11 O_AB42_28 1 5.983195e-04 9.090601e-07 ; 3.390600e-01 9.844953e-02 1.136578e-03 2.739698e-04 0.000485 0.001191 True native_MD 7 97 258 CB_AB42_11 N_AB42_29 1 9.681638e-04 2.297556e-06 ; 3.652186e-01 1.019933e-01 2.117045e-03 1.000362e-04 0.000485 0.000060 True native_MD 7 97 259 CB_AB42_11 CA_AB42_29 1 1.391282e-03 3.592247e-06 ; 3.703894e-01 1.347113e-01 3.364199e-03 4.973530e-04 0.000485 0.001190 True native_MD 7 97 261 - CB_AB42_11 C_AB42_29 1 0.000000e+00 6.328066e-06 ; 3.285496e-01 -6.328066e-06 1.162384e-03 2.316604e-04 0.000485 0.000060 True native_MD 7 97 262 + CB_AB42_11 C_AB42_29 1 0.000000e+00 6.327960e-06 ; 3.285491e-01 -6.327960e-06 1.162384e-03 2.316604e-04 0.000485 0.000060 True native_MD 7 97 262 CB_AB42_11 O_AB42_29 1 7.875173e-04 1.350275e-06 ; 3.459609e-01 1.148254e-01 1.855370e-03 4.049269e-04 0.000485 0.001191 True native_MD 7 97 263 - CB_AB42_11 N_AB42_30 1 0.000000e+00 3.674275e-06 ; 3.139973e-01 -3.674275e-06 6.393196e-04 1.477453e-04 0.000485 0.000060 True native_MD 7 97 264 + CB_AB42_11 N_AB42_30 1 0.000000e+00 3.674226e-06 ; 3.139970e-01 -3.674226e-06 6.393196e-04 1.477453e-04 0.000485 0.000060 True native_MD 7 97 264 CB_AB42_11 CA_AB42_30 1 4.096670e-03 2.660542e-05 ; 4.319398e-01 1.577001e-01 6.693583e-03 7.733996e-04 0.000485 0.001021 True native_MD 7 97 266 CB_AB42_11 CB_AB42_30 1 1.171543e-03 2.165254e-06 ; 3.503147e-01 1.584703e-01 6.849663e-03 5.737695e-04 0.000485 0.002332 True native_MD 7 97 267 CB_AB42_11 C_AB42_30 1 2.530895e-03 1.081469e-05 ; 4.028314e-01 1.480724e-01 5.017999e-03 5.003374e-05 0.000485 0.000060 True native_MD 7 97 268 @@ -24391,17 +24391,17 @@ CE2_AB42_10 O2_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592 CB_AB42_11 CG1_AB42_31 1 2.454904e-03 9.217389e-06 ; 3.942414e-01 1.634562e-01 7.951859e-03 1.934707e-04 0.000485 0.001190 True native_MD 7 97 274 CB_AB42_11 CG2_AB42_31 1 1.301352e-03 3.235787e-06 ; 3.680704e-01 1.308428e-01 2.996429e-03 3.523463e-04 0.000485 0.002332 True native_MD 7 97 275 CB_AB42_11 CD_AB42_31 1 1.772761e-03 4.824438e-06 ; 3.736509e-01 1.628522e-01 7.809438e-03 5.228278e-04 0.000485 0.002332 True native_MD 7 97 276 - CB_AB42_11 C_AB42_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 277 + CB_AB42_11 C_AB42_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 277 CB_AB42_11 O_AB42_31 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 2.738770e-04 4.730539e-05 0.000485 0.001191 True native_MD 7 97 278 - CB_AB42_11 N_AB42_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 279 + CB_AB42_11 N_AB42_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 279 CB_AB42_11 CA_AB42_32 1 4.193904e-03 3.856883e-05 ; 4.577233e-01 1.140094e-01 1.810612e-03 2.355448e-04 0.000485 0.001021 True native_MD 7 97 281 CB_AB42_11 CB_AB42_32 1 4.531422e-03 3.773440e-05 ; 4.502121e-01 1.360415e-01 3.500820e-03 5.156260e-04 0.000485 0.001021 True native_MD 7 97 282 CB_AB42_11 CG1_AB42_32 1 2.323829e-03 1.012074e-05 ; 4.041117e-01 1.333939e-01 3.234141e-03 5.485987e-04 0.000485 0.001190 True native_MD 7 97 283 CB_AB42_11 CG2_AB42_32 1 1.738977e-03 5.601328e-06 ; 3.842963e-01 1.349698e-01 3.390326e-03 5.552159e-04 0.000485 0.002332 True native_MD 7 97 284 CB_AB42_11 CD_AB42_32 1 1.453773e-03 3.571943e-06 ; 3.673398e-01 1.479206e-01 4.995256e-03 1.159537e-03 0.000485 0.002332 True native_MD 7 97 285 - CB_AB42_11 C_AB42_32 1 0.000000e+00 6.329487e-06 ; 3.285557e-01 -6.329487e-06 8.774248e-04 1.710046e-04 0.000485 0.000060 True native_MD 7 97 286 + CB_AB42_11 C_AB42_32 1 0.000000e+00 6.329380e-06 ; 3.285553e-01 -6.329380e-06 8.774248e-04 1.710046e-04 0.000485 0.000060 True native_MD 7 97 286 CB_AB42_11 O_AB42_32 1 6.817104e-04 1.140949e-06 ; 3.445702e-01 1.018295e-01 1.257555e-03 2.267973e-04 0.000485 0.001191 True native_MD 7 97 287 - CB_AB42_11 N_AB42_33 1 0.000000e+00 3.673974e-06 ; 3.139952e-01 -3.673974e-06 7.217748e-04 1.483985e-04 0.000485 0.000060 True native_MD 7 97 288 + CB_AB42_11 N_AB42_33 1 0.000000e+00 3.673926e-06 ; 3.139949e-01 -3.673926e-06 7.217748e-04 1.483985e-04 0.000485 0.000060 True native_MD 7 97 288 CB_AB42_11 CA_AB42_33 1 1.859109e-03 5.889181e-06 ; 3.832290e-01 1.467218e-01 4.819231e-03 6.421492e-04 0.000485 0.001190 True native_MD 7 97 290 CB_AB42_11 C_AB42_33 1 1.208419e-03 3.736253e-06 ; 3.816833e-01 9.770990e-02 3.285397e-03 1.764757e-04 0.000485 0.000060 True native_MD 7 97 291 CB_AB42_11 O_AB42_33 1 6.287390e-04 8.371815e-07 ; 3.316843e-01 1.180487e-01 2.043257e-03 2.427646e-04 0.000485 0.001191 True native_MD 7 97 292 @@ -24443,7 +24443,7 @@ CE2_AB42_10 O2_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592 CB_AB42_11 CG2_AB42_39 1 1.713169e-03 4.260070e-06 ; 3.680748e-01 1.722359e-01 1.034132e-02 4.669651e-04 0.000485 0.002332 True native_MD 7 97 334 CB_AB42_11 C_AB42_39 1 1.137756e-03 4.110144e-06 ; 3.917130e-01 7.873739e-02 6.300965e-04 4.995975e-05 0.000485 0.000060 True native_MD 7 97 335 CB_AB42_11 O_AB42_39 1 3.715790e-04 4.133820e-07 ; 3.218969e-01 8.350084e-02 7.266346e-04 5.000881e-05 0.000485 0.001191 True native_MD 7 97 336 - CB_AB42_11 N_AB42_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 337 + CB_AB42_11 N_AB42_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 337 CB_AB42_11 CA_AB42_40 1 4.362871e-03 4.028371e-05 ; 4.580288e-01 1.181287e-01 2.048155e-03 1.993422e-04 0.000485 0.001021 True native_MD 7 97 339 CB_AB42_11 CB_AB42_40 1 2.658166e-03 1.241627e-05 ; 4.088539e-01 1.422700e-01 4.218119e-03 3.381363e-04 0.000485 0.001021 True native_MD 7 97 340 CB_AB42_11 CG1_AB42_40 1 1.285938e-03 3.097419e-06 ; 3.661255e-01 1.334689e-01 3.241409e-03 5.094858e-04 0.000485 0.002332 True native_MD 7 97 341 @@ -24456,53 +24456,53 @@ CE2_AB42_10 O2_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592 CB_AB42_11 CG1_AB42_41 1 1.872121e-03 6.445676e-06 ; 3.885877e-01 1.359375e-01 3.489937e-03 2.907353e-04 0.000485 0.001190 True native_MD 7 97 349 CB_AB42_11 CG2_AB42_41 1 9.052749e-04 1.616508e-06 ; 3.483102e-01 1.267428e-01 2.650434e-03 6.494527e-04 0.000485 0.002332 True native_MD 7 97 350 CB_AB42_11 CD_AB42_41 1 1.308479e-03 2.953937e-06 ; 3.621922e-01 1.449012e-01 4.563695e-03 6.921850e-04 0.000485 0.002332 True native_MD 7 97 351 - CB_AB42_11 C_AB42_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 352 + CB_AB42_11 C_AB42_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 352 CB_AB42_11 O_AB42_41 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 2.939816e-04 7.620343e-05 0.000485 0.001191 True native_MD 7 97 353 - CB_AB42_11 N_AB42_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 354 + CB_AB42_11 N_AB42_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 354 CB_AB42_11 CA_AB42_42 1 1.971880e-03 1.053075e-05 ; 4.180836e-01 9.230846e-02 9.457704e-04 3.428199e-04 0.000485 0.001021 True native_MD 7 97 356 CB_AB42_11 CB_AB42_42 1 1.190135e-03 3.277326e-06 ; 3.743868e-01 1.080471e-01 1.514730e-03 4.211492e-04 0.000485 0.002332 True native_MD 7 97 357 - CB_AB42_11 C_AB42_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 358 - CB_AB42_11 O1_AB42_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 359 - CB_AB42_11 O2_AB42_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 360 - CG_AB42_11 CD_AB42_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 99 - CG_AB42_11 OE1_AB42_11 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 100 - CG_AB42_11 OE2_AB42_11 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 101 - CG_AB42_11 C_AB42_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 102 - CG_AB42_11 O_AB42_11 1 0.000000e+00 1.980156e-06 ; 2.982313e-01 -1.980156e-06 9.751243e-01 9.575123e-01 0.000485 0.000060 True native_MD 4 98 103 - CG_AB42_11 N_AB42_12 1 0.000000e+00 3.718001e-06 ; 3.143071e-01 -3.718001e-06 9.695310e-01 9.809343e-01 0.000485 0.000060 True native_MD 4 98 104 - CG_AB42_11 CA_AB42_12 1 0.000000e+00 3.165941e-05 ; 3.757251e-01 -3.165941e-05 7.100555e-01 7.052071e-01 0.000485 0.000060 True native_MD 5 98 106 - CG_AB42_11 CB_AB42_12 1 0.000000e+00 2.758853e-05 ; 3.714403e-01 -2.758853e-05 3.769069e-01 2.440983e-01 0.000485 0.000060 True native_MD 6 98 107 + CB_AB42_11 C_AB42_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 358 + CB_AB42_11 O1_AB42_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 359 + CB_AB42_11 O2_AB42_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 360 + CG_AB42_11 CD_AB42_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 99 + CG_AB42_11 OE1_AB42_11 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 100 + CG_AB42_11 OE2_AB42_11 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 101 + CG_AB42_11 C_AB42_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 102 + CG_AB42_11 O_AB42_11 1 0.000000e+00 1.980149e-06 ; 2.982313e-01 -1.980149e-06 9.751243e-01 9.575123e-01 0.000485 0.000060 True native_MD 4 98 103 + CG_AB42_11 N_AB42_12 1 0.000000e+00 3.717952e-06 ; 3.143067e-01 -3.717952e-06 9.695310e-01 9.809343e-01 0.000485 0.000060 True native_MD 4 98 104 + CG_AB42_11 CA_AB42_12 1 0.000000e+00 3.165927e-05 ; 3.757250e-01 -3.165927e-05 7.100555e-01 7.052071e-01 0.000485 0.000060 True native_MD 5 98 106 + CG_AB42_11 CB_AB42_12 1 0.000000e+00 2.758841e-05 ; 3.714402e-01 -2.758841e-05 3.769069e-01 2.440983e-01 0.000485 0.000060 True native_MD 6 98 107 CG_AB42_11 CG1_AB42_12 1 1.792721e-03 6.054638e-06 ; 3.873432e-01 1.327020e-01 1.188357e-01 8.747925e-02 0.000485 0.002332 True native_MD 7 98 108 CG_AB42_11 CG2_AB42_12 1 1.681658e-03 5.315258e-06 ; 3.830873e-01 1.330120e-01 1.674303e-01 1.221134e-01 0.000485 0.002332 True native_MD 7 98 109 - CG_AB42_11 C_AB42_12 1 0.000000e+00 5.640891e-06 ; 3.254173e-01 -5.640891e-06 2.109964e-01 1.015752e-01 0.000485 0.000060 True native_MD 6 98 110 + CG_AB42_11 C_AB42_12 1 0.000000e+00 5.640797e-06 ; 3.254169e-01 -5.640797e-06 2.109964e-01 1.015752e-01 0.000485 0.000060 True native_MD 6 98 110 CG_AB42_11 O_AB42_12 1 5.973235e-04 9.080048e-07 ; 3.390885e-01 9.823608e-02 6.315601e-02 6.657936e-02 0.000485 0.001191 True native_MD 7 98 111 - CG_AB42_11 N_AB42_13 1 0.000000e+00 3.208572e-06 ; 3.104710e-01 -3.208572e-06 1.622429e-01 3.506686e-02 0.000485 0.000060 True native_MD 7 98 112 + CG_AB42_11 N_AB42_13 1 0.000000e+00 3.208530e-06 ; 3.104706e-01 -3.208530e-06 1.622429e-01 3.506686e-02 0.000485 0.000060 True native_MD 7 98 112 CG_AB42_11 CA_AB42_13 1 2.218993e-03 9.470721e-06 ; 4.027521e-01 1.299777e-01 1.903135e-01 6.654332e-02 0.000485 0.001021 True native_MD 7 98 114 CG_AB42_11 CB_AB42_13 1 1.571329e-03 4.366662e-06 ; 3.749561e-01 1.413593e-01 1.388048e-01 4.024872e-02 0.000485 0.001190 True native_MD 7 98 115 - CG_AB42_11 CG_AB42_13 1 0.000000e+00 5.742005e-06 ; 3.258995e-01 -5.742005e-06 1.206095e-01 2.715197e-02 0.000485 0.000060 True native_MD 7 98 116 - CG_AB42_11 ND1_AB42_13 1 0.000000e+00 3.603133e-06 ; 3.134862e-01 -3.603133e-06 2.889455e-01 3.609869e-02 0.000485 0.000060 True native_MD 7 98 117 + CG_AB42_11 CG_AB42_13 1 0.000000e+00 5.741908e-06 ; 3.258990e-01 -5.741908e-06 1.206095e-01 2.715197e-02 0.000485 0.000060 True native_MD 7 98 116 + CG_AB42_11 ND1_AB42_13 1 0.000000e+00 3.603071e-06 ; 3.134857e-01 -3.603071e-06 2.889455e-01 3.609869e-02 0.000485 0.000060 True native_MD 7 98 117 CG_AB42_11 CD2_AB42_13 1 1.178326e-03 2.190982e-06 ; 3.506675e-01 1.584280e-01 1.167680e-01 3.980727e-02 0.000485 0.002332 True native_MD 7 98 118 CG_AB42_11 CE1_AB42_13 1 8.662189e-04 1.013953e-06 ; 3.246373e-01 1.850025e-01 3.484630e-01 5.363105e-02 0.000485 0.002332 True native_MD 7 98 119 - CG_AB42_11 NE2_AB42_13 1 0.000000e+00 3.786711e-06 ; 3.147870e-01 -3.786711e-06 2.599762e-01 4.519631e-02 0.000485 0.000060 True native_MD 7 98 120 - CG_AB42_11 C_AB42_13 1 0.000000e+00 5.726656e-06 ; 3.258268e-01 -5.726656e-06 1.114483e-01 1.556759e-02 0.000485 0.000060 True native_MD 7 98 121 + CG_AB42_11 NE2_AB42_13 1 0.000000e+00 3.786645e-06 ; 3.147866e-01 -3.786645e-06 2.599762e-01 4.519631e-02 0.000485 0.000060 True native_MD 7 98 120 + CG_AB42_11 C_AB42_13 1 0.000000e+00 5.726560e-06 ; 3.258263e-01 -5.726560e-06 1.114483e-01 1.556759e-02 0.000485 0.000060 True native_MD 7 98 121 CG_AB42_11 O_AB42_13 1 5.107769e-04 4.584586e-07 ; 3.105833e-01 1.422664e-01 5.476577e-02 1.545918e-02 0.000485 0.001191 True native_MD 7 98 122 CG_AB42_11 N_AB42_14 1 5.068768e-04 8.441615e-07 ; 3.442869e-01 7.608855e-02 9.536124e-02 9.783054e-03 0.000485 0.000060 True native_MD 7 98 123 CG_AB42_11 CA_AB42_14 1 2.390884e-03 9.526440e-06 ; 3.981640e-01 1.500122e-01 1.552953e-01 2.981338e-02 0.000485 0.001021 True native_MD 7 98 125 CG_AB42_11 CB_AB42_14 1 1.620200e-03 3.992921e-06 ; 3.675251e-01 1.643563e-01 2.547023e-01 3.711044e-02 0.000485 0.001190 True native_MD 7 98 126 CG_AB42_11 CG_AB42_14 1 1.065330e-03 3.665036e-06 ; 3.885370e-01 7.741588e-02 1.829941e-01 1.804217e-02 0.000485 0.000060 True native_MD 7 98 127 - CG_AB42_11 ND1_AB42_14 1 0.000000e+00 4.349970e-06 ; 3.184458e-01 -4.349970e-06 1.203739e-01 2.239265e-02 0.000485 0.000060 True native_MD 7 98 128 + CG_AB42_11 ND1_AB42_14 1 0.000000e+00 4.349894e-06 ; 3.184453e-01 -4.349894e-06 1.203739e-01 2.239265e-02 0.000485 0.000060 True native_MD 7 98 128 CG_AB42_11 CD2_AB42_14 1 1.598161e-03 3.218381e-06 ; 3.553608e-01 1.984008e-01 2.695272e-01 2.777977e-02 0.000485 0.002332 True native_MD 7 98 129 CG_AB42_11 CE1_AB42_14 1 7.692125e-04 8.467373e-07 ; 3.213293e-01 1.746964e-01 1.306664e-01 2.737587e-02 0.000485 0.002332 True native_MD 7 98 130 - CG_AB42_11 NE2_AB42_14 1 0.000000e+00 4.061900e-06 ; 3.166327e-01 -4.061900e-06 1.802491e-01 2.253301e-02 0.000485 0.000060 True native_MD 7 98 131 - CG_AB42_11 C_AB42_14 1 0.000000e+00 6.177030e-06 ; 3.278888e-01 -6.177030e-06 2.909634e-02 4.320188e-03 0.000485 0.000060 True native_MD 7 98 132 + CG_AB42_11 NE2_AB42_14 1 0.000000e+00 4.061829e-06 ; 3.166322e-01 -4.061829e-06 1.802491e-01 2.253301e-02 0.000485 0.000060 True native_MD 7 98 131 + CG_AB42_11 C_AB42_14 1 0.000000e+00 6.176926e-06 ; 3.278884e-01 -6.176926e-06 2.909634e-02 4.320188e-03 0.000485 0.000060 True native_MD 7 98 132 CG_AB42_11 O_AB42_14 1 5.378560e-04 4.702959e-07 ; 3.092318e-01 1.537803e-01 2.174800e-02 4.349647e-03 0.000485 0.001191 True native_MD 7 98 133 CG_AB42_11 N_AB42_15 1 6.357311e-04 1.330315e-06 ; 3.576406e-01 7.595085e-02 1.591014e-02 1.638952e-03 0.000485 0.000060 True native_MD 7 98 134 CG_AB42_11 CA_AB42_15 1 2.905224e-03 1.444390e-05 ; 4.131276e-01 1.460880e-01 3.695033e-02 7.977594e-03 0.000485 0.001021 True native_MD 7 98 136 CG_AB42_11 CB_AB42_15 1 2.075336e-03 7.128452e-06 ; 3.884345e-01 1.510503e-01 3.593850e-02 7.797538e-03 0.000485 0.001190 True native_MD 7 98 137 CG_AB42_11 CG_AB42_15 1 2.203858e-03 7.702325e-06 ; 3.895588e-01 1.576468e-01 8.262935e-02 1.471630e-02 0.000485 0.001190 True native_MD 7 98 138 - CG_AB42_11 CD_AB42_15 1 0.000000e+00 5.996412e-06 ; 3.270790e-01 -5.996412e-06 6.419631e-02 1.090445e-02 0.000485 0.000060 True native_MD 7 98 139 + CG_AB42_11 CD_AB42_15 1 0.000000e+00 5.996312e-06 ; 3.270785e-01 -5.996312e-06 6.419631e-02 1.090445e-02 0.000485 0.000060 True native_MD 7 98 139 CG_AB42_11 OE1_AB42_15 1 1.055203e-03 1.675734e-06 ; 3.415688e-01 1.661143e-01 5.311786e-02 7.344714e-03 0.000485 0.001191 True native_MD 7 98 140 - CG_AB42_11 NE2_AB42_15 1 0.000000e+00 6.106870e-06 ; 3.275769e-01 -6.106870e-06 5.062215e-02 1.521776e-02 0.000485 0.000060 True native_MD 7 98 141 + CG_AB42_11 NE2_AB42_15 1 0.000000e+00 6.106836e-06 ; 3.275767e-01 -6.106836e-06 5.062215e-02 1.521776e-02 0.000485 0.000060 True native_MD 7 98 141 CG_AB42_11 C_AB42_15 1 1.265303e-03 4.724782e-06 ; 3.938806e-01 8.471241e-02 7.012390e-03 5.557599e-04 0.000485 0.000060 True native_MD 7 98 142 CG_AB42_11 O_AB42_15 1 4.792255e-04 4.033520e-07 ; 3.072727e-01 1.423428e-01 4.227327e-03 7.806167e-04 0.000485 0.001191 True native_MD 7 98 143 CG_AB42_11 N_AB42_16 1 7.052048e-04 1.302489e-06 ; 3.502755e-01 9.545450e-02 5.859287e-03 3.367088e-04 0.000485 0.000060 True native_MD 7 98 144 @@ -24511,8 +24511,8 @@ CE2_AB42_10 O2_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592 CG_AB42_11 CG_AB42_16 1 2.134827e-03 7.365349e-06 ; 3.887214e-01 1.546935e-01 2.969427e-02 5.777233e-03 0.000485 0.001190 True native_MD 7 98 148 CG_AB42_11 CD_AB42_16 1 1.737469e-03 5.064089e-06 ; 3.779469e-01 1.490296e-01 3.840767e-02 8.852734e-03 0.000485 0.001190 True native_MD 7 98 149 CG_AB42_11 CE_AB42_16 1 1.814907e-03 5.319717e-06 ; 3.783023e-01 1.547963e-01 5.535857e-02 1.073735e-02 0.000485 0.001190 True native_MD 7 98 150 - CG_AB42_11 NZ_AB42_16 1 0.000000e+00 3.519375e-06 ; 3.128723e-01 -3.519375e-06 5.013693e-02 7.508212e-03 0.000485 0.000060 True native_MD 7 98 151 - CG_AB42_11 C_AB42_16 1 0.000000e+00 6.318200e-06 ; 3.285069e-01 -6.318200e-06 3.035370e-03 5.470088e-04 0.000485 0.000060 True native_MD 7 98 152 + CG_AB42_11 NZ_AB42_16 1 0.000000e+00 3.519329e-06 ; 3.128720e-01 -3.519329e-06 5.013693e-02 7.508212e-03 0.000485 0.000060 True native_MD 7 98 151 + CG_AB42_11 C_AB42_16 1 0.000000e+00 6.318094e-06 ; 3.285064e-01 -6.318094e-06 3.035370e-03 5.470088e-04 0.000485 0.000060 True native_MD 7 98 152 CG_AB42_11 O_AB42_16 1 4.833540e-04 5.423109e-07 ; 3.223521e-01 1.077016e-01 1.499152e-03 7.945307e-04 0.000485 0.001191 True native_MD 7 98 153 CG_AB42_11 N_AB42_17 1 1.089639e-03 2.397898e-06 ; 3.606545e-01 1.237868e-01 2.426048e-03 5.127969e-05 0.000485 0.000060 True native_MD 7 98 154 CG_AB42_11 CA_AB42_17 1 2.422900e-03 1.220279e-05 ; 4.140193e-01 1.202685e-01 4.108439e-03 1.920874e-03 0.000485 0.001021 True native_MD 7 98 156 @@ -24520,16 +24520,16 @@ CE2_AB42_10 O2_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592 CG_AB42_11 CG_AB42_17 1 2.573649e-03 1.595388e-05 ; 4.286007e-01 1.037940e-01 7.856000e-03 6.013632e-03 0.000485 0.001021 True native_MD 7 98 158 CG_AB42_11 CD1_AB42_17 1 1.153666e-03 2.796595e-06 ; 3.665148e-01 1.189791e-01 6.029435e-03 6.692467e-03 0.000485 0.002332 True native_MD 7 98 159 CG_AB42_11 CD2_AB42_17 1 1.404252e-03 3.880108e-06 ; 3.745989e-01 1.270534e-01 6.241675e-03 5.440911e-03 0.000485 0.002332 True native_MD 7 98 160 - CG_AB42_11 C_AB42_17 1 0.000000e+00 6.327618e-06 ; 3.285476e-01 -6.327618e-06 1.424089e-03 4.226027e-04 0.000485 0.000060 True native_MD 7 98 161 + CG_AB42_11 C_AB42_17 1 0.000000e+00 6.327511e-06 ; 3.285472e-01 -6.327511e-06 1.424089e-03 4.226027e-04 0.000485 0.000060 True native_MD 7 98 161 CG_AB42_11 O_AB42_17 1 6.022837e-04 1.079040e-06 ; 3.485027e-01 8.404359e-02 7.385331e-04 6.631883e-04 0.000485 0.001191 True native_MD 7 98 162 - CG_AB42_11 N_AB42_18 1 0.000000e+00 3.673521e-06 ; 3.139920e-01 -3.673521e-06 8.565971e-04 1.601258e-04 0.000485 0.000060 True native_MD 7 98 163 + CG_AB42_11 N_AB42_18 1 0.000000e+00 3.673473e-06 ; 3.139916e-01 -3.673473e-06 8.565971e-04 1.601258e-04 0.000485 0.000060 True native_MD 7 98 163 CG_AB42_11 CA_AB42_18 1 2.911284e-03 2.245906e-05 ; 4.445130e-01 9.434473e-02 2.237775e-03 2.272796e-03 0.000485 0.001021 True native_MD 7 98 165 CG_AB42_11 CB_AB42_18 1 1.799760e-03 8.295720e-06 ; 4.079497e-01 9.761472e-02 4.917048e-03 4.528450e-03 0.000485 0.001021 True native_MD 7 98 166 CG_AB42_11 CG1_AB42_18 1 1.407105e-03 3.829990e-06 ; 3.736616e-01 1.292396e-01 4.333395e-03 3.538231e-03 0.000485 0.002332 True native_MD 7 98 167 CG_AB42_11 CG2_AB42_18 1 1.227214e-03 3.073757e-06 ; 3.685176e-01 1.224929e-01 4.636402e-03 4.632582e-03 0.000485 0.002332 True native_MD 7 98 168 - CG_AB42_11 C_AB42_18 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 169 + CG_AB42_11 C_AB42_18 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 169 CG_AB42_11 O_AB42_18 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 4.496420e-06 3.255672e-04 0.000485 0.001191 True native_MD 7 98 170 - CG_AB42_11 N_AB42_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 171 + CG_AB42_11 N_AB42_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 171 CG_AB42_11 CA_AB42_19 1 2.872962e-03 2.386748e-05 ; 4.500348e-01 8.645560e-02 1.543661e-03 1.985310e-03 0.000485 0.001021 True native_MD 7 98 173 CG_AB42_11 CB_AB42_19 1 1.102762e-03 3.465489e-06 ; 3.827194e-01 8.772812e-02 2.136181e-03 3.083276e-03 0.000485 0.001190 True native_MD 7 98 174 CG_AB42_11 CG_AB42_19 1 1.864572e-03 7.069311e-06 ; 3.948811e-01 1.229480e-01 2.365907e-03 2.092625e-03 0.000485 0.002332 True native_MD 7 98 175 @@ -24538,9 +24538,9 @@ CE2_AB42_10 O2_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592 CG_AB42_11 CE1_AB42_19 1 8.831504e-04 1.792798e-06 ; 3.558356e-01 1.087622e-01 4.031409e-03 6.075551e-03 0.000485 0.002332 True native_MD 7 98 178 CG_AB42_11 CE2_AB42_19 1 8.831504e-04 1.792798e-06 ; 3.558356e-01 1.087622e-01 4.031409e-03 6.075551e-03 0.000485 0.002332 True native_MD 7 98 179 CG_AB42_11 CZ_AB42_19 1 8.015730e-04 1.471733e-06 ; 3.499299e-01 1.091433e-01 4.687203e-03 6.983771e-03 0.000485 0.002332 True native_MD 7 98 180 - CG_AB42_11 C_AB42_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 181 + CG_AB42_11 C_AB42_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 181 CG_AB42_11 O_AB42_19 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 1.007472e-04 5.845461e-04 0.000485 0.001191 True native_MD 7 98 182 - CG_AB42_11 N_AB42_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 183 + CG_AB42_11 N_AB42_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 183 CG_AB42_11 CA_AB42_20 1 5.160167e-03 6.770487e-05 ; 4.856529e-01 9.832130e-02 1.702529e-03 1.535170e-03 0.000485 0.001021 True native_MD 7 98 185 CG_AB42_11 CB_AB42_20 1 1.052058e-03 2.653566e-06 ; 3.689479e-01 1.042773e-01 2.270796e-03 1.997418e-03 0.000485 0.001190 True native_MD 7 98 186 CG_AB42_11 CG_AB42_20 1 1.085039e-03 2.571712e-06 ; 3.651429e-01 1.144481e-01 1.834541e-03 1.393622e-03 0.000485 0.002332 True native_MD 7 98 187 @@ -24549,48 +24549,48 @@ CE2_AB42_10 O2_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592 CG_AB42_11 CE1_AB42_20 1 1.144494e-03 2.798237e-06 ; 3.670387e-01 1.170260e-01 4.033470e-03 4.746856e-03 0.000485 0.002332 True native_MD 7 98 190 CG_AB42_11 CE2_AB42_20 1 1.144494e-03 2.798237e-06 ; 3.670387e-01 1.170260e-01 4.033470e-03 4.746856e-03 0.000485 0.002332 True native_MD 7 98 191 CG_AB42_11 CZ_AB42_20 1 1.016887e-03 2.171177e-06 ; 3.588424e-01 1.190666e-01 4.824931e-03 5.341919e-03 0.000485 0.002332 True native_MD 7 98 192 - CG_AB42_11 C_AB42_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 193 + CG_AB42_11 C_AB42_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 193 CG_AB42_11 O_AB42_20 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 2.731030e-04 4.007994e-04 0.000485 0.001191 True native_MD 7 98 194 - CG_AB42_11 N_AB42_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 195 + CG_AB42_11 N_AB42_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 195 CG_AB42_11 CB_AB42_21 1 2.025163e-03 1.383976e-05 ; 4.356236e-01 7.408520e-02 5.482065e-04 2.222160e-03 0.000485 0.002332 True native_MD 7 98 198 - CG_AB42_11 C_AB42_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 199 + CG_AB42_11 C_AB42_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 199 CG_AB42_11 O_AB42_21 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.797299e-04 0.000485 0.001191 True native_MD 7 98 200 - CG_AB42_11 N_AB42_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 201 - CG_AB42_11 CD_AB42_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 206 - CG_AB42_11 OE1_AB42_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 207 - CG_AB42_11 OE2_AB42_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 208 - CG_AB42_11 C_AB42_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 209 + CG_AB42_11 N_AB42_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 201 + CG_AB42_11 CD_AB42_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 206 + CG_AB42_11 OE1_AB42_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 207 + CG_AB42_11 OE2_AB42_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 208 + CG_AB42_11 C_AB42_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 209 CG_AB42_11 O_AB42_22 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.924897e-04 0.000485 0.001191 True native_MD 7 98 210 - CG_AB42_11 N_AB42_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 211 - CG_AB42_11 CG_AB42_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 215 - CG_AB42_11 OD1_AB42_23 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 216 - CG_AB42_11 OD2_AB42_23 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 217 - CG_AB42_11 C_AB42_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 218 + CG_AB42_11 N_AB42_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 211 + CG_AB42_11 CG_AB42_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 215 + CG_AB42_11 OD1_AB42_23 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 216 + CG_AB42_11 OD2_AB42_23 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 217 + CG_AB42_11 C_AB42_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 218 CG_AB42_11 O_AB42_23 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 1.752937e-04 1.411579e-04 0.000485 0.001191 True native_MD 7 98 219 - CG_AB42_11 N_AB42_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 220 + CG_AB42_11 N_AB42_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 220 CG_AB42_11 CA_AB42_24 1 2.313955e-03 1.125443e-05 ; 4.116184e-01 1.189396e-01 2.098464e-03 9.205968e-04 0.000485 0.001021 True native_MD 7 98 222 CG_AB42_11 CB_AB42_24 1 2.056308e-03 9.732524e-06 ; 4.097537e-01 1.086152e-01 2.366341e-03 1.568024e-03 0.000485 0.001021 True native_MD 7 98 223 CG_AB42_11 CG1_AB42_24 1 1.690302e-03 5.619276e-06 ; 3.863249e-01 1.271125e-01 2.679926e-03 1.491923e-03 0.000485 0.002332 True native_MD 7 98 224 CG_AB42_11 CG2_AB42_24 1 2.043762e-03 9.993846e-06 ; 4.119872e-01 1.044884e-01 1.361708e-03 1.175119e-03 0.000485 0.002332 True native_MD 7 98 225 - CG_AB42_11 C_AB42_24 1 0.000000e+00 6.329476e-06 ; 3.285557e-01 -6.329476e-06 9.368422e-04 2.287378e-04 0.000485 0.000060 True native_MD 7 98 226 + CG_AB42_11 C_AB42_24 1 0.000000e+00 6.329370e-06 ; 3.285552e-01 -6.329370e-06 9.368422e-04 2.287378e-04 0.000485 0.000060 True native_MD 7 98 226 CG_AB42_11 O_AB42_24 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 4.344921e-04 2.978003e-04 0.000485 0.001191 True native_MD 7 98 227 - CG_AB42_11 N_AB42_25 1 0.000000e+00 3.670824e-06 ; 3.139728e-01 -3.670824e-06 1.824256e-03 3.940203e-04 0.000485 0.000060 True native_MD 7 98 228 + CG_AB42_11 N_AB42_25 1 0.000000e+00 3.670776e-06 ; 3.139724e-01 -3.670776e-06 1.824256e-03 3.940203e-04 0.000485 0.000060 True native_MD 7 98 228 CG_AB42_11 CA_AB42_25 1 1.428452e-03 3.863463e-06 ; 3.732661e-01 1.320367e-01 3.105419e-03 1.174531e-03 0.000485 0.001190 True native_MD 7 98 230 - CG_AB42_11 C_AB42_25 1 0.000000e+00 6.322547e-06 ; 3.285257e-01 -6.322547e-06 2.209924e-03 4.078502e-04 0.000485 0.000060 True native_MD 7 98 231 + CG_AB42_11 C_AB42_25 1 0.000000e+00 6.322441e-06 ; 3.285252e-01 -6.322441e-06 2.209924e-03 4.078502e-04 0.000485 0.000060 True native_MD 7 98 231 CG_AB42_11 O_AB42_25 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 232 CG_AB42_11 N_AB42_26 1 1.032738e-03 3.803597e-06 ; 3.929772e-01 7.010131e-02 1.007840e-03 1.236825e-04 0.000485 0.000060 True native_MD 7 98 233 CG_AB42_11 CA_AB42_26 1 3.577509e-03 2.435220e-05 ; 4.353377e-01 1.313903e-01 3.045928e-03 7.027525e-04 0.000485 0.001021 True native_MD 7 98 235 CG_AB42_11 CB_AB42_26 1 1.629883e-03 6.022189e-06 ; 3.931875e-01 1.102804e-01 1.619428e-03 1.153179e-03 0.000485 0.001190 True native_MD 7 98 236 - CG_AB42_11 OG_AB42_26 1 0.000000e+00 2.781213e-06 ; 3.067947e-01 -2.781213e-06 1.412647e-03 5.890166e-04 0.000485 0.000060 True native_MD 7 98 237 - CG_AB42_11 C_AB42_26 1 0.000000e+00 6.330200e-06 ; 3.285588e-01 -6.330200e-06 7.340539e-04 1.402998e-04 0.000485 0.000060 True native_MD 7 98 238 + CG_AB42_11 OG_AB42_26 1 0.000000e+00 2.781172e-06 ; 3.067943e-01 -2.781172e-06 1.412647e-03 5.890166e-04 0.000485 0.000060 True native_MD 7 98 237 + CG_AB42_11 C_AB42_26 1 0.000000e+00 6.330094e-06 ; 3.285584e-01 -6.330094e-06 7.340539e-04 1.402998e-04 0.000485 0.000060 True native_MD 7 98 238 CG_AB42_11 O_AB42_26 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 1.377956e-04 2.399699e-04 0.000485 0.001191 True native_MD 7 98 239 CG_AB42_11 N_AB42_27 1 1.345148e-03 4.231751e-06 ; 3.827880e-01 1.068957e-01 1.463429e-03 2.073954e-05 0.000485 0.000060 True native_MD 7 98 240 CG_AB42_11 CA_AB42_27 1 3.824512e-03 3.016265e-05 ; 4.461514e-01 1.212335e-01 2.247576e-03 2.590518e-04 0.000485 0.001021 True native_MD 7 98 242 CG_AB42_11 CB_AB42_27 1 1.238929e-03 3.070029e-06 ; 3.678601e-01 1.249943e-01 2.515318e-03 5.509908e-04 0.000485 0.001190 True native_MD 7 98 243 - CG_AB42_11 CG_AB42_27 1 0.000000e+00 6.325914e-06 ; 3.285403e-01 -6.325914e-06 1.771328e-03 5.008831e-04 0.000485 0.000060 True native_MD 7 98 244 + CG_AB42_11 CG_AB42_27 1 0.000000e+00 6.325808e-06 ; 3.285398e-01 -6.325808e-06 1.771328e-03 5.008831e-04 0.000485 0.000060 True native_MD 7 98 244 CG_AB42_11 OD1_AB42_27 1 4.029960e-04 5.286409e-07 ; 3.308593e-01 7.680345e-02 5.946649e-04 3.068044e-04 0.000485 0.001191 True native_MD 7 98 245 - CG_AB42_11 ND2_AB42_27 1 0.000000e+00 6.321135e-06 ; 3.285196e-01 -6.321135e-06 2.678593e-03 1.117869e-03 0.000485 0.000060 True native_MD 7 98 246 - CG_AB42_11 C_AB42_27 1 0.000000e+00 6.329887e-06 ; 3.285575e-01 -6.329887e-06 7.431138e-04 9.998377e-05 0.000485 0.000060 True native_MD 7 98 247 + CG_AB42_11 ND2_AB42_27 1 0.000000e+00 6.321099e-06 ; 3.285194e-01 -6.321099e-06 2.678593e-03 1.117869e-03 0.000485 0.000060 True native_MD 7 98 246 + CG_AB42_11 C_AB42_27 1 0.000000e+00 6.329781e-06 ; 3.285570e-01 -6.329781e-06 7.431138e-04 9.998377e-05 0.000485 0.000060 True native_MD 7 98 247 CG_AB42_11 O_AB42_27 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 1.378034e-04 1.691820e-04 0.000485 0.001191 True native_MD 7 98 248 CG_AB42_11 N_AB42_28 1 1.131667e-03 3.040091e-06 ; 3.728447e-01 1.053152e-01 1.395823e-03 9.173739e-06 0.000485 0.000060 True native_MD 7 98 249 CG_AB42_11 CA_AB42_28 1 3.246309e-03 2.008379e-05 ; 4.284590e-01 1.311819e-01 3.026993e-03 6.744090e-04 0.000485 0.001021 True native_MD 7 98 251 @@ -24603,9 +24603,9 @@ CE2_AB42_10 O2_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592 CG_AB42_11 O_AB42_28 1 9.628656e-04 2.511744e-06 ; 3.710237e-01 9.227752e-02 9.448952e-04 3.405162e-04 0.000485 0.001191 True native_MD 7 98 258 CG_AB42_11 N_AB42_29 1 8.219907e-04 1.470203e-06 ; 3.484055e-01 1.148938e-01 1.859173e-03 9.879989e-07 0.000485 0.000060 True native_MD 7 98 259 CG_AB42_11 CA_AB42_29 1 1.257670e-03 2.994163e-06 ; 3.654137e-01 1.320680e-01 3.108334e-03 7.625458e-04 0.000485 0.001190 True native_MD 7 98 261 - CG_AB42_11 C_AB42_29 1 0.000000e+00 6.316554e-06 ; 3.284997e-01 -6.316554e-06 3.172160e-03 4.239177e-04 0.000485 0.000060 True native_MD 7 98 262 + CG_AB42_11 C_AB42_29 1 0.000000e+00 6.316448e-06 ; 3.284993e-01 -6.316448e-06 3.172160e-03 4.239177e-04 0.000485 0.000060 True native_MD 7 98 262 CG_AB42_11 O_AB42_29 1 8.272953e-04 1.186433e-06 ; 3.358127e-01 1.442175e-01 4.471263e-03 3.999730e-04 0.000485 0.001191 True native_MD 7 98 263 - CG_AB42_11 N_AB42_30 1 0.000000e+00 3.673340e-06 ; 3.139907e-01 -3.673340e-06 8.840546e-04 1.383310e-04 0.000485 0.000060 True native_MD 7 98 264 + CG_AB42_11 N_AB42_30 1 0.000000e+00 3.673292e-06 ; 3.139903e-01 -3.673292e-06 8.840546e-04 1.383310e-04 0.000485 0.000060 True native_MD 7 98 264 CG_AB42_11 CA_AB42_30 1 4.154465e-03 2.761495e-05 ; 4.336156e-01 1.562522e-01 6.668513e-03 1.062143e-03 0.000485 0.001021 True native_MD 7 98 266 CG_AB42_11 CB_AB42_30 1 1.248488e-03 2.484367e-06 ; 3.546543e-01 1.568531e-01 6.526048e-03 9.698658e-04 0.000485 0.002332 True native_MD 7 98 267 CG_AB42_11 C_AB42_30 1 1.946859e-03 6.456433e-06 ; 3.861681e-01 1.467629e-01 4.825166e-03 3.890655e-05 0.000485 0.000060 True native_MD 7 98 268 @@ -24616,17 +24616,17 @@ CE2_AB42_10 O2_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592 CG_AB42_11 CG1_AB42_31 1 1.059087e-03 1.718767e-06 ; 3.428054e-01 1.631496e-01 7.879231e-03 4.032238e-04 0.000485 0.001190 True native_MD 7 98 274 CG_AB42_11 CG2_AB42_31 1 1.323868e-03 3.286993e-06 ; 3.679813e-01 1.333001e-01 3.225075e-03 6.146703e-04 0.000485 0.002332 True native_MD 7 98 275 CG_AB42_11 CD_AB42_31 1 1.483623e-03 3.291083e-06 ; 3.611347e-01 1.672046e-01 8.895813e-03 8.546469e-04 0.000485 0.002332 True native_MD 7 98 276 - CG_AB42_11 C_AB42_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 277 + CG_AB42_11 C_AB42_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 277 CG_AB42_11 O_AB42_31 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 4.225849e-04 6.883409e-05 0.000485 0.001191 True native_MD 7 98 278 - CG_AB42_11 N_AB42_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 279 + CG_AB42_11 N_AB42_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 279 CG_AB42_11 CA_AB42_32 1 2.486862e-03 1.264769e-05 ; 4.146929e-01 1.222453e-01 2.316677e-03 4.748475e-04 0.000485 0.001021 True native_MD 7 98 281 CG_AB42_11 CB_AB42_32 1 3.575721e-03 2.372058e-05 ; 4.334712e-01 1.347541e-01 4.063416e-03 1.231539e-03 0.000485 0.001021 True native_MD 7 98 282 CG_AB42_11 CG1_AB42_32 1 1.692950e-03 5.277680e-06 ; 3.822080e-01 1.357643e-01 3.471893e-03 8.097480e-04 0.000485 0.001190 True native_MD 7 98 283 CG_AB42_11 CG2_AB42_32 1 1.032974e-03 2.011670e-06 ; 3.533821e-01 1.326057e-01 3.158753e-03 9.592137e-04 0.000485 0.002332 True native_MD 7 98 284 CG_AB42_11 CD_AB42_32 1 1.187416e-03 2.539852e-06 ; 3.589502e-01 1.387835e-01 3.800194e-03 1.627278e-03 0.000485 0.002332 True native_MD 7 98 285 - CG_AB42_11 C_AB42_32 1 0.000000e+00 6.326073e-06 ; 3.285410e-01 -6.326073e-06 1.562653e-03 3.173652e-04 0.000485 0.000060 True native_MD 7 98 286 + CG_AB42_11 C_AB42_32 1 0.000000e+00 6.325967e-06 ; 3.285405e-01 -6.325967e-06 1.562653e-03 3.173652e-04 0.000485 0.000060 True native_MD 7 98 286 CG_AB42_11 O_AB42_32 1 7.479978e-04 1.405586e-06 ; 3.512849e-01 9.951378e-02 1.173359e-03 1.808750e-04 0.000485 0.001191 True native_MD 7 98 287 - CG_AB42_11 N_AB42_33 1 0.000000e+00 3.670411e-06 ; 3.139698e-01 -3.670411e-06 1.892919e-03 3.503252e-04 0.000485 0.000060 True native_MD 7 98 288 + CG_AB42_11 N_AB42_33 1 0.000000e+00 3.670363e-06 ; 3.139695e-01 -3.670363e-06 1.892919e-03 3.503252e-04 0.000485 0.000060 True native_MD 7 98 288 CG_AB42_11 CA_AB42_33 1 1.261219e-03 2.589454e-06 ; 3.565083e-01 1.535723e-01 5.915778e-03 1.001498e-03 0.000485 0.001190 True native_MD 7 98 290 CG_AB42_11 C_AB42_33 1 7.074041e-04 1.658139e-06 ; 3.644676e-01 7.544915e-02 3.636582e-03 3.802822e-04 0.000485 0.000060 True native_MD 7 98 291 CG_AB42_11 O_AB42_33 1 4.345919e-04 4.302853e-07 ; 3.157033e-01 1.097354e-01 1.593227e-03 3.444014e-04 0.000485 0.001191 True native_MD 7 98 292 @@ -24659,7 +24659,7 @@ CE2_AB42_10 O2_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592 CG_AB42_11 O_AB42_37 1 6.379536e-04 8.536348e-07 ; 3.319560e-01 1.191917e-01 2.114357e-03 1.244443e-04 0.000485 0.001191 True native_MD 7 98 323 CG_AB42_11 N_AB42_38 1 9.552616e-04 2.153324e-06 ; 3.621022e-01 1.059437e-01 3.886292e-03 1.631625e-04 0.000485 0.000060 True native_MD 7 98 324 CG_AB42_11 CA_AB42_38 1 1.334543e-03 2.969554e-06 ; 3.613209e-01 1.499389e-01 5.306264e-03 6.804861e-04 0.000485 0.001190 True native_MD 7 98 326 - CG_AB42_11 C_AB42_38 1 0.000000e+00 6.319499e-06 ; 3.285125e-01 -6.319499e-06 2.629658e-03 3.463803e-04 0.000485 0.000060 True native_MD 7 98 327 + CG_AB42_11 C_AB42_38 1 0.000000e+00 6.319393e-06 ; 3.285120e-01 -6.319393e-06 2.629658e-03 3.463803e-04 0.000485 0.000060 True native_MD 7 98 327 CG_AB42_11 O_AB42_38 1 4.428893e-04 4.352955e-07 ; 3.153176e-01 1.126539e-01 1.738636e-03 2.563619e-04 0.000485 0.001191 True native_MD 7 98 328 CG_AB42_11 N_AB42_39 1 5.853990e-04 8.886303e-07 ; 3.390092e-01 9.641016e-02 1.992490e-03 1.112719e-04 0.000485 0.000060 True native_MD 7 98 329 CG_AB42_11 CA_AB42_39 1 1.922254e-03 6.487276e-06 ; 3.872951e-01 1.423964e-01 4.234107e-03 5.038037e-04 0.000485 0.001021 True native_MD 7 98 331 @@ -24668,39 +24668,39 @@ CE2_AB42_10 O2_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592 CG_AB42_11 CG2_AB42_39 1 1.632796e-03 4.094946e-06 ; 3.685978e-01 1.627631e-01 7.788625e-03 8.882529e-04 0.000485 0.002332 True native_MD 7 98 334 CG_AB42_11 C_AB42_39 1 1.794084e-03 8.585228e-06 ; 4.105047e-01 9.372892e-02 9.868406e-04 5.000996e-05 0.000485 0.000060 True native_MD 7 98 335 CG_AB42_11 O_AB42_39 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 4.468548e-04 4.993021e-05 0.000485 0.001191 True native_MD 7 98 336 - CG_AB42_11 N_AB42_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 337 + CG_AB42_11 N_AB42_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 337 CG_AB42_11 CA_AB42_40 1 4.551955e-03 4.497825e-05 ; 4.632344e-01 1.151684e-01 1.874514e-03 2.353400e-04 0.000485 0.001021 True native_MD 7 98 339 CG_AB42_11 CB_AB42_40 1 3.110520e-03 1.709960e-05 ; 4.201060e-01 1.414555e-01 4.116554e-03 5.768917e-04 0.000485 0.001021 True native_MD 7 98 340 CG_AB42_11 CG1_AB42_40 1 1.672170e-03 5.254959e-06 ; 3.827203e-01 1.330245e-01 3.198587e-03 5.826518e-04 0.000485 0.002332 True native_MD 7 98 341 CG_AB42_11 CG2_AB42_40 1 1.441608e-03 3.942126e-06 ; 3.739503e-01 1.317966e-01 3.083184e-03 4.399662e-04 0.000485 0.002332 True native_MD 7 98 342 - CG_AB42_11 C_AB42_40 1 0.000000e+00 6.331062e-06 ; 3.285625e-01 -6.331062e-06 5.236812e-04 6.590758e-05 0.000485 0.000060 True native_MD 7 98 343 + CG_AB42_11 C_AB42_40 1 0.000000e+00 6.330955e-06 ; 3.285621e-01 -6.330955e-06 5.236812e-04 6.590758e-05 0.000485 0.000060 True native_MD 7 98 343 CG_AB42_11 O_AB42_40 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 4.565658e-04 9.993835e-05 0.000485 0.001191 True native_MD 7 98 344 - CG_AB42_11 N_AB42_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 345 + CG_AB42_11 N_AB42_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 345 CG_AB42_11 CA_AB42_41 1 1.546034e-03 5.769776e-06 ; 3.938432e-01 1.035665e-01 1.324655e-03 1.146694e-04 0.000485 0.001021 True native_MD 7 98 347 CG_AB42_11 CB_AB42_41 1 2.498164e-03 1.179241e-05 ; 4.095720e-01 1.323060e-01 3.130550e-03 8.034913e-04 0.000485 0.001021 True native_MD 7 98 348 CG_AB42_11 CG1_AB42_41 1 2.297134e-03 1.002024e-05 ; 4.042177e-01 1.316541e-01 3.070071e-03 6.208646e-04 0.000485 0.001190 True native_MD 7 98 349 CG_AB42_11 CG2_AB42_41 1 1.263475e-03 3.169725e-06 ; 3.686174e-01 1.259076e-01 2.585015e-03 1.138446e-03 0.000485 0.002332 True native_MD 7 98 350 CG_AB42_11 CD_AB42_41 1 1.275130e-03 2.867878e-06 ; 3.619659e-01 1.417387e-01 4.151591e-03 1.142853e-03 0.000485 0.002332 True native_MD 7 98 351 - CG_AB42_11 C_AB42_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 352 + CG_AB42_11 C_AB42_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 352 CG_AB42_11 O_AB42_41 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 2.065637e-04 5.159816e-05 0.000485 0.001191 True native_MD 7 98 353 - CG_AB42_11 N_AB42_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 354 + CG_AB42_11 N_AB42_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 354 CG_AB42_11 CA_AB42_42 1 1.650611e-03 6.774575e-06 ; 4.001347e-01 1.005420e-01 1.210026e-03 6.195130e-04 0.000485 0.001021 True native_MD 7 98 356 CG_AB42_11 CB_AB42_42 1 1.059592e-03 2.654575e-06 ; 3.685327e-01 1.057358e-01 1.413504e-03 6.026276e-04 0.000485 0.002332 True native_MD 7 98 357 - CG_AB42_11 C_AB42_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 358 - CG_AB42_11 O1_AB42_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 359 - CG_AB42_11 O2_AB42_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 360 - CD_AB42_11 C_AB42_11 1 0.000000e+00 2.267461e-06 ; 3.016176e-01 -2.267461e-06 7.269139e-01 5.994941e-01 0.000485 0.000060 True native_MD 4 99 102 - CD_AB42_11 O_AB42_11 1 0.000000e+00 8.325239e-07 ; 2.774564e-01 -8.325239e-07 7.895775e-02 8.570681e-02 0.000485 0.000060 True native_MD 5 99 103 - CD_AB42_11 N_AB42_12 1 0.000000e+00 1.304023e-06 ; 2.880285e-01 -1.304023e-06 1.927003e-01 5.735166e-02 0.000485 0.000060 True native_MD 5 99 104 - CD_AB42_11 CA_AB42_12 1 0.000000e+00 1.148108e-05 ; 3.452711e-01 -1.148108e-05 1.561660e-01 3.581629e-02 0.000485 0.000060 True native_MD 6 99 106 - CD_AB42_11 CB_AB42_12 1 0.000000e+00 1.195734e-05 ; 3.464425e-01 -1.195734e-05 9.958250e-02 1.572282e-02 0.000485 0.000060 True native_MD 7 99 107 - CD_AB42_11 CG1_AB42_12 1 0.000000e+00 4.586119e-06 ; 3.198518e-01 -4.586119e-06 4.987015e-02 2.024818e-02 0.000485 0.000060 True native_MD 7 99 108 - CD_AB42_11 CG2_AB42_12 1 0.000000e+00 4.450618e-06 ; 3.190534e-01 -4.450618e-06 8.456038e-02 2.626772e-02 0.000485 0.000060 True native_MD 7 99 109 + CG_AB42_11 C_AB42_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 358 + CG_AB42_11 O1_AB42_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 359 + CG_AB42_11 O2_AB42_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 360 + CD_AB42_11 C_AB42_11 1 0.000000e+00 2.267421e-06 ; 3.016171e-01 -2.267421e-06 7.269139e-01 5.994941e-01 0.000485 0.000060 True native_MD 4 99 102 + CD_AB42_11 O_AB42_11 1 0.000000e+00 8.325201e-07 ; 2.774563e-01 -8.325201e-07 7.895775e-02 8.570681e-02 0.000485 0.000060 True native_MD 5 99 103 + CD_AB42_11 N_AB42_12 1 0.000000e+00 1.304004e-06 ; 2.880281e-01 -1.304004e-06 1.927003e-01 5.735166e-02 0.000485 0.000060 True native_MD 5 99 104 + CD_AB42_11 CA_AB42_12 1 0.000000e+00 1.148102e-05 ; 3.452709e-01 -1.148102e-05 1.561660e-01 3.581629e-02 0.000485 0.000060 True native_MD 6 99 106 + CD_AB42_11 CB_AB42_12 1 0.000000e+00 1.195728e-05 ; 3.464424e-01 -1.195728e-05 9.958250e-02 1.572282e-02 0.000485 0.000060 True native_MD 7 99 107 + CD_AB42_11 CG1_AB42_12 1 0.000000e+00 4.586059e-06 ; 3.198514e-01 -4.586059e-06 4.987015e-02 2.024818e-02 0.000485 0.000060 True native_MD 7 99 108 + CD_AB42_11 CG2_AB42_12 1 0.000000e+00 4.450560e-06 ; 3.190530e-01 -4.450560e-06 8.456038e-02 2.626772e-02 0.000485 0.000060 True native_MD 7 99 109 CD_AB42_11 C_AB42_12 1 4.317254e-03 2.179530e-05 ; 4.141833e-01 2.137924e-01 4.554819e-02 2.750791e-03 0.000485 0.002166 True native_MD 7 99 110 CD_AB42_11 O_AB42_12 1 1.278201e-03 3.717016e-06 ; 3.778034e-01 1.098864e-01 8.393206e-03 1.135947e-02 0.000485 0.002166 True native_MD 7 99 111 CD_AB42_11 N_AB42_13 1 1.151507e-03 1.606405e-06 ; 3.342705e-01 2.063564e-01 7.293575e-02 5.502717e-03 0.000485 0.002166 True native_MD 7 99 112 CD_AB42_11 CA_AB42_13 1 2.741332e-03 1.179044e-05 ; 4.032689e-01 1.593432e-01 9.827232e-02 1.871279e-02 0.000485 0.001339 True native_MD 7 99 114 - CD_AB42_11 CB_AB42_13 1 0.000000e+00 5.898719e-06 ; 3.266316e-01 -5.898719e-06 9.123489e-02 2.251927e-02 0.000485 0.000060 True native_MD 7 99 115 + CD_AB42_11 CB_AB42_13 1 0.000000e+00 5.898620e-06 ; 3.266311e-01 -5.898620e-06 9.123489e-02 2.251927e-02 0.000485 0.000060 True native_MD 7 99 115 CD_AB42_11 CG_AB42_13 1 2.618592e-03 1.055492e-05 ; 3.989311e-01 1.624129e-01 3.580732e-02 1.006283e-02 0.000485 0.002166 True native_MD 7 99 116 CD_AB42_11 ND1_AB42_13 1 1.979480e-03 5.197715e-06 ; 3.714299e-01 1.884646e-01 1.435074e-01 1.849468e-02 0.000485 0.002166 True native_MD 7 99 117 CD_AB42_11 CD2_AB42_13 1 1.298608e-03 2.420382e-06 ; 3.508065e-01 1.741856e-01 6.731583e-02 2.032096e-02 0.000485 0.003309 True native_MD 7 99 118 @@ -24710,7 +24710,7 @@ CE2_AB42_10 O2_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592 CD_AB42_11 O_AB42_13 1 8.043240e-04 1.056800e-06 ; 3.309484e-01 1.530416e-01 2.243911e-02 8.347603e-03 0.000485 0.002166 True native_MD 7 99 122 CD_AB42_11 N_AB42_14 1 9.770399e-04 1.273996e-06 ; 3.305288e-01 1.873254e-01 2.554339e-02 3.406074e-03 0.000485 0.002166 True native_MD 7 99 123 CD_AB42_11 CA_AB42_14 1 2.055309e-03 7.319754e-06 ; 3.907838e-01 1.442772e-01 5.246823e-02 1.568236e-02 0.000485 0.001339 True native_MD 7 99 125 - CD_AB42_11 CB_AB42_14 1 0.000000e+00 5.908909e-06 ; 3.266785e-01 -5.908909e-06 8.724358e-02 2.013683e-02 0.000485 0.000060 True native_MD 7 99 126 + CD_AB42_11 CB_AB42_14 1 0.000000e+00 5.908810e-06 ; 3.266781e-01 -5.908810e-06 8.724358e-02 2.013683e-02 0.000485 0.000060 True native_MD 7 99 126 CD_AB42_11 CG_AB42_14 1 2.389203e-03 9.483374e-06 ; 3.979101e-01 1.504815e-01 3.438969e-02 1.381164e-02 0.000485 0.002166 True native_MD 7 99 127 CD_AB42_11 ND1_AB42_14 1 1.633401e-03 4.525070e-06 ; 3.747619e-01 1.474009e-01 3.423964e-02 1.507967e-02 0.000485 0.002166 True native_MD 7 99 128 CD_AB42_11 CD2_AB42_14 1 1.504077e-03 2.877227e-06 ; 3.523308e-01 1.965650e-01 1.207673e-01 1.866030e-02 0.000485 0.003309 True native_MD 7 99 129 @@ -24720,8 +24720,8 @@ CE2_AB42_10 O2_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592 CD_AB42_11 O_AB42_14 1 1.432757e-03 3.481553e-06 ; 3.666627e-01 1.474049e-01 5.048991e-03 2.223410e-03 0.000485 0.002166 True native_MD 7 99 133 CD_AB42_11 N_AB42_15 1 6.575105e-04 8.374682e-07 ; 3.292387e-01 1.290557e-01 2.840382e-03 1.385784e-03 0.000485 0.002166 True native_MD 7 99 134 CD_AB42_11 CA_AB42_15 1 1.488884e-03 4.511222e-06 ; 3.803986e-01 1.228478e-01 7.934291e-03 4.503336e-03 0.000485 0.001339 True native_MD 7 99 136 - CD_AB42_11 CB_AB42_15 1 0.000000e+00 6.298771e-06 ; 3.284226e-01 -6.298771e-06 9.600218e-03 4.044372e-03 0.000485 0.000060 True native_MD 7 99 137 - CD_AB42_11 CG_AB42_15 1 0.000000e+00 6.269573e-06 ; 3.282954e-01 -6.269573e-06 1.733435e-02 7.168882e-03 0.000485 0.000060 True native_MD 7 99 138 + CD_AB42_11 CB_AB42_15 1 0.000000e+00 6.298665e-06 ; 3.284221e-01 -6.298665e-06 9.600218e-03 4.044372e-03 0.000485 0.000060 True native_MD 7 99 137 + CD_AB42_11 CG_AB42_15 1 0.000000e+00 6.269468e-06 ; 3.282950e-01 -6.269468e-06 1.733435e-02 7.168882e-03 0.000485 0.000060 True native_MD 7 99 138 CD_AB42_11 CD_AB42_15 1 1.927151e-03 6.119893e-06 ; 3.833876e-01 1.517146e-01 1.532232e-02 5.930827e-03 0.000485 0.002166 True native_MD 7 99 139 CD_AB42_11 OE1_AB42_15 1 1.053321e-03 1.931950e-06 ; 3.498693e-01 1.435707e-01 9.081007e-03 4.485179e-03 0.000485 0.002166 True native_MD 7 99 140 CD_AB42_11 NE2_AB42_15 1 5.913175e-04 5.724359e-07 ; 3.145220e-01 1.527055e-01 2.625776e-02 9.866969e-03 0.000485 0.002166 True native_MD 7 99 141 @@ -24729,67 +24729,67 @@ CE2_AB42_10 O2_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592 CD_AB42_11 O_AB42_15 1 7.954541e-04 1.717582e-06 ; 3.595151e-01 9.209853e-02 9.398474e-04 8.790642e-04 0.000485 0.002166 True native_MD 7 99 143 CD_AB42_11 N_AB42_16 1 3.930320e-04 3.627561e-07 ; 3.120310e-01 1.064587e-01 1.444414e-03 2.282896e-04 0.000485 0.002166 True native_MD 7 99 144 CD_AB42_11 CA_AB42_16 1 2.433050e-03 1.019042e-05 ; 4.014889e-01 1.452279e-01 8.697939e-03 2.526825e-03 0.000485 0.001339 True native_MD 7 99 146 - CD_AB42_11 CB_AB42_16 1 0.000000e+00 6.280949e-06 ; 3.283450e-01 -6.280949e-06 1.156208e-02 3.192662e-03 0.000485 0.000060 True native_MD 7 99 147 - CD_AB42_11 CG_AB42_16 1 0.000000e+00 6.218566e-06 ; 3.280720e-01 -6.218566e-06 2.228776e-02 4.069276e-03 0.000485 0.000060 True native_MD 7 99 148 - CD_AB42_11 CD_AB42_16 1 0.000000e+00 6.149796e-06 ; 3.277681e-01 -6.149796e-06 3.614702e-02 7.071198e-03 0.000485 0.000060 True native_MD 7 99 149 - CD_AB42_11 CE_AB42_16 1 0.000000e+00 6.068503e-06 ; 3.274049e-01 -6.068503e-06 5.139890e-02 9.488652e-03 0.000485 0.000060 True native_MD 7 99 150 + CD_AB42_11 CB_AB42_16 1 0.000000e+00 6.280844e-06 ; 3.283446e-01 -6.280844e-06 1.156208e-02 3.192662e-03 0.000485 0.000060 True native_MD 7 99 147 + CD_AB42_11 CG_AB42_16 1 0.000000e+00 6.218461e-06 ; 3.280716e-01 -6.218461e-06 2.228776e-02 4.069276e-03 0.000485 0.000060 True native_MD 7 99 148 + CD_AB42_11 CD_AB42_16 1 0.000000e+00 6.149693e-06 ; 3.277677e-01 -6.149693e-06 3.614702e-02 7.071198e-03 0.000485 0.000060 True native_MD 7 99 149 + CD_AB42_11 CE_AB42_16 1 0.000000e+00 6.068401e-06 ; 3.274044e-01 -6.068401e-06 5.139890e-02 9.488652e-03 0.000485 0.000060 True native_MD 7 99 150 CD_AB42_11 NZ_AB42_16 1 4.752324e-04 3.045100e-07 ; 2.936179e-01 1.854174e-01 4.704741e-02 6.642156e-03 0.000485 0.002166 True native_MD 7 99 151 CD_AB42_11 C_AB42_16 1 1.581715e-03 6.060651e-06 ; 3.955777e-01 1.031994e-01 1.310182e-03 4.625213e-04 0.000485 0.002166 True native_MD 7 99 152 CD_AB42_11 N_AB42_17 1 5.768443e-04 7.626274e-07 ; 3.312905e-01 1.090799e-01 1.562280e-03 2.212129e-04 0.000485 0.002166 True native_MD 7 99 154 CD_AB42_11 CA_AB42_17 1 1.945223e-03 7.953820e-06 ; 3.998843e-01 1.189332e-01 2.290706e-03 1.461747e-03 0.000485 0.001339 True native_MD 7 99 156 - CD_AB42_11 CB_AB42_17 1 0.000000e+00 6.328254e-06 ; 3.285504e-01 -6.328254e-06 2.383362e-03 1.482290e-03 0.000485 0.000060 True native_MD 7 99 157 - CD_AB42_11 CG_AB42_17 1 0.000000e+00 1.307794e-05 ; 3.490385e-01 -1.307794e-05 2.825948e-03 4.823640e-03 0.000485 0.000060 True native_MD 7 99 158 - CD_AB42_11 CD1_AB42_17 1 0.000000e+00 4.738619e-06 ; 3.207249e-01 -4.738619e-06 2.208562e-03 4.854137e-03 0.000485 0.000060 True native_MD 7 99 159 - CD_AB42_11 CD2_AB42_17 1 0.000000e+00 4.737766e-06 ; 3.207201e-01 -4.737766e-06 1.672334e-03 4.137439e-03 0.000485 0.000060 True native_MD 7 99 160 + CD_AB42_11 CB_AB42_17 1 0.000000e+00 6.328147e-06 ; 3.285499e-01 -6.328147e-06 2.383362e-03 1.482290e-03 0.000485 0.000060 True native_MD 7 99 157 + CD_AB42_11 CG_AB42_17 1 0.000000e+00 1.307787e-05 ; 3.490383e-01 -1.307787e-05 2.825948e-03 4.823640e-03 0.000485 0.000060 True native_MD 7 99 158 + CD_AB42_11 CD1_AB42_17 1 0.000000e+00 4.738557e-06 ; 3.207245e-01 -4.738557e-06 2.208562e-03 4.854137e-03 0.000485 0.000060 True native_MD 7 99 159 + CD_AB42_11 CD2_AB42_17 1 0.000000e+00 4.737704e-06 ; 3.207197e-01 -4.737704e-06 1.672334e-03 4.137439e-03 0.000485 0.000060 True native_MD 7 99 160 CD_AB42_11 C_AB42_17 1 1.323185e-03 5.957205e-06 ; 4.063532e-01 7.347488e-02 5.382847e-04 2.787079e-04 0.000485 0.002166 True native_MD 7 99 161 CD_AB42_11 CA_AB42_18 1 1.615612e-03 7.531718e-06 ; 4.087203e-01 8.664028e-02 9.886041e-04 1.658155e-03 0.000485 0.001339 True native_MD 7 99 165 - CD_AB42_11 CB_AB42_18 1 0.000000e+00 1.307290e-05 ; 3.490272e-01 -1.307290e-05 2.042204e-03 3.653946e-03 0.000485 0.000060 True native_MD 7 99 166 - CD_AB42_11 CG1_AB42_18 1 0.000000e+00 4.730771e-06 ; 3.206806e-01 -4.730771e-06 1.717630e-03 2.702723e-03 0.000485 0.000060 True native_MD 7 99 167 - CD_AB42_11 CG2_AB42_18 1 0.000000e+00 4.734844e-06 ; 3.207036e-01 -4.734844e-06 2.021798e-03 3.868620e-03 0.000485 0.000060 True native_MD 7 99 168 - CD_AB42_11 CA_AB42_19 1 0.000000e+00 1.306885e-05 ; 3.490182e-01 -1.306885e-05 5.645374e-04 1.865963e-03 0.000485 0.001339 True native_MD 7 99 173 - CD_AB42_11 CB_AB42_19 1 0.000000e+00 6.344646e-06 ; 3.286212e-01 -6.344646e-06 1.082877e-03 2.769849e-03 0.000485 0.000060 True native_MD 7 99 174 + CD_AB42_11 CB_AB42_18 1 0.000000e+00 1.307283e-05 ; 3.490271e-01 -1.307283e-05 2.042204e-03 3.653946e-03 0.000485 0.000060 True native_MD 7 99 166 + CD_AB42_11 CG1_AB42_18 1 0.000000e+00 4.730710e-06 ; 3.206802e-01 -4.730710e-06 1.717630e-03 2.702723e-03 0.000485 0.000060 True native_MD 7 99 167 + CD_AB42_11 CG2_AB42_18 1 0.000000e+00 4.734782e-06 ; 3.207032e-01 -4.734782e-06 2.021798e-03 3.868620e-03 0.000485 0.000060 True native_MD 7 99 168 + CD_AB42_11 CA_AB42_19 1 0.000000e+00 1.306878e-05 ; 3.490181e-01 -1.306878e-05 5.645374e-04 1.865963e-03 0.000485 0.001339 True native_MD 7 99 173 + CD_AB42_11 CB_AB42_19 1 0.000000e+00 6.344540e-06 ; 3.286208e-01 -6.344540e-06 1.082877e-03 2.769849e-03 0.000485 0.000060 True native_MD 7 99 174 CD_AB42_11 CD1_AB42_19 1 7.796350e-04 1.639654e-06 ; 3.579399e-01 9.267666e-02 9.584817e-04 3.317071e-03 0.000485 0.003309 True native_MD 7 99 176 CD_AB42_11 CD2_AB42_19 1 7.796350e-04 1.639654e-06 ; 3.579399e-01 9.267666e-02 9.584817e-04 3.317071e-03 0.000485 0.003309 True native_MD 7 99 177 CD_AB42_11 CE1_AB42_19 1 8.705249e-04 1.887967e-06 ; 3.597788e-01 1.003479e-01 1.792409e-03 4.930693e-03 0.000485 0.003309 True native_MD 7 99 178 CD_AB42_11 CE2_AB42_19 1 8.705249e-04 1.887967e-06 ; 3.597788e-01 1.003479e-01 1.792409e-03 4.930693e-03 0.000485 0.003309 True native_MD 7 99 179 CD_AB42_11 CZ_AB42_19 1 8.257714e-04 1.828672e-06 ; 3.610323e-01 9.322317e-02 1.635604e-03 5.568603e-03 0.000485 0.003309 True native_MD 7 99 180 CD_AB42_11 CA_AB42_20 1 9.937949e-04 3.197990e-06 ; 3.842348e-01 7.720697e-02 7.519187e-04 1.672535e-03 0.000485 0.001339 True native_MD 7 99 185 - CD_AB42_11 CB_AB42_20 1 0.000000e+00 6.338039e-06 ; 3.285927e-01 -6.338039e-06 1.572373e-03 2.216158e-03 0.000485 0.000060 True native_MD 7 99 186 + CD_AB42_11 CB_AB42_20 1 0.000000e+00 6.337932e-06 ; 3.285922e-01 -6.337932e-06 1.572373e-03 2.216158e-03 0.000485 0.000060 True native_MD 7 99 186 CD_AB42_11 CG_AB42_20 1 1.806198e-03 9.559434e-06 ; 4.174564e-01 8.531754e-02 7.672327e-04 1.304410e-03 0.000485 0.003309 True native_MD 7 99 187 CD_AB42_11 CD1_AB42_20 1 7.915694e-04 1.927699e-06 ; 3.667964e-01 8.126039e-02 6.795128e-04 2.076680e-03 0.000485 0.003309 True native_MD 7 99 188 CD_AB42_11 CD2_AB42_20 1 7.915694e-04 1.927699e-06 ; 3.667964e-01 8.126039e-02 6.795128e-04 2.076680e-03 0.000485 0.003309 True native_MD 7 99 189 CD_AB42_11 CE1_AB42_20 1 6.593808e-04 1.048748e-06 ; 3.416561e-01 1.036433e-01 1.518008e-03 3.783686e-03 0.000485 0.003309 True native_MD 7 99 190 CD_AB42_11 CE2_AB42_20 1 6.593808e-04 1.048748e-06 ; 3.416561e-01 1.036433e-01 1.518008e-03 3.783686e-03 0.000485 0.003309 True native_MD 7 99 191 CD_AB42_11 CZ_AB42_20 1 9.836959e-04 2.279709e-06 ; 3.637780e-01 1.061163e-01 2.219709e-03 5.138021e-03 0.000485 0.003309 True native_MD 7 99 192 - CD_AB42_11 CB_AB42_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 198 - CD_AB42_11 CB_AB42_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 204 - CD_AB42_11 CG_AB42_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 205 - CD_AB42_11 CB_AB42_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 214 + CD_AB42_11 CB_AB42_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 198 + CD_AB42_11 CB_AB42_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 204 + CD_AB42_11 CG_AB42_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 205 + CD_AB42_11 CB_AB42_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 214 CD_AB42_11 CA_AB42_24 1 1.048531e-03 2.553845e-06 ; 3.668053e-01 1.076237e-01 1.495658e-03 9.884022e-04 0.000485 0.001339 True native_MD 7 99 222 - CD_AB42_11 CB_AB42_24 1 0.000000e+00 1.304859e-05 ; 3.489731e-01 -1.304859e-05 1.971634e-03 1.721054e-03 0.000485 0.000060 True native_MD 7 99 223 - CD_AB42_11 CG1_AB42_24 1 0.000000e+00 4.725597e-06 ; 3.206513e-01 -4.725597e-06 1.666333e-03 1.556555e-03 0.000485 0.000060 True native_MD 7 99 224 - CD_AB42_11 CG2_AB42_24 1 0.000000e+00 4.726968e-06 ; 3.206591e-01 -4.726968e-06 1.091250e-03 1.271673e-03 0.000485 0.000060 True native_MD 7 99 225 + CD_AB42_11 CB_AB42_24 1 0.000000e+00 1.304853e-05 ; 3.489730e-01 -1.304853e-05 1.971634e-03 1.721054e-03 0.000485 0.000060 True native_MD 7 99 223 + CD_AB42_11 CG1_AB42_24 1 0.000000e+00 4.725535e-06 ; 3.206510e-01 -4.725535e-06 1.666333e-03 1.556555e-03 0.000485 0.000060 True native_MD 7 99 224 + CD_AB42_11 CG2_AB42_24 1 0.000000e+00 4.726907e-06 ; 3.206587e-01 -4.726907e-06 1.091250e-03 1.271673e-03 0.000485 0.000060 True native_MD 7 99 225 CD_AB42_11 C_AB42_24 1 1.151737e-03 3.227144e-06 ; 3.754719e-01 1.027610e-01 1.293107e-03 2.176612e-04 0.000485 0.002166 True native_MD 7 99 226 CD_AB42_11 N_AB42_25 1 2.951220e-04 2.028046e-07 ; 2.970613e-01 1.073657e-01 1.484155e-03 3.669568e-04 0.000485 0.002166 True native_MD 7 99 228 CD_AB42_11 CA_AB42_25 1 8.729280e-04 1.543500e-06 ; 3.477400e-01 1.234213e-01 2.399658e-03 1.271360e-03 0.000485 0.001584 True native_MD 7 99 230 CD_AB42_11 C_AB42_25 1 1.230904e-03 3.324400e-06 ; 3.731770e-01 1.139397e-01 1.806841e-03 4.956673e-04 0.000485 0.002166 True native_MD 7 99 231 CD_AB42_11 N_AB42_26 1 4.152119e-04 3.888616e-07 ; 3.127910e-01 1.108369e-01 1.646623e-03 2.273161e-04 0.000485 0.002166 True native_MD 7 99 233 CD_AB42_11 CA_AB42_26 1 1.111510e-03 2.469652e-06 ; 3.612327e-01 1.250636e-01 2.520542e-03 1.058790e-03 0.000485 0.001339 True native_MD 7 99 235 - CD_AB42_11 CB_AB42_26 1 0.000000e+00 6.332345e-06 ; 3.285681e-01 -6.332345e-06 1.552205e-03 1.297099e-03 0.000485 0.000060 True native_MD 7 99 236 + CD_AB42_11 CB_AB42_26 1 0.000000e+00 6.332239e-06 ; 3.285676e-01 -6.332239e-06 1.552205e-03 1.297099e-03 0.000485 0.000060 True native_MD 7 99 236 CD_AB42_11 OG_AB42_26 1 2.912931e-04 2.276087e-07 ; 3.034891e-01 9.319908e-02 9.713168e-04 1.029987e-03 0.000485 0.002166 True native_MD 7 99 237 CD_AB42_11 C_AB42_26 1 1.195386e-03 3.290189e-06 ; 3.743565e-01 1.085765e-01 1.538920e-03 1.899481e-04 0.000485 0.002166 True native_MD 7 99 238 CD_AB42_11 N_AB42_27 1 3.158315e-04 2.270897e-07 ; 2.993117e-01 1.098129e-01 1.596928e-03 7.449977e-05 0.000485 0.002166 True native_MD 7 99 240 CD_AB42_11 CA_AB42_27 1 1.468978e-03 4.476049e-06 ; 3.807559e-01 1.205246e-01 2.200400e-03 6.526444e-04 0.000485 0.001339 True native_MD 7 99 242 - CD_AB42_11 CB_AB42_27 1 0.000000e+00 6.324500e-06 ; 3.285341e-01 -6.324500e-06 2.336293e-03 8.425212e-04 0.000485 0.000060 True native_MD 7 99 243 + CD_AB42_11 CB_AB42_27 1 0.000000e+00 6.324393e-06 ; 3.285337e-01 -6.324393e-06 2.336293e-03 8.425212e-04 0.000485 0.000060 True native_MD 7 99 243 CD_AB42_11 CG_AB42_27 1 1.383973e-03 3.968389e-06 ; 3.769188e-01 1.206650e-01 2.209662e-03 5.497840e-04 0.000485 0.002166 True native_MD 7 99 244 CD_AB42_11 ND2_AB42_27 1 4.184549e-04 3.477963e-07 ; 3.066286e-01 1.258672e-01 2.581887e-03 1.089797e-03 0.000485 0.002166 True native_MD 7 99 246 CD_AB42_11 C_AB42_27 1 1.458357e-03 5.049898e-06 ; 3.889584e-01 1.052896e-01 1.394751e-03 2.149057e-04 0.000485 0.002166 True native_MD 7 99 247 CD_AB42_11 N_AB42_28 1 3.942431e-04 3.694887e-07 ; 3.128284e-01 1.051640e-01 1.389521e-03 2.312136e-04 0.000485 0.002166 True native_MD 7 99 249 CD_AB42_11 CA_AB42_28 1 2.105438e-03 9.061827e-06 ; 4.033161e-01 1.222952e-01 2.320133e-03 7.312236e-04 0.000485 0.001339 True native_MD 7 99 251 - CD_AB42_11 CB_AB42_28 1 0.000000e+00 6.319713e-06 ; 3.285134e-01 -6.319713e-06 3.068519e-03 8.190514e-04 0.000485 0.000060 True native_MD 7 99 252 - CD_AB42_11 CG_AB42_28 1 0.000000e+00 6.304474e-06 ; 3.284473e-01 -6.304474e-06 5.333413e-03 6.779943e-04 0.000485 0.000060 True native_MD 7 99 253 + CD_AB42_11 CB_AB42_28 1 0.000000e+00 6.319607e-06 ; 3.285130e-01 -6.319607e-06 3.068519e-03 8.190514e-04 0.000485 0.000060 True native_MD 7 99 252 + CD_AB42_11 CG_AB42_28 1 0.000000e+00 6.304368e-06 ; 3.284469e-01 -6.304368e-06 5.333413e-03 6.779943e-04 0.000485 0.000060 True native_MD 7 99 253 CD_AB42_11 CD_AB42_28 1 6.815205e-04 1.573025e-06 ; 3.635321e-01 7.381799e-02 8.530830e-03 9.367064e-04 0.000485 0.000060 True native_MD 7 99 254 - CD_AB42_11 CE_AB42_28 1 0.000000e+00 6.272663e-06 ; 3.283089e-01 -6.272663e-06 1.112414e-02 1.446519e-03 0.000485 0.000060 True native_MD 7 99 255 + CD_AB42_11 CE_AB42_28 1 0.000000e+00 6.272558e-06 ; 3.283084e-01 -6.272558e-06 1.112414e-02 1.446519e-03 0.000485 0.000060 True native_MD 7 99 255 CD_AB42_11 NZ_AB42_28 1 4.382007e-04 2.791040e-07 ; 2.933248e-01 1.719967e-01 1.026755e-02 8.517711e-04 0.000485 0.002166 True native_MD 7 99 256 CD_AB42_11 C_AB42_28 1 1.766754e-03 8.644905e-06 ; 4.120317e-01 9.026764e-02 8.897375e-04 1.964202e-04 0.000485 0.002166 True native_MD 7 99 257 CD_AB42_11 N_AB42_29 1 6.087615e-04 9.524406e-07 ; 3.407207e-01 9.727392e-02 1.097287e-03 1.417456e-04 0.000485 0.002166 True native_MD 7 99 259 @@ -24797,17 +24797,17 @@ CE2_AB42_10 O2_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592 CD_AB42_11 C_AB42_29 1 9.316712e-04 2.957807e-06 ; 3.833698e-01 7.336613e-02 5.365357e-04 3.366178e-04 0.000485 0.002166 True native_MD 7 99 262 CD_AB42_11 O_AB42_29 1 1.082663e-03 2.666398e-06 ; 3.674841e-01 1.099010e-01 1.601145e-03 3.811361e-04 0.000485 0.002166 True native_MD 7 99 263 CD_AB42_11 CA_AB42_30 1 3.447309e-03 2.418430e-05 ; 4.375311e-01 1.228477e-01 2.358814e-03 8.027018e-04 0.000485 0.001339 True native_MD 7 99 266 - CD_AB42_11 CB_AB42_30 1 0.000000e+00 4.709020e-06 ; 3.205575e-01 -4.709020e-06 4.530430e-03 9.131751e-04 0.000485 0.000060 True native_MD 7 99 267 + CD_AB42_11 CB_AB42_30 1 0.000000e+00 4.708959e-06 ; 3.205571e-01 -4.708959e-06 4.530430e-03 9.131751e-04 0.000485 0.000060 True native_MD 7 99 267 CD_AB42_11 CA_AB42_31 1 1.802469e-03 9.281259e-06 ; 4.155499e-01 8.751220e-02 8.193141e-04 1.347437e-04 0.000485 0.001339 True native_MD 7 99 272 - CD_AB42_11 CB_AB42_31 1 0.000000e+00 1.303972e-05 ; 3.489533e-01 -1.303972e-05 1.357741e-03 4.269982e-04 0.000485 0.000060 True native_MD 7 99 273 + CD_AB42_11 CB_AB42_31 1 0.000000e+00 1.303965e-05 ; 3.489532e-01 -1.303965e-05 1.357741e-03 4.269982e-04 0.000485 0.000060 True native_MD 7 99 273 CD_AB42_11 CG1_AB42_31 1 7.666726e-04 1.883124e-06 ; 3.673202e-01 7.803348e-02 5.166409e-03 5.000503e-04 0.000485 0.000060 True native_MD 7 99 274 - CD_AB42_11 CG2_AB42_31 1 0.000000e+00 4.720946e-06 ; 3.206250e-01 -4.720946e-06 1.566569e-03 4.727615e-04 0.000485 0.000060 True native_MD 7 99 275 - CD_AB42_11 CD_AB42_31 1 0.000000e+00 4.707243e-06 ; 3.205474e-01 -4.707243e-06 4.698647e-03 7.054076e-04 0.000485 0.000060 True native_MD 7 99 276 + CD_AB42_11 CG2_AB42_31 1 0.000000e+00 4.720885e-06 ; 3.206247e-01 -4.720885e-06 1.566569e-03 4.727615e-04 0.000485 0.000060 True native_MD 7 99 275 + CD_AB42_11 CD_AB42_31 1 0.000000e+00 4.707182e-06 ; 3.205470e-01 -4.707182e-06 4.698647e-03 7.054076e-04 0.000485 0.000060 True native_MD 7 99 276 CD_AB42_11 CA_AB42_32 1 1.168589e-03 3.891605e-06 ; 3.864362e-01 8.772731e-02 8.246052e-04 4.148777e-04 0.000485 0.001339 True native_MD 7 99 281 - CD_AB42_11 CB_AB42_32 1 0.000000e+00 1.304407e-05 ; 3.489630e-01 -1.304407e-05 1.523367e-03 9.263492e-04 0.000485 0.000060 True native_MD 7 99 282 - CD_AB42_11 CG1_AB42_32 1 0.000000e+00 6.328819e-06 ; 3.285528e-01 -6.328819e-06 1.567408e-03 7.555406e-04 0.000485 0.000060 True native_MD 7 99 283 - CD_AB42_11 CG2_AB42_32 1 0.000000e+00 4.722781e-06 ; 3.206354e-01 -4.722781e-06 1.755461e-03 1.049817e-03 0.000485 0.000060 True native_MD 7 99 284 - CD_AB42_11 CD_AB42_32 1 0.000000e+00 4.723582e-06 ; 3.206399e-01 -4.723582e-06 2.138875e-03 1.602839e-03 0.000485 0.000060 True native_MD 7 99 285 + CD_AB42_11 CB_AB42_32 1 0.000000e+00 1.304401e-05 ; 3.489629e-01 -1.304401e-05 1.523367e-03 9.263492e-04 0.000485 0.000060 True native_MD 7 99 282 + CD_AB42_11 CG1_AB42_32 1 0.000000e+00 6.328712e-06 ; 3.285524e-01 -6.328712e-06 1.567408e-03 7.555406e-04 0.000485 0.000060 True native_MD 7 99 283 + CD_AB42_11 CG2_AB42_32 1 0.000000e+00 4.722719e-06 ; 3.206351e-01 -4.722719e-06 1.755461e-03 1.049817e-03 0.000485 0.000060 True native_MD 7 99 284 + CD_AB42_11 CD_AB42_32 1 0.000000e+00 4.723521e-06 ; 3.206396e-01 -4.723521e-06 2.138875e-03 1.602839e-03 0.000485 0.000060 True native_MD 7 99 285 CD_AB42_11 C_AB42_32 1 1.288475e-03 5.662008e-06 ; 4.047148e-01 7.330296e-02 5.355224e-04 2.124952e-04 0.000485 0.002166 True native_MD 7 99 286 CD_AB42_11 N_AB42_33 1 5.639065e-04 8.296388e-07 ; 3.372461e-01 9.582198e-02 1.050630e-03 3.621526e-04 0.000485 0.002166 True native_MD 7 99 288 CD_AB42_11 CA_AB42_33 1 1.353717e-03 2.939870e-06 ; 3.598598e-01 1.558360e-01 6.330404e-03 1.047811e-03 0.000485 0.001584 True native_MD 7 99 290 @@ -24845,36 +24845,36 @@ CE2_AB42_10 O2_AB42_42 1 2.910209e-04 1.848241e-07 ; 2.931832e-01 1.145592 CD_AB42_11 O_AB42_38 1 8.494915e-04 2.124883e-06 ; 3.684365e-01 8.490301e-02 7.577738e-04 2.840068e-04 0.000485 0.002166 True native_MD 7 99 328 CD_AB42_11 N_AB42_39 1 4.782591e-04 6.987718e-07 ; 3.368568e-01 8.183351e-02 6.912678e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 99 329 CD_AB42_11 CA_AB42_39 1 2.153982e-03 1.002918e-05 ; 4.086365e-01 1.156535e-01 1.901928e-03 2.584886e-04 0.000485 0.001339 True native_MD 7 99 331 - CD_AB42_11 CB_AB42_39 1 0.000000e+00 1.301382e-05 ; 3.488955e-01 -1.301382e-05 3.708075e-03 7.931904e-04 0.000485 0.000060 True native_MD 7 99 332 - CD_AB42_11 CG1_AB42_39 1 0.000000e+00 4.715569e-06 ; 3.205946e-01 -4.715569e-06 2.771059e-03 5.395326e-04 0.000485 0.000060 True native_MD 7 99 333 - CD_AB42_11 CG2_AB42_39 1 0.000000e+00 4.713195e-06 ; 3.205811e-01 -4.713195e-06 3.476339e-03 7.423670e-04 0.000485 0.000060 True native_MD 7 99 334 + CD_AB42_11 CB_AB42_39 1 0.000000e+00 1.301375e-05 ; 3.488954e-01 -1.301375e-05 3.708075e-03 7.931904e-04 0.000485 0.000060 True native_MD 7 99 332 + CD_AB42_11 CG1_AB42_39 1 0.000000e+00 4.715508e-06 ; 3.205942e-01 -4.715508e-06 2.771059e-03 5.395326e-04 0.000485 0.000060 True native_MD 7 99 333 + CD_AB42_11 CG2_AB42_39 1 0.000000e+00 4.713133e-06 ; 3.205808e-01 -4.713133e-06 3.476339e-03 7.423670e-04 0.000485 0.000060 True native_MD 7 99 334 CD_AB42_11 CA_AB42_40 1 1.744226e-03 1.054834e-05 ; 4.268385e-01 7.210433e-02 5.166536e-04 1.237108e-04 0.000485 0.001339 True native_MD 7 99 339 - CD_AB42_11 CB_AB42_40 1 0.000000e+00 1.303801e-05 ; 3.489495e-01 -1.303801e-05 1.578121e-03 5.168687e-04 0.000485 0.000060 True native_MD 7 99 340 - CD_AB42_11 CG1_AB42_40 1 0.000000e+00 4.722161e-06 ; 3.206319e-01 -4.722161e-06 1.250185e-03 4.133423e-04 0.000485 0.000060 True native_MD 7 99 341 - CD_AB42_11 CG2_AB42_40 1 0.000000e+00 4.720568e-06 ; 3.206229e-01 -4.720568e-06 1.633206e-03 4.592758e-04 0.000485 0.000060 True native_MD 7 99 342 + CD_AB42_11 CB_AB42_40 1 0.000000e+00 1.303795e-05 ; 3.489494e-01 -1.303795e-05 1.578121e-03 5.168687e-04 0.000485 0.000060 True native_MD 7 99 340 + CD_AB42_11 CG1_AB42_40 1 0.000000e+00 4.722099e-06 ; 3.206316e-01 -4.722099e-06 1.250185e-03 4.133423e-04 0.000485 0.000060 True native_MD 7 99 341 + CD_AB42_11 CG2_AB42_40 1 0.000000e+00 4.720506e-06 ; 3.206225e-01 -4.720506e-06 1.633206e-03 4.592758e-04 0.000485 0.000060 True native_MD 7 99 342 CD_AB42_11 CA_AB42_41 1 1.109016e-03 4.044249e-06 ; 3.923286e-01 7.602875e-02 5.810370e-04 1.793389e-04 0.000485 0.001339 True native_MD 7 99 347 - CD_AB42_11 CB_AB42_41 1 0.000000e+00 1.304106e-05 ; 3.489563e-01 -1.304106e-05 1.394764e-03 5.672791e-04 0.000485 0.000060 True native_MD 7 99 348 - CD_AB42_11 CG1_AB42_41 1 0.000000e+00 6.330769e-06 ; 3.285613e-01 -6.330769e-06 1.022216e-03 5.182787e-04 0.000485 0.000060 True native_MD 7 99 349 - CD_AB42_11 CG2_AB42_41 1 0.000000e+00 4.725946e-06 ; 3.206533e-01 -4.725946e-06 1.131271e-03 1.095395e-03 0.000485 0.000060 True native_MD 7 99 350 - CD_AB42_11 CD_AB42_41 1 0.000000e+00 4.720602e-06 ; 3.206231e-01 -4.720602e-06 1.973096e-03 8.064365e-04 0.000485 0.000060 True native_MD 7 99 351 + CD_AB42_11 CB_AB42_41 1 0.000000e+00 1.304100e-05 ; 3.489562e-01 -1.304100e-05 1.394764e-03 5.672791e-04 0.000485 0.000060 True native_MD 7 99 348 + CD_AB42_11 CG1_AB42_41 1 0.000000e+00 6.330663e-06 ; 3.285608e-01 -6.330663e-06 1.022216e-03 5.182787e-04 0.000485 0.000060 True native_MD 7 99 349 + CD_AB42_11 CG2_AB42_41 1 0.000000e+00 4.725884e-06 ; 3.206530e-01 -4.725884e-06 1.131271e-03 1.095395e-03 0.000485 0.000060 True native_MD 7 99 350 + CD_AB42_11 CD_AB42_41 1 0.000000e+00 4.720540e-06 ; 3.206227e-01 -4.720540e-06 1.973096e-03 8.064365e-04 0.000485 0.000060 True native_MD 7 99 351 CD_AB42_11 CA_AB42_42 1 1.818335e-03 9.659218e-06 ; 4.177130e-01 8.557481e-02 7.731625e-04 6.406724e-04 0.000485 0.001339 True native_MD 7 99 356 - CD_AB42_11 CB_AB42_42 1 0.000000e+00 4.723285e-06 ; 3.206383e-01 -4.723285e-06 1.118223e-03 5.192696e-04 0.000485 0.000060 True native_MD 7 99 357 + CD_AB42_11 CB_AB42_42 1 0.000000e+00 4.723223e-06 ; 3.206379e-01 -4.723223e-06 1.118223e-03 5.192696e-04 0.000485 0.000060 True native_MD 7 99 357 OE1_AB42_11 OE1_AB42_11 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 100 OE1_AB42_11 OE2_AB42_11 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 101 -OE1_AB42_11 C_AB42_11 1 0.000000e+00 6.219977e-07 ; 2.707971e-01 -6.219977e-07 9.942120e-02 2.860612e-02 0.000485 0.000060 True native_MD 5 100 102 +OE1_AB42_11 C_AB42_11 1 0.000000e+00 6.219949e-07 ; 2.707970e-01 -6.219949e-07 9.942120e-02 2.860612e-02 0.000485 0.000060 True native_MD 5 100 102 OE1_AB42_11 O_AB42_11 1 0.000000e+00 1.481581e-06 ; 2.911089e-01 -1.481581e-06 6.670663e-02 5.442758e-02 0.000485 0.000060 True native_MD 6 100 103 OE1_AB42_11 N_AB42_12 1 0.000000e+00 1.347753e-06 ; 2.888213e-01 -1.347753e-06 1.227175e-01 2.121982e-02 0.000485 0.000060 True native_MD 6 100 104 OE1_AB42_11 H_AB42_12 1 1.054449e-05 1.236861e-10 ; 1.507356e-01 2.247349e-01 4.976085e-02 1.576032e-03 0.000485 0.005316 True native_MD 7 100 105 OE1_AB42_11 CA_AB42_12 1 1.401943e-03 2.583025e-06 ; 3.501330e-01 1.902270e-01 5.571093e-02 4.209915e-03 0.000485 0.001339 True native_MD 7 100 106 OE1_AB42_11 CB_AB42_12 1 6.838676e-04 1.332526e-06 ; 3.534142e-01 8.774215e-02 4.824479e-02 3.492167e-03 0.000485 0.000060 True native_MD 7 100 107 -OE1_AB42_11 CG1_AB42_12 1 0.000000e+00 1.196521e-06 ; 2.859708e-01 -1.196521e-06 2.323455e-02 6.031737e-03 0.000485 0.000060 True native_MD 7 100 108 +OE1_AB42_11 CG1_AB42_12 1 0.000000e+00 1.196522e-06 ; 2.859708e-01 -1.196522e-06 2.323455e-02 6.031737e-03 0.000485 0.000060 True native_MD 7 100 108 OE1_AB42_11 CG2_AB42_12 1 0.000000e+00 1.172371e-06 ; 2.854853e-01 -1.172371e-06 4.350565e-02 6.466453e-03 0.000485 0.000060 True native_MD 7 100 109 OE1_AB42_11 C_AB42_12 1 1.294172e-03 2.077461e-06 ; 3.421817e-01 2.015538e-01 2.486632e-02 7.312730e-04 0.000485 0.002166 True native_MD 7 100 110 OE1_AB42_11 O_AB42_12 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 111 OE1_AB42_11 N_AB42_13 1 2.253081e-04 6.661787e-08 ; 2.581085e-01 1.905035e-01 4.286253e-02 5.197119e-03 0.000485 0.002166 True native_MD 7 100 112 OE1_AB42_11 H_AB42_13 1 1.029229e-05 1.301388e-10 ; 1.526332e-01 2.034969e-01 2.635510e-02 5.436191e-04 0.000485 0.005316 True native_MD 7 100 113 OE1_AB42_11 CA_AB42_13 1 8.393804e-04 1.103840e-06 ; 3.309974e-01 1.595701e-01 3.856682e-02 7.294309e-03 0.000485 0.001339 True native_MD 7 100 114 -OE1_AB42_11 CB_AB42_13 1 0.000000e+00 1.573860e-06 ; 2.925783e-01 -1.573860e-06 4.706338e-02 1.164418e-02 0.000485 0.000060 True native_MD 7 100 115 +OE1_AB42_11 CB_AB42_13 1 0.000000e+00 1.573855e-06 ; 2.925783e-01 -1.573855e-06 4.706338e-02 1.164418e-02 0.000485 0.000060 True native_MD 7 100 115 OE1_AB42_11 CG_AB42_13 1 7.070830e-04 8.045505e-07 ; 3.231076e-01 1.553558e-01 1.424902e-02 4.946139e-03 0.000485 0.002166 True native_MD 7 100 116 OE1_AB42_11 ND1_AB42_13 1 1.145834e-03 1.918537e-06 ; 3.445943e-01 1.710856e-01 4.925965e-02 1.067939e-02 0.000485 0.002166 True native_MD 7 100 117 OE1_AB42_11 CD2_AB42_13 1 3.837938e-04 2.173226e-07 ; 2.876302e-01 1.694458e-01 3.083291e-02 1.072649e-02 0.000485 0.003309 True native_MD 7 100 118 @@ -24885,7 +24885,7 @@ OE1_AB42_11 O_AB42_13 1 0.000000e+00 1.479885e-06 ; 2.910811e-01 -1.479885 OE1_AB42_11 N_AB42_14 1 2.178983e-04 7.215351e-08 ; 2.630272e-01 1.645093e-01 1.910204e-02 5.042000e-03 0.000485 0.002166 True native_MD 7 100 123 OE1_AB42_11 H_AB42_14 1 6.165651e-06 7.179333e-11 ; 1.505512e-01 1.323774e-01 3.137241e-03 4.734479e-04 0.000485 0.005316 True native_MD 7 100 124 OE1_AB42_11 CA_AB42_14 1 8.201136e-04 1.317243e-06 ; 3.422147e-01 1.276504e-01 1.722826e-02 8.469569e-03 0.000485 0.001339 True native_MD 7 100 125 -OE1_AB42_11 CB_AB42_14 1 0.000000e+00 1.597205e-06 ; 2.929376e-01 -1.597205e-06 3.294227e-02 1.183029e-02 0.000485 0.000060 True native_MD 7 100 126 +OE1_AB42_11 CB_AB42_14 1 0.000000e+00 1.597199e-06 ; 2.929375e-01 -1.597199e-06 3.294227e-02 1.183029e-02 0.000485 0.000060 True native_MD 7 100 126 OE1_AB42_11 CG_AB42_14 1 5.740218e-04 6.166823e-07 ; 3.200286e-01 1.335781e-01 1.406724e-02 9.369739e-03 0.000485 0.002166 True native_MD 7 100 127 OE1_AB42_11 ND1_AB42_14 1 6.732459e-04 8.621149e-07 ; 3.295327e-01 1.314384e-01 1.351630e-02 9.598299e-03 0.000485 0.002166 True native_MD 7 100 128 OE1_AB42_11 CD2_AB42_14 1 5.552799e-04 4.136153e-07 ; 3.010792e-01 1.863662e-01 5.485403e-02 1.150119e-02 0.000485 0.003309 True native_MD 7 100 129 @@ -24896,8 +24896,8 @@ OE1_AB42_11 O_AB42_14 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 OE1_AB42_11 N_AB42_15 1 1.846510e-04 6.602466e-08 ; 2.664152e-01 1.291033e-01 2.891652e-03 2.202059e-03 0.000485 0.002166 True native_MD 7 100 134 OE1_AB42_11 H_AB42_15 1 4.919967e-06 7.116812e-11 ; 1.560944e-01 8.503130e-02 7.606887e-04 3.092204e-04 0.000485 0.005316 True native_MD 7 100 135 OE1_AB42_11 CA_AB42_15 1 4.493189e-04 4.491012e-07 ; 3.162022e-01 1.123842e-01 3.241991e-03 2.516760e-03 0.000485 0.001339 True native_MD 7 100 136 -OE1_AB42_11 CB_AB42_15 1 0.000000e+00 1.629649e-06 ; 2.934289e-01 -1.629649e-06 3.182466e-03 1.954962e-03 0.000485 0.000060 True native_MD 7 100 137 -OE1_AB42_11 CG_AB42_15 1 0.000000e+00 1.627253e-06 ; 2.933929e-01 -1.627253e-06 6.696763e-03 4.000769e-03 0.000485 0.000060 True native_MD 7 100 138 +OE1_AB42_11 CB_AB42_15 1 0.000000e+00 1.629644e-06 ; 2.934288e-01 -1.629644e-06 3.182466e-03 1.954962e-03 0.000485 0.000060 True native_MD 7 100 137 +OE1_AB42_11 CG_AB42_15 1 0.000000e+00 1.627248e-06 ; 2.933928e-01 -1.627248e-06 6.696763e-03 4.000769e-03 0.000485 0.000060 True native_MD 7 100 138 OE1_AB42_11 CD_AB42_15 1 7.758281e-04 1.115744e-06 ; 3.359695e-01 1.348672e-01 5.384077e-03 3.450450e-03 0.000485 0.002166 True native_MD 7 100 139 OE1_AB42_11 OE1_AB42_15 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 140 OE1_AB42_11 NE2_AB42_15 1 1.594604e-04 4.318132e-08 ; 2.543551e-01 1.472141e-01 1.313276e-02 5.816544e-03 0.000485 0.002166 True native_MD 7 100 141 @@ -24906,36 +24906,36 @@ OE1_AB42_11 O_AB42_15 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 OE1_AB42_11 N_AB42_16 1 1.229559e-04 3.152032e-08 ; 2.520424e-01 1.199079e-01 2.160164e-03 1.241762e-03 0.000485 0.002166 True native_MD 7 100 144 OE1_AB42_11 H_AB42_16 1 5.020399e-06 7.497480e-11 ; 1.569265e-01 8.404291e-02 7.385182e-04 9.244242e-05 0.000485 0.005316 True native_MD 7 100 145 OE1_AB42_11 CA_AB42_16 1 6.706791e-04 8.726560e-07 ; 3.304112e-01 1.288625e-01 3.853829e-03 1.827088e-03 0.000485 0.001339 True native_MD 7 100 146 -OE1_AB42_11 CB_AB42_16 1 0.000000e+00 1.627274e-06 ; 2.933932e-01 -1.627274e-06 4.949823e-03 2.266506e-03 0.000485 0.000060 True native_MD 7 100 147 -OE1_AB42_11 CG_AB42_16 1 0.000000e+00 1.616211e-06 ; 2.932265e-01 -1.616211e-06 1.214517e-02 2.681521e-03 0.000485 0.000060 True native_MD 7 100 148 -OE1_AB42_11 CD_AB42_16 1 0.000000e+00 1.599114e-06 ; 2.929667e-01 -1.599114e-06 2.432882e-02 4.387064e-03 0.000485 0.000060 True native_MD 7 100 149 -OE1_AB42_11 CE_AB42_16 1 0.000000e+00 1.580454e-06 ; 2.926803e-01 -1.580454e-06 3.693886e-02 5.560942e-03 0.000485 0.000060 True native_MD 7 100 150 +OE1_AB42_11 CB_AB42_16 1 0.000000e+00 1.627268e-06 ; 2.933931e-01 -1.627268e-06 4.949823e-03 2.266506e-03 0.000485 0.000060 True native_MD 7 100 147 +OE1_AB42_11 CG_AB42_16 1 0.000000e+00 1.616205e-06 ; 2.932264e-01 -1.616205e-06 1.214517e-02 2.681521e-03 0.000485 0.000060 True native_MD 7 100 148 +OE1_AB42_11 CD_AB42_16 1 0.000000e+00 1.599109e-06 ; 2.929666e-01 -1.599109e-06 2.432882e-02 4.387064e-03 0.000485 0.000060 True native_MD 7 100 149 +OE1_AB42_11 CE_AB42_16 1 0.000000e+00 1.580449e-06 ; 2.926802e-01 -1.580449e-06 3.693886e-02 5.560942e-03 0.000485 0.000060 True native_MD 7 100 150 OE1_AB42_11 NZ_AB42_16 1 1.285458e-04 2.241405e-08 ; 2.363617e-01 1.843044e-01 3.484078e-02 5.085572e-03 0.000485 0.002166 True native_MD 7 100 151 OE1_AB42_11 C_AB42_16 1 3.840487e-04 4.147662e-07 ; 3.203093e-01 8.890153e-02 8.540967e-04 4.313391e-04 0.000485 0.002166 True native_MD 7 100 152 OE1_AB42_11 O_AB42_16 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 153 OE1_AB42_11 N_AB42_17 1 9.602709e-05 2.114065e-08 ; 2.457277e-01 1.090459e-01 1.560689e-03 6.748071e-04 0.000485 0.002166 True native_MD 7 100 154 OE1_AB42_11 H_AB42_17 1 2.446974e-06 1.824613e-11 ; 1.397731e-01 8.204039e-02 6.955608e-04 9.994614e-05 0.000485 0.005316 True native_MD 7 100 155 OE1_AB42_11 CA_AB42_17 1 5.126699e-04 6.502655e-07 ; 3.290098e-01 1.010473e-01 1.228463e-03 9.620256e-04 0.000485 0.001339 True native_MD 7 100 156 -OE1_AB42_11 CB_AB42_17 1 0.000000e+00 1.631225e-06 ; 2.934525e-01 -1.631225e-06 1.316676e-03 1.054780e-03 0.000485 0.000060 True native_MD 7 100 157 -OE1_AB42_11 CG_AB42_17 1 0.000000e+00 3.368907e-06 ; 3.117351e-01 -3.368907e-06 8.833886e-04 2.875586e-03 0.000485 0.000060 True native_MD 7 100 158 -OE1_AB42_11 CD1_AB42_17 1 0.000000e+00 1.220123e-06 ; 2.864367e-01 -1.220123e-06 7.465704e-04 2.930030e-03 0.000485 0.000060 True native_MD 7 100 159 +OE1_AB42_11 CB_AB42_17 1 0.000000e+00 1.631219e-06 ; 2.934524e-01 -1.631219e-06 1.316676e-03 1.054780e-03 0.000485 0.000060 True native_MD 7 100 157 +OE1_AB42_11 CG_AB42_17 1 0.000000e+00 3.368935e-06 ; 3.117353e-01 -3.368935e-06 8.833886e-04 2.875586e-03 0.000485 0.000060 True native_MD 7 100 158 +OE1_AB42_11 CD1_AB42_17 1 0.000000e+00 1.220124e-06 ; 2.864367e-01 -1.220124e-06 7.465704e-04 2.930030e-03 0.000485 0.000060 True native_MD 7 100 159 OE1_AB42_11 CD2_AB42_17 1 0.000000e+00 1.219231e-06 ; 2.864192e-01 -1.219231e-06 9.533102e-04 2.403637e-03 0.000485 0.000060 True native_MD 7 100 160 OE1_AB42_11 O_AB42_17 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 162 OE1_AB42_11 H_AB42_18 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 164 OE1_AB42_11 CA_AB42_18 1 4.749053e-04 7.402802e-07 ; 3.405113e-01 7.616544e-02 5.834187e-04 8.317215e-04 0.000485 0.001339 True native_MD 7 100 165 -OE1_AB42_11 CB_AB42_18 1 0.000000e+00 3.365480e-06 ; 3.117087e-01 -3.365480e-06 1.198395e-03 2.171060e-03 0.000485 0.000060 True native_MD 7 100 166 -OE1_AB42_11 CG1_AB42_18 1 0.000000e+00 1.217882e-06 ; 2.863928e-01 -1.217882e-06 1.077987e-03 1.420799e-03 0.000485 0.000060 True native_MD 7 100 167 -OE1_AB42_11 CG2_AB42_18 1 0.000000e+00 1.219584e-06 ; 2.864261e-01 -1.219584e-06 7.855472e-04 2.526251e-03 0.000485 0.000060 True native_MD 7 100 168 +OE1_AB42_11 CB_AB42_18 1 0.000000e+00 3.365507e-06 ; 3.117089e-01 -3.365507e-06 1.198395e-03 2.171060e-03 0.000485 0.000060 True native_MD 7 100 166 +OE1_AB42_11 CG1_AB42_18 1 0.000000e+00 1.217883e-06 ; 2.863928e-01 -1.217883e-06 1.077987e-03 1.420799e-03 0.000485 0.000060 True native_MD 7 100 167 +OE1_AB42_11 CG2_AB42_18 1 0.000000e+00 1.219585e-06 ; 2.864261e-01 -1.219585e-06 7.855472e-04 2.526251e-03 0.000485 0.000060 True native_MD 7 100 168 OE1_AB42_11 O_AB42_18 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 170 OE1_AB42_11 H_AB42_19 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 172 -OE1_AB42_11 CA_AB42_19 1 0.000000e+00 3.365655e-06 ; 3.117101e-01 -3.365655e-06 5.178526e-04 1.542826e-03 0.000485 0.001339 True native_MD 7 100 173 -OE1_AB42_11 CB_AB42_19 1 0.000000e+00 1.633731e-06 ; 2.934900e-01 -1.633731e-06 6.793676e-04 1.953517e-03 0.000485 0.000060 True native_MD 7 100 174 +OE1_AB42_11 CA_AB42_19 1 0.000000e+00 3.365683e-06 ; 3.117103e-01 -3.365683e-06 5.178526e-04 1.542826e-03 0.000485 0.001339 True native_MD 7 100 173 +OE1_AB42_11 CB_AB42_19 1 0.000000e+00 1.633725e-06 ; 2.934900e-01 -1.633725e-06 6.793676e-04 1.953517e-03 0.000485 0.000060 True native_MD 7 100 174 OE1_AB42_11 CE1_AB42_19 1 1.751919e-04 1.089479e-07 ; 2.921578e-01 7.042868e-02 4.913847e-04 2.789405e-03 0.000485 0.003309 True native_MD 7 100 178 OE1_AB42_11 CE2_AB42_19 1 1.751919e-04 1.089479e-07 ; 2.921578e-01 7.042868e-02 4.913847e-04 2.789405e-03 0.000485 0.003309 True native_MD 7 100 179 OE1_AB42_11 CZ_AB42_19 1 2.854545e-04 2.747700e-07 ; 3.142235e-01 7.413865e-02 5.958664e-04 3.591432e-03 0.000485 0.003309 True native_MD 7 100 180 OE1_AB42_11 O_AB42_19 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 182 OE1_AB42_11 H_AB42_20 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 184 -OE1_AB42_11 CB_AB42_20 1 0.000000e+00 1.632452e-06 ; 2.934709e-01 -1.632452e-06 8.187352e-04 1.309160e-03 0.000485 0.000060 True native_MD 7 100 186 +OE1_AB42_11 CB_AB42_20 1 0.000000e+00 1.632447e-06 ; 2.934708e-01 -1.632447e-06 8.187352e-04 1.309160e-03 0.000485 0.000060 True native_MD 7 100 186 OE1_AB42_11 CE1_AB42_20 1 4.632270e-04 6.125361e-07 ; 3.313012e-01 8.757819e-02 8.209335e-04 2.897134e-03 0.000485 0.003309 True native_MD 7 100 190 OE1_AB42_11 CE2_AB42_20 1 4.632270e-04 6.125361e-07 ; 3.313012e-01 8.757819e-02 8.209335e-04 2.897134e-03 0.000485 0.003309 True native_MD 7 100 191 OE1_AB42_11 CZ_AB42_20 1 6.138508e-04 9.871052e-07 ; 3.422815e-01 9.543380e-02 1.038496e-03 3.143103e-03 0.000485 0.003309 True native_MD 7 100 192 @@ -24944,20 +24944,20 @@ OE1_AB42_11 H_AB42_21 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000 OE1_AB42_11 CB_AB42_21 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 198 OE1_AB42_11 O_AB42_21 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 200 OE1_AB42_11 H_AB42_22 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 202 -OE1_AB42_11 CB_AB42_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 204 -OE1_AB42_11 CG_AB42_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 205 +OE1_AB42_11 CB_AB42_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 204 +OE1_AB42_11 CG_AB42_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 205 OE1_AB42_11 OE1_AB42_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 207 OE1_AB42_11 OE2_AB42_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 208 OE1_AB42_11 O_AB42_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 210 OE1_AB42_11 H_AB42_23 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 212 -OE1_AB42_11 CB_AB42_23 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 214 +OE1_AB42_11 CB_AB42_23 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 214 OE1_AB42_11 OD1_AB42_23 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 216 OE1_AB42_11 OD2_AB42_23 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 217 OE1_AB42_11 O_AB42_23 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 219 OE1_AB42_11 H_AB42_24 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 221 OE1_AB42_11 CA_AB42_24 1 4.150955e-04 4.476681e-07 ; 3.202344e-01 9.622320e-02 1.063321e-03 5.362419e-04 0.000485 0.001339 True native_MD 7 100 222 -OE1_AB42_11 CB_AB42_24 1 0.000000e+00 3.362169e-06 ; 3.116831e-01 -3.362169e-06 1.173291e-03 1.161373e-03 0.000485 0.000060 True native_MD 7 100 223 -OE1_AB42_11 CG1_AB42_24 1 0.000000e+00 1.217417e-06 ; 2.863837e-01 -1.217417e-06 1.007232e-03 9.680388e-04 0.000485 0.000060 True native_MD 7 100 224 +OE1_AB42_11 CB_AB42_24 1 0.000000e+00 3.362197e-06 ; 3.116833e-01 -3.362197e-06 1.173291e-03 1.161373e-03 0.000485 0.000060 True native_MD 7 100 223 +OE1_AB42_11 CG1_AB42_24 1 0.000000e+00 1.217418e-06 ; 2.863837e-01 -1.217418e-06 1.007232e-03 9.680388e-04 0.000485 0.000060 True native_MD 7 100 224 OE1_AB42_11 CG2_AB42_24 1 0.000000e+00 1.217503e-06 ; 2.863854e-01 -1.217503e-06 8.413273e-04 8.721510e-04 0.000485 0.000060 True native_MD 7 100 225 OE1_AB42_11 C_AB42_24 1 3.802831e-04 4.426908e-07 ; 3.243388e-01 8.166832e-02 6.878589e-04 2.300863e-04 0.000485 0.002166 True native_MD 7 100 226 OE1_AB42_11 O_AB42_24 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 227 @@ -24969,14 +24969,14 @@ OE1_AB42_11 O_AB42_25 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 OE1_AB42_11 N_AB42_26 1 1.448371e-04 4.619380e-08 ; 2.613870e-01 1.135313e-01 1.784893e-03 2.026476e-04 0.000485 0.002166 True native_MD 7 100 233 OE1_AB42_11 H_AB42_26 1 7.606435e-06 1.530187e-10 ; 1.649152e-01 9.452742e-02 1.010706e-03 0.000000e+00 0.000485 0.005316 True native_MD 7 100 234 OE1_AB42_11 CA_AB42_26 1 5.007306e-04 5.233843e-07 ; 3.185685e-01 1.197643e-01 2.150902e-03 4.494581e-04 0.000485 0.001339 True native_MD 7 100 235 -OE1_AB42_11 CB_AB42_26 1 0.000000e+00 1.631290e-06 ; 2.934535e-01 -1.631290e-06 9.462835e-04 7.240825e-04 0.000485 0.000060 True native_MD 7 100 236 +OE1_AB42_11 CB_AB42_26 1 0.000000e+00 1.631284e-06 ; 2.934534e-01 -1.631284e-06 9.462835e-04 7.240825e-04 0.000485 0.000060 True native_MD 7 100 236 OE1_AB42_11 OG_AB42_26 1 6.103513e-05 1.128731e-08 ; 2.386905e-01 8.251052e-02 7.054158e-04 7.581772e-04 0.000485 0.002166 True native_MD 7 100 237 OE1_AB42_11 C_AB42_26 1 3.572826e-04 3.572181e-07 ; 3.162183e-01 8.933675e-02 8.652934e-04 1.021464e-04 0.000485 0.002166 True native_MD 7 100 238 OE1_AB42_11 O_AB42_26 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 239 OE1_AB42_11 N_AB42_27 1 1.069133e-04 2.563685e-08 ; 2.492521e-01 1.114652e-01 1.677873e-03 2.638267e-04 0.000485 0.002166 True native_MD 7 100 240 OE1_AB42_11 H_AB42_27 1 3.563475e-06 3.213189e-11 ; 1.442704e-01 9.879866e-02 1.148515e-03 0.000000e+00 0.000485 0.005316 True native_MD 7 100 241 OE1_AB42_11 CA_AB42_27 1 5.409572e-04 6.510226e-07 ; 3.261411e-01 1.123750e-01 1.724186e-03 4.114636e-04 0.000485 0.001339 True native_MD 7 100 242 -OE1_AB42_11 CB_AB42_27 1 0.000000e+00 1.629756e-06 ; 2.934305e-01 -1.629756e-06 1.937262e-03 7.754371e-04 0.000485 0.000060 True native_MD 7 100 243 +OE1_AB42_11 CB_AB42_27 1 0.000000e+00 1.629751e-06 ; 2.934304e-01 -1.629751e-06 1.937262e-03 7.754371e-04 0.000485 0.000060 True native_MD 7 100 243 OE1_AB42_11 CG_AB42_27 1 4.767628e-04 6.032000e-07 ; 3.288717e-01 9.420704e-02 1.001062e-03 3.554005e-04 0.000485 0.002166 True native_MD 7 100 244 OE1_AB42_11 OD1_AB42_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 245 OE1_AB42_11 ND2_AB42_27 1 1.139154e-04 2.734636e-08 ; 2.492984e-01 1.186330e-01 2.079298e-03 8.331434e-04 0.000485 0.002166 True native_MD 7 100 246 @@ -24985,9 +24985,9 @@ OE1_AB42_11 O_AB42_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 OE1_AB42_11 N_AB42_28 1 1.286941e-04 3.785184e-08 ; 2.578822e-01 1.093881e-01 1.576757e-03 4.009442e-04 0.000485 0.002166 True native_MD 7 100 249 OE1_AB42_11 H_AB42_28 1 5.165819e-06 7.256057e-11 ; 1.553318e-01 9.194279e-02 9.354774e-04 5.003498e-05 0.000485 0.005316 True native_MD 7 100 250 OE1_AB42_11 CA_AB42_28 1 5.764051e-04 8.057334e-07 ; 3.343828e-01 1.030871e-01 1.305786e-03 6.494856e-04 0.000485 0.001339 True native_MD 7 100 251 -OE1_AB42_11 CB_AB42_28 1 0.000000e+00 1.629718e-06 ; 2.934299e-01 -1.629718e-06 1.632235e-03 4.467369e-04 0.000485 0.000060 True native_MD 7 100 252 -OE1_AB42_11 CG_AB42_28 1 0.000000e+00 1.627617e-06 ; 2.933984e-01 -1.627617e-06 2.921829e-03 4.490722e-04 0.000485 0.000060 True native_MD 7 100 253 -OE1_AB42_11 CD_AB42_28 1 0.000000e+00 1.622534e-06 ; 2.933219e-01 -1.622534e-06 6.380953e-03 7.928295e-04 0.000485 0.000060 True native_MD 7 100 254 +OE1_AB42_11 CB_AB42_28 1 0.000000e+00 1.629712e-06 ; 2.934298e-01 -1.629712e-06 1.632235e-03 4.467369e-04 0.000485 0.000060 True native_MD 7 100 252 +OE1_AB42_11 CG_AB42_28 1 0.000000e+00 1.627612e-06 ; 2.933983e-01 -1.627612e-06 2.921829e-03 4.490722e-04 0.000485 0.000060 True native_MD 7 100 253 +OE1_AB42_11 CD_AB42_28 1 0.000000e+00 1.622529e-06 ; 2.933218e-01 -1.622529e-06 6.380953e-03 7.928295e-04 0.000485 0.000060 True native_MD 7 100 254 OE1_AB42_11 CE_AB42_28 1 2.072403e-04 1.416870e-07 ; 2.968083e-01 7.578067e-02 8.463598e-03 8.763125e-04 0.000485 0.000060 True native_MD 7 100 255 OE1_AB42_11 NZ_AB42_28 1 1.138617e-04 2.000361e-08 ; 2.366583e-01 1.620267e-01 7.618875e-03 6.151425e-04 0.000485 0.002166 True native_MD 7 100 256 OE1_AB42_11 C_AB42_28 1 3.964585e-04 5.103696e-07 ; 3.298232e-01 7.699291e-02 5.980461e-04 2.088873e-04 0.000485 0.002166 True native_MD 7 100 257 @@ -25000,17 +25000,17 @@ OE1_AB42_11 O_AB42_29 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 OE1_AB42_11 N_AB42_30 1 7.223201e-05 1.757659e-08 ; 2.498623e-01 7.421041e-02 5.502644e-04 2.563278e-04 0.000485 0.002166 True native_MD 7 100 264 OE1_AB42_11 H_AB42_30 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 265 OE1_AB42_11 CA_AB42_30 1 4.280540e-04 5.352928e-07 ; 3.282329e-01 8.557477e-02 7.731616e-04 5.958662e-04 0.000485 0.001339 True native_MD 7 100 266 -OE1_AB42_11 CB_AB42_30 1 0.000000e+00 1.215946e-06 ; 2.863548e-01 -1.215946e-06 1.872853e-03 6.252936e-04 0.000485 0.000060 True native_MD 7 100 267 +OE1_AB42_11 CB_AB42_30 1 0.000000e+00 1.215947e-06 ; 2.863548e-01 -1.215947e-06 1.872853e-03 6.252936e-04 0.000485 0.000060 True native_MD 7 100 267 OE1_AB42_11 O_AB42_30 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 269 OE1_AB42_11 H_AB42_31 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 271 -OE1_AB42_11 CB_AB42_31 1 0.000000e+00 3.360008e-06 ; 3.116664e-01 -3.360008e-06 8.659522e-04 2.111332e-04 0.000485 0.000060 True native_MD 7 100 273 -OE1_AB42_11 CG1_AB42_31 1 0.000000e+00 1.630649e-06 ; 2.934439e-01 -1.630649e-06 9.584263e-04 3.435307e-04 0.000485 0.000060 True native_MD 7 100 274 +OE1_AB42_11 CB_AB42_31 1 0.000000e+00 3.360035e-06 ; 3.116666e-01 -3.360035e-06 8.659522e-04 2.111332e-04 0.000485 0.000060 True native_MD 7 100 273 +OE1_AB42_11 CG1_AB42_31 1 0.000000e+00 1.630643e-06 ; 2.934438e-01 -1.630643e-06 9.584263e-04 3.435307e-04 0.000485 0.000060 True native_MD 7 100 274 OE1_AB42_11 CG2_AB42_31 1 0.000000e+00 1.216567e-06 ; 2.863670e-01 -1.216567e-06 9.027169e-04 1.648754e-04 0.000485 0.000060 True native_MD 7 100 275 -OE1_AB42_11 CD_AB42_31 1 0.000000e+00 1.216632e-06 ; 2.863683e-01 -1.216632e-06 1.195733e-03 5.116780e-04 0.000485 0.000060 True native_MD 7 100 276 +OE1_AB42_11 CD_AB42_31 1 0.000000e+00 1.216633e-06 ; 2.863683e-01 -1.216633e-06 1.195733e-03 5.116780e-04 0.000485 0.000060 True native_MD 7 100 276 OE1_AB42_11 O_AB42_31 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 278 OE1_AB42_11 H_AB42_32 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 280 -OE1_AB42_11 CB_AB42_32 1 0.000000e+00 3.362445e-06 ; 3.116853e-01 -3.362445e-06 5.751126e-04 6.452866e-04 0.000485 0.000060 True native_MD 7 100 282 -OE1_AB42_11 CG1_AB42_32 1 0.000000e+00 1.631372e-06 ; 2.934547e-01 -1.631372e-06 6.432378e-04 4.715304e-04 0.000485 0.000060 True native_MD 7 100 283 +OE1_AB42_11 CB_AB42_32 1 0.000000e+00 3.362473e-06 ; 3.116855e-01 -3.362473e-06 5.751126e-04 6.452866e-04 0.000485 0.000060 True native_MD 7 100 282 +OE1_AB42_11 CG1_AB42_32 1 0.000000e+00 1.631366e-06 ; 2.934546e-01 -1.631366e-06 6.432378e-04 4.715304e-04 0.000485 0.000060 True native_MD 7 100 283 OE1_AB42_11 CG2_AB42_32 1 0.000000e+00 1.217280e-06 ; 2.863810e-01 -1.217280e-06 7.478760e-04 5.954446e-04 0.000485 0.000060 True native_MD 7 100 284 OE1_AB42_11 CD_AB42_32 1 0.000000e+00 1.217008e-06 ; 2.863757e-01 -1.217008e-06 1.174781e-03 7.993456e-04 0.000485 0.000060 True native_MD 7 100 285 OE1_AB42_11 O_AB42_32 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 287 @@ -25039,7 +25039,7 @@ OE1_AB42_11 O_AB42_35 1 3.420375e-04 3.299806e-07 ; 3.143420e-01 8.863372 OE1_AB42_11 N_AB42_36 1 1.385240e-04 6.084950e-08 ; 2.757118e-01 7.883758e-02 6.319886e-04 4.614141e-05 0.000485 0.002166 True native_MD 7 100 311 OE1_AB42_11 H_AB42_36 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 312 OE1_AB42_11 CA_AB42_36 1 5.592353e-04 6.956339e-07 ; 3.279425e-01 1.123954e-01 1.725237e-03 1.072658e-04 0.000485 0.001339 True native_MD 7 100 313 -OE1_AB42_11 CB_AB42_36 1 0.000000e+00 3.353127e-06 ; 3.116132e-01 -3.353127e-06 3.138226e-03 4.368238e-04 0.000485 0.000060 True native_MD 7 100 314 +OE1_AB42_11 CB_AB42_36 1 0.000000e+00 3.353154e-06 ; 3.116134e-01 -3.353154e-06 3.138226e-03 4.368238e-04 0.000485 0.000060 True native_MD 7 100 314 OE1_AB42_11 CG1_AB42_36 1 0.000000e+00 1.214120e-06 ; 2.863190e-01 -1.214120e-06 3.393418e-03 6.454592e-04 0.000485 0.000060 True native_MD 7 100 315 OE1_AB42_11 CG2_AB42_36 1 2.590076e-04 2.082801e-07 ; 3.049457e-01 8.052249e-02 3.086114e-03 2.772605e-04 0.000485 0.000060 True native_MD 7 100 316 OE1_AB42_11 C_AB42_36 1 3.991947e-04 4.657562e-07 ; 3.244609e-01 8.553639e-02 7.722741e-04 4.915070e-05 0.000485 0.002166 True native_MD 7 100 317 @@ -25062,35 +25062,35 @@ OE1_AB42_11 CG1_AB42_39 1 3.813127e-04 4.884347e-07 ; 3.295497e-01 7.442107 OE1_AB42_11 CG2_AB42_39 1 0.000000e+00 1.216014e-06 ; 2.863562e-01 -1.216014e-06 1.461202e-03 2.691215e-04 0.000485 0.000060 True native_MD 7 100 334 OE1_AB42_11 O_AB42_39 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 336 OE1_AB42_11 H_AB42_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 338 -OE1_AB42_11 CB_AB42_40 1 0.000000e+00 3.360195e-06 ; 3.116679e-01 -3.360195e-06 7.870941e-04 1.878537e-04 0.000485 0.000060 True native_MD 7 100 340 +OE1_AB42_11 CB_AB42_40 1 0.000000e+00 3.360222e-06 ; 3.116681e-01 -3.360222e-06 7.870941e-04 1.878537e-04 0.000485 0.000060 True native_MD 7 100 340 OE1_AB42_11 CG1_AB42_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 341 OE1_AB42_11 CG2_AB42_40 1 0.000000e+00 1.216943e-06 ; 2.863744e-01 -1.216943e-06 6.404285e-04 2.114192e-04 0.000485 0.000060 True native_MD 7 100 342 OE1_AB42_11 O_AB42_40 1 8.632688e-04 2.317374e-06 ; 3.727992e-01 8.039627e-02 6.621663e-04 5.772280e-05 0.000485 0.000060 True native_MD 7 100 344 OE1_AB42_11 H_AB42_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 346 -OE1_AB42_11 CB_AB42_41 1 0.000000e+00 3.361542e-06 ; 3.116783e-01 -3.361542e-06 6.827747e-04 4.842539e-04 0.000485 0.000060 True native_MD 7 100 348 -OE1_AB42_11 CG1_AB42_41 1 0.000000e+00 1.631028e-06 ; 2.934495e-01 -1.631028e-06 7.028633e-04 3.201023e-04 0.000485 0.000060 True native_MD 7 100 349 -OE1_AB42_11 CG2_AB42_41 1 0.000000e+00 1.217969e-06 ; 2.863945e-01 -1.217969e-06 5.269580e-04 9.410621e-04 0.000485 0.000060 True native_MD 7 100 350 -OE1_AB42_11 CD_AB42_41 1 0.000000e+00 1.217295e-06 ; 2.863813e-01 -1.217295e-06 6.947334e-04 5.552802e-04 0.000485 0.000060 True native_MD 7 100 351 +OE1_AB42_11 CB_AB42_41 1 0.000000e+00 3.361569e-06 ; 3.116785e-01 -3.361569e-06 6.827747e-04 4.842539e-04 0.000485 0.000060 True native_MD 7 100 348 +OE1_AB42_11 CG1_AB42_41 1 0.000000e+00 1.631022e-06 ; 2.934495e-01 -1.631022e-06 7.028633e-04 3.201023e-04 0.000485 0.000060 True native_MD 7 100 349 +OE1_AB42_11 CG2_AB42_41 1 0.000000e+00 1.217970e-06 ; 2.863945e-01 -1.217970e-06 5.269580e-04 9.410621e-04 0.000485 0.000060 True native_MD 7 100 350 +OE1_AB42_11 CD_AB42_41 1 0.000000e+00 1.217296e-06 ; 2.863813e-01 -1.217296e-06 6.947334e-04 5.552802e-04 0.000485 0.000060 True native_MD 7 100 351 OE1_AB42_11 O_AB42_41 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 353 OE1_AB42_11 H_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 355 -OE1_AB42_11 CB_AB42_42 1 0.000000e+00 1.217262e-06 ; 2.863807e-01 -1.217262e-06 5.526344e-04 3.861148e-04 0.000485 0.000060 True native_MD 7 100 357 +OE1_AB42_11 CB_AB42_42 1 0.000000e+00 1.217263e-06 ; 2.863807e-01 -1.217263e-06 5.526344e-04 3.861148e-04 0.000485 0.000060 True native_MD 7 100 357 OE1_AB42_11 O1_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 359 OE1_AB42_11 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 360 OE2_AB42_11 OE2_AB42_11 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 101 101 -OE2_AB42_11 C_AB42_11 1 0.000000e+00 6.219977e-07 ; 2.707971e-01 -6.219977e-07 9.942120e-02 2.860612e-02 0.000485 0.000060 True native_MD 5 101 102 +OE2_AB42_11 C_AB42_11 1 0.000000e+00 6.219949e-07 ; 2.707970e-01 -6.219949e-07 9.942120e-02 2.860612e-02 0.000485 0.000060 True native_MD 5 101 102 OE2_AB42_11 O_AB42_11 1 0.000000e+00 1.481581e-06 ; 2.911089e-01 -1.481581e-06 6.670663e-02 5.442758e-02 0.000485 0.000060 True native_MD 6 101 103 OE2_AB42_11 N_AB42_12 1 0.000000e+00 1.347753e-06 ; 2.888213e-01 -1.347753e-06 1.227175e-01 2.121982e-02 0.000485 0.000060 True native_MD 6 101 104 OE2_AB42_11 H_AB42_12 1 1.054449e-05 1.236861e-10 ; 1.507356e-01 2.247349e-01 4.976085e-02 1.576032e-03 0.000485 0.005316 True native_MD 7 101 105 OE2_AB42_11 CA_AB42_12 1 1.401943e-03 2.583025e-06 ; 3.501330e-01 1.902270e-01 5.571093e-02 4.209915e-03 0.000485 0.001339 True native_MD 7 101 106 OE2_AB42_11 CB_AB42_12 1 6.838676e-04 1.332526e-06 ; 3.534142e-01 8.774215e-02 4.824479e-02 3.492167e-03 0.000485 0.000060 True native_MD 7 101 107 -OE2_AB42_11 CG1_AB42_12 1 0.000000e+00 1.196521e-06 ; 2.859708e-01 -1.196521e-06 2.323455e-02 6.031737e-03 0.000485 0.000060 True native_MD 7 101 108 +OE2_AB42_11 CG1_AB42_12 1 0.000000e+00 1.196522e-06 ; 2.859708e-01 -1.196522e-06 2.323455e-02 6.031737e-03 0.000485 0.000060 True native_MD 7 101 108 OE2_AB42_11 CG2_AB42_12 1 0.000000e+00 1.172371e-06 ; 2.854853e-01 -1.172371e-06 4.350565e-02 6.466453e-03 0.000485 0.000060 True native_MD 7 101 109 OE2_AB42_11 C_AB42_12 1 1.294172e-03 2.077461e-06 ; 3.421817e-01 2.015538e-01 2.486632e-02 7.312730e-04 0.000485 0.002166 True native_MD 7 101 110 OE2_AB42_11 O_AB42_12 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 101 111 OE2_AB42_11 N_AB42_13 1 2.253081e-04 6.661787e-08 ; 2.581085e-01 1.905035e-01 4.286253e-02 5.197119e-03 0.000485 0.002166 True native_MD 7 101 112 OE2_AB42_11 H_AB42_13 1 1.029229e-05 1.301388e-10 ; 1.526332e-01 2.034969e-01 2.635510e-02 5.436191e-04 0.000485 0.005316 True native_MD 7 101 113 OE2_AB42_11 CA_AB42_13 1 8.393804e-04 1.103840e-06 ; 3.309974e-01 1.595701e-01 3.856682e-02 7.294309e-03 0.000485 0.001339 True native_MD 7 101 114 -OE2_AB42_11 CB_AB42_13 1 0.000000e+00 1.573860e-06 ; 2.925783e-01 -1.573860e-06 4.706338e-02 1.164418e-02 0.000485 0.000060 True native_MD 7 101 115 +OE2_AB42_11 CB_AB42_13 1 0.000000e+00 1.573855e-06 ; 2.925783e-01 -1.573855e-06 4.706338e-02 1.164418e-02 0.000485 0.000060 True native_MD 7 101 115 OE2_AB42_11 CG_AB42_13 1 7.070830e-04 8.045505e-07 ; 3.231076e-01 1.553558e-01 1.424902e-02 4.946139e-03 0.000485 0.002166 True native_MD 7 101 116 OE2_AB42_11 ND1_AB42_13 1 1.145834e-03 1.918537e-06 ; 3.445943e-01 1.710856e-01 4.925965e-02 1.067939e-02 0.000485 0.002166 True native_MD 7 101 117 OE2_AB42_11 CD2_AB42_13 1 3.837938e-04 2.173226e-07 ; 2.876302e-01 1.694458e-01 3.083291e-02 1.072649e-02 0.000485 0.003309 True native_MD 7 101 118 @@ -25101,7 +25101,7 @@ OE2_AB42_11 O_AB42_13 1 0.000000e+00 1.479885e-06 ; 2.910811e-01 -1.479885 OE2_AB42_11 N_AB42_14 1 2.178983e-04 7.215351e-08 ; 2.630272e-01 1.645093e-01 1.910204e-02 5.042000e-03 0.000485 0.002166 True native_MD 7 101 123 OE2_AB42_11 H_AB42_14 1 6.165651e-06 7.179333e-11 ; 1.505512e-01 1.323774e-01 3.137241e-03 4.734479e-04 0.000485 0.005316 True native_MD 7 101 124 OE2_AB42_11 CA_AB42_14 1 8.201136e-04 1.317243e-06 ; 3.422147e-01 1.276504e-01 1.722826e-02 8.469569e-03 0.000485 0.001339 True native_MD 7 101 125 -OE2_AB42_11 CB_AB42_14 1 0.000000e+00 1.597205e-06 ; 2.929376e-01 -1.597205e-06 3.294227e-02 1.183029e-02 0.000485 0.000060 True native_MD 7 101 126 +OE2_AB42_11 CB_AB42_14 1 0.000000e+00 1.597199e-06 ; 2.929375e-01 -1.597199e-06 3.294227e-02 1.183029e-02 0.000485 0.000060 True native_MD 7 101 126 OE2_AB42_11 CG_AB42_14 1 5.740218e-04 6.166823e-07 ; 3.200286e-01 1.335781e-01 1.406724e-02 9.369739e-03 0.000485 0.002166 True native_MD 7 101 127 OE2_AB42_11 ND1_AB42_14 1 6.732459e-04 8.621149e-07 ; 3.295327e-01 1.314384e-01 1.351630e-02 9.598299e-03 0.000485 0.002166 True native_MD 7 101 128 OE2_AB42_11 CD2_AB42_14 1 5.552799e-04 4.136153e-07 ; 3.010792e-01 1.863662e-01 5.485403e-02 1.150119e-02 0.000485 0.003309 True native_MD 7 101 129 @@ -25112,8 +25112,8 @@ OE2_AB42_11 O_AB42_14 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 OE2_AB42_11 N_AB42_15 1 1.846510e-04 6.602466e-08 ; 2.664152e-01 1.291033e-01 2.891652e-03 2.202059e-03 0.000485 0.002166 True native_MD 7 101 134 OE2_AB42_11 H_AB42_15 1 4.919967e-06 7.116812e-11 ; 1.560944e-01 8.503130e-02 7.606887e-04 3.092204e-04 0.000485 0.005316 True native_MD 7 101 135 OE2_AB42_11 CA_AB42_15 1 4.493189e-04 4.491012e-07 ; 3.162022e-01 1.123842e-01 3.241991e-03 2.516760e-03 0.000485 0.001339 True native_MD 7 101 136 -OE2_AB42_11 CB_AB42_15 1 0.000000e+00 1.629649e-06 ; 2.934289e-01 -1.629649e-06 3.182466e-03 1.954962e-03 0.000485 0.000060 True native_MD 7 101 137 -OE2_AB42_11 CG_AB42_15 1 0.000000e+00 1.627253e-06 ; 2.933929e-01 -1.627253e-06 6.696763e-03 4.000769e-03 0.000485 0.000060 True native_MD 7 101 138 +OE2_AB42_11 CB_AB42_15 1 0.000000e+00 1.629644e-06 ; 2.934288e-01 -1.629644e-06 3.182466e-03 1.954962e-03 0.000485 0.000060 True native_MD 7 101 137 +OE2_AB42_11 CG_AB42_15 1 0.000000e+00 1.627248e-06 ; 2.933928e-01 -1.627248e-06 6.696763e-03 4.000769e-03 0.000485 0.000060 True native_MD 7 101 138 OE2_AB42_11 CD_AB42_15 1 7.758281e-04 1.115744e-06 ; 3.359695e-01 1.348672e-01 5.384077e-03 3.450450e-03 0.000485 0.002166 True native_MD 7 101 139 OE2_AB42_11 OE1_AB42_15 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 101 140 OE2_AB42_11 NE2_AB42_15 1 1.594604e-04 4.318132e-08 ; 2.543551e-01 1.472141e-01 1.313276e-02 5.816544e-03 0.000485 0.002166 True native_MD 7 101 141 @@ -25122,36 +25122,36 @@ OE2_AB42_11 O_AB42_15 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 OE2_AB42_11 N_AB42_16 1 1.229559e-04 3.152032e-08 ; 2.520424e-01 1.199079e-01 2.160164e-03 1.241762e-03 0.000485 0.002166 True native_MD 7 101 144 OE2_AB42_11 H_AB42_16 1 5.020399e-06 7.497480e-11 ; 1.569265e-01 8.404291e-02 7.385182e-04 9.244242e-05 0.000485 0.005316 True native_MD 7 101 145 OE2_AB42_11 CA_AB42_16 1 6.706791e-04 8.726560e-07 ; 3.304112e-01 1.288625e-01 3.853829e-03 1.827088e-03 0.000485 0.001339 True native_MD 7 101 146 -OE2_AB42_11 CB_AB42_16 1 0.000000e+00 1.627274e-06 ; 2.933932e-01 -1.627274e-06 4.949823e-03 2.266506e-03 0.000485 0.000060 True native_MD 7 101 147 -OE2_AB42_11 CG_AB42_16 1 0.000000e+00 1.616211e-06 ; 2.932265e-01 -1.616211e-06 1.214517e-02 2.681521e-03 0.000485 0.000060 True native_MD 7 101 148 -OE2_AB42_11 CD_AB42_16 1 0.000000e+00 1.599114e-06 ; 2.929667e-01 -1.599114e-06 2.432882e-02 4.387064e-03 0.000485 0.000060 True native_MD 7 101 149 -OE2_AB42_11 CE_AB42_16 1 0.000000e+00 1.580454e-06 ; 2.926803e-01 -1.580454e-06 3.693886e-02 5.560942e-03 0.000485 0.000060 True native_MD 7 101 150 +OE2_AB42_11 CB_AB42_16 1 0.000000e+00 1.627268e-06 ; 2.933931e-01 -1.627268e-06 4.949823e-03 2.266506e-03 0.000485 0.000060 True native_MD 7 101 147 +OE2_AB42_11 CG_AB42_16 1 0.000000e+00 1.616205e-06 ; 2.932264e-01 -1.616205e-06 1.214517e-02 2.681521e-03 0.000485 0.000060 True native_MD 7 101 148 +OE2_AB42_11 CD_AB42_16 1 0.000000e+00 1.599109e-06 ; 2.929666e-01 -1.599109e-06 2.432882e-02 4.387064e-03 0.000485 0.000060 True native_MD 7 101 149 +OE2_AB42_11 CE_AB42_16 1 0.000000e+00 1.580449e-06 ; 2.926802e-01 -1.580449e-06 3.693886e-02 5.560942e-03 0.000485 0.000060 True native_MD 7 101 150 OE2_AB42_11 NZ_AB42_16 1 1.285458e-04 2.241405e-08 ; 2.363617e-01 1.843044e-01 3.484078e-02 5.085572e-03 0.000485 0.002166 True native_MD 7 101 151 OE2_AB42_11 C_AB42_16 1 3.840487e-04 4.147662e-07 ; 3.203093e-01 8.890153e-02 8.540967e-04 4.313391e-04 0.000485 0.002166 True native_MD 7 101 152 OE2_AB42_11 O_AB42_16 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 101 153 OE2_AB42_11 N_AB42_17 1 9.602709e-05 2.114065e-08 ; 2.457277e-01 1.090459e-01 1.560689e-03 6.748071e-04 0.000485 0.002166 True native_MD 7 101 154 OE2_AB42_11 H_AB42_17 1 2.446974e-06 1.824613e-11 ; 1.397731e-01 8.204039e-02 6.955608e-04 9.994614e-05 0.000485 0.005316 True native_MD 7 101 155 OE2_AB42_11 CA_AB42_17 1 5.126699e-04 6.502655e-07 ; 3.290098e-01 1.010473e-01 1.228463e-03 9.620256e-04 0.000485 0.001339 True native_MD 7 101 156 -OE2_AB42_11 CB_AB42_17 1 0.000000e+00 1.631225e-06 ; 2.934525e-01 -1.631225e-06 1.316676e-03 1.054780e-03 0.000485 0.000060 True native_MD 7 101 157 -OE2_AB42_11 CG_AB42_17 1 0.000000e+00 3.368907e-06 ; 3.117351e-01 -3.368907e-06 8.833886e-04 2.875586e-03 0.000485 0.000060 True native_MD 7 101 158 -OE2_AB42_11 CD1_AB42_17 1 0.000000e+00 1.220123e-06 ; 2.864367e-01 -1.220123e-06 7.465704e-04 2.930030e-03 0.000485 0.000060 True native_MD 7 101 159 +OE2_AB42_11 CB_AB42_17 1 0.000000e+00 1.631219e-06 ; 2.934524e-01 -1.631219e-06 1.316676e-03 1.054780e-03 0.000485 0.000060 True native_MD 7 101 157 +OE2_AB42_11 CG_AB42_17 1 0.000000e+00 3.368935e-06 ; 3.117353e-01 -3.368935e-06 8.833886e-04 2.875586e-03 0.000485 0.000060 True native_MD 7 101 158 +OE2_AB42_11 CD1_AB42_17 1 0.000000e+00 1.220124e-06 ; 2.864367e-01 -1.220124e-06 7.465704e-04 2.930030e-03 0.000485 0.000060 True native_MD 7 101 159 OE2_AB42_11 CD2_AB42_17 1 0.000000e+00 1.219231e-06 ; 2.864192e-01 -1.219231e-06 9.533102e-04 2.403637e-03 0.000485 0.000060 True native_MD 7 101 160 OE2_AB42_11 O_AB42_17 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 101 162 OE2_AB42_11 H_AB42_18 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 101 164 OE2_AB42_11 CA_AB42_18 1 4.749053e-04 7.402802e-07 ; 3.405113e-01 7.616544e-02 5.834187e-04 8.317215e-04 0.000485 0.001339 True native_MD 7 101 165 -OE2_AB42_11 CB_AB42_18 1 0.000000e+00 3.365480e-06 ; 3.117087e-01 -3.365480e-06 1.198395e-03 2.171060e-03 0.000485 0.000060 True native_MD 7 101 166 -OE2_AB42_11 CG1_AB42_18 1 0.000000e+00 1.217882e-06 ; 2.863928e-01 -1.217882e-06 1.077987e-03 1.420799e-03 0.000485 0.000060 True native_MD 7 101 167 -OE2_AB42_11 CG2_AB42_18 1 0.000000e+00 1.219584e-06 ; 2.864261e-01 -1.219584e-06 7.855472e-04 2.526251e-03 0.000485 0.000060 True native_MD 7 101 168 +OE2_AB42_11 CB_AB42_18 1 0.000000e+00 3.365507e-06 ; 3.117089e-01 -3.365507e-06 1.198395e-03 2.171060e-03 0.000485 0.000060 True native_MD 7 101 166 +OE2_AB42_11 CG1_AB42_18 1 0.000000e+00 1.217883e-06 ; 2.863928e-01 -1.217883e-06 1.077987e-03 1.420799e-03 0.000485 0.000060 True native_MD 7 101 167 +OE2_AB42_11 CG2_AB42_18 1 0.000000e+00 1.219585e-06 ; 2.864261e-01 -1.219585e-06 7.855472e-04 2.526251e-03 0.000485 0.000060 True native_MD 7 101 168 OE2_AB42_11 O_AB42_18 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 101 170 OE2_AB42_11 H_AB42_19 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 101 172 -OE2_AB42_11 CA_AB42_19 1 0.000000e+00 3.365655e-06 ; 3.117101e-01 -3.365655e-06 5.178526e-04 1.542826e-03 0.000485 0.001339 True native_MD 7 101 173 -OE2_AB42_11 CB_AB42_19 1 0.000000e+00 1.633731e-06 ; 2.934900e-01 -1.633731e-06 6.793676e-04 1.953517e-03 0.000485 0.000060 True native_MD 7 101 174 +OE2_AB42_11 CA_AB42_19 1 0.000000e+00 3.365683e-06 ; 3.117103e-01 -3.365683e-06 5.178526e-04 1.542826e-03 0.000485 0.001339 True native_MD 7 101 173 +OE2_AB42_11 CB_AB42_19 1 0.000000e+00 1.633725e-06 ; 2.934900e-01 -1.633725e-06 6.793676e-04 1.953517e-03 0.000485 0.000060 True native_MD 7 101 174 OE2_AB42_11 CE1_AB42_19 1 1.751919e-04 1.089479e-07 ; 2.921578e-01 7.042868e-02 4.913847e-04 2.789405e-03 0.000485 0.003309 True native_MD 7 101 178 OE2_AB42_11 CE2_AB42_19 1 1.751919e-04 1.089479e-07 ; 2.921578e-01 7.042868e-02 4.913847e-04 2.789405e-03 0.000485 0.003309 True native_MD 7 101 179 OE2_AB42_11 CZ_AB42_19 1 2.854545e-04 2.747700e-07 ; 3.142235e-01 7.413865e-02 5.958664e-04 3.591432e-03 0.000485 0.003309 True native_MD 7 101 180 OE2_AB42_11 O_AB42_19 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 101 182 OE2_AB42_11 H_AB42_20 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 101 184 -OE2_AB42_11 CB_AB42_20 1 0.000000e+00 1.632452e-06 ; 2.934709e-01 -1.632452e-06 8.187352e-04 1.309160e-03 0.000485 0.000060 True native_MD 7 101 186 +OE2_AB42_11 CB_AB42_20 1 0.000000e+00 1.632447e-06 ; 2.934708e-01 -1.632447e-06 8.187352e-04 1.309160e-03 0.000485 0.000060 True native_MD 7 101 186 OE2_AB42_11 CE1_AB42_20 1 4.632270e-04 6.125361e-07 ; 3.313012e-01 8.757819e-02 8.209335e-04 2.897134e-03 0.000485 0.003309 True native_MD 7 101 190 OE2_AB42_11 CE2_AB42_20 1 4.632270e-04 6.125361e-07 ; 3.313012e-01 8.757819e-02 8.209335e-04 2.897134e-03 0.000485 0.003309 True native_MD 7 101 191 OE2_AB42_11 CZ_AB42_20 1 6.138508e-04 9.871052e-07 ; 3.422815e-01 9.543380e-02 1.038496e-03 3.143103e-03 0.000485 0.003309 True native_MD 7 101 192 @@ -25160,20 +25160,20 @@ OE2_AB42_11 H_AB42_21 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000 OE2_AB42_11 CB_AB42_21 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 101 198 OE2_AB42_11 O_AB42_21 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 101 200 OE2_AB42_11 H_AB42_22 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 101 202 -OE2_AB42_11 CB_AB42_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 101 204 -OE2_AB42_11 CG_AB42_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 101 205 +OE2_AB42_11 CB_AB42_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 101 204 +OE2_AB42_11 CG_AB42_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 101 205 OE2_AB42_11 OE1_AB42_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 101 207 OE2_AB42_11 OE2_AB42_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 101 208 OE2_AB42_11 O_AB42_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 101 210 OE2_AB42_11 H_AB42_23 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 101 212 -OE2_AB42_11 CB_AB42_23 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 101 214 +OE2_AB42_11 CB_AB42_23 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 101 214 OE2_AB42_11 OD1_AB42_23 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 101 216 OE2_AB42_11 OD2_AB42_23 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 101 217 OE2_AB42_11 O_AB42_23 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 101 219 OE2_AB42_11 H_AB42_24 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 101 221 OE2_AB42_11 CA_AB42_24 1 4.150955e-04 4.476681e-07 ; 3.202344e-01 9.622320e-02 1.063321e-03 5.362419e-04 0.000485 0.001339 True native_MD 7 101 222 -OE2_AB42_11 CB_AB42_24 1 0.000000e+00 3.362169e-06 ; 3.116831e-01 -3.362169e-06 1.173291e-03 1.161373e-03 0.000485 0.000060 True native_MD 7 101 223 -OE2_AB42_11 CG1_AB42_24 1 0.000000e+00 1.217417e-06 ; 2.863837e-01 -1.217417e-06 1.007232e-03 9.680388e-04 0.000485 0.000060 True native_MD 7 101 224 +OE2_AB42_11 CB_AB42_24 1 0.000000e+00 3.362197e-06 ; 3.116833e-01 -3.362197e-06 1.173291e-03 1.161373e-03 0.000485 0.000060 True native_MD 7 101 223 +OE2_AB42_11 CG1_AB42_24 1 0.000000e+00 1.217418e-06 ; 2.863837e-01 -1.217418e-06 1.007232e-03 9.680388e-04 0.000485 0.000060 True native_MD 7 101 224 OE2_AB42_11 CG2_AB42_24 1 0.000000e+00 1.217503e-06 ; 2.863854e-01 -1.217503e-06 8.413273e-04 8.721510e-04 0.000485 0.000060 True native_MD 7 101 225 OE2_AB42_11 C_AB42_24 1 3.802831e-04 4.426908e-07 ; 3.243388e-01 8.166832e-02 6.878589e-04 2.300863e-04 0.000485 0.002166 True native_MD 7 101 226 OE2_AB42_11 O_AB42_24 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 101 227 @@ -25185,14 +25185,14 @@ OE2_AB42_11 O_AB42_25 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 OE2_AB42_11 N_AB42_26 1 1.448371e-04 4.619380e-08 ; 2.613870e-01 1.135313e-01 1.784893e-03 2.026476e-04 0.000485 0.002166 True native_MD 7 101 233 OE2_AB42_11 H_AB42_26 1 7.606435e-06 1.530187e-10 ; 1.649152e-01 9.452742e-02 1.010706e-03 0.000000e+00 0.000485 0.005316 True native_MD 7 101 234 OE2_AB42_11 CA_AB42_26 1 5.007306e-04 5.233843e-07 ; 3.185685e-01 1.197643e-01 2.150902e-03 4.494581e-04 0.000485 0.001339 True native_MD 7 101 235 -OE2_AB42_11 CB_AB42_26 1 0.000000e+00 1.631290e-06 ; 2.934535e-01 -1.631290e-06 9.462835e-04 7.240825e-04 0.000485 0.000060 True native_MD 7 101 236 +OE2_AB42_11 CB_AB42_26 1 0.000000e+00 1.631284e-06 ; 2.934534e-01 -1.631284e-06 9.462835e-04 7.240825e-04 0.000485 0.000060 True native_MD 7 101 236 OE2_AB42_11 OG_AB42_26 1 6.103513e-05 1.128731e-08 ; 2.386905e-01 8.251052e-02 7.054158e-04 7.581772e-04 0.000485 0.002166 True native_MD 7 101 237 OE2_AB42_11 C_AB42_26 1 3.572826e-04 3.572181e-07 ; 3.162183e-01 8.933675e-02 8.652934e-04 1.021464e-04 0.000485 0.002166 True native_MD 7 101 238 OE2_AB42_11 O_AB42_26 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 101 239 OE2_AB42_11 N_AB42_27 1 1.069133e-04 2.563685e-08 ; 2.492521e-01 1.114652e-01 1.677873e-03 2.638267e-04 0.000485 0.002166 True native_MD 7 101 240 OE2_AB42_11 H_AB42_27 1 3.563475e-06 3.213189e-11 ; 1.442704e-01 9.879866e-02 1.148515e-03 0.000000e+00 0.000485 0.005316 True native_MD 7 101 241 OE2_AB42_11 CA_AB42_27 1 5.409572e-04 6.510226e-07 ; 3.261411e-01 1.123750e-01 1.724186e-03 4.114636e-04 0.000485 0.001339 True native_MD 7 101 242 -OE2_AB42_11 CB_AB42_27 1 0.000000e+00 1.629756e-06 ; 2.934305e-01 -1.629756e-06 1.937262e-03 7.754371e-04 0.000485 0.000060 True native_MD 7 101 243 +OE2_AB42_11 CB_AB42_27 1 0.000000e+00 1.629751e-06 ; 2.934304e-01 -1.629751e-06 1.937262e-03 7.754371e-04 0.000485 0.000060 True native_MD 7 101 243 OE2_AB42_11 CG_AB42_27 1 4.767628e-04 6.032000e-07 ; 3.288717e-01 9.420704e-02 1.001062e-03 3.554005e-04 0.000485 0.002166 True native_MD 7 101 244 OE2_AB42_11 OD1_AB42_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 101 245 OE2_AB42_11 ND2_AB42_27 1 1.139154e-04 2.734636e-08 ; 2.492984e-01 1.186330e-01 2.079298e-03 8.331434e-04 0.000485 0.002166 True native_MD 7 101 246 @@ -25201,9 +25201,9 @@ OE2_AB42_11 O_AB42_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 OE2_AB42_11 N_AB42_28 1 1.286941e-04 3.785184e-08 ; 2.578822e-01 1.093881e-01 1.576757e-03 4.009442e-04 0.000485 0.002166 True native_MD 7 101 249 OE2_AB42_11 H_AB42_28 1 5.165819e-06 7.256057e-11 ; 1.553318e-01 9.194279e-02 9.354774e-04 5.003498e-05 0.000485 0.005316 True native_MD 7 101 250 OE2_AB42_11 CA_AB42_28 1 5.764051e-04 8.057334e-07 ; 3.343828e-01 1.030871e-01 1.305786e-03 6.494856e-04 0.000485 0.001339 True native_MD 7 101 251 -OE2_AB42_11 CB_AB42_28 1 0.000000e+00 1.629718e-06 ; 2.934299e-01 -1.629718e-06 1.632235e-03 4.467369e-04 0.000485 0.000060 True native_MD 7 101 252 -OE2_AB42_11 CG_AB42_28 1 0.000000e+00 1.627617e-06 ; 2.933984e-01 -1.627617e-06 2.921829e-03 4.490722e-04 0.000485 0.000060 True native_MD 7 101 253 -OE2_AB42_11 CD_AB42_28 1 0.000000e+00 1.622534e-06 ; 2.933219e-01 -1.622534e-06 6.380953e-03 7.928295e-04 0.000485 0.000060 True native_MD 7 101 254 +OE2_AB42_11 CB_AB42_28 1 0.000000e+00 1.629712e-06 ; 2.934298e-01 -1.629712e-06 1.632235e-03 4.467369e-04 0.000485 0.000060 True native_MD 7 101 252 +OE2_AB42_11 CG_AB42_28 1 0.000000e+00 1.627612e-06 ; 2.933983e-01 -1.627612e-06 2.921829e-03 4.490722e-04 0.000485 0.000060 True native_MD 7 101 253 +OE2_AB42_11 CD_AB42_28 1 0.000000e+00 1.622529e-06 ; 2.933218e-01 -1.622529e-06 6.380953e-03 7.928295e-04 0.000485 0.000060 True native_MD 7 101 254 OE2_AB42_11 CE_AB42_28 1 2.072403e-04 1.416870e-07 ; 2.968083e-01 7.578067e-02 8.463598e-03 8.763125e-04 0.000485 0.000060 True native_MD 7 101 255 OE2_AB42_11 NZ_AB42_28 1 1.138617e-04 2.000361e-08 ; 2.366583e-01 1.620267e-01 7.618875e-03 6.151425e-04 0.000485 0.002166 True native_MD 7 101 256 OE2_AB42_11 C_AB42_28 1 3.964585e-04 5.103696e-07 ; 3.298232e-01 7.699291e-02 5.980461e-04 2.088873e-04 0.000485 0.002166 True native_MD 7 101 257 @@ -25216,17 +25216,17 @@ OE2_AB42_11 O_AB42_29 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 OE2_AB42_11 N_AB42_30 1 7.223201e-05 1.757659e-08 ; 2.498623e-01 7.421041e-02 5.502644e-04 2.563278e-04 0.000485 0.002166 True native_MD 7 101 264 OE2_AB42_11 H_AB42_30 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 101 265 OE2_AB42_11 CA_AB42_30 1 4.280540e-04 5.352928e-07 ; 3.282329e-01 8.557477e-02 7.731616e-04 5.958662e-04 0.000485 0.001339 True native_MD 7 101 266 -OE2_AB42_11 CB_AB42_30 1 0.000000e+00 1.215946e-06 ; 2.863548e-01 -1.215946e-06 1.872853e-03 6.252936e-04 0.000485 0.000060 True native_MD 7 101 267 +OE2_AB42_11 CB_AB42_30 1 0.000000e+00 1.215947e-06 ; 2.863548e-01 -1.215947e-06 1.872853e-03 6.252936e-04 0.000485 0.000060 True native_MD 7 101 267 OE2_AB42_11 O_AB42_30 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 101 269 OE2_AB42_11 H_AB42_31 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 101 271 -OE2_AB42_11 CB_AB42_31 1 0.000000e+00 3.360008e-06 ; 3.116664e-01 -3.360008e-06 8.659522e-04 2.111332e-04 0.000485 0.000060 True native_MD 7 101 273 -OE2_AB42_11 CG1_AB42_31 1 0.000000e+00 1.630649e-06 ; 2.934439e-01 -1.630649e-06 9.584263e-04 3.435307e-04 0.000485 0.000060 True native_MD 7 101 274 +OE2_AB42_11 CB_AB42_31 1 0.000000e+00 3.360035e-06 ; 3.116666e-01 -3.360035e-06 8.659522e-04 2.111332e-04 0.000485 0.000060 True native_MD 7 101 273 +OE2_AB42_11 CG1_AB42_31 1 0.000000e+00 1.630643e-06 ; 2.934438e-01 -1.630643e-06 9.584263e-04 3.435307e-04 0.000485 0.000060 True native_MD 7 101 274 OE2_AB42_11 CG2_AB42_31 1 0.000000e+00 1.216567e-06 ; 2.863670e-01 -1.216567e-06 9.027169e-04 1.648754e-04 0.000485 0.000060 True native_MD 7 101 275 -OE2_AB42_11 CD_AB42_31 1 0.000000e+00 1.216632e-06 ; 2.863683e-01 -1.216632e-06 1.195733e-03 5.116780e-04 0.000485 0.000060 True native_MD 7 101 276 +OE2_AB42_11 CD_AB42_31 1 0.000000e+00 1.216633e-06 ; 2.863683e-01 -1.216633e-06 1.195733e-03 5.116780e-04 0.000485 0.000060 True native_MD 7 101 276 OE2_AB42_11 O_AB42_31 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 101 278 OE2_AB42_11 H_AB42_32 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 101 280 -OE2_AB42_11 CB_AB42_32 1 0.000000e+00 3.362445e-06 ; 3.116853e-01 -3.362445e-06 5.751126e-04 6.452866e-04 0.000485 0.000060 True native_MD 7 101 282 -OE2_AB42_11 CG1_AB42_32 1 0.000000e+00 1.631372e-06 ; 2.934547e-01 -1.631372e-06 6.432378e-04 4.715304e-04 0.000485 0.000060 True native_MD 7 101 283 +OE2_AB42_11 CB_AB42_32 1 0.000000e+00 3.362473e-06 ; 3.116855e-01 -3.362473e-06 5.751126e-04 6.452866e-04 0.000485 0.000060 True native_MD 7 101 282 +OE2_AB42_11 CG1_AB42_32 1 0.000000e+00 1.631366e-06 ; 2.934546e-01 -1.631366e-06 6.432378e-04 4.715304e-04 0.000485 0.000060 True native_MD 7 101 283 OE2_AB42_11 CG2_AB42_32 1 0.000000e+00 1.217280e-06 ; 2.863810e-01 -1.217280e-06 7.478760e-04 5.954446e-04 0.000485 0.000060 True native_MD 7 101 284 OE2_AB42_11 CD_AB42_32 1 0.000000e+00 1.217008e-06 ; 2.863757e-01 -1.217008e-06 1.174781e-03 7.993456e-04 0.000485 0.000060 True native_MD 7 101 285 OE2_AB42_11 O_AB42_32 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 101 287 @@ -25255,7 +25255,7 @@ OE2_AB42_11 O_AB42_35 1 3.420375e-04 3.299806e-07 ; 3.143420e-01 8.863372 OE2_AB42_11 N_AB42_36 1 1.385240e-04 6.084950e-08 ; 2.757118e-01 7.883758e-02 6.319886e-04 4.614141e-05 0.000485 0.002166 True native_MD 7 101 311 OE2_AB42_11 H_AB42_36 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 101 312 OE2_AB42_11 CA_AB42_36 1 5.592353e-04 6.956339e-07 ; 3.279425e-01 1.123954e-01 1.725237e-03 1.072658e-04 0.000485 0.001339 True native_MD 7 101 313 -OE2_AB42_11 CB_AB42_36 1 0.000000e+00 3.353127e-06 ; 3.116132e-01 -3.353127e-06 3.138226e-03 4.368238e-04 0.000485 0.000060 True native_MD 7 101 314 +OE2_AB42_11 CB_AB42_36 1 0.000000e+00 3.353154e-06 ; 3.116134e-01 -3.353154e-06 3.138226e-03 4.368238e-04 0.000485 0.000060 True native_MD 7 101 314 OE2_AB42_11 CG1_AB42_36 1 0.000000e+00 1.214120e-06 ; 2.863190e-01 -1.214120e-06 3.393418e-03 6.454592e-04 0.000485 0.000060 True native_MD 7 101 315 OE2_AB42_11 CG2_AB42_36 1 2.590076e-04 2.082801e-07 ; 3.049457e-01 8.052249e-02 3.086114e-03 2.772605e-04 0.000485 0.000060 True native_MD 7 101 316 OE2_AB42_11 C_AB42_36 1 3.991947e-04 4.657562e-07 ; 3.244609e-01 8.553639e-02 7.722741e-04 4.915070e-05 0.000485 0.002166 True native_MD 7 101 317 @@ -25278,37 +25278,37 @@ OE2_AB42_11 CG1_AB42_39 1 3.813127e-04 4.884347e-07 ; 3.295497e-01 7.442107 OE2_AB42_11 CG2_AB42_39 1 0.000000e+00 1.216014e-06 ; 2.863562e-01 -1.216014e-06 1.461202e-03 2.691215e-04 0.000485 0.000060 True native_MD 7 101 334 OE2_AB42_11 O_AB42_39 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 101 336 OE2_AB42_11 H_AB42_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 101 338 -OE2_AB42_11 CB_AB42_40 1 0.000000e+00 3.360195e-06 ; 3.116679e-01 -3.360195e-06 7.870941e-04 1.878537e-04 0.000485 0.000060 True native_MD 7 101 340 +OE2_AB42_11 CB_AB42_40 1 0.000000e+00 3.360222e-06 ; 3.116681e-01 -3.360222e-06 7.870941e-04 1.878537e-04 0.000485 0.000060 True native_MD 7 101 340 OE2_AB42_11 CG1_AB42_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 101 341 OE2_AB42_11 CG2_AB42_40 1 0.000000e+00 1.216943e-06 ; 2.863744e-01 -1.216943e-06 6.404285e-04 2.114192e-04 0.000485 0.000060 True native_MD 7 101 342 OE2_AB42_11 O_AB42_40 1 8.632688e-04 2.317374e-06 ; 3.727992e-01 8.039627e-02 6.621663e-04 5.772280e-05 0.000485 0.000060 True native_MD 7 101 344 OE2_AB42_11 H_AB42_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 101 346 -OE2_AB42_11 CB_AB42_41 1 0.000000e+00 3.361542e-06 ; 3.116783e-01 -3.361542e-06 6.827747e-04 4.842539e-04 0.000485 0.000060 True native_MD 7 101 348 -OE2_AB42_11 CG1_AB42_41 1 0.000000e+00 1.631028e-06 ; 2.934495e-01 -1.631028e-06 7.028633e-04 3.201023e-04 0.000485 0.000060 True native_MD 7 101 349 -OE2_AB42_11 CG2_AB42_41 1 0.000000e+00 1.217969e-06 ; 2.863945e-01 -1.217969e-06 5.269580e-04 9.410621e-04 0.000485 0.000060 True native_MD 7 101 350 -OE2_AB42_11 CD_AB42_41 1 0.000000e+00 1.217295e-06 ; 2.863813e-01 -1.217295e-06 6.947334e-04 5.552802e-04 0.000485 0.000060 True native_MD 7 101 351 +OE2_AB42_11 CB_AB42_41 1 0.000000e+00 3.361569e-06 ; 3.116785e-01 -3.361569e-06 6.827747e-04 4.842539e-04 0.000485 0.000060 True native_MD 7 101 348 +OE2_AB42_11 CG1_AB42_41 1 0.000000e+00 1.631022e-06 ; 2.934495e-01 -1.631022e-06 7.028633e-04 3.201023e-04 0.000485 0.000060 True native_MD 7 101 349 +OE2_AB42_11 CG2_AB42_41 1 0.000000e+00 1.217970e-06 ; 2.863945e-01 -1.217970e-06 5.269580e-04 9.410621e-04 0.000485 0.000060 True native_MD 7 101 350 +OE2_AB42_11 CD_AB42_41 1 0.000000e+00 1.217296e-06 ; 2.863813e-01 -1.217296e-06 6.947334e-04 5.552802e-04 0.000485 0.000060 True native_MD 7 101 351 OE2_AB42_11 O_AB42_41 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 101 353 OE2_AB42_11 H_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 101 355 -OE2_AB42_11 CB_AB42_42 1 0.000000e+00 1.217262e-06 ; 2.863807e-01 -1.217262e-06 5.526344e-04 3.861148e-04 0.000485 0.000060 True native_MD 7 101 357 +OE2_AB42_11 CB_AB42_42 1 0.000000e+00 1.217263e-06 ; 2.863807e-01 -1.217263e-06 5.526344e-04 3.861148e-04 0.000485 0.000060 True native_MD 7 101 357 OE2_AB42_11 O1_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 101 359 OE2_AB42_11 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 101 360 - C_AB42_11 CB_AB42_12 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 107 - C_AB42_11 CG1_AB42_12 1 0.000000e+00 4.680891e-06 ; 3.203974e-01 -4.680891e-06 9.975601e-01 9.879911e-01 0.000485 0.000060 True native_MD 4 102 108 - C_AB42_11 CG2_AB42_12 1 0.000000e+00 4.720600e-06 ; 3.206231e-01 -4.720600e-06 9.989107e-01 9.977437e-01 0.000485 0.000060 True native_MD 4 102 109 - C_AB42_11 O_AB42_12 1 0.000000e+00 8.106054e-07 ; 2.768402e-01 -8.106054e-07 9.246496e-01 9.048931e-01 0.000485 0.000060 True native_MD 4 102 111 - C_AB42_11 N_AB42_13 1 0.000000e+00 1.470789e-06 ; 2.909316e-01 -1.470789e-06 9.965644e-01 9.717925e-01 0.000485 0.000060 True native_MD 4 102 112 - C_AB42_11 CA_AB42_13 1 0.000000e+00 1.127509e-05 ; 3.447506e-01 -1.127509e-05 9.771058e-01 8.409738e-01 0.000485 0.000060 True native_MD 5 102 114 - C_AB42_11 CB_AB42_13 1 0.000000e+00 4.651980e-06 ; 3.202321e-01 -4.651980e-06 4.746851e-01 2.091355e-01 0.000485 0.000060 True native_MD 6 102 115 + C_AB42_11 CB_AB42_12 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 107 + C_AB42_11 CG1_AB42_12 1 0.000000e+00 4.680830e-06 ; 3.203971e-01 -4.680830e-06 9.975601e-01 9.879911e-01 0.000485 0.000060 True native_MD 4 102 108 + C_AB42_11 CG2_AB42_12 1 0.000000e+00 4.720539e-06 ; 3.206227e-01 -4.720539e-06 9.989107e-01 9.977437e-01 0.000485 0.000060 True native_MD 4 102 109 + C_AB42_11 O_AB42_12 1 0.000000e+00 8.106016e-07 ; 2.768401e-01 -8.106016e-07 9.246496e-01 9.048931e-01 0.000485 0.000060 True native_MD 4 102 111 + C_AB42_11 N_AB42_13 1 0.000000e+00 1.470768e-06 ; 2.909312e-01 -1.470768e-06 9.965644e-01 9.717925e-01 0.000485 0.000060 True native_MD 4 102 112 + C_AB42_11 CA_AB42_13 1 0.000000e+00 1.127503e-05 ; 3.447504e-01 -1.127503e-05 9.771058e-01 8.409738e-01 0.000485 0.000060 True native_MD 5 102 114 + C_AB42_11 CB_AB42_13 1 0.000000e+00 4.651902e-06 ; 3.202316e-01 -4.651902e-06 4.746851e-01 2.091355e-01 0.000485 0.000060 True native_MD 6 102 115 C_AB42_11 CG_AB42_13 1 2.465237e-03 1.014997e-05 ; 4.003449e-01 1.496899e-01 2.671517e-01 1.098659e-01 0.000485 0.002166 True native_MD 7 102 116 C_AB42_11 ND1_AB42_13 1 7.435785e-04 9.000598e-07 ; 3.264556e-01 1.535756e-01 3.618556e-01 1.324793e-01 0.000485 0.002166 True native_MD 7 102 117 C_AB42_11 CD2_AB42_13 1 9.996657e-04 2.004606e-06 ; 3.551096e-01 1.246294e-01 1.030645e-01 1.370883e-01 0.000485 0.003309 True native_MD 7 102 118 C_AB42_11 CE1_AB42_13 1 1.401488e-03 2.944089e-06 ; 3.578713e-01 1.667892e-01 3.188680e-01 1.201063e-01 0.000485 0.003309 True native_MD 7 102 119 C_AB42_11 NE2_AB42_13 1 1.311127e-03 3.481681e-06 ; 3.721266e-01 1.234356e-01 9.728932e-02 8.778049e-02 0.000485 0.002166 True native_MD 7 102 120 - C_AB42_11 C_AB42_13 1 0.000000e+00 1.376211e-06 ; 2.893246e-01 -1.376211e-06 5.723631e-01 1.019664e-01 0.000485 0.000060 True native_MD 6 102 121 + C_AB42_11 C_AB42_13 1 0.000000e+00 1.376187e-06 ; 2.893242e-01 -1.376187e-06 5.723631e-01 1.019664e-01 0.000485 0.000060 True native_MD 6 102 121 C_AB42_11 O_AB42_13 1 9.361182e-04 1.869841e-06 ; 3.548779e-01 1.171647e-01 3.744540e-02 4.076003e-02 0.000485 0.002166 True native_MD 7 102 122 C_AB42_11 N_AB42_14 1 1.050350e-03 1.617590e-06 ; 3.398253e-01 1.705061e-01 6.187607e-01 1.364876e-01 0.000485 0.002166 True native_MD 7 102 123 C_AB42_11 CA_AB42_14 1 3.225915e-03 1.691312e-05 ; 4.168007e-01 1.538233e-01 6.299729e-01 1.415042e-01 0.000485 0.001339 True native_MD 7 102 125 - C_AB42_11 CB_AB42_14 1 0.000000e+00 3.462585e-06 ; 3.124484e-01 -3.462585e-06 5.551103e-01 1.017800e-01 0.000485 0.000060 True native_MD 7 102 126 + C_AB42_11 CB_AB42_14 1 0.000000e+00 3.462526e-06 ; 3.124480e-01 -3.462526e-06 5.551103e-01 1.017800e-01 0.000485 0.000060 True native_MD 7 102 126 C_AB42_11 CG_AB42_14 1 2.351137e-03 7.703831e-06 ; 3.853939e-01 1.793862e-01 2.061662e-01 3.486341e-02 0.000485 0.002166 True native_MD 7 102 127 C_AB42_11 ND1_AB42_14 1 1.441071e-03 3.323561e-06 ; 3.634849e-01 1.562094e-01 1.128595e-01 3.818737e-02 0.000485 0.002166 True native_MD 7 102 128 C_AB42_11 CD2_AB42_14 1 1.818855e-03 4.278444e-06 ; 3.646823e-01 1.933082e-01 2.358230e-01 4.016825e-02 0.000485 0.003309 True native_MD 7 102 129 @@ -25318,8 +25318,8 @@ OE2_AB42_11 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 C_AB42_11 O_AB42_14 1 7.373760e-04 8.008696e-07 ; 3.206113e-01 1.697290e-01 6.095688e-02 1.376251e-02 0.000485 0.002166 True native_MD 7 102 133 C_AB42_11 N_AB42_15 1 1.872544e-03 4.476234e-06 ; 3.656623e-01 1.958354e-01 2.397101e-01 2.477765e-02 0.000485 0.002166 True native_MD 7 102 134 C_AB42_11 CA_AB42_15 1 4.666979e-03 3.163741e-05 ; 4.350383e-01 1.721119e-01 2.665806e-01 3.464062e-02 0.000485 0.001339 True native_MD 7 102 136 - C_AB42_11 CB_AB42_15 1 0.000000e+00 4.977209e-06 ; 3.220405e-01 -4.977209e-06 2.513299e-01 3.712714e-02 0.000485 0.000060 True native_MD 7 102 137 - C_AB42_11 CG_AB42_15 1 0.000000e+00 4.814706e-06 ; 3.211509e-01 -4.814706e-06 2.819371e-01 4.207857e-02 0.000485 0.000060 True native_MD 7 102 138 + C_AB42_11 CB_AB42_15 1 0.000000e+00 4.977126e-06 ; 3.220400e-01 -4.977126e-06 2.513299e-01 3.712714e-02 0.000485 0.000060 True native_MD 7 102 137 + C_AB42_11 CG_AB42_15 1 0.000000e+00 4.814626e-06 ; 3.211505e-01 -4.814626e-06 2.819371e-01 4.207857e-02 0.000485 0.000060 True native_MD 7 102 138 C_AB42_11 CD_AB42_15 1 2.426820e-03 7.710090e-06 ; 3.834161e-01 1.909658e-01 1.562080e-01 1.867927e-02 0.000485 0.002166 True native_MD 7 102 139 C_AB42_11 OE1_AB42_15 1 8.985676e-04 1.038108e-06 ; 3.239281e-01 1.944460e-01 9.133348e-02 9.841627e-03 0.000485 0.002166 True native_MD 7 102 140 C_AB42_11 NE2_AB42_15 1 8.065500e-04 9.937080e-07 ; 3.274195e-01 1.636605e-01 8.626296e-02 2.335459e-02 0.000485 0.002166 True native_MD 7 102 141 @@ -25327,24 +25327,24 @@ OE2_AB42_11 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 C_AB42_11 O_AB42_15 1 1.044207e-03 1.440949e-06 ; 3.336647e-01 1.891755e-01 1.716858e-02 1.483099e-03 0.000485 0.002166 True native_MD 7 102 143 C_AB42_11 N_AB42_16 1 1.519152e-03 3.533216e-06 ; 3.639945e-01 1.632949e-01 7.913567e-03 1.058236e-03 0.000485 0.002166 True native_MD 7 102 144 C_AB42_11 CA_AB42_16 1 4.319496e-03 2.707420e-05 ; 4.293918e-01 1.722863e-01 1.312604e-02 1.696775e-03 0.000485 0.001339 True native_MD 7 102 146 - C_AB42_11 CB_AB42_16 1 0.000000e+00 6.269179e-06 ; 3.282937e-01 -6.269179e-06 1.206957e-02 1.841824e-03 0.000485 0.000060 True native_MD 7 102 147 - C_AB42_11 CG_AB42_16 1 0.000000e+00 6.265978e-06 ; 3.282797e-01 -6.265978e-06 1.306604e-02 2.332891e-03 0.000485 0.000060 True native_MD 7 102 148 - C_AB42_11 CD_AB42_16 1 0.000000e+00 6.260277e-06 ; 3.282548e-01 -6.260277e-06 1.568231e-02 4.049207e-03 0.000485 0.000060 True native_MD 7 102 149 - C_AB42_11 CE_AB42_16 1 0.000000e+00 6.254768e-06 ; 3.282308e-01 -6.254768e-06 1.769474e-02 5.191762e-03 0.000485 0.000060 True native_MD 7 102 150 + C_AB42_11 CB_AB42_16 1 0.000000e+00 6.269074e-06 ; 3.282932e-01 -6.269074e-06 1.206957e-02 1.841824e-03 0.000485 0.000060 True native_MD 7 102 147 + C_AB42_11 CG_AB42_16 1 0.000000e+00 6.265873e-06 ; 3.282793e-01 -6.265873e-06 1.306604e-02 2.332891e-03 0.000485 0.000060 True native_MD 7 102 148 + C_AB42_11 CD_AB42_16 1 0.000000e+00 6.260172e-06 ; 3.282544e-01 -6.260172e-06 1.568231e-02 4.049207e-03 0.000485 0.000060 True native_MD 7 102 149 + C_AB42_11 CE_AB42_16 1 0.000000e+00 6.254663e-06 ; 3.282303e-01 -6.254663e-06 1.769474e-02 5.191762e-03 0.000485 0.000060 True native_MD 7 102 150 C_AB42_11 NZ_AB42_16 1 1.005341e-03 1.540133e-06 ; 3.395268e-01 1.640623e-01 1.007006e-02 2.693706e-03 0.000485 0.002166 True native_MD 7 102 151 C_AB42_11 C_AB42_16 1 1.637713e-03 5.377075e-06 ; 3.855239e-01 1.247009e-01 2.493332e-03 4.514728e-07 0.000485 0.002166 True native_MD 7 102 152 C_AB42_11 O_AB42_16 1 3.371760e-04 2.279929e-07 ; 2.962630e-01 1.246614e-01 2.490383e-03 3.214286e-05 0.000485 0.002166 True native_MD 7 102 153 C_AB42_11 N_AB42_17 1 8.058230e-04 2.196535e-06 ; 3.737516e-01 7.390625e-02 5.452786e-04 4.935175e-05 0.000485 0.002166 True native_MD 7 102 154 C_AB42_11 CA_AB42_17 1 4.735093e-03 4.563584e-05 ; 4.613136e-01 1.228262e-01 2.357299e-03 2.568301e-04 0.000485 0.001339 True native_MD 7 102 156 - C_AB42_11 CB_AB42_17 1 0.000000e+00 6.319208e-06 ; 3.285112e-01 -6.319208e-06 3.421860e-03 1.092599e-03 0.000485 0.000060 True native_MD 7 102 157 - C_AB42_11 CG_AB42_17 1 0.000000e+00 1.296497e-05 ; 3.487862e-01 -1.296497e-05 1.058447e-02 3.926789e-03 0.000485 0.000060 True native_MD 7 102 158 - C_AB42_11 CD1_AB42_17 1 0.000000e+00 4.708882e-06 ; 3.205567e-01 -4.708882e-06 8.777009e-03 5.130624e-03 0.000485 0.000060 True native_MD 7 102 159 - C_AB42_11 CD2_AB42_17 1 0.000000e+00 4.704076e-06 ; 3.205294e-01 -4.704076e-06 7.782810e-03 3.119332e-03 0.000485 0.000060 True native_MD 7 102 160 + C_AB42_11 CB_AB42_17 1 0.000000e+00 6.319102e-06 ; 3.285108e-01 -6.319102e-06 3.421860e-03 1.092599e-03 0.000485 0.000060 True native_MD 7 102 157 + C_AB42_11 CG_AB42_17 1 0.000000e+00 1.296490e-05 ; 3.487860e-01 -1.296490e-05 1.058447e-02 3.926789e-03 0.000485 0.000060 True native_MD 7 102 158 + C_AB42_11 CD1_AB42_17 1 0.000000e+00 4.708821e-06 ; 3.205563e-01 -4.708821e-06 8.777009e-03 5.130624e-03 0.000485 0.000060 True native_MD 7 102 159 + C_AB42_11 CD2_AB42_17 1 0.000000e+00 4.704014e-06 ; 3.205290e-01 -4.704014e-06 7.782810e-03 3.119332e-03 0.000485 0.000060 True native_MD 7 102 160 C_AB42_11 CA_AB42_18 1 4.958350e-03 5.910755e-05 ; 4.779520e-01 1.039852e-01 1.341356e-03 6.082073e-04 0.000485 0.001339 True native_MD 7 102 165 - C_AB42_11 CB_AB42_18 1 0.000000e+00 1.300863e-05 ; 3.488839e-01 -1.300863e-05 5.212485e-03 1.899990e-03 0.000485 0.000060 True native_MD 7 102 166 - C_AB42_11 CG1_AB42_18 1 0.000000e+00 4.715506e-06 ; 3.205942e-01 -4.715506e-06 4.468757e-03 2.223762e-03 0.000485 0.000060 True native_MD 7 102 167 - C_AB42_11 CG2_AB42_18 1 0.000000e+00 4.712978e-06 ; 3.205799e-01 -4.712978e-06 4.882763e-03 2.102899e-03 0.000485 0.000060 True native_MD 7 102 168 - C_AB42_11 CB_AB42_19 1 0.000000e+00 6.333182e-06 ; 3.285717e-01 -6.333182e-06 1.350837e-03 1.227856e-03 0.000485 0.000060 True native_MD 7 102 174 + C_AB42_11 CB_AB42_18 1 0.000000e+00 1.300856e-05 ; 3.488838e-01 -1.300856e-05 5.212485e-03 1.899990e-03 0.000485 0.000060 True native_MD 7 102 166 + C_AB42_11 CG1_AB42_18 1 0.000000e+00 4.715444e-06 ; 3.205939e-01 -4.715444e-06 4.468757e-03 2.223762e-03 0.000485 0.000060 True native_MD 7 102 167 + C_AB42_11 CG2_AB42_18 1 0.000000e+00 4.712916e-06 ; 3.205795e-01 -4.712916e-06 4.882763e-03 2.102899e-03 0.000485 0.000060 True native_MD 7 102 168 + C_AB42_11 CB_AB42_19 1 0.000000e+00 6.333076e-06 ; 3.285712e-01 -6.333076e-06 1.350837e-03 1.227856e-03 0.000485 0.000060 True native_MD 7 102 174 C_AB42_11 CG_AB42_19 1 9.650388e-04 2.937921e-06 ; 3.806997e-01 7.924819e-02 6.398023e-04 5.365490e-04 0.000485 0.003309 True native_MD 7 102 175 C_AB42_11 CD1_AB42_19 1 1.553686e-03 5.709895e-06 ; 3.928356e-01 1.056912e-01 1.411615e-03 1.097181e-03 0.000485 0.003309 True native_MD 7 102 176 C_AB42_11 CD2_AB42_19 1 1.553686e-03 5.709895e-06 ; 3.928356e-01 1.056912e-01 1.411615e-03 1.097181e-03 0.000485 0.003309 True native_MD 7 102 177 @@ -25353,7 +25353,7 @@ OE2_AB42_11 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 C_AB42_11 CZ_AB42_19 1 1.161472e-03 2.660529e-06 ; 3.630724e-01 1.267620e-01 3.309033e-03 4.129297e-03 0.000485 0.003309 True native_MD 7 102 180 C_AB42_11 O_AB42_19 1 4.643270e-04 6.598036e-07 ; 3.352986e-01 8.169080e-02 6.883220e-04 2.040988e-04 0.000485 0.002166 True native_MD 7 102 182 C_AB42_11 CA_AB42_20 1 1.681170e-03 8.647988e-06 ; 4.154804e-01 8.170495e-02 6.886135e-04 4.248391e-04 0.000485 0.001339 True native_MD 7 102 185 - C_AB42_11 CB_AB42_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 186 + C_AB42_11 CB_AB42_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 186 C_AB42_11 CG_AB42_20 1 1.699953e-03 7.987919e-06 ; 4.092602e-01 9.044405e-02 8.944471e-04 5.139075e-04 0.000485 0.003309 True native_MD 7 102 187 C_AB42_11 CD1_AB42_20 1 1.635035e-03 5.895532e-06 ; 3.915910e-01 1.133629e-01 1.775921e-03 7.267180e-04 0.000485 0.003309 True native_MD 7 102 188 C_AB42_11 CD2_AB42_20 1 1.635035e-03 5.895532e-06 ; 3.915910e-01 1.133629e-01 1.775921e-03 7.267180e-04 0.000485 0.003309 True native_MD 7 102 189 @@ -25361,32 +25361,32 @@ OE2_AB42_11 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 C_AB42_11 C_AB42_20 1 1.462540e-03 7.045024e-06 ; 4.109564e-01 7.590548e-02 5.788975e-04 4.258268e-05 0.000485 0.002166 True native_MD 7 102 193 C_AB42_11 N_AB42_21 1 3.618108e-04 4.407774e-07 ; 3.268057e-01 7.424783e-02 5.508810e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 102 195 C_AB42_11 CA_AB42_21 1 1.593391e-03 6.828757e-06 ; 4.030292e-01 9.294869e-02 9.640658e-04 6.060182e-04 0.000485 0.001339 True native_MD 7 102 197 - C_AB42_11 CB_AB42_21 1 0.000000e+00 4.724746e-06 ; 3.206465e-01 -4.724746e-06 1.031801e-03 7.420181e-04 0.000485 0.000060 True native_MD 7 102 198 - C_AB42_11 CB_AB42_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 204 - C_AB42_11 CG_AB42_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 205 - C_AB42_11 CB_AB42_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 214 + C_AB42_11 CB_AB42_21 1 0.000000e+00 4.724684e-06 ; 3.206462e-01 -4.724684e-06 1.031801e-03 7.420181e-04 0.000485 0.000060 True native_MD 7 102 198 + C_AB42_11 CB_AB42_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 204 + C_AB42_11 CG_AB42_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 205 + C_AB42_11 CB_AB42_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 214 C_AB42_11 CA_AB42_24 1 2.797478e-03 2.580134e-05 ; 4.579442e-01 7.582830e-02 5.775620e-04 9.780578e-05 0.000485 0.001339 True native_MD 7 102 222 - C_AB42_11 CB_AB42_24 1 0.000000e+00 1.303812e-05 ; 3.489498e-01 -1.303812e-05 1.473198e-03 4.197915e-04 0.000485 0.000060 True native_MD 7 102 223 - C_AB42_11 CG1_AB42_24 1 0.000000e+00 4.719625e-06 ; 3.206176e-01 -4.719625e-06 1.854627e-03 4.812514e-04 0.000485 0.000060 True native_MD 7 102 224 - C_AB42_11 CG2_AB42_24 1 0.000000e+00 4.722577e-06 ; 3.206343e-01 -4.722577e-06 9.997645e-04 2.511076e-04 0.000485 0.000060 True native_MD 7 102 225 + C_AB42_11 CB_AB42_24 1 0.000000e+00 1.303805e-05 ; 3.489496e-01 -1.303805e-05 1.473198e-03 4.197915e-04 0.000485 0.000060 True native_MD 7 102 223 + C_AB42_11 CG1_AB42_24 1 0.000000e+00 4.719563e-06 ; 3.206172e-01 -4.719563e-06 1.854627e-03 4.812514e-04 0.000485 0.000060 True native_MD 7 102 224 + C_AB42_11 CG2_AB42_24 1 0.000000e+00 4.722516e-06 ; 3.206339e-01 -4.722516e-06 9.997645e-04 2.511076e-04 0.000485 0.000060 True native_MD 7 102 225 C_AB42_11 CA_AB42_25 1 1.646809e-03 6.153710e-06 ; 3.939269e-01 1.101766e-01 1.614403e-03 3.542309e-04 0.000485 0.001584 True native_MD 7 102 230 C_AB42_11 C_AB42_25 1 1.519179e-03 7.865206e-06 ; 4.159268e-01 7.335805e-02 5.364060e-04 5.693822e-05 0.000485 0.002166 True native_MD 7 102 231 C_AB42_11 O_AB42_25 1 4.853144e-04 6.535745e-07 ; 3.323115e-01 9.009306e-02 8.851012e-04 7.452127e-05 0.000485 0.002166 True native_MD 7 102 232 C_AB42_11 CA_AB42_26 1 1.410266e-03 6.801621e-06 ; 4.110411e-01 7.310210e-02 5.323131e-04 1.242563e-04 0.000485 0.001339 True native_MD 7 102 235 - C_AB42_11 CB_AB42_26 1 0.000000e+00 6.331325e-06 ; 3.285637e-01 -6.331325e-06 8.033940e-04 3.871625e-04 0.000485 0.000060 True native_MD 7 102 236 + C_AB42_11 CB_AB42_26 1 0.000000e+00 6.331218e-06 ; 3.285632e-01 -6.331218e-06 8.033940e-04 3.871625e-04 0.000485 0.000060 True native_MD 7 102 236 C_AB42_11 OG_AB42_26 1 4.669295e-04 6.925128e-07 ; 3.376987e-01 7.870726e-02 6.295286e-04 3.319397e-04 0.000485 0.002166 True native_MD 7 102 237 C_AB42_11 CA_AB42_27 1 1.717841e-03 7.993644e-06 ; 4.085956e-01 9.229140e-02 9.452877e-04 9.602014e-05 0.000485 0.001339 True native_MD 7 102 242 C_AB42_11 CB_AB42_27 1 9.444981e-04 2.844521e-06 ; 3.800155e-01 7.840308e-02 1.433999e-03 1.372683e-04 0.000485 0.000060 True native_MD 7 102 243 C_AB42_11 CG_AB42_27 1 1.292747e-03 4.327634e-06 ; 3.867730e-01 9.654213e-02 1.073518e-03 2.423753e-06 0.000485 0.002166 True native_MD 7 102 244 C_AB42_11 ND2_AB42_27 1 6.913029e-04 1.107423e-06 ; 3.420641e-01 1.078855e-01 1.507425e-03 3.450724e-04 0.000485 0.002166 True native_MD 7 102 246 C_AB42_11 CA_AB42_28 1 3.149004e-03 2.661579e-05 ; 4.513302e-01 9.314229e-02 9.696674e-04 0.000000e+00 0.000485 0.001339 True native_MD 7 102 251 - C_AB42_11 CB_AB42_28 1 0.000000e+00 6.328788e-06 ; 3.285527e-01 -6.328788e-06 9.465081e-04 1.297338e-04 0.000485 0.000060 True native_MD 7 102 252 - C_AB42_11 CG_AB42_28 1 0.000000e+00 6.326419e-06 ; 3.285425e-01 -6.326419e-06 1.465436e-03 2.747247e-04 0.000485 0.000060 True native_MD 7 102 253 - C_AB42_11 CD_AB42_28 1 0.000000e+00 6.326913e-06 ; 3.285446e-01 -6.326913e-06 1.360590e-03 2.478435e-04 0.000485 0.000060 True native_MD 7 102 254 + C_AB42_11 CB_AB42_28 1 0.000000e+00 6.328681e-06 ; 3.285522e-01 -6.328681e-06 9.465081e-04 1.297338e-04 0.000485 0.000060 True native_MD 7 102 252 + C_AB42_11 CG_AB42_28 1 0.000000e+00 6.326313e-06 ; 3.285420e-01 -6.326313e-06 1.465436e-03 2.747247e-04 0.000485 0.000060 True native_MD 7 102 253 + C_AB42_11 CD_AB42_28 1 0.000000e+00 6.326807e-06 ; 3.285441e-01 -6.326807e-06 1.360590e-03 2.478435e-04 0.000485 0.000060 True native_MD 7 102 254 C_AB42_11 CE_AB42_28 1 1.198984e-03 5.048612e-06 ; 4.018461e-01 7.118604e-02 2.230728e-03 2.650119e-04 0.000485 0.000060 True native_MD 7 102 255 C_AB42_11 NZ_AB42_28 1 5.286215e-04 7.236567e-07 ; 3.332202e-01 9.653774e-02 1.073377e-03 1.379557e-04 0.000485 0.002166 True native_MD 7 102 256 C_AB42_11 N_AB42_29 1 6.821054e-04 1.529227e-06 ; 3.617735e-01 7.606259e-02 5.816258e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 102 259 - C_AB42_11 CA_AB42_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 261 + C_AB42_11 CA_AB42_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 261 C_AB42_11 C_AB42_29 1 1.059277e-03 3.610650e-06 ; 3.879383e-01 7.769154e-02 6.106812e-04 5.013544e-05 0.000485 0.002166 True native_MD 7 102 262 C_AB42_11 N_AB42_30 1 7.661316e-04 2.015068e-06 ; 3.715333e-01 7.282107e-02 5.278551e-04 1.576812e-06 0.000485 0.002166 True native_MD 7 102 264 C_AB42_11 CA_AB42_30 1 3.817331e-03 2.366369e-05 ; 4.286016e-01 1.539491e-01 5.982864e-03 1.750439e-04 0.000485 0.001339 True native_MD 7 102 266 @@ -25451,17 +25451,17 @@ OE2_AB42_11 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 C_AB42_11 CG1_AB42_41 1 2.129036e-03 9.474358e-06 ; 4.055656e-01 1.196069e-01 2.140795e-03 4.992713e-05 0.000485 0.000060 True native_MD 7 102 349 C_AB42_11 CG2_AB42_41 1 5.989886e-04 1.101475e-06 ; 3.500199e-01 8.143339e-02 2.171092e-03 1.898085e-04 0.000485 0.000060 True native_MD 7 102 350 C_AB42_11 CD_AB42_41 1 7.723293e-04 1.371111e-06 ; 3.479726e-01 1.087608e-01 2.744470e-03 1.059084e-04 0.000485 0.000060 True native_MD 7 102 351 - C_AB42_11 CB_AB42_42 1 0.000000e+00 4.724852e-06 ; 3.206471e-01 -4.724852e-06 4.884073e-04 2.209875e-04 0.000485 0.000060 True native_MD 7 102 357 + C_AB42_11 CB_AB42_42 1 0.000000e+00 4.724790e-06 ; 3.206468e-01 -4.724790e-06 4.884073e-04 2.209875e-04 0.000485 0.000060 True native_MD 7 102 357 O_AB42_11 O_AB42_11 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 103 O_AB42_11 H_AB42_12 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 105 - O_AB42_11 CB_AB42_12 1 0.000000e+00 4.153473e-06 ; 3.172215e-01 -4.153473e-06 1.000000e+00 9.999949e-01 0.000485 0.000060 True native_MD 4 103 107 + O_AB42_11 CB_AB42_12 1 0.000000e+00 4.153506e-06 ; 3.172217e-01 -4.153506e-06 1.000000e+00 9.999949e-01 0.000485 0.000060 True native_MD 4 103 107 O_AB42_11 CG1_AB42_12 1 0.000000e+00 1.593383e-06 ; 2.928791e-01 -1.593383e-06 3.522889e-01 4.117248e-01 0.000485 0.000060 True native_MD 5 103 108 O_AB42_11 CG2_AB42_12 1 0.000000e+00 1.715413e-06 ; 2.946857e-01 -1.715413e-06 2.655537e-01 4.061271e-01 0.000485 0.000060 True native_MD 5 103 109 - O_AB42_11 C_AB42_12 1 0.000000e+00 8.248461e-07 ; 2.772422e-01 -8.248461e-07 9.999318e-01 9.973963e-01 0.000485 0.000060 True native_MD 4 103 110 + O_AB42_11 C_AB42_12 1 0.000000e+00 8.248423e-07 ; 2.772421e-01 -8.248423e-07 9.999318e-01 9.973963e-01 0.000485 0.000060 True native_MD 4 103 110 O_AB42_11 O_AB42_12 1 0.000000e+00 1.336144e-06 ; 2.886131e-01 -1.336144e-06 9.403751e-01 8.311377e-01 0.000485 0.000060 True native_MD 5 103 111 O_AB42_11 N_AB42_13 1 0.000000e+00 1.395892e-06 ; 2.896672e-01 -1.395892e-06 9.780233e-01 9.086180e-01 0.000485 0.000060 True native_MD 5 103 112 - O_AB42_11 H_AB42_13 1 0.000000e+00 1.144906e-08 ; 1.941150e-01 -1.144906e-08 4.194762e-01 1.573542e-01 0.000485 0.000060 True native_MD 6 103 113 - O_AB42_11 CA_AB42_13 1 0.000000e+00 3.035192e-06 ; 3.090370e-01 -3.035192e-06 8.149604e-01 5.457167e-01 0.000485 0.000060 True native_MD 6 103 114 + O_AB42_11 H_AB42_13 1 0.000000e+00 1.144924e-08 ; 1.941153e-01 -1.144924e-08 4.194762e-01 1.573542e-01 0.000485 0.000060 True native_MD 6 103 113 + O_AB42_11 CA_AB42_13 1 0.000000e+00 3.035216e-06 ; 3.090372e-01 -3.035216e-06 8.149604e-01 5.457167e-01 0.000485 0.000060 True native_MD 6 103 114 O_AB42_11 CB_AB42_13 1 1.325525e-03 4.754907e-06 ; 3.912542e-01 9.237911e-02 1.188122e-01 1.492475e-01 0.000485 0.001191 True native_MD 7 103 115 O_AB42_11 CG_AB42_13 1 8.346922e-04 1.593773e-06 ; 3.522222e-01 1.092865e-01 1.105153e-01 1.522823e-01 0.000485 0.002166 True native_MD 7 103 116 O_AB42_11 ND1_AB42_13 1 5.104043e-04 5.186673e-07 ; 3.170753e-01 1.255682e-01 1.785019e-01 1.511017e-01 0.000485 0.002166 True native_MD 7 103 117 @@ -25671,21 +25671,21 @@ OE2_AB42_11 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 O_AB42_11 CB_AB42_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 357 O_AB42_11 O1_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 359 O_AB42_11 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 360 - N_AB42_12 CB_AB42_12 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 107 - N_AB42_12 CG1_AB42_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 108 - N_AB42_12 CG2_AB42_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 109 - N_AB42_12 CA_AB42_13 1 0.000000e+00 7.574607e-06 ; 3.335096e-01 -7.574607e-06 1.000000e+00 9.999488e-01 0.000485 0.000060 True native_MD 4 104 114 - N_AB42_12 CB_AB42_13 1 0.000000e+00 2.407606e-06 ; 3.031287e-01 -2.407606e-06 6.145355e-01 2.694736e-01 0.000485 0.000060 True native_MD 5 104 115 - N_AB42_12 CG_AB42_13 1 0.000000e+00 1.339567e-06 ; 2.886747e-01 -1.339567e-06 1.489955e-01 3.721500e-02 0.000485 0.000060 True native_MD 6 104 116 + N_AB42_12 CB_AB42_12 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 107 + N_AB42_12 CG1_AB42_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 108 + N_AB42_12 CG2_AB42_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 109 + N_AB42_12 CA_AB42_13 1 0.000000e+00 7.574595e-06 ; 3.335096e-01 -7.574595e-06 1.000000e+00 9.999488e-01 0.000485 0.000060 True native_MD 4 104 114 + N_AB42_12 CB_AB42_13 1 0.000000e+00 2.407574e-06 ; 3.031284e-01 -2.407574e-06 6.145355e-01 2.694736e-01 0.000485 0.000060 True native_MD 5 104 115 + N_AB42_12 CG_AB42_13 1 0.000000e+00 1.339548e-06 ; 2.886744e-01 -1.339548e-06 1.489955e-01 3.721500e-02 0.000485 0.000060 True native_MD 6 104 116 N_AB42_12 ND1_AB42_13 1 1.012052e-03 1.453452e-06 ; 3.358920e-01 1.761754e-01 3.595153e-01 6.692906e-02 0.000485 0.002166 True native_MD 7 104 117 N_AB42_12 CD2_AB42_13 1 1.479030e-03 4.107356e-06 ; 3.749133e-01 1.331471e-01 6.944075e-02 7.158333e-02 0.000485 0.003309 True native_MD 7 104 118 N_AB42_12 CE1_AB42_13 1 2.591916e-03 8.094971e-06 ; 3.823247e-01 2.074754e-01 1.658381e-01 1.848678e-02 0.000485 0.003309 True native_MD 7 104 119 N_AB42_12 NE2_AB42_13 1 1.216920e-03 3.103748e-06 ; 3.696330e-01 1.192828e-01 9.599632e-03 9.807674e-03 0.000485 0.002166 True native_MD 7 104 120 - N_AB42_12 C_AB42_13 1 0.000000e+00 1.272163e-06 ; 2.874354e-01 -1.272163e-06 2.062780e-01 4.980414e-02 0.000485 0.000060 True native_MD 5 104 121 + N_AB42_12 C_AB42_13 1 0.000000e+00 1.272145e-06 ; 2.874350e-01 -1.272145e-06 2.062780e-01 4.980414e-02 0.000485 0.000060 True native_MD 5 104 121 N_AB42_12 O_AB42_13 1 0.000000e+00 1.490528e-06 ; 2.912550e-01 -1.490528e-06 6.627044e-02 5.995548e-02 0.000485 0.000060 True native_MD 6 104 122 - N_AB42_12 N_AB42_14 1 0.000000e+00 5.455153e-07 ; 2.678524e-01 -5.455153e-07 4.475333e-01 7.076990e-02 0.000485 0.000060 True native_MD 6 104 123 + N_AB42_12 N_AB42_14 1 0.000000e+00 5.455095e-07 ; 2.678522e-01 -5.455095e-07 4.475333e-01 7.076990e-02 0.000485 0.000060 True native_MD 6 104 123 N_AB42_12 CA_AB42_14 1 7.109240e-03 7.461836e-05 ; 4.679187e-01 1.693326e-01 2.403027e-01 3.393452e-02 0.000485 0.001339 True native_MD 7 104 125 - N_AB42_12 CB_AB42_14 1 0.000000e+00 3.619361e-06 ; 3.136036e-01 -3.619361e-06 2.700449e-02 1.157489e-02 0.000485 0.000060 True native_MD 7 104 126 + N_AB42_12 CB_AB42_14 1 0.000000e+00 3.619314e-06 ; 3.136032e-01 -3.619314e-06 2.700449e-02 1.157489e-02 0.000485 0.000060 True native_MD 7 104 126 N_AB42_12 CG_AB42_14 1 1.668806e-03 7.103437e-06 ; 4.025722e-01 9.801292e-02 1.121824e-03 1.357939e-03 0.000485 0.002166 True native_MD 7 104 127 N_AB42_12 ND1_AB42_14 1 9.199274e-04 1.416532e-06 ; 3.398173e-01 1.493554e-01 1.891127e-02 7.855770e-03 0.000485 0.002166 True native_MD 7 104 128 N_AB42_12 CD2_AB42_14 1 1.781387e-03 5.028619e-06 ; 3.759370e-01 1.577640e-01 1.397664e-02 6.897023e-03 0.000485 0.003309 True native_MD 7 104 129 @@ -25704,23 +25704,23 @@ OE2_AB42_11 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 N_AB42_12 O_AB42_15 1 1.969006e-03 4.780229e-06 ; 3.666066e-01 2.027614e-01 2.578135e-02 1.589728e-03 0.000485 0.002166 True native_MD 7 104 143 N_AB42_12 N_AB42_16 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 4.677594e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 104 144 N_AB42_12 CA_AB42_16 1 4.084787e-03 3.216367e-05 ; 4.460320e-01 1.296920e-01 2.894994e-03 2.508531e-04 0.000485 0.001339 True native_MD 7 104 146 - N_AB42_12 CB_AB42_16 1 0.000000e+00 3.664808e-06 ; 3.139298e-01 -3.664808e-06 3.571198e-03 5.043281e-04 0.000485 0.000060 True native_MD 7 104 147 - N_AB42_12 CG_AB42_16 1 0.000000e+00 3.669980e-06 ; 3.139667e-01 -3.669980e-06 2.438527e-03 7.785888e-04 0.000485 0.000060 True native_MD 7 104 148 - N_AB42_12 CD_AB42_16 1 0.000000e+00 3.672739e-06 ; 3.139864e-01 -3.672739e-06 2.682016e-03 1.772825e-03 0.000485 0.000060 True native_MD 7 104 149 - N_AB42_12 CE_AB42_16 1 0.000000e+00 3.665250e-06 ; 3.139330e-01 -3.665250e-06 5.001278e-03 2.054666e-03 0.000485 0.000060 True native_MD 7 104 150 - N_AB42_12 NZ_AB42_16 1 0.000000e+00 8.748628e-07 ; 2.786057e-01 -8.748628e-07 1.643748e-03 1.151069e-03 0.000485 0.000060 True native_MD 7 104 151 + N_AB42_12 CB_AB42_16 1 0.000000e+00 3.664759e-06 ; 3.139295e-01 -3.664759e-06 3.571198e-03 5.043281e-04 0.000485 0.000060 True native_MD 7 104 147 + N_AB42_12 CG_AB42_16 1 0.000000e+00 3.669931e-06 ; 3.139664e-01 -3.669931e-06 2.438527e-03 7.785888e-04 0.000485 0.000060 True native_MD 7 104 148 + N_AB42_12 CD_AB42_16 1 0.000000e+00 3.672691e-06 ; 3.139861e-01 -3.672691e-06 2.682016e-03 1.772825e-03 0.000485 0.000060 True native_MD 7 104 149 + N_AB42_12 CE_AB42_16 1 0.000000e+00 3.665201e-06 ; 3.139327e-01 -3.665201e-06 5.001278e-03 2.054666e-03 0.000485 0.000060 True native_MD 7 104 150 + N_AB42_12 NZ_AB42_16 1 0.000000e+00 8.748536e-07 ; 2.786055e-01 -8.748536e-07 1.643748e-03 1.151069e-03 0.000485 0.000060 True native_MD 7 104 151 N_AB42_12 O_AB42_16 1 7.741437e-04 1.268969e-06 ; 3.433773e-01 1.180680e-01 2.044435e-03 8.093060e-06 0.000485 0.002166 True native_MD 7 104 153 N_AB42_12 N_AB42_17 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 104 154 N_AB42_12 CB_AB42_17 1 2.002352e-03 1.405539e-05 ; 4.375729e-01 7.131448e-02 6.940855e-04 8.214148e-05 0.000485 0.000060 True native_MD 7 104 157 - N_AB42_12 CG_AB42_17 1 0.000000e+00 7.545609e-06 ; 3.334030e-01 -7.545609e-06 4.558759e-03 6.794115e-04 0.000485 0.000060 True native_MD 7 104 158 - N_AB42_12 CD1_AB42_17 1 0.000000e+00 2.729011e-06 ; 3.063107e-01 -2.729011e-06 6.557029e-03 1.483784e-03 0.000485 0.000060 True native_MD 7 104 159 - N_AB42_12 CD2_AB42_17 1 0.000000e+00 2.735475e-06 ; 3.063711e-01 -2.735475e-06 3.983960e-03 1.267343e-03 0.000485 0.000060 True native_MD 7 104 160 + N_AB42_12 CG_AB42_17 1 0.000000e+00 7.545597e-06 ; 3.334030e-01 -7.545597e-06 4.558759e-03 6.794115e-04 0.000485 0.000060 True native_MD 7 104 158 + N_AB42_12 CD1_AB42_17 1 0.000000e+00 2.728985e-06 ; 3.063104e-01 -2.728985e-06 6.557029e-03 1.483784e-03 0.000485 0.000060 True native_MD 7 104 159 + N_AB42_12 CD2_AB42_17 1 0.000000e+00 2.735449e-06 ; 3.063708e-01 -2.735449e-06 3.983960e-03 1.267343e-03 0.000485 0.000060 True native_MD 7 104 160 N_AB42_12 N_AB42_18 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 104 163 - N_AB42_12 CB_AB42_18 1 0.000000e+00 7.558094e-06 ; 3.334490e-01 -7.558094e-06 2.774176e-03 5.431025e-04 0.000485 0.000060 True native_MD 7 104 166 - N_AB42_12 CG1_AB42_18 1 0.000000e+00 2.738284e-06 ; 3.063973e-01 -2.738284e-06 2.825899e-03 1.133480e-03 0.000485 0.000060 True native_MD 7 104 167 - N_AB42_12 CG2_AB42_18 1 0.000000e+00 2.737205e-06 ; 3.063872e-01 -2.737205e-06 3.187064e-03 1.101440e-03 0.000485 0.000060 True native_MD 7 104 168 + N_AB42_12 CB_AB42_18 1 0.000000e+00 7.558083e-06 ; 3.334489e-01 -7.558083e-06 2.774176e-03 5.431025e-04 0.000485 0.000060 True native_MD 7 104 166 + N_AB42_12 CG1_AB42_18 1 0.000000e+00 2.738258e-06 ; 3.063970e-01 -2.738258e-06 2.825899e-03 1.133480e-03 0.000485 0.000060 True native_MD 7 104 167 + N_AB42_12 CG2_AB42_18 1 0.000000e+00 2.737180e-06 ; 3.063870e-01 -2.737180e-06 3.187064e-03 1.101440e-03 0.000485 0.000060 True native_MD 7 104 168 N_AB42_12 N_AB42_19 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.849071e-05 0.000000e+00 0.000485 0.000060 True native_MD 7 104 171 - N_AB42_12 CB_AB42_19 1 0.000000e+00 3.674741e-06 ; 3.140007e-01 -3.674741e-06 8.289195e-04 4.641678e-04 0.000485 0.000060 True native_MD 7 104 174 + N_AB42_12 CB_AB42_19 1 0.000000e+00 3.674692e-06 ; 3.140003e-01 -3.674692e-06 8.289195e-04 4.641678e-04 0.000485 0.000060 True native_MD 7 104 174 N_AB42_12 CG_AB42_19 1 4.230483e-04 5.722178e-07 ; 3.325538e-01 7.819134e-02 6.198837e-04 1.201900e-04 0.000485 0.003309 True native_MD 7 104 175 N_AB42_12 CD1_AB42_19 1 3.659536e-04 3.505873e-07 ; 3.139750e-01 9.549832e-02 1.040503e-03 4.042624e-04 0.000485 0.003309 True native_MD 7 104 176 N_AB42_12 CD2_AB42_19 1 3.659536e-04 3.505873e-07 ; 3.139750e-01 9.549832e-02 1.040503e-03 4.042624e-04 0.000485 0.003309 True native_MD 7 104 177 @@ -25728,7 +25728,7 @@ OE2_AB42_11 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 N_AB42_12 CE2_AB42_19 1 9.014361e-04 1.779433e-06 ; 3.541803e-01 1.141637e-01 1.818995e-03 1.304434e-03 0.000485 0.003309 True native_MD 7 104 179 N_AB42_12 CZ_AB42_19 1 1.329451e-03 3.690703e-06 ; 3.748920e-01 1.197224e-01 2.148207e-03 1.831670e-03 0.000485 0.003309 True native_MD 7 104 180 N_AB42_12 N_AB42_20 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 104 183 - N_AB42_12 CB_AB42_20 1 0.000000e+00 3.674844e-06 ; 3.140014e-01 -3.674844e-06 6.496230e-04 3.130242e-04 0.000485 0.000060 True native_MD 7 104 186 + N_AB42_12 CB_AB42_20 1 0.000000e+00 3.674796e-06 ; 3.140011e-01 -3.674796e-06 6.496230e-04 3.130242e-04 0.000485 0.000060 True native_MD 7 104 186 N_AB42_12 CG_AB42_20 1 9.053688e-04 2.133518e-06 ; 3.647918e-01 9.604944e-02 1.057806e-03 2.241469e-04 0.000485 0.003309 True native_MD 7 104 187 N_AB42_12 CD1_AB42_20 1 4.387452e-04 4.358853e-07 ; 3.158833e-01 1.104060e-01 1.625522e-03 3.710776e-04 0.000485 0.003309 True native_MD 7 104 188 N_AB42_12 CD2_AB42_20 1 4.387452e-04 4.358853e-07 ; 3.158833e-01 1.104060e-01 1.625522e-03 3.710776e-04 0.000485 0.003309 True native_MD 7 104 189 @@ -25737,29 +25737,29 @@ OE2_AB42_11 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 N_AB42_12 CZ_AB42_20 1 7.777269e-04 1.195572e-06 ; 3.397228e-01 1.264791e-01 2.629600e-03 1.670454e-03 0.000485 0.003309 True native_MD 7 104 192 N_AB42_12 N_AB42_21 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 3.462609e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 104 195 N_AB42_12 CA_AB42_21 1 2.400749e-03 1.708234e-05 ; 4.385645e-01 8.435015e-02 7.453398e-04 1.537544e-04 0.000485 0.001339 True native_MD 7 104 197 - N_AB42_12 CB_AB42_21 1 0.000000e+00 2.741575e-06 ; 3.064279e-01 -2.741575e-06 9.538338e-04 4.612778e-04 0.000485 0.000060 True native_MD 7 104 198 + N_AB42_12 CB_AB42_21 1 0.000000e+00 2.741549e-06 ; 3.064277e-01 -2.741549e-06 9.538338e-04 4.612778e-04 0.000485 0.000060 True native_MD 7 104 198 N_AB42_12 N_AB42_22 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 104 201 - N_AB42_12 CB_AB42_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 204 - N_AB42_12 CG_AB42_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 205 + N_AB42_12 CB_AB42_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 204 + N_AB42_12 CG_AB42_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 205 N_AB42_12 N_AB42_23 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.432906e-07 0.000000e+00 0.000485 0.000060 True native_MD 7 104 211 - N_AB42_12 CB_AB42_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 214 + N_AB42_12 CB_AB42_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 214 N_AB42_12 N_AB42_24 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 104 220 N_AB42_12 CB_AB42_24 1 2.251681e-03 1.665639e-05 ; 4.414136e-01 7.609789e-02 9.324684e-04 9.563466e-05 0.000485 0.000060 True native_MD 7 104 223 N_AB42_12 CG1_AB42_24 1 5.895460e-04 9.790539e-07 ; 3.441239e-01 8.875009e-02 1.563163e-03 1.097865e-04 0.000485 0.000060 True native_MD 7 104 224 - N_AB42_12 CG2_AB42_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 225 + N_AB42_12 CG2_AB42_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 225 N_AB42_12 N_AB42_25 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.200053e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 104 228 N_AB42_12 CA_AB42_25 1 1.184731e-03 3.525077e-06 ; 3.792493e-01 9.954296e-02 1.174384e-03 7.843027e-05 0.000485 0.001584 True native_MD 7 104 230 N_AB42_12 O_AB42_25 1 1.065477e-04 3.351829e-08 ; 2.607892e-01 8.467326e-02 7.525816e-04 2.899843e-05 0.000485 0.002166 True native_MD 7 104 232 N_AB42_12 N_AB42_26 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.514046e-05 0.000000e+00 0.000485 0.000060 True native_MD 7 104 233 - N_AB42_12 CB_AB42_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 236 + N_AB42_12 CB_AB42_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 236 N_AB42_12 N_AB42_27 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 6.574929e-05 0.000000e+00 0.000485 0.000060 True native_MD 7 104 240 N_AB42_12 CB_AB42_27 1 1.328141e-03 5.760646e-06 ; 4.038355e-01 7.655217e-02 5.902100e-04 4.994588e-05 0.000485 0.000060 True native_MD 7 104 243 N_AB42_12 ND2_AB42_27 1 5.642323e-04 8.919524e-07 ; 3.413086e-01 8.923068e-02 8.625513e-04 2.119122e-04 0.000485 0.002166 True native_MD 7 104 246 N_AB42_12 N_AB42_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 9.382542e-06 0.000000e+00 0.000485 0.000060 True native_MD 7 104 249 - N_AB42_12 CB_AB42_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 252 + N_AB42_12 CB_AB42_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 252 N_AB42_12 CG_AB42_28 1 1.492340e-03 7.197927e-06 ; 4.110455e-01 7.735143e-02 6.518368e-04 6.439144e-05 0.000485 0.000060 True native_MD 7 104 253 - N_AB42_12 CD_AB42_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 254 - N_AB42_12 CE_AB42_28 1 0.000000e+00 3.672482e-06 ; 3.139846e-01 -3.672482e-06 1.122350e-03 1.431907e-04 0.000485 0.000060 True native_MD 7 104 255 + N_AB42_12 CD_AB42_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 254 + N_AB42_12 CE_AB42_28 1 0.000000e+00 3.672434e-06 ; 3.139842e-01 -3.672434e-06 1.122350e-03 1.431907e-04 0.000485 0.000060 True native_MD 7 104 255 N_AB42_12 NZ_AB42_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.075211e-04 6.947638e-05 0.000485 0.000060 True native_MD 7 104 256 N_AB42_12 N_AB42_29 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 4.474591e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 104 259 N_AB42_12 CA_AB42_29 1 9.846865e-04 2.420447e-06 ; 3.673665e-01 1.001476e-01 1.195826e-03 9.766734e-05 0.000485 0.001584 True native_MD 7 104 261 @@ -25828,9 +25828,9 @@ OE2_AB42_11 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 N_AB42_12 CG2_AB42_41 1 6.777759e-04 1.132395e-06 ; 3.444704e-01 1.014178e-01 1.403392e-03 6.746605e-05 0.000485 0.000060 True native_MD 7 104 350 N_AB42_12 CD_AB42_41 1 6.992705e-04 1.210051e-06 ; 3.464919e-01 1.010245e-01 1.324324e-03 6.441878e-05 0.000485 0.000060 True native_MD 7 104 351 N_AB42_12 N_AB42_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 104 354 - N_AB42_12 CB_AB42_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 357 + N_AB42_12 CB_AB42_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 357 H_AB42_12 H_AB42_12 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 105 - H_AB42_12 O_AB42_12 1 0.000000e+00 2.104371e-08 ; 2.042154e-01 -2.104371e-08 1.228385e-01 4.790800e-01 0.000485 0.000060 True native_MD 4 105 111 + H_AB42_12 O_AB42_12 1 0.000000e+00 2.104405e-08 ; 2.042157e-01 -2.104405e-08 1.228385e-01 4.790800e-01 0.000485 0.000060 True native_MD 4 105 111 H_AB42_12 H_AB42_13 1 0.000000e+00 6.639312e-09 ; 1.854977e-01 -6.639312e-09 7.557468e-01 3.090228e-01 0.000485 0.000060 True native_MD 5 105 113 H_AB42_12 O_AB42_13 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 122 H_AB42_12 H_AB42_14 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 124 @@ -25899,16 +25899,16 @@ OE2_AB42_11 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 H_AB42_12 H_AB42_42 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 355 H_AB42_12 O1_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 359 H_AB42_12 O2_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 360 - CA_AB42_12 CB_AB42_13 1 0.000000e+00 3.181353e-05 ; 3.758772e-01 -3.181353e-05 1.000000e+00 9.999962e-01 0.000485 0.000060 True native_MD 4 106 115 - CA_AB42_12 CG_AB42_13 1 0.000000e+00 1.280800e-05 ; 3.484323e-01 -1.280800e-05 7.696583e-01 7.509738e-01 0.000485 0.000060 True native_MD 5 106 116 - CA_AB42_12 ND1_AB42_13 1 0.000000e+00 8.678838e-06 ; 3.373133e-01 -8.678838e-06 5.842823e-01 4.576431e-01 0.000485 0.000060 True native_MD 6 106 117 - CA_AB42_12 CD2_AB42_13 1 0.000000e+00 1.449756e-05 ; 3.520488e-01 -1.449756e-05 3.687776e-01 4.795427e-01 0.000485 0.000060 True native_MD 6 106 118 + CA_AB42_12 CB_AB42_13 1 0.000000e+00 3.181340e-05 ; 3.758771e-01 -3.181340e-05 1.000000e+00 9.999962e-01 0.000485 0.000060 True native_MD 4 106 115 + CA_AB42_12 CG_AB42_13 1 0.000000e+00 1.280793e-05 ; 3.484322e-01 -1.280793e-05 7.696583e-01 7.509738e-01 0.000485 0.000060 True native_MD 5 106 116 + CA_AB42_12 ND1_AB42_13 1 0.000000e+00 8.678788e-06 ; 3.373131e-01 -8.678788e-06 5.842823e-01 4.576431e-01 0.000485 0.000060 True native_MD 6 106 117 + CA_AB42_12 CD2_AB42_13 1 0.000000e+00 1.449748e-05 ; 3.520487e-01 -1.449748e-05 3.687776e-01 4.795427e-01 0.000485 0.000060 True native_MD 6 106 118 CA_AB42_12 CE1_AB42_13 1 5.758397e-03 6.443287e-05 ; 4.729345e-01 1.286577e-01 3.266244e-01 2.248985e-01 0.000485 0.001933 True native_MD 7 106 119 CA_AB42_12 NE2_AB42_13 1 3.959215e-03 3.741344e-05 ; 4.598008e-01 1.047443e-01 1.577606e-01 1.539276e-01 0.000485 0.001339 True native_MD 7 106 120 - CA_AB42_12 C_AB42_13 1 0.000000e+00 1.305188e-05 ; 3.489804e-01 -1.305188e-05 9.999988e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 106 121 - CA_AB42_12 O_AB42_13 1 0.000000e+00 4.902949e-06 ; 3.216373e-01 -4.902949e-06 1.857100e-01 3.661495e-01 0.000485 0.000060 True native_MD 5 106 122 - CA_AB42_12 N_AB42_14 1 0.000000e+00 6.217749e-06 ; 3.280684e-01 -6.217749e-06 8.620178e-01 6.828433e-01 0.000485 0.000060 True native_MD 5 106 123 - CA_AB42_12 CA_AB42_14 1 0.000000e+00 5.266659e-05 ; 3.920032e-01 -5.266659e-05 8.614458e-01 6.648322e-01 0.000485 0.000060 True native_MD 6 106 125 + CA_AB42_12 C_AB42_13 1 0.000000e+00 1.305181e-05 ; 3.489803e-01 -1.305181e-05 9.999988e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 106 121 + CA_AB42_12 O_AB42_13 1 0.000000e+00 4.902988e-06 ; 3.216375e-01 -4.902988e-06 1.857100e-01 3.661495e-01 0.000485 0.000060 True native_MD 5 106 122 + CA_AB42_12 N_AB42_14 1 0.000000e+00 6.217739e-06 ; 3.280684e-01 -6.217739e-06 8.620178e-01 6.828433e-01 0.000485 0.000060 True native_MD 5 106 123 + CA_AB42_12 CA_AB42_14 1 0.000000e+00 5.266698e-05 ; 3.920034e-01 -5.266698e-05 8.614458e-01 6.648322e-01 0.000485 0.000060 True native_MD 6 106 125 CA_AB42_12 CB_AB42_14 1 8.339499e-03 1.469233e-04 ; 5.101037e-01 1.183394e-01 4.984452e-01 2.468942e-01 0.000485 0.001021 True native_MD 7 106 126 CA_AB42_12 CG_AB42_14 1 3.267110e-03 2.706431e-05 ; 4.498201e-01 9.859857e-02 6.039512e-02 7.082501e-02 0.000485 0.001339 True native_MD 7 106 127 CA_AB42_12 ND1_AB42_14 1 6.828662e-04 1.285873e-06 ; 3.514070e-01 9.065950e-02 6.752571e-02 1.004252e-01 0.000485 0.001339 True native_MD 7 106 128 @@ -26096,62 +26096,62 @@ OE2_AB42_11 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 CA_AB42_12 O_AB42_41 1 9.613952e-04 2.360068e-06 ; 3.672855e-01 9.790829e-02 1.118317e-03 1.509331e-04 0.000485 0.001339 True native_MD 7 106 353 CA_AB42_12 CA_AB42_42 1 9.438237e-03 1.323980e-04 ; 4.910946e-01 1.682055e-01 9.166301e-03 7.228145e-04 0.000485 0.000883 True native_MD 7 106 356 CA_AB42_12 CB_AB42_42 1 3.661505e-03 1.989915e-05 ; 4.193042e-01 1.684320e-01 9.228647e-03 6.704778e-04 0.000485 0.001932 True native_MD 7 106 357 - CB_AB42_12 C_AB42_12 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 107 110 + CB_AB42_12 C_AB42_12 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 107 110 CB_AB42_12 O_AB42_12 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 107 111 - CB_AB42_12 N_AB42_13 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 107 112 - CB_AB42_12 CA_AB42_13 1 0.000000e+00 6.555639e-05 ; 3.992206e-01 -6.555639e-05 9.999901e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 107 114 - CB_AB42_12 CB_AB42_13 1 0.000000e+00 2.980226e-05 ; 3.738371e-01 -2.980226e-05 9.816328e-01 9.184085e-01 0.000485 0.000060 True native_MD 5 107 115 - CB_AB42_12 CG_AB42_13 1 0.000000e+00 1.132354e-05 ; 3.448738e-01 -1.132354e-05 3.366820e-01 2.042620e-01 0.000485 0.000060 True native_MD 6 107 116 - CB_AB42_12 ND1_AB42_13 1 0.000000e+00 7.562937e-06 ; 3.334668e-01 -7.562937e-06 3.871224e-01 1.481889e-01 0.000485 0.000060 True native_MD 7 107 117 + CB_AB42_12 N_AB42_13 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 107 112 + CB_AB42_12 CA_AB42_13 1 0.000000e+00 6.555687e-05 ; 3.992208e-01 -6.555687e-05 9.999901e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 107 114 + CB_AB42_12 CB_AB42_13 1 0.000000e+00 2.980213e-05 ; 3.738370e-01 -2.980213e-05 9.816328e-01 9.184085e-01 0.000485 0.000060 True native_MD 5 107 115 + CB_AB42_12 CG_AB42_13 1 0.000000e+00 1.132348e-05 ; 3.448736e-01 -1.132348e-05 3.366820e-01 2.042620e-01 0.000485 0.000060 True native_MD 6 107 116 + CB_AB42_12 ND1_AB42_13 1 0.000000e+00 7.562893e-06 ; 3.334666e-01 -7.562893e-06 3.871224e-01 1.481889e-01 0.000485 0.000060 True native_MD 7 107 117 CB_AB42_12 CD2_AB42_13 1 1.536654e-03 4.383361e-06 ; 3.765927e-01 1.346743e-01 2.791545e-01 1.605414e-01 0.000485 0.001933 True native_MD 7 107 118 CB_AB42_12 CE1_AB42_13 1 3.153606e-03 1.780849e-05 ; 4.219911e-01 1.396136e-01 1.966664e-01 9.756149e-02 0.000485 0.001933 True native_MD 7 107 119 - CB_AB42_12 NE2_AB42_13 1 0.000000e+00 8.661321e-06 ; 3.372565e-01 -8.661321e-06 2.092048e-01 8.080283e-02 0.000485 0.000060 True native_MD 7 107 120 - CB_AB42_12 C_AB42_13 1 0.000000e+00 1.513502e-05 ; 3.533135e-01 -1.513502e-05 5.228091e-01 6.824151e-01 0.000485 0.000060 True native_MD 5 107 121 - CB_AB42_12 O_AB42_13 1 0.000000e+00 4.722713e-06 ; 3.206350e-01 -4.722713e-06 5.132063e-02 1.883664e-01 0.000485 0.000060 True native_MD 6 107 122 - CB_AB42_12 N_AB42_14 1 0.000000e+00 9.231539e-06 ; 3.390532e-01 -9.231539e-06 1.236267e-01 3.423125e-01 0.000485 0.000060 True native_MD 6 107 123 - CB_AB42_12 CA_AB42_14 1 0.000000e+00 8.192525e-05 ; 4.067053e-01 -8.192525e-05 1.217107e-01 3.714144e-01 0.000485 0.000883 True native_MD 7 107 125 - CB_AB42_12 CB_AB42_14 1 0.000000e+00 3.669770e-05 ; 3.803776e-01 -3.669770e-05 4.751378e-02 2.010342e-01 0.000485 0.001021 True native_MD 7 107 126 - CB_AB42_12 CG_AB42_14 1 0.000000e+00 1.371639e-05 ; 3.504276e-01 -1.371639e-05 3.721093e-02 8.812490e-02 0.000485 0.000060 True native_MD 7 107 127 - CB_AB42_12 ND1_AB42_14 1 0.000000e+00 1.036399e-05 ; 3.423384e-01 -1.036399e-05 5.252039e-02 9.546003e-02 0.000485 0.000060 True native_MD 7 107 128 + CB_AB42_12 NE2_AB42_13 1 0.000000e+00 8.661271e-06 ; 3.372563e-01 -8.661271e-06 2.092048e-01 8.080283e-02 0.000485 0.000060 True native_MD 7 107 120 + CB_AB42_12 C_AB42_13 1 0.000000e+00 1.513494e-05 ; 3.533134e-01 -1.513494e-05 5.228091e-01 6.824151e-01 0.000485 0.000060 True native_MD 5 107 121 + CB_AB42_12 O_AB42_13 1 0.000000e+00 4.722751e-06 ; 3.206352e-01 -4.722751e-06 5.132063e-02 1.883664e-01 0.000485 0.000060 True native_MD 6 107 122 + CB_AB42_12 N_AB42_14 1 0.000000e+00 9.231524e-06 ; 3.390532e-01 -9.231524e-06 1.236267e-01 3.423125e-01 0.000485 0.000060 True native_MD 6 107 123 + CB_AB42_12 CA_AB42_14 1 0.000000e+00 8.192585e-05 ; 4.067055e-01 -8.192585e-05 1.217107e-01 3.714144e-01 0.000485 0.000883 True native_MD 7 107 125 + CB_AB42_12 CB_AB42_14 1 0.000000e+00 3.669754e-05 ; 3.803774e-01 -3.669754e-05 4.751378e-02 2.010342e-01 0.000485 0.001021 True native_MD 7 107 126 + CB_AB42_12 CG_AB42_14 1 0.000000e+00 1.371632e-05 ; 3.504275e-01 -1.371632e-05 3.721093e-02 8.812490e-02 0.000485 0.000060 True native_MD 7 107 127 + CB_AB42_12 ND1_AB42_14 1 0.000000e+00 1.036393e-05 ; 3.423382e-01 -1.036393e-05 5.252039e-02 9.546003e-02 0.000485 0.000060 True native_MD 7 107 128 CB_AB42_12 CD2_AB42_14 1 1.201272e-03 4.015467e-06 ; 3.866777e-01 8.984358e-02 4.717905e-02 1.037866e-01 0.000485 0.001933 True native_MD 7 107 129 CB_AB42_12 CE1_AB42_14 1 6.545155e-04 1.062645e-06 ; 3.428294e-01 1.007840e-01 6.531918e-02 1.035724e-01 0.000485 0.001933 True native_MD 7 107 130 - CB_AB42_12 NE2_AB42_14 1 0.000000e+00 1.024574e-05 ; 3.420112e-01 -1.024574e-05 5.513806e-02 8.617792e-02 0.000485 0.000060 True native_MD 7 107 131 - CB_AB42_12 C_AB42_14 1 0.000000e+00 1.407908e-05 ; 3.511906e-01 -1.407908e-05 3.938651e-02 1.180891e-01 0.000485 0.000060 True native_MD 7 107 132 - CB_AB42_12 O_AB42_14 1 0.000000e+00 4.465910e-06 ; 3.191446e-01 -4.465910e-06 3.337233e-02 1.085899e-01 0.000485 0.001191 True native_MD 7 107 133 - CB_AB42_12 N_AB42_15 1 0.000000e+00 7.757424e-06 ; 3.341731e-01 -7.757424e-06 5.084664e-02 7.492970e-02 0.000485 0.000060 True native_MD 7 107 134 + CB_AB42_12 NE2_AB42_14 1 0.000000e+00 1.024568e-05 ; 3.420110e-01 -1.024568e-05 5.513806e-02 8.617792e-02 0.000485 0.000060 True native_MD 7 107 131 + CB_AB42_12 C_AB42_14 1 0.000000e+00 1.407901e-05 ; 3.511904e-01 -1.407901e-05 3.938651e-02 1.180891e-01 0.000485 0.000060 True native_MD 7 107 132 + CB_AB42_12 O_AB42_14 1 0.000000e+00 4.465946e-06 ; 3.191448e-01 -4.465946e-06 3.337233e-02 1.085899e-01 0.000485 0.001191 True native_MD 7 107 133 + CB_AB42_12 N_AB42_15 1 0.000000e+00 7.757412e-06 ; 3.341730e-01 -7.757412e-06 5.084664e-02 7.492970e-02 0.000485 0.000060 True native_MD 7 107 134 CB_AB42_12 CA_AB42_15 1 7.268871e-03 1.214949e-04 ; 5.056483e-01 1.087216e-01 2.707943e-01 1.546368e-01 0.000485 0.000883 True native_MD 7 107 136 CB_AB42_12 CB_AB42_15 1 3.015675e-03 1.803611e-05 ; 4.260491e-01 1.260568e-01 3.313817e-01 1.302930e-01 0.000485 0.001021 True native_MD 7 107 137 CB_AB42_12 CG_AB42_15 1 3.015680e-03 1.853117e-05 ; 4.279762e-01 1.226896e-01 3.026219e-01 1.315998e-01 0.000485 0.001021 True native_MD 7 107 138 - CB_AB42_12 CD_AB42_15 1 0.000000e+00 1.106397e-05 ; 3.442080e-01 -1.106397e-05 2.291038e-01 7.679675e-02 0.000485 0.000060 True native_MD 7 107 139 + CB_AB42_12 CD_AB42_15 1 0.000000e+00 1.106392e-05 ; 3.442078e-01 -1.106392e-05 2.291038e-01 7.679675e-02 0.000485 0.000060 True native_MD 7 107 139 CB_AB42_12 OE1_AB42_15 1 8.392914e-04 1.224575e-06 ; 3.367793e-01 1.438071e-01 1.849215e-01 4.984733e-02 0.000485 0.001191 True native_MD 7 107 140 - CB_AB42_12 NE2_AB42_15 1 0.000000e+00 1.193528e-05 ; 3.463892e-01 -1.193528e-05 1.566586e-01 7.153388e-02 0.000485 0.000060 True native_MD 7 107 141 - CB_AB42_12 C_AB42_15 1 0.000000e+00 1.282835e-05 ; 3.484784e-01 -1.282835e-05 3.704938e-02 1.992438e-02 0.000485 0.000060 True native_MD 7 107 142 + CB_AB42_12 NE2_AB42_15 1 0.000000e+00 1.193535e-05 ; 3.463894e-01 -1.193535e-05 1.566586e-01 7.153388e-02 0.000485 0.000060 True native_MD 7 107 141 + CB_AB42_12 C_AB42_15 1 0.000000e+00 1.282829e-05 ; 3.484783e-01 -1.282829e-05 3.704938e-02 1.992438e-02 0.000485 0.000060 True native_MD 7 107 142 CB_AB42_12 O_AB42_15 1 1.141653e-03 2.412550e-06 ; 3.582259e-01 1.350617e-01 5.607058e-02 1.963589e-02 0.000485 0.001191 True native_MD 7 107 143 - CB_AB42_12 N_AB42_16 1 0.000000e+00 7.578919e-06 ; 3.335254e-01 -7.578919e-06 8.955911e-03 9.473977e-03 0.000485 0.000060 True native_MD 7 107 144 + CB_AB42_12 N_AB42_16 1 0.000000e+00 7.578907e-06 ; 3.335254e-01 -7.578907e-06 8.955911e-03 9.473977e-03 0.000485 0.000060 True native_MD 7 107 144 CB_AB42_12 CA_AB42_16 1 4.818782e-03 6.026895e-05 ; 4.817918e-01 9.632098e-02 3.908621e-02 3.234919e-02 0.000485 0.000883 True native_MD 7 107 146 CB_AB42_12 CB_AB42_16 1 1.910405e-03 1.016507e-05 ; 4.178279e-01 8.975954e-02 2.793473e-02 3.254473e-02 0.000485 0.001021 True native_MD 7 107 147 CB_AB42_12 CG_AB42_16 1 2.007344e-03 1.135579e-05 ; 4.221167e-01 8.870877e-02 3.453371e-02 4.151796e-02 0.000485 0.001021 True native_MD 7 107 148 CB_AB42_12 CD_AB42_16 1 1.645224e-03 7.868378e-06 ; 4.104655e-01 8.600124e-02 3.448936e-02 4.496419e-02 0.000485 0.001021 True native_MD 7 107 149 CB_AB42_12 CE_AB42_16 1 1.985935e-03 1.074762e-05 ; 4.190102e-01 9.173978e-02 4.188156e-02 4.598568e-02 0.000485 0.001021 True native_MD 7 107 150 - CB_AB42_12 NZ_AB42_16 1 0.000000e+00 7.612317e-06 ; 3.336477e-01 -7.612317e-06 1.731533e-02 2.224237e-02 0.000485 0.000060 True native_MD 7 107 151 - CB_AB42_12 C_AB42_16 1 0.000000e+00 1.301582e-05 ; 3.489000e-01 -1.301582e-05 6.858298e-03 4.096856e-03 0.000485 0.000060 True native_MD 7 107 152 + CB_AB42_12 NZ_AB42_16 1 0.000000e+00 7.612305e-06 ; 3.336476e-01 -7.612305e-06 1.731533e-02 2.224237e-02 0.000485 0.000060 True native_MD 7 107 151 + CB_AB42_12 C_AB42_16 1 0.000000e+00 1.301576e-05 ; 3.488998e-01 -1.301576e-05 6.858298e-03 4.096856e-03 0.000485 0.000060 True native_MD 7 107 152 CB_AB42_12 O_AB42_16 1 8.653196e-04 1.905722e-06 ; 3.607008e-01 9.822763e-02 4.824320e-03 5.087118e-03 0.000485 0.001191 True native_MD 7 107 153 - CB_AB42_12 N_AB42_17 1 0.000000e+00 7.508634e-06 ; 3.332666e-01 -7.508634e-06 1.063700e-02 1.876546e-03 0.000485 0.000060 True native_MD 7 107 154 + CB_AB42_12 N_AB42_17 1 0.000000e+00 7.508623e-06 ; 3.332665e-01 -7.508623e-06 1.063700e-02 1.876546e-03 0.000485 0.000060 True native_MD 7 107 154 CB_AB42_12 CA_AB42_17 1 4.402685e-03 4.356811e-05 ; 4.633493e-01 1.112261e-01 3.463028e-02 1.834760e-02 0.000485 0.000883 True native_MD 7 107 156 CB_AB42_12 CB_AB42_17 1 2.151481e-03 9.979850e-06 ; 4.083800e-01 1.159554e-01 4.132574e-02 2.198355e-02 0.000485 0.001021 True native_MD 7 107 157 CB_AB42_12 CG_AB42_17 1 3.495129e-03 2.592228e-05 ; 4.416060e-01 1.178130e-01 1.017278e-01 4.425421e-02 0.000485 0.000883 True native_MD 7 107 158 CB_AB42_12 CD1_AB42_17 1 1.960763e-03 6.739178e-06 ; 3.884755e-01 1.426210e-01 8.334709e-02 3.778512e-02 0.000485 0.001932 True native_MD 7 107 159 CB_AB42_12 CD2_AB42_17 1 1.899999e-03 5.831129e-06 ; 3.812120e-01 1.547726e-01 8.675898e-02 2.734102e-02 0.000485 0.001932 True native_MD 7 107 160 - CB_AB42_12 C_AB42_17 1 0.000000e+00 1.304599e-05 ; 3.489673e-01 -1.304599e-05 7.016075e-03 6.566162e-03 0.000485 0.000060 True native_MD 7 107 161 + CB_AB42_12 C_AB42_17 1 0.000000e+00 1.304593e-05 ; 3.489672e-01 -1.304593e-05 7.016075e-03 6.566162e-03 0.000485 0.000060 True native_MD 7 107 161 CB_AB42_12 O_AB42_17 1 3.695941e-04 4.378692e-07 ; 3.252894e-01 7.799120e-02 4.482377e-03 8.660645e-03 0.000485 0.001191 True native_MD 7 107 162 - CB_AB42_12 N_AB42_18 1 0.000000e+00 7.557250e-06 ; 3.334459e-01 -7.557250e-06 4.076933e-03 1.734433e-03 0.000485 0.000060 True native_MD 7 107 163 + CB_AB42_12 N_AB42_18 1 0.000000e+00 7.557239e-06 ; 3.334458e-01 -7.557239e-06 4.076933e-03 1.734433e-03 0.000485 0.000060 True native_MD 7 107 163 CB_AB42_12 CA_AB42_18 1 4.415793e-03 5.885093e-05 ; 4.869198e-01 8.283313e-02 1.298820e-02 1.609481e-02 0.000485 0.000883 True native_MD 7 107 165 CB_AB42_12 CB_AB42_18 1 2.326030e-03 1.547974e-05 ; 4.337020e-01 8.737899e-02 2.228244e-02 2.410009e-02 0.000485 0.000883 True native_MD 7 107 166 CB_AB42_12 CG1_AB42_18 1 1.543746e-03 5.320793e-06 ; 3.886572e-01 1.119735e-01 1.600914e-02 1.815990e-02 0.000485 0.001932 True native_MD 7 107 167 CB_AB42_12 CG2_AB42_18 1 1.408799e-03 4.354093e-06 ; 3.816583e-01 1.139569e-01 1.942372e-02 2.076348e-02 0.000485 0.001932 True native_MD 7 107 168 - CB_AB42_12 C_AB42_18 1 0.000000e+00 1.306461e-05 ; 3.490088e-01 -1.306461e-05 1.760485e-03 2.736820e-03 0.000485 0.000060 True native_MD 7 107 169 + CB_AB42_12 C_AB42_18 1 0.000000e+00 1.306454e-05 ; 3.490086e-01 -1.306454e-05 1.760485e-03 2.736820e-03 0.000485 0.000060 True native_MD 7 107 169 CB_AB42_12 O_AB42_18 1 8.925989e-04 2.388971e-06 ; 3.726139e-01 8.337614e-02 1.659277e-03 2.728817e-03 0.000485 0.001191 True native_MD 7 107 170 - CB_AB42_12 N_AB42_19 1 0.000000e+00 7.579007e-06 ; 3.335257e-01 -7.579007e-06 1.476130e-03 2.005811e-03 0.000485 0.000060 True native_MD 7 107 171 + CB_AB42_12 N_AB42_19 1 0.000000e+00 7.578995e-06 ; 3.335257e-01 -7.578995e-06 1.476130e-03 2.005811e-03 0.000485 0.000060 True native_MD 7 107 171 CB_AB42_12 CA_AB42_19 1 3.802287e-03 4.575128e-05 ; 4.786959e-01 7.899990e-02 7.258556e-03 1.008803e-02 0.000485 0.000883 True native_MD 7 107 173 CB_AB42_12 CB_AB42_19 1 1.439122e-03 5.503409e-06 ; 3.954477e-01 9.408136e-02 1.101678e-02 1.127773e-02 0.000485 0.001021 True native_MD 7 107 174 CB_AB42_12 CG_AB42_19 1 1.556091e-03 4.994977e-06 ; 3.840753e-01 1.211927e-01 1.013774e-02 8.727696e-03 0.000485 0.001933 True native_MD 7 107 175 @@ -26160,10 +26160,10 @@ OE2_AB42_11 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 CB_AB42_12 CE1_AB42_19 1 9.149044e-04 1.919662e-06 ; 3.578010e-01 1.090101e-01 1.663935e-02 2.062660e-02 0.000485 0.001933 True native_MD 7 107 178 CB_AB42_12 CE2_AB42_19 1 9.149044e-04 1.919662e-06 ; 3.578010e-01 1.090101e-01 1.663935e-02 2.062660e-02 0.000485 0.001933 True native_MD 7 107 179 CB_AB42_12 CZ_AB42_19 1 1.481598e-03 4.796846e-06 ; 3.846250e-01 1.144051e-01 1.989853e-02 2.098919e-02 0.000485 0.001933 True native_MD 7 107 180 - CB_AB42_12 C_AB42_19 1 0.000000e+00 1.306186e-05 ; 3.490027e-01 -1.306186e-05 1.529681e-03 2.295158e-03 0.000485 0.000060 True native_MD 7 107 181 + CB_AB42_12 C_AB42_19 1 0.000000e+00 1.306179e-05 ; 3.490025e-01 -1.306179e-05 1.529681e-03 2.295158e-03 0.000485 0.000060 True native_MD 7 107 181 CB_AB42_12 O_AB42_19 1 7.303525e-04 1.577364e-06 ; 3.595284e-01 8.454214e-02 1.612145e-03 2.560387e-03 0.000485 0.001191 True native_MD 7 107 182 - CB_AB42_12 N_AB42_20 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 107 183 - CB_AB42_12 CA_AB42_20 1 0.000000e+00 6.572642e-05 ; 3.993068e-01 -6.572642e-05 2.877547e-03 5.481106e-03 0.000485 0.000883 True native_MD 7 107 185 + CB_AB42_12 N_AB42_20 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 107 183 + CB_AB42_12 CA_AB42_20 1 0.000000e+00 6.572690e-05 ; 3.993070e-01 -6.572690e-05 2.877547e-03 5.481106e-03 0.000485 0.000883 True native_MD 7 107 185 CB_AB42_12 CB_AB42_20 1 1.881619e-03 9.823066e-06 ; 4.165041e-01 9.010652e-02 5.234241e-03 6.035043e-03 0.000485 0.001021 True native_MD 7 107 186 CB_AB42_12 CG_AB42_20 1 2.278089e-03 1.046835e-05 ; 4.077412e-01 1.239376e-01 5.538279e-03 4.391953e-03 0.000485 0.001933 True native_MD 7 107 187 CB_AB42_12 CD1_AB42_20 1 1.386923e-03 4.144983e-06 ; 3.795291e-01 1.160171e-01 6.584863e-03 6.618667e-03 0.000485 0.001933 True native_MD 7 107 188 @@ -26171,54 +26171,54 @@ OE2_AB42_11 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 CB_AB42_12 CE1_AB42_20 1 1.277898e-03 3.251738e-06 ; 3.694904e-01 1.255501e-01 1.509857e-02 1.140939e-02 0.000485 0.001933 True native_MD 7 107 190 CB_AB42_12 CE2_AB42_20 1 1.277898e-03 3.251738e-06 ; 3.694904e-01 1.255501e-01 1.509857e-02 1.140939e-02 0.000485 0.001933 True native_MD 7 107 191 CB_AB42_12 CZ_AB42_20 1 1.583505e-03 5.063974e-06 ; 3.838357e-01 1.237905e-01 1.658396e-02 1.320943e-02 0.000485 0.001933 True native_MD 7 107 192 - CB_AB42_12 C_AB42_20 1 0.000000e+00 1.306199e-05 ; 3.490030e-01 -1.306199e-05 6.402061e-04 1.416240e-03 0.000485 0.000060 True native_MD 7 107 193 - CB_AB42_12 O_AB42_20 1 0.000000e+00 4.157307e-06 ; 3.172459e-01 -4.157307e-06 5.469484e-04 1.464894e-03 0.000485 0.001191 True native_MD 7 107 194 - CB_AB42_12 N_AB42_21 1 0.000000e+00 7.576337e-06 ; 3.335159e-01 -7.576337e-06 7.576661e-04 9.348587e-04 0.000485 0.000060 True native_MD 7 107 195 + CB_AB42_12 C_AB42_20 1 0.000000e+00 1.306193e-05 ; 3.490028e-01 -1.306193e-05 6.402061e-04 1.416240e-03 0.000485 0.000060 True native_MD 7 107 193 + CB_AB42_12 O_AB42_20 1 0.000000e+00 4.157340e-06 ; 3.172461e-01 -4.157340e-06 5.469484e-04 1.464894e-03 0.000485 0.001191 True native_MD 7 107 194 + CB_AB42_12 N_AB42_21 1 0.000000e+00 7.576325e-06 ; 3.335159e-01 -7.576325e-06 7.576661e-04 9.348587e-04 0.000485 0.000060 True native_MD 7 107 195 CB_AB42_12 CA_AB42_21 1 2.929589e-03 2.756523e-05 ; 4.594721e-01 7.783803e-02 3.478022e-03 5.004824e-03 0.000485 0.000883 True native_MD 7 107 197 CB_AB42_12 CB_AB42_21 1 9.856329e-04 2.201822e-06 ; 3.615579e-01 1.103032e-01 4.139271e-03 4.936024e-03 0.000485 0.001932 True native_MD 7 107 198 - CB_AB42_12 C_AB42_21 1 0.000000e+00 1.304916e-05 ; 3.489744e-01 -1.304916e-05 9.812866e-04 7.741430e-04 0.000485 0.000060 True native_MD 7 107 199 + CB_AB42_12 C_AB42_21 1 0.000000e+00 1.304909e-05 ; 3.489742e-01 -1.304909e-05 9.812866e-04 7.741430e-04 0.000485 0.000060 True native_MD 7 107 199 CB_AB42_12 O_AB42_21 1 1.368401e-03 5.603561e-06 ; 3.999832e-01 8.354158e-02 7.275210e-04 8.193526e-04 0.000485 0.001191 True native_MD 7 107 200 - CB_AB42_12 N_AB42_22 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 107 201 + CB_AB42_12 N_AB42_22 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 107 201 CB_AB42_12 CA_AB42_22 1 2.262581e-03 1.593568e-05 ; 4.378188e-01 8.031149e-02 1.091598e-03 1.458722e-03 0.000485 0.000883 True native_MD 7 107 203 CB_AB42_12 CB_AB42_22 1 3.256068e-03 2.496793e-05 ; 4.440667e-01 1.061559e-01 1.465123e-03 1.044989e-03 0.000485 0.001021 True native_MD 7 107 204 CB_AB42_12 CG_AB42_22 1 1.783773e-03 8.717202e-06 ; 4.119453e-01 9.125194e-02 1.951537e-03 2.174287e-03 0.000485 0.001021 True native_MD 7 107 205 - CB_AB42_12 CD_AB42_22 1 0.000000e+00 1.308124e-05 ; 3.490458e-01 -1.308124e-05 7.154360e-04 2.965881e-03 0.000485 0.000060 True native_MD 7 107 206 - CB_AB42_12 OE1_AB42_22 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 107 207 - CB_AB42_12 OE2_AB42_22 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 107 208 - CB_AB42_12 C_AB42_22 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 107 209 + CB_AB42_12 CD_AB42_22 1 0.000000e+00 1.308117e-05 ; 3.490456e-01 -1.308117e-05 7.154360e-04 2.965881e-03 0.000485 0.000060 True native_MD 7 107 206 + CB_AB42_12 OE1_AB42_22 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 107 207 + CB_AB42_12 OE2_AB42_22 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 107 208 + CB_AB42_12 C_AB42_22 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 107 209 CB_AB42_12 O_AB42_22 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 4.131630e-04 4.354703e-04 0.000485 0.001191 True native_MD 7 107 210 - CB_AB42_12 N_AB42_23 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 107 211 + CB_AB42_12 N_AB42_23 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 107 211 CB_AB42_12 CA_AB42_23 1 4.143470e-03 3.646257e-05 ; 4.543744e-01 1.177121e-01 2.820652e-03 1.230767e-03 0.000485 0.000883 True native_MD 7 107 213 CB_AB42_12 CB_AB42_23 1 2.011114e-03 9.335098e-06 ; 4.084263e-01 1.083165e-01 2.820044e-03 1.885442e-03 0.000485 0.001021 True native_MD 7 107 214 - CB_AB42_12 CG_AB42_23 1 0.000000e+00 1.304841e-05 ; 3.489727e-01 -1.304841e-05 2.099838e-03 1.835416e-03 0.000485 0.000060 True native_MD 7 107 215 - CB_AB42_12 OD1_AB42_23 1 0.000000e+00 3.360895e-06 ; 3.116733e-01 -3.360895e-06 1.464754e-03 1.073739e-03 0.000485 0.000060 True native_MD 7 107 216 - CB_AB42_12 OD2_AB42_23 1 0.000000e+00 3.360895e-06 ; 3.116733e-01 -3.360895e-06 1.464754e-03 1.073739e-03 0.000485 0.000060 True native_MD 7 107 217 - CB_AB42_12 C_AB42_23 1 0.000000e+00 1.303422e-05 ; 3.489411e-01 -1.303422e-05 1.693116e-03 3.412066e-04 0.000485 0.000060 True native_MD 7 107 218 + CB_AB42_12 CG_AB42_23 1 0.000000e+00 1.304835e-05 ; 3.489726e-01 -1.304835e-05 2.099838e-03 1.835416e-03 0.000485 0.000060 True native_MD 7 107 215 + CB_AB42_12 OD1_AB42_23 1 0.000000e+00 3.360922e-06 ; 3.116735e-01 -3.360922e-06 1.464754e-03 1.073739e-03 0.000485 0.000060 True native_MD 7 107 216 + CB_AB42_12 OD2_AB42_23 1 0.000000e+00 3.360922e-06 ; 3.116735e-01 -3.360922e-06 1.464754e-03 1.073739e-03 0.000485 0.000060 True native_MD 7 107 217 + CB_AB42_12 C_AB42_23 1 0.000000e+00 1.303415e-05 ; 3.489409e-01 -1.303415e-05 1.693116e-03 3.412066e-04 0.000485 0.000060 True native_MD 7 107 218 CB_AB42_12 O_AB42_23 1 3.897580e-04 3.477634e-07 ; 3.102760e-01 1.092059e-01 1.568182e-03 5.469817e-04 0.000485 0.001191 True native_MD 7 107 219 - CB_AB42_12 N_AB42_24 1 0.000000e+00 7.567827e-06 ; 3.334847e-01 -7.567827e-06 1.095480e-03 1.492654e-04 0.000485 0.000060 True native_MD 7 107 220 + CB_AB42_12 N_AB42_24 1 0.000000e+00 7.567815e-06 ; 3.334847e-01 -7.567815e-06 1.095480e-03 1.492654e-04 0.000485 0.000060 True native_MD 7 107 220 CB_AB42_12 CA_AB42_24 1 8.404325e-03 1.185066e-04 ; 4.915186e-01 1.490057e-01 6.054684e-03 1.035631e-03 0.000485 0.000883 True native_MD 7 107 222 CB_AB42_12 CB_AB42_24 1 3.874832e-03 2.954997e-05 ; 4.436604e-01 1.270248e-01 8.350251e-03 2.757347e-03 0.000485 0.000883 True native_MD 7 107 223 CB_AB42_12 CG1_AB42_24 1 2.176529e-03 7.539530e-06 ; 3.889824e-01 1.570813e-01 7.128869e-03 2.096594e-03 0.000485 0.001932 True native_MD 7 107 224 CB_AB42_12 CG2_AB42_24 1 2.147986e-03 7.868451e-06 ; 3.926235e-01 1.465931e-01 5.423944e-03 2.183339e-03 0.000485 0.001932 True native_MD 7 107 225 - CB_AB42_12 C_AB42_24 1 0.000000e+00 1.302451e-05 ; 3.489194e-01 -1.302451e-05 2.565054e-03 4.693100e-04 0.000485 0.000060 True native_MD 7 107 226 + CB_AB42_12 C_AB42_24 1 0.000000e+00 1.302444e-05 ; 3.489193e-01 -1.302444e-05 2.565054e-03 4.693100e-04 0.000485 0.000060 True native_MD 7 107 226 CB_AB42_12 O_AB42_24 1 1.720283e-03 6.380700e-06 ; 3.934396e-01 1.159503e-01 1.918891e-03 4.565065e-04 0.000485 0.001191 True native_MD 7 107 227 CB_AB42_12 N_AB42_25 1 1.224080e-03 5.317731e-06 ; 4.039424e-01 7.044225e-02 2.194416e-03 2.665659e-04 0.000485 0.000060 True native_MD 7 107 228 CB_AB42_12 CA_AB42_25 1 2.214102e-03 9.812587e-06 ; 4.052885e-01 1.248969e-01 5.299316e-03 2.157185e-03 0.000485 0.001021 True native_MD 7 107 230 - CB_AB42_12 C_AB42_25 1 0.000000e+00 1.301637e-05 ; 3.489012e-01 -1.301637e-05 3.636827e-03 9.171018e-04 0.000485 0.000060 True native_MD 7 107 231 + CB_AB42_12 C_AB42_25 1 0.000000e+00 1.301630e-05 ; 3.489011e-01 -1.301630e-05 3.636827e-03 9.171018e-04 0.000485 0.000060 True native_MD 7 107 231 CB_AB42_12 O_AB42_25 1 8.749752e-04 1.497058e-06 ; 3.458389e-01 1.278477e-01 2.739540e-03 8.739343e-04 0.000485 0.001191 True native_MD 7 107 232 - CB_AB42_12 N_AB42_26 1 0.000000e+00 7.568725e-06 ; 3.334880e-01 -7.568725e-06 1.201177e-03 3.735396e-04 0.000485 0.000060 True native_MD 7 107 233 + CB_AB42_12 N_AB42_26 1 0.000000e+00 7.568714e-06 ; 3.334880e-01 -7.568714e-06 1.201177e-03 3.735396e-04 0.000485 0.000060 True native_MD 7 107 233 CB_AB42_12 CA_AB42_26 1 3.743212e-03 3.038710e-05 ; 4.483056e-01 1.152762e-01 3.420523e-03 1.605381e-03 0.000485 0.000883 True native_MD 7 107 235 CB_AB42_12 CB_AB42_26 1 2.507585e-03 1.428697e-05 ; 4.226174e-01 1.100301e-01 2.855772e-03 1.813887e-03 0.000485 0.001021 True native_MD 7 107 236 - CB_AB42_12 OG_AB42_26 1 0.000000e+00 5.733126e-06 ; 3.258574e-01 -5.733126e-06 1.539869e-03 1.084537e-03 0.000485 0.000060 True native_MD 7 107 237 - CB_AB42_12 C_AB42_26 1 0.000000e+00 1.303640e-05 ; 3.489459e-01 -1.303640e-05 1.364892e-03 1.800212e-04 0.000485 0.000060 True native_MD 7 107 238 + CB_AB42_12 OG_AB42_26 1 0.000000e+00 5.733107e-06 ; 3.258573e-01 -5.733107e-06 1.539869e-03 1.084537e-03 0.000485 0.000060 True native_MD 7 107 237 + CB_AB42_12 C_AB42_26 1 0.000000e+00 1.303633e-05 ; 3.489458e-01 -1.303633e-05 1.364892e-03 1.800212e-04 0.000485 0.000060 True native_MD 7 107 238 CB_AB42_12 O_AB42_26 1 4.406835e-04 4.748834e-07 ; 3.201917e-01 1.022367e-01 1.272973e-03 2.997952e-04 0.000485 0.001191 True native_MD 7 107 239 CB_AB42_12 N_AB42_27 1 1.868538e-03 1.195312e-05 ; 4.308538e-01 7.302350e-02 5.310624e-04 5.002404e-05 0.000485 0.000060 True native_MD 7 107 240 CB_AB42_12 CA_AB42_27 1 4.484946e-03 4.171237e-05 ; 4.585830e-01 1.205562e-01 2.202482e-03 5.734500e-04 0.000485 0.000883 True native_MD 7 107 242 CB_AB42_12 CB_AB42_27 1 3.524754e-03 2.816054e-05 ; 4.471144e-01 1.102952e-01 1.620143e-03 1.009275e-03 0.000485 0.001021 True native_MD 7 107 243 - CB_AB42_12 CG_AB42_27 1 0.000000e+00 1.304962e-05 ; 3.489754e-01 -1.304962e-05 1.219190e-03 1.046905e-03 0.000485 0.000060 True native_MD 7 107 244 + CB_AB42_12 CG_AB42_27 1 0.000000e+00 1.304955e-05 ; 3.489752e-01 -1.304955e-05 1.219190e-03 1.046905e-03 0.000485 0.000060 True native_MD 7 107 244 CB_AB42_12 OD1_AB42_27 1 1.217924e-03 4.091260e-06 ; 3.869957e-01 9.064071e-02 8.997266e-04 8.663286e-04 0.000485 0.001191 True native_MD 7 107 245 - CB_AB42_12 ND2_AB42_27 1 0.000000e+00 1.304923e-05 ; 3.489745e-01 -1.304923e-05 1.534670e-03 1.797844e-03 0.000485 0.000060 True native_MD 7 107 246 - CB_AB42_12 C_AB42_27 1 0.000000e+00 1.304262e-05 ; 3.489598e-01 -1.304262e-05 9.184426e-04 2.102728e-04 0.000485 0.000060 True native_MD 7 107 247 + CB_AB42_12 ND2_AB42_27 1 0.000000e+00 1.304931e-05 ; 3.489747e-01 -1.304931e-05 1.534670e-03 1.797844e-03 0.000485 0.000060 True native_MD 7 107 246 + CB_AB42_12 C_AB42_27 1 0.000000e+00 1.304255e-05 ; 3.489597e-01 -1.304255e-05 9.184426e-04 2.102728e-04 0.000485 0.000060 True native_MD 7 107 247 CB_AB42_12 O_AB42_27 1 1.736874e-03 9.454308e-06 ; 4.194146e-01 7.977134e-02 6.498978e-04 2.906310e-04 0.000485 0.001191 True native_MD 7 107 248 CB_AB42_12 N_AB42_28 1 2.076534e-03 1.190817e-05 ; 4.230753e-01 9.052588e-02 8.966401e-04 1.731672e-05 0.000485 0.000060 True native_MD 7 107 249 CB_AB42_12 CA_AB42_28 1 7.137383e-03 8.989768e-05 ; 4.823566e-01 1.416673e-01 4.142723e-03 8.443701e-04 0.000485 0.000883 True native_MD 7 107 251 @@ -26226,12 +26226,12 @@ OE2_AB42_11 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 CB_AB42_12 CG_AB42_28 1 3.010009e-03 1.537354e-05 ; 4.149869e-01 1.473336e-01 4.908273e-03 8.830893e-04 0.000485 0.001021 True native_MD 7 107 253 CB_AB42_12 CD_AB42_28 1 4.279317e-03 3.276420e-05 ; 4.439535e-01 1.397299e-01 6.361888e-03 1.661401e-03 0.000485 0.001021 True native_MD 7 107 254 CB_AB42_12 CE_AB42_28 1 2.657081e-03 1.261492e-05 ; 4.099649e-01 1.399152e-01 7.221334e-03 1.875414e-03 0.000485 0.001021 True native_MD 7 107 255 - CB_AB42_12 NZ_AB42_28 1 0.000000e+00 7.569809e-06 ; 3.334920e-01 -7.569809e-06 1.891761e-03 1.207215e-03 0.000485 0.000060 True native_MD 7 107 256 + CB_AB42_12 NZ_AB42_28 1 0.000000e+00 7.569798e-06 ; 3.334920e-01 -7.569798e-06 1.891761e-03 1.207215e-03 0.000485 0.000060 True native_MD 7 107 256 CB_AB42_12 C_AB42_28 1 1.988720e-03 1.064842e-05 ; 4.182654e-01 9.285433e-02 2.439400e-03 1.515257e-04 0.000485 0.000060 True native_MD 7 107 257 CB_AB42_12 O_AB42_28 1 1.212848e-03 3.138501e-06 ; 3.705266e-01 1.171737e-01 1.990449e-03 3.362162e-04 0.000485 0.001191 True native_MD 7 107 258 CB_AB42_12 N_AB42_29 1 1.007023e-03 2.562544e-06 ; 3.694922e-01 9.893449e-02 2.033582e-03 1.053036e-04 0.000485 0.000060 True native_MD 7 107 259 CB_AB42_12 CA_AB42_29 1 2.200793e-03 8.257344e-06 ; 3.941942e-01 1.466419e-01 5.809345e-03 1.233624e-03 0.000485 0.001021 True native_MD 7 107 261 - CB_AB42_12 C_AB42_29 1 0.000000e+00 1.300511e-05 ; 3.488761e-01 -1.300511e-05 4.167756e-03 5.853338e-04 0.000485 0.000060 True native_MD 7 107 262 + CB_AB42_12 C_AB42_29 1 0.000000e+00 1.300504e-05 ; 3.488759e-01 -1.300504e-05 4.167756e-03 5.853338e-04 0.000485 0.000060 True native_MD 7 107 262 CB_AB42_12 O_AB42_29 1 1.131885e-03 2.536286e-06 ; 3.617423e-01 1.262835e-01 2.614257e-03 6.260354e-04 0.000485 0.001191 True native_MD 7 107 263 CB_AB42_12 N_AB42_30 1 1.376390e-03 4.593899e-06 ; 3.865806e-01 1.030959e-01 2.832238e-03 1.294872e-04 0.000485 0.000060 True native_MD 7 107 264 CB_AB42_12 CA_AB42_30 1 3.564976e-03 2.117944e-05 ; 4.255752e-01 1.500164e-01 8.830902e-03 1.465491e-03 0.000485 0.000883 True native_MD 7 107 266 @@ -26314,65 +26314,65 @@ OE2_AB42_11 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 CB_AB42_12 N_AB42_42 1 2.459958e-03 1.561231e-05 ; 4.302854e-01 9.690097e-02 2.799519e-03 1.540614e-04 0.000485 0.000060 True native_MD 7 107 354 CB_AB42_12 CA_AB42_42 1 2.951853e-03 1.281261e-05 ; 4.038845e-01 1.700168e-01 1.421043e-02 1.296127e-03 0.000485 0.000883 True native_MD 7 107 356 CB_AB42_12 CB_AB42_42 1 1.860459e-03 4.708563e-06 ; 3.691572e-01 1.837772e-01 1.460745e-02 1.237809e-03 0.000485 0.001932 True native_MD 7 107 357 - CB_AB42_12 C_AB42_42 1 0.000000e+00 1.299903e-05 ; 3.488625e-01 -1.299903e-05 4.734852e-03 6.870447e-04 0.000485 0.000060 True native_MD 7 107 358 - CB_AB42_12 O1_AB42_42 1 0.000000e+00 3.358000e-06 ; 3.116509e-01 -3.358000e-06 1.615916e-03 3.639565e-04 0.000485 0.000060 True native_MD 7 107 359 - CB_AB42_12 O2_AB42_42 1 0.000000e+00 3.358000e-06 ; 3.116509e-01 -3.358000e-06 1.615916e-03 3.639565e-04 0.000485 0.000060 True native_MD 7 107 360 -CG1_AB42_12 C_AB42_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 110 + CB_AB42_12 C_AB42_42 1 0.000000e+00 1.299897e-05 ; 3.488623e-01 -1.299897e-05 4.734852e-03 6.870447e-04 0.000485 0.000060 True native_MD 7 107 358 + CB_AB42_12 O1_AB42_42 1 0.000000e+00 3.358027e-06 ; 3.116511e-01 -3.358027e-06 1.615916e-03 3.639565e-04 0.000485 0.000060 True native_MD 7 107 359 + CB_AB42_12 O2_AB42_42 1 0.000000e+00 3.358027e-06 ; 3.116511e-01 -3.358027e-06 1.615916e-03 3.639565e-04 0.000485 0.000060 True native_MD 7 107 360 +CG1_AB42_12 C_AB42_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 110 CG1_AB42_12 O_AB42_12 1 0.000000e+00 1.358587e-06 ; 2.890140e-01 -1.358587e-06 9.852529e-01 8.885737e-01 0.000485 0.000060 True native_MD 4 108 111 -CG1_AB42_12 N_AB42_13 1 0.000000e+00 2.717584e-06 ; 3.062036e-01 -2.717584e-06 9.756179e-01 9.663787e-01 0.000485 0.000060 True native_MD 4 108 112 -CG1_AB42_12 CA_AB42_13 1 0.000000e+00 2.769487e-05 ; 3.715594e-01 -2.769487e-05 5.523613e-01 7.190548e-01 0.000485 0.000060 True native_MD 5 108 114 -CG1_AB42_12 CB_AB42_13 1 0.000000e+00 1.032960e-05 ; 3.422436e-01 -1.032960e-05 2.653668e-01 1.620482e-01 0.000485 0.000060 True native_MD 6 108 115 -CG1_AB42_12 CG_AB42_13 1 0.000000e+00 4.338057e-06 ; 3.183730e-01 -4.338057e-06 1.435487e-01 6.143923e-02 0.000485 0.000060 True native_MD 7 108 116 -CG1_AB42_12 ND1_AB42_13 1 0.000000e+00 3.265353e-06 ; 3.109251e-01 -3.265353e-06 1.474284e-01 5.489464e-02 0.000485 0.000060 True native_MD 7 108 117 +CG1_AB42_12 N_AB42_13 1 0.000000e+00 2.717558e-06 ; 3.062033e-01 -2.717558e-06 9.756179e-01 9.663787e-01 0.000485 0.000060 True native_MD 4 108 112 +CG1_AB42_12 CA_AB42_13 1 0.000000e+00 2.769485e-05 ; 3.715594e-01 -2.769485e-05 5.523613e-01 7.190548e-01 0.000485 0.000060 True native_MD 5 108 114 +CG1_AB42_12 CB_AB42_13 1 0.000000e+00 1.032947e-05 ; 3.422432e-01 -1.032947e-05 2.653668e-01 1.620482e-01 0.000485 0.000060 True native_MD 6 108 115 +CG1_AB42_12 CG_AB42_13 1 0.000000e+00 4.338000e-06 ; 3.183727e-01 -4.338000e-06 1.435487e-01 6.143923e-02 0.000485 0.000060 True native_MD 7 108 116 +CG1_AB42_12 ND1_AB42_13 1 0.000000e+00 3.265308e-06 ; 3.109248e-01 -3.265308e-06 1.474284e-01 5.489464e-02 0.000485 0.000060 True native_MD 7 108 117 CG1_AB42_12 CD2_AB42_13 1 7.874854e-04 8.887673e-07 ; 3.226693e-01 1.744363e-01 1.233856e-01 5.937491e-02 0.000485 0.005315 True native_MD 7 108 118 CG1_AB42_12 CE1_AB42_13 1 1.038476e-03 1.515942e-06 ; 3.368069e-01 1.778485e-01 1.120723e-01 4.869562e-02 0.000485 0.005315 True native_MD 7 108 119 -CG1_AB42_12 NE2_AB42_13 1 0.000000e+00 3.353344e-06 ; 3.116149e-01 -3.353344e-06 1.089198e-01 4.083949e-02 0.000485 0.000060 True native_MD 7 108 120 -CG1_AB42_12 C_AB42_13 1 0.000000e+00 5.498082e-06 ; 3.247227e-01 -5.498082e-06 9.424015e-02 2.575807e-01 0.000485 0.000060 True native_MD 6 108 121 +CG1_AB42_12 NE2_AB42_13 1 0.000000e+00 3.353299e-06 ; 3.116145e-01 -3.353299e-06 1.089198e-01 4.083949e-02 0.000485 0.000060 True native_MD 7 108 120 +CG1_AB42_12 C_AB42_13 1 0.000000e+00 5.498010e-06 ; 3.247223e-01 -5.498010e-06 9.424015e-02 2.575807e-01 0.000485 0.000060 True native_MD 6 108 121 CG1_AB42_12 O_AB42_13 1 0.000000e+00 1.598338e-06 ; 2.929549e-01 -1.598338e-06 3.975298e-02 1.024839e-01 0.000485 0.001191 True native_MD 7 108 122 -CG1_AB42_12 N_AB42_14 1 0.000000e+00 3.037230e-06 ; 3.090543e-01 -3.037230e-06 5.930727e-02 1.666028e-01 0.000485 0.000060 True native_MD 7 108 123 +CG1_AB42_12 N_AB42_14 1 0.000000e+00 3.037201e-06 ; 3.090541e-01 -3.037201e-06 5.930727e-02 1.666028e-01 0.000485 0.000060 True native_MD 7 108 123 CG1_AB42_12 CA_AB42_14 1 1.776600e-03 9.555634e-06 ; 4.185799e-01 8.257710e-02 7.467018e-02 2.041492e-01 0.000485 0.001932 True native_MD 7 108 125 CG1_AB42_12 CB_AB42_14 1 1.272787e-03 4.684323e-06 ; 3.929300e-01 8.645791e-02 4.559819e-02 1.339444e-01 0.000485 0.002332 True native_MD 7 108 126 -CG1_AB42_12 CG_AB42_14 1 0.000000e+00 4.919032e-06 ; 3.217251e-01 -4.919032e-06 3.649202e-02 7.731119e-02 0.000485 0.000060 True native_MD 7 108 127 -CG1_AB42_12 ND1_AB42_14 1 0.000000e+00 3.711585e-06 ; 3.142618e-01 -3.711585e-06 3.958930e-02 7.106668e-02 0.000485 0.000060 True native_MD 7 108 128 +CG1_AB42_12 CG_AB42_14 1 0.000000e+00 4.918968e-06 ; 3.217248e-01 -4.918968e-06 3.649202e-02 7.731119e-02 0.000485 0.000060 True native_MD 7 108 127 +CG1_AB42_12 ND1_AB42_14 1 0.000000e+00 3.711534e-06 ; 3.142615e-01 -3.711534e-06 3.958930e-02 7.106668e-02 0.000485 0.000060 True native_MD 7 108 128 CG1_AB42_12 CD2_AB42_14 1 6.760302e-04 9.250808e-07 ; 3.331979e-01 1.235073e-01 3.620660e-02 7.998971e-02 0.000485 0.005315 True native_MD 7 108 129 CG1_AB42_12 CE1_AB42_14 1 3.794412e-04 2.643388e-07 ; 2.977392e-01 1.361658e-01 4.967133e-02 7.513353e-02 0.000485 0.005315 True native_MD 7 108 130 -CG1_AB42_12 NE2_AB42_14 1 0.000000e+00 3.682025e-06 ; 3.140525e-01 -3.682025e-06 4.318470e-02 6.644731e-02 0.000485 0.000060 True native_MD 7 108 131 -CG1_AB42_12 C_AB42_14 1 0.000000e+00 4.971489e-06 ; 3.220096e-01 -4.971489e-06 4.060805e-02 9.252675e-02 0.000485 0.000060 True native_MD 7 108 132 +CG1_AB42_12 NE2_AB42_14 1 0.000000e+00 3.681975e-06 ; 3.140521e-01 -3.681975e-06 4.318470e-02 6.644731e-02 0.000485 0.000060 True native_MD 7 108 131 +CG1_AB42_12 C_AB42_14 1 0.000000e+00 4.971424e-06 ; 3.220093e-01 -4.971424e-06 4.060805e-02 9.252675e-02 0.000485 0.000060 True native_MD 7 108 132 CG1_AB42_12 O_AB42_14 1 1.885271e-04 1.259775e-07 ; 2.956786e-01 7.053334e-02 2.994414e-02 7.232362e-02 0.000485 0.001191 True native_MD 7 108 133 -CG1_AB42_12 N_AB42_15 1 0.000000e+00 2.827212e-06 ; 3.072144e-01 -2.827212e-06 2.700996e-02 5.773828e-02 0.000485 0.000060 True native_MD 7 108 134 +CG1_AB42_12 N_AB42_15 1 0.000000e+00 2.827185e-06 ; 3.072141e-01 -2.827185e-06 2.700996e-02 5.773828e-02 0.000485 0.000060 True native_MD 7 108 134 CG1_AB42_12 CA_AB42_15 1 1.541118e-03 5.923073e-06 ; 3.957782e-01 1.002455e-01 6.012487e-02 9.687788e-02 0.000485 0.001932 True native_MD 7 108 136 CG1_AB42_12 CB_AB42_15 1 1.467618e-03 3.931291e-06 ; 3.726665e-01 1.369717e-01 1.249513e-01 8.094808e-02 0.000485 0.002332 True native_MD 7 108 137 CG1_AB42_12 CG_AB42_15 1 1.688165e-03 5.105193e-06 ; 3.802766e-01 1.395589e-01 1.419814e-01 8.512803e-02 0.000485 0.002332 True native_MD 7 108 138 -CG1_AB42_12 CD_AB42_15 1 0.000000e+00 4.306384e-06 ; 3.181787e-01 -4.306384e-06 1.450150e-01 5.620391e-02 0.000485 0.000060 True native_MD 7 108 139 +CG1_AB42_12 CD_AB42_15 1 0.000000e+00 4.306328e-06 ; 3.181783e-01 -4.306328e-06 1.450150e-01 5.620391e-02 0.000485 0.000060 True native_MD 7 108 139 CG1_AB42_12 OE1_AB42_15 1 5.733688e-04 5.862258e-07 ; 3.173987e-01 1.401984e-01 1.282900e-01 3.852540e-02 0.000485 0.001191 True native_MD 7 108 140 -CG1_AB42_12 NE2_AB42_15 1 0.000000e+00 4.489400e-06 ; 3.192842e-01 -4.489400e-06 1.018823e-01 5.223752e-02 0.000485 0.000060 True native_MD 7 108 141 -CG1_AB42_12 C_AB42_15 1 0.000000e+00 4.745077e-06 ; 3.207613e-01 -4.745077e-06 1.211676e-02 1.612883e-02 0.000485 0.000060 True native_MD 7 108 142 +CG1_AB42_12 NE2_AB42_15 1 0.000000e+00 4.489392e-06 ; 3.192841e-01 -4.489392e-06 1.018823e-01 5.223752e-02 0.000485 0.000060 True native_MD 7 108 141 +CG1_AB42_12 C_AB42_15 1 0.000000e+00 4.745015e-06 ; 3.207609e-01 -4.745015e-06 1.211676e-02 1.612883e-02 0.000485 0.000060 True native_MD 7 108 142 CG1_AB42_12 O_AB42_15 1 4.400859e-04 4.433343e-07 ; 3.166156e-01 1.092153e-01 1.783984e-02 1.354012e-02 0.000485 0.001191 True native_MD 7 108 143 -CG1_AB42_12 N_AB42_16 1 0.000000e+00 2.757438e-06 ; 3.065753e-01 -2.757438e-06 3.503504e-03 8.794100e-03 0.000485 0.000060 True native_MD 7 108 144 +CG1_AB42_12 N_AB42_16 1 0.000000e+00 2.757412e-06 ; 3.065750e-01 -2.757412e-06 3.503504e-03 8.794100e-03 0.000485 0.000060 True native_MD 7 108 144 CG1_AB42_12 CA_AB42_16 1 2.088737e-03 1.021006e-05 ; 4.119623e-01 1.068265e-01 1.727990e-02 2.286546e-02 0.000485 0.001932 True native_MD 7 108 146 CG1_AB42_12 CB_AB42_16 1 1.383716e-03 4.272976e-06 ; 3.816049e-01 1.120220e-01 1.643867e-02 2.246961e-02 0.000485 0.002332 True native_MD 7 108 147 CG1_AB42_12 CG_AB42_16 1 1.233915e-03 3.349370e-06 ; 3.734906e-01 1.136442e-01 2.225073e-02 2.897277e-02 0.000485 0.002332 True native_MD 7 108 148 CG1_AB42_12 CD_AB42_16 1 1.203325e-03 3.212850e-06 ; 3.724643e-01 1.126718e-01 2.486388e-02 3.333136e-02 0.000485 0.002332 True native_MD 7 108 149 CG1_AB42_12 CE_AB42_16 1 1.094591e-03 2.624115e-06 ; 3.658378e-01 1.141460e-01 2.750611e-02 3.528204e-02 0.000485 0.002332 True native_MD 7 108 150 -CG1_AB42_12 NZ_AB42_16 1 0.000000e+00 2.759866e-06 ; 3.065978e-01 -2.759866e-06 1.329376e-02 1.946956e-02 0.000485 0.000060 True native_MD 7 108 151 -CG1_AB42_12 C_AB42_16 1 0.000000e+00 4.725081e-06 ; 3.206484e-01 -4.725081e-06 5.093719e-03 4.874810e-03 0.000485 0.000060 True native_MD 7 108 152 +CG1_AB42_12 NZ_AB42_16 1 0.000000e+00 2.759840e-06 ; 3.065975e-01 -2.759840e-06 1.329376e-02 1.946956e-02 0.000485 0.000060 True native_MD 7 108 151 +CG1_AB42_12 C_AB42_16 1 0.000000e+00 4.725019e-06 ; 3.206481e-01 -4.725019e-06 5.093719e-03 4.874810e-03 0.000485 0.000060 True native_MD 7 108 152 CG1_AB42_12 O_AB42_16 1 4.890506e-04 7.339398e-07 ; 3.383642e-01 8.146803e-02 3.201484e-03 5.574489e-03 0.000485 0.001191 True native_MD 7 108 153 -CG1_AB42_12 N_AB42_17 1 0.000000e+00 2.735322e-06 ; 3.063696e-01 -2.735322e-06 5.489771e-03 2.717669e-03 0.000485 0.000060 True native_MD 7 108 154 +CG1_AB42_12 N_AB42_17 1 0.000000e+00 2.735297e-06 ; 3.063694e-01 -2.735297e-06 5.489771e-03 2.717669e-03 0.000485 0.000060 True native_MD 7 108 154 CG1_AB42_12 CA_AB42_17 1 2.829521e-03 1.566821e-05 ; 4.206147e-01 1.277458e-01 2.553905e-02 1.807021e-02 0.000485 0.001932 True native_MD 7 108 156 CG1_AB42_12 CB_AB42_17 1 1.460399e-03 3.866888e-06 ; 3.719475e-01 1.378864e-01 3.149652e-02 1.985369e-02 0.000485 0.002332 True native_MD 7 108 157 CG1_AB42_12 CG_AB42_17 1 2.469212e-03 1.070805e-05 ; 4.038239e-01 1.423463e-01 8.214992e-02 3.754974e-02 0.000485 0.001932 True native_MD 7 108 158 CG1_AB42_12 CD1_AB42_17 1 1.325902e-03 2.550774e-06 ; 3.526631e-01 1.723023e-01 6.429647e-02 3.297773e-02 0.000485 0.005315 True native_MD 7 108 159 CG1_AB42_12 CD2_AB42_17 1 1.401829e-03 2.638311e-06 ; 3.513758e-01 1.862104e-01 7.058053e-02 2.387588e-02 0.000485 0.005315 True native_MD 7 108 160 -CG1_AB42_12 C_AB42_17 1 0.000000e+00 4.744025e-06 ; 3.207554e-01 -4.744025e-06 3.962736e-03 7.752227e-03 0.000485 0.000060 True native_MD 7 108 161 +CG1_AB42_12 C_AB42_17 1 0.000000e+00 4.743963e-06 ; 3.207550e-01 -4.743963e-06 3.962736e-03 7.752227e-03 0.000485 0.000060 True native_MD 7 108 161 CG1_AB42_12 O_AB42_17 1 0.000000e+00 1.512606e-06 ; 2.916121e-01 -1.512606e-06 3.075600e-03 8.802961e-03 0.000485 0.001191 True native_MD 7 108 162 -CG1_AB42_12 N_AB42_18 1 0.000000e+00 2.745372e-06 ; 3.064633e-01 -2.745372e-06 1.935564e-03 2.827430e-03 0.000485 0.000060 True native_MD 7 108 163 +CG1_AB42_12 N_AB42_18 1 0.000000e+00 2.745347e-06 ; 3.064630e-01 -2.745347e-06 1.935564e-03 2.827430e-03 0.000485 0.000060 True native_MD 7 108 163 CG1_AB42_12 CA_AB42_18 1 2.577042e-03 1.758728e-05 ; 4.355247e-01 9.440272e-02 8.050749e-03 1.545052e-02 0.000485 0.001932 True native_MD 7 108 165 CG1_AB42_12 CB_AB42_18 1 1.659277e-03 6.428274e-06 ; 3.963047e-01 1.070739e-01 1.579497e-02 2.074640e-02 0.000485 0.001932 True native_MD 7 108 166 CG1_AB42_12 CG1_AB42_18 1 1.046944e-03 1.946393e-06 ; 3.506586e-01 1.407849e-01 1.158209e-02 1.525601e-02 0.000485 0.005315 True native_MD 7 108 167 CG1_AB42_12 CG2_AB42_18 1 1.071489e-03 2.010070e-06 ; 3.511860e-01 1.427922e-01 1.367189e-02 1.695880e-02 0.000485 0.005315 True native_MD 7 108 168 -CG1_AB42_12 C_AB42_18 1 0.000000e+00 4.739306e-06 ; 3.207288e-01 -4.739306e-06 1.158908e-03 3.949902e-03 0.000485 0.000060 True native_MD 7 108 169 +CG1_AB42_12 C_AB42_18 1 0.000000e+00 4.739244e-06 ; 3.207284e-01 -4.739244e-06 1.158908e-03 3.949902e-03 0.000485 0.000060 True native_MD 7 108 169 CG1_AB42_12 O_AB42_18 1 0.000000e+00 1.507130e-06 ; 2.915239e-01 -1.507130e-06 1.049862e-03 3.136753e-03 0.000485 0.001191 True native_MD 7 108 170 -CG1_AB42_12 N_AB42_19 1 0.000000e+00 2.747269e-06 ; 3.064809e-01 -2.747269e-06 1.103817e-03 2.686952e-03 0.000485 0.000060 True native_MD 7 108 171 +CG1_AB42_12 N_AB42_19 1 0.000000e+00 2.747243e-06 ; 3.064807e-01 -2.747243e-06 1.103817e-03 2.686952e-03 0.000485 0.000060 True native_MD 7 108 171 CG1_AB42_12 CA_AB42_19 1 2.140343e-03 1.184156e-05 ; 4.205532e-01 9.671587e-02 5.229409e-03 9.364750e-03 0.000485 0.001932 True native_MD 7 108 173 CG1_AB42_12 CB_AB42_19 1 1.294396e-03 3.599436e-06 ; 3.749971e-01 1.163697e-01 8.423069e-03 1.010868e-02 0.000485 0.002332 True native_MD 7 108 174 CG1_AB42_12 CG_AB42_19 1 1.386715e-03 3.240999e-06 ; 3.642912e-01 1.483322e-01 7.948635e-03 8.354067e-03 0.000485 0.005315 True native_MD 7 108 175 @@ -26381,9 +26381,9 @@ CG1_AB42_12 CD2_AB42_19 1 9.341898e-04 1.513760e-06 ; 3.427180e-01 1.441296 CG1_AB42_12 CE1_AB42_19 1 6.523031e-04 7.503607e-07 ; 3.236956e-01 1.417650e-01 1.133236e-02 1.449699e-02 0.000485 0.005315 True native_MD 7 108 178 CG1_AB42_12 CE2_AB42_19 1 6.523031e-04 7.503607e-07 ; 3.236956e-01 1.417650e-01 1.133236e-02 1.449699e-02 0.000485 0.005315 True native_MD 7 108 179 CG1_AB42_12 CZ_AB42_19 1 9.319599e-04 1.522341e-06 ; 3.431777e-01 1.426338e-01 1.422695e-02 1.773279e-02 0.000485 0.005315 True native_MD 7 108 180 -CG1_AB42_12 C_AB42_19 1 0.000000e+00 4.731799e-06 ; 3.206864e-01 -4.731799e-06 1.454015e-03 2.656532e-03 0.000485 0.000060 True native_MD 7 108 181 +CG1_AB42_12 C_AB42_19 1 0.000000e+00 4.731737e-06 ; 3.206860e-01 -4.731737e-06 1.454015e-03 2.656532e-03 0.000485 0.000060 True native_MD 7 108 181 CG1_AB42_12 O_AB42_19 1 3.087581e-04 2.877729e-07 ; 3.125397e-01 8.281841e-02 1.641780e-03 2.745480e-03 0.000485 0.001191 True native_MD 7 108 182 -CG1_AB42_12 N_AB42_20 1 0.000000e+00 2.745623e-06 ; 3.064656e-01 -2.745623e-06 5.079684e-04 1.491165e-03 0.000485 0.000060 True native_MD 7 108 183 +CG1_AB42_12 N_AB42_20 1 0.000000e+00 2.745597e-06 ; 3.064654e-01 -2.745597e-06 5.079684e-04 1.491165e-03 0.000485 0.000060 True native_MD 7 108 183 CG1_AB42_12 CA_AB42_20 1 1.369846e-03 5.249899e-06 ; 3.955911e-01 8.935786e-02 2.437206e-03 5.439581e-03 0.000485 0.001932 True native_MD 7 108 185 CG1_AB42_12 CB_AB42_20 1 8.262125e-04 1.584513e-06 ; 3.524796e-01 1.077030e-01 3.667583e-03 5.704820e-03 0.000485 0.002332 True native_MD 7 108 186 CG1_AB42_12 CG_AB42_20 1 1.306921e-03 3.075228e-06 ; 3.647019e-01 1.388550e-01 3.808339e-03 4.342293e-03 0.000485 0.005315 True native_MD 7 108 187 @@ -26392,54 +26392,54 @@ CG1_AB42_12 CD2_AB42_20 1 9.622384e-04 1.506609e-06 ; 3.407634e-01 1.536402 CG1_AB42_12 CE1_AB42_20 1 1.103665e-03 2.027196e-06 ; 3.499530e-01 1.502169e-01 9.131422e-03 9.070881e-03 0.000485 0.005315 True native_MD 7 108 190 CG1_AB42_12 CE2_AB42_20 1 1.103665e-03 2.027196e-06 ; 3.499530e-01 1.502169e-01 9.131422e-03 9.070881e-03 0.000485 0.005315 True native_MD 7 108 191 CG1_AB42_12 CZ_AB42_20 1 1.044424e-03 1.767759e-06 ; 3.452161e-01 1.542660e-01 1.240366e-02 1.091529e-02 0.000485 0.005315 True native_MD 7 108 192 -CG1_AB42_12 C_AB42_20 1 0.000000e+00 4.730844e-06 ; 3.206810e-01 -4.730844e-06 5.648788e-04 1.565278e-03 0.000485 0.000060 True native_MD 7 108 193 +CG1_AB42_12 C_AB42_20 1 0.000000e+00 4.730782e-06 ; 3.206806e-01 -4.730782e-06 5.648788e-04 1.565278e-03 0.000485 0.000060 True native_MD 7 108 193 CG1_AB42_12 O_AB42_20 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 194 -CG1_AB42_12 N_AB42_21 1 0.000000e+00 2.744066e-06 ; 3.064511e-01 -2.744066e-06 5.579759e-04 9.733797e-04 0.000485 0.000060 True native_MD 7 108 195 +CG1_AB42_12 N_AB42_21 1 0.000000e+00 2.744040e-06 ; 3.064509e-01 -2.744040e-06 5.579759e-04 9.733797e-04 0.000485 0.000060 True native_MD 7 108 195 CG1_AB42_12 CA_AB42_21 1 1.756216e-03 7.204828e-06 ; 4.001053e-01 1.070218e-01 3.107742e-03 4.088333e-03 0.000485 0.001932 True native_MD 7 108 197 CG1_AB42_12 CB_AB42_21 1 7.124647e-04 9.370738e-07 ; 3.310054e-01 1.354231e-01 3.436630e-03 4.767443e-03 0.000485 0.005315 True native_MD 7 108 198 -CG1_AB42_12 C_AB42_21 1 0.000000e+00 4.724741e-06 ; 3.206465e-01 -4.724741e-06 1.084060e-03 7.932421e-04 0.000485 0.000060 True native_MD 7 108 199 +CG1_AB42_12 C_AB42_21 1 0.000000e+00 4.724679e-06 ; 3.206462e-01 -4.724679e-06 1.084060e-03 7.932421e-04 0.000485 0.000060 True native_MD 7 108 199 CG1_AB42_12 O_AB42_21 1 4.933280e-04 6.886117e-07 ; 3.343026e-01 8.835621e-02 8.402717e-04 6.554143e-04 0.000485 0.001191 True native_MD 7 108 200 -CG1_AB42_12 N_AB42_22 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 201 +CG1_AB42_12 N_AB42_22 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 201 CG1_AB42_12 CA_AB42_22 1 2.612099e-03 1.672817e-05 ; 4.309331e-01 1.019696e-01 1.262841e-03 1.410054e-03 0.000485 0.001932 True native_MD 7 108 203 CG1_AB42_12 CB_AB42_22 1 2.036412e-03 9.719364e-06 ; 4.103257e-01 1.066678e-01 1.453483e-03 1.003576e-03 0.000485 0.002332 True native_MD 7 108 204 CG1_AB42_12 CG_AB42_22 1 9.216072e-04 1.917346e-06 ; 3.572940e-01 1.107468e-01 1.642188e-03 2.292777e-03 0.000485 0.002332 True native_MD 7 108 205 -CG1_AB42_12 CD_AB42_22 1 0.000000e+00 4.733179e-06 ; 3.206942e-01 -4.733179e-06 8.277769e-04 2.322240e-03 0.000485 0.000060 True native_MD 7 108 206 +CG1_AB42_12 CD_AB42_22 1 0.000000e+00 4.733117e-06 ; 3.206938e-01 -4.733117e-06 8.277769e-04 2.322240e-03 0.000485 0.000060 True native_MD 7 108 206 CG1_AB42_12 OE1_AB42_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 207 CG1_AB42_12 OE2_AB42_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 208 -CG1_AB42_12 C_AB42_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 209 +CG1_AB42_12 C_AB42_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 209 CG1_AB42_12 O_AB42_22 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 210 -CG1_AB42_12 N_AB42_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 211 +CG1_AB42_12 N_AB42_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 211 CG1_AB42_12 CA_AB42_23 1 2.250088e-03 1.061223e-05 ; 4.095132e-01 1.192703e-01 2.119334e-03 1.266043e-03 0.000485 0.001932 True native_MD 7 108 213 CG1_AB42_12 CB_AB42_23 1 1.049526e-03 2.272798e-06 ; 3.596897e-01 1.211617e-01 2.242752e-03 1.799030e-03 0.000485 0.002332 True native_MD 7 108 214 -CG1_AB42_12 CG_AB42_23 1 0.000000e+00 4.726551e-06 ; 3.206567e-01 -4.726551e-06 1.479130e-03 1.571140e-03 0.000485 0.000060 True native_MD 7 108 215 -CG1_AB42_12 OD1_AB42_23 1 0.000000e+00 1.217842e-06 ; 2.863920e-01 -1.217842e-06 6.012106e-04 9.109461e-04 0.000485 0.000060 True native_MD 7 108 216 -CG1_AB42_12 OD2_AB42_23 1 0.000000e+00 1.217842e-06 ; 2.863920e-01 -1.217842e-06 6.012106e-04 9.109461e-04 0.000485 0.000060 True native_MD 7 108 217 -CG1_AB42_12 C_AB42_23 1 0.000000e+00 4.721989e-06 ; 3.206309e-01 -4.721989e-06 1.176593e-03 3.034440e-04 0.000485 0.000060 True native_MD 7 108 218 +CG1_AB42_12 CG_AB42_23 1 0.000000e+00 4.726489e-06 ; 3.206564e-01 -4.726489e-06 1.479130e-03 1.571140e-03 0.000485 0.000060 True native_MD 7 108 215 +CG1_AB42_12 OD1_AB42_23 1 0.000000e+00 1.217843e-06 ; 2.863920e-01 -1.217843e-06 6.012106e-04 9.109461e-04 0.000485 0.000060 True native_MD 7 108 216 +CG1_AB42_12 OD2_AB42_23 1 0.000000e+00 1.217843e-06 ; 2.863920e-01 -1.217843e-06 6.012106e-04 9.109461e-04 0.000485 0.000060 True native_MD 7 108 217 +CG1_AB42_12 C_AB42_23 1 0.000000e+00 4.721927e-06 ; 3.206306e-01 -4.721927e-06 1.176593e-03 3.034440e-04 0.000485 0.000060 True native_MD 7 108 218 CG1_AB42_12 O_AB42_23 1 2.450810e-04 1.523908e-07 ; 2.921515e-01 9.853732e-02 1.139568e-03 5.361843e-04 0.000485 0.001191 True native_MD 7 108 219 -CG1_AB42_12 N_AB42_24 1 0.000000e+00 2.741763e-06 ; 3.064297e-01 -2.741763e-06 6.263454e-04 2.023989e-04 0.000485 0.000060 True native_MD 7 108 220 +CG1_AB42_12 N_AB42_24 1 0.000000e+00 2.741737e-06 ; 3.064294e-01 -2.741737e-06 6.263454e-04 2.023989e-04 0.000485 0.000060 True native_MD 7 108 220 CG1_AB42_12 CA_AB42_24 1 3.429132e-03 2.031488e-05 ; 4.253747e-01 1.447085e-01 4.537447e-03 1.329376e-03 0.000485 0.001932 True native_MD 7 108 222 CG1_AB42_12 CB_AB42_24 1 2.160163e-03 7.768091e-06 ; 3.914155e-01 1.501753e-01 6.657940e-03 2.407625e-03 0.000485 0.001932 True native_MD 7 108 223 CG1_AB42_12 CG1_AB42_24 1 1.103275e-03 1.997373e-06 ; 3.491102e-01 1.523520e-01 5.703633e-03 1.685010e-03 0.000485 0.005315 True native_MD 7 108 224 CG1_AB42_12 CG2_AB42_24 1 6.871325e-04 8.108212e-07 ; 3.250729e-01 1.455780e-01 4.657068e-03 1.588434e-03 0.000485 0.005315 True native_MD 7 108 225 -CG1_AB42_12 C_AB42_24 1 0.000000e+00 4.717644e-06 ; 3.206063e-01 -4.717644e-06 2.101327e-03 3.088031e-04 0.000485 0.000060 True native_MD 7 108 226 +CG1_AB42_12 C_AB42_24 1 0.000000e+00 4.717582e-06 ; 3.206060e-01 -4.717582e-06 2.101327e-03 3.088031e-04 0.000485 0.000060 True native_MD 7 108 226 CG1_AB42_12 O_AB42_24 1 2.862853e-04 1.697469e-07 ; 2.898459e-01 1.207081e-01 2.212513e-03 4.181143e-04 0.000485 0.001191 True native_MD 7 108 227 -CG1_AB42_12 N_AB42_25 1 0.000000e+00 2.740195e-06 ; 3.064151e-01 -2.740195e-06 1.544586e-03 5.490363e-04 0.000485 0.000060 True native_MD 7 108 228 +CG1_AB42_12 N_AB42_25 1 0.000000e+00 2.740170e-06 ; 3.064148e-01 -2.740170e-06 1.544586e-03 5.490363e-04 0.000485 0.000060 True native_MD 7 108 228 CG1_AB42_12 CA_AB42_25 1 1.167851e-03 2.393194e-06 ; 3.563951e-01 1.424744e-01 4.244009e-03 1.840513e-03 0.000485 0.002332 True native_MD 7 108 230 -CG1_AB42_12 C_AB42_25 1 0.000000e+00 4.719834e-06 ; 3.206187e-01 -4.719834e-06 2.441260e-03 1.112211e-03 0.000485 0.000060 True native_MD 7 108 231 +CG1_AB42_12 C_AB42_25 1 0.000000e+00 4.719773e-06 ; 3.206184e-01 -4.719773e-06 2.441260e-03 1.112211e-03 0.000485 0.000060 True native_MD 7 108 231 CG1_AB42_12 O_AB42_25 1 3.816590e-04 2.991386e-07 ; 3.036450e-01 1.217359e-01 2.281625e-03 9.635282e-04 0.000485 0.001191 True native_MD 7 108 232 -CG1_AB42_12 N_AB42_26 1 0.000000e+00 2.741247e-06 ; 3.064249e-01 -2.741247e-06 9.843484e-04 3.721943e-04 0.000485 0.000060 True native_MD 7 108 233 +CG1_AB42_12 N_AB42_26 1 0.000000e+00 2.741221e-06 ; 3.064246e-01 -2.741221e-06 9.843484e-04 3.721943e-04 0.000485 0.000060 True native_MD 7 108 233 CG1_AB42_12 CA_AB42_26 1 1.878952e-03 6.902448e-06 ; 3.928088e-01 1.278699e-01 2.741359e-03 1.537314e-03 0.000485 0.001932 True native_MD 7 108 235 CG1_AB42_12 CB_AB42_26 1 1.536147e-03 4.702310e-06 ; 3.810481e-01 1.254568e-01 2.550370e-03 1.379113e-03 0.000485 0.002332 True native_MD 7 108 236 -CG1_AB42_12 OG_AB42_26 1 0.000000e+00 2.075302e-06 ; 2.994000e-01 -2.075302e-06 1.700369e-03 9.181402e-04 0.000485 0.000060 True native_MD 7 108 237 -CG1_AB42_12 C_AB42_26 1 0.000000e+00 4.721923e-06 ; 3.206306e-01 -4.721923e-06 1.232159e-03 3.451179e-04 0.000485 0.000060 True native_MD 7 108 238 +CG1_AB42_12 OG_AB42_26 1 0.000000e+00 2.075278e-06 ; 2.993997e-01 -2.075278e-06 1.700369e-03 9.181402e-04 0.000485 0.000060 True native_MD 7 108 237 +CG1_AB42_12 C_AB42_26 1 0.000000e+00 4.721862e-06 ; 3.206302e-01 -4.721862e-06 1.232159e-03 3.451179e-04 0.000485 0.000060 True native_MD 7 108 238 CG1_AB42_12 O_AB42_26 1 3.879618e-04 3.926634e-07 ; 3.168633e-01 9.582913e-02 1.050855e-03 3.342353e-04 0.000485 0.001191 True native_MD 7 108 239 CG1_AB42_12 N_AB42_27 1 9.504454e-04 2.996560e-06 ; 3.829270e-01 7.536530e-02 5.696146e-04 5.002360e-05 0.000485 0.000060 True native_MD 7 108 240 CG1_AB42_12 CA_AB42_27 1 1.303161e-03 3.875874e-06 ; 3.792235e-01 1.095384e-01 1.583865e-03 6.999695e-04 0.000485 0.001932 True native_MD 7 108 242 CG1_AB42_12 CB_AB42_27 1 1.185602e-03 3.492023e-06 ; 3.786079e-01 1.006331e-01 1.213330e-03 8.588044e-04 0.000485 0.002332 True native_MD 7 108 243 -CG1_AB42_12 CG_AB42_27 1 0.000000e+00 4.726896e-06 ; 3.206587e-01 -4.726896e-06 9.547166e-04 1.119797e-03 0.000485 0.000060 True native_MD 7 108 244 +CG1_AB42_12 CG_AB42_27 1 0.000000e+00 4.726834e-06 ; 3.206583e-01 -4.726834e-06 9.547166e-04 1.119797e-03 0.000485 0.000060 True native_MD 7 108 244 CG1_AB42_12 OD1_AB42_27 1 3.265850e-04 3.164255e-07 ; 3.145665e-01 8.426771e-02 7.435031e-04 5.729217e-04 0.000485 0.001191 True native_MD 7 108 245 -CG1_AB42_12 ND2_AB42_27 1 0.000000e+00 4.728754e-06 ; 3.206692e-01 -4.728754e-06 6.568560e-04 1.680608e-03 0.000485 0.000060 True native_MD 7 108 246 -CG1_AB42_12 C_AB42_27 1 0.000000e+00 4.721746e-06 ; 3.206296e-01 -4.721746e-06 1.126183e-03 2.015439e-04 0.000485 0.000060 True native_MD 7 108 247 +CG1_AB42_12 ND2_AB42_27 1 0.000000e+00 4.728745e-06 ; 3.206691e-01 -4.728745e-06 6.568560e-04 1.680608e-03 0.000485 0.000060 True native_MD 7 108 246 +CG1_AB42_12 C_AB42_27 1 0.000000e+00 4.721684e-06 ; 3.206292e-01 -4.721684e-06 1.126183e-03 2.015439e-04 0.000485 0.000060 True native_MD 7 108 247 CG1_AB42_12 O_AB42_27 1 5.355823e-04 7.918970e-07 ; 3.375259e-01 9.055734e-02 8.974847e-04 3.368764e-04 0.000485 0.001191 True native_MD 7 108 248 CG1_AB42_12 N_AB42_28 1 4.021177e-04 4.557865e-07 ; 3.229000e-01 8.869208e-02 1.024038e-03 7.204680e-05 0.000485 0.000060 True native_MD 7 108 249 CG1_AB42_12 CA_AB42_28 1 1.787924e-03 5.839558e-06 ; 3.851872e-01 1.368541e-01 3.586998e-03 7.028354e-04 0.000485 0.001932 True native_MD 7 108 251 @@ -26447,12 +26447,12 @@ CG1_AB42_12 CB_AB42_28 1 1.296787e-03 2.980167e-06 ; 3.632693e-01 1.410705 CG1_AB42_12 CG_AB42_28 1 1.707223e-03 4.978750e-06 ; 3.779825e-01 1.463525e-01 4.766263e-03 9.275712e-04 0.000485 0.002332 True native_MD 7 108 253 CG1_AB42_12 CD_AB42_28 1 1.697108e-03 4.523442e-06 ; 3.723574e-01 1.591805e-01 6.996790e-03 1.560588e-03 0.000485 0.002332 True native_MD 7 108 254 CG1_AB42_12 CE_AB42_28 1 1.546296e-03 3.809348e-06 ; 3.675020e-01 1.569187e-01 6.538891e-03 1.723142e-03 0.000485 0.002332 True native_MD 7 108 255 -CG1_AB42_12 NZ_AB42_28 1 0.000000e+00 2.740861e-06 ; 3.064213e-01 -2.740861e-06 2.018488e-03 1.265534e-03 0.000485 0.000060 True native_MD 7 108 256 -CG1_AB42_12 C_AB42_28 1 0.000000e+00 4.717779e-06 ; 3.206071e-01 -4.717779e-06 2.151622e-03 3.876011e-04 0.000485 0.000060 True native_MD 7 108 257 +CG1_AB42_12 NZ_AB42_28 1 0.000000e+00 2.740835e-06 ; 3.064210e-01 -2.740835e-06 2.018488e-03 1.265534e-03 0.000485 0.000060 True native_MD 7 108 256 +CG1_AB42_12 C_AB42_28 1 0.000000e+00 4.717717e-06 ; 3.206067e-01 -4.717717e-06 2.151622e-03 3.876011e-04 0.000485 0.000060 True native_MD 7 108 257 CG1_AB42_12 O_AB42_28 1 3.555326e-04 2.825391e-07 ; 3.043453e-01 1.118459e-01 1.697101e-03 3.343434e-04 0.000485 0.001191 True native_MD 7 108 258 -CG1_AB42_12 N_AB42_29 1 0.000000e+00 2.739625e-06 ; 3.064098e-01 -2.739625e-06 1.466700e-03 2.631395e-04 0.000485 0.000060 True native_MD 7 108 259 +CG1_AB42_12 N_AB42_29 1 0.000000e+00 2.739599e-06 ; 3.064095e-01 -2.739599e-06 1.466700e-03 2.631395e-04 0.000485 0.000060 True native_MD 7 108 259 CG1_AB42_12 CA_AB42_29 1 1.479515e-03 3.742875e-06 ; 3.691314e-01 1.462087e-01 4.745800e-03 1.205411e-03 0.000485 0.002332 True native_MD 7 108 261 -CG1_AB42_12 C_AB42_29 1 0.000000e+00 4.715533e-06 ; 3.205944e-01 -4.715533e-06 2.918658e-03 6.794914e-04 0.000485 0.000060 True native_MD 7 108 262 +CG1_AB42_12 C_AB42_29 1 0.000000e+00 4.715471e-06 ; 3.205940e-01 -4.715471e-06 2.918658e-03 6.794914e-04 0.000485 0.000060 True native_MD 7 108 262 CG1_AB42_12 O_AB42_29 1 5.031001e-04 4.994318e-07 ; 3.158423e-01 1.266988e-01 2.646951e-03 5.675126e-04 0.000485 0.001191 True native_MD 7 108 263 CG1_AB42_12 N_AB42_30 1 7.061246e-04 1.536159e-06 ; 3.599641e-01 8.114588e-02 2.096795e-03 1.848971e-04 0.000485 0.000060 True native_MD 7 108 264 CG1_AB42_12 CA_AB42_30 1 2.088689e-03 6.802223e-06 ; 3.850019e-01 1.603381e-01 7.243426e-03 1.503885e-03 0.000485 0.001932 True native_MD 7 108 266 @@ -26535,65 +26535,65 @@ CG1_AB42_12 O_AB42_41 1 6.194270e-04 6.160562e-07 ; 3.159403e-01 1.557041 CG1_AB42_12 N_AB42_42 1 2.029291e-03 8.755641e-06 ; 4.034818e-01 1.175820e-01 2.818942e-03 8.354352e-05 0.000485 0.000060 True native_MD 7 108 354 CG1_AB42_12 CA_AB42_42 1 1.870426e-03 4.837193e-06 ; 3.704891e-01 1.808122e-01 1.336715e-02 9.393124e-04 0.000485 0.001932 True native_MD 7 108 356 CG1_AB42_12 CB_AB42_42 1 1.182522e-03 1.984947e-06 ; 3.447386e-01 1.761205e-01 1.161615e-02 7.829833e-04 0.000485 0.005315 True native_MD 7 108 357 -CG1_AB42_12 C_AB42_42 1 0.000000e+00 4.710162e-06 ; 3.205639e-01 -4.710162e-06 3.902202e-03 5.266445e-04 0.000485 0.000060 True native_MD 7 108 358 -CG1_AB42_12 O1_AB42_42 1 0.000000e+00 1.216200e-06 ; 2.863598e-01 -1.216200e-06 1.326446e-03 2.876901e-04 0.000485 0.000060 True native_MD 7 108 359 -CG1_AB42_12 O2_AB42_42 1 0.000000e+00 1.216200e-06 ; 2.863598e-01 -1.216200e-06 1.326446e-03 2.876901e-04 0.000485 0.000060 True native_MD 7 108 360 -CG2_AB42_12 C_AB42_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 109 110 +CG1_AB42_12 C_AB42_42 1 0.000000e+00 4.710101e-06 ; 3.205636e-01 -4.710101e-06 3.902202e-03 5.266445e-04 0.000485 0.000060 True native_MD 7 108 358 +CG1_AB42_12 O1_AB42_42 1 0.000000e+00 1.216201e-06 ; 2.863598e-01 -1.216201e-06 1.326446e-03 2.876901e-04 0.000485 0.000060 True native_MD 7 108 359 +CG1_AB42_12 O2_AB42_42 1 0.000000e+00 1.216201e-06 ; 2.863598e-01 -1.216201e-06 1.326446e-03 2.876901e-04 0.000485 0.000060 True native_MD 7 108 360 +CG2_AB42_12 C_AB42_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 109 110 CG2_AB42_12 O_AB42_12 1 0.000000e+00 1.452897e-06 ; 2.906350e-01 -1.452897e-06 9.717114e-01 9.377388e-01 0.000485 0.000060 True native_MD 4 109 111 -CG2_AB42_12 N_AB42_13 1 0.000000e+00 2.662184e-06 ; 3.056785e-01 -2.662184e-06 9.953442e-01 9.659078e-01 0.000485 0.000060 True native_MD 4 109 112 -CG2_AB42_12 CA_AB42_13 1 0.000000e+00 2.020587e-05 ; 3.619246e-01 -2.020587e-05 8.112580e-01 6.624648e-01 0.000485 0.000060 True native_MD 5 109 114 -CG2_AB42_12 CB_AB42_13 1 0.000000e+00 8.385083e-06 ; 3.363468e-01 -8.385083e-06 4.465796e-01 1.744634e-01 0.000485 0.000060 True native_MD 6 109 115 -CG2_AB42_12 CG_AB42_13 1 0.000000e+00 4.215418e-06 ; 3.176131e-01 -4.215418e-06 2.006268e-01 9.256812e-02 0.000485 0.000060 True native_MD 7 109 116 -CG2_AB42_12 ND1_AB42_13 1 0.000000e+00 2.998342e-06 ; 3.087226e-01 -2.998342e-06 2.422058e-01 7.546756e-02 0.000485 0.000060 True native_MD 7 109 117 +CG2_AB42_12 N_AB42_13 1 0.000000e+00 2.662159e-06 ; 3.056782e-01 -2.662159e-06 9.953442e-01 9.659078e-01 0.000485 0.000060 True native_MD 4 109 112 +CG2_AB42_12 CA_AB42_13 1 0.000000e+00 2.020586e-05 ; 3.619246e-01 -2.020586e-05 8.112580e-01 6.624648e-01 0.000485 0.000060 True native_MD 5 109 114 +CG2_AB42_12 CB_AB42_13 1 0.000000e+00 8.384981e-06 ; 3.363464e-01 -8.384981e-06 4.465796e-01 1.744634e-01 0.000485 0.000060 True native_MD 6 109 115 +CG2_AB42_12 CG_AB42_13 1 0.000000e+00 4.215363e-06 ; 3.176127e-01 -4.215363e-06 2.006268e-01 9.256812e-02 0.000485 0.000060 True native_MD 7 109 116 +CG2_AB42_12 ND1_AB42_13 1 0.000000e+00 2.998301e-06 ; 3.087223e-01 -2.998301e-06 2.422058e-01 7.546756e-02 0.000485 0.000060 True native_MD 7 109 117 CG2_AB42_12 CD2_AB42_13 1 8.040800e-04 9.211109e-07 ; 3.234711e-01 1.754796e-01 1.789591e-01 8.347060e-02 0.000485 0.005315 True native_MD 7 109 118 CG2_AB42_12 CE1_AB42_13 1 1.048542e-03 1.550124e-06 ; 3.375179e-01 1.773149e-01 1.589575e-01 7.017912e-02 0.000485 0.005315 True native_MD 7 109 119 -CG2_AB42_12 NE2_AB42_13 1 0.000000e+00 3.251852e-06 ; 3.108178e-01 -3.251852e-06 1.584670e-01 6.218109e-02 0.000485 0.000060 True native_MD 7 109 120 -CG2_AB42_12 C_AB42_13 1 0.000000e+00 5.323094e-06 ; 3.238486e-01 -5.323094e-06 4.304608e-02 1.693608e-01 0.000485 0.000060 True native_MD 6 109 121 +CG2_AB42_12 NE2_AB42_13 1 0.000000e+00 3.251807e-06 ; 3.108175e-01 -3.251807e-06 1.584670e-01 6.218109e-02 0.000485 0.000060 True native_MD 7 109 120 +CG2_AB42_12 C_AB42_13 1 0.000000e+00 5.323024e-06 ; 3.238482e-01 -5.323024e-06 4.304608e-02 1.693608e-01 0.000485 0.000060 True native_MD 6 109 121 CG2_AB42_12 O_AB42_13 1 0.000000e+00 1.588485e-06 ; 2.928039e-01 -1.588485e-06 1.588886e-02 7.206802e-02 0.000485 0.001191 True native_MD 7 109 122 -CG2_AB42_12 N_AB42_14 1 0.000000e+00 3.004665e-06 ; 3.087768e-01 -3.004665e-06 3.083594e-02 1.262591e-01 0.000485 0.000060 True native_MD 7 109 123 -CG2_AB42_12 CA_AB42_14 1 0.000000e+00 2.659766e-05 ; 3.703099e-01 -2.659766e-05 3.709946e-02 1.575712e-01 0.000485 0.001932 True native_MD 7 109 125 -CG2_AB42_12 CB_AB42_14 1 0.000000e+00 1.236313e-05 ; 3.474074e-01 -1.236313e-05 1.851875e-02 9.172451e-02 0.000485 0.002332 True native_MD 7 109 126 -CG2_AB42_12 CG_AB42_14 1 0.000000e+00 4.874137e-06 ; 3.214794e-01 -4.874137e-06 1.636412e-02 4.768408e-02 0.000485 0.000060 True native_MD 7 109 127 -CG2_AB42_12 ND1_AB42_14 1 0.000000e+00 3.709849e-06 ; 3.142496e-01 -3.709849e-06 1.769881e-02 4.869388e-02 0.000485 0.000060 True native_MD 7 109 128 +CG2_AB42_12 N_AB42_14 1 0.000000e+00 3.004636e-06 ; 3.087766e-01 -3.004636e-06 3.083594e-02 1.262591e-01 0.000485 0.000060 True native_MD 7 109 123 +CG2_AB42_12 CA_AB42_14 1 0.000000e+00 2.659764e-05 ; 3.703099e-01 -2.659764e-05 3.709946e-02 1.575712e-01 0.000485 0.001932 True native_MD 7 109 125 +CG2_AB42_12 CB_AB42_14 1 0.000000e+00 1.236298e-05 ; 3.474070e-01 -1.236298e-05 1.851875e-02 9.172451e-02 0.000485 0.002332 True native_MD 7 109 126 +CG2_AB42_12 CG_AB42_14 1 0.000000e+00 4.874074e-06 ; 3.214790e-01 -4.874074e-06 1.636412e-02 4.768408e-02 0.000485 0.000060 True native_MD 7 109 127 +CG2_AB42_12 ND1_AB42_14 1 0.000000e+00 3.709798e-06 ; 3.142492e-01 -3.709798e-06 1.769881e-02 4.869388e-02 0.000485 0.000060 True native_MD 7 109 128 CG2_AB42_12 CD2_AB42_14 1 5.084050e-04 5.810458e-07 ; 3.233455e-01 1.112114e-01 1.627422e-02 5.194600e-02 0.000485 0.005315 True native_MD 7 109 129 CG2_AB42_12 CE1_AB42_14 1 4.815416e-04 4.717787e-07 ; 3.151501e-01 1.228766e-01 2.591752e-02 5.834936e-02 0.000485 0.005315 True native_MD 7 109 130 -CG2_AB42_12 NE2_AB42_14 1 0.000000e+00 3.697413e-06 ; 3.141616e-01 -3.697413e-06 2.218217e-02 4.972118e-02 0.000485 0.000060 True native_MD 7 109 131 -CG2_AB42_12 C_AB42_14 1 0.000000e+00 4.951986e-06 ; 3.219042e-01 -4.951986e-06 1.915170e-02 6.694365e-02 0.000485 0.000060 True native_MD 7 109 132 -CG2_AB42_12 O_AB42_14 1 0.000000e+00 1.574906e-06 ; 2.925945e-01 -1.574906e-06 1.398828e-02 6.113935e-02 0.000485 0.001191 True native_MD 7 109 133 -CG2_AB42_12 N_AB42_15 1 0.000000e+00 2.817048e-06 ; 3.071222e-01 -2.817048e-06 1.578127e-02 4.280425e-02 0.000485 0.000060 True native_MD 7 109 134 +CG2_AB42_12 NE2_AB42_14 1 0.000000e+00 3.697363e-06 ; 3.141613e-01 -3.697363e-06 2.218217e-02 4.972118e-02 0.000485 0.000060 True native_MD 7 109 131 +CG2_AB42_12 C_AB42_14 1 0.000000e+00 4.951921e-06 ; 3.219038e-01 -4.951921e-06 1.915170e-02 6.694365e-02 0.000485 0.000060 True native_MD 7 109 132 +CG2_AB42_12 O_AB42_14 1 0.000000e+00 1.574907e-06 ; 2.925946e-01 -1.574907e-06 1.398828e-02 6.113935e-02 0.000485 0.001191 True native_MD 7 109 133 +CG2_AB42_12 N_AB42_15 1 0.000000e+00 2.817022e-06 ; 3.071219e-01 -2.817022e-06 1.578127e-02 4.280425e-02 0.000485 0.000060 True native_MD 7 109 134 CG2_AB42_12 CA_AB42_15 1 1.824815e-03 8.782664e-06 ; 4.108985e-01 9.478755e-02 4.398371e-02 8.344441e-02 0.000485 0.001932 True native_MD 7 109 136 CG2_AB42_12 CB_AB42_15 1 1.587839e-03 4.918792e-06 ; 3.818053e-01 1.281429e-01 8.169825e-02 6.893246e-02 0.000485 0.002332 True native_MD 7 109 137 CG2_AB42_12 CG_AB42_15 1 1.661382e-03 5.383551e-06 ; 3.846803e-01 1.281770e-01 8.305842e-02 7.000872e-02 0.000485 0.002332 True native_MD 7 109 138 -CG2_AB42_12 CD_AB42_15 1 0.000000e+00 4.588368e-06 ; 3.198649e-01 -4.588368e-06 7.580228e-02 4.665624e-02 0.000485 0.000060 True native_MD 7 109 139 +CG2_AB42_12 CD_AB42_15 1 0.000000e+00 4.588308e-06 ; 3.198645e-01 -4.588308e-06 7.580228e-02 4.665624e-02 0.000485 0.000060 True native_MD 7 109 139 CG2_AB42_12 OE1_AB42_15 1 4.879806e-04 4.789635e-07 ; 3.152463e-01 1.242918e-01 6.831490e-02 3.302193e-02 0.000485 0.001191 True native_MD 7 109 140 -CG2_AB42_12 NE2_AB42_15 1 0.000000e+00 4.629388e-06 ; 3.201022e-01 -4.629388e-06 6.223458e-02 4.222352e-02 0.000485 0.000060 True native_MD 7 109 141 -CG2_AB42_12 C_AB42_15 1 0.000000e+00 4.752180e-06 ; 3.208013e-01 -4.752180e-06 1.004821e-02 1.556309e-02 0.000485 0.000060 True native_MD 7 109 142 +CG2_AB42_12 NE2_AB42_15 1 0.000000e+00 4.629379e-06 ; 3.201021e-01 -4.629379e-06 6.223458e-02 4.222352e-02 0.000485 0.000060 True native_MD 7 109 141 +CG2_AB42_12 C_AB42_15 1 0.000000e+00 4.752118e-06 ; 3.208009e-01 -4.752118e-06 1.004821e-02 1.556309e-02 0.000485 0.000060 True native_MD 7 109 142 CG2_AB42_12 O_AB42_15 1 2.994290e-04 2.345021e-07 ; 3.036049e-01 9.558308e-02 1.067190e-02 1.217999e-02 0.000485 0.001191 True native_MD 7 109 143 -CG2_AB42_12 N_AB42_16 1 0.000000e+00 2.753588e-06 ; 3.065396e-01 -2.753588e-06 4.279344e-03 8.166390e-03 0.000485 0.000060 True native_MD 7 109 144 +CG2_AB42_12 N_AB42_16 1 0.000000e+00 2.753562e-06 ; 3.065394e-01 -2.753562e-06 4.279344e-03 8.166390e-03 0.000485 0.000060 True native_MD 7 109 144 CG2_AB42_12 CA_AB42_16 1 2.519321e-03 1.474063e-05 ; 4.244945e-01 1.076443e-01 1.475986e-02 1.905869e-02 0.000485 0.001932 True native_MD 7 109 146 CG2_AB42_12 CB_AB42_16 1 1.342398e-03 3.901935e-06 ; 3.777749e-01 1.154576e-01 1.426408e-02 1.759223e-02 0.000485 0.002332 True native_MD 7 109 147 CG2_AB42_12 CG_AB42_16 1 1.307722e-03 3.809110e-06 ; 3.779068e-01 1.122400e-01 1.831084e-02 2.486591e-02 0.000485 0.002332 True native_MD 7 109 148 CG2_AB42_12 CD_AB42_16 1 1.088040e-03 2.629712e-06 ; 3.663340e-01 1.125438e-01 1.995833e-02 2.685785e-02 0.000485 0.002332 True native_MD 7 109 149 CG2_AB42_12 CE_AB42_16 1 1.157771e-03 2.919693e-06 ; 3.689372e-01 1.147751e-01 2.267464e-02 2.854222e-02 0.000485 0.002332 True native_MD 7 109 150 -CG2_AB42_12 NZ_AB42_16 1 0.000000e+00 2.755904e-06 ; 3.065611e-01 -2.755904e-06 1.024835e-02 1.497992e-02 0.000485 0.000060 True native_MD 7 109 151 -CG2_AB42_12 C_AB42_16 1 0.000000e+00 4.732265e-06 ; 3.206890e-01 -4.732265e-06 2.837777e-03 4.138870e-03 0.000485 0.000060 True native_MD 7 109 152 +CG2_AB42_12 NZ_AB42_16 1 0.000000e+00 2.755878e-06 ; 3.065608e-01 -2.755878e-06 1.024835e-02 1.497992e-02 0.000485 0.000060 True native_MD 7 109 151 +CG2_AB42_12 C_AB42_16 1 0.000000e+00 4.732203e-06 ; 3.206887e-01 -4.732203e-06 2.837777e-03 4.138870e-03 0.000485 0.000060 True native_MD 7 109 152 CG2_AB42_12 O_AB42_16 1 4.217246e-04 5.609668e-07 ; 3.316281e-01 7.926121e-02 2.574651e-03 4.789095e-03 0.000485 0.001191 True native_MD 7 109 153 -CG2_AB42_12 N_AB42_17 1 0.000000e+00 2.740944e-06 ; 3.064220e-01 -2.740944e-06 2.766493e-03 2.043728e-03 0.000485 0.000060 True native_MD 7 109 154 +CG2_AB42_12 N_AB42_17 1 0.000000e+00 2.740918e-06 ; 3.064218e-01 -2.740918e-06 2.766493e-03 2.043728e-03 0.000485 0.000060 True native_MD 7 109 154 CG2_AB42_12 CA_AB42_17 1 2.458095e-03 1.334775e-05 ; 4.192454e-01 1.131694e-01 1.234453e-02 1.351067e-02 0.000485 0.001932 True native_MD 7 109 156 CG2_AB42_12 CB_AB42_17 1 1.701952e-03 5.689312e-06 ; 3.866803e-01 1.272843e-01 1.754017e-02 1.518463e-02 0.000485 0.002332 True native_MD 7 109 157 CG2_AB42_12 CG_AB42_17 1 2.561975e-03 1.276459e-05 ; 4.132746e-01 1.285532e-01 4.493691e-02 3.103613e-02 0.000485 0.001932 True native_MD 7 109 158 CG2_AB42_12 CD1_AB42_17 1 1.476210e-03 3.298413e-06 ; 3.615704e-01 1.651701e-01 3.940224e-02 2.501781e-02 0.000485 0.005315 True native_MD 7 109 159 CG2_AB42_12 CD2_AB42_17 1 1.447008e-03 3.017667e-06 ; 3.574375e-01 1.734644e-01 4.133176e-02 2.047451e-02 0.000485 0.005315 True native_MD 7 109 160 -CG2_AB42_12 C_AB42_17 1 0.000000e+00 4.740345e-06 ; 3.207346e-01 -4.740345e-06 2.558884e-03 5.569639e-03 0.000485 0.000060 True native_MD 7 109 161 +CG2_AB42_12 C_AB42_17 1 0.000000e+00 4.740283e-06 ; 3.207343e-01 -4.740283e-06 2.558884e-03 5.569639e-03 0.000485 0.000060 True native_MD 7 109 161 CG2_AB42_12 O_AB42_17 1 2.768392e-04 2.687700e-07 ; 3.146726e-01 7.128766e-02 2.862862e-03 6.760286e-03 0.000485 0.001191 True native_MD 7 109 162 -CG2_AB42_12 N_AB42_18 1 0.000000e+00 2.743611e-06 ; 3.064469e-01 -2.743611e-06 1.430419e-03 1.680206e-03 0.000485 0.000060 True native_MD 7 109 163 +CG2_AB42_12 N_AB42_18 1 0.000000e+00 2.743585e-06 ; 3.064466e-01 -2.743585e-06 1.430419e-03 1.680206e-03 0.000485 0.000060 True native_MD 7 109 163 CG2_AB42_12 CA_AB42_18 1 3.494175e-03 3.029221e-05 ; 4.532429e-01 1.007624e-01 7.173198e-03 1.138061e-02 0.000485 0.001932 True native_MD 7 109 165 CG2_AB42_12 CB_AB42_18 1 1.444716e-03 4.808031e-06 ; 3.863944e-01 1.085270e-01 1.393961e-02 1.753026e-02 0.000485 0.001932 True native_MD 7 109 166 CG2_AB42_12 CG1_AB42_18 1 8.911723e-04 1.400534e-06 ; 3.409746e-01 1.417653e-01 1.046519e-02 1.338628e-02 0.000485 0.005315 True native_MD 7 109 167 CG2_AB42_12 CG2_AB42_18 1 1.006266e-03 1.757904e-06 ; 3.470407e-01 1.440026e-01 1.241931e-02 1.485704e-02 0.000485 0.005315 True native_MD 7 109 168 -CG2_AB42_12 C_AB42_18 1 0.000000e+00 4.735092e-06 ; 3.207050e-01 -4.735092e-06 1.147488e-03 3.046875e-03 0.000485 0.000060 True native_MD 7 109 169 +CG2_AB42_12 C_AB42_18 1 0.000000e+00 4.735031e-06 ; 3.207046e-01 -4.735031e-06 1.147488e-03 3.046875e-03 0.000485 0.000060 True native_MD 7 109 169 CG2_AB42_12 O_AB42_18 1 2.755067e-04 2.538661e-07 ; 3.119455e-01 7.474803e-02 1.133695e-03 2.413724e-03 0.000485 0.001191 True native_MD 7 109 170 -CG2_AB42_12 N_AB42_19 1 0.000000e+00 2.746721e-06 ; 3.064758e-01 -2.746721e-06 6.839773e-04 2.067590e-03 0.000485 0.000060 True native_MD 7 109 171 +CG2_AB42_12 N_AB42_19 1 0.000000e+00 2.746695e-06 ; 3.064756e-01 -2.746695e-06 6.839773e-04 2.067590e-03 0.000485 0.000060 True native_MD 7 109 171 CG2_AB42_12 CA_AB42_19 1 1.519097e-03 6.125827e-06 ; 3.989605e-01 9.417729e-02 3.940790e-03 7.614125e-03 0.000485 0.001932 True native_MD 7 109 173 CG2_AB42_12 CB_AB42_19 1 9.106321e-04 1.789327e-06 ; 3.539086e-01 1.158607e-01 7.162970e-03 8.728351e-03 0.000485 0.002332 True native_MD 7 109 174 CG2_AB42_12 CG_AB42_19 1 1.467144e-03 3.503659e-06 ; 3.656017e-01 1.535903e-01 6.751016e-03 6.062288e-03 0.000485 0.005315 True native_MD 7 109 175 @@ -26602,9 +26602,9 @@ CG2_AB42_12 CD2_AB42_19 1 1.156619e-03 2.286854e-06 ; 3.542757e-01 1.462455 CG2_AB42_12 CE1_AB42_19 1 7.725029e-04 1.018142e-06 ; 3.311194e-01 1.465319e-01 1.159230e-02 1.285799e-02 0.000485 0.005315 True native_MD 7 109 178 CG2_AB42_12 CE2_AB42_19 1 7.725029e-04 1.018142e-06 ; 3.311194e-01 1.465319e-01 1.159230e-02 1.285799e-02 0.000485 0.005315 True native_MD 7 109 179 CG2_AB42_12 CZ_AB42_19 1 1.003249e-03 1.736097e-06 ; 3.464928e-01 1.449384e-01 1.325197e-02 1.541677e-02 0.000485 0.005315 True native_MD 7 109 180 -CG2_AB42_12 C_AB42_19 1 0.000000e+00 4.732146e-06 ; 3.206883e-01 -4.732146e-06 6.956040e-04 1.971461e-03 0.000485 0.000060 True native_MD 7 109 181 +CG2_AB42_12 C_AB42_19 1 0.000000e+00 4.732084e-06 ; 3.206880e-01 -4.732084e-06 6.956040e-04 1.971461e-03 0.000485 0.000060 True native_MD 7 109 181 CG2_AB42_12 O_AB42_19 1 0.000000e+00 1.505952e-06 ; 2.915049e-01 -1.505952e-06 6.952118e-04 1.998326e-03 0.000485 0.001191 True native_MD 7 109 182 -CG2_AB42_12 N_AB42_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 109 183 +CG2_AB42_12 N_AB42_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 109 183 CG2_AB42_12 CA_AB42_20 1 3.658712e-03 3.948554e-05 ; 4.700943e-01 8.475365e-02 1.757416e-03 4.501810e-03 0.000485 0.001932 True native_MD 7 109 185 CG2_AB42_12 CB_AB42_20 1 1.253033e-03 3.686620e-06 ; 3.785393e-01 1.064723e-01 3.035747e-03 4.899165e-03 0.000485 0.002332 True native_MD 7 109 186 CG2_AB42_12 CG_AB42_20 1 1.231206e-03 2.865409e-06 ; 3.640346e-01 1.322559e-01 3.125856e-03 4.215349e-03 0.000485 0.005315 True native_MD 7 109 187 @@ -26613,67 +26613,67 @@ CG2_AB42_12 CD2_AB42_20 1 1.184600e-03 2.382574e-06 ; 3.552868e-01 1.472437 CG2_AB42_12 CE1_AB42_20 1 1.058677e-03 1.796411e-06 ; 3.453613e-01 1.559772e-01 1.066178e-02 8.914056e-03 0.000485 0.005315 True native_MD 7 109 190 CG2_AB42_12 CE2_AB42_20 1 1.058677e-03 1.796411e-06 ; 3.453613e-01 1.559772e-01 1.066178e-02 8.914056e-03 0.000485 0.005315 True native_MD 7 109 191 CG2_AB42_12 CZ_AB42_20 1 9.899778e-04 1.601508e-06 ; 3.426236e-01 1.529895e-01 1.109961e-02 1.014806e-02 0.000485 0.005315 True native_MD 7 109 192 -CG2_AB42_12 C_AB42_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 109 193 +CG2_AB42_12 C_AB42_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 109 193 CG2_AB42_12 O_AB42_20 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 109 194 -CG2_AB42_12 N_AB42_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 109 195 +CG2_AB42_12 N_AB42_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 109 195 CG2_AB42_12 CA_AB42_21 1 1.172671e-03 3.533492e-06 ; 3.800476e-01 9.729450e-02 2.217771e-03 3.903373e-03 0.000485 0.001932 True native_MD 7 109 197 CG2_AB42_12 CB_AB42_21 1 8.285345e-04 1.360263e-06 ; 3.434673e-01 1.261648e-01 2.604987e-03 4.355818e-03 0.000485 0.005315 True native_MD 7 109 198 -CG2_AB42_12 C_AB42_21 1 0.000000e+00 4.726583e-06 ; 3.206569e-01 -4.726583e-06 7.494662e-04 8.482974e-04 0.000485 0.000060 True native_MD 7 109 199 +CG2_AB42_12 C_AB42_21 1 0.000000e+00 4.726521e-06 ; 3.206566e-01 -4.726521e-06 7.494662e-04 8.482974e-04 0.000485 0.000060 True native_MD 7 109 199 CG2_AB42_12 O_AB42_21 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 109 200 -CG2_AB42_12 N_AB42_22 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 109 201 +CG2_AB42_12 N_AB42_22 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 109 201 CG2_AB42_12 CA_AB42_22 1 2.150869e-03 1.243610e-05 ; 4.236544e-01 9.300012e-02 9.655505e-04 9.895880e-04 0.000485 0.001932 True native_MD 7 109 203 CG2_AB42_12 CB_AB42_22 1 1.723035e-03 7.995813e-06 ; 4.084085e-01 9.282519e-02 9.605091e-04 1.157993e-03 0.000485 0.002332 True native_MD 7 109 204 CG2_AB42_12 CG_AB42_22 1 8.538749e-04 1.933635e-06 ; 3.623793e-01 9.426577e-02 1.002823e-03 1.403131e-03 0.000485 0.002332 True native_MD 7 109 205 -CG2_AB42_12 CD_AB42_22 1 0.000000e+00 4.732356e-06 ; 3.206895e-01 -4.732356e-06 6.073705e-04 1.927664e-03 0.000485 0.000060 True native_MD 7 109 206 +CG2_AB42_12 CD_AB42_22 1 0.000000e+00 4.732294e-06 ; 3.206892e-01 -4.732294e-06 6.073705e-04 1.927664e-03 0.000485 0.000060 True native_MD 7 109 206 CG2_AB42_12 OE1_AB42_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 109 207 CG2_AB42_12 OE2_AB42_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 109 208 -CG2_AB42_12 C_AB42_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 109 209 +CG2_AB42_12 C_AB42_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 109 209 CG2_AB42_12 O_AB42_22 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 109 210 -CG2_AB42_12 N_AB42_23 1 0.000000e+00 2.742191e-06 ; 3.064337e-01 -2.742191e-06 4.866760e-04 2.185974e-04 0.000485 0.000060 True native_MD 7 109 211 +CG2_AB42_12 N_AB42_23 1 0.000000e+00 2.742165e-06 ; 3.064334e-01 -2.742165e-06 4.866760e-04 2.185974e-04 0.000485 0.000060 True native_MD 7 109 211 CG2_AB42_12 CA_AB42_23 1 1.869157e-03 7.331702e-06 ; 3.971243e-01 1.191315e-01 2.110553e-03 1.018970e-03 0.000485 0.001932 True native_MD 7 109 213 CG2_AB42_12 CB_AB42_23 1 1.065183e-03 2.328524e-06 ; 3.602545e-01 1.218170e-01 2.287169e-03 1.216912e-03 0.000485 0.002332 True native_MD 7 109 214 -CG2_AB42_12 CG_AB42_23 1 0.000000e+00 4.724418e-06 ; 3.206447e-01 -4.724418e-06 1.641602e-03 1.282361e-03 0.000485 0.000060 True native_MD 7 109 215 +CG2_AB42_12 CG_AB42_23 1 0.000000e+00 4.724356e-06 ; 3.206443e-01 -4.724356e-06 1.641602e-03 1.282361e-03 0.000485 0.000060 True native_MD 7 109 215 CG2_AB42_12 OD1_AB42_23 1 0.000000e+00 1.217285e-06 ; 2.863811e-01 -1.217285e-06 1.075749e-03 9.279331e-04 0.000485 0.000060 True native_MD 7 109 216 CG2_AB42_12 OD2_AB42_23 1 0.000000e+00 1.217285e-06 ; 2.863811e-01 -1.217285e-06 1.075749e-03 9.279331e-04 0.000485 0.000060 True native_MD 7 109 217 -CG2_AB42_12 C_AB42_23 1 0.000000e+00 4.721021e-06 ; 3.206255e-01 -4.721021e-06 1.368798e-03 2.908433e-04 0.000485 0.000060 True native_MD 7 109 218 +CG2_AB42_12 C_AB42_23 1 0.000000e+00 4.720959e-06 ; 3.206251e-01 -4.720959e-06 1.368798e-03 2.908433e-04 0.000485 0.000060 True native_MD 7 109 218 CG2_AB42_12 O_AB42_23 1 4.757520e-04 5.287562e-07 ; 3.218443e-01 1.070153e-01 1.468674e-03 4.627633e-04 0.000485 0.001191 True native_MD 7 109 219 -CG2_AB42_12 N_AB42_24 1 0.000000e+00 2.741057e-06 ; 3.064231e-01 -2.741057e-06 9.090862e-04 2.275281e-04 0.000485 0.000060 True native_MD 7 109 220 +CG2_AB42_12 N_AB42_24 1 0.000000e+00 2.741031e-06 ; 3.064229e-01 -2.741031e-06 9.090862e-04 2.275281e-04 0.000485 0.000060 True native_MD 7 109 220 CG2_AB42_12 CA_AB42_24 1 2.312939e-03 1.004018e-05 ; 4.038898e-01 1.332069e-01 3.216096e-03 1.334093e-03 0.000485 0.001932 True native_MD 7 109 222 CG2_AB42_12 CB_AB42_24 1 2.515289e-03 1.107015e-05 ; 4.048190e-01 1.428770e-01 5.231980e-03 2.353797e-03 0.000485 0.001932 True native_MD 7 109 223 CG2_AB42_12 CG1_AB42_24 1 1.101208e-03 2.094188e-06 ; 3.519852e-01 1.447649e-01 4.545107e-03 1.717878e-03 0.000485 0.005315 True native_MD 7 109 224 CG2_AB42_12 CG2_AB42_24 1 9.139309e-04 1.561560e-06 ; 3.457596e-01 1.337236e-01 3.266214e-03 1.820577e-03 0.000485 0.005315 True native_MD 7 109 225 -CG2_AB42_12 C_AB42_24 1 0.000000e+00 4.721585e-06 ; 3.206286e-01 -4.721585e-06 1.486808e-03 5.282109e-04 0.000485 0.000060 True native_MD 7 109 226 +CG2_AB42_12 C_AB42_24 1 0.000000e+00 4.721524e-06 ; 3.206283e-01 -4.721524e-06 1.486808e-03 5.282109e-04 0.000485 0.000060 True native_MD 7 109 226 CG2_AB42_12 O_AB42_24 1 6.981019e-04 1.193141e-06 ; 3.457765e-01 1.021142e-01 1.268315e-03 4.359372e-04 0.000485 0.001191 True native_MD 7 109 227 -CG2_AB42_12 N_AB42_25 1 0.000000e+00 2.740899e-06 ; 3.064216e-01 -2.740899e-06 1.258457e-03 5.195461e-04 0.000485 0.000060 True native_MD 7 109 228 +CG2_AB42_12 N_AB42_25 1 0.000000e+00 2.740873e-06 ; 3.064214e-01 -2.740873e-06 1.258457e-03 5.195461e-04 0.000485 0.000060 True native_MD 7 109 228 CG2_AB42_12 CA_AB42_25 1 9.608353e-04 1.667760e-06 ; 3.466683e-01 1.383898e-01 3.755694e-03 1.384821e-03 0.000485 0.002332 True native_MD 7 109 230 -CG2_AB42_12 C_AB42_25 1 0.000000e+00 4.719253e-06 ; 3.206154e-01 -4.719253e-06 2.144590e-03 6.925746e-04 0.000485 0.000060 True native_MD 7 109 231 +CG2_AB42_12 C_AB42_25 1 0.000000e+00 4.719192e-06 ; 3.206151e-01 -4.719192e-06 2.144590e-03 6.925746e-04 0.000485 0.000060 True native_MD 7 109 231 CG2_AB42_12 O_AB42_25 1 3.991847e-04 3.405863e-07 ; 3.079703e-01 1.169663e-01 1.978132e-03 5.866244e-04 0.000485 0.001191 True native_MD 7 109 232 -CG2_AB42_12 N_AB42_26 1 0.000000e+00 2.742025e-06 ; 3.064321e-01 -2.742025e-06 6.990708e-04 3.706700e-04 0.000485 0.000060 True native_MD 7 109 233 +CG2_AB42_12 N_AB42_26 1 0.000000e+00 2.741999e-06 ; 3.064319e-01 -2.741999e-06 6.990708e-04 3.706700e-04 0.000485 0.000060 True native_MD 7 109 233 CG2_AB42_12 CA_AB42_26 1 2.299097e-03 1.074397e-05 ; 4.088851e-01 1.229956e-01 2.369281e-03 1.664470e-03 0.000485 0.001932 True native_MD 7 109 235 CG2_AB42_12 CB_AB42_26 1 1.207158e-03 3.323207e-06 ; 3.743681e-01 1.096254e-01 1.587991e-03 1.622893e-03 0.000485 0.002332 True native_MD 7 109 236 -CG2_AB42_12 OG_AB42_26 1 0.000000e+00 2.077102e-06 ; 2.994216e-01 -2.077102e-06 1.037184e-03 1.121600e-03 0.000485 0.000060 True native_MD 7 109 237 -CG2_AB42_12 C_AB42_26 1 0.000000e+00 4.722090e-06 ; 3.206315e-01 -4.722090e-06 1.066430e-03 2.146259e-04 0.000485 0.000060 True native_MD 7 109 238 +CG2_AB42_12 OG_AB42_26 1 0.000000e+00 2.077078e-06 ; 2.994213e-01 -2.077078e-06 1.037184e-03 1.121600e-03 0.000485 0.000060 True native_MD 7 109 237 +CG2_AB42_12 C_AB42_26 1 0.000000e+00 4.722028e-06 ; 3.206312e-01 -4.722028e-06 1.066430e-03 2.146259e-04 0.000485 0.000060 True native_MD 7 109 238 CG2_AB42_12 O_AB42_26 1 2.812576e-04 2.108899e-07 ; 3.014106e-01 9.377626e-02 9.882396e-04 1.520050e-04 0.000485 0.001191 True native_MD 7 109 239 -CG2_AB42_12 N_AB42_27 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 109 240 +CG2_AB42_12 N_AB42_27 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 109 240 CG2_AB42_12 CA_AB42_27 1 2.445725e-03 1.356812e-05 ; 4.207447e-01 1.102137e-01 1.616195e-03 8.386240e-04 0.000485 0.001932 True native_MD 7 109 242 CG2_AB42_12 CB_AB42_27 1 7.826985e-04 1.593779e-06 ; 3.560183e-01 9.609499e-02 1.059249e-03 1.352236e-03 0.000485 0.002332 True native_MD 7 109 243 -CG2_AB42_12 CG_AB42_27 1 0.000000e+00 4.726484e-06 ; 3.206564e-01 -4.726484e-06 1.050925e-03 1.128782e-03 0.000485 0.000060 True native_MD 7 109 244 +CG2_AB42_12 CG_AB42_27 1 0.000000e+00 4.726422e-06 ; 3.206560e-01 -4.726422e-06 1.050925e-03 1.128782e-03 0.000485 0.000060 True native_MD 7 109 244 CG2_AB42_12 OD1_AB42_27 1 2.395541e-04 1.802007e-07 ; 3.015728e-01 7.961425e-02 6.468496e-04 7.721489e-04 0.000485 0.001191 True native_MD 7 109 245 -CG2_AB42_12 ND2_AB42_27 1 0.000000e+00 4.726273e-06 ; 3.206552e-01 -4.726273e-06 1.045360e-03 1.543794e-03 0.000485 0.000060 True native_MD 7 109 246 -CG2_AB42_12 C_AB42_27 1 0.000000e+00 4.724439e-06 ; 3.206448e-01 -4.724439e-06 7.281930e-04 3.733515e-04 0.000485 0.000060 True native_MD 7 109 247 +CG2_AB42_12 ND2_AB42_27 1 0.000000e+00 4.726264e-06 ; 3.206551e-01 -4.726264e-06 1.045360e-03 1.543794e-03 0.000485 0.000060 True native_MD 7 109 246 +CG2_AB42_12 C_AB42_27 1 0.000000e+00 4.724377e-06 ; 3.206444e-01 -4.724377e-06 7.281930e-04 3.733515e-04 0.000485 0.000060 True native_MD 7 109 247 CG2_AB42_12 O_AB42_27 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 109 248 -CG2_AB42_12 N_AB42_28 1 0.000000e+00 2.742111e-06 ; 3.064329e-01 -2.742111e-06 5.505705e-04 2.533075e-04 0.000485 0.000060 True native_MD 7 109 249 +CG2_AB42_12 N_AB42_28 1 0.000000e+00 2.742085e-06 ; 3.064327e-01 -2.742085e-06 5.505705e-04 2.533075e-04 0.000485 0.000060 True native_MD 7 109 249 CG2_AB42_12 CA_AB42_28 1 2.784018e-03 1.537612e-05 ; 4.204320e-01 1.260193e-01 2.593671e-03 7.618883e-04 0.000485 0.001932 True native_MD 7 109 251 CG2_AB42_12 CB_AB42_28 1 1.290808e-03 3.166186e-06 ; 3.672365e-01 1.315609e-01 3.061516e-03 8.167479e-04 0.000485 0.002332 True native_MD 7 109 252 CG2_AB42_12 CG_AB42_28 1 1.357589e-03 3.365727e-06 ; 3.678904e-01 1.368982e-01 3.591726e-03 7.703411e-04 0.000485 0.002332 True native_MD 7 109 253 CG2_AB42_12 CD_AB42_28 1 1.545599e-03 4.131691e-06 ; 3.725391e-01 1.445458e-01 4.515412e-03 1.391468e-03 0.000485 0.002332 True native_MD 7 109 254 CG2_AB42_12 CE_AB42_28 1 1.284873e-03 2.809357e-06 ; 3.602670e-01 1.469107e-01 4.846556e-03 1.453807e-03 0.000485 0.002332 True native_MD 7 109 255 -CG2_AB42_12 NZ_AB42_28 1 0.000000e+00 2.739878e-06 ; 3.064121e-01 -2.739878e-06 2.000789e-03 8.894850e-04 0.000485 0.000060 True native_MD 7 109 256 -CG2_AB42_12 C_AB42_28 1 0.000000e+00 4.719320e-06 ; 3.206158e-01 -4.719320e-06 1.707831e-03 2.699506e-04 0.000485 0.000060 True native_MD 7 109 257 +CG2_AB42_12 NZ_AB42_28 1 0.000000e+00 2.739852e-06 ; 3.064119e-01 -2.739852e-06 2.000789e-03 8.894850e-04 0.000485 0.000060 True native_MD 7 109 256 +CG2_AB42_12 C_AB42_28 1 0.000000e+00 4.719258e-06 ; 3.206155e-01 -4.719258e-06 1.707831e-03 2.699506e-04 0.000485 0.000060 True native_MD 7 109 257 CG2_AB42_12 O_AB42_28 1 5.412753e-04 6.579560e-07 ; 3.266854e-01 1.113216e-01 1.670682e-03 3.357541e-04 0.000485 0.001191 True native_MD 7 109 258 CG2_AB42_12 N_AB42_29 1 7.724489e-04 1.670589e-06 ; 3.596113e-01 8.929149e-02 1.464096e-03 1.011761e-04 0.000485 0.000060 True native_MD 7 109 259 CG2_AB42_12 CA_AB42_29 1 1.160286e-03 2.441370e-06 ; 3.579685e-01 1.378595e-01 3.696552e-03 9.306744e-04 0.000485 0.002332 True native_MD 7 109 261 -CG2_AB42_12 C_AB42_29 1 0.000000e+00 4.716599e-06 ; 3.206004e-01 -4.716599e-06 2.503521e-03 4.897853e-04 0.000485 0.000060 True native_MD 7 109 262 +CG2_AB42_12 C_AB42_29 1 0.000000e+00 4.716537e-06 ; 3.206001e-01 -4.716537e-06 2.503521e-03 4.897853e-04 0.000485 0.000060 True native_MD 7 109 262 CG2_AB42_12 O_AB42_29 1 5.195628e-04 5.706436e-07 ; 3.212091e-01 1.182636e-01 2.056442e-03 3.024390e-04 0.000485 0.001191 True native_MD 7 109 263 CG2_AB42_12 N_AB42_30 1 4.070959e-04 4.065755e-07 ; 3.161604e-01 1.019042e-01 2.179061e-03 1.032414e-04 0.000485 0.000060 True native_MD 7 109 264 CG2_AB42_12 CA_AB42_30 1 2.282709e-03 8.068536e-06 ; 3.902929e-01 1.614532e-01 7.489216e-03 1.072864e-03 0.000485 0.001932 True native_MD 7 109 266 @@ -26736,7 +26736,7 @@ CG2_AB42_12 CA_AB42_39 1 5.996617e-03 4.537510e-05 ; 4.430831e-01 1.981231 CG2_AB42_12 CB_AB42_39 1 4.163772e-03 1.894639e-05 ; 4.070739e-01 2.287639e-01 5.613723e-02 1.031641e-03 0.000485 0.001932 True native_MD 7 109 332 CG2_AB42_12 CG1_AB42_39 1 1.774908e-03 3.451588e-06 ; 3.532975e-01 2.281774e-01 5.516065e-02 9.294838e-04 0.000485 0.005315 True native_MD 7 109 333 CG2_AB42_12 CG2_AB42_39 1 1.841320e-03 3.751607e-06 ; 3.560530e-01 2.259338e-01 5.157864e-02 6.870293e-04 0.000485 0.005315 True native_MD 7 109 334 -CG2_AB42_12 C_AB42_39 1 0.000000e+00 4.721750e-06 ; 3.206296e-01 -4.721750e-06 1.222126e-03 2.984628e-04 0.000485 0.000060 True native_MD 7 109 335 +CG2_AB42_12 C_AB42_39 1 0.000000e+00 4.721689e-06 ; 3.206292e-01 -4.721689e-06 1.222126e-03 2.984628e-04 0.000485 0.000060 True native_MD 7 109 335 CG2_AB42_12 O_AB42_39 1 2.321088e-04 1.428810e-07 ; 2.916624e-01 9.426464e-02 1.002789e-03 4.082403e-04 0.000485 0.001191 True native_MD 7 109 336 CG2_AB42_12 N_AB42_40 1 1.016867e-03 2.808758e-06 ; 3.745775e-01 9.203530e-02 9.380707e-04 4.505106e-05 0.000485 0.000060 True native_MD 7 109 337 CG2_AB42_12 CA_AB42_40 1 3.783328e-03 2.343711e-05 ; 4.285535e-01 1.526806e-01 5.760001e-03 3.539686e-04 0.000485 0.001932 True native_MD 7 109 339 @@ -26756,30 +26756,30 @@ CG2_AB42_12 O_AB42_41 1 5.841167e-04 6.714915e-07 ; 3.236608e-01 1.270278 CG2_AB42_12 N_AB42_42 1 1.948399e-03 9.540145e-06 ; 4.120781e-01 9.948117e-02 1.702904e-03 8.674943e-05 0.000485 0.000060 True native_MD 7 109 354 CG2_AB42_12 CA_AB42_42 1 2.085100e-03 6.125342e-06 ; 3.784431e-01 1.774449e-01 1.208580e-02 1.091914e-03 0.000485 0.001932 True native_MD 7 109 356 CG2_AB42_12 CB_AB42_42 1 1.162244e-03 1.919271e-06 ; 3.438005e-01 1.759537e-01 1.155833e-02 9.681436e-04 0.000485 0.005315 True native_MD 7 109 357 -CG2_AB42_12 C_AB42_42 1 0.000000e+00 4.713083e-06 ; 3.205805e-01 -4.713083e-06 3.548648e-03 7.909653e-04 0.000485 0.000060 True native_MD 7 109 358 +CG2_AB42_12 C_AB42_42 1 0.000000e+00 4.713021e-06 ; 3.205801e-01 -4.713021e-06 3.548648e-03 7.909653e-04 0.000485 0.000060 True native_MD 7 109 358 CG2_AB42_12 O1_AB42_42 1 0.000000e+00 1.215671e-06 ; 2.863494e-01 -1.215671e-06 1.764438e-03 2.903895e-04 0.000485 0.000060 True native_MD 7 109 359 CG2_AB42_12 O2_AB42_42 1 0.000000e+00 1.215671e-06 ; 2.863494e-01 -1.215671e-06 1.764438e-03 2.903895e-04 0.000485 0.000060 True native_MD 7 109 360 - C_AB42_12 CB_AB42_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 110 115 - C_AB42_12 CG_AB42_13 1 0.000000e+00 2.655472e-06 ; 3.056142e-01 -2.655472e-06 9.274341e-01 9.493317e-01 0.000485 0.000060 True native_MD 4 110 116 - C_AB42_12 ND1_AB42_13 1 0.000000e+00 1.732796e-06 ; 2.949334e-01 -1.732796e-06 6.713544e-01 5.471800e-01 0.000485 0.000060 True native_MD 5 110 117 - C_AB42_12 CD2_AB42_13 1 0.000000e+00 3.141542e-06 ; 3.099252e-01 -3.141542e-06 3.747060e-01 5.836564e-01 0.000485 0.000060 True native_MD 5 110 118 - C_AB42_12 CE1_AB42_13 1 0.000000e+00 2.731638e-06 ; 3.063352e-01 -2.731638e-06 1.506432e-01 2.018514e-01 0.000485 0.000060 True native_MD 6 110 119 - C_AB42_12 NE2_AB42_13 1 0.000000e+00 2.032040e-06 ; 2.988748e-01 -2.032040e-06 1.071049e-01 1.341808e-01 0.000485 0.000060 True native_MD 6 110 120 - C_AB42_12 O_AB42_13 1 0.000000e+00 7.497494e-07 ; 2.750456e-01 -7.497494e-07 8.777525e-01 7.844045e-01 0.000485 0.000060 True native_MD 4 110 122 - C_AB42_12 N_AB42_14 1 0.000000e+00 1.488698e-06 ; 2.912252e-01 -1.488698e-06 9.863944e-01 9.734974e-01 0.000485 0.000060 True native_MD 4 110 123 - C_AB42_12 CA_AB42_14 1 0.000000e+00 1.187039e-05 ; 3.462319e-01 -1.187039e-05 9.424381e-01 8.519162e-01 0.000485 0.000060 True native_MD 5 110 125 - C_AB42_12 CB_AB42_14 1 0.000000e+00 5.414236e-06 ; 3.243071e-01 -5.414236e-06 3.622675e-01 2.170621e-01 0.000485 0.000060 True native_MD 6 110 126 + C_AB42_12 CB_AB42_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 110 115 + C_AB42_12 CG_AB42_13 1 0.000000e+00 2.655425e-06 ; 3.056137e-01 -2.655425e-06 9.274341e-01 9.493317e-01 0.000485 0.000060 True native_MD 4 110 116 + C_AB42_12 ND1_AB42_13 1 0.000000e+00 1.732764e-06 ; 2.949329e-01 -1.732764e-06 6.713544e-01 5.471800e-01 0.000485 0.000060 True native_MD 5 110 117 + C_AB42_12 CD2_AB42_13 1 0.000000e+00 3.141487e-06 ; 3.099248e-01 -3.141487e-06 3.747060e-01 5.836564e-01 0.000485 0.000060 True native_MD 5 110 118 + C_AB42_12 CE1_AB42_13 1 0.000000e+00 2.731590e-06 ; 3.063348e-01 -2.731590e-06 1.506432e-01 2.018514e-01 0.000485 0.000060 True native_MD 6 110 119 + C_AB42_12 NE2_AB42_13 1 0.000000e+00 2.032003e-06 ; 2.988744e-01 -2.032003e-06 1.071049e-01 1.341808e-01 0.000485 0.000060 True native_MD 6 110 120 + C_AB42_12 O_AB42_13 1 0.000000e+00 7.497459e-07 ; 2.750455e-01 -7.497459e-07 8.777525e-01 7.844045e-01 0.000485 0.000060 True native_MD 4 110 122 + C_AB42_12 N_AB42_14 1 0.000000e+00 1.488677e-06 ; 2.912248e-01 -1.488677e-06 9.863944e-01 9.734974e-01 0.000485 0.000060 True native_MD 4 110 123 + C_AB42_12 CA_AB42_14 1 0.000000e+00 1.187032e-05 ; 3.462317e-01 -1.187032e-05 9.424381e-01 8.519162e-01 0.000485 0.000060 True native_MD 5 110 125 + C_AB42_12 CB_AB42_14 1 0.000000e+00 5.414145e-06 ; 3.243066e-01 -5.414145e-06 3.622675e-01 2.170621e-01 0.000485 0.000060 True native_MD 6 110 126 C_AB42_12 CG_AB42_14 1 1.765532e-03 6.958767e-06 ; 3.974442e-01 1.119847e-01 5.836248e-02 7.417900e-02 0.000485 0.002166 True native_MD 7 110 127 C_AB42_12 ND1_AB42_14 1 4.822253e-04 5.618809e-07 ; 3.243887e-01 1.034655e-01 5.653741e-02 9.272833e-02 0.000485 0.002166 True native_MD 7 110 128 C_AB42_12 CD2_AB42_14 1 7.726065e-04 1.252985e-06 ; 3.427662e-01 1.190997e-01 6.009013e-02 9.431098e-02 0.000485 0.003309 True native_MD 7 110 129 C_AB42_12 CE1_AB42_14 1 1.022521e-03 2.117603e-06 ; 3.570223e-01 1.234355e-01 4.961470e-02 6.839405e-02 0.000485 0.003309 True native_MD 7 110 130 C_AB42_12 NE2_AB42_14 1 8.128534e-04 1.451497e-06 ; 3.483111e-01 1.138016e-01 3.847130e-02 4.631047e-02 0.000485 0.002166 True native_MD 7 110 131 - C_AB42_12 C_AB42_14 1 0.000000e+00 1.705907e-06 ; 2.945493e-01 -1.705907e-06 4.570363e-01 1.135153e-01 0.000485 0.000060 True native_MD 6 110 132 + C_AB42_12 C_AB42_14 1 0.000000e+00 1.705876e-06 ; 2.945488e-01 -1.705876e-06 4.570363e-01 1.135153e-01 0.000485 0.000060 True native_MD 6 110 132 C_AB42_12 O_AB42_14 1 9.331468e-04 1.693645e-06 ; 3.492572e-01 1.285338e-01 8.275648e-02 6.410285e-02 0.000485 0.002166 True native_MD 7 110 133 C_AB42_12 N_AB42_15 1 1.069046e-03 1.766521e-06 ; 3.438379e-01 1.617387e-01 4.587607e-01 1.315540e-01 0.000485 0.002166 True native_MD 7 110 134 C_AB42_12 CA_AB42_15 1 3.217128e-03 1.766138e-05 ; 4.200097e-01 1.465049e-01 4.767234e-01 1.332996e-01 0.000485 0.001339 True native_MD 7 110 136 - C_AB42_12 CB_AB42_15 1 0.000000e+00 4.404026e-06 ; 3.187737e-01 -4.404026e-06 4.000873e-01 9.539095e-02 0.000485 0.000060 True native_MD 7 110 137 - C_AB42_12 CG_AB42_15 1 0.000000e+00 4.932035e-06 ; 3.217959e-01 -4.932035e-06 2.958376e-01 7.450285e-02 0.000485 0.000060 True native_MD 7 110 138 + C_AB42_12 CB_AB42_15 1 0.000000e+00 4.403952e-06 ; 3.187733e-01 -4.403952e-06 4.000873e-01 9.539095e-02 0.000485 0.000060 True native_MD 7 110 137 + C_AB42_12 CG_AB42_15 1 0.000000e+00 4.931953e-06 ; 3.217955e-01 -4.931953e-06 2.958376e-01 7.450285e-02 0.000485 0.000060 True native_MD 7 110 138 C_AB42_12 CD_AB42_15 1 2.909844e-03 1.125036e-05 ; 3.961711e-01 1.881539e-01 1.358494e-01 1.767095e-02 0.000485 0.002166 True native_MD 7 110 139 C_AB42_12 OE1_AB42_15 1 1.308116e-03 2.292448e-06 ; 3.472233e-01 1.866091e-01 5.775443e-02 7.868203e-03 0.000485 0.002166 True native_MD 7 110 140 C_AB42_12 NE2_AB42_15 1 1.115284e-03 1.874842e-06 ; 3.448232e-01 1.658618e-01 8.105336e-02 2.054511e-02 0.000485 0.002166 True native_MD 7 110 141 @@ -26787,38 +26787,38 @@ CG2_AB42_12 O2_AB42_42 1 0.000000e+00 1.215671e-06 ; 2.863494e-01 -1.215671 C_AB42_12 O_AB42_15 1 9.088934e-04 1.073789e-06 ; 3.251379e-01 1.923300e-01 1.193885e-01 1.370567e-02 0.000485 0.002166 True native_MD 7 110 143 C_AB42_12 N_AB42_16 1 1.435535e-03 3.564767e-06 ; 3.679902e-01 1.445229e-01 4.051694e-02 1.944924e-02 0.000485 0.002166 True native_MD 7 110 144 C_AB42_12 CA_AB42_16 1 3.307664e-03 2.251508e-05 ; 4.353368e-01 1.214812e-01 5.256282e-02 3.107885e-02 0.000485 0.001339 True native_MD 7 110 146 - C_AB42_12 CB_AB42_16 1 0.000000e+00 6.328533e-06 ; 3.285516e-01 -6.328533e-06 3.852813e-02 3.767123e-02 0.000485 0.000060 True native_MD 7 110 147 - C_AB42_12 CG_AB42_16 1 0.000000e+00 6.332243e-06 ; 3.285676e-01 -6.332243e-06 4.069245e-02 4.042118e-02 0.000485 0.000060 True native_MD 7 110 148 - C_AB42_12 CD_AB42_16 1 0.000000e+00 6.336404e-06 ; 3.285856e-01 -6.336404e-06 3.183482e-02 3.222058e-02 0.000485 0.000060 True native_MD 7 110 149 - C_AB42_12 CE_AB42_16 1 0.000000e+00 6.297497e-06 ; 3.284170e-01 -6.297497e-06 3.150846e-02 2.575159e-02 0.000485 0.000060 True native_MD 7 110 150 + C_AB42_12 CB_AB42_16 1 0.000000e+00 6.328427e-06 ; 3.285511e-01 -6.328427e-06 3.852813e-02 3.767123e-02 0.000485 0.000060 True native_MD 7 110 147 + C_AB42_12 CG_AB42_16 1 0.000000e+00 6.332137e-06 ; 3.285672e-01 -6.332137e-06 4.069245e-02 4.042118e-02 0.000485 0.000060 True native_MD 7 110 148 + C_AB42_12 CD_AB42_16 1 0.000000e+00 6.336298e-06 ; 3.285852e-01 -6.336298e-06 3.183482e-02 3.222058e-02 0.000485 0.000060 True native_MD 7 110 149 + C_AB42_12 CE_AB42_16 1 0.000000e+00 6.297392e-06 ; 3.284166e-01 -6.297392e-06 3.150846e-02 2.575159e-02 0.000485 0.000060 True native_MD 7 110 150 C_AB42_12 NZ_AB42_16 1 9.392007e-04 1.651209e-06 ; 3.474086e-01 1.335534e-01 1.265987e-02 8.438440e-03 0.000485 0.002166 True native_MD 7 110 151 C_AB42_12 C_AB42_16 1 3.290609e-03 1.714285e-05 ; 4.163588e-01 1.579100e-01 6.735764e-03 6.197092e-04 0.000485 0.002166 True native_MD 7 110 152 C_AB42_12 O_AB42_16 1 8.398365e-04 1.173336e-06 ; 3.343525e-01 1.502821e-01 5.723379e-03 2.312453e-03 0.000485 0.002166 True native_MD 7 110 153 C_AB42_12 N_AB42_17 1 1.431146e-03 3.208470e-06 ; 3.617726e-01 1.595916e-01 7.083418e-03 2.395897e-04 0.000485 0.002166 True native_MD 7 110 154 C_AB42_12 CA_AB42_17 1 3.955927e-03 2.329179e-05 ; 4.249382e-01 1.679708e-01 9.102138e-03 7.499227e-04 0.000485 0.001339 True native_MD 7 110 156 - C_AB42_12 CB_AB42_17 1 0.000000e+00 6.274557e-06 ; 3.283172e-01 -6.274557e-06 1.088908e-02 1.510388e-03 0.000485 0.000060 True native_MD 7 110 157 + C_AB42_12 CB_AB42_17 1 0.000000e+00 6.274451e-06 ; 3.283167e-01 -6.274451e-06 1.088908e-02 1.510388e-03 0.000485 0.000060 True native_MD 7 110 157 C_AB42_12 CG_AB42_17 1 2.471895e-03 1.959425e-05 ; 4.465291e-01 7.795989e-02 4.242982e-02 4.115784e-03 0.000485 0.000060 True native_MD 7 110 158 - C_AB42_12 CD1_AB42_17 1 0.000000e+00 4.627695e-06 ; 3.200924e-01 -4.627695e-06 2.733199e-02 6.507127e-03 0.000485 0.000060 True native_MD 7 110 159 + C_AB42_12 CD1_AB42_17 1 0.000000e+00 4.627634e-06 ; 3.200921e-01 -4.627634e-06 2.733199e-02 6.507127e-03 0.000485 0.000060 True native_MD 7 110 159 C_AB42_12 CD2_AB42_17 1 1.077141e-03 3.989256e-06 ; 3.933416e-01 7.270990e-02 3.144743e-02 3.569430e-03 0.000485 0.000060 True native_MD 7 110 160 C_AB42_12 C_AB42_17 1 2.551320e-03 1.353091e-05 ; 4.175999e-01 1.202660e-01 2.183437e-03 7.138474e-05 0.000485 0.002166 True native_MD 7 110 161 C_AB42_12 O_AB42_17 1 4.061785e-04 5.330481e-07 ; 3.308833e-01 7.737621e-02 6.049456e-04 6.992610e-04 0.000485 0.002166 True native_MD 7 110 162 C_AB42_12 N_AB42_18 1 1.350349e-03 3.387422e-06 ; 3.686129e-01 1.345745e-01 3.350455e-03 2.765473e-05 0.000485 0.002166 True native_MD 7 110 163 C_AB42_12 CA_AB42_18 1 4.905852e-03 3.984194e-05 ; 4.483368e-01 1.510179e-01 5.480400e-03 6.144273e-04 0.000485 0.001339 True native_MD 7 110 165 - C_AB42_12 CB_AB42_18 1 0.000000e+00 1.295210e-05 ; 3.487573e-01 -1.295210e-05 1.101934e-02 3.375500e-03 0.000485 0.000060 True native_MD 7 110 166 - C_AB42_12 CG1_AB42_18 1 0.000000e+00 4.706113e-06 ; 3.205410e-01 -4.706113e-06 7.301493e-03 3.069182e-03 0.000485 0.000060 True native_MD 7 110 167 - C_AB42_12 CG2_AB42_18 1 0.000000e+00 4.704442e-06 ; 3.205315e-01 -4.704442e-06 9.247170e-03 4.661328e-03 0.000485 0.000060 True native_MD 7 110 168 + C_AB42_12 CB_AB42_18 1 0.000000e+00 1.295203e-05 ; 3.487572e-01 -1.295203e-05 1.101934e-02 3.375500e-03 0.000485 0.000060 True native_MD 7 110 166 + C_AB42_12 CG1_AB42_18 1 0.000000e+00 4.706052e-06 ; 3.205406e-01 -4.706052e-06 7.301493e-03 3.069182e-03 0.000485 0.000060 True native_MD 7 110 167 + C_AB42_12 CG2_AB42_18 1 0.000000e+00 4.704381e-06 ; 3.205311e-01 -4.704381e-06 9.247170e-03 4.661328e-03 0.000485 0.000060 True native_MD 7 110 168 C_AB42_12 C_AB42_18 1 1.308403e-03 5.174378e-06 ; 3.976669e-01 8.271130e-02 7.096672e-04 3.654463e-05 0.000485 0.002166 True native_MD 7 110 169 C_AB42_12 O_AB42_18 1 3.453859e-04 3.390842e-07 ; 3.152588e-01 8.795115e-02 8.301476e-04 2.373342e-05 0.000485 0.002166 True native_MD 7 110 170 C_AB42_12 N_AB42_19 1 6.765078e-04 1.461421e-06 ; 3.595427e-01 7.829070e-02 6.217297e-04 1.439435e-07 0.000485 0.002166 True native_MD 7 110 171 C_AB42_12 CA_AB42_19 1 3.615669e-03 2.751912e-05 ; 4.435143e-01 1.187634e-01 2.087432e-03 4.228299e-04 0.000485 0.001339 True native_MD 7 110 173 - C_AB42_12 CB_AB42_19 1 0.000000e+00 6.303515e-06 ; 3.284432e-01 -6.303515e-06 6.160349e-03 1.353480e-03 0.000485 0.000060 True native_MD 7 110 174 + C_AB42_12 CB_AB42_19 1 0.000000e+00 6.303409e-06 ; 3.284427e-01 -6.303409e-06 6.160349e-03 1.353480e-03 0.000485 0.000060 True native_MD 7 110 174 C_AB42_12 CG_AB42_19 1 2.180504e-03 8.797105e-06 ; 3.989917e-01 1.351182e-01 3.405414e-03 7.401116e-04 0.000485 0.003309 True native_MD 7 110 175 C_AB42_12 CD1_AB42_19 1 1.448602e-03 3.617589e-06 ; 3.683367e-01 1.450170e-01 4.579530e-03 1.970254e-03 0.000485 0.003309 True native_MD 7 110 176 C_AB42_12 CD2_AB42_19 1 1.448602e-03 3.617589e-06 ; 3.683367e-01 1.450170e-01 4.579530e-03 1.970254e-03 0.000485 0.003309 True native_MD 7 110 177 C_AB42_12 CE1_AB42_19 1 9.882420e-04 1.771141e-06 ; 3.485231e-01 1.378522e-01 6.177656e-03 5.531764e-03 0.000485 0.003309 True native_MD 7 110 178 C_AB42_12 CE2_AB42_19 1 9.882420e-04 1.771141e-06 ; 3.485231e-01 1.378522e-01 6.177656e-03 5.531764e-03 0.000485 0.003309 True native_MD 7 110 179 C_AB42_12 CZ_AB42_19 1 1.349040e-03 3.385168e-06 ; 3.686316e-01 1.344031e-01 6.605703e-03 6.558213e-03 0.000485 0.003309 True native_MD 7 110 180 - C_AB42_12 CB_AB42_20 1 0.000000e+00 6.327053e-06 ; 3.285452e-01 -6.327053e-06 1.649312e-03 5.587249e-04 0.000485 0.000060 True native_MD 7 110 186 + C_AB42_12 CB_AB42_20 1 0.000000e+00 6.326947e-06 ; 3.285447e-01 -6.326947e-06 1.649312e-03 5.587249e-04 0.000485 0.000060 True native_MD 7 110 186 C_AB42_12 CG_AB42_20 1 1.653153e-03 7.190678e-06 ; 4.040261e-01 9.501592e-02 1.025590e-03 3.306350e-04 0.000485 0.003309 True native_MD 7 110 187 C_AB42_12 CD1_AB42_20 1 1.613929e-03 4.900281e-06 ; 3.805305e-01 1.328887e-01 3.185613e-03 1.229603e-03 0.000485 0.003309 True native_MD 7 110 188 C_AB42_12 CD2_AB42_20 1 1.613929e-03 4.900281e-06 ; 3.805305e-01 1.328887e-01 3.185613e-03 1.229603e-03 0.000485 0.003309 True native_MD 7 110 189 @@ -26826,27 +26826,27 @@ CG2_AB42_12 O2_AB42_42 1 0.000000e+00 1.215671e-06 ; 2.863494e-01 -1.215671 C_AB42_12 CE2_AB42_20 1 1.130311e-03 2.226724e-06 ; 3.540610e-01 1.434399e-01 4.368410e-03 2.398595e-03 0.000485 0.003309 True native_MD 7 110 191 C_AB42_12 CZ_AB42_20 1 1.097719e-03 2.339961e-06 ; 3.587453e-01 1.287401e-01 3.820485e-03 4.493507e-03 0.000485 0.003309 True native_MD 7 110 192 C_AB42_12 CA_AB42_21 1 2.782897e-03 2.215819e-05 ; 4.468614e-01 8.737755e-02 8.160192e-04 4.914529e-04 0.000485 0.001339 True native_MD 7 110 197 - C_AB42_12 CB_AB42_21 1 0.000000e+00 4.722050e-06 ; 3.206313e-01 -4.722050e-06 1.400509e-03 5.402481e-04 0.000485 0.000060 True native_MD 7 110 198 - C_AB42_12 CB_AB42_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 110 204 - C_AB42_12 CG_AB42_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 110 205 - C_AB42_12 CB_AB42_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 110 214 + C_AB42_12 CB_AB42_21 1 0.000000e+00 4.721988e-06 ; 3.206309e-01 -4.721988e-06 1.400509e-03 5.402481e-04 0.000485 0.000060 True native_MD 7 110 198 + C_AB42_12 CB_AB42_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 110 204 + C_AB42_12 CG_AB42_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 110 205 + C_AB42_12 CB_AB42_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 110 214 C_AB42_12 CA_AB42_24 1 2.809959e-03 2.267483e-05 ; 4.478583e-01 8.705544e-02 8.081911e-04 5.001382e-05 0.000485 0.001339 True native_MD 7 110 222 - C_AB42_12 CB_AB42_24 1 0.000000e+00 1.303470e-05 ; 3.489421e-01 -1.303470e-05 1.704534e-03 3.894404e-04 0.000485 0.000060 True native_MD 7 110 223 + C_AB42_12 CB_AB42_24 1 0.000000e+00 1.303463e-05 ; 3.489420e-01 -1.303463e-05 1.704534e-03 3.894404e-04 0.000485 0.000060 True native_MD 7 110 223 C_AB42_12 CG1_AB42_24 1 9.958043e-04 3.411826e-06 ; 3.882715e-01 7.266095e-02 1.713933e-03 1.948246e-04 0.000485 0.000060 True native_MD 7 110 224 - C_AB42_12 CG2_AB42_24 1 0.000000e+00 4.722400e-06 ; 3.206333e-01 -4.722400e-06 1.233634e-03 4.474725e-04 0.000485 0.000060 True native_MD 7 110 225 + C_AB42_12 CG2_AB42_24 1 0.000000e+00 4.722338e-06 ; 3.206329e-01 -4.722338e-06 1.233634e-03 4.474725e-04 0.000485 0.000060 True native_MD 7 110 225 C_AB42_12 N_AB42_25 1 5.251500e-04 8.165090e-07 ; 3.403661e-01 8.443953e-02 7.473361e-04 7.196695e-06 0.000485 0.002166 True native_MD 7 110 228 C_AB42_12 CA_AB42_25 1 1.319329e-03 4.056146e-06 ; 3.813234e-01 1.072834e-01 1.480507e-03 3.105089e-04 0.000485 0.001584 True native_MD 7 110 230 C_AB42_12 C_AB42_25 1 1.588357e-03 7.949395e-06 ; 4.135846e-01 7.934178e-02 6.415968e-04 4.940032e-05 0.000485 0.002166 True native_MD 7 110 231 C_AB42_12 CA_AB42_26 1 3.353318e-03 3.205063e-05 ; 4.606739e-01 8.771078e-02 8.241974e-04 2.522362e-04 0.000485 0.001339 True native_MD 7 110 235 - C_AB42_12 CB_AB42_26 1 0.000000e+00 6.331723e-06 ; 3.285654e-01 -6.331723e-06 6.533932e-04 3.000485e-04 0.000485 0.000060 True native_MD 7 110 236 + C_AB42_12 CB_AB42_26 1 0.000000e+00 6.331617e-06 ; 3.285649e-01 -6.331617e-06 6.533932e-04 3.000485e-04 0.000485 0.000060 True native_MD 7 110 236 C_AB42_12 OG_AB42_26 1 5.011498e-04 8.478237e-07 ; 3.451885e-01 7.405760e-02 5.477538e-04 2.664724e-04 0.000485 0.002166 True native_MD 7 110 237 C_AB42_12 CA_AB42_27 1 9.590013e-04 3.159383e-06 ; 3.857422e-01 7.277399e-02 5.271118e-04 0.000000e+00 0.000485 0.001339 True native_MD 7 110 242 - C_AB42_12 CB_AB42_27 1 0.000000e+00 6.330321e-06 ; 3.285593e-01 -6.330321e-06 7.179714e-04 1.432616e-04 0.000485 0.000060 True native_MD 7 110 243 + C_AB42_12 CB_AB42_27 1 0.000000e+00 6.330215e-06 ; 3.285589e-01 -6.330215e-06 7.179714e-04 1.432616e-04 0.000485 0.000060 True native_MD 7 110 243 C_AB42_12 CG_AB42_27 1 7.182285e-04 1.546848e-06 ; 3.593609e-01 8.337148e-02 7.238271e-04 4.966631e-05 0.000485 0.002166 True native_MD 7 110 244 C_AB42_12 ND2_AB42_27 1 7.080295e-04 1.339861e-06 ; 3.516965e-01 9.353689e-02 9.811857e-04 4.753236e-04 0.000485 0.002166 True native_MD 7 110 246 C_AB42_12 CA_AB42_28 1 1.719049e-03 1.051092e-05 ; 4.276207e-01 7.028716e-02 4.893080e-04 9.072559e-06 0.000485 0.001339 True native_MD 7 110 251 - C_AB42_12 CB_AB42_28 1 0.000000e+00 6.330602e-06 ; 3.285606e-01 -6.330602e-06 6.303313e-04 1.000127e-04 0.000485 0.000060 True native_MD 7 110 252 - C_AB42_12 CG_AB42_28 1 0.000000e+00 6.328858e-06 ; 3.285530e-01 -6.328858e-06 9.274386e-04 1.217395e-04 0.000485 0.000060 True native_MD 7 110 253 + C_AB42_12 CB_AB42_28 1 0.000000e+00 6.330496e-06 ; 3.285601e-01 -6.330496e-06 6.303313e-04 1.000127e-04 0.000485 0.000060 True native_MD 7 110 252 + C_AB42_12 CG_AB42_28 1 0.000000e+00 6.328752e-06 ; 3.285525e-01 -6.328752e-06 9.274386e-04 1.217395e-04 0.000485 0.000060 True native_MD 7 110 253 C_AB42_12 CD_AB42_28 1 1.777662e-03 9.581023e-06 ; 4.187233e-01 8.245681e-02 1.069890e-03 9.071426e-05 0.000485 0.000060 True native_MD 7 110 254 C_AB42_12 CE_AB42_28 1 1.040790e-03 2.795759e-06 ; 3.728402e-01 9.686495e-02 1.480735e-03 8.157479e-05 0.000485 0.000060 True native_MD 7 110 255 C_AB42_12 NZ_AB42_28 1 5.175806e-04 7.600113e-07 ; 3.371375e-01 8.812030e-02 8.343604e-04 1.362619e-04 0.000485 0.002166 True native_MD 7 110 256 @@ -26920,17 +26920,17 @@ CG2_AB42_12 O2_AB42_42 1 0.000000e+00 1.215671e-06 ; 2.863494e-01 -1.215671 C_AB42_12 CB_AB42_42 1 9.998725e-04 2.629736e-06 ; 3.715306e-01 9.504233e-02 5.155850e-03 2.999624e-04 0.000485 0.000060 True native_MD 7 110 357 O_AB42_12 O_AB42_12 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 111 O_AB42_12 H_AB42_13 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 113 - O_AB42_12 CB_AB42_13 1 0.000000e+00 2.015627e-06 ; 2.986729e-01 -2.015627e-06 1.000000e+00 9.999854e-01 0.000485 0.000060 True native_MD 4 111 115 - O_AB42_12 CG_AB42_13 1 0.000000e+00 1.006014e-06 ; 2.818677e-01 -1.006014e-06 2.477430e-01 4.642890e-01 0.000485 0.000060 True native_MD 5 111 116 - O_AB42_12 ND1_AB42_13 1 0.000000e+00 6.993482e-07 ; 2.734552e-01 -6.993482e-07 1.016266e-01 2.123928e-01 0.000485 0.000060 True native_MD 6 111 117 - O_AB42_12 CD2_AB42_13 1 0.000000e+00 9.235974e-07 ; 2.798671e-01 -9.235974e-07 1.205583e-01 2.374401e-01 0.000485 0.000060 True native_MD 6 111 118 + O_AB42_12 CB_AB42_13 1 0.000000e+00 2.015619e-06 ; 2.986728e-01 -2.015619e-06 1.000000e+00 9.999854e-01 0.000485 0.000060 True native_MD 4 111 115 + O_AB42_12 CG_AB42_13 1 0.000000e+00 1.006009e-06 ; 2.818676e-01 -1.006009e-06 2.477430e-01 4.642890e-01 0.000485 0.000060 True native_MD 5 111 116 + O_AB42_12 ND1_AB42_13 1 0.000000e+00 6.993446e-07 ; 2.734550e-01 -6.993446e-07 1.016266e-01 2.123928e-01 0.000485 0.000060 True native_MD 6 111 117 + O_AB42_12 CD2_AB42_13 1 0.000000e+00 9.235932e-07 ; 2.798670e-01 -9.235932e-07 1.205583e-01 2.374401e-01 0.000485 0.000060 True native_MD 6 111 118 O_AB42_12 CE1_AB42_13 1 8.352711e-04 1.727873e-06 ; 3.569555e-01 1.009446e-01 2.425196e-02 6.553528e-02 0.000485 0.003309 True native_MD 7 111 119 O_AB42_12 NE2_AB42_13 1 4.945065e-04 7.826713e-07 ; 3.413772e-01 7.810963e-02 1.243834e-02 4.357051e-02 0.000485 0.002166 True native_MD 7 111 120 - O_AB42_12 C_AB42_13 1 0.000000e+00 8.220261e-07 ; 2.771631e-01 -8.220261e-07 9.999361e-01 9.939904e-01 0.000485 0.000060 True native_MD 4 111 121 + O_AB42_12 C_AB42_13 1 0.000000e+00 8.220223e-07 ; 2.771630e-01 -8.220223e-07 9.999361e-01 9.939904e-01 0.000485 0.000060 True native_MD 4 111 121 O_AB42_12 O_AB42_13 1 0.000000e+00 1.288261e-06 ; 2.877367e-01 -1.288261e-06 9.027606e-01 7.616014e-01 0.000485 0.000060 True native_MD 5 111 122 O_AB42_12 N_AB42_14 1 0.000000e+00 1.372849e-06 ; 2.892657e-01 -1.372849e-06 9.543166e-01 8.695490e-01 0.000485 0.000060 True native_MD 5 111 123 - O_AB42_12 H_AB42_14 1 0.000000e+00 1.239936e-08 ; 1.954092e-01 -1.239936e-08 3.592060e-01 1.583296e-01 0.000485 0.000060 True native_MD 6 111 124 - O_AB42_12 CA_AB42_14 1 0.000000e+00 2.830220e-06 ; 3.072416e-01 -2.830220e-06 7.798609e-01 4.612679e-01 0.000485 0.000060 True native_MD 6 111 125 + O_AB42_12 H_AB42_14 1 0.000000e+00 1.239956e-08 ; 1.954094e-01 -1.239956e-08 3.592060e-01 1.583296e-01 0.000485 0.000060 True native_MD 6 111 124 + O_AB42_12 CA_AB42_14 1 0.000000e+00 2.830243e-06 ; 3.072418e-01 -2.830243e-06 7.798609e-01 4.612679e-01 0.000485 0.000060 True native_MD 6 111 125 O_AB42_12 CB_AB42_14 1 9.654529e-04 2.524196e-06 ; 3.711636e-01 9.231647e-02 7.810833e-02 9.830090e-02 0.000485 0.001191 True native_MD 7 111 126 O_AB42_12 CG_AB42_14 1 5.323825e-04 7.370865e-07 ; 3.338483e-01 9.613225e-02 4.471110e-02 9.132785e-02 0.000485 0.002166 True native_MD 7 111 127 O_AB42_12 ND1_AB42_14 1 2.262138e-04 1.463690e-07 ; 2.940955e-01 8.740355e-02 3.654540e-02 9.693331e-02 0.000485 0.002166 True native_MD 7 111 128 @@ -27145,51 +27145,51 @@ CG2_AB42_12 O2_AB42_42 1 0.000000e+00 1.215671e-06 ; 2.863494e-01 -1.215671 O_AB42_12 CB_AB42_42 1 6.446456e-04 6.923118e-07 ; 3.200099e-01 1.500653e-01 5.326380e-03 2.920486e-04 0.000485 0.001191 True native_MD 7 111 357 O_AB42_12 O1_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 359 O_AB42_12 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 360 - N_AB42_13 CB_AB42_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 115 - N_AB42_13 ND1_AB42_13 1 0.000000e+00 1.025243e-06 ; 2.823128e-01 -1.025243e-06 9.526421e-01 8.455098e-01 0.000485 0.000060 True native_MD 4 112 117 - N_AB42_13 CD2_AB42_13 1 0.000000e+00 1.585227e-06 ; 2.927539e-01 -1.585227e-06 8.281636e-01 8.792715e-01 0.000485 0.000060 True native_MD 4 112 118 - N_AB42_13 CE1_AB42_13 1 0.000000e+00 1.174164e-06 ; 2.855217e-01 -1.174164e-06 6.552717e-01 4.338184e-01 0.000485 0.000060 True native_MD 5 112 119 - N_AB42_13 NE2_AB42_13 1 0.000000e+00 1.069365e-06 ; 2.833058e-01 -1.069365e-06 4.000081e-01 3.313010e-01 0.000485 0.000060 True native_MD 5 112 120 - N_AB42_13 CA_AB42_14 1 0.000000e+00 7.574792e-06 ; 3.335103e-01 -7.574792e-06 9.999978e-01 9.999710e-01 0.000485 0.000060 True native_MD 4 112 125 - N_AB42_13 CB_AB42_14 1 0.000000e+00 2.973861e-06 ; 3.085118e-01 -2.973861e-06 6.128295e-01 4.218054e-01 0.000485 0.000060 True native_MD 5 112 126 - N_AB42_13 CG_AB42_14 1 0.000000e+00 1.537169e-06 ; 2.920038e-01 -1.537169e-06 4.087499e-02 6.011743e-02 0.000485 0.000060 True native_MD 6 112 127 + N_AB42_13 CB_AB42_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 115 + N_AB42_13 ND1_AB42_13 1 0.000000e+00 1.025227e-06 ; 2.823124e-01 -1.025227e-06 9.526421e-01 8.455098e-01 0.000485 0.000060 True native_MD 4 112 117 + N_AB42_13 CD2_AB42_13 1 0.000000e+00 1.585205e-06 ; 2.927535e-01 -1.585205e-06 8.281636e-01 8.792715e-01 0.000485 0.000060 True native_MD 4 112 118 + N_AB42_13 CE1_AB42_13 1 0.000000e+00 1.174148e-06 ; 2.855213e-01 -1.174148e-06 6.552717e-01 4.338184e-01 0.000485 0.000060 True native_MD 5 112 119 + N_AB42_13 NE2_AB42_13 1 0.000000e+00 1.069349e-06 ; 2.833055e-01 -1.069349e-06 4.000081e-01 3.313010e-01 0.000485 0.000060 True native_MD 5 112 120 + N_AB42_13 CA_AB42_14 1 0.000000e+00 7.574780e-06 ; 3.335102e-01 -7.574780e-06 9.999978e-01 9.999710e-01 0.000485 0.000060 True native_MD 4 112 125 + N_AB42_13 CB_AB42_14 1 0.000000e+00 2.973822e-06 ; 3.085114e-01 -2.973822e-06 6.128295e-01 4.218054e-01 0.000485 0.000060 True native_MD 5 112 126 + N_AB42_13 CG_AB42_14 1 0.000000e+00 1.537148e-06 ; 2.920034e-01 -1.537148e-06 4.087499e-02 6.011743e-02 0.000485 0.000060 True native_MD 6 112 127 N_AB42_13 ND1_AB42_14 1 5.598782e-04 7.199026e-07 ; 3.297590e-01 1.088562e-01 5.684863e-02 7.934903e-02 0.000485 0.002166 True native_MD 7 112 128 N_AB42_13 CD2_AB42_14 1 1.495338e-03 4.184064e-06 ; 3.753846e-01 1.336043e-01 8.344006e-02 8.484564e-02 0.000485 0.003309 True native_MD 7 112 129 N_AB42_13 CE1_AB42_14 1 1.539610e-03 4.080083e-06 ; 3.720001e-01 1.452420e-01 2.497028e-02 1.792367e-02 0.000485 0.003309 True native_MD 7 112 130 N_AB42_13 NE2_AB42_14 1 1.298475e-03 3.533197e-06 ; 3.736420e-01 1.192996e-01 9.742911e-03 9.949033e-03 0.000485 0.002166 True native_MD 7 112 131 - N_AB42_13 C_AB42_14 1 0.000000e+00 1.312319e-06 ; 2.881807e-01 -1.312319e-06 2.151773e-01 8.532955e-02 0.000485 0.000060 True native_MD 5 112 132 + N_AB42_13 C_AB42_14 1 0.000000e+00 1.312301e-06 ; 2.881804e-01 -1.312301e-06 2.151773e-01 8.532955e-02 0.000485 0.000060 True native_MD 5 112 132 N_AB42_13 O_AB42_14 1 0.000000e+00 1.495139e-06 ; 2.913299e-01 -1.495139e-06 1.259115e-01 1.226707e-01 0.000485 0.000060 True native_MD 6 112 133 - N_AB42_13 N_AB42_15 1 0.000000e+00 6.735638e-07 ; 2.726004e-01 -6.735638e-07 3.102212e-01 7.974983e-02 0.000485 0.000060 True native_MD 6 112 134 + N_AB42_13 N_AB42_15 1 0.000000e+00 6.735567e-07 ; 2.726002e-01 -6.735567e-07 3.102212e-01 7.974983e-02 0.000485 0.000060 True native_MD 6 112 134 N_AB42_13 CA_AB42_15 1 6.512514e-03 6.626684e-05 ; 4.655053e-01 1.600078e-01 1.773370e-01 3.310358e-02 0.000485 0.001339 True native_MD 7 112 136 - N_AB42_13 CB_AB42_15 1 0.000000e+00 3.579664e-06 ; 3.133155e-01 -3.579664e-06 3.637316e-02 1.014482e-02 0.000485 0.000060 True native_MD 7 112 137 - N_AB42_13 CG_AB42_15 1 0.000000e+00 3.591432e-06 ; 3.134012e-01 -3.591432e-06 4.151413e-02 1.848705e-02 0.000485 0.000060 True native_MD 7 112 138 + N_AB42_13 CB_AB42_15 1 0.000000e+00 3.579617e-06 ; 3.133151e-01 -3.579617e-06 3.637316e-02 1.014482e-02 0.000485 0.000060 True native_MD 7 112 137 + N_AB42_13 CG_AB42_15 1 0.000000e+00 3.591385e-06 ; 3.134008e-01 -3.591385e-06 4.151413e-02 1.848705e-02 0.000485 0.000060 True native_MD 7 112 138 N_AB42_13 CD_AB42_15 1 1.072681e-03 2.258489e-06 ; 3.580068e-01 1.273689e-01 2.700563e-03 1.034487e-03 0.000485 0.002166 True native_MD 7 112 139 N_AB42_13 OE1_AB42_15 1 1.528849e-04 4.195714e-08 ; 2.549218e-01 1.392718e-01 3.856133e-03 1.746301e-03 0.000485 0.002166 True native_MD 7 112 140 N_AB42_13 NE2_AB42_15 1 1.181650e-03 2.084693e-06 ; 3.476100e-01 1.674463e-01 1.037240e-02 2.507440e-03 0.000485 0.002166 True native_MD 7 112 141 N_AB42_13 O_AB42_15 1 1.829274e-03 5.088412e-06 ; 3.750167e-01 1.644051e-01 3.298395e-02 8.733291e-03 0.000485 0.002166 True native_MD 7 112 143 - N_AB42_13 N_AB42_16 1 0.000000e+00 8.743671e-07 ; 2.785925e-01 -8.743671e-07 1.824539e-03 7.655929e-04 0.000485 0.000060 True native_MD 7 112 144 + N_AB42_13 N_AB42_16 1 0.000000e+00 8.743579e-07 ; 2.785923e-01 -8.743579e-07 1.824539e-03 7.655929e-04 0.000485 0.000060 True native_MD 7 112 144 N_AB42_13 CA_AB42_16 1 4.981144e-03 4.804228e-05 ; 4.613697e-01 1.291144e-01 1.082172e-02 5.091935e-03 0.000485 0.001339 True native_MD 7 112 146 - N_AB42_13 CB_AB42_16 1 0.000000e+00 3.693522e-06 ; 3.141341e-01 -3.693522e-06 1.139601e-02 1.614022e-02 0.000485 0.000060 True native_MD 7 112 147 - N_AB42_13 CG_AB42_16 1 0.000000e+00 3.680530e-06 ; 3.140419e-01 -3.680530e-06 1.505517e-02 1.626516e-02 0.000485 0.000060 True native_MD 7 112 148 - N_AB42_13 CD_AB42_16 1 0.000000e+00 3.692059e-06 ; 3.141237e-01 -3.692059e-06 9.969765e-03 1.431604e-02 0.000485 0.000060 True native_MD 7 112 149 - N_AB42_13 CE_AB42_16 1 0.000000e+00 3.674743e-06 ; 3.140007e-01 -3.674743e-06 1.217309e-02 1.180881e-02 0.000485 0.000060 True native_MD 7 112 150 - N_AB42_13 NZ_AB42_16 1 0.000000e+00 8.762474e-07 ; 2.786424e-01 -8.762474e-07 2.276863e-03 3.366044e-03 0.000485 0.000060 True native_MD 7 112 151 + N_AB42_13 CB_AB42_16 1 0.000000e+00 3.693473e-06 ; 3.141337e-01 -3.693473e-06 1.139601e-02 1.614022e-02 0.000485 0.000060 True native_MD 7 112 147 + N_AB42_13 CG_AB42_16 1 0.000000e+00 3.680481e-06 ; 3.140415e-01 -3.680481e-06 1.505517e-02 1.626516e-02 0.000485 0.000060 True native_MD 7 112 148 + N_AB42_13 CD_AB42_16 1 0.000000e+00 3.692010e-06 ; 3.141234e-01 -3.692010e-06 9.969765e-03 1.431604e-02 0.000485 0.000060 True native_MD 7 112 149 + N_AB42_13 CE_AB42_16 1 0.000000e+00 3.674694e-06 ; 3.140003e-01 -3.674694e-06 1.217309e-02 1.180881e-02 0.000485 0.000060 True native_MD 7 112 150 + N_AB42_13 NZ_AB42_16 1 0.000000e+00 8.762382e-07 ; 2.786422e-01 -8.762382e-07 2.276863e-03 3.366044e-03 0.000485 0.000060 True native_MD 7 112 151 N_AB42_13 C_AB42_16 1 1.518217e-03 7.312744e-06 ; 4.109520e-01 7.880023e-02 6.312826e-04 2.319495e-04 0.000485 0.002166 True native_MD 7 112 152 N_AB42_13 O_AB42_16 1 1.167131e-03 2.617311e-06 ; 3.617895e-01 1.301139e-01 6.536427e-03 4.829325e-03 0.000485 0.002166 True native_MD 7 112 153 N_AB42_13 N_AB42_17 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 3.432186e-06 6.242139e-06 0.000485 0.000060 True native_MD 7 112 154 N_AB42_13 CA_AB42_17 1 4.014938e-03 3.829113e-05 ; 4.605073e-01 1.052446e-01 1.392874e-03 6.964516e-04 0.000485 0.001339 True native_MD 7 112 156 - N_AB42_13 CB_AB42_17 1 0.000000e+00 3.681049e-06 ; 3.140455e-01 -3.681049e-06 5.714744e-04 1.922636e-03 0.000485 0.000060 True native_MD 7 112 157 - N_AB42_13 CG_AB42_17 1 0.000000e+00 7.592450e-06 ; 3.335750e-01 -7.592450e-06 2.978561e-03 5.282911e-03 0.000485 0.000060 True native_MD 7 112 158 - N_AB42_13 CD1_AB42_17 1 0.000000e+00 2.753149e-06 ; 3.065355e-01 -2.753149e-06 3.055539e-03 6.782479e-03 0.000485 0.000060 True native_MD 7 112 159 - N_AB42_13 CD2_AB42_17 1 0.000000e+00 2.739047e-06 ; 3.064044e-01 -2.739047e-06 3.780977e-03 2.366656e-03 0.000485 0.000060 True native_MD 7 112 160 + N_AB42_13 CB_AB42_17 1 0.000000e+00 3.681000e-06 ; 3.140452e-01 -3.681000e-06 5.714744e-04 1.922636e-03 0.000485 0.000060 True native_MD 7 112 157 + N_AB42_13 CG_AB42_17 1 0.000000e+00 7.592438e-06 ; 3.335750e-01 -7.592438e-06 2.978561e-03 5.282911e-03 0.000485 0.000060 True native_MD 7 112 158 + N_AB42_13 CD1_AB42_17 1 0.000000e+00 2.753123e-06 ; 3.065353e-01 -2.753123e-06 3.055539e-03 6.782479e-03 0.000485 0.000060 True native_MD 7 112 159 + N_AB42_13 CD2_AB42_17 1 0.000000e+00 2.739021e-06 ; 3.064041e-01 -2.739021e-06 3.780977e-03 2.366656e-03 0.000485 0.000060 True native_MD 7 112 160 N_AB42_13 N_AB42_18 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.541438e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 112 163 N_AB42_13 CA_AB42_18 1 3.409461e-03 3.042542e-05 ; 4.554337e-01 9.551576e-02 1.041046e-03 2.973308e-04 0.000485 0.001339 True native_MD 7 112 165 - N_AB42_13 CB_AB42_18 1 0.000000e+00 7.545916e-06 ; 3.334041e-01 -7.545916e-06 4.928221e-03 1.089450e-03 0.000485 0.000060 True native_MD 7 112 166 - N_AB42_13 CG1_AB42_18 1 0.000000e+00 2.738761e-06 ; 3.064017e-01 -2.738761e-06 3.197793e-03 1.679274e-03 0.000485 0.000060 True native_MD 7 112 167 - N_AB42_13 CG2_AB42_18 1 0.000000e+00 2.735981e-06 ; 3.063758e-01 -2.735981e-06 4.510231e-03 1.978284e-03 0.000485 0.000060 True native_MD 7 112 168 + N_AB42_13 CB_AB42_18 1 0.000000e+00 7.545904e-06 ; 3.334041e-01 -7.545904e-06 4.928221e-03 1.089450e-03 0.000485 0.000060 True native_MD 7 112 166 + N_AB42_13 CG1_AB42_18 1 0.000000e+00 2.738735e-06 ; 3.064015e-01 -2.738735e-06 3.197793e-03 1.679274e-03 0.000485 0.000060 True native_MD 7 112 167 + N_AB42_13 CG2_AB42_18 1 0.000000e+00 2.735955e-06 ; 3.063755e-01 -2.735955e-06 4.510231e-03 1.978284e-03 0.000485 0.000060 True native_MD 7 112 168 N_AB42_13 O_AB42_18 1 4.009726e-04 3.941109e-07 ; 3.153193e-01 1.019885e-01 1.263553e-03 2.639443e-04 0.000485 0.002166 True native_MD 7 112 170 N_AB42_13 N_AB42_19 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.223243e-06 0.000000e+00 0.000485 0.000060 True native_MD 7 112 171 - N_AB42_13 CB_AB42_19 1 0.000000e+00 3.670921e-06 ; 3.139734e-01 -3.670921e-06 2.462334e-03 1.058555e-03 0.000485 0.000060 True native_MD 7 112 174 + N_AB42_13 CB_AB42_19 1 0.000000e+00 3.670873e-06 ; 3.139731e-01 -3.670873e-06 2.462334e-03 1.058555e-03 0.000485 0.000060 True native_MD 7 112 174 N_AB42_13 CG_AB42_19 1 1.311543e-03 4.331902e-06 ; 3.859070e-01 9.927189e-02 1.164896e-03 6.210514e-04 0.000485 0.003309 True native_MD 7 112 175 N_AB42_13 CD1_AB42_19 1 1.074934e-03 2.512940e-06 ; 3.643063e-01 1.149534e-01 1.862493e-03 1.715514e-03 0.000485 0.003309 True native_MD 7 112 176 N_AB42_13 CD2_AB42_19 1 1.074934e-03 2.512940e-06 ; 3.643063e-01 1.149534e-01 1.862493e-03 1.715514e-03 0.000485 0.003309 True native_MD 7 112 177 @@ -27197,38 +27197,38 @@ CG2_AB42_12 O2_AB42_42 1 0.000000e+00 1.215671e-06 ; 2.863494e-01 -1.215671 N_AB42_13 CE2_AB42_19 1 9.816497e-04 2.018212e-06 ; 3.565893e-01 1.193676e-01 2.328238e-03 3.625035e-03 0.000485 0.003309 True native_MD 7 112 179 N_AB42_13 CZ_AB42_19 1 9.934463e-04 2.007959e-06 ; 3.555782e-01 1.228779e-01 2.981175e-03 4.178782e-03 0.000485 0.003309 True native_MD 7 112 180 N_AB42_13 N_AB42_20 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 112 183 - N_AB42_13 CB_AB42_20 1 0.000000e+00 3.674635e-06 ; 3.139999e-01 -3.674635e-06 5.910682e-04 1.974918e-04 0.000485 0.000060 True native_MD 7 112 186 + N_AB42_13 CB_AB42_20 1 0.000000e+00 3.674586e-06 ; 3.139996e-01 -3.674586e-06 5.910682e-04 1.974918e-04 0.000485 0.000060 True native_MD 7 112 186 N_AB42_13 CD1_AB42_20 1 6.610875e-04 1.200064e-06 ; 3.492670e-01 9.104442e-02 9.106624e-04 4.428332e-04 0.000485 0.003309 True native_MD 7 112 188 N_AB42_13 CD2_AB42_20 1 6.610875e-04 1.200064e-06 ; 3.492670e-01 9.104442e-02 9.106624e-04 4.428332e-04 0.000485 0.003309 True native_MD 7 112 189 N_AB42_13 CE1_AB42_20 1 8.954233e-04 1.776332e-06 ; 3.544726e-01 1.128425e-01 1.748476e-03 1.999527e-03 0.000485 0.003309 True native_MD 7 112 190 N_AB42_13 CE2_AB42_20 1 8.954233e-04 1.776332e-06 ; 3.544726e-01 1.128425e-01 1.748476e-03 1.999527e-03 0.000485 0.003309 True native_MD 7 112 191 N_AB42_13 CZ_AB42_20 1 8.347535e-04 1.697456e-06 ; 3.559372e-01 1.026261e-01 1.287897e-03 2.330565e-03 0.000485 0.003309 True native_MD 7 112 192 N_AB42_13 N_AB42_21 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.569531e-06 0.000000e+00 0.000485 0.000060 True native_MD 7 112 195 - N_AB42_13 CB_AB42_21 1 0.000000e+00 2.742843e-06 ; 3.064397e-01 -2.742843e-06 5.007853e-04 4.706163e-04 0.000485 0.000060 True native_MD 7 112 198 + N_AB42_13 CB_AB42_21 1 0.000000e+00 2.742817e-06 ; 3.064395e-01 -2.742817e-06 5.007853e-04 4.706163e-04 0.000485 0.000060 True native_MD 7 112 198 N_AB42_13 N_AB42_22 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 112 201 - N_AB42_13 CB_AB42_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 204 - N_AB42_13 CG_AB42_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 205 + N_AB42_13 CB_AB42_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 204 + N_AB42_13 CG_AB42_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 205 N_AB42_13 N_AB42_23 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 112 211 - N_AB42_13 CB_AB42_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 214 + N_AB42_13 CB_AB42_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 214 N_AB42_13 N_AB42_24 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 112 220 - N_AB42_13 CB_AB42_24 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 223 - N_AB42_13 CG1_AB42_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 224 - N_AB42_13 CG2_AB42_24 1 0.000000e+00 2.741954e-06 ; 3.064315e-01 -2.741954e-06 4.870082e-04 1.325846e-04 0.000485 0.000060 True native_MD 7 112 225 + N_AB42_13 CB_AB42_24 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 223 + N_AB42_13 CG1_AB42_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 224 + N_AB42_13 CG2_AB42_24 1 0.000000e+00 2.741928e-06 ; 3.064312e-01 -2.741928e-06 4.870082e-04 1.325846e-04 0.000485 0.000060 True native_MD 7 112 225 N_AB42_13 N_AB42_25 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 3.329757e-04 3.646599e-05 0.000485 0.000060 True native_MD 7 112 228 N_AB42_13 CA_AB42_25 1 1.697987e-03 7.862573e-06 ; 4.082615e-01 9.167354e-02 9.279700e-04 3.591464e-04 0.000485 0.001584 True native_MD 7 112 230 N_AB42_13 N_AB42_26 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 6.888217e-05 0.000000e+00 0.000485 0.000060 True native_MD 7 112 233 - N_AB42_13 CB_AB42_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 236 + N_AB42_13 CB_AB42_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 236 N_AB42_13 N_AB42_27 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 112 240 - N_AB42_13 CB_AB42_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 243 + N_AB42_13 CB_AB42_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 243 N_AB42_13 ND2_AB42_27 1 8.039845e-04 1.888809e-06 ; 3.646056e-01 8.555538e-02 7.727131e-04 2.945917e-04 0.000485 0.002166 True native_MD 7 112 246 N_AB42_13 N_AB42_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 4.687211e-05 0.000000e+00 0.000485 0.000060 True native_MD 7 112 249 - N_AB42_13 CB_AB42_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 252 - N_AB42_13 CG_AB42_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 253 - N_AB42_13 CD_AB42_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 254 - N_AB42_13 CE_AB42_28 1 0.000000e+00 3.673838e-06 ; 3.139942e-01 -3.673838e-06 7.013065e-04 9.082648e-05 0.000485 0.000060 True native_MD 7 112 255 + N_AB42_13 CB_AB42_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 252 + N_AB42_13 CG_AB42_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 253 + N_AB42_13 CD_AB42_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 254 + N_AB42_13 CE_AB42_28 1 0.000000e+00 3.673789e-06 ; 3.139939e-01 -3.673789e-06 7.013065e-04 9.082648e-05 0.000485 0.000060 True native_MD 7 112 255 N_AB42_13 NZ_AB42_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 4.007568e-04 6.168306e-05 0.000485 0.000060 True native_MD 7 112 256 N_AB42_13 N_AB42_29 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 4.128562e-05 0.000000e+00 0.000485 0.000060 True native_MD 7 112 259 - N_AB42_13 CA_AB42_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 261 + N_AB42_13 CA_AB42_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 261 N_AB42_13 N_AB42_30 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 3.825268e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 112 264 N_AB42_13 CA_AB42_30 1 2.794704e-03 1.258405e-05 ; 4.063630e-01 1.551640e-01 6.204385e-03 9.995228e-05 0.000485 0.001339 True native_MD 7 112 266 N_AB42_13 CB_AB42_30 1 1.166205e-03 3.292275e-06 ; 3.759414e-01 1.032746e-01 4.418710e-03 2.009415e-04 0.000485 0.000060 True native_MD 7 112 267 @@ -27239,7 +27239,7 @@ CG2_AB42_12 O2_AB42_42 1 0.000000e+00 1.215671e-06 ; 2.863494e-01 -1.215671 N_AB42_13 CB_AB42_31 1 2.998739e-03 2.313234e-05 ; 4.445086e-01 9.718470e-02 1.094361e-03 2.365070e-05 0.000485 0.000060 True native_MD 7 112 273 N_AB42_13 CG1_AB42_31 1 1.448550e-03 6.672146e-06 ; 4.079015e-01 7.862151e-02 9.550102e-04 9.082187e-05 0.000485 0.000060 True native_MD 7 112 274 N_AB42_13 CG2_AB42_31 1 7.054634e-04 1.198416e-06 ; 3.454264e-01 1.038201e-01 1.334747e-03 5.002393e-05 0.000485 0.000060 True native_MD 7 112 275 - N_AB42_13 CD_AB42_31 1 0.000000e+00 2.739303e-06 ; 3.064068e-01 -2.739303e-06 1.565309e-03 2.444502e-04 0.000485 0.000060 True native_MD 7 112 276 + N_AB42_13 CD_AB42_31 1 0.000000e+00 2.739277e-06 ; 3.064065e-01 -2.739277e-06 1.565309e-03 2.444502e-04 0.000485 0.000060 True native_MD 7 112 276 N_AB42_13 N_AB42_32 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 112 279 N_AB42_13 CA_AB42_32 1 2.932325e-03 2.611107e-05 ; 4.552697e-01 8.232645e-02 7.015407e-04 0.000000e+00 0.000485 0.001339 True native_MD 7 112 281 N_AB42_13 CB_AB42_32 1 2.191443e-03 1.029766e-05 ; 4.092619e-01 1.165902e-01 1.955994e-03 3.581415e-05 0.000485 0.000060 True native_MD 7 112 282 @@ -27301,7 +27301,7 @@ CG2_AB42_12 O2_AB42_42 1 0.000000e+00 1.215671e-06 ; 2.863494e-01 -1.215671 N_AB42_13 CA_AB42_42 1 2.927701e-03 2.412415e-05 ; 4.494219e-01 8.882629e-02 8.521758e-04 6.224777e-05 0.000485 0.001339 True native_MD 7 112 356 N_AB42_13 CB_AB42_42 1 1.021739e-03 2.694718e-06 ; 3.717025e-01 9.685161e-02 2.235701e-03 1.232156e-04 0.000485 0.000060 True native_MD 7 112 357 H_AB42_13 H_AB42_13 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 113 - H_AB42_13 O_AB42_13 1 0.000000e+00 1.803108e-08 ; 2.016029e-01 -1.803108e-08 1.478489e-01 3.099295e-01 0.000485 0.000060 True native_MD 4 113 122 + H_AB42_13 O_AB42_13 1 0.000000e+00 1.803136e-08 ; 2.016032e-01 -1.803136e-08 1.478489e-01 3.099295e-01 0.000485 0.000060 True native_MD 4 113 122 H_AB42_13 H_AB42_14 1 0.000000e+00 9.769214e-09 ; 1.915652e-01 -9.769214e-09 7.428877e-01 5.569889e-01 0.000485 0.000060 True native_MD 5 113 124 H_AB42_13 O_AB42_14 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 133 H_AB42_13 H_AB42_15 1 0.000000e+00 1.219321e-08 ; 1.951363e-01 -1.219321e-08 1.349777e-03 1.745059e-02 0.000485 0.000060 True native_MD 7 113 135 @@ -27368,18 +27368,18 @@ CG2_AB42_12 O2_AB42_42 1 0.000000e+00 1.215671e-06 ; 2.863494e-01 -1.215671 H_AB42_13 H_AB42_42 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 355 H_AB42_13 O1_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 359 H_AB42_13 O2_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 360 - CA_AB42_13 CE1_AB42_13 1 0.000000e+00 1.305177e-05 ; 3.489802e-01 -1.305177e-05 9.999999e-01 9.999930e-01 0.000485 0.000060 True native_MD 4 114 119 - CA_AB42_13 NE2_AB42_13 1 0.000000e+00 9.937326e-06 ; 3.411412e-01 -9.937326e-06 9.999941e-01 9.999979e-01 0.000485 0.000060 True native_MD 4 114 120 - CA_AB42_13 CB_AB42_14 1 0.000000e+00 3.181365e-05 ; 3.758773e-01 -3.181365e-05 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 114 126 - CA_AB42_13 CG_AB42_14 1 0.000000e+00 1.473281e-05 ; 3.525214e-01 -1.473281e-05 6.384262e-01 7.672159e-01 0.000485 0.000060 True native_MD 5 114 127 - CA_AB42_13 ND1_AB42_14 1 0.000000e+00 1.159539e-05 ; 3.455563e-01 -1.159539e-05 2.974901e-01 4.643469e-01 0.000485 0.000060 True native_MD 6 114 128 - CA_AB42_13 CD2_AB42_14 1 0.000000e+00 1.299344e-05 ; 3.488500e-01 -1.299344e-05 4.875833e-01 4.831068e-01 0.000485 0.000060 True native_MD 6 114 129 + CA_AB42_13 CE1_AB42_13 1 0.000000e+00 1.305171e-05 ; 3.489801e-01 -1.305171e-05 9.999999e-01 9.999930e-01 0.000485 0.000060 True native_MD 4 114 119 + CA_AB42_13 NE2_AB42_13 1 0.000000e+00 9.937269e-06 ; 3.411410e-01 -9.937269e-06 9.999941e-01 9.999979e-01 0.000485 0.000060 True native_MD 4 114 120 + CA_AB42_13 CB_AB42_14 1 0.000000e+00 3.181352e-05 ; 3.758772e-01 -3.181352e-05 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 114 126 + CA_AB42_13 CG_AB42_14 1 0.000000e+00 1.473273e-05 ; 3.525212e-01 -1.473273e-05 6.384262e-01 7.672159e-01 0.000485 0.000060 True native_MD 5 114 127 + CA_AB42_13 ND1_AB42_14 1 0.000000e+00 1.159533e-05 ; 3.455561e-01 -1.159533e-05 2.974901e-01 4.643469e-01 0.000485 0.000060 True native_MD 6 114 128 + CA_AB42_13 CD2_AB42_14 1 0.000000e+00 1.299337e-05 ; 3.488498e-01 -1.299337e-05 4.875833e-01 4.831068e-01 0.000485 0.000060 True native_MD 6 114 129 CA_AB42_13 CE1_AB42_14 1 3.781743e-03 3.585495e-05 ; 4.600548e-01 9.971830e-02 1.399567e-01 2.291117e-01 0.000485 0.001933 True native_MD 7 114 130 CA_AB42_13 NE2_AB42_14 1 3.068000e-03 2.337950e-05 ; 4.436052e-01 1.006504e-01 1.421253e-01 1.567459e-01 0.000485 0.001339 True native_MD 7 114 131 - CA_AB42_13 C_AB42_14 1 0.000000e+00 1.305190e-05 ; 3.489805e-01 -1.305190e-05 9.999975e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 114 132 - CA_AB42_13 O_AB42_14 1 0.000000e+00 4.161683e-06 ; 3.172737e-01 -4.161683e-06 3.682957e-01 3.702672e-01 0.000485 0.000060 True native_MD 5 114 133 - CA_AB42_13 N_AB42_15 1 0.000000e+00 7.341928e-06 ; 3.326436e-01 -7.341928e-06 7.153923e-01 6.846244e-01 0.000485 0.000060 True native_MD 5 114 134 - CA_AB42_13 CA_AB42_15 1 0.000000e+00 6.249697e-05 ; 3.976338e-01 -6.249697e-05 7.176897e-01 6.710307e-01 0.000485 0.000060 True native_MD 6 114 136 + CA_AB42_13 C_AB42_14 1 0.000000e+00 1.305183e-05 ; 3.489803e-01 -1.305183e-05 9.999975e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 114 132 + CA_AB42_13 O_AB42_14 1 0.000000e+00 4.161716e-06 ; 3.172739e-01 -4.161716e-06 3.682957e-01 3.702672e-01 0.000485 0.000060 True native_MD 5 114 133 + CA_AB42_13 N_AB42_15 1 0.000000e+00 7.341917e-06 ; 3.326436e-01 -7.341917e-06 7.153923e-01 6.846244e-01 0.000485 0.000060 True native_MD 5 114 134 + CA_AB42_13 CA_AB42_15 1 0.000000e+00 6.249743e-05 ; 3.976340e-01 -6.249743e-05 7.176897e-01 6.710307e-01 0.000485 0.000060 True native_MD 6 114 136 CA_AB42_13 CB_AB42_15 1 6.801106e-03 1.133392e-04 ; 5.053979e-01 1.020279e-01 3.594107e-01 2.900548e-01 0.000485 0.001021 True native_MD 7 114 137 CA_AB42_13 CG_AB42_15 1 3.675381e-03 3.699074e-05 ; 4.646562e-01 9.129598e-02 2.073376e-01 2.306990e-01 0.000485 0.001021 True native_MD 7 114 138 CA_AB42_13 CD_AB42_15 1 2.773407e-03 1.885340e-05 ; 4.352406e-01 1.019947e-01 3.577928e-02 3.790341e-02 0.000485 0.001339 True native_MD 7 114 139 @@ -27388,8 +27388,8 @@ CG2_AB42_12 O2_AB42_42 1 0.000000e+00 1.215671e-06 ; 2.863494e-01 -1.215671 CA_AB42_13 C_AB42_15 1 5.774246e-03 6.827515e-05 ; 4.773034e-01 1.220866e-01 1.359865e-01 7.896142e-02 0.000485 0.001339 True native_MD 7 114 142 CA_AB42_13 O_AB42_15 1 2.223503e-03 9.390654e-06 ; 4.020466e-01 1.316193e-01 1.421375e-01 6.205025e-02 0.000485 0.001339 True native_MD 7 114 143 CA_AB42_13 N_AB42_16 1 1.556353e-03 7.474520e-06 ; 4.107515e-01 8.101642e-02 7.614202e-02 1.511207e-01 0.000485 0.001339 True native_MD 7 114 144 - CA_AB42_13 CA_AB42_16 1 0.000000e+00 7.289259e-05 ; 4.027652e-01 -7.289259e-05 9.967330e-02 2.115911e-01 0.000485 0.000883 True native_MD 7 114 146 - CA_AB42_13 CB_AB42_16 1 0.000000e+00 3.504112e-05 ; 3.789162e-01 -3.504112e-05 8.571159e-02 1.871608e-01 0.000485 0.001021 True native_MD 7 114 147 + CA_AB42_13 CA_AB42_16 1 0.000000e+00 7.289313e-05 ; 4.027655e-01 -7.289313e-05 9.967330e-02 2.115911e-01 0.000485 0.000883 True native_MD 7 114 146 + CA_AB42_13 CB_AB42_16 1 0.000000e+00 3.504097e-05 ; 3.789161e-01 -3.504097e-05 8.571159e-02 1.871608e-01 0.000485 0.001021 True native_MD 7 114 147 CA_AB42_13 CG_AB42_16 1 1.159045e-03 4.583586e-06 ; 3.976651e-01 7.327157e-02 8.522593e-02 1.626285e-01 0.000485 0.001021 True native_MD 7 114 148 CA_AB42_13 CD_AB42_16 1 1.403606e-03 6.286176e-06 ; 4.059977e-01 7.835086e-02 7.546977e-02 1.237041e-01 0.000485 0.001021 True native_MD 7 114 149 CA_AB42_13 CE_AB42_16 1 1.533615e-03 6.808428e-06 ; 4.054044e-01 8.636265e-02 7.067250e-02 9.114544e-02 0.000485 0.001021 True native_MD 7 114 150 @@ -27398,8 +27398,8 @@ CG2_AB42_12 O2_AB42_42 1 0.000000e+00 1.215671e-06 ; 2.863494e-01 -1.215671 CA_AB42_13 O_AB42_16 1 3.580538e-04 3.616966e-07 ; 3.167617e-01 8.861193e-02 1.616711e-02 2.556349e-02 0.000485 0.001339 True native_MD 7 114 153 CA_AB42_13 N_AB42_17 1 2.221808e-03 1.235725e-05 ; 4.209229e-01 9.986910e-02 1.580984e-02 1.784864e-02 0.000485 0.001339 True native_MD 7 114 154 CA_AB42_13 CA_AB42_17 1 2.521784e-03 2.208489e-05 ; 4.540091e-01 7.198805e-02 2.317148e-02 3.972286e-02 0.000485 0.000883 True native_MD 7 114 156 - CA_AB42_13 CB_AB42_17 1 0.000000e+00 3.259229e-05 ; 3.766355e-01 -3.259229e-05 1.584551e-02 4.032059e-02 0.000485 0.001021 True native_MD 7 114 157 - CA_AB42_13 CG_AB42_17 1 0.000000e+00 6.801784e-05 ; 4.004487e-01 -6.801784e-05 3.568227e-02 7.323966e-02 0.000485 0.000883 True native_MD 7 114 158 + CA_AB42_13 CB_AB42_17 1 0.000000e+00 3.259216e-05 ; 3.766354e-01 -3.259216e-05 1.584551e-02 4.032059e-02 0.000485 0.001021 True native_MD 7 114 157 + CA_AB42_13 CG_AB42_17 1 0.000000e+00 6.801834e-05 ; 4.004490e-01 -6.801834e-05 3.568227e-02 7.323966e-02 0.000485 0.000883 True native_MD 7 114 158 CA_AB42_13 CD1_AB42_17 1 1.864549e-03 9.621938e-06 ; 4.157014e-01 9.032859e-02 2.256473e-02 4.892008e-02 0.000485 0.001932 True native_MD 7 114 159 CA_AB42_13 CD2_AB42_17 1 1.963140e-03 8.338449e-06 ; 4.024288e-01 1.155466e-01 2.146786e-02 2.188242e-02 0.000485 0.001932 True native_MD 7 114 160 CA_AB42_13 C_AB42_17 1 3.564439e-03 2.778808e-05 ; 4.452917e-01 1.143046e-01 3.675909e-03 2.694160e-03 0.000485 0.001339 True native_MD 7 114 161 @@ -27432,9 +27432,9 @@ CG2_AB42_12 O2_AB42_42 1 0.000000e+00 1.215671e-06 ; 2.863494e-01 -1.215671 CA_AB42_13 CZ_AB42_20 1 1.161141e-03 3.478574e-06 ; 3.796814e-01 9.689668e-02 7.358893e-03 1.310804e-02 0.000485 0.001933 True native_MD 7 114 192 CA_AB42_13 C_AB42_20 1 1.963979e-03 1.318816e-05 ; 4.343514e-01 7.311883e-02 5.325797e-04 8.066789e-04 0.000485 0.001339 True native_MD 7 114 193 CA_AB42_13 N_AB42_21 1 1.241123e-03 4.714243e-06 ; 3.950022e-01 8.168787e-02 6.882615e-04 3.143408e-04 0.000485 0.001339 True native_MD 7 114 195 - CA_AB42_13 CA_AB42_21 1 0.000000e+00 6.569207e-05 ; 3.992894e-01 -6.569207e-05 1.336496e-03 3.416087e-03 0.000485 0.000883 True native_MD 7 114 197 + CA_AB42_13 CA_AB42_21 1 0.000000e+00 6.569255e-05 ; 3.992896e-01 -6.569255e-05 1.336496e-03 3.416087e-03 0.000485 0.000883 True native_MD 7 114 197 CA_AB42_13 CB_AB42_21 1 9.491089e-04 2.319111e-06 ; 3.670013e-01 9.710702e-02 2.040553e-03 3.611668e-03 0.000485 0.001932 True native_MD 7 114 198 - CA_AB42_13 CG_AB42_22 1 0.000000e+00 3.183683e-05 ; 3.759001e-01 -3.183683e-05 5.303139e-04 1.258854e-03 0.000485 0.001021 True native_MD 7 114 205 + CA_AB42_13 CG_AB42_22 1 0.000000e+00 3.183670e-05 ; 3.759000e-01 -3.183670e-05 5.303139e-04 1.258854e-03 0.000485 0.001021 True native_MD 7 114 205 CA_AB42_13 CA_AB42_24 1 6.859882e-03 1.216214e-04 ; 5.106409e-01 9.673045e-02 1.079585e-03 3.066106e-04 0.000485 0.000883 True native_MD 7 114 222 CA_AB42_13 CB_AB42_24 1 7.099817e-03 1.012312e-04 ; 4.924300e-01 1.244859e-01 2.477336e-03 8.591083e-04 0.000485 0.000883 True native_MD 7 114 223 CA_AB42_13 CG1_AB42_24 1 2.130200e-03 9.188835e-06 ; 4.034658e-01 1.234583e-01 2.402314e-03 9.889391e-04 0.000485 0.001932 True native_MD 7 114 224 @@ -27552,55 +27552,55 @@ CG2_AB42_12 O2_AB42_42 1 0.000000e+00 1.215671e-06 ; 2.863494e-01 -1.215671 CA_AB42_13 C_AB42_42 1 2.092658e-03 1.244071e-05 ; 4.256224e-01 8.800176e-02 8.314058e-04 3.000018e-04 0.000485 0.001339 True native_MD 7 114 358 CA_AB42_13 O1_AB42_42 1 3.523052e-04 4.168655e-07 ; 3.252217e-01 7.443583e-02 5.539890e-04 2.635796e-04 0.000485 0.001339 True native_MD 7 114 359 CA_AB42_13 O2_AB42_42 1 3.523052e-04 4.168655e-07 ; 3.252217e-01 7.443583e-02 5.539890e-04 2.635796e-04 0.000485 0.001339 True native_MD 7 114 360 - CB_AB42_13 CG_AB42_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 116 - CB_AB42_13 ND1_AB42_13 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 117 - CB_AB42_13 NE2_AB42_13 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 120 - CB_AB42_13 C_AB42_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 121 + CB_AB42_13 CG_AB42_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 116 + CB_AB42_13 ND1_AB42_13 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 117 + CB_AB42_13 NE2_AB42_13 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 120 + CB_AB42_13 C_AB42_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 121 CB_AB42_13 O_AB42_13 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 122 - CB_AB42_13 N_AB42_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 123 - CB_AB42_13 CA_AB42_14 1 0.000000e+00 3.181361e-05 ; 3.758773e-01 -3.181361e-05 9.999982e-01 9.999969e-01 0.000485 0.000060 True native_MD 4 115 125 - CB_AB42_13 CB_AB42_14 1 0.000000e+00 1.382141e-05 ; 3.506504e-01 -1.382141e-05 7.267711e-01 6.220041e-01 0.000485 0.000060 True native_MD 5 115 126 - CB_AB42_13 CG_AB42_14 1 0.000000e+00 6.198039e-06 ; 3.279816e-01 -6.198039e-06 2.331496e-01 2.116904e-01 0.000485 0.000060 True native_MD 6 115 127 - CB_AB42_13 ND1_AB42_14 1 0.000000e+00 5.071639e-06 ; 3.225453e-01 -5.071639e-06 1.102289e-01 1.618944e-01 0.000485 0.000060 True native_MD 7 115 128 + CB_AB42_13 N_AB42_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 123 + CB_AB42_13 CA_AB42_14 1 0.000000e+00 3.181348e-05 ; 3.758772e-01 -3.181348e-05 9.999982e-01 9.999969e-01 0.000485 0.000060 True native_MD 4 115 125 + CB_AB42_13 CB_AB42_14 1 0.000000e+00 1.382119e-05 ; 3.506500e-01 -1.382119e-05 7.267711e-01 6.220041e-01 0.000485 0.000060 True native_MD 5 115 126 + CB_AB42_13 CG_AB42_14 1 0.000000e+00 6.197935e-06 ; 3.279812e-01 -6.197935e-06 2.331496e-01 2.116904e-01 0.000485 0.000060 True native_MD 6 115 127 + CB_AB42_13 ND1_AB42_14 1 0.000000e+00 5.071551e-06 ; 3.225448e-01 -5.071551e-06 1.102289e-01 1.618944e-01 0.000485 0.000060 True native_MD 7 115 128 CB_AB42_13 CD2_AB42_14 1 1.157879e-03 2.372155e-06 ; 3.563800e-01 1.412939e-01 3.062266e-01 1.743283e-01 0.000485 0.002332 True native_MD 7 115 129 CB_AB42_13 CE1_AB42_14 1 1.311381e-03 3.777496e-06 ; 3.772065e-01 1.138135e-01 8.834783e-02 1.144655e-01 0.000485 0.002332 True native_MD 7 115 130 - CB_AB42_13 NE2_AB42_14 1 0.000000e+00 4.706697e-06 ; 3.205443e-01 -4.706697e-06 1.132969e-01 8.928731e-02 0.000485 0.000060 True native_MD 7 115 131 - CB_AB42_13 C_AB42_14 1 0.000000e+00 7.642775e-06 ; 3.337587e-01 -7.642775e-06 1.584245e-01 3.650588e-01 0.000485 0.000060 True native_MD 5 115 132 - CB_AB42_13 O_AB42_14 1 0.000000e+00 2.097079e-06 ; 2.996605e-01 -2.097079e-06 4.279162e-02 8.318665e-02 0.000485 0.000060 True native_MD 6 115 133 - CB_AB42_13 N_AB42_15 1 0.000000e+00 4.312890e-06 ; 3.182187e-01 -4.312890e-06 6.220254e-02 2.354328e-01 0.000485 0.000060 True native_MD 6 115 134 - CB_AB42_13 CA_AB42_15 1 0.000000e+00 3.734558e-05 ; 3.809327e-01 -3.734558e-05 7.223937e-02 2.461246e-01 0.000485 0.001021 True native_MD 7 115 136 - CB_AB42_13 CB_AB42_15 1 0.000000e+00 1.730136e-05 ; 3.572742e-01 -1.730136e-05 3.278409e-02 1.534186e-01 0.000485 0.001190 True native_MD 7 115 137 - CB_AB42_13 CG_AB42_15 1 0.000000e+00 1.696626e-05 ; 3.566924e-01 -1.696626e-05 3.344736e-02 1.323767e-01 0.000485 0.001190 True native_MD 7 115 138 - CB_AB42_13 CD_AB42_15 1 0.000000e+00 6.607779e-06 ; 3.297359e-01 -6.607779e-06 1.681057e-02 6.004065e-02 0.000485 0.000060 True native_MD 7 115 139 - CB_AB42_13 OE1_AB42_15 1 0.000000e+00 2.050508e-06 ; 2.991003e-01 -2.050508e-06 9.403828e-03 2.669434e-02 0.000485 0.001191 True native_MD 7 115 140 - CB_AB42_13 NE2_AB42_15 1 0.000000e+00 6.502290e-06 ; 3.292940e-01 -6.502290e-06 2.221428e-02 4.926741e-02 0.000485 0.000060 True native_MD 7 115 141 - CB_AB42_13 C_AB42_15 1 0.000000e+00 6.565845e-06 ; 3.295611e-01 -6.565845e-06 1.931247e-02 5.592215e-02 0.000485 0.000060 True native_MD 7 115 142 + CB_AB42_13 NE2_AB42_14 1 0.000000e+00 4.706615e-06 ; 3.205438e-01 -4.706615e-06 1.132969e-01 8.928731e-02 0.000485 0.000060 True native_MD 7 115 131 + CB_AB42_13 C_AB42_14 1 0.000000e+00 7.642646e-06 ; 3.337582e-01 -7.642646e-06 1.584245e-01 3.650588e-01 0.000485 0.000060 True native_MD 5 115 132 + CB_AB42_13 O_AB42_14 1 0.000000e+00 2.097071e-06 ; 2.996605e-01 -2.097071e-06 4.279162e-02 8.318665e-02 0.000485 0.000060 True native_MD 6 115 133 + CB_AB42_13 N_AB42_15 1 0.000000e+00 4.312833e-06 ; 3.182184e-01 -4.312833e-06 6.220254e-02 2.354328e-01 0.000485 0.000060 True native_MD 6 115 134 + CB_AB42_13 CA_AB42_15 1 0.000000e+00 3.734542e-05 ; 3.809326e-01 -3.734542e-05 7.223937e-02 2.461246e-01 0.000485 0.001021 True native_MD 7 115 136 + CB_AB42_13 CB_AB42_15 1 0.000000e+00 1.730109e-05 ; 3.572738e-01 -1.730109e-05 3.278409e-02 1.534186e-01 0.000485 0.001190 True native_MD 7 115 137 + CB_AB42_13 CG_AB42_15 1 0.000000e+00 1.696599e-05 ; 3.566919e-01 -1.696599e-05 3.344736e-02 1.323767e-01 0.000485 0.001190 True native_MD 7 115 138 + CB_AB42_13 CD_AB42_15 1 0.000000e+00 6.607668e-06 ; 3.297355e-01 -6.607668e-06 1.681057e-02 6.004065e-02 0.000485 0.000060 True native_MD 7 115 139 + CB_AB42_13 OE1_AB42_15 1 0.000000e+00 2.050500e-06 ; 2.991002e-01 -2.050500e-06 9.403828e-03 2.669434e-02 0.000485 0.001191 True native_MD 7 115 140 + CB_AB42_13 NE2_AB42_15 1 0.000000e+00 6.502253e-06 ; 3.292939e-01 -6.502253e-06 2.221428e-02 4.926741e-02 0.000485 0.000060 True native_MD 7 115 141 + CB_AB42_13 C_AB42_15 1 0.000000e+00 6.565735e-06 ; 3.295606e-01 -6.565735e-06 1.931247e-02 5.592215e-02 0.000485 0.000060 True native_MD 7 115 142 CB_AB42_13 O_AB42_15 1 2.931742e-04 2.892237e-07 ; 3.155136e-01 7.429465e-02 2.046265e-02 4.416168e-02 0.000485 0.001191 True native_MD 7 115 143 - CB_AB42_13 N_AB42_16 1 0.000000e+00 3.874517e-06 ; 3.153889e-01 -3.874517e-06 1.100270e-02 6.498275e-02 0.000485 0.000060 True native_MD 7 115 144 - CB_AB42_13 CA_AB42_16 1 0.000000e+00 3.420187e-05 ; 3.781515e-01 -3.420187e-05 3.533073e-02 1.103996e-01 0.000485 0.001021 True native_MD 7 115 146 - CB_AB42_13 CB_AB42_16 1 0.000000e+00 1.657185e-05 ; 3.559939e-01 -1.657185e-05 3.814289e-02 1.115255e-01 0.000485 0.001190 True native_MD 7 115 147 - CB_AB42_13 CG_AB42_16 1 0.000000e+00 1.638810e-05 ; 3.556633e-01 -1.638810e-05 4.114417e-02 1.026255e-01 0.000485 0.001190 True native_MD 7 115 148 + CB_AB42_13 N_AB42_16 1 0.000000e+00 3.874466e-06 ; 3.153886e-01 -3.874466e-06 1.100270e-02 6.498275e-02 0.000485 0.000060 True native_MD 7 115 144 + CB_AB42_13 CA_AB42_16 1 0.000000e+00 3.420172e-05 ; 3.781514e-01 -3.420172e-05 3.533073e-02 1.103996e-01 0.000485 0.001021 True native_MD 7 115 146 + CB_AB42_13 CB_AB42_16 1 0.000000e+00 1.657158e-05 ; 3.559934e-01 -1.657158e-05 3.814289e-02 1.115255e-01 0.000485 0.001190 True native_MD 7 115 147 + CB_AB42_13 CG_AB42_16 1 0.000000e+00 1.638784e-05 ; 3.556628e-01 -1.638784e-05 4.114417e-02 1.026255e-01 0.000485 0.001190 True native_MD 7 115 148 CB_AB42_13 CD_AB42_16 1 1.049718e-03 3.856153e-06 ; 3.928079e-01 7.143831e-02 3.909743e-02 9.188313e-02 0.000485 0.001190 True native_MD 7 115 149 CB_AB42_13 CE_AB42_16 1 1.244484e-03 5.125002e-06 ; 4.003601e-01 7.554831e-02 3.634230e-02 7.552378e-02 0.000485 0.001190 True native_MD 7 115 150 - CB_AB42_13 NZ_AB42_16 1 0.000000e+00 3.723230e-06 ; 3.143439e-01 -3.723230e-06 1.740194e-02 3.022771e-02 0.000485 0.000060 True native_MD 7 115 151 - CB_AB42_13 C_AB42_16 1 0.000000e+00 6.408906e-06 ; 3.288973e-01 -6.408906e-06 6.212223e-03 1.804441e-02 0.000485 0.000060 True native_MD 7 115 152 + CB_AB42_13 NZ_AB42_16 1 0.000000e+00 3.723181e-06 ; 3.143435e-01 -3.723181e-06 1.740194e-02 3.022771e-02 0.000485 0.000060 True native_MD 7 115 151 + CB_AB42_13 C_AB42_16 1 0.000000e+00 6.408798e-06 ; 3.288969e-01 -6.408798e-06 6.212223e-03 1.804441e-02 0.000485 0.000060 True native_MD 7 115 152 CB_AB42_13 O_AB42_16 1 3.280047e-04 3.625245e-07 ; 3.215458e-01 7.419296e-02 7.176287e-03 1.553478e-02 0.000485 0.001191 True native_MD 7 115 153 - CB_AB42_13 N_AB42_17 1 0.000000e+00 3.695207e-06 ; 3.141460e-01 -3.695207e-06 4.266386e-03 9.468901e-03 0.000485 0.000060 True native_MD 7 115 154 - CB_AB42_13 CA_AB42_17 1 0.000000e+00 3.220594e-05 ; 3.762614e-01 -3.220594e-05 1.035355e-02 2.268430e-02 0.000485 0.001021 True native_MD 7 115 156 + CB_AB42_13 N_AB42_17 1 0.000000e+00 3.695158e-06 ; 3.141457e-01 -3.695158e-06 4.266386e-03 9.468901e-03 0.000485 0.000060 True native_MD 7 115 154 + CB_AB42_13 CA_AB42_17 1 0.000000e+00 3.220580e-05 ; 3.762613e-01 -3.220580e-05 1.035355e-02 2.268430e-02 0.000485 0.001021 True native_MD 7 115 156 CB_AB42_13 CB_AB42_17 1 9.929864e-04 3.288382e-06 ; 3.860763e-01 7.496256e-02 1.050152e-02 2.220937e-02 0.000485 0.001190 True native_MD 7 115 157 CB_AB42_13 CG_AB42_17 1 1.536158e-03 8.338972e-06 ; 4.192240e-01 7.074557e-02 2.212246e-02 4.552898e-02 0.000485 0.001021 True native_MD 7 115 158 CB_AB42_13 CD1_AB42_17 1 8.078757e-04 1.678825e-06 ; 3.572263e-01 9.719049e-02 1.602514e-02 3.414217e-02 0.000485 0.002332 True native_MD 7 115 159 CB_AB42_13 CD2_AB42_17 1 1.317470e-03 3.781826e-06 ; 3.769874e-01 1.147414e-01 1.373647e-02 1.730857e-02 0.000485 0.002332 True native_MD 7 115 160 - CB_AB42_13 C_AB42_17 1 0.000000e+00 6.345806e-06 ; 3.286262e-01 -6.345806e-06 1.935285e-03 3.805296e-03 0.000485 0.000060 True native_MD 7 115 161 - CB_AB42_13 O_AB42_17 1 0.000000e+00 2.023949e-06 ; 2.987755e-01 -2.023949e-06 1.535913e-03 5.649848e-03 0.000485 0.001191 True native_MD 7 115 162 - CB_AB42_13 N_AB42_18 1 0.000000e+00 3.677858e-06 ; 3.140229e-01 -3.677858e-06 1.276784e-03 1.760099e-03 0.000485 0.000060 True native_MD 7 115 163 + CB_AB42_13 C_AB42_17 1 0.000000e+00 6.345699e-06 ; 3.286258e-01 -6.345699e-06 1.935285e-03 3.805296e-03 0.000485 0.000060 True native_MD 7 115 161 + CB_AB42_13 O_AB42_17 1 0.000000e+00 2.023941e-06 ; 2.987754e-01 -2.023941e-06 1.535913e-03 5.649848e-03 0.000485 0.001191 True native_MD 7 115 162 + CB_AB42_13 N_AB42_18 1 0.000000e+00 3.677810e-06 ; 3.140225e-01 -3.677810e-06 1.276784e-03 1.760099e-03 0.000485 0.000060 True native_MD 7 115 163 CB_AB42_13 CA_AB42_18 1 4.161546e-03 5.023814e-05 ; 4.789570e-01 8.618185e-02 7.620533e-03 9.881427e-03 0.000485 0.001021 True native_MD 7 115 165 CB_AB42_13 CB_AB42_18 1 1.374041e-03 5.697179e-06 ; 4.008144e-01 8.284752e-02 1.178521e-02 1.688522e-02 0.000485 0.001021 True native_MD 7 115 166 CB_AB42_13 CG1_AB42_18 1 8.888690e-04 1.882236e-06 ; 3.583489e-01 1.049401e-01 7.827320e-03 1.322461e-02 0.000485 0.002332 True native_MD 7 115 167 CB_AB42_13 CG2_AB42_18 1 1.107383e-03 2.798781e-06 ; 3.690726e-01 1.095386e-01 1.065971e-02 1.569462e-02 0.000485 0.002332 True native_MD 7 115 168 - CB_AB42_13 C_AB42_18 1 0.000000e+00 6.328819e-06 ; 3.285528e-01 -6.328819e-06 2.566875e-03 1.755018e-03 0.000485 0.000060 True native_MD 7 115 169 + CB_AB42_13 C_AB42_18 1 0.000000e+00 6.328713e-06 ; 3.285524e-01 -6.328713e-06 2.566875e-03 1.755018e-03 0.000485 0.000060 True native_MD 7 115 169 CB_AB42_13 O_AB42_18 1 2.553894e-04 1.769680e-07 ; 2.974738e-01 9.214059e-02 2.212674e-03 2.799390e-03 0.000485 0.001191 True native_MD 7 115 170 - CB_AB42_13 N_AB42_19 1 0.000000e+00 3.673852e-06 ; 3.139943e-01 -3.673852e-06 1.527006e-03 9.206017e-04 0.000485 0.000060 True native_MD 7 115 171 + CB_AB42_13 N_AB42_19 1 0.000000e+00 3.673804e-06 ; 3.139940e-01 -3.673804e-06 1.527006e-03 9.206017e-04 0.000485 0.000060 True native_MD 7 115 171 CB_AB42_13 CA_AB42_19 1 2.406449e-03 1.570558e-05 ; 4.322943e-01 9.218055e-02 6.916164e-03 7.494394e-03 0.000485 0.001021 True native_MD 7 115 173 CB_AB42_13 CB_AB42_19 1 1.067811e-03 2.709063e-06 ; 3.693069e-01 1.052228e-01 1.046564e-02 8.948864e-03 0.000485 0.001190 True native_MD 7 115 174 CB_AB42_13 CG_AB42_19 1 9.543048e-04 1.711735e-06 ; 3.485713e-01 1.330080e-01 9.586952e-03 6.993506e-03 0.000485 0.002332 True native_MD 7 115 175 @@ -27609,9 +27609,9 @@ CG2_AB42_12 O2_AB42_42 1 0.000000e+00 1.215671e-06 ; 2.863494e-01 -1.215671 CB_AB42_13 CE1_AB42_19 1 6.960737e-04 1.066317e-06 ; 3.395251e-01 1.135963e-01 1.373162e-02 1.790703e-02 0.000485 0.002332 True native_MD 7 115 178 CB_AB42_13 CE2_AB42_19 1 6.960737e-04 1.066317e-06 ; 3.395251e-01 1.135963e-01 1.373162e-02 1.790703e-02 0.000485 0.002332 True native_MD 7 115 179 CB_AB42_13 CZ_AB42_19 1 9.076132e-04 1.857956e-06 ; 3.563328e-01 1.108425e-01 1.471314e-02 2.083518e-02 0.000485 0.002332 True native_MD 7 115 180 - CB_AB42_13 C_AB42_19 1 0.000000e+00 6.336241e-06 ; 3.285849e-01 -6.336241e-06 1.210603e-03 1.570538e-03 0.000485 0.000060 True native_MD 7 115 181 + CB_AB42_13 C_AB42_19 1 0.000000e+00 6.336134e-06 ; 3.285845e-01 -6.336134e-06 1.210603e-03 1.570538e-03 0.000485 0.000060 True native_MD 7 115 181 CB_AB42_13 O_AB42_19 1 3.779627e-04 4.871749e-07 ; 3.298927e-01 7.330826e-02 8.613935e-04 1.914719e-03 0.000485 0.001191 True native_MD 7 115 182 - CB_AB42_13 N_AB42_20 1 0.000000e+00 3.675534e-06 ; 3.140063e-01 -3.675534e-06 8.233680e-04 6.743837e-04 0.000485 0.000060 True native_MD 7 115 183 + CB_AB42_13 N_AB42_20 1 0.000000e+00 3.675486e-06 ; 3.140060e-01 -3.675486e-06 8.233680e-04 6.743837e-04 0.000485 0.000060 True native_MD 7 115 183 CB_AB42_13 CA_AB42_20 1 3.430024e-03 3.398124e-05 ; 4.634366e-01 8.655560e-02 2.948693e-03 3.780997e-03 0.000485 0.001021 True native_MD 7 115 185 CB_AB42_13 CB_AB42_20 1 1.270850e-03 3.934071e-06 ; 3.817608e-01 1.026328e-01 4.644095e-03 4.291052e-03 0.000485 0.001190 True native_MD 7 115 186 CB_AB42_13 CG_AB42_20 1 1.515888e-03 4.427456e-06 ; 3.780778e-01 1.297538e-01 4.283926e-03 3.444693e-03 0.000485 0.002332 True native_MD 7 115 187 @@ -27620,66 +27620,66 @@ CG2_AB42_12 O2_AB42_42 1 0.000000e+00 1.215671e-06 ; 2.863494e-01 -1.215671 CB_AB42_13 CE1_AB42_20 1 9.317313e-04 1.826946e-06 ; 3.537848e-01 1.187943e-01 8.145329e-03 9.091870e-03 0.000485 0.002332 True native_MD 7 115 190 CB_AB42_13 CE2_AB42_20 1 9.317313e-04 1.826946e-06 ; 3.537848e-01 1.187943e-01 8.145329e-03 9.091870e-03 0.000485 0.002332 True native_MD 7 115 191 CB_AB42_13 CZ_AB42_20 1 8.282705e-04 1.587184e-06 ; 3.524324e-01 1.080581e-01 7.599465e-03 1.169670e-02 0.000485 0.002332 True native_MD 7 115 192 - CB_AB42_13 C_AB42_20 1 0.000000e+00 6.338149e-06 ; 3.285932e-01 -6.338149e-06 8.840167e-04 1.545208e-03 0.000485 0.000060 True native_MD 7 115 193 + CB_AB42_13 C_AB42_20 1 0.000000e+00 6.338043e-06 ; 3.285927e-01 -6.338043e-06 8.840167e-04 1.545208e-03 0.000485 0.000060 True native_MD 7 115 193 CB_AB42_13 O_AB42_20 1 7.447983e-04 1.857986e-06 ; 3.682708e-01 7.464057e-02 6.525612e-04 1.393828e-03 0.000485 0.001191 True native_MD 7 115 194 - CB_AB42_13 N_AB42_21 1 0.000000e+00 3.676924e-06 ; 3.140162e-01 -3.676924e-06 6.040500e-04 8.332116e-04 0.000485 0.000060 True native_MD 7 115 195 - CB_AB42_13 CA_AB42_21 1 0.000000e+00 3.189873e-05 ; 3.759610e-01 -3.189873e-05 1.360676e-03 4.034850e-03 0.000485 0.001021 True native_MD 7 115 197 + CB_AB42_13 N_AB42_21 1 0.000000e+00 3.676876e-06 ; 3.140159e-01 -3.676876e-06 6.040500e-04 8.332116e-04 0.000485 0.000060 True native_MD 7 115 195 + CB_AB42_13 CA_AB42_21 1 0.000000e+00 3.189859e-05 ; 3.759609e-01 -3.189859e-05 1.360676e-03 4.034850e-03 0.000485 0.001021 True native_MD 7 115 197 CB_AB42_13 CB_AB42_21 1 6.372457e-04 1.129440e-06 ; 3.478772e-01 8.988575e-02 1.524824e-03 4.042465e-03 0.000485 0.002332 True native_MD 7 115 198 - CB_AB42_13 C_AB42_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 199 + CB_AB42_13 C_AB42_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 199 CB_AB42_13 O_AB42_21 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 9.966848e-06 5.672910e-04 0.000485 0.001191 True native_MD 7 115 200 - CB_AB42_13 N_AB42_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 201 + CB_AB42_13 N_AB42_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 201 CB_AB42_13 CA_AB42_22 1 2.211494e-03 1.692273e-05 ; 4.439126e-01 7.225057e-02 5.189196e-04 8.603717e-04 0.000485 0.001021 True native_MD 7 115 203 CB_AB42_13 CB_AB42_22 1 1.026746e-03 3.225975e-06 ; 3.827069e-01 8.169683e-02 6.884461e-04 9.358711e-04 0.000485 0.001190 True native_MD 7 115 204 - CB_AB42_13 CG_AB42_22 1 0.000000e+00 1.545686e-05 ; 3.539336e-01 -1.545686e-05 6.328265e-04 1.796132e-03 0.000485 0.001190 True native_MD 7 115 205 - CB_AB42_13 CD_AB42_22 1 0.000000e+00 6.344385e-06 ; 3.286201e-01 -6.344385e-06 5.508599e-04 2.196555e-03 0.000485 0.000060 True native_MD 7 115 206 - CB_AB42_13 OE1_AB42_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 207 - CB_AB42_13 OE2_AB42_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 208 - CB_AB42_13 C_AB42_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 209 + CB_AB42_13 CG_AB42_22 1 0.000000e+00 1.545662e-05 ; 3.539331e-01 -1.545662e-05 6.328265e-04 1.796132e-03 0.000485 0.001190 True native_MD 7 115 205 + CB_AB42_13 CD_AB42_22 1 0.000000e+00 6.344278e-06 ; 3.286196e-01 -6.344278e-06 5.508599e-04 2.196555e-03 0.000485 0.000060 True native_MD 7 115 206 + CB_AB42_13 OE1_AB42_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 207 + CB_AB42_13 OE2_AB42_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 208 + CB_AB42_13 C_AB42_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 209 CB_AB42_13 O_AB42_22 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 1.378076e-04 1.109887e-04 0.000485 0.001191 True native_MD 7 115 210 - CB_AB42_13 N_AB42_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 211 + CB_AB42_13 N_AB42_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 211 CB_AB42_13 CB_AB42_23 1 2.584945e-03 2.082451e-05 ; 4.477345e-01 8.021728e-02 6.617928e-04 1.195948e-03 0.000485 0.001190 True native_MD 7 115 214 - CB_AB42_13 CG_AB42_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 215 - CB_AB42_13 OD1_AB42_23 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 216 - CB_AB42_13 OD2_AB42_23 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 217 - CB_AB42_13 C_AB42_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 218 + CB_AB42_13 CG_AB42_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 215 + CB_AB42_13 OD1_AB42_23 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 216 + CB_AB42_13 OD2_AB42_23 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 217 + CB_AB42_13 C_AB42_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 218 CB_AB42_13 O_AB42_23 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 2.027021e-04 3.084833e-04 0.000485 0.001191 True native_MD 7 115 219 - CB_AB42_13 N_AB42_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 220 + CB_AB42_13 N_AB42_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 220 CB_AB42_13 CA_AB42_24 1 2.088557e-03 1.270524e-05 ; 4.272572e-01 8.583214e-02 7.791395e-04 7.059258e-04 0.000485 0.001021 True native_MD 7 115 222 CB_AB42_13 CB_AB42_24 1 2.348966e-03 1.226964e-05 ; 4.165424e-01 1.124247e-01 1.865297e-03 1.102842e-03 0.000485 0.001021 True native_MD 7 115 223 CB_AB42_13 CG1_AB42_24 1 1.527595e-03 4.822449e-06 ; 3.830098e-01 1.209730e-01 2.230128e-03 9.662943e-04 0.000485 0.002332 True native_MD 7 115 224 CB_AB42_13 CG2_AB42_24 1 1.010198e-03 2.419426e-06 ; 3.657781e-01 1.054485e-01 1.401402e-03 7.778797e-04 0.000485 0.002332 True native_MD 7 115 225 - CB_AB42_13 C_AB42_24 1 0.000000e+00 6.331676e-06 ; 3.285652e-01 -6.331676e-06 5.529823e-04 1.921631e-04 0.000485 0.000060 True native_MD 7 115 226 + CB_AB42_13 C_AB42_24 1 0.000000e+00 6.331569e-06 ; 3.285647e-01 -6.331569e-06 5.529823e-04 1.921631e-04 0.000485 0.000060 True native_MD 7 115 226 CB_AB42_13 O_AB42_24 1 2.957085e-04 2.969921e-07 ; 3.164561e-01 7.360761e-02 5.404271e-04 3.453946e-04 0.000485 0.001191 True native_MD 7 115 227 - CB_AB42_13 N_AB42_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 228 + CB_AB42_13 N_AB42_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 228 CB_AB42_13 CA_AB42_25 1 1.605259e-03 6.107938e-06 ; 3.951163e-01 1.054717e-01 1.618754e-03 1.373878e-03 0.000485 0.001190 True native_MD 7 115 230 - CB_AB42_13 C_AB42_25 1 0.000000e+00 6.335264e-06 ; 3.285807e-01 -6.335264e-06 6.212160e-04 8.268605e-04 0.000485 0.000060 True native_MD 7 115 231 + CB_AB42_13 C_AB42_25 1 0.000000e+00 6.335157e-06 ; 3.285802e-01 -6.335157e-06 6.212160e-04 8.268605e-04 0.000485 0.000060 True native_MD 7 115 231 CB_AB42_13 O_AB42_25 1 2.868170e-04 2.535860e-07 ; 3.098038e-01 8.110068e-02 6.762729e-04 7.816569e-04 0.000485 0.001191 True native_MD 7 115 232 - CB_AB42_13 N_AB42_26 1 0.000000e+00 3.674860e-06 ; 3.140015e-01 -3.674860e-06 5.507124e-04 2.182696e-04 0.000485 0.000060 True native_MD 7 115 233 + CB_AB42_13 N_AB42_26 1 0.000000e+00 3.674811e-06 ; 3.140012e-01 -3.674811e-06 5.507124e-04 2.182696e-04 0.000485 0.000060 True native_MD 7 115 233 CB_AB42_13 CA_AB42_26 1 1.673815e-03 7.657650e-06 ; 4.074409e-01 9.146595e-02 1.435916e-03 1.589599e-03 0.000485 0.001021 True native_MD 7 115 235 CB_AB42_13 CB_AB42_26 1 2.075623e-03 9.506504e-06 ; 4.075167e-01 1.132964e-01 1.772391e-03 9.677891e-04 0.000485 0.001190 True native_MD 7 115 236 - CB_AB42_13 OG_AB42_26 1 0.000000e+00 2.781778e-06 ; 3.067999e-01 -2.781778e-06 1.397773e-03 7.769442e-04 0.000485 0.000060 True native_MD 7 115 237 - CB_AB42_13 C_AB42_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 238 + CB_AB42_13 OG_AB42_26 1 0.000000e+00 2.781736e-06 ; 3.067995e-01 -2.781736e-06 1.397773e-03 7.769442e-04 0.000485 0.000060 True native_MD 7 115 237 + CB_AB42_13 C_AB42_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 238 CB_AB42_13 O_AB42_26 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 1.071280e-04 3.521995e-04 0.000485 0.001191 True native_MD 7 115 239 - CB_AB42_13 N_AB42_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 240 + CB_AB42_13 N_AB42_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 240 CB_AB42_13 CA_AB42_27 1 4.170595e-03 3.719754e-05 ; 4.553927e-01 1.169019e-01 1.974327e-03 6.560127e-04 0.000485 0.001021 True native_MD 7 115 242 CB_AB42_13 CB_AB42_27 1 1.567873e-03 4.848516e-06 ; 3.816949e-01 1.267515e-01 2.651124e-03 8.216428e-04 0.000485 0.001190 True native_MD 7 115 243 - CB_AB42_13 CG_AB42_27 1 0.000000e+00 6.327097e-06 ; 3.285454e-01 -6.327097e-06 2.074667e-03 9.909319e-04 0.000485 0.000060 True native_MD 7 115 244 + CB_AB42_13 CG_AB42_27 1 0.000000e+00 6.326990e-06 ; 3.285449e-01 -6.326990e-06 2.074667e-03 9.909319e-04 0.000485 0.000060 True native_MD 7 115 244 CB_AB42_13 OD1_AB42_27 1 3.764771e-04 3.607918e-07 ; 3.139928e-01 9.821107e-02 1.128496e-03 6.024124e-04 0.000485 0.001191 True native_MD 7 115 245 - CB_AB42_13 ND2_AB42_27 1 0.000000e+00 6.322233e-06 ; 3.285243e-01 -6.322233e-06 2.843287e-03 1.456012e-03 0.000485 0.000060 True native_MD 7 115 246 - CB_AB42_13 C_AB42_27 1 0.000000e+00 6.328557e-06 ; 3.285517e-01 -6.328557e-06 1.009598e-03 1.563619e-04 0.000485 0.000060 True native_MD 7 115 247 + CB_AB42_13 ND2_AB42_27 1 0.000000e+00 6.322197e-06 ; 3.285242e-01 -6.322197e-06 2.843287e-03 1.456012e-03 0.000485 0.000060 True native_MD 7 115 246 + CB_AB42_13 C_AB42_27 1 0.000000e+00 6.328450e-06 ; 3.285512e-01 -6.328450e-06 1.009598e-03 1.563619e-04 0.000485 0.000060 True native_MD 7 115 247 CB_AB42_13 O_AB42_27 1 5.592909e-04 8.464315e-07 ; 3.388382e-01 9.238973e-02 9.480735e-04 2.266964e-04 0.000485 0.001191 True native_MD 7 115 248 - CB_AB42_13 N_AB42_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 249 + CB_AB42_13 N_AB42_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 249 CB_AB42_13 CA_AB42_28 1 2.976796e-03 1.983184e-05 ; 4.337795e-01 1.117056e-01 1.689991e-03 1.975656e-04 0.000485 0.001021 True native_MD 7 115 251 CB_AB42_13 CB_AB42_28 1 2.323383e-03 1.277423e-05 ; 4.201158e-01 1.056445e-01 1.409646e-03 1.838239e-04 0.000485 0.001190 True native_MD 7 115 252 CB_AB42_13 CG_AB42_28 1 2.009479e-03 9.535228e-06 ; 4.099283e-01 1.058707e-01 1.419220e-03 3.783627e-04 0.000485 0.001190 True native_MD 7 115 253 CB_AB42_13 CD_AB42_28 1 1.915778e-03 8.093170e-06 ; 4.020644e-01 1.133735e-01 1.776483e-03 5.813562e-04 0.000485 0.001190 True native_MD 7 115 254 CB_AB42_13 CE_AB42_28 1 1.240143e-03 3.249764e-06 ; 3.713043e-01 1.183128e-01 2.059473e-03 9.962000e-04 0.000485 0.001190 True native_MD 7 115 255 - CB_AB42_13 NZ_AB42_28 1 0.000000e+00 3.674185e-06 ; 3.139967e-01 -3.674185e-06 1.203461e-03 6.874754e-04 0.000485 0.000060 True native_MD 7 115 256 + CB_AB42_13 NZ_AB42_28 1 0.000000e+00 3.674137e-06 ; 3.139964e-01 -3.674137e-06 1.203461e-03 6.874754e-04 0.000485 0.000060 True native_MD 7 115 256 CB_AB42_13 C_AB42_28 1 8.494717e-04 2.131779e-06 ; 3.686370e-01 8.462441e-02 7.514822e-04 3.546044e-05 0.000485 0.000060 True native_MD 7 115 257 CB_AB42_13 O_AB42_28 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 4.823125e-04 1.813398e-04 0.000485 0.001191 True native_MD 7 115 258 CB_AB42_13 N_AB42_29 1 7.688868e-04 1.731311e-06 ; 3.620363e-01 8.536694e-02 7.683679e-04 5.002513e-05 0.000485 0.000060 True native_MD 7 115 259 CB_AB42_13 CA_AB42_29 1 1.522078e-03 4.790499e-06 ; 3.828165e-01 1.209018e-01 2.225381e-03 6.482488e-04 0.000485 0.001190 True native_MD 7 115 261 - CB_AB42_13 C_AB42_29 1 0.000000e+00 6.329149e-06 ; 3.285543e-01 -6.329149e-06 1.151643e-03 3.919882e-04 0.000485 0.000060 True native_MD 7 115 262 + CB_AB42_13 C_AB42_29 1 0.000000e+00 6.329043e-06 ; 3.285538e-01 -6.329043e-06 1.151643e-03 3.919882e-04 0.000485 0.000060 True native_MD 7 115 262 CB_AB42_13 O_AB42_29 1 3.248169e-04 3.278060e-07 ; 3.167109e-01 8.046376e-02 6.635049e-04 4.545911e-04 0.000485 0.001191 True native_MD 7 115 263 CB_AB42_13 N_AB42_30 1 1.139207e-03 3.617938e-06 ; 3.833920e-01 8.967764e-02 8.741660e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 115 264 CB_AB42_13 CA_AB42_30 1 2.893975e-03 1.253664e-05 ; 4.037517e-01 1.670123e-01 8.844767e-03 8.657664e-04 0.000485 0.001021 True native_MD 7 115 266 @@ -27762,24 +27762,24 @@ CG2_AB42_12 O2_AB42_42 1 0.000000e+00 1.215671e-06 ; 2.863494e-01 -1.215671 CB_AB42_13 N_AB42_42 1 1.639002e-03 7.814156e-06 ; 4.102517e-01 8.594429e-02 7.817587e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 115 354 CB_AB42_13 CA_AB42_42 1 2.245529e-03 9.044162e-06 ; 3.988794e-01 1.393827e-01 3.868958e-03 6.596538e-04 0.000485 0.001021 True native_MD 7 115 356 CB_AB42_13 CB_AB42_42 1 1.618212e-03 4.521236e-06 ; 3.752929e-01 1.447950e-01 4.549203e-03 7.039506e-04 0.000485 0.002332 True native_MD 7 115 357 - CB_AB42_13 C_AB42_42 1 0.000000e+00 6.331339e-06 ; 3.285637e-01 -6.331339e-06 9.425481e-04 5.286302e-04 0.000485 0.000060 True native_MD 7 115 358 - CB_AB42_13 O1_AB42_42 1 0.000000e+00 1.631080e-06 ; 2.934503e-01 -1.631080e-06 6.362962e-04 2.854279e-04 0.000485 0.000060 True native_MD 7 115 359 - CB_AB42_13 O2_AB42_42 1 0.000000e+00 1.631080e-06 ; 2.934503e-01 -1.631080e-06 6.362962e-04 2.854279e-04 0.000485 0.000060 True native_MD 7 115 360 - CG_AB42_13 O_AB42_13 1 0.000000e+00 6.142406e-07 ; 2.705141e-01 -6.142406e-07 9.126338e-01 6.554186e-01 0.000485 0.000060 True native_MD 4 116 122 - CG_AB42_13 N_AB42_14 1 0.000000e+00 1.306043e-06 ; 2.880656e-01 -1.306043e-06 8.060540e-01 6.720450e-01 0.000485 0.000060 True native_MD 4 116 123 - CG_AB42_13 CA_AB42_14 1 0.000000e+00 9.112585e-06 ; 3.386870e-01 -9.112585e-06 6.337184e-01 3.319010e-01 0.000485 0.000060 True native_MD 5 116 125 - CG_AB42_13 CB_AB42_14 1 0.000000e+00 4.687351e-06 ; 3.204343e-01 -4.687351e-06 3.091015e-01 4.913626e-02 0.000485 0.000060 True native_MD 6 116 126 + CB_AB42_13 C_AB42_42 1 0.000000e+00 6.331233e-06 ; 3.285633e-01 -6.331233e-06 9.425481e-04 5.286302e-04 0.000485 0.000060 True native_MD 7 115 358 + CB_AB42_13 O1_AB42_42 1 0.000000e+00 1.631074e-06 ; 2.934502e-01 -1.631074e-06 6.362962e-04 2.854279e-04 0.000485 0.000060 True native_MD 7 115 359 + CB_AB42_13 O2_AB42_42 1 0.000000e+00 1.631074e-06 ; 2.934502e-01 -1.631074e-06 6.362962e-04 2.854279e-04 0.000485 0.000060 True native_MD 7 115 360 + CG_AB42_13 O_AB42_13 1 0.000000e+00 6.142377e-07 ; 2.705140e-01 -6.142377e-07 9.126338e-01 6.554186e-01 0.000485 0.000060 True native_MD 4 116 122 + CG_AB42_13 N_AB42_14 1 0.000000e+00 1.306025e-06 ; 2.880653e-01 -1.306025e-06 8.060540e-01 6.720450e-01 0.000485 0.000060 True native_MD 4 116 123 + CG_AB42_13 CA_AB42_14 1 0.000000e+00 9.112538e-06 ; 3.386868e-01 -9.112538e-06 6.337184e-01 3.319010e-01 0.000485 0.000060 True native_MD 5 116 125 + CG_AB42_13 CB_AB42_14 1 0.000000e+00 4.687273e-06 ; 3.204338e-01 -4.687273e-06 3.091015e-01 4.913626e-02 0.000485 0.000060 True native_MD 6 116 126 CG_AB42_13 CG_AB42_14 1 3.140408e-03 1.337633e-05 ; 4.026167e-01 1.843212e-01 2.237659e-01 3.264439e-02 0.000485 0.002166 True native_MD 7 116 127 CG_AB42_13 ND1_AB42_14 1 1.617431e-03 4.353390e-06 ; 3.729641e-01 1.502325e-01 8.767003e-02 3.547426e-02 0.000485 0.002166 True native_MD 7 116 128 CG_AB42_13 CD2_AB42_14 1 1.595100e-03 3.203819e-06 ; 3.552058e-01 1.985399e-01 3.000620e-01 4.370319e-02 0.000485 0.003309 True native_MD 7 116 129 CG_AB42_13 CE1_AB42_14 1 2.146422e-03 6.635493e-06 ; 3.816744e-01 1.735790e-01 1.034638e-01 3.180524e-02 0.000485 0.003309 True native_MD 7 116 130 CG_AB42_13 NE2_AB42_14 1 2.282690e-03 6.937327e-06 ; 3.805902e-01 1.877767e-01 1.951390e-01 2.567184e-02 0.000485 0.002166 True native_MD 7 116 131 - CG_AB42_13 C_AB42_14 1 0.000000e+00 2.524220e-06 ; 3.043259e-01 -2.524220e-06 8.078241e-02 5.217040e-02 0.000485 0.000060 True native_MD 6 116 132 + CG_AB42_13 C_AB42_14 1 0.000000e+00 2.524175e-06 ; 3.043255e-01 -2.524175e-06 8.078241e-02 5.217040e-02 0.000485 0.000060 True native_MD 6 116 132 CG_AB42_13 O_AB42_14 1 7.159922e-04 1.049242e-06 ; 3.370243e-01 1.221465e-01 4.201114e-02 3.939620e-02 0.000485 0.002166 True native_MD 7 116 133 CG_AB42_13 N_AB42_15 1 1.078289e-03 2.217096e-06 ; 3.565947e-01 1.311071e-01 4.586099e-02 3.289048e-02 0.000485 0.002166 True native_MD 7 116 134 CG_AB42_13 CA_AB42_15 1 2.968213e-03 1.999696e-05 ; 4.345884e-01 1.101454e-01 5.710084e-02 4.739771e-02 0.000485 0.001339 True native_MD 7 116 136 - CG_AB42_13 CB_AB42_15 1 0.000000e+00 6.348365e-06 ; 3.286373e-01 -6.348365e-06 3.681510e-02 3.908914e-02 0.000485 0.000060 True native_MD 7 116 137 - CG_AB42_13 CG_AB42_15 1 0.000000e+00 6.510237e-06 ; 3.293276e-01 -6.510237e-06 2.817372e-02 5.600400e-02 0.000485 0.000060 True native_MD 7 116 138 + CG_AB42_13 CB_AB42_15 1 0.000000e+00 6.348258e-06 ; 3.286368e-01 -6.348258e-06 3.681510e-02 3.908914e-02 0.000485 0.000060 True native_MD 7 116 137 + CG_AB42_13 CG_AB42_15 1 0.000000e+00 6.510128e-06 ; 3.293271e-01 -6.510128e-06 2.817372e-02 5.600400e-02 0.000485 0.000060 True native_MD 7 116 138 CG_AB42_13 CD_AB42_15 1 1.299377e-03 5.076692e-06 ; 3.968633e-01 8.314373e-02 7.009895e-03 2.112007e-02 0.000485 0.002166 True native_MD 7 116 139 CG_AB42_13 OE1_AB42_15 1 4.550196e-04 6.360434e-07 ; 3.343819e-01 8.137921e-02 4.591486e-03 1.458416e-02 0.000485 0.002166 True native_MD 7 116 140 CG_AB42_13 NE2_AB42_15 1 6.041474e-04 1.002617e-06 ; 3.440847e-01 9.101037e-02 1.121547e-02 2.670388e-02 0.000485 0.002166 True native_MD 7 116 141 @@ -27787,29 +27787,29 @@ CG2_AB42_12 O2_AB42_42 1 0.000000e+00 1.215671e-06 ; 2.863494e-01 -1.215671 CG_AB42_13 O_AB42_15 1 5.348051e-04 6.522640e-07 ; 3.268672e-01 1.096245e-01 1.379825e-02 1.882164e-02 0.000485 0.002166 True native_MD 7 116 143 CG_AB42_13 N_AB42_16 1 8.078166e-04 1.405796e-06 ; 3.468180e-01 1.160495e-01 5.233180e-03 5.889662e-03 0.000485 0.002166 True native_MD 7 116 144 CG_AB42_13 CA_AB42_16 1 1.383549e-03 6.281927e-06 ; 4.069269e-01 7.617914e-02 1.041713e-02 2.389520e-02 0.000485 0.001339 True native_MD 7 116 146 - CG_AB42_13 CB_AB42_16 1 0.000000e+00 6.477086e-06 ; 3.291875e-01 -6.477086e-06 1.599289e-02 3.858933e-02 0.000485 0.000060 True native_MD 7 116 147 - CG_AB42_13 CG_AB42_16 1 0.000000e+00 6.495129e-06 ; 3.292638e-01 -6.495129e-06 1.486201e-02 4.030705e-02 0.000485 0.000060 True native_MD 7 116 148 - CG_AB42_13 CD_AB42_16 1 0.000000e+00 6.499116e-06 ; 3.292806e-01 -6.499116e-06 2.025839e-02 4.633297e-02 0.000485 0.000060 True native_MD 7 116 149 - CG_AB42_13 CE_AB42_16 1 0.000000e+00 6.503531e-06 ; 3.292993e-01 -6.503531e-06 1.698328e-02 4.375482e-02 0.000485 0.000060 True native_MD 7 116 150 + CG_AB42_13 CB_AB42_16 1 0.000000e+00 6.476977e-06 ; 3.291870e-01 -6.476977e-06 1.599289e-02 3.858933e-02 0.000485 0.000060 True native_MD 7 116 147 + CG_AB42_13 CG_AB42_16 1 0.000000e+00 6.495020e-06 ; 3.292633e-01 -6.495020e-06 1.486201e-02 4.030705e-02 0.000485 0.000060 True native_MD 7 116 148 + CG_AB42_13 CD_AB42_16 1 0.000000e+00 6.499007e-06 ; 3.292802e-01 -6.499007e-06 2.025839e-02 4.633297e-02 0.000485 0.000060 True native_MD 7 116 149 + CG_AB42_13 CE_AB42_16 1 0.000000e+00 6.503422e-06 ; 3.292988e-01 -6.503422e-06 1.698328e-02 4.375482e-02 0.000485 0.000060 True native_MD 7 116 150 CG_AB42_13 NZ_AB42_16 1 4.818894e-04 5.837108e-07 ; 3.264939e-01 9.945739e-02 1.043598e-02 1.929746e-02 0.000485 0.002166 True native_MD 7 116 151 CG_AB42_13 C_AB42_16 1 1.555321e-03 6.198234e-06 ; 3.981756e-01 9.756909e-02 1.812426e-03 3.546194e-03 0.000485 0.002166 True native_MD 7 116 152 CG_AB42_13 O_AB42_16 1 7.763781e-04 1.871962e-06 ; 3.661879e-01 8.049881e-02 1.933553e-03 6.305602e-03 0.000485 0.002166 True native_MD 7 116 153 CG_AB42_13 N_AB42_17 1 5.759946e-04 8.499382e-07 ; 3.374127e-01 9.758646e-02 1.107598e-03 9.783310e-04 0.000485 0.002166 True native_MD 7 116 154 CG_AB42_13 CA_AB42_17 1 1.674724e-03 7.383848e-06 ; 4.049393e-01 9.496063e-02 4.481652e-03 5.860087e-03 0.000485 0.001339 True native_MD 7 116 156 - CG_AB42_13 CB_AB42_17 1 0.000000e+00 6.333532e-06 ; 3.285732e-01 -6.333532e-06 6.452039e-03 6.384333e-03 0.000485 0.000060 True native_MD 7 116 157 - CG_AB42_13 CG_AB42_17 1 0.000000e+00 1.306691e-05 ; 3.490139e-01 -1.306691e-05 1.490031e-02 1.605317e-02 0.000485 0.000060 True native_MD 7 116 158 - CG_AB42_13 CD1_AB42_17 1 0.000000e+00 4.746352e-06 ; 3.207685e-01 -4.746352e-06 1.141136e-02 1.569320e-02 0.000485 0.000060 True native_MD 7 116 159 - CG_AB42_13 CD2_AB42_17 1 0.000000e+00 4.722200e-06 ; 3.206321e-01 -4.722200e-06 8.827291e-03 7.998799e-03 0.000485 0.000060 True native_MD 7 116 160 + CG_AB42_13 CB_AB42_17 1 0.000000e+00 6.333426e-06 ; 3.285728e-01 -6.333426e-06 6.452039e-03 6.384333e-03 0.000485 0.000060 True native_MD 7 116 157 + CG_AB42_13 CG_AB42_17 1 0.000000e+00 1.306684e-05 ; 3.490138e-01 -1.306684e-05 1.490031e-02 1.605317e-02 0.000485 0.000060 True native_MD 7 116 158 + CG_AB42_13 CD1_AB42_17 1 0.000000e+00 4.746290e-06 ; 3.207681e-01 -4.746290e-06 1.141136e-02 1.569320e-02 0.000485 0.000060 True native_MD 7 116 159 + CG_AB42_13 CD2_AB42_17 1 0.000000e+00 4.722138e-06 ; 3.206318e-01 -4.722138e-06 8.827291e-03 7.998799e-03 0.000485 0.000060 True native_MD 7 116 160 CG_AB42_13 C_AB42_17 1 1.327571e-03 4.692409e-06 ; 3.902920e-01 9.389870e-02 9.918673e-04 1.785594e-03 0.000485 0.002166 True native_MD 7 116 161 CG_AB42_13 O_AB42_17 1 3.000799e-04 2.924436e-07 ; 3.148721e-01 7.697890e-02 8.715558e-04 3.158005e-03 0.000485 0.002166 True native_MD 7 116 162 CG_AB42_13 N_AB42_18 1 1.114275e-03 3.404749e-06 ; 3.809331e-01 9.116747e-02 9.140220e-04 6.815331e-04 0.000485 0.002166 True native_MD 7 116 163 CG_AB42_13 CA_AB42_18 1 2.143068e-03 1.605715e-05 ; 4.423562e-01 7.150615e-02 2.093612e-03 5.523217e-03 0.000485 0.001339 True native_MD 7 116 165 - CG_AB42_13 CB_AB42_18 1 0.000000e+00 1.308250e-05 ; 3.490486e-01 -1.308250e-05 7.898635e-03 1.024619e-02 0.000485 0.000060 True native_MD 7 116 166 - CG_AB42_13 CG1_AB42_18 1 0.000000e+00 4.740084e-06 ; 3.207331e-01 -4.740084e-06 5.979218e-03 8.934861e-03 0.000485 0.000060 True native_MD 7 116 167 - CG_AB42_13 CG2_AB42_18 1 0.000000e+00 4.743087e-06 ; 3.207501e-01 -4.743087e-06 6.816551e-03 1.040750e-02 0.000485 0.000060 True native_MD 7 116 168 + CG_AB42_13 CB_AB42_18 1 0.000000e+00 1.308244e-05 ; 3.490485e-01 -1.308244e-05 7.898635e-03 1.024619e-02 0.000485 0.000060 True native_MD 7 116 166 + CG_AB42_13 CG1_AB42_18 1 0.000000e+00 4.740022e-06 ; 3.207328e-01 -4.740022e-06 5.979218e-03 8.934861e-03 0.000485 0.000060 True native_MD 7 116 167 + CG_AB42_13 CG2_AB42_18 1 0.000000e+00 4.743025e-06 ; 3.207497e-01 -4.743025e-06 6.816551e-03 1.040750e-02 0.000485 0.000060 True native_MD 7 116 168 CG_AB42_13 O_AB42_18 1 3.996219e-04 4.438936e-07 ; 3.218140e-01 8.994142e-02 9.984879e-04 2.454657e-03 0.000485 0.002166 True native_MD 7 116 170 CG_AB42_13 CA_AB42_19 1 2.038077e-03 1.437253e-05 ; 4.379106e-01 7.225170e-02 2.074619e-03 5.352351e-03 0.000485 0.001339 True native_MD 7 116 173 - CG_AB42_13 CB_AB42_19 1 0.000000e+00 6.339086e-06 ; 3.285972e-01 -6.339086e-06 5.368431e-03 6.177625e-03 0.000485 0.000060 True native_MD 7 116 174 + CG_AB42_13 CB_AB42_19 1 0.000000e+00 6.338980e-06 ; 3.285968e-01 -6.338980e-06 5.368431e-03 6.177625e-03 0.000485 0.000060 True native_MD 7 116 174 CG_AB42_13 CG_AB42_19 1 1.644489e-03 5.141391e-06 ; 3.823915e-01 1.314986e-01 3.384595e-03 3.665401e-03 0.000485 0.003309 True native_MD 7 116 175 CG_AB42_13 CD1_AB42_19 1 1.061591e-03 2.212939e-06 ; 3.574116e-01 1.273166e-01 6.082662e-03 7.465530e-03 0.000485 0.003309 True native_MD 7 116 176 CG_AB42_13 CD2_AB42_19 1 1.061591e-03 2.212939e-06 ; 3.574116e-01 1.273166e-01 6.082662e-03 7.465530e-03 0.000485 0.003309 True native_MD 7 116 177 @@ -27818,57 +27818,57 @@ CG2_AB42_12 O2_AB42_42 1 0.000000e+00 1.215671e-06 ; 2.863494e-01 -1.215671 CG_AB42_13 CZ_AB42_19 1 9.743211e-04 1.968593e-06 ; 3.555568e-01 1.205558e-01 9.308497e-03 1.398666e-02 0.000485 0.003309 True native_MD 7 116 180 CG_AB42_13 N_AB42_20 1 5.812468e-04 1.148489e-06 ; 3.542374e-01 7.354182e-02 5.393641e-04 3.270910e-04 0.000485 0.002166 True native_MD 7 116 183 CG_AB42_13 CA_AB42_20 1 2.237202e-03 1.372121e-05 ; 4.278399e-01 9.119220e-02 1.683537e-03 2.464141e-03 0.000485 0.001339 True native_MD 7 116 185 - CG_AB42_13 CB_AB42_20 1 0.000000e+00 6.331812e-06 ; 3.285658e-01 -6.331812e-06 3.586176e-03 3.246900e-03 0.000485 0.000060 True native_MD 7 116 186 + CG_AB42_13 CB_AB42_20 1 0.000000e+00 6.331706e-06 ; 3.285653e-01 -6.331706e-06 3.586176e-03 3.246900e-03 0.000485 0.000060 True native_MD 7 116 186 CG_AB42_13 CD1_AB42_20 1 7.285669e-04 9.984444e-07 ; 3.332799e-01 1.329092e-01 3.683292e-03 3.824005e-03 0.000485 0.003309 True native_MD 7 116 188 CG_AB42_13 CD2_AB42_20 1 7.285669e-04 9.984444e-07 ; 3.332799e-01 1.329092e-01 3.683292e-03 3.824005e-03 0.000485 0.003309 True native_MD 7 116 189 CG_AB42_13 CE1_AB42_20 1 8.530642e-04 1.335860e-06 ; 3.407714e-01 1.361892e-01 6.120471e-03 5.760204e-03 0.000485 0.003309 True native_MD 7 116 190 CG_AB42_13 CE2_AB42_20 1 8.530642e-04 1.335860e-06 ; 3.407714e-01 1.361892e-01 6.120471e-03 5.760204e-03 0.000485 0.003309 True native_MD 7 116 191 CG_AB42_13 CZ_AB42_20 1 9.699087e-04 1.823695e-06 ; 3.513206e-01 1.289583e-01 6.348143e-03 7.417827e-03 0.000485 0.003309 True native_MD 7 116 192 - CG_AB42_13 CA_AB42_21 1 0.000000e+00 1.307660e-05 ; 3.490355e-01 -1.307660e-05 1.066783e-03 2.962262e-03 0.000485 0.001339 True native_MD 7 116 197 - CG_AB42_13 CB_AB42_21 1 0.000000e+00 4.736063e-06 ; 3.207105e-01 -4.736063e-06 1.208286e-03 3.312945e-03 0.000485 0.000060 True native_MD 7 116 198 - CG_AB42_13 CB_AB42_22 1 0.000000e+00 6.335625e-06 ; 3.285823e-01 -6.335625e-06 6.023410e-04 8.650091e-04 0.000485 0.000060 True native_MD 7 116 204 - CG_AB42_13 CG_AB42_22 1 0.000000e+00 6.337009e-06 ; 3.285882e-01 -6.337009e-06 9.592411e-04 1.440459e-03 0.000485 0.000060 True native_MD 7 116 205 - CG_AB42_13 CB_AB42_23 1 0.000000e+00 6.335761e-06 ; 3.285829e-01 -6.335761e-06 5.325853e-04 8.167727e-04 0.000485 0.000060 True native_MD 7 116 214 - CG_AB42_13 CB_AB42_24 1 0.000000e+00 1.303695e-05 ; 3.489472e-01 -1.303695e-05 1.829347e-03 6.863755e-04 0.000485 0.000060 True native_MD 7 116 223 - CG_AB42_13 CG1_AB42_24 1 0.000000e+00 4.720712e-06 ; 3.206237e-01 -4.720712e-06 1.996458e-03 8.531744e-04 0.000485 0.000060 True native_MD 7 116 224 - CG_AB42_13 CG2_AB42_24 1 0.000000e+00 4.720308e-06 ; 3.206214e-01 -4.720308e-06 1.891247e-03 6.623873e-04 0.000485 0.000060 True native_MD 7 116 225 + CG_AB42_13 CA_AB42_21 1 0.000000e+00 1.307654e-05 ; 3.490353e-01 -1.307654e-05 1.066783e-03 2.962262e-03 0.000485 0.001339 True native_MD 7 116 197 + CG_AB42_13 CB_AB42_21 1 0.000000e+00 4.736001e-06 ; 3.207101e-01 -4.736001e-06 1.208286e-03 3.312945e-03 0.000485 0.000060 True native_MD 7 116 198 + CG_AB42_13 CB_AB42_22 1 0.000000e+00 6.335518e-06 ; 3.285818e-01 -6.335518e-06 6.023410e-04 8.650091e-04 0.000485 0.000060 True native_MD 7 116 204 + CG_AB42_13 CG_AB42_22 1 0.000000e+00 6.336903e-06 ; 3.285878e-01 -6.336903e-06 9.592411e-04 1.440459e-03 0.000485 0.000060 True native_MD 7 116 205 + CG_AB42_13 CB_AB42_23 1 0.000000e+00 6.335655e-06 ; 3.285824e-01 -6.335655e-06 5.325853e-04 8.167727e-04 0.000485 0.000060 True native_MD 7 116 214 + CG_AB42_13 CB_AB42_24 1 0.000000e+00 1.303688e-05 ; 3.489470e-01 -1.303688e-05 1.829347e-03 6.863755e-04 0.000485 0.000060 True native_MD 7 116 223 + CG_AB42_13 CG1_AB42_24 1 0.000000e+00 4.720651e-06 ; 3.206234e-01 -4.720651e-06 1.996458e-03 8.531744e-04 0.000485 0.000060 True native_MD 7 116 224 + CG_AB42_13 CG2_AB42_24 1 0.000000e+00 4.720246e-06 ; 3.206211e-01 -4.720246e-06 1.891247e-03 6.623873e-04 0.000485 0.000060 True native_MD 7 116 225 CG_AB42_13 CA_AB42_25 1 1.575426e-03 6.225357e-06 ; 3.976134e-01 9.967163e-02 1.178915e-03 1.241426e-03 0.000485 0.001584 True native_MD 7 116 230 CG_AB42_13 C_AB42_25 1 8.231706e-04 2.359178e-06 ; 3.768876e-01 7.180570e-02 5.120570e-04 5.257790e-04 0.000485 0.002166 True native_MD 7 116 231 CG_AB42_13 CA_AB42_26 1 1.984938e-03 1.131190e-05 ; 4.226343e-01 8.707597e-02 8.086878e-04 1.043163e-03 0.000485 0.001339 True native_MD 7 116 235 - CG_AB42_13 CB_AB42_26 1 0.000000e+00 6.333309e-06 ; 3.285723e-01 -6.333309e-06 9.782685e-04 8.752891e-04 0.000485 0.000060 True native_MD 7 116 236 + CG_AB42_13 CB_AB42_26 1 0.000000e+00 6.333202e-06 ; 3.285718e-01 -6.333202e-06 9.782685e-04 8.752891e-04 0.000485 0.000060 True native_MD 7 116 236 CG_AB42_13 OG_AB42_26 1 3.780761e-04 4.440970e-07 ; 3.248252e-01 8.046754e-02 6.635799e-04 5.549289e-04 0.000485 0.002166 True native_MD 7 116 237 CG_AB42_13 CA_AB42_27 1 1.430385e-03 6.565200e-06 ; 4.076610e-01 7.791086e-02 6.147025e-04 5.030394e-04 0.000485 0.001339 True native_MD 7 116 242 - CG_AB42_13 CB_AB42_27 1 0.000000e+00 6.330023e-06 ; 3.285580e-01 -6.330023e-06 1.182337e-03 5.606429e-04 0.000485 0.000060 True native_MD 7 116 243 + CG_AB42_13 CB_AB42_27 1 0.000000e+00 6.329917e-06 ; 3.285576e-01 -6.329917e-06 1.182337e-03 5.606429e-04 0.000485 0.000060 True native_MD 7 116 243 CG_AB42_13 CG_AB42_27 1 1.146662e-03 3.427611e-06 ; 3.795416e-01 9.590019e-02 1.053092e-03 6.266833e-04 0.000485 0.002166 True native_MD 7 116 244 CG_AB42_13 OD1_AB42_27 1 5.724185e-04 1.155654e-06 ; 3.555105e-01 7.088255e-02 4.981044e-04 5.913006e-04 0.000485 0.002166 True native_MD 7 116 245 CG_AB42_13 ND2_AB42_27 1 6.491891e-04 8.730422e-07 ; 3.322339e-01 1.206833e-01 2.210874e-03 1.041127e-03 0.000485 0.002166 True native_MD 7 116 246 CG_AB42_13 CA_AB42_28 1 1.686568e-03 7.465269e-06 ; 4.052039e-01 9.525814e-02 1.033051e-03 1.753411e-04 0.000485 0.001339 True native_MD 7 116 251 - CG_AB42_13 CB_AB42_28 1 0.000000e+00 6.328497e-06 ; 3.285514e-01 -6.328497e-06 1.076728e-03 2.141122e-04 0.000485 0.000060 True native_MD 7 116 252 - CG_AB42_13 CG_AB42_28 1 0.000000e+00 6.329815e-06 ; 3.285571e-01 -6.329815e-06 9.203336e-04 2.657544e-04 0.000485 0.000060 True native_MD 7 116 253 - CG_AB42_13 CD_AB42_28 1 0.000000e+00 6.329197e-06 ; 3.285545e-01 -6.329197e-06 1.157183e-03 4.050979e-04 0.000485 0.000060 True native_MD 7 116 254 - CG_AB42_13 CE_AB42_28 1 0.000000e+00 6.329041e-06 ; 3.285538e-01 -6.329041e-06 1.518360e-03 7.415212e-04 0.000485 0.000060 True native_MD 7 116 255 + CG_AB42_13 CB_AB42_28 1 0.000000e+00 6.328391e-06 ; 3.285510e-01 -6.328391e-06 1.076728e-03 2.141122e-04 0.000485 0.000060 True native_MD 7 116 252 + CG_AB42_13 CG_AB42_28 1 0.000000e+00 6.329709e-06 ; 3.285567e-01 -6.329709e-06 9.203336e-04 2.657544e-04 0.000485 0.000060 True native_MD 7 116 253 + CG_AB42_13 CD_AB42_28 1 0.000000e+00 6.329091e-06 ; 3.285540e-01 -6.329091e-06 1.157183e-03 4.050979e-04 0.000485 0.000060 True native_MD 7 116 254 + CG_AB42_13 CE_AB42_28 1 0.000000e+00 6.328934e-06 ; 3.285533e-01 -6.328934e-06 1.518360e-03 7.415212e-04 0.000485 0.000060 True native_MD 7 116 255 CG_AB42_13 NZ_AB42_28 1 4.316571e-04 5.248538e-07 ; 3.267006e-01 8.875228e-02 8.502904e-04 6.295442e-04 0.000485 0.002166 True native_MD 7 116 256 CG_AB42_13 C_AB42_28 1 1.015539e-03 3.494413e-06 ; 3.885494e-01 7.378343e-02 5.432780e-04 3.960350e-05 0.000485 0.002166 True native_MD 7 116 257 CG_AB42_13 CA_AB42_29 1 1.561763e-03 5.408187e-06 ; 3.889610e-01 1.127505e-01 1.743670e-03 5.826548e-04 0.000485 0.001584 True native_MD 7 116 261 CG_AB42_13 C_AB42_29 1 8.780455e-04 2.402006e-06 ; 3.739752e-01 8.024168e-02 6.591100e-04 2.517718e-04 0.000485 0.002166 True native_MD 7 116 262 CG_AB42_13 N_AB42_30 1 6.224481e-04 1.169786e-06 ; 3.512912e-01 8.280180e-02 7.115917e-04 2.100798e-06 0.000485 0.002166 True native_MD 7 116 264 CG_AB42_13 CA_AB42_30 1 2.077490e-03 7.522467e-06 ; 3.918654e-01 1.434359e-01 4.367889e-03 7.510111e-04 0.000485 0.001339 True native_MD 7 116 266 - CG_AB42_13 CB_AB42_30 1 0.000000e+00 4.716990e-06 ; 3.206026e-01 -4.716990e-06 2.740557e-03 8.097402e-04 0.000485 0.000060 True native_MD 7 116 267 + CG_AB42_13 CB_AB42_30 1 0.000000e+00 4.716929e-06 ; 3.206023e-01 -4.716929e-06 2.740557e-03 8.097402e-04 0.000485 0.000060 True native_MD 7 116 267 CG_AB42_13 C_AB42_30 1 2.288078e-03 9.290878e-06 ; 3.994211e-01 1.408721e-01 4.045306e-03 1.996819e-04 0.000485 0.002166 True native_MD 7 116 268 CG_AB42_13 O_AB42_30 1 6.035340e-04 5.990016e-07 ; 3.158307e-01 1.520252e-01 5.648119e-03 1.952287e-04 0.000485 0.002166 True native_MD 7 116 269 CG_AB42_13 CA_AB42_31 1 2.998720e-03 1.399217e-05 ; 4.087817e-01 1.606671e-01 7.315102e-03 1.911116e-04 0.000485 0.001339 True native_MD 7 116 272 CG_AB42_13 CB_AB42_31 1 1.368615e-03 5.577304e-06 ; 3.996598e-01 8.396113e-02 5.171099e-03 4.191487e-04 0.000485 0.000060 True native_MD 7 116 273 CG_AB42_13 CG1_AB42_31 1 1.423994e-03 6.339963e-06 ; 4.055986e-01 7.995944e-02 3.789375e-03 3.462274e-04 0.000485 0.000060 True native_MD 7 116 274 - CG_AB42_13 CG2_AB42_31 1 0.000000e+00 4.709283e-06 ; 3.205589e-01 -4.709283e-06 4.096209e-03 5.346733e-04 0.000485 0.000060 True native_MD 7 116 275 + CG_AB42_13 CG2_AB42_31 1 0.000000e+00 4.709222e-06 ; 3.205586e-01 -4.709222e-06 4.096209e-03 5.346733e-04 0.000485 0.000060 True native_MD 7 116 275 CG_AB42_13 CD_AB42_31 1 6.354579e-04 1.435373e-06 ; 3.622261e-01 7.033130e-02 5.436372e-03 6.625776e-04 0.000485 0.000060 True native_MD 7 116 276 CG_AB42_13 C_AB42_31 1 2.076624e-03 7.239548e-06 ; 3.893967e-01 1.489171e-01 5.146462e-03 4.792569e-05 0.000485 0.002166 True native_MD 7 116 277 CG_AB42_13 O_AB42_31 1 5.513791e-04 4.947487e-07 ; 3.105673e-01 1.536229e-01 5.924741e-03 1.138702e-04 0.000485 0.002166 True native_MD 7 116 278 CG_AB42_13 N_AB42_32 1 7.649643e-04 1.753688e-06 ; 3.631214e-01 8.341997e-02 7.248782e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 116 279 CG_AB42_13 CA_AB42_32 1 2.486115e-03 1.144646e-05 ; 4.078730e-01 1.349930e-01 3.392678e-03 2.328716e-04 0.000485 0.001339 True native_MD 7 116 281 - CG_AB42_13 CB_AB42_32 1 0.000000e+00 1.301146e-05 ; 3.488902e-01 -1.301146e-05 3.542489e-03 4.464272e-04 0.000485 0.000060 True native_MD 7 116 282 - CG_AB42_13 CG1_AB42_32 1 0.000000e+00 6.317047e-06 ; 3.285019e-01 -6.317047e-06 3.121353e-03 4.510067e-04 0.000485 0.000060 True native_MD 7 116 283 - CG_AB42_13 CG2_AB42_32 1 0.000000e+00 4.713619e-06 ; 3.205835e-01 -4.713619e-06 3.083108e-03 4.388414e-04 0.000485 0.000060 True native_MD 7 116 284 - CG_AB42_13 CD_AB42_32 1 0.000000e+00 4.711477e-06 ; 3.205714e-01 -4.711477e-06 3.853563e-03 7.561785e-04 0.000485 0.000060 True native_MD 7 116 285 + CG_AB42_13 CB_AB42_32 1 0.000000e+00 1.301139e-05 ; 3.488901e-01 -1.301139e-05 3.542489e-03 4.464272e-04 0.000485 0.000060 True native_MD 7 116 282 + CG_AB42_13 CG1_AB42_32 1 0.000000e+00 6.316941e-06 ; 3.285014e-01 -6.316941e-06 3.121353e-03 4.510067e-04 0.000485 0.000060 True native_MD 7 116 283 + CG_AB42_13 CG2_AB42_32 1 0.000000e+00 4.713557e-06 ; 3.205832e-01 -4.713557e-06 3.083108e-03 4.388414e-04 0.000485 0.000060 True native_MD 7 116 284 + CG_AB42_13 CD_AB42_32 1 0.000000e+00 4.711416e-06 ; 3.205710e-01 -4.711416e-06 3.853563e-03 7.561785e-04 0.000485 0.000060 True native_MD 7 116 285 CG_AB42_13 C_AB42_32 1 1.944218e-03 8.338477e-06 ; 4.030791e-01 1.133296e-01 1.774150e-03 1.387850e-04 0.000485 0.002166 True native_MD 7 116 286 CG_AB42_13 O_AB42_32 1 5.234995e-04 7.252407e-07 ; 3.338830e-01 9.446925e-02 1.008948e-03 2.461838e-04 0.000485 0.002166 True native_MD 7 116 287 CG_AB42_13 N_AB42_33 1 7.555371e-04 1.261120e-06 ; 3.444161e-01 1.131606e-01 1.765199e-03 2.584055e-05 0.000485 0.002166 True native_MD 7 116 288 @@ -27914,23 +27914,23 @@ CG2_AB42_12 O2_AB42_42 1 0.000000e+00 1.215671e-06 ; 2.863494e-01 -1.215671 CG_AB42_13 N_AB42_40 1 6.199330e-04 1.268423e-06 ; 3.563034e-01 7.574697e-02 5.761580e-04 8.299989e-05 0.000485 0.002166 True native_MD 7 116 337 CG_AB42_13 CA_AB42_40 1 2.252995e-03 1.025947e-05 ; 4.071247e-01 1.236903e-01 2.419053e-03 3.438954e-04 0.000485 0.001339 True native_MD 7 116 339 CG_AB42_13 CB_AB42_40 1 1.760311e-03 9.718729e-06 ; 4.204071e-01 7.970933e-02 5.250810e-03 4.833601e-04 0.000485 0.000060 True native_MD 7 116 340 - CG_AB42_13 CG1_AB42_40 1 0.000000e+00 4.714005e-06 ; 3.205857e-01 -4.714005e-06 3.234407e-03 6.719934e-04 0.000485 0.000060 True native_MD 7 116 341 + CG_AB42_13 CG1_AB42_40 1 0.000000e+00 4.713944e-06 ; 3.205854e-01 -4.713944e-06 3.234407e-03 6.719934e-04 0.000485 0.000060 True native_MD 7 116 341 CG_AB42_13 CG2_AB42_40 1 8.175212e-04 1.790577e-06 ; 3.603703e-01 9.331361e-02 5.049716e-03 3.093863e-04 0.000485 0.000060 True native_MD 7 116 342 CG_AB42_13 C_AB42_40 1 1.578859e-03 7.384388e-06 ; 4.089421e-01 8.439418e-02 7.463224e-04 5.129293e-05 0.000485 0.002166 True native_MD 7 116 343 CG_AB42_13 O_AB42_40 1 4.007596e-04 5.728332e-07 ; 3.356274e-01 7.009379e-02 4.864847e-04 1.482362e-04 0.000485 0.002166 True native_MD 7 116 344 CG_AB42_13 CA_AB42_41 1 1.798832e-03 8.492811e-06 ; 4.095844e-01 9.525109e-02 1.032833e-03 2.518599e-04 0.000485 0.001339 True native_MD 7 116 347 CG_AB42_13 CB_AB42_41 1 1.676291e-03 7.708300e-06 ; 4.077884e-01 9.113395e-02 3.098724e-03 2.026494e-04 0.000485 0.000060 True native_MD 7 116 348 CG_AB42_13 CG1_AB42_41 1 1.009647e-03 3.369143e-06 ; 3.865672e-01 7.564141e-02 2.908417e-03 3.023922e-04 0.000485 0.000060 True native_MD 7 116 349 - CG_AB42_13 CG2_AB42_41 1 0.000000e+00 4.716828e-06 ; 3.206017e-01 -4.716828e-06 2.286779e-03 3.215021e-04 0.000485 0.000060 True native_MD 7 116 350 - CG_AB42_13 CD_AB42_41 1 0.000000e+00 4.713835e-06 ; 3.205848e-01 -4.713835e-06 3.241259e-03 6.427420e-04 0.000485 0.000060 True native_MD 7 116 351 + CG_AB42_13 CG2_AB42_41 1 0.000000e+00 4.716766e-06 ; 3.206014e-01 -4.716766e-06 2.286779e-03 3.215021e-04 0.000485 0.000060 True native_MD 7 116 350 + CG_AB42_13 CD_AB42_41 1 0.000000e+00 4.713773e-06 ; 3.205844e-01 -4.713773e-06 3.241259e-03 6.427420e-04 0.000485 0.000060 True native_MD 7 116 351 CG_AB42_13 O_AB42_41 1 4.921283e-04 8.055377e-07 ; 3.432953e-01 7.516417e-02 5.661964e-04 1.491254e-04 0.000485 0.002166 True native_MD 7 116 353 CG_AB42_13 CA_AB42_42 1 2.275571e-03 1.051324e-05 ; 4.081073e-01 1.231357e-01 2.379232e-03 5.244126e-04 0.000485 0.001339 True native_MD 7 116 356 - CG_AB42_13 CB_AB42_42 1 0.000000e+00 4.711731e-06 ; 3.205728e-01 -4.711731e-06 3.543622e-03 5.000454e-04 0.000485 0.000060 True native_MD 7 116 357 -ND1_AB42_13 C_AB42_13 1 0.000000e+00 1.563902e-06 ; 2.924236e-01 -1.563902e-06 9.381449e-01 7.286045e-01 0.000485 0.000060 True native_MD 4 117 121 -ND1_AB42_13 O_AB42_13 1 0.000000e+00 6.397059e-07 ; 2.714314e-01 -6.397059e-07 1.984776e-01 2.145147e-01 0.000485 0.000060 True native_MD 5 117 122 -ND1_AB42_13 N_AB42_14 1 0.000000e+00 7.964733e-07 ; 2.764347e-01 -7.964733e-07 4.975803e-01 1.912165e-01 0.000485 0.000060 True native_MD 5 117 123 -ND1_AB42_13 CA_AB42_14 1 0.000000e+00 7.592072e-06 ; 3.335736e-01 -7.592072e-06 4.042672e-01 1.682656e-01 0.000485 0.000060 True native_MD 6 117 125 -ND1_AB42_13 CB_AB42_14 1 0.000000e+00 4.215595e-06 ; 3.176142e-01 -4.215595e-06 1.692269e-01 4.338147e-02 0.000485 0.000060 True native_MD 7 117 126 + CG_AB42_13 CB_AB42_42 1 0.000000e+00 4.711670e-06 ; 3.205725e-01 -4.711670e-06 3.543622e-03 5.000454e-04 0.000485 0.000060 True native_MD 7 116 357 +ND1_AB42_13 C_AB42_13 1 0.000000e+00 1.563873e-06 ; 2.924232e-01 -1.563873e-06 9.381449e-01 7.286045e-01 0.000485 0.000060 True native_MD 4 117 121 +ND1_AB42_13 O_AB42_13 1 0.000000e+00 6.397026e-07 ; 2.714312e-01 -6.397026e-07 1.984776e-01 2.145147e-01 0.000485 0.000060 True native_MD 5 117 122 +ND1_AB42_13 N_AB42_14 1 0.000000e+00 7.964616e-07 ; 2.764344e-01 -7.964616e-07 4.975803e-01 1.912165e-01 0.000485 0.000060 True native_MD 5 117 123 +ND1_AB42_13 CA_AB42_14 1 0.000000e+00 7.592028e-06 ; 3.335735e-01 -7.592028e-06 4.042672e-01 1.682656e-01 0.000485 0.000060 True native_MD 6 117 125 +ND1_AB42_13 CB_AB42_14 1 0.000000e+00 4.215522e-06 ; 3.176137e-01 -4.215522e-06 1.692269e-01 4.338147e-02 0.000485 0.000060 True native_MD 7 117 126 ND1_AB42_13 CG_AB42_14 1 1.699068e-03 4.538624e-06 ; 3.724937e-01 1.590148e-01 1.019289e-01 3.171164e-02 0.000485 0.002166 True native_MD 7 117 127 ND1_AB42_13 ND1_AB42_14 1 5.672063e-04 6.192998e-07 ; 3.208928e-01 1.298737e-01 4.453181e-02 3.313885e-02 0.000485 0.002166 True native_MD 7 117 128 ND1_AB42_13 CD2_AB42_14 1 1.016023e-03 1.340069e-06 ; 3.311595e-01 1.925840e-01 2.074406e-01 3.610868e-02 0.000485 0.003309 True native_MD 7 117 129 @@ -27940,8 +27940,8 @@ ND1_AB42_13 C_AB42_14 1 1.205256e-03 2.802915e-06 ; 3.639891e-01 1.295653 ND1_AB42_13 O_AB42_14 1 4.438370e-04 4.326158e-07 ; 3.148810e-01 1.138373e-01 2.944704e-02 3.541045e-02 0.000485 0.002166 True native_MD 7 117 133 ND1_AB42_13 N_AB42_15 1 2.260621e-04 9.828445e-08 ; 2.752387e-01 1.299902e-01 3.781701e-02 2.804382e-02 0.000485 0.002166 True native_MD 7 117 134 ND1_AB42_13 CA_AB42_15 1 6.825267e-04 1.132181e-06 ; 3.440588e-01 1.028640e-01 4.441896e-02 4.584844e-02 0.000485 0.001339 True native_MD 7 117 136 -ND1_AB42_13 CB_AB42_15 1 0.000000e+00 4.825263e-06 ; 3.212095e-01 -4.825263e-06 3.358047e-02 3.415688e-02 0.000485 0.000060 True native_MD 7 117 137 -ND1_AB42_13 CG_AB42_15 1 0.000000e+00 4.877846e-06 ; 3.214998e-01 -4.877846e-06 2.934347e-02 4.082369e-02 0.000485 0.000060 True native_MD 7 117 138 +ND1_AB42_13 CB_AB42_15 1 0.000000e+00 4.825179e-06 ; 3.212091e-01 -4.825179e-06 3.358047e-02 3.415688e-02 0.000485 0.000060 True native_MD 7 117 137 +ND1_AB42_13 CG_AB42_15 1 0.000000e+00 4.877761e-06 ; 3.214993e-01 -4.877761e-06 2.934347e-02 4.082369e-02 0.000485 0.000060 True native_MD 7 117 138 ND1_AB42_13 CD_AB42_15 1 8.729099e-04 1.867632e-06 ; 3.589663e-01 1.019971e-01 1.237703e-02 2.121183e-02 0.000485 0.002166 True native_MD 7 117 139 ND1_AB42_13 OE1_AB42_15 1 6.256064e-04 9.684302e-07 ; 3.401166e-01 1.010355e-01 7.596648e-03 1.339961e-02 0.000485 0.002166 True native_MD 7 117 140 ND1_AB42_13 NE2_AB42_15 1 1.699369e-04 8.585126e-08 ; 2.822127e-01 8.409473e-02 7.987949e-03 2.339273e-02 0.000485 0.002166 True native_MD 7 117 141 @@ -27949,30 +27949,30 @@ ND1_AB42_13 C_AB42_15 1 1.032419e-03 2.013328e-06 ; 3.534623e-01 1.323542 ND1_AB42_13 O_AB42_15 1 3.452460e-04 2.608448e-07 ; 3.017928e-01 1.142392e-01 1.163679e-02 1.382609e-02 0.000485 0.002166 True native_MD 7 117 143 ND1_AB42_13 N_AB42_16 1 2.109897e-04 9.126746e-08 ; 2.750062e-01 1.219401e-01 7.845504e-03 7.402800e-03 0.000485 0.002166 True native_MD 7 117 144 ND1_AB42_13 CA_AB42_16 1 8.398417e-04 2.072740e-06 ; 3.676133e-01 8.507266e-02 1.101086e-02 1.935553e-02 0.000485 0.001339 True native_MD 7 117 146 -ND1_AB42_13 CB_AB42_16 1 0.000000e+00 4.867742e-06 ; 3.214442e-01 -4.867742e-06 1.600929e-02 2.539428e-02 0.000485 0.000060 True native_MD 7 117 147 -ND1_AB42_13 CG_AB42_16 1 0.000000e+00 4.876396e-06 ; 3.214918e-01 -4.876396e-06 1.861161e-02 2.979109e-02 0.000485 0.000060 True native_MD 7 117 148 -ND1_AB42_13 CD_AB42_16 1 0.000000e+00 4.886225e-06 ; 3.215458e-01 -4.886225e-06 2.500669e-02 3.822441e-02 0.000485 0.000060 True native_MD 7 117 149 -ND1_AB42_13 CE_AB42_16 1 0.000000e+00 4.904333e-06 ; 3.216449e-01 -4.904333e-06 2.098958e-02 3.796220e-02 0.000485 0.000060 True native_MD 7 117 150 +ND1_AB42_13 CB_AB42_16 1 0.000000e+00 4.867657e-06 ; 3.214438e-01 -4.867657e-06 1.600929e-02 2.539428e-02 0.000485 0.000060 True native_MD 7 117 147 +ND1_AB42_13 CG_AB42_16 1 0.000000e+00 4.876311e-06 ; 3.214913e-01 -4.876311e-06 1.861161e-02 2.979109e-02 0.000485 0.000060 True native_MD 7 117 148 +ND1_AB42_13 CD_AB42_16 1 0.000000e+00 4.886140e-06 ; 3.215453e-01 -4.886140e-06 2.500669e-02 3.822441e-02 0.000485 0.000060 True native_MD 7 117 149 +ND1_AB42_13 CE_AB42_16 1 0.000000e+00 4.904248e-06 ; 3.216444e-01 -4.904248e-06 2.098958e-02 3.796220e-02 0.000485 0.000060 True native_MD 7 117 150 ND1_AB42_13 NZ_AB42_16 1 1.375646e-04 4.338852e-08 ; 2.609024e-01 1.090382e-01 1.435608e-02 1.992932e-02 0.000485 0.002166 True native_MD 7 117 151 ND1_AB42_13 C_AB42_16 1 6.283668e-04 9.011188e-07 ; 3.358109e-01 1.095430e-01 2.399089e-03 3.280474e-03 0.000485 0.002166 True native_MD 7 117 152 ND1_AB42_13 O_AB42_16 1 6.219464e-04 1.069572e-06 ; 3.461329e-01 9.041406e-02 1.810694e-03 4.388931e-03 0.000485 0.002166 True native_MD 7 117 153 ND1_AB42_13 N_AB42_17 1 2.323807e-04 1.231229e-07 ; 2.844613e-01 1.096481e-01 1.589069e-03 1.688028e-03 0.000485 0.002166 True native_MD 7 117 154 ND1_AB42_13 CA_AB42_17 1 8.406810e-04 1.997363e-06 ; 3.652899e-01 8.845972e-02 4.410667e-03 7.005959e-03 0.000485 0.001339 True native_MD 7 117 156 -ND1_AB42_13 CB_AB42_17 1 0.000000e+00 4.826846e-06 ; 3.212183e-01 -4.826846e-06 5.823596e-03 6.728449e-03 0.000485 0.000060 True native_MD 7 117 157 -ND1_AB42_13 CG_AB42_17 1 0.000000e+00 9.975948e-06 ; 3.412515e-01 -9.975948e-06 1.097179e-02 1.486221e-02 0.000485 0.000060 True native_MD 7 117 158 -ND1_AB42_13 CD1_AB42_17 1 0.000000e+00 3.624460e-06 ; 3.136404e-01 -3.624460e-06 7.745646e-03 1.501032e-02 0.000485 0.000060 True native_MD 7 117 159 -ND1_AB42_13 CD2_AB42_17 1 0.000000e+00 3.597057e-06 ; 3.134421e-01 -3.597057e-06 8.056871e-03 7.706246e-03 0.000485 0.000060 True native_MD 7 117 160 +ND1_AB42_13 CB_AB42_17 1 0.000000e+00 4.826763e-06 ; 3.212178e-01 -4.826763e-06 5.823596e-03 6.728449e-03 0.000485 0.000060 True native_MD 7 117 157 +ND1_AB42_13 CG_AB42_17 1 0.000000e+00 9.975891e-06 ; 3.412513e-01 -9.975891e-06 1.097179e-02 1.486221e-02 0.000485 0.000060 True native_MD 7 117 158 +ND1_AB42_13 CD1_AB42_17 1 0.000000e+00 3.624410e-06 ; 3.136400e-01 -3.624410e-06 7.745646e-03 1.501032e-02 0.000485 0.000060 True native_MD 7 117 159 +ND1_AB42_13 CD2_AB42_17 1 0.000000e+00 3.597008e-06 ; 3.134417e-01 -3.597008e-06 8.056871e-03 7.706246e-03 0.000485 0.000060 True native_MD 7 117 160 ND1_AB42_13 C_AB42_17 1 9.362534e-04 2.182450e-06 ; 3.641317e-01 1.004113e-01 1.523123e-03 2.737199e-03 0.000485 0.002166 True native_MD 7 117 161 ND1_AB42_13 O_AB42_17 1 3.716455e-04 4.548658e-07 ; 3.270587e-01 7.591270e-02 1.055509e-03 3.948616e-03 0.000485 0.002166 True native_MD 7 117 162 ND1_AB42_13 N_AB42_18 1 1.959937e-04 9.688142e-08 ; 2.811899e-01 9.912513e-02 1.159791e-03 1.372070e-03 0.000485 0.002166 True native_MD 7 117 163 -ND1_AB42_13 CA_AB42_18 1 0.000000e+00 9.983709e-06 ; 3.412736e-01 -9.983709e-06 2.518841e-03 7.190251e-03 0.000485 0.001339 True native_MD 7 117 165 -ND1_AB42_13 CB_AB42_18 1 0.000000e+00 9.973658e-06 ; 3.412449e-01 -9.973658e-06 7.206258e-03 1.086626e-02 0.000485 0.000060 True native_MD 7 117 166 -ND1_AB42_13 CG1_AB42_18 1 0.000000e+00 3.614380e-06 ; 3.135676e-01 -3.614380e-06 5.261376e-03 9.724916e-03 0.000485 0.000060 True native_MD 7 117 167 -ND1_AB42_13 CG2_AB42_18 1 0.000000e+00 3.608040e-06 ; 3.135217e-01 -3.608040e-06 6.384810e-03 9.086511e-03 0.000485 0.000060 True native_MD 7 117 168 +ND1_AB42_13 CA_AB42_18 1 0.000000e+00 9.983652e-06 ; 3.412734e-01 -9.983652e-06 2.518841e-03 7.190251e-03 0.000485 0.001339 True native_MD 7 117 165 +ND1_AB42_13 CB_AB42_18 1 0.000000e+00 9.973601e-06 ; 3.412448e-01 -9.973601e-06 7.206258e-03 1.086626e-02 0.000485 0.000060 True native_MD 7 117 166 +ND1_AB42_13 CG1_AB42_18 1 0.000000e+00 3.614331e-06 ; 3.135672e-01 -3.614331e-06 5.261376e-03 9.724916e-03 0.000485 0.000060 True native_MD 7 117 167 +ND1_AB42_13 CG2_AB42_18 1 0.000000e+00 3.607991e-06 ; 3.135214e-01 -3.607991e-06 6.384810e-03 9.086511e-03 0.000485 0.000060 True native_MD 7 117 168 ND1_AB42_13 C_AB42_18 1 1.192062e-03 3.494623e-06 ; 3.783121e-01 1.016570e-01 1.251081e-03 1.853166e-03 0.000485 0.002166 True native_MD 7 117 169 ND1_AB42_13 O_AB42_18 1 3.427038e-04 3.044802e-07 ; 3.100559e-01 9.643146e-02 1.199513e-03 2.428357e-03 0.000485 0.002166 True native_MD 7 117 170 ND1_AB42_13 CA_AB42_19 1 4.886441e-04 8.478192e-07 ; 3.466451e-01 7.040801e-02 2.297015e-03 6.262377e-03 0.000485 0.001339 True native_MD 7 117 173 -ND1_AB42_13 CB_AB42_19 1 0.000000e+00 4.841443e-06 ; 3.212991e-01 -4.841443e-06 3.622633e-03 7.554190e-03 0.000485 0.000060 True native_MD 7 117 174 +ND1_AB42_13 CB_AB42_19 1 0.000000e+00 4.841359e-06 ; 3.212987e-01 -4.841359e-06 3.622633e-03 7.554190e-03 0.000485 0.000060 True native_MD 7 117 174 ND1_AB42_13 CG_AB42_19 1 7.709075e-04 1.443222e-06 ; 3.510658e-01 1.029464e-01 2.125020e-03 5.408419e-03 0.000485 0.003309 True native_MD 7 117 175 ND1_AB42_13 CD1_AB42_19 1 6.488047e-04 9.484780e-07 ; 3.368880e-01 1.109534e-01 3.670116e-03 7.350606e-03 0.000485 0.003309 True native_MD 7 117 176 ND1_AB42_13 CD2_AB42_19 1 6.488047e-04 9.484780e-07 ; 3.368880e-01 1.109534e-01 3.670116e-03 7.350606e-03 0.000485 0.003309 True native_MD 7 117 177 @@ -27983,7 +27983,7 @@ ND1_AB42_13 C_AB42_19 1 6.601419e-04 1.184713e-06 ; 3.486015e-01 9.196054 ND1_AB42_13 O_AB42_19 1 2.707980e-04 2.073775e-07 ; 3.024726e-01 8.840348e-02 8.805133e-04 2.266629e-03 0.000485 0.002166 True native_MD 7 117 182 ND1_AB42_13 N_AB42_20 1 1.113903e-04 4.177775e-08 ; 2.685445e-01 7.424890e-02 5.508987e-04 8.567600e-04 0.000485 0.002166 True native_MD 7 117 183 ND1_AB42_13 CA_AB42_20 1 8.390242e-04 2.317525e-06 ; 3.745775e-01 7.593894e-02 1.682333e-03 3.886903e-03 0.000485 0.001339 True native_MD 7 117 185 -ND1_AB42_13 CB_AB42_20 1 0.000000e+00 4.827370e-06 ; 3.212212e-01 -4.827370e-06 3.021232e-03 4.034551e-03 0.000485 0.000060 True native_MD 7 117 186 +ND1_AB42_13 CB_AB42_20 1 0.000000e+00 4.827286e-06 ; 3.212207e-01 -4.827286e-06 3.021232e-03 4.034551e-03 0.000485 0.000060 True native_MD 7 117 186 ND1_AB42_13 CG_AB42_20 1 9.226101e-04 1.772957e-06 ; 3.525981e-01 1.200268e-01 2.167864e-03 2.689220e-03 0.000485 0.003309 True native_MD 7 117 187 ND1_AB42_13 CD1_AB42_20 1 5.705595e-04 6.736298e-07 ; 3.251023e-01 1.208150e-01 2.977926e-03 4.440074e-03 0.000485 0.003309 True native_MD 7 117 188 ND1_AB42_13 CD2_AB42_20 1 5.705595e-04 6.736298e-07 ; 3.251023e-01 1.208150e-01 2.977926e-03 4.440074e-03 0.000485 0.003309 True native_MD 7 117 189 @@ -27992,35 +27992,35 @@ ND1_AB42_13 CE2_AB42_20 1 7.175160e-04 1.163750e-06 ; 3.427715e-01 1.105970 ND1_AB42_13 CZ_AB42_20 1 1.022341e-03 2.209589e-06 ; 3.595721e-01 1.182552e-01 4.465433e-03 7.188008e-03 0.000485 0.003309 True native_MD 7 117 192 ND1_AB42_13 C_AB42_20 1 9.947585e-04 3.055801e-06 ; 3.812717e-01 8.095624e-02 6.733560e-04 1.002756e-03 0.000485 0.002166 True native_MD 7 117 193 ND1_AB42_13 O_AB42_20 1 2.287198e-04 1.682468e-07 ; 3.004511e-01 7.773214e-02 6.114237e-04 1.141078e-03 0.000485 0.002166 True native_MD 7 117 194 -ND1_AB42_13 CA_AB42_21 1 0.000000e+00 9.965817e-06 ; 3.412226e-01 -9.965817e-06 7.629376e-04 3.633850e-03 0.000485 0.001339 True native_MD 7 117 197 -ND1_AB42_13 CB_AB42_21 1 0.000000e+00 3.606865e-06 ; 3.135132e-01 -3.606865e-06 1.148354e-03 3.523478e-03 0.000485 0.000060 True native_MD 7 117 198 +ND1_AB42_13 CA_AB42_21 1 0.000000e+00 9.965760e-06 ; 3.412224e-01 -9.965760e-06 7.629376e-04 3.633850e-03 0.000485 0.001339 True native_MD 7 117 197 +ND1_AB42_13 CB_AB42_21 1 0.000000e+00 3.606816e-06 ; 3.135128e-01 -3.606816e-06 1.148354e-03 3.523478e-03 0.000485 0.000060 True native_MD 7 117 198 ND1_AB42_13 C_AB42_21 1 4.108308e-04 5.897679e-07 ; 3.358688e-01 7.154593e-02 5.080917e-04 5.470956e-04 0.000485 0.002166 True native_MD 7 117 199 ND1_AB42_13 CA_AB42_22 1 8.373034e-04 2.145501e-06 ; 3.699199e-01 8.169153e-02 6.883369e-04 1.232364e-03 0.000485 0.001339 True native_MD 7 117 203 -ND1_AB42_13 CB_AB42_22 1 0.000000e+00 4.825175e-06 ; 3.212090e-01 -4.825175e-06 6.326340e-04 1.190913e-03 0.000485 0.000060 True native_MD 7 117 204 -ND1_AB42_13 CG_AB42_22 1 0.000000e+00 4.828194e-06 ; 3.212258e-01 -4.828194e-06 9.209374e-04 2.105260e-03 0.000485 0.000060 True native_MD 7 117 205 +ND1_AB42_13 CB_AB42_22 1 0.000000e+00 4.825091e-06 ; 3.212086e-01 -4.825091e-06 6.326340e-04 1.190913e-03 0.000485 0.000060 True native_MD 7 117 204 +ND1_AB42_13 CG_AB42_22 1 0.000000e+00 4.828110e-06 ; 3.212253e-01 -4.828110e-06 9.209374e-04 2.105260e-03 0.000485 0.000060 True native_MD 7 117 205 ND1_AB42_13 CD_AB42_22 1 6.641079e-04 1.466710e-06 ; 3.608701e-01 7.517496e-02 6.353665e-04 2.429875e-03 0.000485 0.002166 True native_MD 7 117 206 -ND1_AB42_13 CB_AB42_23 1 0.000000e+00 4.825258e-06 ; 3.212095e-01 -4.825258e-06 7.768152e-04 1.352382e-03 0.000485 0.000060 True native_MD 7 117 214 +ND1_AB42_13 CB_AB42_23 1 0.000000e+00 4.825175e-06 ; 3.212090e-01 -4.825175e-06 7.768152e-04 1.352382e-03 0.000485 0.000060 True native_MD 7 117 214 ND1_AB42_13 CG_AB42_23 1 1.049726e-03 3.557880e-06 ; 3.875721e-01 7.742851e-02 6.058932e-04 1.770788e-03 0.000485 0.002166 True native_MD 7 117 215 ND1_AB42_13 CA_AB42_24 1 9.294938e-04 2.912632e-06 ; 3.825368e-01 7.415619e-02 5.493724e-04 7.247689e-04 0.000485 0.001339 True native_MD 7 117 222 -ND1_AB42_13 CB_AB42_24 1 0.000000e+00 9.930732e-06 ; 3.411223e-01 -9.930732e-06 1.504399e-03 8.446250e-04 0.000485 0.000060 True native_MD 7 117 223 -ND1_AB42_13 CG1_AB42_24 1 0.000000e+00 3.595947e-06 ; 3.134340e-01 -3.595947e-06 1.644384e-03 9.851746e-04 0.000485 0.000060 True native_MD 7 117 224 -ND1_AB42_13 CG2_AB42_24 1 0.000000e+00 3.596231e-06 ; 3.134361e-01 -3.596231e-06 1.435105e-03 8.547781e-04 0.000485 0.000060 True native_MD 7 117 225 +ND1_AB42_13 CB_AB42_24 1 0.000000e+00 9.930674e-06 ; 3.411221e-01 -9.930674e-06 1.504399e-03 8.446250e-04 0.000485 0.000060 True native_MD 7 117 223 +ND1_AB42_13 CG1_AB42_24 1 0.000000e+00 3.595898e-06 ; 3.134336e-01 -3.595898e-06 1.644384e-03 9.851746e-04 0.000485 0.000060 True native_MD 7 117 224 +ND1_AB42_13 CG2_AB42_24 1 0.000000e+00 3.596182e-06 ; 3.134357e-01 -3.596182e-06 1.435105e-03 8.547781e-04 0.000485 0.000060 True native_MD 7 117 225 ND1_AB42_13 O_AB42_24 1 2.927135e-04 2.971215e-07 ; 3.170165e-01 7.209273e-02 5.164743e-04 5.712657e-04 0.000485 0.002166 True native_MD 7 117 227 ND1_AB42_13 CA_AB42_25 1 4.666032e-04 6.535711e-07 ; 3.344959e-01 8.328037e-02 7.218562e-04 1.403721e-03 0.000485 0.001584 True native_MD 7 117 230 ND1_AB42_13 C_AB42_25 1 1.137991e-03 4.217710e-06 ; 3.933897e-01 7.676107e-02 5.939112e-04 5.710732e-04 0.000485 0.002166 True native_MD 7 117 231 ND1_AB42_13 CA_AB42_26 1 6.133584e-04 1.208468e-06 ; 3.540681e-01 7.782758e-02 6.131725e-04 9.970308e-04 0.000485 0.001339 True native_MD 7 117 235 -ND1_AB42_13 CB_AB42_26 1 0.000000e+00 4.824390e-06 ; 3.212047e-01 -4.824390e-06 5.872675e-04 9.827500e-04 0.000485 0.000060 True native_MD 7 117 236 +ND1_AB42_13 CB_AB42_26 1 0.000000e+00 4.824306e-06 ; 3.212042e-01 -4.824306e-06 5.872675e-04 9.827500e-04 0.000485 0.000060 True native_MD 7 117 236 ND1_AB42_13 OG_AB42_26 1 7.938579e-05 2.165055e-08 ; 2.546563e-01 7.277070e-02 5.270599e-04 6.093563e-04 0.000485 0.002166 True native_MD 7 117 237 ND1_AB42_13 CA_AB42_27 1 8.793987e-04 2.081323e-06 ; 3.650555e-01 9.289067e-02 9.623933e-04 5.762447e-04 0.000485 0.001339 True native_MD 7 117 242 -ND1_AB42_13 CB_AB42_27 1 0.000000e+00 4.820017e-06 ; 3.211804e-01 -4.820017e-06 1.354968e-03 8.436317e-04 0.000485 0.000060 True native_MD 7 117 243 +ND1_AB42_13 CB_AB42_27 1 0.000000e+00 4.819933e-06 ; 3.211799e-01 -4.819933e-06 1.354968e-03 8.436317e-04 0.000485 0.000060 True native_MD 7 117 243 ND1_AB42_13 CG_AB42_27 1 7.358286e-04 1.267646e-06 ; 3.462344e-01 1.067813e-01 1.458426e-03 8.074316e-04 0.000485 0.002166 True native_MD 7 117 244 ND1_AB42_13 OD1_AB42_27 1 2.409310e-04 1.999065e-07 ; 3.065413e-01 7.259364e-02 5.242747e-04 7.369185e-04 0.000485 0.002166 True native_MD 7 117 245 ND1_AB42_13 ND2_AB42_27 1 2.087178e-04 9.563849e-08 ; 2.776593e-01 1.138745e-01 1.803318e-03 1.046768e-03 0.000485 0.002166 True native_MD 7 117 246 ND1_AB42_13 CA_AB42_28 1 1.123809e-03 3.070941e-06 ; 3.739066e-01 1.028143e-01 1.295170e-03 3.066317e-04 0.000485 0.001339 True native_MD 7 117 251 -ND1_AB42_13 CB_AB42_28 1 0.000000e+00 4.819331e-06 ; 3.211766e-01 -4.819331e-06 1.187566e-03 5.339180e-04 0.000485 0.000060 True native_MD 7 117 252 -ND1_AB42_13 CG_AB42_28 1 0.000000e+00 4.821186e-06 ; 3.211869e-01 -4.821186e-06 7.159130e-04 4.470628e-04 0.000485 0.000060 True native_MD 7 117 253 -ND1_AB42_13 CD_AB42_28 1 0.000000e+00 4.817791e-06 ; 3.211680e-01 -4.817791e-06 1.523502e-03 5.505531e-04 0.000485 0.000060 True native_MD 7 117 254 -ND1_AB42_13 CE_AB42_28 1 0.000000e+00 4.820954e-06 ; 3.211856e-01 -4.820954e-06 1.466652e-03 1.149596e-03 0.000485 0.000060 True native_MD 7 117 255 +ND1_AB42_13 CB_AB42_28 1 0.000000e+00 4.819247e-06 ; 3.211761e-01 -4.819247e-06 1.187566e-03 5.339180e-04 0.000485 0.000060 True native_MD 7 117 252 +ND1_AB42_13 CG_AB42_28 1 0.000000e+00 4.821103e-06 ; 3.211864e-01 -4.821103e-06 7.159130e-04 4.470628e-04 0.000485 0.000060 True native_MD 7 117 253 +ND1_AB42_13 CD_AB42_28 1 0.000000e+00 4.817707e-06 ; 3.211676e-01 -4.817707e-06 1.523502e-03 5.505531e-04 0.000485 0.000060 True native_MD 7 117 254 +ND1_AB42_13 CE_AB42_28 1 0.000000e+00 4.820870e-06 ; 3.211851e-01 -4.820870e-06 1.466652e-03 1.149596e-03 0.000485 0.000060 True native_MD 7 117 255 ND1_AB42_13 NZ_AB42_28 1 1.004505e-04 2.711374e-08 ; 2.542179e-01 9.303682e-02 9.666117e-04 6.333544e-04 0.000485 0.002166 True native_MD 7 117 256 ND1_AB42_13 C_AB42_28 1 6.904690e-04 1.475663e-06 ; 3.589003e-01 8.076831e-02 6.695798e-04 1.176977e-04 0.000485 0.002166 True native_MD 7 117 257 ND1_AB42_13 N_AB42_29 1 1.124326e-04 4.245571e-08 ; 2.688483e-01 7.443699e-02 5.540082e-04 1.954810e-04 0.000485 0.002166 True native_MD 7 117 259 @@ -28028,23 +28028,23 @@ ND1_AB42_13 CA_AB42_29 1 7.161672e-04 1.123298e-06 ; 3.408632e-01 1.141494 ND1_AB42_13 C_AB42_29 1 7.990355e-04 1.638439e-06 ; 3.564325e-01 9.741863e-02 1.102049e-03 2.940901e-04 0.000485 0.002166 True native_MD 7 117 262 ND1_AB42_13 N_AB42_30 1 2.808027e-04 1.975015e-07 ; 2.982141e-01 9.980961e-02 1.183793e-03 3.024147e-05 0.000485 0.002166 True native_MD 7 117 264 ND1_AB42_13 CA_AB42_30 1 1.093536e-03 2.327365e-06 ; 3.586509e-01 1.284523e-01 2.789553e-03 1.221821e-03 0.000485 0.001339 True native_MD 7 117 266 -ND1_AB42_13 CB_AB42_30 1 0.000000e+00 3.593534e-06 ; 3.134165e-01 -3.593534e-06 2.590530e-03 1.260843e-03 0.000485 0.000060 True native_MD 7 117 267 +ND1_AB42_13 CB_AB42_30 1 0.000000e+00 3.593485e-06 ; 3.134161e-01 -3.593485e-06 2.590530e-03 1.260843e-03 0.000485 0.000060 True native_MD 7 117 267 ND1_AB42_13 C_AB42_30 1 1.041379e-03 2.610196e-06 ; 3.685621e-01 1.038687e-01 1.336688e-03 2.532755e-04 0.000485 0.002166 True native_MD 7 117 268 ND1_AB42_13 O_AB42_30 1 6.728664e-04 1.046558e-06 ; 3.403866e-01 1.081520e-01 1.519492e-03 4.057367e-04 0.000485 0.002166 True native_MD 7 117 269 ND1_AB42_13 N_AB42_31 1 7.555717e-04 1.984236e-06 ; 3.714379e-01 7.192802e-02 5.139347e-04 5.001082e-05 0.000485 0.002166 True native_MD 7 117 270 ND1_AB42_13 CA_AB42_31 1 9.789295e-04 1.852028e-06 ; 3.516814e-01 1.293586e-01 2.866247e-03 4.006258e-04 0.000485 0.001339 True native_MD 7 117 272 ND1_AB42_13 CB_AB42_31 1 9.464625e-04 3.038692e-06 ; 3.840878e-01 7.369877e-02 4.567510e-03 5.033166e-04 0.000485 0.000060 True native_MD 7 117 273 -ND1_AB42_13 CG1_AB42_31 1 0.000000e+00 4.808436e-06 ; 3.211160e-01 -4.808436e-06 3.423664e-03 5.107984e-04 0.000485 0.000060 True native_MD 7 117 274 -ND1_AB42_13 CG2_AB42_31 1 0.000000e+00 3.585706e-06 ; 3.133595e-01 -3.585706e-06 4.108422e-03 6.031824e-04 0.000485 0.000060 True native_MD 7 117 275 -ND1_AB42_13 CD_AB42_31 1 0.000000e+00 3.585486e-06 ; 3.133579e-01 -3.585486e-06 4.147631e-03 5.812270e-04 0.000485 0.000060 True native_MD 7 117 276 +ND1_AB42_13 CG1_AB42_31 1 0.000000e+00 4.808352e-06 ; 3.211156e-01 -4.808352e-06 3.423664e-03 5.107984e-04 0.000485 0.000060 True native_MD 7 117 274 +ND1_AB42_13 CG2_AB42_31 1 0.000000e+00 3.585657e-06 ; 3.133592e-01 -3.585657e-06 4.108422e-03 6.031824e-04 0.000485 0.000060 True native_MD 7 117 275 +ND1_AB42_13 CD_AB42_31 1 0.000000e+00 3.585437e-06 ; 3.133576e-01 -3.585437e-06 4.147631e-03 5.812270e-04 0.000485 0.000060 True native_MD 7 117 276 ND1_AB42_13 C_AB42_31 1 8.757372e-04 1.777402e-06 ; 3.558241e-01 1.078703e-01 1.506739e-03 2.190590e-04 0.000485 0.002166 True native_MD 7 117 277 ND1_AB42_13 O_AB42_31 1 3.110816e-04 2.104926e-07 ; 2.962969e-01 1.149349e-01 1.861461e-03 2.700817e-04 0.000485 0.002166 True native_MD 7 117 278 ND1_AB42_13 N_AB42_32 1 1.737825e-04 7.986374e-08 ; 2.777947e-01 9.453711e-02 1.010999e-03 2.125732e-06 0.000485 0.002166 True native_MD 7 117 279 ND1_AB42_13 CA_AB42_32 1 8.166255e-04 1.397115e-06 ; 3.458344e-01 1.193311e-01 2.123197e-03 5.997790e-04 0.000485 0.001339 True native_MD 7 117 281 -ND1_AB42_13 CB_AB42_32 1 0.000000e+00 9.912156e-06 ; 3.410691e-01 -9.912156e-06 3.134274e-03 6.052179e-04 0.000485 0.000060 True native_MD 7 117 282 -ND1_AB42_13 CG1_AB42_32 1 0.000000e+00 4.814395e-06 ; 3.211492e-01 -4.814395e-06 2.409632e-03 7.325972e-04 0.000485 0.000060 True native_MD 7 117 283 -ND1_AB42_13 CG2_AB42_32 1 0.000000e+00 3.591182e-06 ; 3.133994e-01 -3.591182e-06 2.475874e-03 4.925045e-04 0.000485 0.000060 True native_MD 7 117 284 -ND1_AB42_13 CD_AB42_32 1 0.000000e+00 3.588685e-06 ; 3.133812e-01 -3.588685e-06 3.591371e-03 9.140703e-04 0.000485 0.000060 True native_MD 7 117 285 +ND1_AB42_13 CB_AB42_32 1 0.000000e+00 9.912099e-06 ; 3.410689e-01 -9.912099e-06 3.134274e-03 6.052179e-04 0.000485 0.000060 True native_MD 7 117 282 +ND1_AB42_13 CG1_AB42_32 1 0.000000e+00 4.814312e-06 ; 3.211487e-01 -4.814312e-06 2.409632e-03 7.325972e-04 0.000485 0.000060 True native_MD 7 117 283 +ND1_AB42_13 CG2_AB42_32 1 0.000000e+00 3.591133e-06 ; 3.133990e-01 -3.591133e-06 2.475874e-03 4.925045e-04 0.000485 0.000060 True native_MD 7 117 284 +ND1_AB42_13 CD_AB42_32 1 0.000000e+00 3.588636e-06 ; 3.133808e-01 -3.588636e-06 3.591371e-03 9.140703e-04 0.000485 0.000060 True native_MD 7 117 285 ND1_AB42_13 C_AB42_32 1 7.567547e-04 1.406704e-06 ; 3.506506e-01 1.017765e-01 1.255564e-03 2.315915e-04 0.000485 0.002166 True native_MD 7 117 286 ND1_AB42_13 O_AB42_32 1 4.197111e-04 4.968768e-07 ; 3.252493e-01 8.863235e-02 8.472441e-04 3.613954e-04 0.000485 0.002166 True native_MD 7 117 287 ND1_AB42_13 N_AB42_33 1 1.396492e-04 5.170450e-08 ; 2.679672e-01 9.429505e-02 1.003702e-03 2.834189e-04 0.000485 0.002166 True native_MD 7 117 288 @@ -28056,7 +28056,7 @@ ND1_AB42_13 CA_AB42_34 1 3.227872e-03 1.895952e-05 ; 4.247680e-01 1.373869 ND1_AB42_13 CB_AB42_34 1 8.446158e-04 2.132596e-06 ; 3.690129e-01 8.362763e-02 3.545194e-03 2.902416e-04 0.000485 0.000060 True native_MD 7 117 296 ND1_AB42_13 CG_AB42_34 1 1.640163e-03 8.370834e-06 ; 4.149352e-01 8.034254e-02 7.714839e-03 6.968539e-04 0.000485 0.000060 True native_MD 7 117 297 ND1_AB42_13 CD1_AB42_34 1 4.676363e-04 7.196613e-07 ; 3.397843e-01 7.596757e-02 6.123035e-03 6.304369e-04 0.000485 0.000060 True native_MD 7 117 298 -ND1_AB42_13 CD2_AB42_34 1 0.000000e+00 3.579125e-06 ; 3.133116e-01 -3.579125e-06 6.130482e-03 7.964610e-04 0.000485 0.000060 True native_MD 7 117 299 +ND1_AB42_13 CD2_AB42_34 1 0.000000e+00 3.579077e-06 ; 3.133112e-01 -3.579077e-06 6.130482e-03 7.964610e-04 0.000485 0.000060 True native_MD 7 117 299 ND1_AB42_13 C_AB42_34 1 1.371222e-03 4.646513e-06 ; 3.875579e-01 1.011646e-01 1.232780e-03 2.499469e-04 0.000485 0.002166 True native_MD 7 117 300 ND1_AB42_13 O_AB42_34 1 5.996922e-04 8.377899e-07 ; 3.343498e-01 1.073153e-01 1.481921e-03 3.499352e-04 0.000485 0.002166 True native_MD 7 117 301 ND1_AB42_13 N_AB42_35 1 4.533934e-04 5.953663e-07 ; 3.309163e-01 8.631896e-02 7.905735e-04 5.569600e-05 0.000485 0.002166 True native_MD 7 117 302 @@ -28091,28 +28091,28 @@ ND1_AB42_13 C_AB42_39 1 8.078984e-04 1.603740e-06 ; 3.545109e-01 1.017465 ND1_AB42_13 O_AB42_39 1 4.129402e-04 4.686581e-07 ; 3.229695e-01 9.096160e-02 9.084084e-04 5.087660e-05 0.000485 0.002166 True native_MD 7 117 336 ND1_AB42_13 N_AB42_40 1 1.363545e-04 5.133243e-08 ; 2.687120e-01 9.054979e-02 8.972820e-04 1.393260e-04 0.000485 0.002166 True native_MD 7 117 337 ND1_AB42_13 CA_AB42_40 1 9.923211e-04 1.900106e-06 ; 3.523879e-01 1.295587e-01 2.883466e-03 3.196932e-04 0.000485 0.001339 True native_MD 7 117 339 -ND1_AB42_13 CB_AB42_40 1 0.000000e+00 9.898203e-06 ; 3.410290e-01 -9.898203e-06 4.515800e-03 5.826693e-04 0.000485 0.000060 True native_MD 7 117 340 -ND1_AB42_13 CG1_AB42_40 1 0.000000e+00 3.590052e-06 ; 3.133911e-01 -3.590052e-06 2.687300e-03 3.897269e-04 0.000485 0.000060 True native_MD 7 117 341 +ND1_AB42_13 CB_AB42_40 1 0.000000e+00 9.898146e-06 ; 3.410289e-01 -9.898146e-06 4.515800e-03 5.826693e-04 0.000485 0.000060 True native_MD 7 117 340 +ND1_AB42_13 CG1_AB42_40 1 0.000000e+00 3.590003e-06 ; 3.133908e-01 -3.590003e-06 2.687300e-03 3.897269e-04 0.000485 0.000060 True native_MD 7 117 341 ND1_AB42_13 CG2_AB42_40 1 4.978985e-04 6.322996e-07 ; 3.290766e-01 9.801642e-02 4.645056e-03 2.472318e-04 0.000485 0.000060 True native_MD 7 117 342 ND1_AB42_13 C_AB42_40 1 9.360182e-04 2.293327e-06 ; 3.671670e-01 9.550863e-02 1.040824e-03 1.499028e-04 0.000485 0.002166 True native_MD 7 117 343 ND1_AB42_13 O_AB42_40 1 7.488148e-04 1.460225e-06 ; 3.534605e-01 9.599952e-02 1.056227e-03 2.772800e-04 0.000485 0.002166 True native_MD 7 117 344 ND1_AB42_13 N_AB42_41 1 2.034020e-04 1.250194e-07 ; 2.915885e-01 8.273190e-02 7.101047e-04 3.071356e-05 0.000485 0.002166 True native_MD 7 117 345 ND1_AB42_13 CA_AB42_41 1 1.227632e-03 3.388070e-06 ; 3.745249e-01 1.112049e-01 1.664855e-03 3.721402e-04 0.000485 0.001339 True native_MD 7 117 347 -ND1_AB42_13 CB_AB42_41 1 0.000000e+00 9.908078e-06 ; 3.410574e-01 -9.908078e-06 3.360109e-03 4.206326e-04 0.000485 0.000060 True native_MD 7 117 348 +ND1_AB42_13 CB_AB42_41 1 0.000000e+00 9.908021e-06 ; 3.410572e-01 -9.908021e-06 3.360109e-03 4.206326e-04 0.000485 0.000060 True native_MD 7 117 348 ND1_AB42_13 CG1_AB42_41 1 4.085456e-04 5.862073e-07 ; 3.358421e-01 7.118193e-02 2.945700e-03 3.499941e-04 0.000485 0.000060 True native_MD 7 117 349 -ND1_AB42_13 CG2_AB42_41 1 0.000000e+00 3.589789e-06 ; 3.133892e-01 -3.589789e-06 2.782514e-03 4.119727e-04 0.000485 0.000060 True native_MD 7 117 350 -ND1_AB42_13 CD_AB42_41 1 0.000000e+00 3.588827e-06 ; 3.133822e-01 -3.588827e-06 3.162707e-03 5.248409e-04 0.000485 0.000060 True native_MD 7 117 351 +ND1_AB42_13 CG2_AB42_41 1 0.000000e+00 3.589740e-06 ; 3.133889e-01 -3.589740e-06 2.782514e-03 4.119727e-04 0.000485 0.000060 True native_MD 7 117 350 +ND1_AB42_13 CD_AB42_41 1 0.000000e+00 3.588778e-06 ; 3.133819e-01 -3.588778e-06 3.162707e-03 5.248409e-04 0.000485 0.000060 True native_MD 7 117 351 ND1_AB42_13 C_AB42_41 1 1.146878e-03 4.638735e-06 ; 3.991600e-01 7.088835e-02 4.981908e-04 1.025536e-04 0.000485 0.002166 True native_MD 7 117 352 ND1_AB42_13 O_AB42_41 1 4.378029e-04 6.044247e-07 ; 3.336906e-01 7.927843e-02 6.403816e-04 1.327581e-04 0.000485 0.002166 True native_MD 7 117 353 ND1_AB42_13 CA_AB42_42 1 2.102147e-03 8.663133e-06 ; 4.004073e-01 1.275238e-01 2.713110e-03 9.411857e-04 0.000485 0.001339 True native_MD 7 117 356 -ND1_AB42_13 CB_AB42_42 1 0.000000e+00 3.588484e-06 ; 3.133797e-01 -3.588484e-06 3.455144e-03 7.218406e-04 0.000485 0.000060 True native_MD 7 117 357 +ND1_AB42_13 CB_AB42_42 1 0.000000e+00 3.588435e-06 ; 3.133794e-01 -3.588435e-06 3.455144e-03 7.218406e-04 0.000485 0.000060 True native_MD 7 117 357 ND1_AB42_13 C_AB42_42 1 1.157503e-03 4.117359e-06 ; 3.907054e-01 8.135151e-02 6.813683e-04 8.273747e-04 0.000485 0.002166 True native_MD 7 117 358 ND1_AB42_13 O1_AB42_42 1 7.598539e-04 1.994362e-06 ; 3.714032e-01 7.237628e-02 5.208754e-04 5.224600e-04 0.000485 0.002166 True native_MD 7 117 359 ND1_AB42_13 O2_AB42_42 1 7.598539e-04 1.994362e-06 ; 3.714032e-01 7.237628e-02 5.208754e-04 5.224600e-04 0.000485 0.002166 True native_MD 7 117 360 -CD2_AB42_13 C_AB42_13 1 0.000000e+00 2.349273e-06 ; 3.025098e-01 -2.349273e-06 9.293507e-01 8.334146e-01 0.000485 0.000060 True native_MD 4 118 121 -CD2_AB42_13 O_AB42_13 1 0.000000e+00 5.780768e-07 ; 2.691496e-01 -5.780768e-07 5.309832e-01 2.300361e-01 0.000485 0.000060 True native_MD 5 118 122 -CD2_AB42_13 N_AB42_14 1 0.000000e+00 9.787442e-07 ; 2.812230e-01 -9.787442e-07 5.584782e-01 2.074488e-01 0.000485 0.000060 True native_MD 5 118 123 -CD2_AB42_13 CA_AB42_14 1 0.000000e+00 8.009645e-06 ; 3.350653e-01 -8.009645e-06 5.648370e-01 1.785152e-01 0.000485 0.000060 True native_MD 6 118 125 +CD2_AB42_13 C_AB42_13 1 0.000000e+00 2.349232e-06 ; 3.025094e-01 -2.349232e-06 9.293507e-01 8.334146e-01 0.000485 0.000060 True native_MD 4 118 121 +CD2_AB42_13 O_AB42_13 1 0.000000e+00 5.780741e-07 ; 2.691495e-01 -5.780741e-07 5.309832e-01 2.300361e-01 0.000485 0.000060 True native_MD 5 118 122 +CD2_AB42_13 N_AB42_14 1 0.000000e+00 9.787304e-07 ; 2.812226e-01 -9.787304e-07 5.584782e-01 2.074488e-01 0.000485 0.000060 True native_MD 5 118 123 +CD2_AB42_13 CA_AB42_14 1 0.000000e+00 8.009603e-06 ; 3.350651e-01 -8.009603e-06 5.648370e-01 1.785152e-01 0.000485 0.000060 True native_MD 6 118 125 CD2_AB42_13 CB_AB42_14 1 1.603814e-03 3.423676e-06 ; 3.588308e-01 1.878259e-01 3.221539e-01 4.556462e-02 0.000485 0.002332 True native_MD 7 118 126 CD2_AB42_13 CG_AB42_14 1 1.316678e-03 2.103998e-06 ; 3.419225e-01 2.059935e-01 2.967607e-01 3.458086e-02 0.000485 0.003309 True native_MD 7 118 127 CD2_AB42_13 ND1_AB42_14 1 1.045393e-03 1.421020e-06 ; 3.328282e-01 1.922645e-01 1.954935e-01 3.435600e-02 0.000485 0.003309 True native_MD 7 118 128 @@ -28135,7 +28135,7 @@ CD2_AB42_13 CA_AB42_16 1 1.086811e-03 3.296903e-06 ; 3.804743e-01 8.956572 CD2_AB42_13 CB_AB42_16 1 5.636971e-04 1.021942e-06 ; 3.491913e-01 7.773296e-02 8.837999e-03 3.371006e-02 0.000485 0.002332 True native_MD 7 118 147 CD2_AB42_13 CG_AB42_16 1 7.563053e-04 1.940361e-06 ; 3.699965e-01 7.369731e-02 8.556537e-03 3.682592e-02 0.000485 0.002332 True native_MD 7 118 148 CD2_AB42_13 CD_AB42_16 1 6.730090e-04 1.580875e-06 ; 3.645967e-01 7.162823e-02 1.042529e-02 4.773477e-02 0.000485 0.002332 True native_MD 7 118 149 -CD2_AB42_13 CE_AB42_16 1 0.000000e+00 6.576961e-06 ; 3.296075e-01 -6.576961e-06 8.532148e-03 4.689670e-02 0.000485 0.002332 True native_MD 7 118 150 +CD2_AB42_13 CE_AB42_16 1 0.000000e+00 6.576850e-06 ; 3.296071e-01 -6.576850e-06 8.532148e-03 4.689670e-02 0.000485 0.002332 True native_MD 7 118 150 CD2_AB42_13 NZ_AB42_16 1 5.113667e-04 8.365588e-07 ; 3.432633e-01 7.814629e-02 4.744086e-03 2.536161e-02 0.000485 0.003309 True native_MD 7 118 151 CD2_AB42_13 C_AB42_16 1 1.103432e-03 2.987734e-06 ; 3.733356e-01 1.018802e-01 2.014661e-03 5.293685e-03 0.000485 0.003309 True native_MD 7 118 152 CD2_AB42_13 O_AB42_16 1 2.467446e-04 1.766556e-07 ; 2.990979e-01 8.616042e-02 1.454881e-03 6.119285e-03 0.000485 0.003309 True native_MD 7 118 153 @@ -28303,9 +28303,9 @@ CD2_AB42_13 CB_AB42_42 1 5.836952e-04 6.118551e-07 ; 3.187208e-01 1.392079 CD2_AB42_13 C_AB42_42 1 6.785072e-04 1.208180e-06 ; 3.481472e-01 9.526144e-02 1.033153e-03 7.047540e-04 0.000485 0.003309 True native_MD 7 118 358 CD2_AB42_13 O1_AB42_42 1 4.616519e-04 7.582448e-07 ; 3.434913e-01 7.026836e-02 4.890328e-04 4.018614e-04 0.000485 0.003309 True native_MD 7 118 359 CD2_AB42_13 O2_AB42_42 1 4.616519e-04 7.582448e-07 ; 3.434913e-01 7.026836e-02 4.890328e-04 4.018614e-04 0.000485 0.003309 True native_MD 7 118 360 -CE1_AB42_13 C_AB42_13 1 0.000000e+00 1.762430e-06 ; 2.953505e-01 -1.762430e-06 5.457480e-01 2.239789e-01 0.000485 0.000060 True native_MD 5 119 121 -CE1_AB42_13 O_AB42_13 1 0.000000e+00 8.388257e-07 ; 2.776308e-01 -8.388257e-07 8.365294e-02 9.802259e-02 0.000485 0.000060 True native_MD 6 119 122 -CE1_AB42_13 N_AB42_14 1 0.000000e+00 1.136272e-06 ; 2.847422e-01 -1.136272e-06 3.067233e-01 6.014479e-02 0.000485 0.000060 True native_MD 6 119 123 +CE1_AB42_13 C_AB42_13 1 0.000000e+00 1.762399e-06 ; 2.953500e-01 -1.762399e-06 5.457480e-01 2.239789e-01 0.000485 0.000060 True native_MD 5 119 121 +CE1_AB42_13 O_AB42_13 1 0.000000e+00 8.388219e-07 ; 2.776307e-01 -8.388219e-07 8.365294e-02 9.802259e-02 0.000485 0.000060 True native_MD 6 119 122 +CE1_AB42_13 N_AB42_14 1 0.000000e+00 1.136256e-06 ; 2.847419e-01 -1.136256e-06 3.067233e-01 6.014479e-02 0.000485 0.000060 True native_MD 6 119 123 CE1_AB42_13 CA_AB42_14 1 4.220538e-03 2.751145e-05 ; 4.322061e-01 1.618684e-01 2.997221e-01 7.638851e-02 0.000485 0.001933 True native_MD 7 119 125 CE1_AB42_13 CB_AB42_14 1 2.393343e-03 7.385678e-06 ; 3.815612e-01 1.938918e-01 1.804337e-01 2.128361e-02 0.000485 0.002332 True native_MD 7 119 126 CE1_AB42_13 CG_AB42_14 1 1.625702e-03 3.207438e-06 ; 3.541492e-01 2.059983e-01 1.766179e-01 2.057795e-02 0.000485 0.003309 True native_MD 7 119 127 @@ -28371,7 +28371,7 @@ CE1_AB42_13 CZ_AB42_20 1 6.743784e-04 8.443173e-07 ; 3.282971e-01 1.346609 CE1_AB42_13 C_AB42_20 1 1.101478e-03 2.960222e-06 ; 3.728705e-01 1.024632e-01 1.281631e-03 2.647649e-03 0.000485 0.003309 True native_MD 7 119 193 CE1_AB42_13 O_AB42_20 1 1.527354e-04 6.012247e-08 ; 2.707174e-01 9.700249e-02 1.088410e-03 2.215743e-03 0.000485 0.003309 True native_MD 7 119 194 CE1_AB42_13 N_AB42_21 1 2.970866e-04 3.143134e-07 ; 3.192126e-01 7.020096e-02 4.880474e-04 1.862262e-03 0.000485 0.003309 True native_MD 7 119 195 -CE1_AB42_13 CA_AB42_21 1 0.000000e+00 1.311688e-05 ; 3.491249e-01 -1.311688e-05 1.426825e-03 6.407947e-03 0.000485 0.001933 True native_MD 7 119 197 +CE1_AB42_13 CA_AB42_21 1 0.000000e+00 1.311681e-05 ; 3.491248e-01 -1.311681e-05 1.426825e-03 6.407947e-03 0.000485 0.001933 True native_MD 7 119 197 CE1_AB42_13 CB_AB42_21 1 4.002961e-04 4.477312e-07 ; 3.221855e-01 8.947164e-02 9.792285e-04 5.990737e-03 0.000485 0.005315 True native_MD 7 119 198 CE1_AB42_13 C_AB42_21 1 4.771398e-04 6.484902e-07 ; 3.328202e-01 8.776633e-02 8.255687e-04 1.428808e-03 0.000485 0.003309 True native_MD 7 119 199 CE1_AB42_13 O_AB42_21 1 1.087446e-04 3.698135e-08 ; 2.641978e-01 7.994153e-02 6.532162e-04 1.448831e-03 0.000485 0.003309 True native_MD 7 119 200 @@ -28506,9 +28506,9 @@ CE1_AB42_13 CB_AB42_42 1 7.227674e-04 9.171086e-07 ; 3.290312e-01 1.424021 CE1_AB42_13 C_AB42_42 1 5.802648e-04 7.196187e-07 ; 3.277777e-01 1.169742e-01 1.978600e-03 1.252060e-03 0.000485 0.003309 True native_MD 7 119 358 CE1_AB42_13 O1_AB42_42 1 2.516496e-04 1.522323e-07 ; 2.908161e-01 1.039982e-01 1.341880e-03 9.589704e-04 0.000485 0.003309 True native_MD 7 119 359 CE1_AB42_13 O2_AB42_42 1 2.516496e-04 1.522323e-07 ; 2.908161e-01 1.039982e-01 1.341880e-03 9.589704e-04 0.000485 0.003309 True native_MD 7 119 360 -NE2_AB42_13 C_AB42_13 1 0.000000e+00 1.322996e-06 ; 2.883754e-01 -1.322996e-06 4.983317e-01 1.670276e-01 0.000485 0.000060 True native_MD 5 120 121 -NE2_AB42_13 O_AB42_13 1 0.000000e+00 6.151415e-07 ; 2.705471e-01 -6.151415e-07 9.377835e-02 7.080016e-02 0.000485 0.000060 True native_MD 6 120 122 -NE2_AB42_13 N_AB42_14 1 0.000000e+00 9.014039e-07 ; 2.793004e-01 -9.014039e-07 2.596109e-01 4.462946e-02 0.000485 0.000060 True native_MD 6 120 123 +NE2_AB42_13 C_AB42_13 1 0.000000e+00 1.322971e-06 ; 2.883750e-01 -1.322971e-06 4.983317e-01 1.670276e-01 0.000485 0.000060 True native_MD 5 120 121 +NE2_AB42_13 O_AB42_13 1 0.000000e+00 6.151384e-07 ; 2.705470e-01 -6.151384e-07 9.377835e-02 7.080016e-02 0.000485 0.000060 True native_MD 6 120 122 +NE2_AB42_13 N_AB42_14 1 0.000000e+00 9.013906e-07 ; 2.793001e-01 -9.013906e-07 2.596109e-01 4.462946e-02 0.000485 0.000060 True native_MD 6 120 123 NE2_AB42_13 CA_AB42_14 1 3.705725e-03 2.108108e-05 ; 4.225096e-01 1.628522e-01 3.195271e-01 5.477930e-02 0.000485 0.001339 True native_MD 7 120 125 NE2_AB42_13 CB_AB42_14 1 7.549066e-04 1.646629e-06 ; 3.601226e-01 8.652282e-02 1.916700e-01 1.438951e-02 0.000485 0.000060 True native_MD 7 120 126 NE2_AB42_13 CG_AB42_14 1 1.596301e-03 2.966989e-06 ; 3.506444e-01 2.147106e-01 2.458837e-01 1.444744e-02 0.000485 0.002166 True native_MD 7 120 127 @@ -28520,8 +28520,8 @@ NE2_AB42_13 C_AB42_14 1 1.103031e-03 1.968091e-06 ; 3.482648e-01 1.545505 NE2_AB42_13 O_AB42_14 1 3.236754e-04 1.901361e-07 ; 2.893960e-01 1.377510e-01 4.717151e-02 2.773136e-02 0.000485 0.002166 True native_MD 7 120 133 NE2_AB42_13 N_AB42_15 1 7.753208e-04 1.006626e-06 ; 3.302918e-01 1.492914e-01 3.576894e-02 1.488694e-02 0.000485 0.002166 True native_MD 7 120 134 NE2_AB42_13 CA_AB42_15 1 1.091669e-03 2.440536e-06 ; 3.616033e-01 1.220777e-01 6.482296e-02 3.765046e-02 0.000485 0.001339 True native_MD 7 120 136 -NE2_AB42_13 CB_AB42_15 1 0.000000e+00 4.727664e-06 ; 3.206630e-01 -4.727664e-06 4.897579e-02 2.931392e-02 0.000485 0.000060 True native_MD 7 120 137 -NE2_AB42_13 CG_AB42_15 1 0.000000e+00 4.761060e-06 ; 3.208512e-01 -4.761060e-06 4.493737e-02 3.220067e-02 0.000485 0.000060 True native_MD 7 120 138 +NE2_AB42_13 CB_AB42_15 1 0.000000e+00 4.727582e-06 ; 3.206626e-01 -4.727582e-06 4.897579e-02 2.931392e-02 0.000485 0.000060 True native_MD 7 120 137 +NE2_AB42_13 CG_AB42_15 1 0.000000e+00 4.760978e-06 ; 3.208507e-01 -4.760978e-06 4.493737e-02 3.220067e-02 0.000485 0.000060 True native_MD 7 120 138 NE2_AB42_13 CD_AB42_15 1 6.867863e-04 9.235443e-07 ; 3.322304e-01 1.276808e-01 2.514031e-02 1.997697e-02 0.000485 0.002166 True native_MD 7 120 139 NE2_AB42_13 OE1_AB42_15 1 1.585649e-04 4.827835e-08 ; 2.593727e-01 1.301972e-01 1.923918e-02 1.417923e-02 0.000485 0.002166 True native_MD 7 120 140 NE2_AB42_13 NE2_AB42_15 1 3.821288e-04 3.295755e-07 ; 3.085254e-01 1.107655e-01 1.694008e-02 2.233210e-02 0.000485 0.002166 True native_MD 7 120 141 @@ -28529,31 +28529,31 @@ NE2_AB42_13 C_AB42_15 1 7.051421e-04 9.762575e-07 ; 3.338474e-01 1.273295 NE2_AB42_13 O_AB42_15 1 1.738532e-04 6.451232e-08 ; 2.680670e-01 1.171286e-01 1.147957e-02 1.250948e-02 0.000485 0.002166 True native_MD 7 120 143 NE2_AB42_13 N_AB42_16 1 6.380302e-04 8.693484e-07 ; 3.329600e-01 1.170654e-01 5.689762e-03 6.211891e-03 0.000485 0.002166 True native_MD 7 120 144 NE2_AB42_13 CA_AB42_16 1 7.323987e-04 1.527932e-06 ; 3.574589e-01 8.776699e-02 9.295541e-03 1.507444e-02 0.000485 0.001339 True native_MD 7 120 146 -NE2_AB42_13 CB_AB42_16 1 0.000000e+00 4.865332e-06 ; 3.214310e-01 -4.865332e-06 7.374022e-03 1.625930e-02 0.000485 0.000060 True native_MD 7 120 147 -NE2_AB42_13 CG_AB42_16 1 0.000000e+00 4.863121e-06 ; 3.214188e-01 -4.863121e-06 7.632344e-03 1.605910e-02 0.000485 0.000060 True native_MD 7 120 148 -NE2_AB42_13 CD_AB42_16 1 0.000000e+00 4.911705e-06 ; 3.216852e-01 -4.911705e-06 8.285313e-03 2.678666e-02 0.000485 0.000060 True native_MD 7 120 149 -NE2_AB42_13 CE_AB42_16 1 0.000000e+00 4.919100e-06 ; 3.217255e-01 -4.919100e-06 8.616184e-03 2.865086e-02 0.000485 0.000060 True native_MD 7 120 150 +NE2_AB42_13 CB_AB42_16 1 0.000000e+00 4.865247e-06 ; 3.214305e-01 -4.865247e-06 7.374022e-03 1.625930e-02 0.000485 0.000060 True native_MD 7 120 147 +NE2_AB42_13 CG_AB42_16 1 0.000000e+00 4.863036e-06 ; 3.214183e-01 -4.863036e-06 7.632344e-03 1.605910e-02 0.000485 0.000060 True native_MD 7 120 148 +NE2_AB42_13 CD_AB42_16 1 0.000000e+00 4.911620e-06 ; 3.216847e-01 -4.911620e-06 8.285313e-03 2.678666e-02 0.000485 0.000060 True native_MD 7 120 149 +NE2_AB42_13 CE_AB42_16 1 0.000000e+00 4.919014e-06 ; 3.217250e-01 -4.919014e-06 8.616184e-03 2.865086e-02 0.000485 0.000060 True native_MD 7 120 150 NE2_AB42_13 NZ_AB42_16 1 3.462204e-04 3.375589e-07 ; 3.148953e-01 8.877604e-02 6.646156e-03 1.691873e-02 0.000485 0.002166 True native_MD 7 120 151 NE2_AB42_13 C_AB42_16 1 4.692124e-04 5.731829e-07 ; 3.269545e-01 9.602530e-02 1.595343e-03 3.269105e-03 0.000485 0.002166 True native_MD 7 120 152 NE2_AB42_13 O_AB42_16 1 1.219998e-04 4.813479e-08 ; 2.708216e-01 7.730346e-02 8.907574e-04 3.196445e-03 0.000485 0.002166 True native_MD 7 120 153 NE2_AB42_13 N_AB42_17 1 6.074285e-04 7.869368e-07 ; 3.301724e-01 1.172170e-01 1.993028e-03 1.654992e-03 0.000485 0.002166 True native_MD 7 120 154 NE2_AB42_13 CA_AB42_17 1 9.244638e-04 2.241902e-06 ; 3.665398e-01 9.530225e-02 5.607210e-03 7.257383e-03 0.000485 0.001339 True native_MD 7 120 156 -NE2_AB42_13 CB_AB42_17 1 0.000000e+00 4.825000e-06 ; 3.212081e-01 -4.825000e-06 6.312683e-03 6.834685e-03 0.000485 0.000060 True native_MD 7 120 157 -NE2_AB42_13 CG_AB42_17 1 0.000000e+00 9.946443e-06 ; 3.411672e-01 -9.946443e-06 1.385901e-02 1.478024e-02 0.000485 0.000060 True native_MD 7 120 158 -NE2_AB42_13 CD1_AB42_17 1 0.000000e+00 3.606559e-06 ; 3.135110e-01 -3.606559e-06 1.053602e-02 1.282603e-02 0.000485 0.000060 True native_MD 7 120 159 -NE2_AB42_13 CD2_AB42_17 1 0.000000e+00 3.595373e-06 ; 3.134298e-01 -3.595373e-06 1.014010e-02 9.321516e-03 0.000485 0.000060 True native_MD 7 120 160 +NE2_AB42_13 CB_AB42_17 1 0.000000e+00 4.824916e-06 ; 3.212076e-01 -4.824916e-06 6.312683e-03 6.834685e-03 0.000485 0.000060 True native_MD 7 120 157 +NE2_AB42_13 CG_AB42_17 1 0.000000e+00 9.946385e-06 ; 3.411671e-01 -9.946385e-06 1.385901e-02 1.478024e-02 0.000485 0.000060 True native_MD 7 120 158 +NE2_AB42_13 CD1_AB42_17 1 0.000000e+00 3.606510e-06 ; 3.135106e-01 -3.606510e-06 1.053602e-02 1.282603e-02 0.000485 0.000060 True native_MD 7 120 159 +NE2_AB42_13 CD2_AB42_17 1 0.000000e+00 3.595324e-06 ; 3.134295e-01 -3.595324e-06 1.014010e-02 9.321516e-03 0.000485 0.000060 True native_MD 7 120 160 NE2_AB42_13 C_AB42_17 1 5.408949e-04 7.109216e-07 ; 3.309671e-01 1.028831e-01 2.720439e-03 4.540309e-03 0.000485 0.002166 True native_MD 7 120 161 NE2_AB42_13 O_AB42_17 1 8.190590e-05 1.825736e-08 ; 2.462373e-01 9.186125e-02 2.577289e-03 5.982299e-03 0.000485 0.002166 True native_MD 7 120 162 NE2_AB42_13 N_AB42_18 1 5.921399e-04 8.159693e-07 ; 3.335863e-01 1.074273e-01 1.584375e-03 2.308078e-03 0.000485 0.002166 True native_MD 7 120 163 -NE2_AB42_13 CA_AB42_18 1 0.000000e+00 1.001114e-05 ; 3.413516e-01 -1.001114e-05 4.058312e-03 1.149061e-02 0.000485 0.001339 True native_MD 7 120 165 -NE2_AB42_13 CB_AB42_18 1 0.000000e+00 1.000541e-05 ; 3.413353e-01 -1.000541e-05 6.153541e-03 1.300886e-02 0.000485 0.000060 True native_MD 7 120 166 -NE2_AB42_13 CG1_AB42_18 1 0.000000e+00 3.627726e-06 ; 3.136639e-01 -3.627726e-06 3.423581e-03 1.159605e-02 0.000485 0.000060 True native_MD 7 120 167 -NE2_AB42_13 CG2_AB42_18 1 0.000000e+00 3.613857e-06 ; 3.135638e-01 -3.613857e-06 5.737642e-03 1.005586e-02 0.000485 0.000060 True native_MD 7 120 168 +NE2_AB42_13 CA_AB42_18 1 0.000000e+00 1.001109e-05 ; 3.413515e-01 -1.001109e-05 4.058312e-03 1.149061e-02 0.000485 0.001339 True native_MD 7 120 165 +NE2_AB42_13 CB_AB42_18 1 0.000000e+00 1.000535e-05 ; 3.413352e-01 -1.000535e-05 6.153541e-03 1.300886e-02 0.000485 0.000060 True native_MD 7 120 166 +NE2_AB42_13 CG1_AB42_18 1 0.000000e+00 3.627677e-06 ; 3.136635e-01 -3.627677e-06 3.423581e-03 1.159605e-02 0.000485 0.000060 True native_MD 7 120 167 +NE2_AB42_13 CG2_AB42_18 1 0.000000e+00 3.613808e-06 ; 3.135634e-01 -3.613808e-06 5.737642e-03 1.005586e-02 0.000485 0.000060 True native_MD 7 120 168 NE2_AB42_13 C_AB42_18 1 3.564057e-04 3.840972e-07 ; 3.201961e-01 8.267767e-02 1.179817e-03 3.604658e-03 0.000485 0.002166 True native_MD 7 120 169 NE2_AB42_13 O_AB42_18 1 9.704965e-05 2.806683e-08 ; 2.571579e-01 8.389471e-02 1.396570e-03 4.114397e-03 0.000485 0.002166 True native_MD 7 120 170 NE2_AB42_13 N_AB42_19 1 5.846600e-04 1.104164e-06 ; 3.515780e-01 7.739501e-02 7.625940e-04 2.729016e-03 0.000485 0.002166 True native_MD 7 120 171 -NE2_AB42_13 CA_AB42_19 1 0.000000e+00 1.000191e-05 ; 3.413254e-01 -1.000191e-05 3.312102e-03 9.815074e-03 0.000485 0.001339 True native_MD 7 120 173 -NE2_AB42_13 CB_AB42_19 1 0.000000e+00 4.845282e-06 ; 3.213204e-01 -4.845282e-06 5.080795e-03 9.808490e-03 0.000485 0.000060 True native_MD 7 120 174 +NE2_AB42_13 CA_AB42_19 1 0.000000e+00 1.000185e-05 ; 3.413252e-01 -1.000185e-05 3.312102e-03 9.815074e-03 0.000485 0.001339 True native_MD 7 120 173 +NE2_AB42_13 CB_AB42_19 1 0.000000e+00 4.845198e-06 ; 3.213199e-01 -4.845198e-06 5.080795e-03 9.808490e-03 0.000485 0.000060 True native_MD 7 120 174 NE2_AB42_13 CG_AB42_19 1 7.898129e-04 1.262464e-06 ; 3.419394e-01 1.235291e-01 4.598443e-03 6.321380e-03 0.000485 0.003309 True native_MD 7 120 175 NE2_AB42_13 CD1_AB42_19 1 4.873661e-04 4.903505e-07 ; 3.165497e-01 1.211000e-01 5.720419e-03 8.456674e-03 0.000485 0.003309 True native_MD 7 120 176 NE2_AB42_13 CD2_AB42_19 1 4.873661e-04 4.903505e-07 ; 3.165497e-01 1.211000e-01 5.720419e-03 8.456674e-03 0.000485 0.003309 True native_MD 7 120 177 @@ -28564,7 +28564,7 @@ NE2_AB42_13 C_AB42_19 1 4.008279e-04 4.793540e-07 ; 3.257990e-01 8.379142 NE2_AB42_13 O_AB42_19 1 1.408161e-04 5.250159e-08 ; 2.682790e-01 9.442180e-02 1.528559e-03 3.286311e-03 0.000485 0.002166 True native_MD 7 120 182 NE2_AB42_13 N_AB42_20 1 3.938866e-04 4.559182e-07 ; 3.240306e-01 8.507372e-02 8.302952e-04 2.361281e-03 0.000485 0.002166 True native_MD 7 120 183 NE2_AB42_13 CA_AB42_20 1 7.584605e-04 1.857619e-06 ; 3.671447e-01 7.741932e-02 2.905579e-03 6.422209e-03 0.000485 0.001339 True native_MD 7 120 185 -NE2_AB42_13 CB_AB42_20 1 0.000000e+00 4.827820e-06 ; 3.212237e-01 -4.827820e-06 4.638542e-03 5.745171e-03 0.000485 0.000060 True native_MD 7 120 186 +NE2_AB42_13 CB_AB42_20 1 0.000000e+00 4.827736e-06 ; 3.212232e-01 -4.827736e-06 4.638542e-03 5.745171e-03 0.000485 0.000060 True native_MD 7 120 186 NE2_AB42_13 CG_AB42_20 1 7.570762e-04 1.059251e-06 ; 3.344336e-01 1.352759e-01 4.197806e-03 4.060269e-03 0.000485 0.003309 True native_MD 7 120 187 NE2_AB42_13 CD1_AB42_20 1 5.918761e-04 6.755156e-07 ; 3.232715e-01 1.296481e-01 4.995527e-03 5.718154e-03 0.000485 0.003309 True native_MD 7 120 188 NE2_AB42_13 CD2_AB42_20 1 5.918761e-04 6.755156e-07 ; 3.232715e-01 1.296481e-01 4.995527e-03 5.718154e-03 0.000485 0.003309 True native_MD 7 120 189 @@ -28574,28 +28574,28 @@ NE2_AB42_13 CZ_AB42_20 1 4.548560e-04 4.230572e-07 ; 3.124311e-01 1.222612 NE2_AB42_13 C_AB42_20 1 5.178965e-04 8.196914e-07 ; 3.413772e-01 8.180419e-02 7.873115e-04 2.469155e-03 0.000485 0.002166 True native_MD 7 120 193 NE2_AB42_13 O_AB42_20 1 8.682162e-05 2.284795e-08 ; 2.531453e-01 8.247999e-02 7.047716e-04 2.158007e-03 0.000485 0.002166 True native_MD 7 120 194 NE2_AB42_13 N_AB42_21 1 8.052933e-04 2.087508e-06 ; 3.706344e-01 7.766406e-02 6.101791e-04 1.403687e-03 0.000485 0.002166 True native_MD 7 120 195 -NE2_AB42_13 CA_AB42_21 1 0.000000e+00 9.985329e-06 ; 3.412782e-01 -9.985329e-06 1.229304e-03 6.063761e-03 0.000485 0.001339 True native_MD 7 120 197 -NE2_AB42_13 CB_AB42_21 1 0.000000e+00 3.615985e-06 ; 3.135792e-01 -3.615985e-06 1.097851e-03 6.007325e-03 0.000485 0.000060 True native_MD 7 120 198 +NE2_AB42_13 CA_AB42_21 1 0.000000e+00 9.985272e-06 ; 3.412780e-01 -9.985272e-06 1.229304e-03 6.063761e-03 0.000485 0.001339 True native_MD 7 120 197 +NE2_AB42_13 CB_AB42_21 1 0.000000e+00 3.615935e-06 ; 3.135788e-01 -3.615935e-06 1.097851e-03 6.007325e-03 0.000485 0.000060 True native_MD 7 120 198 NE2_AB42_13 C_AB42_21 1 3.321276e-04 3.495780e-07 ; 3.189382e-01 7.888710e-02 6.329258e-04 1.332300e-03 0.000485 0.002166 True native_MD 7 120 199 NE2_AB42_13 O_AB42_21 1 1.370932e-04 6.327846e-08 ; 2.779969e-01 7.425333e-02 5.509717e-04 1.500268e-03 0.000485 0.002166 True native_MD 7 120 200 NE2_AB42_13 N_AB42_22 1 2.625022e-04 2.171635e-07 ; 3.063908e-01 7.932662e-02 6.413058e-04 6.054318e-04 0.000485 0.002166 True native_MD 7 120 201 NE2_AB42_13 CA_AB42_22 1 4.759729e-04 7.019678e-07 ; 3.373825e-01 8.068397e-02 1.154083e-03 2.313445e-03 0.000485 0.001339 True native_MD 7 120 203 -NE2_AB42_13 CB_AB42_22 1 0.000000e+00 4.825535e-06 ; 3.212110e-01 -4.825535e-06 1.279430e-03 1.912424e-03 0.000485 0.000060 True native_MD 7 120 204 -NE2_AB42_13 CG_AB42_22 1 0.000000e+00 4.821161e-06 ; 3.211868e-01 -4.821161e-06 3.219028e-03 2.945020e-03 0.000485 0.000060 True native_MD 7 120 205 +NE2_AB42_13 CB_AB42_22 1 0.000000e+00 4.825452e-06 ; 3.212106e-01 -4.825452e-06 1.279430e-03 1.912424e-03 0.000485 0.000060 True native_MD 7 120 204 +NE2_AB42_13 CG_AB42_22 1 0.000000e+00 4.821078e-06 ; 3.211863e-01 -4.821078e-06 3.219028e-03 2.945020e-03 0.000485 0.000060 True native_MD 7 120 205 NE2_AB42_13 CD_AB42_22 1 3.153488e-04 2.149399e-07 ; 2.966568e-01 1.156659e-01 2.638153e-03 3.003394e-03 0.000485 0.002166 True native_MD 7 120 206 NE2_AB42_13 OE1_AB42_22 1 9.701967e-05 2.014868e-08 ; 2.433499e-01 1.167920e-01 2.293790e-03 2.524903e-03 0.000485 0.002166 True native_MD 7 120 207 NE2_AB42_13 OE2_AB42_22 1 9.701967e-05 2.014868e-08 ; 2.433499e-01 1.167920e-01 2.293790e-03 2.524903e-03 0.000485 0.002166 True native_MD 7 120 208 NE2_AB42_13 C_AB42_22 1 4.812496e-04 7.536148e-07 ; 3.407714e-01 7.683008e-02 5.951390e-04 5.663547e-04 0.000485 0.002166 True native_MD 7 120 209 NE2_AB42_13 O_AB42_22 1 8.469462e-05 2.293935e-08 ; 2.543632e-01 7.817547e-02 6.195894e-04 9.353301e-04 0.000485 0.002166 True native_MD 7 120 210 NE2_AB42_13 CA_AB42_23 1 1.060126e-03 2.890548e-06 ; 3.737694e-01 9.720193e-02 1.308910e-03 1.600492e-03 0.000485 0.001339 True native_MD 7 120 213 -NE2_AB42_13 CB_AB42_23 1 0.000000e+00 4.824999e-06 ; 3.212081e-01 -4.824999e-06 1.784141e-03 2.306001e-03 0.000485 0.000060 True native_MD 7 120 214 +NE2_AB42_13 CB_AB42_23 1 0.000000e+00 4.824916e-06 ; 3.212076e-01 -4.824916e-06 1.784141e-03 2.306001e-03 0.000485 0.000060 True native_MD 7 120 214 NE2_AB42_13 CG_AB42_23 1 2.177035e-04 1.151884e-07 ; 2.843963e-01 1.028637e-01 1.297087e-03 1.733184e-03 0.000485 0.002166 True native_MD 7 120 215 NE2_AB42_13 OD1_AB42_23 1 7.503531e-05 1.701734e-08 ; 2.469473e-01 8.271413e-02 7.097273e-04 1.348658e-03 0.000485 0.002166 True native_MD 7 120 216 NE2_AB42_13 OD2_AB42_23 1 7.503531e-05 1.701734e-08 ; 2.469473e-01 8.271413e-02 7.097273e-04 1.348658e-03 0.000485 0.002166 True native_MD 7 120 217 NE2_AB42_13 CA_AB42_24 1 1.829339e-03 7.381440e-06 ; 3.990015e-01 1.133411e-01 1.774759e-03 1.182238e-03 0.000485 0.001339 True native_MD 7 120 222 -NE2_AB42_13 CB_AB42_24 1 0.000000e+00 9.926748e-06 ; 3.411109e-01 -9.926748e-06 2.985869e-03 1.925267e-03 0.000485 0.000060 True native_MD 7 120 223 -NE2_AB42_13 CG1_AB42_24 1 0.000000e+00 3.595573e-06 ; 3.134313e-01 -3.595573e-06 2.357704e-03 1.594542e-03 0.000485 0.000060 True native_MD 7 120 224 -NE2_AB42_13 CG2_AB42_24 1 0.000000e+00 3.594373e-06 ; 3.134226e-01 -3.594373e-06 2.627580e-03 1.530934e-03 0.000485 0.000060 True native_MD 7 120 225 +NE2_AB42_13 CB_AB42_24 1 0.000000e+00 9.926691e-06 ; 3.411107e-01 -9.926691e-06 2.985869e-03 1.925267e-03 0.000485 0.000060 True native_MD 7 120 223 +NE2_AB42_13 CG1_AB42_24 1 0.000000e+00 3.595524e-06 ; 3.134309e-01 -3.595524e-06 2.357704e-03 1.594542e-03 0.000485 0.000060 True native_MD 7 120 224 +NE2_AB42_13 CG2_AB42_24 1 0.000000e+00 3.594324e-06 ; 3.134222e-01 -3.594324e-06 2.627580e-03 1.530934e-03 0.000485 0.000060 True native_MD 7 120 225 NE2_AB42_13 C_AB42_24 1 4.361141e-04 5.377082e-07 ; 3.274596e-01 8.842877e-02 8.420982e-04 8.704372e-04 0.000485 0.002166 True native_MD 7 120 226 NE2_AB42_13 O_AB42_24 1 1.048406e-04 3.079638e-08 ; 2.578270e-01 8.922763e-02 8.624726e-04 1.154568e-03 0.000485 0.002166 True native_MD 7 120 227 NE2_AB42_13 N_AB42_25 1 5.716260e-04 1.049538e-06 ; 3.499299e-01 7.783338e-02 6.132788e-04 8.106079e-04 0.000485 0.002166 True native_MD 7 120 228 @@ -28604,20 +28604,20 @@ NE2_AB42_13 C_AB42_25 1 6.505708e-04 1.104055e-06 ; 3.453685e-01 9.583816 NE2_AB42_13 O_AB42_25 1 1.774452e-04 9.094090e-08 ; 2.828889e-01 8.655841e-02 7.962588e-04 1.545890e-03 0.000485 0.002166 True native_MD 7 120 232 NE2_AB42_13 N_AB42_26 1 5.569787e-04 1.087384e-06 ; 3.535282e-01 7.132375e-02 5.047246e-04 5.363500e-04 0.000485 0.002166 True native_MD 7 120 233 NE2_AB42_13 CA_AB42_26 1 1.250365e-03 4.311027e-06 ; 3.886786e-01 9.066359e-02 1.397629e-03 2.078319e-03 0.000485 0.001339 True native_MD 7 120 235 -NE2_AB42_13 CB_AB42_26 1 0.000000e+00 4.827505e-06 ; 3.212220e-01 -4.827505e-06 1.007888e-03 2.049197e-03 0.000485 0.000060 True native_MD 7 120 236 +NE2_AB42_13 CB_AB42_26 1 0.000000e+00 4.827421e-06 ; 3.212215e-01 -4.827421e-06 1.007888e-03 2.049197e-03 0.000485 0.000060 True native_MD 7 120 236 NE2_AB42_13 OG_AB42_26 1 1.147929e-04 3.732792e-08 ; 2.622325e-01 8.825436e-02 8.377145e-04 1.491947e-03 0.000485 0.002166 True native_MD 7 120 237 NE2_AB42_13 CA_AB42_27 1 1.976118e-03 8.921188e-06 ; 4.065385e-01 1.094316e-01 1.578811e-03 9.680565e-04 0.000485 0.001339 True native_MD 7 120 242 -NE2_AB42_13 CB_AB42_27 1 0.000000e+00 4.819561e-06 ; 3.211779e-01 -4.819561e-06 1.678213e-03 1.072320e-03 0.000485 0.000060 True native_MD 7 120 243 +NE2_AB42_13 CB_AB42_27 1 0.000000e+00 4.819477e-06 ; 3.211774e-01 -4.819477e-06 1.678213e-03 1.072320e-03 0.000485 0.000060 True native_MD 7 120 243 NE2_AB42_13 CG_AB42_27 1 5.546763e-04 6.923731e-07 ; 3.281331e-01 1.110910e-01 1.659192e-03 1.370305e-03 0.000485 0.002166 True native_MD 7 120 244 NE2_AB42_13 OD1_AB42_27 1 9.637495e-05 2.659943e-08 ; 2.551632e-01 8.729633e-02 8.140383e-04 1.230203e-03 0.000485 0.002166 True native_MD 7 120 245 NE2_AB42_13 ND2_AB42_27 1 4.414587e-04 4.150067e-07 ; 3.129879e-01 1.173992e-01 2.003926e-03 1.671904e-03 0.000485 0.002166 True native_MD 7 120 246 NE2_AB42_13 C_AB42_27 1 9.595017e-04 2.591996e-06 ; 3.731912e-01 8.879676e-02 8.514230e-04 3.338106e-04 0.000485 0.002166 True native_MD 7 120 247 NE2_AB42_13 O_AB42_27 1 1.816243e-04 8.862251e-08 ; 2.805832e-01 9.305591e-02 9.671640e-04 5.470479e-04 0.000485 0.002166 True native_MD 7 120 248 NE2_AB42_13 CA_AB42_28 1 1.142640e-03 3.128699e-06 ; 3.740322e-01 1.043267e-01 1.355134e-03 1.007557e-03 0.000485 0.001339 True native_MD 7 120 251 -NE2_AB42_13 CB_AB42_28 1 0.000000e+00 4.819420e-06 ; 3.211771e-01 -4.819420e-06 1.502336e-03 8.671568e-04 0.000485 0.000060 True native_MD 7 120 252 -NE2_AB42_13 CG_AB42_28 1 0.000000e+00 4.821947e-06 ; 3.211911e-01 -4.821947e-06 1.127099e-03 1.016038e-03 0.000485 0.000060 True native_MD 7 120 253 -NE2_AB42_13 CD_AB42_28 1 0.000000e+00 4.820903e-06 ; 3.211853e-01 -4.820903e-06 1.332516e-03 1.004979e-03 0.000485 0.000060 True native_MD 7 120 254 -NE2_AB42_13 CE_AB42_28 1 0.000000e+00 4.821719e-06 ; 3.211899e-01 -4.821719e-06 1.686849e-03 1.528490e-03 0.000485 0.000060 True native_MD 7 120 255 +NE2_AB42_13 CB_AB42_28 1 0.000000e+00 4.819336e-06 ; 3.211766e-01 -4.819336e-06 1.502336e-03 8.671568e-04 0.000485 0.000060 True native_MD 7 120 252 +NE2_AB42_13 CG_AB42_28 1 0.000000e+00 4.821864e-06 ; 3.211907e-01 -4.821864e-06 1.127099e-03 1.016038e-03 0.000485 0.000060 True native_MD 7 120 253 +NE2_AB42_13 CD_AB42_28 1 0.000000e+00 4.820820e-06 ; 3.211849e-01 -4.820820e-06 1.332516e-03 1.004979e-03 0.000485 0.000060 True native_MD 7 120 254 +NE2_AB42_13 CE_AB42_28 1 0.000000e+00 4.821635e-06 ; 3.211894e-01 -4.821635e-06 1.686849e-03 1.528490e-03 0.000485 0.000060 True native_MD 7 120 255 NE2_AB42_13 NZ_AB42_28 1 4.261492e-04 5.538039e-07 ; 3.303435e-01 8.197991e-02 6.943030e-04 1.385634e-03 0.000485 0.002166 True native_MD 7 120 256 NE2_AB42_13 C_AB42_28 1 1.056153e-03 2.832635e-06 ; 3.727440e-01 9.844703e-02 1.136493e-03 6.091721e-04 0.000485 0.002166 True native_MD 7 120 257 NE2_AB42_13 O_AB42_28 1 1.125498e-04 3.368193e-08 ; 2.586279e-01 9.402265e-02 9.955533e-04 5.291961e-04 0.000485 0.002166 True native_MD 7 120 258 @@ -28627,23 +28627,23 @@ NE2_AB42_13 C_AB42_29 1 5.441647e-04 6.331432e-07 ; 3.243112e-01 1.169227 NE2_AB42_13 O_AB42_29 1 1.160682e-04 3.219547e-08 ; 2.553761e-01 1.046096e-01 1.366656e-03 8.230636e-04 0.000485 0.002166 True native_MD 7 120 263 NE2_AB42_13 N_AB42_30 1 7.091418e-04 1.262885e-06 ; 3.481543e-01 9.955027e-02 1.174641e-03 1.643884e-04 0.000485 0.002166 True native_MD 7 120 264 NE2_AB42_13 CA_AB42_30 1 1.782350e-03 5.851634e-06 ; 3.855204e-01 1.357216e-01 4.384302e-03 1.692843e-03 0.000485 0.001339 True native_MD 7 120 266 -NE2_AB42_13 CB_AB42_30 1 0.000000e+00 3.591007e-06 ; 3.133981e-01 -3.591007e-06 3.547288e-03 1.515350e-03 0.000485 0.000060 True native_MD 7 120 267 +NE2_AB42_13 CB_AB42_30 1 0.000000e+00 3.590958e-06 ; 3.133977e-01 -3.590958e-06 3.547288e-03 1.515350e-03 0.000485 0.000060 True native_MD 7 120 267 NE2_AB42_13 C_AB42_30 1 7.243644e-04 1.074660e-06 ; 3.377165e-01 1.220627e-01 2.304052e-03 5.475981e-04 0.000485 0.002166 True native_MD 7 120 268 NE2_AB42_13 O_AB42_30 1 1.504784e-04 4.715418e-08 ; 2.606199e-01 1.200517e-01 2.169479e-03 6.275529e-04 0.000485 0.002166 True native_MD 7 120 269 NE2_AB42_13 N_AB42_31 1 8.747519e-04 2.079680e-06 ; 3.653299e-01 9.198420e-02 9.366374e-04 5.158029e-05 0.000485 0.002166 True native_MD 7 120 270 NE2_AB42_13 CA_AB42_31 1 1.993167e-03 6.170265e-06 ; 3.817626e-01 1.609621e-01 7.379965e-03 6.356218e-04 0.000485 0.001339 True native_MD 7 120 272 -NE2_AB42_13 CB_AB42_31 1 0.000000e+00 9.890112e-06 ; 3.410058e-01 -9.890112e-06 5.705119e-03 9.577442e-04 0.000485 0.000060 True native_MD 7 120 273 -NE2_AB42_13 CG1_AB42_31 1 0.000000e+00 4.805144e-06 ; 3.210977e-01 -4.805144e-06 4.434016e-03 8.385116e-04 0.000485 0.000060 True native_MD 7 120 274 -NE2_AB42_13 CG2_AB42_31 1 0.000000e+00 3.583296e-06 ; 3.133420e-01 -3.583296e-06 5.289859e-03 1.114789e-03 0.000485 0.000060 True native_MD 7 120 275 -NE2_AB42_13 CD_AB42_31 1 0.000000e+00 3.582914e-06 ; 3.133392e-01 -3.582914e-06 5.766553e-03 1.485450e-03 0.000485 0.000060 True native_MD 7 120 276 +NE2_AB42_13 CB_AB42_31 1 0.000000e+00 9.890055e-06 ; 3.410056e-01 -9.890055e-06 5.705119e-03 9.577442e-04 0.000485 0.000060 True native_MD 7 120 273 +NE2_AB42_13 CG1_AB42_31 1 0.000000e+00 4.805060e-06 ; 3.210972e-01 -4.805060e-06 4.434016e-03 8.385116e-04 0.000485 0.000060 True native_MD 7 120 274 +NE2_AB42_13 CG2_AB42_31 1 0.000000e+00 3.583247e-06 ; 3.133416e-01 -3.583247e-06 5.289859e-03 1.114789e-03 0.000485 0.000060 True native_MD 7 120 275 +NE2_AB42_13 CD_AB42_31 1 0.000000e+00 3.582865e-06 ; 3.133388e-01 -3.582865e-06 5.766553e-03 1.485450e-03 0.000485 0.000060 True native_MD 7 120 276 NE2_AB42_13 C_AB42_31 1 8.880373e-04 1.538244e-06 ; 3.465498e-01 1.281673e-01 2.765867e-03 7.524055e-05 0.000485 0.002166 True native_MD 7 120 277 NE2_AB42_13 O_AB42_31 1 2.048923e-04 7.089148e-08 ; 2.649586e-01 1.480462e-01 5.014074e-03 3.127677e-04 0.000485 0.002166 True native_MD 7 120 278 NE2_AB42_13 N_AB42_32 1 1.089343e-03 3.179083e-06 ; 3.780270e-01 9.331845e-02 9.747926e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 120 279 NE2_AB42_13 CA_AB42_32 1 1.749640e-03 5.846622e-06 ; 3.866572e-01 1.308978e-01 3.001360e-03 5.164508e-04 0.000485 0.001339 True native_MD 7 120 281 -NE2_AB42_13 CB_AB42_32 1 0.000000e+00 9.908231e-06 ; 3.410578e-01 -9.908231e-06 3.777074e-03 8.530433e-04 0.000485 0.000060 True native_MD 7 120 282 -NE2_AB42_13 CG1_AB42_32 1 0.000000e+00 4.813124e-06 ; 3.211421e-01 -4.813124e-06 2.956277e-03 1.015636e-03 0.000485 0.000060 True native_MD 7 120 283 -NE2_AB42_13 CG2_AB42_32 1 0.000000e+00 3.589207e-06 ; 3.133850e-01 -3.589207e-06 3.235047e-03 7.027953e-04 0.000485 0.000060 True native_MD 7 120 284 -NE2_AB42_13 CD_AB42_32 1 0.000000e+00 3.589932e-06 ; 3.133903e-01 -3.589932e-06 3.786823e-03 1.456017e-03 0.000485 0.000060 True native_MD 7 120 285 +NE2_AB42_13 CB_AB42_32 1 0.000000e+00 9.908174e-06 ; 3.410577e-01 -9.908174e-06 3.777074e-03 8.530433e-04 0.000485 0.000060 True native_MD 7 120 282 +NE2_AB42_13 CG1_AB42_32 1 0.000000e+00 4.813041e-06 ; 3.211416e-01 -4.813041e-06 2.956277e-03 1.015636e-03 0.000485 0.000060 True native_MD 7 120 283 +NE2_AB42_13 CG2_AB42_32 1 0.000000e+00 3.589158e-06 ; 3.133846e-01 -3.589158e-06 3.235047e-03 7.027953e-04 0.000485 0.000060 True native_MD 7 120 284 +NE2_AB42_13 CD_AB42_32 1 0.000000e+00 3.589883e-06 ; 3.133899e-01 -3.589883e-06 3.786823e-03 1.456017e-03 0.000485 0.000060 True native_MD 7 120 285 NE2_AB42_13 C_AB42_32 1 7.606756e-04 1.296493e-06 ; 3.456170e-01 1.115755e-01 1.683420e-03 3.468196e-04 0.000485 0.002166 True native_MD 7 120 286 NE2_AB42_13 O_AB42_32 1 1.366065e-04 4.436418e-08 ; 2.621763e-01 1.051599e-01 1.389352e-03 4.172306e-04 0.000485 0.002166 True native_MD 7 120 287 NE2_AB42_13 N_AB42_33 1 6.425997e-04 9.014999e-07 ; 3.345832e-01 1.145131e-01 1.838115e-03 2.491010e-04 0.000485 0.002166 True native_MD 7 120 288 @@ -28654,8 +28654,8 @@ NE2_AB42_13 N_AB42_34 1 7.196143e-04 1.120499e-06 ; 3.404489e-01 1.155388 NE2_AB42_13 CA_AB42_34 1 1.716795e-03 4.826746e-06 ; 3.756840e-01 1.526590e-01 5.756280e-03 7.867772e-04 0.000485 0.001339 True native_MD 7 120 295 NE2_AB42_13 CB_AB42_34 1 6.085691e-04 1.032312e-06 ; 3.453426e-01 8.969098e-02 5.601964e-03 3.825222e-04 0.000485 0.000060 True native_MD 7 120 296 NE2_AB42_13 CG_AB42_34 1 1.158425e-03 4.232723e-06 ; 3.924569e-01 7.926034e-02 1.069779e-02 9.980997e-04 0.000485 0.000060 True native_MD 7 120 297 -NE2_AB42_13 CD1_AB42_34 1 0.000000e+00 3.571146e-06 ; 3.132533e-01 -3.571146e-06 8.701814e-03 1.150169e-03 0.000485 0.000060 True native_MD 7 120 298 -NE2_AB42_13 CD2_AB42_34 1 0.000000e+00 3.574259e-06 ; 3.132760e-01 -3.574259e-06 7.764701e-03 1.078298e-03 0.000485 0.000060 True native_MD 7 120 299 +NE2_AB42_13 CD1_AB42_34 1 0.000000e+00 3.571097e-06 ; 3.132529e-01 -3.571097e-06 8.701814e-03 1.150169e-03 0.000485 0.000060 True native_MD 7 120 298 +NE2_AB42_13 CD2_AB42_34 1 0.000000e+00 3.574210e-06 ; 3.132757e-01 -3.574210e-06 7.764701e-03 1.078298e-03 0.000485 0.000060 True native_MD 7 120 299 NE2_AB42_13 C_AB42_34 1 6.895856e-04 8.795349e-07 ; 3.293145e-01 1.351647e-01 3.410153e-03 1.500224e-04 0.000485 0.002166 True native_MD 7 120 300 NE2_AB42_13 O_AB42_34 1 1.678681e-04 5.222157e-08 ; 2.603037e-01 1.349044e-01 3.383698e-03 3.156092e-04 0.000485 0.002166 True native_MD 7 120 301 NE2_AB42_13 N_AB42_35 1 7.332905e-04 1.150841e-06 ; 3.408970e-01 1.168091e-01 1.968848e-03 4.997861e-05 0.000485 0.002166 True native_MD 7 120 302 @@ -28669,7 +28669,7 @@ NE2_AB42_13 O_AB42_35 1 2.092331e-04 7.268890e-08 ; 2.651386e-01 1.505681 NE2_AB42_13 N_AB42_36 1 1.104110e-03 2.478327e-06 ; 3.618465e-01 1.229718e-01 2.367596e-03 1.139960e-04 0.000485 0.002166 True native_MD 7 120 311 NE2_AB42_13 CA_AB42_36 1 1.990856e-03 6.017602e-06 ; 3.802454e-01 1.646631e-01 8.244312e-03 6.338812e-04 0.000485 0.001339 True native_MD 7 120 313 NE2_AB42_13 CB_AB42_36 1 9.195222e-04 2.450457e-06 ; 3.723467e-01 8.626159e-02 1.007616e-02 7.623985e-04 0.000485 0.000060 True native_MD 7 120 314 -NE2_AB42_13 CG1_AB42_36 1 0.000000e+00 3.574203e-06 ; 3.132756e-01 -3.574203e-06 7.648355e-03 9.463354e-04 0.000485 0.000060 True native_MD 7 120 315 +NE2_AB42_13 CG1_AB42_36 1 0.000000e+00 3.574154e-06 ; 3.132753e-01 -3.574154e-06 7.648355e-03 9.463354e-04 0.000485 0.000060 True native_MD 7 120 315 NE2_AB42_13 CG2_AB42_36 1 3.927589e-04 4.826903e-07 ; 3.272832e-01 7.989573e-02 7.362536e-03 6.739835e-04 0.000485 0.000060 True native_MD 7 120 316 NE2_AB42_13 C_AB42_36 1 1.155039e-03 2.374475e-06 ; 3.565840e-01 1.404641e-01 3.996217e-03 3.199826e-04 0.000485 0.002166 True native_MD 7 120 317 NE2_AB42_13 O_AB42_36 1 1.985265e-04 7.163798e-08 ; 2.668215e-01 1.375414e-01 3.661540e-03 3.338229e-04 0.000485 0.002166 True native_MD 7 120 318 @@ -28684,74 +28684,74 @@ NE2_AB42_13 O_AB42_38 1 2.162865e-04 7.856875e-08 ; 2.671182e-01 1.488500 NE2_AB42_13 N_AB42_39 1 8.335314e-04 1.209353e-06 ; 3.364639e-01 1.436253e-01 4.392716e-03 1.253545e-04 0.000485 0.002166 True native_MD 7 120 329 NE2_AB42_13 CA_AB42_39 1 2.609275e-03 1.024458e-05 ; 3.971876e-01 1.661445e-01 8.618024e-03 8.116382e-04 0.000485 0.001339 True native_MD 7 120 331 NE2_AB42_13 CB_AB42_39 1 1.142550e-03 3.674888e-06 ; 3.842036e-01 8.880685e-02 1.069504e-02 7.498759e-04 0.000485 0.000060 True native_MD 7 120 332 -NE2_AB42_13 CG1_AB42_39 1 0.000000e+00 3.577552e-06 ; 3.133001e-01 -3.577552e-06 6.690009e-03 9.186379e-04 0.000485 0.000060 True native_MD 7 120 333 +NE2_AB42_13 CG1_AB42_39 1 0.000000e+00 3.577503e-06 ; 3.132997e-01 -3.577503e-06 6.690009e-03 9.186379e-04 0.000485 0.000060 True native_MD 7 120 333 NE2_AB42_13 CG2_AB42_39 1 4.548021e-04 6.013472e-07 ; 3.312967e-01 8.599231e-02 9.952926e-03 7.591673e-04 0.000485 0.000060 True native_MD 7 120 334 NE2_AB42_13 C_AB42_39 1 6.224151e-04 9.501065e-07 ; 3.393246e-01 1.019361e-01 1.261574e-03 2.057438e-04 0.000485 0.002166 True native_MD 7 120 335 NE2_AB42_13 O_AB42_39 1 1.098929e-04 2.931118e-08 ; 2.537137e-01 1.030021e-01 1.302471e-03 3.434131e-04 0.000485 0.002166 True native_MD 7 120 336 NE2_AB42_13 N_AB42_40 1 1.162169e-03 3.517093e-06 ; 3.803229e-01 9.600512e-02 1.056404e-03 1.010324e-04 0.000485 0.002166 True native_MD 7 120 337 NE2_AB42_13 CA_AB42_40 1 1.840335e-03 6.271924e-06 ; 3.879276e-01 1.349997e-01 3.393356e-03 6.953618e-04 0.000485 0.001339 True native_MD 7 120 339 -NE2_AB42_13 CB_AB42_40 1 0.000000e+00 9.891778e-06 ; 3.410106e-01 -9.891778e-06 5.384282e-03 8.045724e-04 0.000485 0.000060 True native_MD 7 120 340 -NE2_AB42_13 CG1_AB42_40 1 0.000000e+00 3.588901e-06 ; 3.133828e-01 -3.588901e-06 3.395856e-03 7.784095e-04 0.000485 0.000060 True native_MD 7 120 341 -NE2_AB42_13 CG2_AB42_40 1 0.000000e+00 3.585468e-06 ; 3.133578e-01 -3.585468e-06 4.166838e-03 5.954360e-04 0.000485 0.000060 True native_MD 7 120 342 +NE2_AB42_13 CB_AB42_40 1 0.000000e+00 9.891721e-06 ; 3.410104e-01 -9.891721e-06 5.384282e-03 8.045724e-04 0.000485 0.000060 True native_MD 7 120 340 +NE2_AB42_13 CG1_AB42_40 1 0.000000e+00 3.588852e-06 ; 3.133824e-01 -3.588852e-06 3.395856e-03 7.784095e-04 0.000485 0.000060 True native_MD 7 120 341 +NE2_AB42_13 CG2_AB42_40 1 0.000000e+00 3.585419e-06 ; 3.133574e-01 -3.585419e-06 4.166838e-03 5.954360e-04 0.000485 0.000060 True native_MD 7 120 342 NE2_AB42_13 C_AB42_40 1 5.934815e-04 8.665836e-07 ; 3.368221e-01 1.016117e-01 1.249388e-03 8.613723e-05 0.000485 0.002166 True native_MD 7 120 343 NE2_AB42_13 O_AB42_40 1 1.707128e-04 6.854090e-08 ; 2.716110e-01 1.062973e-01 1.437454e-03 1.999736e-04 0.000485 0.002166 True native_MD 7 120 344 NE2_AB42_13 N_AB42_41 1 2.901831e-04 2.291038e-07 ; 3.040138e-01 9.188656e-02 9.339044e-04 7.047958e-05 0.000485 0.002166 True native_MD 7 120 345 NE2_AB42_13 CA_AB42_41 1 1.674058e-03 5.354080e-06 ; 3.838419e-01 1.308567e-01 2.997672e-03 6.573075e-04 0.000485 0.001339 True native_MD 7 120 347 -NE2_AB42_13 CB_AB42_41 1 0.000000e+00 9.909728e-06 ; 3.410621e-01 -9.909728e-06 3.542563e-03 7.691522e-04 0.000485 0.000060 True native_MD 7 120 348 -NE2_AB42_13 CG1_AB42_41 1 0.000000e+00 4.809606e-06 ; 3.211225e-01 -4.809606e-06 3.231999e-03 5.618685e-04 0.000485 0.000060 True native_MD 7 120 349 -NE2_AB42_13 CG2_AB42_41 1 0.000000e+00 3.590958e-06 ; 3.133977e-01 -3.590958e-06 2.857258e-03 8.115934e-04 0.000485 0.000060 True native_MD 7 120 350 -NE2_AB42_13 CD_AB42_41 1 0.000000e+00 3.587794e-06 ; 3.133747e-01 -3.587794e-06 3.674274e-03 7.493422e-04 0.000485 0.000060 True native_MD 7 120 351 +NE2_AB42_13 CB_AB42_41 1 0.000000e+00 9.909671e-06 ; 3.410619e-01 -9.909671e-06 3.542563e-03 7.691522e-04 0.000485 0.000060 True native_MD 7 120 348 +NE2_AB42_13 CG1_AB42_41 1 0.000000e+00 4.809523e-06 ; 3.211221e-01 -4.809523e-06 3.231999e-03 5.618685e-04 0.000485 0.000060 True native_MD 7 120 349 +NE2_AB42_13 CG2_AB42_41 1 0.000000e+00 3.590909e-06 ; 3.133974e-01 -3.590909e-06 2.857258e-03 8.115934e-04 0.000485 0.000060 True native_MD 7 120 350 +NE2_AB42_13 CD_AB42_41 1 0.000000e+00 3.587745e-06 ; 3.133744e-01 -3.587745e-06 3.674274e-03 7.493422e-04 0.000485 0.000060 True native_MD 7 120 351 NE2_AB42_13 C_AB42_41 1 9.147214e-04 1.757611e-06 ; 3.525919e-01 1.190132e-01 2.103091e-03 2.505294e-04 0.000485 0.002166 True native_MD 7 120 352 NE2_AB42_13 O_AB42_41 1 1.535184e-04 5.007540e-08 ; 2.623679e-01 1.176620e-01 2.019749e-03 3.217014e-04 0.000485 0.002166 True native_MD 7 120 353 NE2_AB42_13 N_AB42_42 1 4.015030e-04 4.277738e-07 ; 3.195859e-01 9.421141e-02 1.001193e-03 1.909240e-04 0.000485 0.002166 True native_MD 7 120 354 NE2_AB42_13 CA_AB42_42 1 1.156172e-03 2.368231e-06 ; 3.563693e-01 1.411110e-01 4.420629e-03 1.452634e-03 0.000485 0.001339 True native_MD 7 120 356 -NE2_AB42_13 CB_AB42_42 1 0.000000e+00 3.586217e-06 ; 3.133632e-01 -3.586217e-06 4.243127e-03 8.799672e-04 0.000485 0.000060 True native_MD 7 120 357 +NE2_AB42_13 CB_AB42_42 1 0.000000e+00 3.586168e-06 ; 3.133629e-01 -3.586168e-06 4.243127e-03 8.799672e-04 0.000485 0.000060 True native_MD 7 120 357 NE2_AB42_13 C_AB42_42 1 3.043818e-04 2.120066e-07 ; 2.977294e-01 1.092516e-01 1.570329e-03 1.282770e-03 0.000485 0.002166 True native_MD 7 120 358 NE2_AB42_13 O1_AB42_42 1 9.942257e-05 2.686281e-08 ; 2.542598e-01 9.199380e-02 9.369065e-04 7.859952e-04 0.000485 0.002166 True native_MD 7 120 359 NE2_AB42_13 O2_AB42_42 1 9.942257e-05 2.686281e-08 ; 2.542598e-01 9.199380e-02 9.369065e-04 7.859952e-04 0.000485 0.002166 True native_MD 7 120 360 - C_AB42_13 CB_AB42_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 126 - C_AB42_13 CG_AB42_14 1 0.000000e+00 2.693556e-06 ; 3.059770e-01 -2.693556e-06 9.137757e-01 9.503289e-01 0.000485 0.000060 True native_MD 4 121 127 - C_AB42_13 ND1_AB42_14 1 0.000000e+00 2.170933e-06 ; 3.005261e-01 -2.170933e-06 4.581663e-01 5.554446e-01 0.000485 0.000060 True native_MD 5 121 128 - C_AB42_13 CD2_AB42_14 1 0.000000e+00 2.825370e-06 ; 3.071977e-01 -2.825370e-06 5.049078e-01 5.921867e-01 0.000485 0.000060 True native_MD 5 121 129 - C_AB42_13 CE1_AB42_14 1 0.000000e+00 2.749351e-06 ; 3.065003e-01 -2.749351e-06 1.471054e-01 2.051299e-01 0.000485 0.000060 True native_MD 6 121 130 - C_AB42_13 NE2_AB42_14 1 0.000000e+00 1.989581e-06 ; 2.983494e-01 -1.989581e-06 1.288724e-01 1.344878e-01 0.000485 0.000060 True native_MD 6 121 131 - C_AB42_13 O_AB42_14 1 0.000000e+00 7.836412e-07 ; 2.760608e-01 -7.836412e-07 8.639111e-01 8.115476e-01 0.000485 0.000060 True native_MD 4 121 133 - C_AB42_13 N_AB42_15 1 0.000000e+00 1.523660e-06 ; 2.917891e-01 -1.523660e-06 9.627578e-01 9.730429e-01 0.000485 0.000060 True native_MD 4 121 134 - C_AB42_13 CA_AB42_15 1 0.000000e+00 1.289688e-05 ; 3.486332e-01 -1.289688e-05 8.701900e-01 8.583156e-01 0.000485 0.000060 True native_MD 5 121 136 - C_AB42_13 CB_AB42_15 1 0.000000e+00 6.277154e-06 ; 3.283285e-01 -6.277154e-06 2.597356e-01 2.507669e-01 0.000485 0.000060 True native_MD 6 121 137 - C_AB42_13 CG_AB42_15 1 0.000000e+00 6.710974e-06 ; 3.301620e-01 -6.710974e-06 1.433476e-01 2.028701e-01 0.000485 0.000060 True native_MD 7 121 138 + C_AB42_13 CB_AB42_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 126 + C_AB42_13 CG_AB42_14 1 0.000000e+00 2.693508e-06 ; 3.059766e-01 -2.693508e-06 9.137757e-01 9.503289e-01 0.000485 0.000060 True native_MD 4 121 127 + C_AB42_13 ND1_AB42_14 1 0.000000e+00 2.170894e-06 ; 3.005257e-01 -2.170894e-06 4.581663e-01 5.554446e-01 0.000485 0.000060 True native_MD 5 121 128 + C_AB42_13 CD2_AB42_14 1 0.000000e+00 2.825320e-06 ; 3.071972e-01 -2.825320e-06 5.049078e-01 5.921867e-01 0.000485 0.000060 True native_MD 5 121 129 + C_AB42_13 CE1_AB42_14 1 0.000000e+00 2.749302e-06 ; 3.064998e-01 -2.749302e-06 1.471054e-01 2.051299e-01 0.000485 0.000060 True native_MD 6 121 130 + C_AB42_13 NE2_AB42_14 1 0.000000e+00 1.989545e-06 ; 2.983489e-01 -1.989545e-06 1.288724e-01 1.344878e-01 0.000485 0.000060 True native_MD 6 121 131 + C_AB42_13 O_AB42_14 1 0.000000e+00 7.836376e-07 ; 2.760607e-01 -7.836376e-07 8.639111e-01 8.115476e-01 0.000485 0.000060 True native_MD 4 121 133 + C_AB42_13 N_AB42_15 1 0.000000e+00 1.523639e-06 ; 2.917887e-01 -1.523639e-06 9.627578e-01 9.730429e-01 0.000485 0.000060 True native_MD 4 121 134 + C_AB42_13 CA_AB42_15 1 0.000000e+00 1.289682e-05 ; 3.486330e-01 -1.289682e-05 8.701900e-01 8.583156e-01 0.000485 0.000060 True native_MD 5 121 136 + C_AB42_13 CB_AB42_15 1 0.000000e+00 6.277048e-06 ; 3.283280e-01 -6.277048e-06 2.597356e-01 2.507669e-01 0.000485 0.000060 True native_MD 6 121 137 + C_AB42_13 CG_AB42_15 1 0.000000e+00 6.710862e-06 ; 3.301616e-01 -6.710862e-06 1.433476e-01 2.028701e-01 0.000485 0.000060 True native_MD 7 121 138 C_AB42_13 CD_AB42_15 1 2.401742e-03 9.522905e-06 ; 3.978388e-01 1.514340e-01 2.652624e-02 1.035414e-02 0.000485 0.002166 True native_MD 7 121 139 C_AB42_13 OE1_AB42_15 1 5.535178e-04 4.710930e-07 ; 3.078429e-01 1.625910e-01 9.212140e-03 2.575171e-03 0.000485 0.002166 True native_MD 7 121 140 C_AB42_13 NE2_AB42_15 1 8.799693e-04 1.256659e-06 ; 3.355766e-01 1.540485e-01 3.367472e-02 1.215557e-02 0.000485 0.002166 True native_MD 7 121 141 - C_AB42_13 C_AB42_15 1 0.000000e+00 2.453520e-06 ; 3.036063e-01 -2.453520e-06 1.816939e-01 1.258747e-01 0.000485 0.000060 True native_MD 6 121 142 + C_AB42_13 C_AB42_15 1 0.000000e+00 2.453476e-06 ; 3.036059e-01 -2.453476e-06 1.816939e-01 1.258747e-01 0.000485 0.000060 True native_MD 6 121 142 C_AB42_13 O_AB42_15 1 1.057274e-03 1.872305e-06 ; 3.478282e-01 1.492583e-01 1.339858e-01 5.581943e-02 0.000485 0.002166 True native_MD 7 121 143 C_AB42_13 N_AB42_16 1 5.848468e-04 9.256558e-07 ; 3.413772e-01 9.237931e-02 7.968811e-02 1.821176e-01 0.000485 0.002166 True native_MD 7 121 144 C_AB42_13 CA_AB42_16 1 1.622301e-03 8.229450e-06 ; 4.145147e-01 7.995246e-02 8.975471e-02 1.838990e-01 0.000485 0.001339 True native_MD 7 121 146 - C_AB42_13 CB_AB42_16 1 0.000000e+00 6.751387e-06 ; 3.303273e-01 -6.751387e-06 6.913670e-02 1.350395e-01 0.000485 0.000060 True native_MD 7 121 147 - C_AB42_13 CG_AB42_16 1 0.000000e+00 6.477235e-06 ; 3.291881e-01 -6.477235e-06 6.704656e-02 8.966654e-02 0.000485 0.000060 True native_MD 7 121 148 - C_AB42_13 CD_AB42_16 1 0.000000e+00 6.291042e-06 ; 3.283890e-01 -6.291042e-06 5.000766e-02 4.323168e-02 0.000485 0.000060 True native_MD 7 121 149 - C_AB42_13 CE_AB42_16 1 0.000000e+00 6.243431e-06 ; 3.281811e-01 -6.243431e-06 4.371894e-02 2.942618e-02 0.000485 0.000060 True native_MD 7 121 150 + C_AB42_13 CB_AB42_16 1 0.000000e+00 6.751273e-06 ; 3.303268e-01 -6.751273e-06 6.913670e-02 1.350395e-01 0.000485 0.000060 True native_MD 7 121 147 + C_AB42_13 CG_AB42_16 1 0.000000e+00 6.477126e-06 ; 3.291876e-01 -6.477126e-06 6.704656e-02 8.966654e-02 0.000485 0.000060 True native_MD 7 121 148 + C_AB42_13 CD_AB42_16 1 0.000000e+00 6.290937e-06 ; 3.283885e-01 -6.290937e-06 5.000766e-02 4.323168e-02 0.000485 0.000060 True native_MD 7 121 149 + C_AB42_13 CE_AB42_16 1 0.000000e+00 6.243326e-06 ; 3.281807e-01 -6.243326e-06 4.371894e-02 2.942618e-02 0.000485 0.000060 True native_MD 7 121 150 C_AB42_13 NZ_AB42_16 1 9.573072e-04 1.611023e-06 ; 3.448856e-01 1.422135e-01 2.094613e-02 1.077416e-02 0.000485 0.002166 True native_MD 7 121 151 C_AB42_13 C_AB42_16 1 1.911917e-03 7.608191e-06 ; 3.980785e-01 1.201149e-01 1.782849e-02 1.776628e-02 0.000485 0.002166 True native_MD 7 121 152 C_AB42_13 O_AB42_16 1 4.453776e-04 4.625667e-07 ; 3.182299e-01 1.072068e-01 1.644202e-02 2.411075e-02 0.000485 0.002166 True native_MD 7 121 153 C_AB42_13 N_AB42_17 1 9.250956e-04 2.356518e-06 ; 3.695564e-01 9.079093e-02 1.153900e-02 2.765478e-02 0.000485 0.002166 True native_MD 7 121 154 - C_AB42_13 CA_AB42_17 1 0.000000e+00 1.342007e-05 ; 3.497904e-01 -1.342007e-05 1.490780e-02 4.311895e-02 0.000485 0.001339 True native_MD 7 121 156 - C_AB42_13 CB_AB42_17 1 0.000000e+00 6.561113e-06 ; 3.295413e-01 -6.561113e-06 1.307103e-02 4.893355e-02 0.000485 0.000060 True native_MD 7 121 157 - C_AB42_13 CG_AB42_17 1 0.000000e+00 1.376381e-05 ; 3.505284e-01 -1.376381e-05 2.159267e-02 7.613997e-02 0.000485 0.000060 True native_MD 7 121 158 - C_AB42_13 CD1_AB42_17 1 0.000000e+00 4.887587e-06 ; 3.215532e-01 -4.887587e-06 1.368955e-02 4.785538e-02 0.000485 0.000060 True native_MD 7 121 159 - C_AB42_13 CD2_AB42_17 1 0.000000e+00 4.750800e-06 ; 3.207935e-01 -4.750800e-06 1.215582e-02 1.737873e-02 0.000485 0.000060 True native_MD 7 121 160 + C_AB42_13 CA_AB42_17 1 0.000000e+00 1.342000e-05 ; 3.497903e-01 -1.342000e-05 1.490780e-02 4.311895e-02 0.000485 0.001339 True native_MD 7 121 156 + C_AB42_13 CB_AB42_17 1 0.000000e+00 6.561003e-06 ; 3.295408e-01 -6.561003e-06 1.307103e-02 4.893355e-02 0.000485 0.000060 True native_MD 7 121 157 + C_AB42_13 CG_AB42_17 1 0.000000e+00 1.376374e-05 ; 3.505283e-01 -1.376374e-05 2.159267e-02 7.613997e-02 0.000485 0.000060 True native_MD 7 121 158 + C_AB42_13 CD1_AB42_17 1 0.000000e+00 4.887523e-06 ; 3.215529e-01 -4.887523e-06 1.368955e-02 4.785538e-02 0.000485 0.000060 True native_MD 7 121 159 + C_AB42_13 CD2_AB42_17 1 0.000000e+00 4.750738e-06 ; 3.207932e-01 -4.750738e-06 1.215582e-02 1.737873e-02 0.000485 0.000060 True native_MD 7 121 160 C_AB42_13 C_AB42_17 1 2.300404e-03 1.224131e-05 ; 4.178342e-01 1.080738e-01 1.515942e-03 1.710362e-03 0.000485 0.002166 True native_MD 7 121 161 C_AB42_13 O_AB42_17 1 4.713673e-04 7.436216e-07 ; 3.411919e-01 7.469764e-02 1.197552e-03 4.645802e-03 0.000485 0.002166 True native_MD 7 121 162 C_AB42_13 N_AB42_18 1 9.009767e-04 1.784574e-06 ; 3.543808e-01 1.137188e-01 1.794938e-03 1.856018e-04 0.000485 0.002166 True native_MD 7 121 163 C_AB42_13 CA_AB42_18 1 3.803639e-03 2.464495e-05 ; 4.317723e-01 1.467610e-01 4.824893e-03 1.253551e-03 0.000485 0.001339 True native_MD 7 121 165 - C_AB42_13 CB_AB42_18 1 0.000000e+00 1.299549e-05 ; 3.488545e-01 -1.299549e-05 7.946788e-03 3.627341e-03 0.000485 0.000060 True native_MD 7 121 166 - C_AB42_13 CG1_AB42_18 1 0.000000e+00 4.719116e-06 ; 3.206147e-01 -4.719116e-06 5.429159e-03 3.948036e-03 0.000485 0.000060 True native_MD 7 121 167 - C_AB42_13 CG2_AB42_18 1 0.000000e+00 4.717931e-06 ; 3.206080e-01 -4.717931e-06 7.967102e-03 6.235390e-03 0.000485 0.000060 True native_MD 7 121 168 + C_AB42_13 CB_AB42_18 1 0.000000e+00 1.299542e-05 ; 3.488544e-01 -1.299542e-05 7.946788e-03 3.627341e-03 0.000485 0.000060 True native_MD 7 121 166 + C_AB42_13 CG1_AB42_18 1 0.000000e+00 4.719054e-06 ; 3.206143e-01 -4.719054e-06 5.429159e-03 3.948036e-03 0.000485 0.000060 True native_MD 7 121 167 + C_AB42_13 CG2_AB42_18 1 0.000000e+00 4.717870e-06 ; 3.206076e-01 -4.717870e-06 7.967102e-03 6.235390e-03 0.000485 0.000060 True native_MD 7 121 168 C_AB42_13 C_AB42_18 1 1.539728e-03 6.148789e-06 ; 3.983128e-01 9.639144e-02 1.068688e-03 9.303931e-05 0.000485 0.002166 True native_MD 7 121 169 C_AB42_13 O_AB42_18 1 4.237182e-04 4.560225e-07 ; 3.201240e-01 9.842559e-02 1.135764e-03 5.223950e-04 0.000485 0.002166 True native_MD 7 121 170 C_AB42_13 N_AB42_19 1 1.164687e-03 3.135752e-06 ; 3.729828e-01 1.081475e-01 1.519290e-03 6.043968e-06 0.000485 0.002166 True native_MD 7 121 171 C_AB42_13 CA_AB42_19 1 4.017878e-03 3.078808e-05 ; 4.440150e-01 1.310843e-01 3.685752e-03 1.634949e-03 0.000485 0.001339 True native_MD 7 121 173 - C_AB42_13 CB_AB42_19 1 0.000000e+00 6.307280e-06 ; 3.284595e-01 -6.307280e-06 8.063471e-03 3.851146e-03 0.000485 0.000060 True native_MD 7 121 174 + C_AB42_13 CB_AB42_19 1 0.000000e+00 6.307174e-06 ; 3.284591e-01 -6.307174e-06 8.063471e-03 3.851146e-03 0.000485 0.000060 True native_MD 7 121 174 C_AB42_13 CG_AB42_19 1 2.014197e-03 6.927786e-06 ; 3.885218e-01 1.464028e-01 4.773447e-03 2.109313e-03 0.000485 0.003309 True native_MD 7 121 175 C_AB42_13 CD1_AB42_19 1 1.837634e-03 6.150433e-06 ; 3.867596e-01 1.372626e-01 5.387724e-03 4.910299e-03 0.000485 0.003309 True native_MD 7 121 176 C_AB42_13 CD2_AB42_19 1 1.837634e-03 6.150433e-06 ; 3.867596e-01 1.372626e-01 5.387724e-03 4.910299e-03 0.000485 0.003309 True native_MD 7 121 177 @@ -28759,7 +28759,7 @@ NE2_AB42_13 O2_AB42_42 1 9.942257e-05 2.686281e-08 ; 2.542598e-01 9.199380 C_AB42_13 CE2_AB42_19 1 9.517779e-04 1.884145e-06 ; 3.543478e-01 1.201979e-01 6.343149e-03 9.633660e-03 0.000485 0.003309 True native_MD 7 121 179 C_AB42_13 CZ_AB42_19 1 1.010203e-03 2.430810e-06 ; 3.660640e-01 1.049557e-01 4.815495e-03 1.154051e-02 0.000485 0.003309 True native_MD 7 121 180 C_AB42_13 CA_AB42_20 1 2.651710e-03 1.897430e-05 ; 4.389752e-01 9.264587e-02 9.553686e-04 5.523083e-04 0.000485 0.001339 True native_MD 7 121 185 - C_AB42_13 CB_AB42_20 1 0.000000e+00 6.330513e-06 ; 3.285602e-01 -6.330513e-06 2.118930e-03 1.574539e-03 0.000485 0.000060 True native_MD 7 121 186 + C_AB42_13 CB_AB42_20 1 0.000000e+00 6.330407e-06 ; 3.285597e-01 -6.330407e-06 2.118930e-03 1.574539e-03 0.000485 0.000060 True native_MD 7 121 186 C_AB42_13 CG_AB42_20 1 1.450848e-03 4.982749e-06 ; 3.884256e-01 1.056124e-01 1.408291e-03 5.513937e-04 0.000485 0.003309 True native_MD 7 121 187 C_AB42_13 CD1_AB42_20 1 9.550090e-04 1.859387e-06 ; 3.533678e-01 1.226268e-01 2.343272e-03 1.966392e-03 0.000485 0.003309 True native_MD 7 121 188 C_AB42_13 CD2_AB42_20 1 9.550090e-04 1.859387e-06 ; 3.533678e-01 1.226268e-01 2.343272e-03 1.966392e-03 0.000485 0.003309 True native_MD 7 121 189 @@ -28767,18 +28767,18 @@ NE2_AB42_13 O2_AB42_42 1 9.942257e-05 2.686281e-08 ; 2.542598e-01 9.199380 C_AB42_13 CE2_AB42_20 1 1.079236e-03 2.412065e-06 ; 3.615864e-01 1.207214e-01 2.981597e-03 4.457920e-03 0.000485 0.003309 True native_MD 7 121 191 C_AB42_13 CZ_AB42_20 1 1.257658e-03 3.637349e-06 ; 3.774595e-01 1.087127e-01 2.712236e-03 5.808764e-03 0.000485 0.003309 True native_MD 7 121 192 C_AB42_13 CA_AB42_21 1 1.518905e-03 6.841425e-06 ; 4.063835e-01 8.430521e-02 7.443380e-04 1.242499e-03 0.000485 0.001339 True native_MD 7 121 197 - C_AB42_13 CB_AB42_21 1 0.000000e+00 4.728365e-06 ; 3.206670e-01 -4.728365e-06 1.164547e-03 1.640498e-03 0.000485 0.000060 True native_MD 7 121 198 - C_AB42_13 CB_AB42_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 204 - C_AB42_13 CG_AB42_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 205 - C_AB42_13 CB_AB42_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 214 - C_AB42_13 CB_AB42_24 1 0.000000e+00 1.304246e-05 ; 3.489595e-01 -1.304246e-05 8.796841e-04 1.592967e-04 0.000485 0.000060 True native_MD 7 121 223 - C_AB42_13 CG1_AB42_24 1 0.000000e+00 4.722417e-06 ; 3.206334e-01 -4.722417e-06 1.032385e-03 2.498388e-04 0.000485 0.000060 True native_MD 7 121 224 - C_AB42_13 CG2_AB42_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 225 + C_AB42_13 CB_AB42_21 1 0.000000e+00 4.728303e-06 ; 3.206666e-01 -4.728303e-06 1.164547e-03 1.640498e-03 0.000485 0.000060 True native_MD 7 121 198 + C_AB42_13 CB_AB42_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 204 + C_AB42_13 CG_AB42_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 205 + C_AB42_13 CB_AB42_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 214 + C_AB42_13 CB_AB42_24 1 0.000000e+00 1.304239e-05 ; 3.489593e-01 -1.304239e-05 8.796841e-04 1.592967e-04 0.000485 0.000060 True native_MD 7 121 223 + C_AB42_13 CG1_AB42_24 1 0.000000e+00 4.722356e-06 ; 3.206330e-01 -4.722356e-06 1.032385e-03 2.498388e-04 0.000485 0.000060 True native_MD 7 121 224 + C_AB42_13 CG2_AB42_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 225 C_AB42_13 CA_AB42_25 1 1.081048e-03 3.698284e-06 ; 3.881735e-01 7.900051e-02 6.350776e-04 3.153642e-04 0.000485 0.001584 True native_MD 7 121 230 C_AB42_13 C_AB42_25 1 9.842301e-04 3.268148e-06 ; 3.862491e-01 7.410227e-02 5.484865e-04 3.308395e-05 0.000485 0.002166 True native_MD 7 121 231 C_AB42_13 O_AB42_25 1 1.949446e-04 1.215269e-07 ; 2.922763e-01 7.817898e-02 6.196546e-04 2.016475e-04 0.000485 0.002166 True native_MD 7 121 232 C_AB42_13 CA_AB42_26 1 1.069289e-03 3.521745e-06 ; 3.857244e-01 8.116571e-02 6.775902e-04 2.416969e-04 0.000485 0.001339 True native_MD 7 121 235 - C_AB42_13 CB_AB42_26 1 0.000000e+00 6.328919e-06 ; 3.285533e-01 -6.328919e-06 1.004195e-03 2.081273e-04 0.000485 0.000060 True native_MD 7 121 236 + C_AB42_13 CB_AB42_26 1 0.000000e+00 6.328813e-06 ; 3.285528e-01 -6.328813e-06 1.004195e-03 2.081273e-04 0.000485 0.000060 True native_MD 7 121 236 C_AB42_13 OG_AB42_26 1 4.588400e-04 5.893070e-07 ; 3.296958e-01 8.931430e-02 8.647123e-04 1.430245e-04 0.000485 0.002166 True native_MD 7 121 237 C_AB42_13 CA_AB42_27 1 2.780192e-03 2.138901e-05 ; 4.443099e-01 9.034389e-02 8.917702e-04 1.546914e-05 0.000485 0.001339 True native_MD 7 121 242 C_AB42_13 CB_AB42_27 1 1.187264e-03 4.272749e-06 ; 3.914654e-01 8.247597e-02 1.882004e-03 1.594806e-04 0.000485 0.000060 True native_MD 7 121 243 @@ -28788,8 +28788,8 @@ NE2_AB42_13 O2_AB42_42 1 9.942257e-05 2.686281e-08 ; 2.542598e-01 9.199380 C_AB42_13 CA_AB42_28 1 2.137664e-03 1.172743e-05 ; 4.199625e-01 9.741284e-02 1.101858e-03 9.147163e-06 0.000485 0.001339 True native_MD 7 121 251 C_AB42_13 CB_AB42_28 1 8.118511e-04 1.893574e-06 ; 3.641673e-01 8.701829e-02 8.072929e-04 3.999047e-05 0.000485 0.000060 True native_MD 7 121 252 C_AB42_13 CG_AB42_28 1 5.637082e-04 1.095805e-06 ; 3.532752e-01 7.249624e-02 8.796586e-04 1.004858e-04 0.000485 0.000060 True native_MD 7 121 253 - C_AB42_13 CD_AB42_28 1 0.000000e+00 6.329881e-06 ; 3.285574e-01 -6.329881e-06 9.901202e-04 3.459364e-04 0.000485 0.000060 True native_MD 7 121 254 - C_AB42_13 CE_AB42_28 1 0.000000e+00 6.328314e-06 ; 3.285507e-01 -6.328314e-06 1.229095e-03 3.375382e-04 0.000485 0.000060 True native_MD 7 121 255 + C_AB42_13 CD_AB42_28 1 0.000000e+00 6.329775e-06 ; 3.285570e-01 -6.329775e-06 9.901202e-04 3.459364e-04 0.000485 0.000060 True native_MD 7 121 254 + C_AB42_13 CE_AB42_28 1 0.000000e+00 6.328208e-06 ; 3.285502e-01 -6.328208e-06 1.229095e-03 3.375382e-04 0.000485 0.000060 True native_MD 7 121 255 C_AB42_13 NZ_AB42_28 1 6.346207e-04 1.210797e-06 ; 3.521758e-01 8.315665e-02 7.191886e-04 3.144811e-04 0.000485 0.002166 True native_MD 7 121 256 C_AB42_13 C_AB42_28 1 9.660267e-04 2.750898e-06 ; 3.764849e-01 8.480937e-02 7.556534e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 121 257 C_AB42_13 O_AB42_28 1 6.313646e-04 1.326241e-06 ; 3.578687e-01 7.514121e-02 5.658075e-04 5.000139e-05 0.000485 0.002166 True native_MD 7 121 258 @@ -28804,13 +28804,13 @@ NE2_AB42_13 O2_AB42_42 1 9.942257e-05 2.686281e-08 ; 2.542598e-01 9.199380 C_AB42_13 CB_AB42_31 1 2.467893e-03 1.648202e-05 ; 4.339577e-01 9.238090e-02 2.371719e-03 1.494237e-04 0.000485 0.000060 True native_MD 7 121 273 C_AB42_13 CG1_AB42_31 1 2.189110e-03 1.065330e-05 ; 4.116576e-01 1.124582e-01 2.020809e-03 6.981422e-05 0.000485 0.000060 True native_MD 7 121 274 C_AB42_13 CG2_AB42_31 1 7.455963e-04 1.753075e-06 ; 3.646555e-01 7.927694e-02 2.405241e-03 2.242966e-04 0.000485 0.000060 True native_MD 7 121 275 - C_AB42_13 CD_AB42_31 1 0.000000e+00 4.714900e-06 ; 3.205908e-01 -4.714900e-06 2.821210e-03 4.480857e-04 0.000485 0.000060 True native_MD 7 121 276 + C_AB42_13 CD_AB42_31 1 0.000000e+00 4.714838e-06 ; 3.205904e-01 -4.714838e-06 2.821210e-03 4.480857e-04 0.000485 0.000060 True native_MD 7 121 276 C_AB42_13 O_AB42_31 1 5.627688e-04 1.068279e-06 ; 3.518783e-01 7.411657e-02 5.487214e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 121 278 C_AB42_13 CA_AB42_32 1 1.794228e-03 7.195940e-06 ; 3.985979e-01 1.118427e-01 1.696937e-03 4.965359e-05 0.000485 0.001339 True native_MD 7 121 281 C_AB42_13 CB_AB42_32 1 1.944833e-03 1.086894e-05 ; 4.212606e-01 8.699966e-02 3.699822e-03 2.738264e-04 0.000485 0.000060 True native_MD 7 121 282 C_AB42_13 CG1_AB42_32 1 8.874054e-04 1.905299e-06 ; 3.591756e-01 1.033287e-01 3.122008e-03 1.417442e-04 0.000485 0.000060 True native_MD 7 121 283 C_AB42_13 CG2_AB42_32 1 7.720497e-04 1.786829e-06 ; 3.636969e-01 8.339643e-02 2.708597e-03 2.232898e-04 0.000485 0.000060 True native_MD 7 121 284 - C_AB42_13 CD_AB42_32 1 0.000000e+00 4.706892e-06 ; 3.205454e-01 -4.706892e-06 4.745301e-03 6.776690e-04 0.000485 0.000060 True native_MD 7 121 285 + C_AB42_13 CD_AB42_32 1 0.000000e+00 4.706830e-06 ; 3.205450e-01 -4.706830e-06 4.745301e-03 6.776690e-04 0.000485 0.000060 True native_MD 7 121 285 C_AB42_13 C_AB42_32 1 1.608668e-03 7.640799e-06 ; 4.099952e-01 8.467089e-02 7.525283e-04 3.819487e-06 0.000485 0.002166 True native_MD 7 121 286 C_AB42_13 N_AB42_33 1 8.487855e-04 1.715209e-06 ; 3.555657e-01 1.050071e-01 1.383013e-03 5.003153e-05 0.000485 0.002166 True native_MD 7 121 288 C_AB42_13 CA_AB42_33 1 2.022933e-03 6.050801e-06 ; 3.795817e-01 1.690793e-01 9.409145e-03 1.330028e-04 0.000485 0.001584 True native_MD 7 121 290 @@ -28868,20 +28868,20 @@ NE2_AB42_13 O2_AB42_42 1 9.942257e-05 2.686281e-08 ; 2.542598e-01 9.199380 C_AB42_13 CD_AB42_41 1 1.004949e-03 2.490269e-06 ; 3.678610e-01 1.013868e-01 7.606363e-03 3.660046e-04 0.000485 0.000060 True native_MD 7 121 351 C_AB42_13 O_AB42_41 1 3.155919e-04 3.530305e-07 ; 3.221917e-01 7.053091e-02 4.928902e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 121 353 C_AB42_13 CA_AB42_42 1 2.185242e-03 1.314359e-05 ; 4.264509e-01 9.082910e-02 9.048134e-04 2.531848e-04 0.000485 0.001339 True native_MD 7 121 356 - C_AB42_13 CB_AB42_42 1 0.000000e+00 4.720906e-06 ; 3.206248e-01 -4.720906e-06 1.315322e-03 2.129722e-04 0.000485 0.000060 True native_MD 7 121 357 + C_AB42_13 CB_AB42_42 1 0.000000e+00 4.720844e-06 ; 3.206245e-01 -4.720844e-06 1.315322e-03 2.129722e-04 0.000485 0.000060 True native_MD 7 121 357 O_AB42_13 O_AB42_13 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 122 122 O_AB42_13 H_AB42_14 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 122 124 - O_AB42_13 CB_AB42_14 1 0.000000e+00 2.015624e-06 ; 2.986729e-01 -2.015624e-06 1.000000e+00 9.999839e-01 0.000485 0.000060 True native_MD 4 122 126 - O_AB42_13 CG_AB42_14 1 0.000000e+00 8.879955e-07 ; 2.789518e-01 -8.879955e-07 3.886751e-01 4.625045e-01 0.000485 0.000060 True native_MD 5 122 127 - O_AB42_13 ND1_AB42_14 1 0.000000e+00 6.510119e-07 ; 2.718279e-01 -6.510119e-07 1.760204e-01 2.100147e-01 0.000485 0.000060 True native_MD 6 122 128 - O_AB42_13 CD2_AB42_14 1 0.000000e+00 8.387986e-07 ; 2.776301e-01 -8.387986e-07 2.163523e-01 2.306891e-01 0.000485 0.000060 True native_MD 6 122 129 + O_AB42_13 CB_AB42_14 1 0.000000e+00 2.015616e-06 ; 2.986728e-01 -2.015616e-06 1.000000e+00 9.999839e-01 0.000485 0.000060 True native_MD 4 122 126 + O_AB42_13 CG_AB42_14 1 0.000000e+00 8.879914e-07 ; 2.789517e-01 -8.879914e-07 3.886751e-01 4.625045e-01 0.000485 0.000060 True native_MD 5 122 127 + O_AB42_13 ND1_AB42_14 1 0.000000e+00 6.510086e-07 ; 2.718278e-01 -6.510086e-07 1.760204e-01 2.100147e-01 0.000485 0.000060 True native_MD 6 122 128 + O_AB42_13 CD2_AB42_14 1 0.000000e+00 8.387947e-07 ; 2.776299e-01 -8.387947e-07 2.163523e-01 2.306891e-01 0.000485 0.000060 True native_MD 6 122 129 O_AB42_13 CE1_AB42_14 1 7.746975e-04 1.118450e-06 ; 3.361869e-01 1.341491e-01 5.502693e-02 5.504982e-02 0.000485 0.003309 True native_MD 7 122 130 O_AB42_13 NE2_AB42_14 1 5.796979e-04 7.397144e-07 ; 3.293394e-01 1.135741e-01 3.271378e-02 3.964976e-02 0.000485 0.002166 True native_MD 7 122 131 - O_AB42_13 C_AB42_14 1 0.000000e+00 8.231141e-07 ; 2.771937e-01 -8.231141e-07 9.998113e-01 9.951813e-01 0.000485 0.000060 True native_MD 4 122 132 + O_AB42_13 C_AB42_14 1 0.000000e+00 8.231103e-07 ; 2.771936e-01 -8.231103e-07 9.998113e-01 9.951813e-01 0.000485 0.000060 True native_MD 4 122 132 O_AB42_13 O_AB42_14 1 0.000000e+00 1.434372e-06 ; 2.903244e-01 -1.434372e-06 8.331726e-01 7.894209e-01 0.000485 0.000060 True native_MD 5 122 133 O_AB42_13 N_AB42_15 1 0.000000e+00 1.515534e-06 ; 2.916591e-01 -1.515534e-06 8.774780e-01 8.878341e-01 0.000485 0.000060 True native_MD 5 122 134 - O_AB42_13 H_AB42_15 1 0.000000e+00 1.521470e-08 ; 1.987697e-01 -1.521470e-08 2.021436e-01 1.827124e-01 0.000485 0.000060 True native_MD 6 122 135 - O_AB42_13 CA_AB42_15 1 0.000000e+00 3.894124e-06 ; 3.155216e-01 -3.894124e-06 5.620777e-01 4.996313e-01 0.000485 0.000060 True native_MD 6 122 136 + O_AB42_13 H_AB42_15 1 0.000000e+00 1.521494e-08 ; 1.987700e-01 -1.521494e-08 2.021436e-01 1.827124e-01 0.000485 0.000060 True native_MD 6 122 135 + O_AB42_13 CA_AB42_15 1 0.000000e+00 3.894155e-06 ; 3.155218e-01 -3.894155e-06 5.620777e-01 4.996313e-01 0.000485 0.000060 True native_MD 6 122 136 O_AB42_13 CB_AB42_15 1 1.119596e-03 3.157280e-06 ; 3.758737e-01 9.925431e-02 1.031913e-01 1.055199e-01 0.000485 0.001191 True native_MD 7 122 137 O_AB42_13 CG_AB42_15 1 4.591030e-04 5.681533e-07 ; 3.276619e-01 9.274593e-02 1.160899e-01 1.442358e-01 0.000485 0.001191 True native_MD 7 122 138 O_AB42_13 CD_AB42_15 1 7.676725e-04 1.071658e-06 ; 3.343080e-01 1.374788e-01 3.591726e-02 2.128747e-02 0.000485 0.002166 True native_MD 7 122 139 @@ -28901,9 +28901,9 @@ NE2_AB42_13 O2_AB42_42 1 9.942257e-05 2.686281e-08 ; 2.542598e-01 9.199380 O_AB42_13 O_AB42_16 1 0.000000e+00 1.527876e-06 ; 2.918563e-01 -1.527876e-06 4.449459e-02 6.307888e-02 0.000485 0.000060 True native_MD 7 122 153 O_AB42_13 N_AB42_17 1 9.976843e-05 3.526123e-08 ; 2.658994e-01 7.057142e-02 2.166925e-02 9.511381e-02 0.000485 0.002166 True native_MD 7 122 154 O_AB42_13 H_AB42_17 1 6.764048e-06 1.088724e-10 ; 1.588980e-01 1.050596e-01 9.442924e-03 3.623949e-02 0.000485 0.005316 True native_MD 7 122 155 - O_AB42_13 CA_AB42_17 1 0.000000e+00 4.391048e-06 ; 3.186953e-01 -4.391048e-06 1.919668e-02 7.639025e-02 0.000485 0.001339 True native_MD 7 122 156 - O_AB42_13 CB_AB42_17 1 0.000000e+00 2.139795e-06 ; 3.001645e-01 -2.139795e-06 1.540779e-02 7.699518e-02 0.000485 0.001191 True native_MD 7 122 157 - O_AB42_13 CG_AB42_17 1 0.000000e+00 4.494284e-06 ; 3.193131e-01 -4.494284e-06 2.306067e-02 1.051094e-01 0.000485 0.001191 True native_MD 7 122 158 + O_AB42_13 CA_AB42_17 1 0.000000e+00 4.391083e-06 ; 3.186955e-01 -4.391083e-06 1.919668e-02 7.639025e-02 0.000485 0.001339 True native_MD 7 122 156 + O_AB42_13 CB_AB42_17 1 0.000000e+00 2.139787e-06 ; 3.001644e-01 -2.139787e-06 1.540779e-02 7.699518e-02 0.000485 0.001191 True native_MD 7 122 157 + O_AB42_13 CG_AB42_17 1 0.000000e+00 4.494319e-06 ; 3.193133e-01 -4.494319e-06 2.306067e-02 1.051094e-01 0.000485 0.001191 True native_MD 7 122 158 O_AB42_13 CD1_AB42_17 1 0.000000e+00 1.589750e-06 ; 2.928234e-01 -1.589750e-06 1.321445e-02 7.023506e-02 0.000485 0.001191 True native_MD 7 122 159 O_AB42_13 CD2_AB42_17 1 0.000000e+00 1.538900e-06 ; 2.920312e-01 -1.538900e-06 1.353170e-02 3.674218e-02 0.000485 0.001191 True native_MD 7 122 160 O_AB42_13 C_AB42_17 1 5.433079e-04 7.768100e-07 ; 3.356434e-01 9.499860e-02 3.565245e-03 7.533746e-03 0.000485 0.002166 True native_MD 7 122 161 @@ -29082,43 +29082,43 @@ NE2_AB42_13 O2_AB42_42 1 9.942257e-05 2.686281e-08 ; 2.542598e-01 9.199380 O_AB42_13 CB_AB42_42 1 4.270785e-04 4.464975e-07 ; 3.185800e-01 1.021260e-01 1.268765e-03 3.291917e-04 0.000485 0.001191 True native_MD 7 122 357 O_AB42_13 O1_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 122 359 O_AB42_13 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 122 360 - N_AB42_14 CB_AB42_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 126 - N_AB42_14 ND1_AB42_14 1 0.000000e+00 1.071636e-06 ; 2.833559e-01 -1.071636e-06 9.234853e-01 8.567567e-01 0.000485 0.000060 True native_MD 4 123 128 - N_AB42_14 CD2_AB42_14 1 0.000000e+00 1.749073e-06 ; 2.951633e-01 -1.749073e-06 7.275058e-01 8.872543e-01 0.000485 0.000060 True native_MD 4 123 129 - N_AB42_14 CE1_AB42_14 1 0.000000e+00 1.600342e-06 ; 2.929855e-01 -1.600342e-06 3.841020e-01 4.452323e-01 0.000485 0.000060 True native_MD 5 123 130 - N_AB42_14 NE2_AB42_14 1 0.000000e+00 1.117133e-06 ; 2.843394e-01 -1.117133e-06 3.634175e-01 3.363114e-01 0.000485 0.000060 True native_MD 5 123 131 - N_AB42_14 CA_AB42_15 1 0.000000e+00 7.574734e-06 ; 3.335101e-01 -7.574734e-06 1.000000e+00 9.999656e-01 0.000485 0.000060 True native_MD 4 123 136 - N_AB42_14 CB_AB42_15 1 0.000000e+00 3.463582e-06 ; 3.124559e-01 -3.463582e-06 4.938367e-01 4.360308e-01 0.000485 0.000060 True native_MD 5 123 137 - N_AB42_14 CG_AB42_15 1 0.000000e+00 3.734036e-06 ; 3.144198e-01 -3.734036e-06 2.336197e-01 2.493849e-01 0.000485 0.000060 True native_MD 6 123 138 + N_AB42_14 CB_AB42_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 126 + N_AB42_14 ND1_AB42_14 1 0.000000e+00 1.071621e-06 ; 2.833556e-01 -1.071621e-06 9.234853e-01 8.567567e-01 0.000485 0.000060 True native_MD 4 123 128 + N_AB42_14 CD2_AB42_14 1 0.000000e+00 1.749049e-06 ; 2.951629e-01 -1.749049e-06 7.275058e-01 8.872543e-01 0.000485 0.000060 True native_MD 4 123 129 + N_AB42_14 CE1_AB42_14 1 0.000000e+00 1.600320e-06 ; 2.929851e-01 -1.600320e-06 3.841020e-01 4.452323e-01 0.000485 0.000060 True native_MD 5 123 130 + N_AB42_14 NE2_AB42_14 1 0.000000e+00 1.117117e-06 ; 2.843391e-01 -1.117117e-06 3.634175e-01 3.363114e-01 0.000485 0.000060 True native_MD 5 123 131 + N_AB42_14 CA_AB42_15 1 0.000000e+00 7.574722e-06 ; 3.335100e-01 -7.574722e-06 1.000000e+00 9.999656e-01 0.000485 0.000060 True native_MD 4 123 136 + N_AB42_14 CB_AB42_15 1 0.000000e+00 3.463537e-06 ; 3.124556e-01 -3.463537e-06 4.938367e-01 4.360308e-01 0.000485 0.000060 True native_MD 5 123 137 + N_AB42_14 CG_AB42_15 1 0.000000e+00 3.733987e-06 ; 3.144194e-01 -3.733987e-06 2.336197e-01 2.493849e-01 0.000485 0.000060 True native_MD 6 123 138 N_AB42_14 CD_AB42_15 1 1.207873e-03 2.249175e-06 ; 3.507522e-01 1.621657e-01 7.650620e-03 1.339930e-03 0.000485 0.002166 True native_MD 7 123 139 N_AB42_14 OE1_AB42_15 1 2.751675e-04 1.107252e-07 ; 2.717116e-01 1.709573e-01 1.213331e-02 2.640567e-03 0.000485 0.002166 True native_MD 7 123 140 N_AB42_14 NE2_AB42_15 1 1.568604e-03 3.156770e-06 ; 3.553216e-01 1.948605e-01 2.035261e-02 1.918506e-03 0.000485 0.002166 True native_MD 7 123 141 - N_AB42_14 C_AB42_15 1 0.000000e+00 1.400934e-06 ; 2.897543e-01 -1.400934e-06 1.494400e-01 7.834995e-02 0.000485 0.000060 True native_MD 5 123 142 + N_AB42_14 C_AB42_15 1 0.000000e+00 1.400915e-06 ; 2.897539e-01 -1.400915e-06 1.494400e-01 7.834995e-02 0.000485 0.000060 True native_MD 5 123 142 N_AB42_14 O_AB42_15 1 0.000000e+00 1.290302e-06 ; 2.877747e-01 -1.290302e-06 2.370044e-01 9.720599e-02 0.000485 0.000060 True native_MD 6 123 143 - N_AB42_14 N_AB42_16 1 0.000000e+00 9.226364e-07 ; 2.798428e-01 -9.226364e-07 5.583053e-02 1.099179e-01 0.000485 0.000060 True native_MD 6 123 144 + N_AB42_14 N_AB42_16 1 0.000000e+00 9.226267e-07 ; 2.798426e-01 -9.226267e-07 5.583053e-02 1.099179e-01 0.000485 0.000060 True native_MD 6 123 144 N_AB42_14 CA_AB42_16 1 3.648093e-03 3.464813e-05 ; 4.601884e-01 9.602669e-02 3.692431e-02 4.676581e-02 0.000485 0.001339 True native_MD 7 123 146 - N_AB42_14 CB_AB42_16 1 0.000000e+00 3.680367e-06 ; 3.140407e-01 -3.680367e-06 1.130491e-02 1.247065e-02 0.000485 0.000060 True native_MD 7 123 147 - N_AB42_14 CG_AB42_16 1 0.000000e+00 3.651808e-06 ; 3.138369e-01 -3.651808e-06 2.063406e-02 1.403093e-02 0.000485 0.000060 True native_MD 7 123 148 - N_AB42_14 CD_AB42_16 1 0.000000e+00 3.668036e-06 ; 3.139529e-01 -3.668036e-06 4.600381e-03 2.411756e-03 0.000485 0.000060 True native_MD 7 123 149 - N_AB42_14 CE_AB42_16 1 0.000000e+00 3.647154e-06 ; 3.138035e-01 -3.647154e-06 1.046196e-02 2.592707e-03 0.000485 0.000060 True native_MD 7 123 150 - N_AB42_14 NZ_AB42_16 1 0.000000e+00 8.722364e-07 ; 2.785359e-01 -8.722364e-07 5.063239e-03 1.569977e-03 0.000485 0.000060 True native_MD 7 123 151 + N_AB42_14 CB_AB42_16 1 0.000000e+00 3.680319e-06 ; 3.140403e-01 -3.680319e-06 1.130491e-02 1.247065e-02 0.000485 0.000060 True native_MD 7 123 147 + N_AB42_14 CG_AB42_16 1 0.000000e+00 3.651760e-06 ; 3.138365e-01 -3.651760e-06 2.063406e-02 1.403093e-02 0.000485 0.000060 True native_MD 7 123 148 + N_AB42_14 CD_AB42_16 1 0.000000e+00 3.667988e-06 ; 3.139525e-01 -3.667988e-06 4.600381e-03 2.411756e-03 0.000485 0.000060 True native_MD 7 123 149 + N_AB42_14 CE_AB42_16 1 0.000000e+00 3.647106e-06 ; 3.138032e-01 -3.647106e-06 1.046196e-02 2.592707e-03 0.000485 0.000060 True native_MD 7 123 150 + N_AB42_14 NZ_AB42_16 1 0.000000e+00 8.722272e-07 ; 2.785357e-01 -8.722272e-07 5.063239e-03 1.569977e-03 0.000485 0.000060 True native_MD 7 123 151 N_AB42_14 O_AB42_16 1 3.441585e-04 3.053301e-07 ; 3.099811e-01 9.698116e-02 6.521578e-03 1.298715e-02 0.000485 0.002166 True native_MD 7 123 153 - N_AB42_14 N_AB42_17 1 0.000000e+00 8.755551e-07 ; 2.786241e-01 -8.755551e-07 6.793519e-04 9.776182e-04 0.000485 0.000060 True native_MD 7 123 154 + N_AB42_14 N_AB42_17 1 0.000000e+00 8.755459e-07 ; 2.786238e-01 -8.755459e-07 6.793519e-04 9.776182e-04 0.000485 0.000060 True native_MD 7 123 154 N_AB42_14 CA_AB42_17 1 2.100524e-03 1.285014e-05 ; 4.276581e-01 8.583954e-02 3.830113e-03 6.580012e-03 0.000485 0.001339 True native_MD 7 123 156 - N_AB42_14 CB_AB42_17 1 0.000000e+00 3.710164e-06 ; 3.142518e-01 -3.710164e-06 9.067577e-03 1.833894e-02 0.000485 0.000060 True native_MD 7 123 157 - N_AB42_14 CG_AB42_17 1 0.000000e+00 7.704545e-06 ; 3.339827e-01 -7.704545e-06 1.483394e-02 3.193628e-02 0.000485 0.000060 True native_MD 7 123 158 - N_AB42_14 CD1_AB42_17 1 0.000000e+00 2.778462e-06 ; 3.067694e-01 -2.778462e-06 9.942611e-03 2.289820e-02 0.000485 0.000060 True native_MD 7 123 159 - N_AB42_14 CD2_AB42_17 1 0.000000e+00 2.739736e-06 ; 3.064108e-01 -2.739736e-06 7.353429e-03 6.190255e-03 0.000485 0.000060 True native_MD 7 123 160 + N_AB42_14 CB_AB42_17 1 0.000000e+00 3.710115e-06 ; 3.142514e-01 -3.710115e-06 9.067577e-03 1.833894e-02 0.000485 0.000060 True native_MD 7 123 157 + N_AB42_14 CG_AB42_17 1 0.000000e+00 7.704533e-06 ; 3.339826e-01 -7.704533e-06 1.483394e-02 3.193628e-02 0.000485 0.000060 True native_MD 7 123 158 + N_AB42_14 CD1_AB42_17 1 0.000000e+00 2.778436e-06 ; 3.067692e-01 -2.778436e-06 9.942611e-03 2.289820e-02 0.000485 0.000060 True native_MD 7 123 159 + N_AB42_14 CD2_AB42_17 1 0.000000e+00 2.739710e-06 ; 3.064105e-01 -2.739710e-06 7.353429e-03 6.190255e-03 0.000485 0.000060 True native_MD 7 123 160 N_AB42_14 O_AB42_17 1 1.280969e-04 4.901377e-08 ; 2.694407e-01 8.369492e-02 3.307450e-03 9.802376e-03 0.000485 0.002166 True native_MD 7 123 162 N_AB42_14 N_AB42_18 1 1.119163e-03 3.844308e-06 ; 3.884372e-01 8.145329e-02 6.834469e-04 4.476083e-06 0.000485 0.000060 True native_MD 7 123 163 N_AB42_14 CA_AB42_18 1 3.776798e-03 2.522955e-05 ; 4.339746e-01 1.413442e-01 4.102864e-03 1.250909e-03 0.000485 0.001339 True native_MD 7 123 165 - N_AB42_14 CB_AB42_18 1 0.000000e+00 7.542199e-06 ; 3.333905e-01 -7.542199e-06 5.718918e-03 1.389394e-03 0.000485 0.000060 True native_MD 7 123 166 - N_AB42_14 CG1_AB42_18 1 0.000000e+00 2.739205e-06 ; 3.064058e-01 -2.739205e-06 3.095625e-03 1.739147e-03 0.000485 0.000060 True native_MD 7 123 167 - N_AB42_14 CG2_AB42_18 1 0.000000e+00 2.736723e-06 ; 3.063827e-01 -2.736723e-06 5.424200e-03 3.162787e-03 0.000485 0.000060 True native_MD 7 123 168 + N_AB42_14 CB_AB42_18 1 0.000000e+00 7.542187e-06 ; 3.333904e-01 -7.542187e-06 5.718918e-03 1.389394e-03 0.000485 0.000060 True native_MD 7 123 166 + N_AB42_14 CG1_AB42_18 1 0.000000e+00 2.739180e-06 ; 3.064056e-01 -2.739180e-06 3.095625e-03 1.739147e-03 0.000485 0.000060 True native_MD 7 123 167 + N_AB42_14 CG2_AB42_18 1 0.000000e+00 2.736697e-06 ; 3.063825e-01 -2.736697e-06 5.424200e-03 3.162787e-03 0.000485 0.000060 True native_MD 7 123 168 N_AB42_14 O_AB42_18 1 5.471591e-04 9.468741e-07 ; 3.464946e-01 7.904513e-02 6.359261e-04 4.636884e-04 0.000485 0.002166 True native_MD 7 123 170 N_AB42_14 N_AB42_19 1 1.015336e-03 3.177934e-06 ; 3.824628e-01 8.109877e-02 6.762343e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 123 171 N_AB42_14 CA_AB42_19 1 3.906496e-03 3.539410e-05 ; 4.565874e-01 1.077914e-01 1.503184e-03 3.109563e-04 0.000485 0.001339 True native_MD 7 123 173 - N_AB42_14 CB_AB42_19 1 0.000000e+00 3.669591e-06 ; 3.139640e-01 -3.669591e-06 3.038962e-03 1.273227e-03 0.000485 0.000060 True native_MD 7 123 174 + N_AB42_14 CB_AB42_19 1 0.000000e+00 3.669542e-06 ; 3.139636e-01 -3.669542e-06 3.038962e-03 1.273227e-03 0.000485 0.000060 True native_MD 7 123 174 N_AB42_14 CG_AB42_19 1 9.000815e-04 2.806936e-06 ; 3.822303e-01 7.215579e-02 5.174499e-04 4.653529e-04 0.000485 0.003309 True native_MD 7 123 175 N_AB42_14 CD1_AB42_19 1 7.908933e-04 1.455544e-06 ; 3.500671e-01 1.074361e-01 1.487288e-03 1.779134e-03 0.000485 0.003309 True native_MD 7 123 176 N_AB42_14 CD2_AB42_19 1 7.908933e-04 1.455544e-06 ; 3.500671e-01 1.074361e-01 1.487288e-03 1.779134e-03 0.000485 0.003309 True native_MD 7 123 177 @@ -29126,7 +29126,7 @@ NE2_AB42_13 O2_AB42_42 1 9.942257e-05 2.686281e-08 ; 2.542598e-01 9.199380 N_AB42_14 CE2_AB42_19 1 9.680038e-04 2.060411e-06 ; 3.586571e-01 1.136947e-01 2.577268e-03 4.755242e-03 0.000485 0.003309 True native_MD 7 123 179 N_AB42_14 CZ_AB42_19 1 6.577591e-04 1.320439e-06 ; 3.551746e-01 8.191351e-02 1.425277e-03 6.807102e-03 0.000485 0.003309 True native_MD 7 123 180 N_AB42_14 N_AB42_20 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 123 183 - N_AB42_14 CB_AB42_20 1 0.000000e+00 3.674642e-06 ; 3.140000e-01 -3.674642e-06 1.279661e-03 8.880539e-04 0.000485 0.000060 True native_MD 7 123 186 + N_AB42_14 CB_AB42_20 1 0.000000e+00 3.674594e-06 ; 3.139996e-01 -3.674594e-06 1.279661e-03 8.880539e-04 0.000485 0.000060 True native_MD 7 123 186 N_AB42_14 CG_AB42_20 1 1.441218e-03 5.752927e-06 ; 3.982843e-01 9.026321e-02 8.896196e-04 2.775002e-04 0.000485 0.003309 True native_MD 7 123 187 N_AB42_14 CD1_AB42_20 1 4.733856e-04 6.534765e-07 ; 3.336843e-01 8.573145e-02 7.767953e-04 1.042528e-03 0.000485 0.003309 True native_MD 7 123 188 N_AB42_14 CD2_AB42_20 1 4.733856e-04 6.534765e-07 ; 3.336843e-01 8.573145e-02 7.767953e-04 1.042528e-03 0.000485 0.003309 True native_MD 7 123 189 @@ -29134,31 +29134,31 @@ NE2_AB42_13 O2_AB42_42 1 9.942257e-05 2.686281e-08 ; 2.542598e-01 9.199380 N_AB42_14 CE2_AB42_20 1 4.367378e-04 4.930637e-07 ; 3.226862e-01 9.671159e-02 1.078976e-03 2.613691e-03 0.000485 0.003309 True native_MD 7 123 191 N_AB42_14 CZ_AB42_20 1 1.107268e-03 3.184795e-06 ; 3.771130e-01 9.624182e-02 1.138560e-03 3.541593e-03 0.000485 0.003309 True native_MD 7 123 192 N_AB42_14 N_AB42_21 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 6.883371e-05 1.328984e-06 0.000485 0.000060 True native_MD 7 123 195 - N_AB42_14 CB_AB42_21 1 0.000000e+00 2.743511e-06 ; 3.064460e-01 -2.743511e-06 8.320740e-04 1.045284e-03 0.000485 0.000060 True native_MD 7 123 198 + N_AB42_14 CB_AB42_21 1 0.000000e+00 2.743485e-06 ; 3.064457e-01 -2.743485e-06 8.320740e-04 1.045284e-03 0.000485 0.000060 True native_MD 7 123 198 N_AB42_14 N_AB42_22 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 123 201 - N_AB42_14 CB_AB42_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 204 - N_AB42_14 CG_AB42_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 205 + N_AB42_14 CB_AB42_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 204 + N_AB42_14 CG_AB42_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 205 N_AB42_14 N_AB42_23 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.272529e-07 0.000000e+00 0.000485 0.000060 True native_MD 7 123 211 - N_AB42_14 CB_AB42_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 214 + N_AB42_14 CB_AB42_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 214 N_AB42_14 N_AB42_24 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 123 220 - N_AB42_14 CB_AB42_24 1 0.000000e+00 7.571260e-06 ; 3.334973e-01 -7.571260e-06 6.174432e-04 1.243470e-04 0.000485 0.000060 True native_MD 7 123 223 - N_AB42_14 CG1_AB42_24 1 0.000000e+00 2.741223e-06 ; 3.064246e-01 -2.741223e-06 9.315746e-04 3.104738e-04 0.000485 0.000060 True native_MD 7 123 224 - N_AB42_14 CG2_AB42_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 225 + N_AB42_14 CB_AB42_24 1 0.000000e+00 7.571248e-06 ; 3.334973e-01 -7.571248e-06 6.174432e-04 1.243470e-04 0.000485 0.000060 True native_MD 7 123 223 + N_AB42_14 CG1_AB42_24 1 0.000000e+00 2.741197e-06 ; 3.064244e-01 -2.741197e-06 9.315746e-04 3.104738e-04 0.000485 0.000060 True native_MD 7 123 224 + N_AB42_14 CG2_AB42_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 225 N_AB42_14 N_AB42_25 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.077223e-06 0.000000e+00 0.000485 0.000060 True native_MD 7 123 228 - N_AB42_14 CA_AB42_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 230 + N_AB42_14 CA_AB42_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 230 N_AB42_14 O_AB42_25 1 1.518728e-04 7.013130e-08 ; 2.780174e-01 8.222196e-02 6.993506e-04 2.388201e-04 0.000485 0.002166 True native_MD 7 123 232 N_AB42_14 N_AB42_26 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.260237e-07 9.278361e-06 0.000485 0.000060 True native_MD 7 123 233 - N_AB42_14 CB_AB42_26 1 0.000000e+00 3.674180e-06 ; 3.139967e-01 -3.674180e-06 6.121967e-04 9.491835e-05 0.000485 0.000060 True native_MD 7 123 236 + N_AB42_14 CB_AB42_26 1 0.000000e+00 3.674132e-06 ; 3.139963e-01 -3.674132e-06 6.121967e-04 9.491835e-05 0.000485 0.000060 True native_MD 7 123 236 N_AB42_14 N_AB42_27 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 123 240 - N_AB42_14 CB_AB42_27 1 0.000000e+00 3.673668e-06 ; 3.139930e-01 -3.673668e-06 7.532719e-04 9.662456e-05 0.000485 0.000060 True native_MD 7 123 243 + N_AB42_14 CB_AB42_27 1 0.000000e+00 3.673619e-06 ; 3.139927e-01 -3.673619e-06 7.532719e-04 9.662456e-05 0.000485 0.000060 True native_MD 7 123 243 N_AB42_14 OD1_AB42_27 1 4.932504e-04 7.932724e-07 ; 3.422886e-01 7.667479e-02 5.923798e-04 2.791426e-04 0.000485 0.002166 True native_MD 7 123 245 N_AB42_14 ND2_AB42_27 1 7.005129e-04 1.266135e-06 ; 3.490149e-01 9.689295e-02 1.084848e-03 1.720655e-04 0.000485 0.002166 True native_MD 7 123 246 N_AB42_14 N_AB42_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 4.997362e-05 0.000000e+00 0.000485 0.000060 True native_MD 7 123 249 N_AB42_14 CA_AB42_28 1 1.947987e-03 1.229639e-05 ; 4.298978e-01 7.714976e-02 6.008598e-04 5.883162e-06 0.000485 0.001339 True native_MD 7 123 251 - N_AB42_14 CB_AB42_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 252 - N_AB42_14 CG_AB42_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 253 - N_AB42_14 CD_AB42_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 254 - N_AB42_14 CE_AB42_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 255 + N_AB42_14 CB_AB42_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 252 + N_AB42_14 CG_AB42_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 253 + N_AB42_14 CD_AB42_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 254 + N_AB42_14 CE_AB42_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 255 N_AB42_14 NZ_AB42_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.658898e-04 5.715704e-05 0.000485 0.000060 True native_MD 7 123 256 N_AB42_14 O_AB42_28 1 4.053267e-04 5.012926e-07 ; 3.276280e-01 8.193304e-02 6.933299e-04 5.002655e-05 0.000485 0.002166 True native_MD 7 123 258 N_AB42_14 N_AB42_29 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 4.825042e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 123 259 @@ -29169,10 +29169,10 @@ NE2_AB42_13 O2_AB42_42 1 9.942257e-05 2.686281e-08 ; 2.542598e-01 9.199380 N_AB42_14 C_AB42_30 1 1.760244e-03 7.482208e-06 ; 4.024786e-01 1.035275e-01 1.323110e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 123 268 N_AB42_14 O_AB42_30 1 1.111468e-03 2.213379e-06 ; 3.546989e-01 1.395335e-01 3.886451e-03 4.541044e-05 0.000485 0.002166 True native_MD 7 123 269 N_AB42_14 N_AB42_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 123 270 - N_AB42_14 CB_AB42_31 1 0.000000e+00 7.571375e-06 ; 3.334977e-01 -7.571375e-06 5.747321e-04 9.692552e-05 0.000485 0.000060 True native_MD 7 123 273 - N_AB42_14 CG1_AB42_31 1 0.000000e+00 3.673255e-06 ; 3.139901e-01 -3.673255e-06 9.109145e-04 1.418603e-04 0.000485 0.000060 True native_MD 7 123 274 - N_AB42_14 CG2_AB42_31 1 0.000000e+00 2.739759e-06 ; 3.064110e-01 -2.739759e-06 1.352428e-03 1.976960e-04 0.000485 0.000060 True native_MD 7 123 275 - N_AB42_14 CD_AB42_31 1 0.000000e+00 2.740848e-06 ; 3.064212e-01 -2.740848e-06 1.141849e-03 3.841187e-04 0.000485 0.000060 True native_MD 7 123 276 + N_AB42_14 CB_AB42_31 1 0.000000e+00 7.571364e-06 ; 3.334977e-01 -7.571364e-06 5.747321e-04 9.692552e-05 0.000485 0.000060 True native_MD 7 123 273 + N_AB42_14 CG1_AB42_31 1 0.000000e+00 3.673206e-06 ; 3.139897e-01 -3.673206e-06 9.109145e-04 1.418603e-04 0.000485 0.000060 True native_MD 7 123 274 + N_AB42_14 CG2_AB42_31 1 0.000000e+00 2.739733e-06 ; 3.064108e-01 -2.739733e-06 1.352428e-03 1.976960e-04 0.000485 0.000060 True native_MD 7 123 275 + N_AB42_14 CD_AB42_31 1 0.000000e+00 2.740822e-06 ; 3.064209e-01 -2.740822e-06 1.141849e-03 3.841187e-04 0.000485 0.000060 True native_MD 7 123 276 N_AB42_14 N_AB42_32 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 123 279 N_AB42_14 CA_AB42_32 1 2.657617e-03 1.968162e-05 ; 4.414973e-01 8.971477e-02 8.751377e-04 0.000000e+00 0.000485 0.001339 True native_MD 7 123 281 N_AB42_14 CB_AB42_32 1 3.141048e-03 2.137936e-05 ; 4.353314e-01 1.153704e-01 1.885881e-03 5.193013e-05 0.000485 0.000060 True native_MD 7 123 282 @@ -29218,7 +29218,7 @@ NE2_AB42_13 O2_AB42_42 1 9.942257e-05 2.686281e-08 ; 2.542598e-01 9.199380 N_AB42_14 CA_AB42_39 1 3.084020e-03 1.798684e-05 ; 4.242674e-01 1.321964e-01 3.120294e-03 0.000000e+00 0.000485 0.001339 True native_MD 7 123 331 N_AB42_14 CB_AB42_39 1 3.447958e-03 2.258627e-05 ; 4.325607e-01 1.315890e-01 3.064088e-03 0.000000e+00 0.000485 0.000060 True native_MD 7 123 332 N_AB42_14 CG1_AB42_39 1 1.564090e-03 4.794030e-06 ; 3.811300e-01 1.275741e-01 2.717203e-03 5.002852e-05 0.000485 0.000060 True native_MD 7 123 333 - N_AB42_14 CG2_AB42_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 334 + N_AB42_14 CG2_AB42_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 334 N_AB42_14 C_AB42_39 1 6.554648e-04 1.245658e-06 ; 3.519451e-01 8.622634e-02 7.883852e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 123 335 N_AB42_14 O_AB42_39 1 1.361512e-04 4.000531e-08 ; 2.578395e-01 1.158418e-01 1.912671e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 123 336 N_AB42_14 N_AB42_40 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.141393e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 123 337 @@ -29234,9 +29234,9 @@ NE2_AB42_13 O2_AB42_42 1 9.942257e-05 2.686281e-08 ; 2.542598e-01 9.199380 N_AB42_14 CG2_AB42_41 1 1.276683e-03 3.207227e-06 ; 3.687011e-01 1.270505e-01 2.674954e-03 5.106074e-05 0.000485 0.000060 True native_MD 7 123 350 N_AB42_14 CD_AB42_41 1 8.132012e-04 1.697695e-06 ; 3.575007e-01 9.738150e-02 3.699483e-03 2.006810e-04 0.000485 0.000060 True native_MD 7 123 351 N_AB42_14 N_AB42_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.095512e-06 0.000000e+00 0.000485 0.000060 True native_MD 7 123 354 - N_AB42_14 CB_AB42_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 357 + N_AB42_14 CB_AB42_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 357 H_AB42_14 H_AB42_14 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 124 124 - H_AB42_14 O_AB42_14 1 0.000000e+00 1.580375e-08 ; 1.993999e-01 -1.580375e-08 2.934021e-01 3.119342e-01 0.000485 0.000060 True native_MD 4 124 133 + H_AB42_14 O_AB42_14 1 0.000000e+00 1.580400e-08 ; 1.994002e-01 -1.580400e-08 2.934021e-01 3.119342e-01 0.000485 0.000060 True native_MD 4 124 133 H_AB42_14 H_AB42_15 1 0.000000e+00 1.180700e-08 ; 1.946136e-01 -1.180700e-08 5.594482e-01 5.433648e-01 0.000485 0.000060 True native_MD 5 124 135 H_AB42_14 OE1_AB42_15 1 6.795592e-06 9.686405e-11 ; 1.557122e-01 1.191878e-01 2.114113e-03 4.161162e-04 0.000485 0.005316 True native_MD 7 124 140 H_AB42_14 O_AB42_15 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 124 143 @@ -29301,39 +29301,39 @@ NE2_AB42_13 O2_AB42_42 1 9.942257e-05 2.686281e-08 ; 2.542598e-01 9.199380 H_AB42_14 H_AB42_42 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 124 355 H_AB42_14 O1_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 124 359 H_AB42_14 O2_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 124 360 - CA_AB42_14 CE1_AB42_14 1 0.000000e+00 1.305199e-05 ; 3.489807e-01 -1.305199e-05 9.999906e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 125 130 - CA_AB42_14 NE2_AB42_14 1 0.000000e+00 9.937298e-06 ; 3.411411e-01 -9.937298e-06 9.999990e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 125 131 - CA_AB42_14 CB_AB42_15 1 0.000000e+00 3.181396e-05 ; 3.758776e-01 -3.181396e-05 9.999903e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 125 137 - CA_AB42_14 CG_AB42_15 1 0.000000e+00 3.472682e-05 ; 3.786318e-01 -3.472682e-05 7.736331e-01 8.652028e-01 0.000485 0.000060 True native_MD 5 125 138 - CA_AB42_14 CD_AB42_15 1 0.000000e+00 1.204898e-05 ; 3.466630e-01 -1.204898e-05 1.176302e-01 4.079142e-02 0.000485 0.000060 True native_MD 6 125 139 + CA_AB42_14 CE1_AB42_14 1 0.000000e+00 1.305192e-05 ; 3.489805e-01 -1.305192e-05 9.999906e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 125 130 + CA_AB42_14 NE2_AB42_14 1 0.000000e+00 9.937241e-06 ; 3.411409e-01 -9.937241e-06 9.999990e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 125 131 + CA_AB42_14 CB_AB42_15 1 0.000000e+00 3.181383e-05 ; 3.758775e-01 -3.181383e-05 9.999903e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 125 137 + CA_AB42_14 CG_AB42_15 1 0.000000e+00 3.472667e-05 ; 3.786317e-01 -3.472667e-05 7.736331e-01 8.652028e-01 0.000485 0.000060 True native_MD 5 125 138 + CA_AB42_14 CD_AB42_15 1 0.000000e+00 1.204891e-05 ; 3.466629e-01 -1.204891e-05 1.176302e-01 4.079142e-02 0.000485 0.000060 True native_MD 6 125 139 CA_AB42_14 OE1_AB42_15 1 1.204352e-03 2.189494e-06 ; 3.493535e-01 1.656163e-01 5.153805e-02 8.134204e-03 0.000485 0.001339 True native_MD 7 125 140 CA_AB42_14 NE2_AB42_15 1 2.360031e-03 9.992200e-06 ; 4.022140e-01 1.393524e-01 6.958936e-02 2.410325e-02 0.000485 0.001339 True native_MD 7 125 141 - CA_AB42_14 C_AB42_15 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 125 142 - CA_AB42_14 O_AB42_15 1 0.000000e+00 2.249077e-06 ; 3.014130e-01 -2.249077e-06 7.540543e-01 2.955445e-01 0.000485 0.000060 True native_MD 5 125 143 - CA_AB42_14 N_AB42_16 1 0.000000e+00 9.803757e-06 ; 3.407567e-01 -9.803757e-06 4.684887e-01 7.627150e-01 0.000485 0.000060 True native_MD 5 125 144 - CA_AB42_14 CA_AB42_16 1 0.000000e+00 8.208140e-05 ; 4.067698e-01 -8.208140e-05 4.967104e-01 7.487961e-01 0.000485 0.000060 True native_MD 6 125 146 - CA_AB42_14 CB_AB42_16 1 0.000000e+00 3.766175e-05 ; 3.812004e-01 -3.766175e-05 1.334719e-01 3.172953e-01 0.000485 0.001021 True native_MD 7 125 147 + CA_AB42_14 C_AB42_15 1 0.000000e+00 1.305180e-05 ; 3.489803e-01 -1.305180e-05 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 125 142 + CA_AB42_14 O_AB42_15 1 0.000000e+00 2.249094e-06 ; 3.014132e-01 -2.249094e-06 7.540543e-01 2.955445e-01 0.000485 0.000060 True native_MD 5 125 143 + CA_AB42_14 N_AB42_16 1 0.000000e+00 9.803742e-06 ; 3.407566e-01 -9.803742e-06 4.684887e-01 7.627150e-01 0.000485 0.000060 True native_MD 5 125 144 + CA_AB42_14 CA_AB42_16 1 0.000000e+00 8.208201e-05 ; 4.067701e-01 -8.208201e-05 4.967104e-01 7.487961e-01 0.000485 0.000060 True native_MD 6 125 146 + CA_AB42_14 CB_AB42_16 1 0.000000e+00 3.766159e-05 ; 3.812003e-01 -3.766159e-05 1.334719e-01 3.172953e-01 0.000485 0.001021 True native_MD 7 125 147 CA_AB42_14 CG_AB42_16 1 3.534625e-03 3.546784e-05 ; 4.644246e-01 8.806270e-02 1.625151e-01 1.991972e-01 0.000485 0.001021 True native_MD 7 125 148 CA_AB42_14 CD_AB42_16 1 4.680838e-03 5.235908e-05 ; 4.729095e-01 1.046153e-01 9.147843e-02 6.832497e-02 0.000485 0.001021 True native_MD 7 125 149 CA_AB42_14 CE_AB42_16 1 3.221974e-03 2.343700e-05 ; 4.401797e-01 1.107343e-01 9.425980e-02 5.862208e-02 0.000485 0.001021 True native_MD 7 125 150 CA_AB42_14 NZ_AB42_16 1 2.150390e-03 9.196941e-06 ; 4.028911e-01 1.256987e-01 5.277846e-02 2.750648e-02 0.000485 0.001339 True native_MD 7 125 151 - CA_AB42_14 C_AB42_16 1 0.000000e+00 1.414867e-05 ; 3.513349e-01 -1.414867e-05 3.929220e-02 1.233269e-01 0.000485 0.001339 True native_MD 7 125 152 - CA_AB42_14 O_AB42_16 1 0.000000e+00 4.425318e-06 ; 3.189019e-01 -4.425318e-06 3.009182e-02 9.553641e-02 0.000485 0.001339 True native_MD 7 125 153 - CA_AB42_14 N_AB42_17 1 0.000000e+00 8.842938e-06 ; 3.378402e-01 -8.842938e-06 4.416010e-02 2.115455e-01 0.000485 0.001339 True native_MD 7 125 154 - CA_AB42_14 CA_AB42_17 1 0.000000e+00 7.997511e-05 ; 4.058896e-01 -7.997511e-05 6.832136e-02 2.882773e-01 0.000485 0.000883 True native_MD 7 125 156 - CA_AB42_14 CB_AB42_17 1 0.000000e+00 3.757781e-05 ; 3.811296e-01 -3.757781e-05 6.201151e-02 2.431965e-01 0.000485 0.001021 True native_MD 7 125 157 - CA_AB42_14 CG_AB42_17 1 0.000000e+00 7.803742e-05 ; 4.050608e-01 -7.803742e-05 6.950825e-02 2.599062e-01 0.000485 0.000883 True native_MD 7 125 158 - CA_AB42_14 CD1_AB42_17 1 0.000000e+00 2.661786e-05 ; 3.703333e-01 -2.661786e-05 3.150883e-02 1.528315e-01 0.000485 0.001932 True native_MD 7 125 159 + CA_AB42_14 C_AB42_16 1 0.000000e+00 1.414860e-05 ; 3.513348e-01 -1.414860e-05 3.929220e-02 1.233269e-01 0.000485 0.001339 True native_MD 7 125 152 + CA_AB42_14 O_AB42_16 1 0.000000e+00 4.425353e-06 ; 3.189021e-01 -4.425353e-06 3.009182e-02 9.553641e-02 0.000485 0.001339 True native_MD 7 125 153 + CA_AB42_14 N_AB42_17 1 0.000000e+00 8.842924e-06 ; 3.378402e-01 -8.842924e-06 4.416010e-02 2.115455e-01 0.000485 0.001339 True native_MD 7 125 154 + CA_AB42_14 CA_AB42_17 1 0.000000e+00 7.997570e-05 ; 4.058898e-01 -7.997570e-05 6.832136e-02 2.882773e-01 0.000485 0.000883 True native_MD 7 125 156 + CA_AB42_14 CB_AB42_17 1 0.000000e+00 3.757765e-05 ; 3.811294e-01 -3.757765e-05 6.201151e-02 2.431965e-01 0.000485 0.001021 True native_MD 7 125 157 + CA_AB42_14 CG_AB42_17 1 0.000000e+00 7.803799e-05 ; 4.050611e-01 -7.803799e-05 6.950825e-02 2.599062e-01 0.000485 0.000883 True native_MD 7 125 158 + CA_AB42_14 CD1_AB42_17 1 0.000000e+00 2.661784e-05 ; 3.703333e-01 -2.661784e-05 3.150883e-02 1.528315e-01 0.000485 0.001932 True native_MD 7 125 159 CA_AB42_14 CD2_AB42_17 1 1.900145e-03 9.179302e-06 ; 4.111533e-01 9.833408e-02 4.475384e-02 7.635591e-02 0.000485 0.001932 True native_MD 7 125 160 - CA_AB42_14 C_AB42_17 1 0.000000e+00 1.345922e-05 ; 3.498753e-01 -1.345922e-05 1.498858e-02 4.619881e-02 0.000485 0.001339 True native_MD 7 125 161 - CA_AB42_14 O_AB42_17 1 0.000000e+00 4.328595e-06 ; 3.183151e-01 -4.328595e-06 1.407677e-02 5.623417e-02 0.000485 0.001339 True native_MD 7 125 162 + CA_AB42_14 C_AB42_17 1 0.000000e+00 1.345915e-05 ; 3.498752e-01 -1.345915e-05 1.498858e-02 4.619881e-02 0.000485 0.001339 True native_MD 7 125 161 + CA_AB42_14 O_AB42_17 1 0.000000e+00 4.328629e-06 ; 3.183153e-01 -4.328629e-06 1.407677e-02 5.623417e-02 0.000485 0.001339 True native_MD 7 125 162 CA_AB42_14 N_AB42_18 1 2.306752e-03 1.435854e-05 ; 4.288956e-01 9.264705e-02 9.950082e-03 1.394334e-02 0.000485 0.001339 True native_MD 7 125 163 - CA_AB42_14 CA_AB42_18 1 0.000000e+00 6.716501e-05 ; 4.000279e-01 -6.716501e-05 1.405961e-02 3.860770e-02 0.000485 0.000883 True native_MD 7 125 165 - CA_AB42_14 CB_AB42_18 1 0.000000e+00 6.740089e-05 ; 4.001448e-01 -6.740089e-05 1.702904e-02 4.517534e-02 0.000485 0.000883 True native_MD 7 125 166 + CA_AB42_14 CA_AB42_18 1 0.000000e+00 6.716550e-05 ; 4.000281e-01 -6.716550e-05 1.405961e-02 3.860770e-02 0.000485 0.000883 True native_MD 7 125 165 + CA_AB42_14 CB_AB42_18 1 0.000000e+00 6.740139e-05 ; 4.001450e-01 -6.740139e-05 1.702904e-02 4.517534e-02 0.000485 0.000883 True native_MD 7 125 166 CA_AB42_14 CG1_AB42_18 1 1.576990e-03 7.660679e-06 ; 4.115346e-01 8.115788e-02 9.231672e-03 2.633456e-02 0.000485 0.001932 True native_MD 7 125 167 CA_AB42_14 CG2_AB42_18 1 1.593107e-03 7.727519e-06 ; 4.114331e-01 8.210882e-02 1.650320e-02 4.575671e-02 0.000485 0.001932 True native_MD 7 125 168 CA_AB42_14 C_AB42_18 1 4.040018e-03 3.750691e-05 ; 4.584458e-01 1.087916e-01 2.676712e-03 2.313721e-03 0.000485 0.001339 True native_MD 7 125 169 - CA_AB42_14 O_AB42_18 1 0.000000e+00 4.161425e-06 ; 3.172721e-01 -4.161425e-06 9.430712e-04 2.852300e-03 0.000485 0.001339 True native_MD 7 125 170 + CA_AB42_14 O_AB42_18 1 0.000000e+00 4.161458e-06 ; 3.172723e-01 -4.161458e-06 9.430712e-04 2.852300e-03 0.000485 0.001339 True native_MD 7 125 170 CA_AB42_14 N_AB42_19 1 4.471418e-03 3.284167e-05 ; 4.408897e-01 1.521967e-01 5.677191e-03 8.800764e-04 0.000485 0.001339 True native_MD 7 125 171 CA_AB42_14 CA_AB42_19 1 8.028017e-03 1.622587e-04 ; 5.219152e-01 9.929986e-02 1.184139e-02 8.964518e-03 0.000485 0.000883 True native_MD 7 125 173 CA_AB42_14 CB_AB42_19 1 2.999951e-03 2.254705e-05 ; 4.425842e-01 9.978805e-02 1.488054e-02 1.284156e-02 0.000485 0.001021 True native_MD 7 125 174 @@ -29482,45 +29482,45 @@ NE2_AB42_13 O2_AB42_42 1 9.942257e-05 2.686281e-08 ; 2.542598e-01 9.199380 CA_AB42_14 N_AB42_42 1 1.798829e-03 9.769605e-06 ; 4.192578e-01 8.280239e-02 7.116042e-04 0.000000e+00 0.000485 0.001339 True native_MD 7 125 354 CA_AB42_14 CA_AB42_42 1 5.997747e-03 7.274885e-05 ; 4.793356e-01 1.236204e-01 2.413996e-03 8.638499e-04 0.000485 0.000883 True native_MD 7 125 356 CA_AB42_14 CB_AB42_42 1 1.437894e-03 4.310647e-06 ; 3.797251e-01 1.199088e-01 2.160220e-03 7.652707e-04 0.000485 0.001932 True native_MD 7 125 357 - CB_AB42_14 CG_AB42_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 127 - CB_AB42_14 ND1_AB42_14 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 128 - CB_AB42_14 NE2_AB42_14 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 131 - CB_AB42_14 C_AB42_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 132 + CB_AB42_14 CG_AB42_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 127 + CB_AB42_14 ND1_AB42_14 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 128 + CB_AB42_14 NE2_AB42_14 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 131 + CB_AB42_14 C_AB42_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 132 CB_AB42_14 O_AB42_14 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 133 - CB_AB42_14 N_AB42_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 134 - CB_AB42_14 CA_AB42_15 1 0.000000e+00 3.181392e-05 ; 3.758776e-01 -3.181392e-05 9.999916e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 126 136 - CB_AB42_14 CB_AB42_15 1 0.000000e+00 1.409945e-05 ; 3.512329e-01 -1.409945e-05 6.745171e-01 5.877587e-01 0.000485 0.000060 True native_MD 5 126 137 - CB_AB42_14 CG_AB42_15 1 0.000000e+00 1.435662e-05 ; 3.517623e-01 -1.435662e-05 4.043014e-01 3.342003e-01 0.000485 0.000060 True native_MD 6 126 138 - CB_AB42_14 CD_AB42_15 1 0.000000e+00 6.100222e-06 ; 3.275471e-01 -6.100222e-06 5.026542e-02 1.336297e-02 0.000485 0.000060 True native_MD 7 126 139 + CB_AB42_14 N_AB42_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 134 + CB_AB42_14 CA_AB42_15 1 0.000000e+00 3.181379e-05 ; 3.758775e-01 -3.181379e-05 9.999916e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 126 136 + CB_AB42_14 CB_AB42_15 1 0.000000e+00 1.409922e-05 ; 3.512324e-01 -1.409922e-05 6.745171e-01 5.877587e-01 0.000485 0.000060 True native_MD 5 126 137 + CB_AB42_14 CG_AB42_15 1 0.000000e+00 1.435639e-05 ; 3.517619e-01 -1.435639e-05 4.043014e-01 3.342003e-01 0.000485 0.000060 True native_MD 6 126 138 + CB_AB42_14 CD_AB42_15 1 0.000000e+00 6.100120e-06 ; 3.275467e-01 -6.100120e-06 5.026542e-02 1.336297e-02 0.000485 0.000060 True native_MD 7 126 139 CB_AB42_14 OE1_AB42_15 1 6.545724e-04 6.372765e-07 ; 3.148196e-01 1.680844e-01 3.495087e-02 4.556035e-03 0.000485 0.001191 True native_MD 7 126 140 - CB_AB42_14 NE2_AB42_15 1 0.000000e+00 6.207769e-06 ; 3.280245e-01 -6.207769e-06 3.118912e-02 1.172199e-02 0.000485 0.000060 True native_MD 7 126 141 - CB_AB42_14 C_AB42_15 1 0.000000e+00 6.172361e-06 ; 3.278682e-01 -6.172361e-06 3.733592e-01 3.478460e-01 0.000485 0.000060 True native_MD 5 126 142 - CB_AB42_14 O_AB42_15 1 0.000000e+00 1.837996e-06 ; 2.963856e-01 -1.837996e-06 1.518828e-01 6.374286e-02 0.000485 0.000060 True native_MD 6 126 143 - CB_AB42_14 N_AB42_16 1 0.000000e+00 4.323941e-06 ; 3.182866e-01 -4.323941e-06 7.548804e-02 2.517244e-01 0.000485 0.000060 True native_MD 6 126 144 - CB_AB42_14 CA_AB42_16 1 0.000000e+00 3.668100e-05 ; 3.803631e-01 -3.668100e-05 1.091077e-01 2.621033e-01 0.000485 0.001021 True native_MD 7 126 146 - CB_AB42_14 CB_AB42_16 1 0.000000e+00 1.710682e-05 ; 3.569377e-01 -1.710682e-05 4.219939e-02 1.502332e-01 0.000485 0.001190 True native_MD 7 126 147 + CB_AB42_14 NE2_AB42_15 1 0.000000e+00 6.207734e-06 ; 3.280244e-01 -6.207734e-06 3.118912e-02 1.172199e-02 0.000485 0.000060 True native_MD 7 126 141 + CB_AB42_14 C_AB42_15 1 0.000000e+00 6.172258e-06 ; 3.278677e-01 -6.172258e-06 3.733592e-01 3.478460e-01 0.000485 0.000060 True native_MD 5 126 142 + CB_AB42_14 O_AB42_15 1 0.000000e+00 1.837990e-06 ; 2.963855e-01 -1.837990e-06 1.518828e-01 6.374286e-02 0.000485 0.000060 True native_MD 6 126 143 + CB_AB42_14 N_AB42_16 1 0.000000e+00 4.323884e-06 ; 3.182862e-01 -4.323884e-06 7.548804e-02 2.517244e-01 0.000485 0.000060 True native_MD 6 126 144 + CB_AB42_14 CA_AB42_16 1 0.000000e+00 3.668085e-05 ; 3.803630e-01 -3.668085e-05 1.091077e-01 2.621033e-01 0.000485 0.001021 True native_MD 7 126 146 + CB_AB42_14 CB_AB42_16 1 0.000000e+00 1.710655e-05 ; 3.569373e-01 -1.710655e-05 4.219939e-02 1.502332e-01 0.000485 0.001190 True native_MD 7 126 147 CB_AB42_14 CG_AB42_16 1 1.200791e-03 4.659569e-06 ; 3.964116e-01 7.736227e-02 5.451387e-02 1.073008e-01 0.000485 0.001190 True native_MD 7 126 148 CB_AB42_14 CD_AB42_16 1 1.691624e-03 8.683192e-06 ; 4.153325e-01 8.238878e-02 3.651150e-02 6.182978e-02 0.000485 0.001190 True native_MD 7 126 149 CB_AB42_14 CE_AB42_16 1 1.655630e-03 7.295427e-06 ; 4.049001e-01 9.393253e-02 4.723158e-02 5.662004e-02 0.000485 0.001190 True native_MD 7 126 150 - CB_AB42_14 NZ_AB42_16 1 0.000000e+00 3.679431e-06 ; 3.140340e-01 -3.679431e-06 2.570260e-02 2.661379e-02 0.000485 0.000060 True native_MD 7 126 151 - CB_AB42_14 C_AB42_16 1 0.000000e+00 6.688482e-06 ; 3.300697e-01 -6.688482e-06 2.010856e-02 7.608000e-02 0.000485 0.000060 True native_MD 7 126 152 - CB_AB42_14 O_AB42_16 1 0.000000e+00 2.105933e-06 ; 2.997658e-01 -2.105933e-06 1.728144e-02 6.206918e-02 0.000485 0.001191 True native_MD 7 126 153 - CB_AB42_14 N_AB42_17 1 0.000000e+00 3.916733e-06 ; 3.156739e-01 -3.916733e-06 2.045270e-02 8.591667e-02 0.000485 0.000060 True native_MD 7 126 154 - CB_AB42_14 CA_AB42_17 1 0.000000e+00 3.482452e-05 ; 3.787205e-01 -3.482452e-05 5.010309e-02 1.447438e-01 0.000485 0.001021 True native_MD 7 126 156 - CB_AB42_14 CB_AB42_17 1 0.000000e+00 1.688664e-05 ; 3.565526e-01 -1.688664e-05 4.910325e-02 1.428753e-01 0.000485 0.001190 True native_MD 7 126 157 - CB_AB42_14 CG_AB42_17 1 0.000000e+00 3.538022e-05 ; 3.792204e-01 -3.538022e-05 5.670834e-02 1.688165e-01 0.000485 0.001021 True native_MD 7 126 158 + CB_AB42_14 NZ_AB42_16 1 0.000000e+00 3.679383e-06 ; 3.140337e-01 -3.679383e-06 2.570260e-02 2.661379e-02 0.000485 0.000060 True native_MD 7 126 151 + CB_AB42_14 C_AB42_16 1 0.000000e+00 6.688370e-06 ; 3.300692e-01 -6.688370e-06 2.010856e-02 7.608000e-02 0.000485 0.000060 True native_MD 7 126 152 + CB_AB42_14 O_AB42_16 1 0.000000e+00 2.105925e-06 ; 2.997657e-01 -2.105925e-06 1.728144e-02 6.206918e-02 0.000485 0.001191 True native_MD 7 126 153 + CB_AB42_14 N_AB42_17 1 0.000000e+00 3.916681e-06 ; 3.156735e-01 -3.916681e-06 2.045270e-02 8.591667e-02 0.000485 0.000060 True native_MD 7 126 154 + CB_AB42_14 CA_AB42_17 1 0.000000e+00 3.482437e-05 ; 3.787203e-01 -3.482437e-05 5.010309e-02 1.447438e-01 0.000485 0.001021 True native_MD 7 126 156 + CB_AB42_14 CB_AB42_17 1 0.000000e+00 1.688637e-05 ; 3.565521e-01 -1.688637e-05 4.910325e-02 1.428753e-01 0.000485 0.001190 True native_MD 7 126 157 + CB_AB42_14 CG_AB42_17 1 0.000000e+00 3.538007e-05 ; 3.792203e-01 -3.538007e-05 5.670834e-02 1.688165e-01 0.000485 0.001021 True native_MD 7 126 158 CB_AB42_14 CD1_AB42_17 1 7.019339e-04 1.567251e-06 ; 3.615267e-01 7.859482e-02 3.133675e-02 1.164729e-01 0.000485 0.002332 True native_MD 7 126 159 CB_AB42_14 CD2_AB42_17 1 9.149989e-04 1.919344e-06 ; 3.577849e-01 1.090507e-01 3.965476e-02 5.924365e-02 0.000485 0.002332 True native_MD 7 126 160 - CB_AB42_14 C_AB42_17 1 0.000000e+00 6.452297e-06 ; 3.290823e-01 -6.452297e-06 1.422232e-02 3.290503e-02 0.000485 0.000060 True native_MD 7 126 161 - CB_AB42_14 O_AB42_17 1 0.000000e+00 2.057410e-06 ; 2.991840e-01 -2.057410e-06 1.405839e-02 3.477314e-02 0.000485 0.001191 True native_MD 7 126 162 - CB_AB42_14 N_AB42_18 1 0.000000e+00 3.687491e-06 ; 3.140913e-01 -3.687491e-06 6.568287e-03 9.671973e-03 0.000485 0.000060 True native_MD 7 126 163 - CB_AB42_14 CA_AB42_18 1 0.000000e+00 3.237140e-05 ; 3.764221e-01 -3.237140e-05 1.236282e-02 2.989442e-02 0.000485 0.001021 True native_MD 7 126 165 + CB_AB42_14 C_AB42_17 1 0.000000e+00 6.452188e-06 ; 3.290818e-01 -6.452188e-06 1.422232e-02 3.290503e-02 0.000485 0.000060 True native_MD 7 126 161 + CB_AB42_14 O_AB42_17 1 0.000000e+00 2.057402e-06 ; 2.991839e-01 -2.057402e-06 1.405839e-02 3.477314e-02 0.000485 0.001191 True native_MD 7 126 162 + CB_AB42_14 N_AB42_18 1 0.000000e+00 3.687443e-06 ; 3.140910e-01 -3.687443e-06 6.568287e-03 9.671973e-03 0.000485 0.000060 True native_MD 7 126 163 + CB_AB42_14 CA_AB42_18 1 0.000000e+00 3.237126e-05 ; 3.764220e-01 -3.237126e-05 1.236282e-02 2.989442e-02 0.000485 0.001021 True native_MD 7 126 165 CB_AB42_14 CB_AB42_18 1 1.298391e-03 5.851808e-06 ; 4.064253e-01 7.202130e-02 1.623084e-02 3.215253e-02 0.000485 0.001021 True native_MD 7 126 166 CB_AB42_14 CG1_AB42_18 1 6.651530e-04 1.251223e-06 ; 3.513464e-01 8.839924e-02 8.285403e-03 2.296465e-02 0.000485 0.002332 True native_MD 7 126 167 CB_AB42_14 CG2_AB42_18 1 8.916458e-04 2.075296e-06 ; 3.640390e-01 9.577335e-02 1.419170e-02 3.154582e-02 0.000485 0.002332 True native_MD 7 126 168 - CB_AB42_14 C_AB42_18 1 0.000000e+00 6.351037e-06 ; 3.286488e-01 -6.351037e-06 1.711277e-03 4.407203e-03 0.000485 0.000060 True native_MD 7 126 169 + CB_AB42_14 C_AB42_18 1 0.000000e+00 6.350930e-06 ; 3.286483e-01 -6.350930e-06 1.711277e-03 4.407203e-03 0.000485 0.000060 True native_MD 7 126 169 CB_AB42_14 O_AB42_18 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 3.441764e-04 4.681169e-03 0.000485 0.001191 True native_MD 7 126 170 - CB_AB42_14 N_AB42_19 1 0.000000e+00 3.668652e-06 ; 3.139573e-01 -3.668652e-06 3.948926e-03 1.927817e-03 0.000485 0.000060 True native_MD 7 126 171 + CB_AB42_14 N_AB42_19 1 0.000000e+00 3.668604e-06 ; 3.139569e-01 -3.668604e-06 3.948926e-03 1.927817e-03 0.000485 0.000060 True native_MD 7 126 171 CB_AB42_14 CA_AB42_19 1 3.363571e-03 3.190617e-05 ; 4.600931e-01 8.864751e-02 1.060555e-02 1.277386e-02 0.000485 0.001021 True native_MD 7 126 173 CB_AB42_14 CB_AB42_19 1 1.207821e-03 3.828045e-06 ; 3.832620e-01 9.527270e-02 1.290403e-02 1.486091e-02 0.000485 0.001190 True native_MD 7 126 174 CB_AB42_14 CG_AB42_19 1 1.495203e-03 4.766825e-06 ; 3.836379e-01 1.172495e-01 8.757566e-03 1.023778e-02 0.000485 0.002332 True native_MD 7 126 175 @@ -29529,9 +29529,9 @@ NE2_AB42_13 O2_AB42_42 1 9.942257e-05 2.686281e-08 ; 2.542598e-01 9.199380 CB_AB42_14 CE1_AB42_19 1 7.410595e-04 1.542535e-06 ; 3.573252e-01 8.900431e-02 9.624373e-03 2.619920e-02 0.000485 0.002332 True native_MD 7 126 178 CB_AB42_14 CE2_AB42_19 1 7.410595e-04 1.542535e-06 ; 3.573252e-01 8.900431e-02 9.624373e-03 2.619920e-02 0.000485 0.002332 True native_MD 7 126 179 CB_AB42_14 CZ_AB42_19 1 7.178928e-04 1.663981e-06 ; 3.637878e-01 7.743028e-02 8.712195e-03 3.353258e-02 0.000485 0.002332 True native_MD 7 126 180 - CB_AB42_14 C_AB42_19 1 0.000000e+00 6.327934e-06 ; 3.285490e-01 -6.327934e-06 3.375658e-03 2.424140e-03 0.000485 0.000060 True native_MD 7 126 181 + CB_AB42_14 C_AB42_19 1 0.000000e+00 6.327828e-06 ; 3.285486e-01 -6.327828e-06 3.375658e-03 2.424140e-03 0.000485 0.000060 True native_MD 7 126 181 CB_AB42_14 O_AB42_19 1 3.339382e-04 2.728903e-07 ; 3.057645e-01 1.021608e-01 3.826037e-03 3.586463e-03 0.000485 0.001191 True native_MD 7 126 182 - CB_AB42_14 N_AB42_20 1 0.000000e+00 3.676679e-06 ; 3.140145e-01 -3.676679e-06 7.875370e-04 9.500536e-04 0.000485 0.000060 True native_MD 7 126 183 + CB_AB42_14 N_AB42_20 1 0.000000e+00 3.676631e-06 ; 3.140141e-01 -3.676631e-06 7.875370e-04 9.500536e-04 0.000485 0.000060 True native_MD 7 126 183 CB_AB42_14 CA_AB42_20 1 2.266515e-03 1.668164e-05 ; 4.410421e-01 7.698717e-02 4.626523e-03 7.899311e-03 0.000485 0.001021 True native_MD 7 126 185 CB_AB42_14 CB_AB42_20 1 1.490776e-03 5.431231e-06 ; 3.922663e-01 1.022979e-01 9.795122e-03 9.141673e-03 0.000485 0.001190 True native_MD 7 126 186 CB_AB42_14 CG_AB42_20 1 1.067185e-03 2.243397e-06 ; 3.579132e-01 1.269151e-01 7.825604e-03 6.850450e-03 0.000485 0.002332 True native_MD 7 126 187 @@ -29540,80 +29540,80 @@ NE2_AB42_13 O2_AB42_42 1 9.942257e-05 2.686281e-08 ; 2.542598e-01 9.199380 CB_AB42_14 CE1_AB42_20 1 6.225296e-04 9.431927e-07 ; 3.389014e-01 1.027211e-01 8.695740e-03 1.570182e-02 0.000485 0.002332 True native_MD 7 126 190 CB_AB42_14 CE2_AB42_20 1 6.225296e-04 9.431927e-07 ; 3.389014e-01 1.027211e-01 8.695740e-03 1.570182e-02 0.000485 0.002332 True native_MD 7 126 191 CB_AB42_14 CZ_AB42_20 1 6.987938e-04 1.223944e-06 ; 3.471912e-01 9.974162e-02 8.921576e-03 1.761197e-02 0.000485 0.002332 True native_MD 7 126 192 - CB_AB42_14 C_AB42_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 193 + CB_AB42_14 C_AB42_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 193 CB_AB42_14 O_AB42_20 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 6.871809e-05 1.626174e-03 0.000485 0.001191 True native_MD 7 126 194 - CB_AB42_14 N_AB42_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 195 - CB_AB42_14 CA_AB42_21 1 0.000000e+00 3.192015e-05 ; 3.759820e-01 -3.192015e-05 1.423946e-03 4.771609e-03 0.000485 0.001021 True native_MD 7 126 197 + CB_AB42_14 N_AB42_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 195 + CB_AB42_14 CA_AB42_21 1 0.000000e+00 3.192002e-05 ; 3.759819e-01 -3.192002e-05 1.423946e-03 4.771609e-03 0.000485 0.001021 True native_MD 7 126 197 CB_AB42_14 CB_AB42_21 1 6.661454e-04 1.160559e-06 ; 3.468830e-01 9.558966e-02 2.335235e-03 5.219456e-03 0.000485 0.002332 True native_MD 7 126 198 - CB_AB42_14 C_AB42_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 199 + CB_AB42_14 C_AB42_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 199 CB_AB42_14 O_AB42_21 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.284913e-04 0.000485 0.001191 True native_MD 7 126 200 CB_AB42_14 N_AB42_22 1 1.163266e-03 4.424437e-06 ; 3.950904e-01 7.646101e-02 7.511570e-04 7.620658e-05 0.000485 0.000060 True native_MD 7 126 201 CB_AB42_14 CA_AB42_22 1 1.935565e-03 9.814751e-06 ; 4.144880e-01 9.542811e-02 1.038319e-03 9.940405e-04 0.000485 0.001021 True native_MD 7 126 203 CB_AB42_14 CB_AB42_22 1 1.750545e-03 7.856193e-06 ; 4.061376e-01 9.751564e-02 1.105253e-03 1.180591e-03 0.000485 0.001190 True native_MD 7 126 204 CB_AB42_14 CG_AB42_22 1 6.721619e-04 1.346998e-06 ; 3.550712e-01 8.385343e-02 1.250773e-03 2.027267e-03 0.000485 0.001190 True native_MD 7 126 205 - CB_AB42_14 CD_AB42_22 1 0.000000e+00 6.340795e-06 ; 3.286046e-01 -6.340795e-06 1.011187e-03 2.090109e-03 0.000485 0.000060 True native_MD 7 126 206 - CB_AB42_14 OE1_AB42_22 1 0.000000e+00 1.633209e-06 ; 2.934822e-01 -1.633209e-06 5.336829e-04 1.488081e-03 0.000485 0.000060 True native_MD 7 126 207 - CB_AB42_14 OE2_AB42_22 1 0.000000e+00 1.633209e-06 ; 2.934822e-01 -1.633209e-06 5.336829e-04 1.488081e-03 0.000485 0.000060 True native_MD 7 126 208 - CB_AB42_14 C_AB42_22 1 0.000000e+00 6.330895e-06 ; 3.285618e-01 -6.330895e-06 8.262266e-04 3.422102e-04 0.000485 0.000060 True native_MD 7 126 209 + CB_AB42_14 CD_AB42_22 1 0.000000e+00 6.340688e-06 ; 3.286041e-01 -6.340688e-06 1.011187e-03 2.090109e-03 0.000485 0.000060 True native_MD 7 126 206 + CB_AB42_14 OE1_AB42_22 1 0.000000e+00 1.633204e-06 ; 2.934822e-01 -1.633204e-06 5.336829e-04 1.488081e-03 0.000485 0.000060 True native_MD 7 126 207 + CB_AB42_14 OE2_AB42_22 1 0.000000e+00 1.633204e-06 ; 2.934822e-01 -1.633204e-06 5.336829e-04 1.488081e-03 0.000485 0.000060 True native_MD 7 126 208 + CB_AB42_14 C_AB42_22 1 0.000000e+00 6.330789e-06 ; 3.285614e-01 -6.330789e-06 8.262266e-04 3.422102e-04 0.000485 0.000060 True native_MD 7 126 209 CB_AB42_14 O_AB42_22 1 3.462549e-04 3.413867e-07 ; 3.154824e-01 8.779813e-02 8.263547e-04 2.510159e-04 0.000485 0.001191 True native_MD 7 126 210 - CB_AB42_14 N_AB42_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 211 + CB_AB42_14 N_AB42_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 211 CB_AB42_14 CA_AB42_23 1 4.342103e-03 4.906015e-05 ; 4.737015e-01 9.607521e-02 1.058622e-03 5.540013e-04 0.000485 0.001021 True native_MD 7 126 213 CB_AB42_14 CB_AB42_23 1 1.230563e-03 4.299903e-06 ; 3.895464e-01 8.804180e-02 8.324026e-04 9.500793e-04 0.000485 0.001190 True native_MD 7 126 214 - CB_AB42_14 CG_AB42_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 215 - CB_AB42_14 OD1_AB42_23 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 216 - CB_AB42_14 OD2_AB42_23 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 217 - CB_AB42_14 C_AB42_23 1 0.000000e+00 6.331006e-06 ; 3.285623e-01 -6.331006e-06 5.989990e-04 1.324316e-04 0.000485 0.000060 True native_MD 7 126 218 + CB_AB42_14 CG_AB42_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 215 + CB_AB42_14 OD1_AB42_23 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 216 + CB_AB42_14 OD2_AB42_23 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 217 + CB_AB42_14 C_AB42_23 1 0.000000e+00 6.330900e-06 ; 3.285618e-01 -6.330900e-06 5.989990e-04 1.324316e-04 0.000485 0.000060 True native_MD 7 126 218 CB_AB42_14 O_AB42_23 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 4.131009e-04 1.837468e-04 0.000485 0.001191 True native_MD 7 126 219 - CB_AB42_14 N_AB42_24 1 0.000000e+00 3.674558e-06 ; 3.139994e-01 -3.674558e-06 5.145540e-04 9.997130e-05 0.000485 0.000060 True native_MD 7 126 220 + CB_AB42_14 N_AB42_24 1 0.000000e+00 3.674509e-06 ; 3.139990e-01 -3.674509e-06 5.145540e-04 9.997130e-05 0.000485 0.000060 True native_MD 7 126 220 CB_AB42_14 CA_AB42_24 1 3.350929e-03 2.501962e-05 ; 4.420987e-01 1.121992e-01 1.874272e-03 1.115649e-03 0.000485 0.001021 True native_MD 7 126 222 CB_AB42_14 CB_AB42_24 1 2.369037e-03 1.304099e-05 ; 4.202004e-01 1.075903e-01 3.181412e-03 2.173781e-03 0.000485 0.001021 True native_MD 7 126 223 CB_AB42_14 CG1_AB42_24 1 1.241381e-03 3.153427e-06 ; 3.693853e-01 1.221707e-01 2.311510e-03 1.697339e-03 0.000485 0.002332 True native_MD 7 126 224 CB_AB42_14 CG2_AB42_24 1 1.178279e-03 2.704279e-06 ; 3.631900e-01 1.283467e-01 2.780756e-03 1.961993e-03 0.000485 0.002332 True native_MD 7 126 225 - CB_AB42_14 C_AB42_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 226 + CB_AB42_14 C_AB42_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 226 CB_AB42_14 O_AB42_24 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 2.752434e-04 5.897243e-04 0.000485 0.001191 True native_MD 7 126 227 - CB_AB42_14 N_AB42_25 1 0.000000e+00 3.676332e-06 ; 3.140120e-01 -3.676332e-06 5.094917e-04 5.776498e-04 0.000485 0.000060 True native_MD 7 126 228 + CB_AB42_14 N_AB42_25 1 0.000000e+00 3.676284e-06 ; 3.140116e-01 -3.676284e-06 5.094917e-04 5.776498e-04 0.000485 0.000060 True native_MD 7 126 228 CB_AB42_14 CA_AB42_25 1 8.914281e-04 1.868895e-06 ; 3.577529e-01 1.062986e-01 1.873933e-03 1.551578e-03 0.000485 0.001190 True native_MD 7 126 230 - CB_AB42_14 C_AB42_25 1 0.000000e+00 6.326676e-06 ; 3.285436e-01 -6.326676e-06 2.013687e-03 8.635318e-04 0.000485 0.000060 True native_MD 7 126 231 + CB_AB42_14 C_AB42_25 1 0.000000e+00 6.326570e-06 ; 3.285431e-01 -6.326570e-06 2.013687e-03 8.635318e-04 0.000485 0.000060 True native_MD 7 126 231 CB_AB42_14 O_AB42_25 1 2.399773e-04 1.272531e-07 ; 2.845005e-01 1.131389e-01 1.764057e-03 7.137381e-04 0.000485 0.001191 True native_MD 7 126 232 - CB_AB42_14 N_AB42_26 1 0.000000e+00 3.671988e-06 ; 3.139811e-01 -3.671988e-06 1.359093e-03 2.456281e-04 0.000485 0.000060 True native_MD 7 126 233 + CB_AB42_14 N_AB42_26 1 0.000000e+00 3.671940e-06 ; 3.139807e-01 -3.671940e-06 1.359093e-03 2.456281e-04 0.000485 0.000060 True native_MD 7 126 233 CB_AB42_14 CA_AB42_26 1 2.014321e-03 8.433947e-06 ; 4.014675e-01 1.202726e-01 2.952079e-03 1.380056e-03 0.000485 0.001021 True native_MD 7 126 235 CB_AB42_14 CB_AB42_26 1 1.846347e-03 6.601959e-06 ; 3.910448e-01 1.290904e-01 2.923791e-03 1.223908e-03 0.000485 0.001190 True native_MD 7 126 236 - CB_AB42_14 OG_AB42_26 1 0.000000e+00 2.779997e-06 ; 3.067835e-01 -2.779997e-06 2.039568e-03 7.788667e-04 0.000485 0.000060 True native_MD 7 126 237 - CB_AB42_14 C_AB42_26 1 0.000000e+00 6.330966e-06 ; 3.285621e-01 -6.330966e-06 6.240436e-04 1.511398e-04 0.000485 0.000060 True native_MD 7 126 238 + CB_AB42_14 OG_AB42_26 1 0.000000e+00 2.779955e-06 ; 3.067831e-01 -2.779955e-06 2.039568e-03 7.788667e-04 0.000485 0.000060 True native_MD 7 126 237 + CB_AB42_14 C_AB42_26 1 0.000000e+00 6.330859e-06 ; 3.285617e-01 -6.330859e-06 6.240436e-04 1.511398e-04 0.000485 0.000060 True native_MD 7 126 238 CB_AB42_14 O_AB42_26 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 3.483239e-04 3.103224e-04 0.000485 0.001191 True native_MD 7 126 239 - CB_AB42_14 N_AB42_27 1 0.000000e+00 3.674686e-06 ; 3.140003e-01 -3.674686e-06 4.855183e-04 1.059589e-04 0.000485 0.000060 True native_MD 7 126 240 + CB_AB42_14 N_AB42_27 1 0.000000e+00 3.674638e-06 ; 3.139999e-01 -3.674638e-06 4.855183e-04 1.059589e-04 0.000485 0.000060 True native_MD 7 126 240 CB_AB42_14 CA_AB42_27 1 3.327365e-03 2.340794e-05 ; 4.377342e-01 1.182436e-01 2.055211e-03 9.453912e-04 0.000485 0.001021 True native_MD 7 126 242 CB_AB42_14 CB_AB42_27 1 1.558043e-03 5.090933e-06 ; 3.852148e-01 1.192070e-01 2.115325e-03 1.136826e-03 0.000485 0.001190 True native_MD 7 126 243 - CB_AB42_14 CG_AB42_27 1 0.000000e+00 6.332626e-06 ; 3.285693e-01 -6.332626e-06 1.543698e-03 1.332862e-03 0.000485 0.000060 True native_MD 7 126 244 + CB_AB42_14 CG_AB42_27 1 0.000000e+00 6.332519e-06 ; 3.285688e-01 -6.332519e-06 1.543698e-03 1.332862e-03 0.000485 0.000060 True native_MD 7 126 244 CB_AB42_14 OD1_AB42_27 1 3.665928e-04 4.467638e-07 ; 3.268253e-01 7.520208e-02 5.778724e-04 1.213730e-03 0.000485 0.001191 True native_MD 7 126 245 - CB_AB42_14 ND2_AB42_27 1 0.000000e+00 6.328225e-06 ; 3.285503e-01 -6.328225e-06 2.254267e-03 1.813366e-03 0.000485 0.000060 True native_MD 7 126 246 - CB_AB42_14 C_AB42_27 1 0.000000e+00 6.330366e-06 ; 3.285595e-01 -6.330366e-06 7.737658e-04 2.061267e-04 0.000485 0.000060 True native_MD 7 126 247 + CB_AB42_14 ND2_AB42_27 1 0.000000e+00 6.328189e-06 ; 3.285501e-01 -6.328189e-06 2.254267e-03 1.813366e-03 0.000485 0.000060 True native_MD 7 126 246 + CB_AB42_14 C_AB42_27 1 0.000000e+00 6.330259e-06 ; 3.285591e-01 -6.330259e-06 7.737658e-04 2.061267e-04 0.000485 0.000060 True native_MD 7 126 247 CB_AB42_14 O_AB42_27 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 4.135216e-04 4.249620e-04 0.000485 0.001191 True native_MD 7 126 248 - CB_AB42_14 N_AB42_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 249 + CB_AB42_14 N_AB42_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 249 CB_AB42_14 CA_AB42_28 1 4.500710e-03 4.214032e-05 ; 4.590953e-01 1.201722e-01 2.177319e-03 4.955064e-04 0.000485 0.001021 True native_MD 7 126 251 CB_AB42_14 CB_AB42_28 1 1.930968e-03 8.733189e-06 ; 4.066614e-01 1.067376e-01 1.456519e-03 3.297552e-04 0.000485 0.001190 True native_MD 7 126 252 CB_AB42_14 CG_AB42_28 1 1.910332e-03 8.597020e-06 ; 4.063247e-01 1.061231e-01 1.429980e-03 4.850086e-04 0.000485 0.001190 True native_MD 7 126 253 CB_AB42_14 CD_AB42_28 1 1.951780e-03 8.434159e-06 ; 4.035851e-01 1.129171e-01 1.752386e-03 7.916006e-04 0.000485 0.001190 True native_MD 7 126 254 CB_AB42_14 CE_AB42_28 1 1.703238e-03 7.468521e-06 ; 4.045696e-01 9.710821e-02 1.178272e-03 1.284429e-03 0.000485 0.001190 True native_MD 7 126 255 - CB_AB42_14 NZ_AB42_28 1 0.000000e+00 3.676658e-06 ; 3.140143e-01 -3.676658e-06 5.918421e-04 7.485824e-04 0.000485 0.000060 True native_MD 7 126 256 - CB_AB42_14 C_AB42_28 1 0.000000e+00 6.328940e-06 ; 3.285534e-01 -6.328940e-06 1.034696e-03 2.419390e-04 0.000485 0.000060 True native_MD 7 126 257 + CB_AB42_14 NZ_AB42_28 1 0.000000e+00 3.676609e-06 ; 3.140140e-01 -3.676609e-06 5.918421e-04 7.485824e-04 0.000485 0.000060 True native_MD 7 126 256 + CB_AB42_14 C_AB42_28 1 0.000000e+00 6.328834e-06 ; 3.285529e-01 -6.328834e-06 1.034696e-03 2.419390e-04 0.000485 0.000060 True native_MD 7 126 257 CB_AB42_14 O_AB42_28 1 7.030437e-04 1.251295e-06 ; 3.481205e-01 9.875181e-02 1.146906e-03 3.366038e-04 0.000485 0.001191 True native_MD 7 126 258 - CB_AB42_14 N_AB42_29 1 0.000000e+00 3.673374e-06 ; 3.139909e-01 -3.673374e-06 8.660480e-04 1.294210e-04 0.000485 0.000060 True native_MD 7 126 259 + CB_AB42_14 N_AB42_29 1 0.000000e+00 3.673325e-06 ; 3.139906e-01 -3.673325e-06 8.660480e-04 1.294210e-04 0.000485 0.000060 True native_MD 7 126 259 CB_AB42_14 CA_AB42_29 1 1.597862e-03 5.297795e-06 ; 3.861529e-01 1.204823e-01 2.243871e-03 1.215282e-03 0.000485 0.001190 True native_MD 7 126 261 - CB_AB42_14 C_AB42_29 1 0.000000e+00 6.333957e-06 ; 3.285751e-01 -6.333957e-06 6.032274e-04 6.025345e-04 0.000485 0.000060 True native_MD 7 126 262 + CB_AB42_14 C_AB42_29 1 0.000000e+00 6.333850e-06 ; 3.285746e-01 -6.333850e-06 6.032274e-04 6.025345e-04 0.000485 0.000060 True native_MD 7 126 262 CB_AB42_14 O_AB42_29 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 2.753238e-04 8.451873e-04 0.000485 0.001191 True native_MD 7 126 263 - CB_AB42_14 N_AB42_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 264 + CB_AB42_14 N_AB42_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 264 CB_AB42_14 CA_AB42_30 1 3.108957e-03 1.677318e-05 ; 4.187937e-01 1.440636e-01 5.730767e-03 1.314552e-03 0.000485 0.001021 True native_MD 7 126 266 CB_AB42_14 CB_AB42_30 1 1.686495e-03 4.717592e-06 ; 3.753668e-01 1.507266e-01 5.432840e-03 1.039445e-03 0.000485 0.002332 True native_MD 7 126 267 - CB_AB42_14 C_AB42_30 1 0.000000e+00 6.328409e-06 ; 3.285511e-01 -6.328409e-06 1.121630e-03 2.450657e-04 0.000485 0.000060 True native_MD 7 126 268 + CB_AB42_14 C_AB42_30 1 0.000000e+00 6.328303e-06 ; 3.285506e-01 -6.328303e-06 1.121630e-03 2.450657e-04 0.000485 0.000060 True native_MD 7 126 268 CB_AB42_14 O_AB42_30 1 9.431848e-04 2.371902e-06 ; 3.687653e-01 9.376415e-02 9.878817e-04 3.588666e-04 0.000485 0.001191 True native_MD 7 126 269 - CB_AB42_14 N_AB42_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 270 + CB_AB42_14 N_AB42_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 270 CB_AB42_14 CA_AB42_31 1 3.561154e-03 2.200827e-05 ; 4.283833e-01 1.440574e-01 4.449890e-03 7.179537e-04 0.000485 0.001021 True native_MD 7 126 272 CB_AB42_14 CB_AB42_31 1 3.446574e-03 1.883638e-05 ; 4.196961e-01 1.576586e-01 7.560323e-03 1.154556e-03 0.000485 0.001021 True native_MD 7 126 273 CB_AB42_14 CG1_AB42_31 1 2.494741e-03 1.007580e-05 ; 3.990638e-01 1.544228e-01 6.068270e-03 1.141864e-03 0.000485 0.001190 True native_MD 7 126 274 CB_AB42_14 CG2_AB42_31 1 1.158641e-03 2.146542e-06 ; 3.504546e-01 1.563501e-01 6.428556e-03 9.712272e-04 0.000485 0.002332 True native_MD 7 126 275 CB_AB42_14 CD_AB42_31 1 1.135076e-03 2.017507e-06 ; 3.480421e-01 1.596520e-01 7.096226e-03 1.616625e-03 0.000485 0.002332 True native_MD 7 126 276 - CB_AB42_14 C_AB42_31 1 0.000000e+00 6.327935e-06 ; 3.285490e-01 -6.327935e-06 1.101976e-03 1.505736e-04 0.000485 0.000060 True native_MD 7 126 277 + CB_AB42_14 C_AB42_31 1 0.000000e+00 6.327829e-06 ; 3.285486e-01 -6.327829e-06 1.101976e-03 1.505736e-04 0.000485 0.000060 True native_MD 7 126 277 CB_AB42_14 O_AB42_31 1 3.556361e-04 3.398802e-07 ; 3.138485e-01 9.303057e-02 9.664309e-04 2.522465e-04 0.000485 0.001191 True native_MD 7 126 278 CB_AB42_14 N_AB42_32 1 1.454851e-03 7.025323e-06 ; 4.111257e-01 7.532007e-02 5.688442e-04 3.528337e-05 0.000485 0.000060 True native_MD 7 126 279 CB_AB42_14 CA_AB42_32 1 3.658607e-03 2.454678e-05 ; 4.342900e-01 1.363255e-01 3.530694e-03 6.135555e-04 0.000485 0.001021 True native_MD 7 126 281 @@ -29621,11 +29621,11 @@ NE2_AB42_13 O2_AB42_42 1 9.942257e-05 2.686281e-08 ; 2.542598e-01 9.199380 CB_AB42_14 CG1_AB42_32 1 1.722508e-03 4.859645e-06 ; 3.759014e-01 1.526363e-01 5.752370e-03 8.925348e-04 0.000485 0.001190 True native_MD 7 126 283 CB_AB42_14 CG2_AB42_32 1 1.204314e-03 2.449981e-06 ; 3.559621e-01 1.479983e-01 5.006896e-03 8.181499e-04 0.000485 0.002332 True native_MD 7 126 284 CB_AB42_14 CD_AB42_32 1 1.226597e-03 2.344605e-06 ; 3.522854e-01 1.604257e-01 7.262440e-03 1.237922e-03 0.000485 0.002332 True native_MD 7 126 285 - CB_AB42_14 C_AB42_32 1 0.000000e+00 6.327367e-06 ; 3.285466e-01 -6.327367e-06 1.340362e-03 2.992581e-04 0.000485 0.000060 True native_MD 7 126 286 + CB_AB42_14 C_AB42_32 1 0.000000e+00 6.327261e-06 ; 3.285461e-01 -6.327261e-06 1.340362e-03 2.992581e-04 0.000485 0.000060 True native_MD 7 126 286 CB_AB42_14 O_AB42_32 1 3.700100e-04 3.546243e-07 ; 3.139973e-01 9.651578e-02 1.072672e-03 3.964849e-04 0.000485 0.001191 True native_MD 7 126 287 - CB_AB42_14 N_AB42_33 1 0.000000e+00 3.671506e-06 ; 3.139776e-01 -3.671506e-06 1.444526e-03 1.999004e-04 0.000485 0.000060 True native_MD 7 126 288 + CB_AB42_14 N_AB42_33 1 0.000000e+00 3.671458e-06 ; 3.139773e-01 -3.671458e-06 1.444526e-03 1.999004e-04 0.000485 0.000060 True native_MD 7 126 288 CB_AB42_14 CA_AB42_33 1 1.539105e-03 4.079919e-06 ; 3.720179e-01 1.451527e-01 4.598171e-03 1.158549e-03 0.000485 0.001190 True native_MD 7 126 290 - CB_AB42_14 C_AB42_33 1 0.000000e+00 6.316923e-06 ; 3.285013e-01 -6.316923e-06 3.243342e-03 5.533233e-04 0.000485 0.000060 True native_MD 7 126 291 + CB_AB42_14 C_AB42_33 1 0.000000e+00 6.316817e-06 ; 3.285009e-01 -6.316817e-06 3.243342e-03 5.533233e-04 0.000485 0.000060 True native_MD 7 126 291 CB_AB42_14 O_AB42_33 1 9.163842e-04 1.715962e-06 ; 3.510791e-01 1.223454e-01 2.323621e-03 4.101166e-04 0.000485 0.001191 True native_MD 7 126 292 CB_AB42_14 N_AB42_34 1 6.287031e-04 1.280685e-06 ; 3.560405e-01 7.715940e-02 2.178700e-03 2.164624e-04 0.000485 0.000060 True native_MD 7 126 293 CB_AB42_14 CA_AB42_34 1 4.608356e-03 2.796726e-05 ; 4.270879e-01 1.898376e-01 1.751215e-02 5.001642e-04 0.000485 0.001021 True native_MD 7 126 295 @@ -29680,47 +29680,47 @@ NE2_AB42_13 O2_AB42_42 1 9.942257e-05 2.686281e-08 ; 2.542598e-01 9.199380 CB_AB42_14 CD_AB42_41 1 1.404982e-03 3.254076e-06 ; 3.637415e-01 1.516540e-01 5.585728e-03 8.746610e-04 0.000485 0.002332 True native_MD 7 126 351 CB_AB42_14 C_AB42_41 1 1.545879e-03 6.364754e-06 ; 4.003449e-01 9.386625e-02 1.075691e-03 6.482450e-05 0.000485 0.000060 True native_MD 7 126 352 CB_AB42_14 O_AB42_41 1 6.264575e-04 1.079178e-06 ; 3.462318e-01 9.091389e-02 9.071122e-04 1.001745e-04 0.000485 0.001191 True native_MD 7 126 353 - CB_AB42_14 N_AB42_42 1 0.000000e+00 3.674181e-06 ; 3.139967e-01 -3.674181e-06 6.392661e-04 1.221650e-04 0.000485 0.000060 True native_MD 7 126 354 + CB_AB42_14 N_AB42_42 1 0.000000e+00 3.674132e-06 ; 3.139963e-01 -3.674132e-06 6.392661e-04 1.221650e-04 0.000485 0.000060 True native_MD 7 126 354 CB_AB42_14 CA_AB42_42 1 2.455120e-03 1.295867e-05 ; 4.172676e-01 1.162854e-01 1.938231e-03 9.275793e-04 0.000485 0.001021 True native_MD 7 126 356 CB_AB42_14 CB_AB42_42 1 1.799288e-03 6.779425e-06 ; 3.944712e-01 1.193847e-01 2.126604e-03 7.250173e-04 0.000485 0.002332 True native_MD 7 126 357 - CB_AB42_14 C_AB42_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 358 - CB_AB42_14 O1_AB42_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 359 - CB_AB42_14 O2_AB42_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 360 - CG_AB42_14 O_AB42_14 1 0.000000e+00 6.559662e-07 ; 2.719997e-01 -6.559662e-07 8.608600e-01 6.541025e-01 0.000485 0.000060 True native_MD 4 127 133 - CG_AB42_14 N_AB42_15 1 0.000000e+00 1.362392e-06 ; 2.890814e-01 -1.362392e-06 7.498465e-01 6.532004e-01 0.000485 0.000060 True native_MD 4 127 134 - CG_AB42_14 CA_AB42_15 1 0.000000e+00 1.089569e-05 ; 3.437686e-01 -1.089569e-05 4.804837e-01 3.152834e-01 0.000485 0.000060 True native_MD 5 127 136 - CG_AB42_14 CB_AB42_15 1 0.000000e+00 5.461030e-06 ; 3.245397e-01 -5.461030e-06 1.866842e-01 4.886672e-02 0.000485 0.000060 True native_MD 6 127 137 - CG_AB42_14 CG_AB42_15 1 0.000000e+00 5.770911e-06 ; 3.260359e-01 -5.770911e-06 1.442961e-01 5.540232e-02 0.000485 0.000060 True native_MD 7 127 138 + CB_AB42_14 C_AB42_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 358 + CB_AB42_14 O1_AB42_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 359 + CB_AB42_14 O2_AB42_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 360 + CG_AB42_14 O_AB42_14 1 0.000000e+00 6.559632e-07 ; 2.719996e-01 -6.559632e-07 8.608600e-01 6.541025e-01 0.000485 0.000060 True native_MD 4 127 133 + CG_AB42_14 N_AB42_15 1 0.000000e+00 1.362373e-06 ; 2.890811e-01 -1.362373e-06 7.498465e-01 6.532004e-01 0.000485 0.000060 True native_MD 4 127 134 + CG_AB42_14 CA_AB42_15 1 0.000000e+00 1.089564e-05 ; 3.437685e-01 -1.089564e-05 4.804837e-01 3.152834e-01 0.000485 0.000060 True native_MD 5 127 136 + CG_AB42_14 CB_AB42_15 1 0.000000e+00 5.460939e-06 ; 3.245393e-01 -5.460939e-06 1.866842e-01 4.886672e-02 0.000485 0.000060 True native_MD 6 127 137 + CG_AB42_14 CG_AB42_15 1 0.000000e+00 5.770814e-06 ; 3.260354e-01 -5.770814e-06 1.442961e-01 5.540232e-02 0.000485 0.000060 True native_MD 7 127 138 CG_AB42_14 CD_AB42_15 1 3.111285e-03 1.311354e-05 ; 4.019111e-01 1.845438e-01 2.420032e-02 3.507050e-03 0.000485 0.002166 True native_MD 7 127 139 CG_AB42_14 OE1_AB42_15 1 1.317103e-03 2.460096e-06 ; 3.509312e-01 1.762900e-01 1.167524e-02 1.949875e-03 0.000485 0.002166 True native_MD 7 127 140 CG_AB42_14 NE2_AB42_15 1 8.836129e-04 1.169932e-06 ; 3.313725e-01 1.668413e-01 1.785018e-02 4.393895e-03 0.000485 0.002166 True native_MD 7 127 141 - CG_AB42_14 C_AB42_15 1 0.000000e+00 2.209384e-06 ; 3.009661e-01 -2.209384e-06 1.931862e-01 4.341675e-02 0.000485 0.000060 True native_MD 6 127 142 + CG_AB42_14 C_AB42_15 1 0.000000e+00 2.209344e-06 ; 3.009657e-01 -2.209344e-06 1.931862e-01 4.341675e-02 0.000485 0.000060 True native_MD 6 127 142 CG_AB42_14 O_AB42_15 1 1.081442e-03 1.720819e-06 ; 3.416819e-01 1.699069e-01 1.407361e-01 3.160597e-02 0.000485 0.002166 True native_MD 7 127 143 CG_AB42_14 N_AB42_16 1 1.150717e-03 2.544267e-06 ; 3.609378e-01 1.301110e-01 5.287908e-02 3.907110e-02 0.000485 0.002166 True native_MD 7 127 144 CG_AB42_14 CA_AB42_16 1 3.241191e-03 2.238064e-05 ; 4.363764e-01 1.173483e-01 8.043526e-02 5.382043e-02 0.000485 0.001339 True native_MD 7 127 146 - CG_AB42_14 CB_AB42_16 1 0.000000e+00 6.351756e-06 ; 3.286519e-01 -6.351756e-06 3.878387e-02 4.159330e-02 0.000485 0.000060 True native_MD 7 127 147 - CG_AB42_14 CG_AB42_16 1 0.000000e+00 6.314370e-06 ; 3.284903e-01 -6.314370e-06 4.242513e-02 3.933210e-02 0.000485 0.000060 True native_MD 7 127 148 - CG_AB42_14 CD_AB42_16 1 0.000000e+00 6.348548e-06 ; 3.286381e-01 -6.348548e-06 2.227642e-02 2.457947e-02 0.000485 0.000060 True native_MD 7 127 149 - CG_AB42_14 CE_AB42_16 1 0.000000e+00 6.361308e-06 ; 3.286931e-01 -6.361308e-06 2.478569e-02 2.910320e-02 0.000485 0.000060 True native_MD 7 127 150 + CG_AB42_14 CB_AB42_16 1 0.000000e+00 6.351649e-06 ; 3.286514e-01 -6.351649e-06 3.878387e-02 4.159330e-02 0.000485 0.000060 True native_MD 7 127 147 + CG_AB42_14 CG_AB42_16 1 0.000000e+00 6.314264e-06 ; 3.284898e-01 -6.314264e-06 4.242513e-02 3.933210e-02 0.000485 0.000060 True native_MD 7 127 148 + CG_AB42_14 CD_AB42_16 1 0.000000e+00 6.348442e-06 ; 3.286376e-01 -6.348442e-06 2.227642e-02 2.457947e-02 0.000485 0.000060 True native_MD 7 127 149 + CG_AB42_14 CE_AB42_16 1 0.000000e+00 6.361201e-06 ; 3.286926e-01 -6.361201e-06 2.478569e-02 2.910320e-02 0.000485 0.000060 True native_MD 7 127 150 CG_AB42_14 NZ_AB42_16 1 4.804420e-04 5.256951e-07 ; 3.210077e-01 1.097711e-01 1.213603e-02 1.648162e-02 0.000485 0.002166 True native_MD 7 127 151 CG_AB42_14 C_AB42_16 1 2.236359e-03 1.055161e-05 ; 4.095399e-01 1.184961e-01 1.025589e-02 1.072738e-02 0.000485 0.002166 True native_MD 7 127 152 CG_AB42_14 O_AB42_16 1 5.430270e-04 8.046100e-07 ; 3.376453e-01 9.162150e-02 1.008111e-02 2.356790e-02 0.000485 0.002166 True native_MD 7 127 153 CG_AB42_14 N_AB42_17 1 7.592025e-04 1.139513e-06 ; 3.383714e-01 1.264550e-01 7.413750e-03 6.111186e-03 0.000485 0.002166 True native_MD 7 127 154 CG_AB42_14 CA_AB42_17 1 1.502575e-03 7.051794e-06 ; 4.091764e-01 8.004099e-02 1.539907e-02 3.146777e-02 0.000485 0.001339 True native_MD 7 127 156 - CG_AB42_14 CB_AB42_17 1 0.000000e+00 6.499875e-06 ; 3.292838e-01 -6.499875e-06 2.435269e-02 5.054696e-02 0.000485 0.000060 True native_MD 7 127 157 - CG_AB42_14 CG_AB42_17 1 0.000000e+00 1.360044e-05 ; 3.501798e-01 -1.360044e-05 3.465301e-02 7.668319e-02 0.000485 0.000060 True native_MD 7 127 158 - CG_AB42_14 CD1_AB42_17 1 0.000000e+00 4.943909e-06 ; 3.218604e-01 -4.943909e-06 2.005279e-02 6.613566e-02 0.000485 0.000060 True native_MD 7 127 159 - CG_AB42_14 CD2_AB42_17 1 0.000000e+00 4.725269e-06 ; 3.206495e-01 -4.725269e-06 2.453599e-02 2.435693e-02 0.000485 0.000060 True native_MD 7 127 160 + CG_AB42_14 CB_AB42_17 1 0.000000e+00 6.499765e-06 ; 3.292834e-01 -6.499765e-06 2.435269e-02 5.054696e-02 0.000485 0.000060 True native_MD 7 127 157 + CG_AB42_14 CG_AB42_17 1 0.000000e+00 1.360037e-05 ; 3.501796e-01 -1.360037e-05 3.465301e-02 7.668319e-02 0.000485 0.000060 True native_MD 7 127 158 + CG_AB42_14 CD1_AB42_17 1 0.000000e+00 4.943844e-06 ; 3.218600e-01 -4.943844e-06 2.005279e-02 6.613566e-02 0.000485 0.000060 True native_MD 7 127 159 + CG_AB42_14 CD2_AB42_17 1 0.000000e+00 4.725208e-06 ; 3.206491e-01 -4.725208e-06 2.453599e-02 2.435693e-02 0.000485 0.000060 True native_MD 7 127 160 CG_AB42_14 C_AB42_17 1 8.872621e-04 2.262368e-06 ; 3.696170e-01 8.699227e-02 3.216722e-03 8.637322e-03 0.000485 0.002166 True native_MD 7 127 161 CG_AB42_14 O_AB42_17 1 5.313217e-04 7.754505e-07 ; 3.367954e-01 9.101250e-02 6.934674e-03 1.651025e-02 0.000485 0.002166 True native_MD 7 127 162 CG_AB42_14 CA_AB42_18 1 1.231483e-03 5.334193e-06 ; 4.037446e-01 7.107681e-02 4.103871e-03 1.096654e-02 0.000485 0.001339 True native_MD 7 127 165 - CG_AB42_14 CB_AB42_18 1 0.000000e+00 1.308453e-05 ; 3.490531e-01 -1.308453e-05 9.318818e-03 1.182162e-02 0.000485 0.000060 True native_MD 7 127 166 - CG_AB42_14 CG1_AB42_18 1 0.000000e+00 4.753299e-06 ; 3.208076e-01 -4.753299e-06 5.488026e-03 1.123974e-02 0.000485 0.000060 True native_MD 7 127 167 - CG_AB42_14 CG2_AB42_18 1 0.000000e+00 4.752175e-06 ; 3.208012e-01 -4.752175e-06 9.124290e-03 1.463829e-02 0.000485 0.000060 True native_MD 7 127 168 + CG_AB42_14 CB_AB42_18 1 0.000000e+00 1.308446e-05 ; 3.490530e-01 -1.308446e-05 9.318818e-03 1.182162e-02 0.000485 0.000060 True native_MD 7 127 166 + CG_AB42_14 CG1_AB42_18 1 0.000000e+00 4.753237e-06 ; 3.208072e-01 -4.753237e-06 5.488026e-03 1.123974e-02 0.000485 0.000060 True native_MD 7 127 167 + CG_AB42_14 CG2_AB42_18 1 0.000000e+00 4.752113e-06 ; 3.208009e-01 -4.752113e-06 9.124290e-03 1.463829e-02 0.000485 0.000060 True native_MD 7 127 168 CG_AB42_14 C_AB42_18 1 1.173735e-03 3.762760e-06 ; 3.839925e-01 9.153216e-02 9.240522e-04 2.123186e-03 0.000485 0.002166 True native_MD 7 127 169 CG_AB42_14 N_AB42_19 1 1.145991e-03 2.885174e-06 ; 3.688347e-01 1.137968e-01 1.799132e-03 1.040409e-03 0.000485 0.002166 True native_MD 7 127 171 CG_AB42_14 CA_AB42_19 1 2.505335e-03 1.574704e-05 ; 4.295914e-01 9.964892e-02 7.695469e-03 8.745182e-03 0.000485 0.001339 True native_MD 7 127 173 - CG_AB42_14 CB_AB42_19 1 0.000000e+00 6.323295e-06 ; 3.285289e-01 -6.323295e-06 1.212399e-02 1.044002e-02 0.000485 0.000060 True native_MD 7 127 174 + CG_AB42_14 CB_AB42_19 1 0.000000e+00 6.323189e-06 ; 3.285285e-01 -6.323189e-06 1.212399e-02 1.044002e-02 0.000485 0.000060 True native_MD 7 127 174 CG_AB42_14 CG_AB42_19 1 1.574930e-03 4.330270e-06 ; 3.742906e-01 1.432016e-01 7.058724e-03 5.385692e-03 0.000485 0.003309 True native_MD 7 127 175 CG_AB42_14 CD1_AB42_19 1 7.439892e-04 1.177167e-06 ; 3.413594e-01 1.175534e-01 6.502256e-03 1.068858e-02 0.000485 0.003309 True native_MD 7 127 176 CG_AB42_14 CD2_AB42_19 1 7.439892e-04 1.177167e-06 ; 3.413594e-01 1.175534e-01 6.502256e-03 1.068858e-02 0.000485 0.003309 True native_MD 7 127 177 @@ -29731,60 +29731,60 @@ NE2_AB42_13 O2_AB42_42 1 9.942257e-05 2.686281e-08 ; 2.542598e-01 9.199380 CG_AB42_14 O_AB42_19 1 4.263333e-04 4.024881e-07 ; 3.132088e-01 1.128978e-01 2.519472e-03 3.116026e-03 0.000485 0.002166 True native_MD 7 127 182 CG_AB42_14 N_AB42_20 1 7.102961e-04 1.627498e-06 ; 3.630893e-01 7.749942e-02 6.071803e-04 7.196232e-04 0.000485 0.002166 True native_MD 7 127 183 CG_AB42_14 CA_AB42_20 1 3.088866e-03 2.775591e-05 ; 4.559593e-01 8.593749e-02 2.794847e-03 4.787344e-03 0.000485 0.001339 True native_MD 7 127 185 - CG_AB42_14 CB_AB42_20 1 0.000000e+00 6.329038e-06 ; 3.285538e-01 -6.329038e-06 6.352100e-03 5.574819e-03 0.000485 0.000060 True native_MD 7 127 186 + CG_AB42_14 CB_AB42_20 1 0.000000e+00 6.328932e-06 ; 3.285533e-01 -6.328932e-06 6.352100e-03 5.574819e-03 0.000485 0.000060 True native_MD 7 127 186 CG_AB42_14 CG_AB42_20 1 1.325601e-03 2.898837e-06 ; 3.602759e-01 1.515450e-01 5.567537e-03 2.570081e-03 0.000485 0.003309 True native_MD 7 127 187 CG_AB42_14 CD1_AB42_20 1 8.238229e-04 1.222893e-06 ; 3.377477e-01 1.387456e-01 6.730424e-03 5.867733e-03 0.000485 0.003309 True native_MD 7 127 188 CG_AB42_14 CD2_AB42_20 1 8.238229e-04 1.222893e-06 ; 3.377477e-01 1.387456e-01 6.730424e-03 5.867733e-03 0.000485 0.003309 True native_MD 7 127 189 CG_AB42_14 CE1_AB42_20 1 6.270314e-04 7.941066e-07 ; 3.289260e-01 1.237769e-01 7.426917e-03 1.013397e-02 0.000485 0.003309 True native_MD 7 127 190 CG_AB42_14 CE2_AB42_20 1 6.270314e-04 7.941066e-07 ; 3.289260e-01 1.237769e-01 7.426917e-03 1.013397e-02 0.000485 0.003309 True native_MD 7 127 191 CG_AB42_14 CZ_AB42_20 1 8.506738e-04 1.444870e-06 ; 3.454175e-01 1.252095e-01 8.379526e-03 1.095398e-02 0.000485 0.003309 True native_MD 7 127 192 - CG_AB42_14 CA_AB42_21 1 0.000000e+00 1.308421e-05 ; 3.490524e-01 -1.308421e-05 1.047203e-03 3.525679e-03 0.000485 0.001339 True native_MD 7 127 197 - CG_AB42_14 CB_AB42_21 1 0.000000e+00 4.736596e-06 ; 3.207135e-01 -4.736596e-06 2.037686e-03 4.255152e-03 0.000485 0.000060 True native_MD 7 127 198 + CG_AB42_14 CA_AB42_21 1 0.000000e+00 1.308415e-05 ; 3.490523e-01 -1.308415e-05 1.047203e-03 3.525679e-03 0.000485 0.001339 True native_MD 7 127 197 + CG_AB42_14 CB_AB42_21 1 0.000000e+00 4.736534e-06 ; 3.207131e-01 -4.736534e-06 2.037686e-03 4.255152e-03 0.000485 0.000060 True native_MD 7 127 198 CG_AB42_14 CA_AB42_22 1 8.068886e-04 2.163698e-06 ; 3.727324e-01 7.522645e-02 5.672527e-04 7.176511e-04 0.000485 0.001339 True native_MD 7 127 203 - CG_AB42_14 CB_AB42_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 204 - CG_AB42_14 CG_AB42_22 1 0.000000e+00 6.338816e-06 ; 3.285961e-01 -6.338816e-06 6.162691e-04 1.382732e-03 0.000485 0.000060 True native_MD 7 127 205 + CG_AB42_14 CB_AB42_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 204 + CG_AB42_14 CG_AB42_22 1 0.000000e+00 6.338709e-06 ; 3.285956e-01 -6.338709e-06 6.162691e-04 1.382732e-03 0.000485 0.000060 True native_MD 7 127 205 CG_AB42_14 O_AB42_22 1 4.628345e-04 6.786318e-07 ; 3.370555e-01 7.891459e-02 6.334467e-04 1.885592e-04 0.000485 0.002166 True native_MD 7 127 210 CG_AB42_14 CA_AB42_23 1 2.421006e-03 1.913993e-05 ; 4.463313e-01 7.655817e-02 5.903160e-04 6.222595e-04 0.000485 0.001339 True native_MD 7 127 213 - CG_AB42_14 CB_AB42_23 1 0.000000e+00 6.334315e-06 ; 3.285766e-01 -6.334315e-06 8.379795e-04 8.937926e-04 0.000485 0.000060 True native_MD 7 127 214 + CG_AB42_14 CB_AB42_23 1 0.000000e+00 6.334208e-06 ; 3.285761e-01 -6.334208e-06 8.379795e-04 8.937926e-04 0.000485 0.000060 True native_MD 7 127 214 CG_AB42_14 CA_AB42_24 1 2.151268e-03 1.159079e-05 ; 4.187001e-01 9.981963e-02 1.184148e-03 7.629496e-04 0.000485 0.001339 True native_MD 7 127 222 - CG_AB42_14 CB_AB42_24 1 0.000000e+00 1.304073e-05 ; 3.489556e-01 -1.304073e-05 2.351524e-03 1.498334e-03 0.000485 0.000060 True native_MD 7 127 223 - CG_AB42_14 CG1_AB42_24 1 0.000000e+00 4.724469e-06 ; 3.206450e-01 -4.724469e-06 1.839563e-03 1.491048e-03 0.000485 0.000060 True native_MD 7 127 224 - CG_AB42_14 CG2_AB42_24 1 0.000000e+00 4.718891e-06 ; 3.206134e-01 -4.718891e-06 3.086096e-03 1.557325e-03 0.000485 0.000060 True native_MD 7 127 225 + CG_AB42_14 CB_AB42_24 1 0.000000e+00 1.304066e-05 ; 3.489554e-01 -1.304066e-05 2.351524e-03 1.498334e-03 0.000485 0.000060 True native_MD 7 127 223 + CG_AB42_14 CG1_AB42_24 1 0.000000e+00 4.724407e-06 ; 3.206446e-01 -4.724407e-06 1.839563e-03 1.491048e-03 0.000485 0.000060 True native_MD 7 127 224 + CG_AB42_14 CG2_AB42_24 1 0.000000e+00 4.718829e-06 ; 3.206130e-01 -4.718829e-06 3.086096e-03 1.557325e-03 0.000485 0.000060 True native_MD 7 127 225 CG_AB42_14 CA_AB42_25 1 7.995058e-04 1.380773e-06 ; 3.463779e-01 1.157340e-01 1.982068e-03 1.646643e-03 0.000485 0.001584 True native_MD 7 127 230 CG_AB42_14 C_AB42_25 1 8.414629e-04 1.536567e-06 ; 3.496118e-01 1.152016e-01 1.876375e-03 5.632633e-04 0.000485 0.002166 True native_MD 7 127 231 CG_AB42_14 O_AB42_25 1 2.938976e-04 1.909420e-07 ; 2.942959e-01 1.130917e-01 1.761564e-03 4.692710e-04 0.000485 0.002166 True native_MD 7 127 232 CG_AB42_14 N_AB42_26 1 1.264253e-03 4.021338e-06 ; 3.834918e-01 9.936593e-02 1.168179e-03 1.334587e-04 0.000485 0.002166 True native_MD 7 127 233 CG_AB42_14 CA_AB42_26 1 1.771017e-03 6.020567e-06 ; 3.877654e-01 1.302411e-01 2.942955e-03 6.196087e-04 0.000485 0.001339 True native_MD 7 127 235 - CG_AB42_14 CB_AB42_26 1 0.000000e+00 6.327392e-06 ; 3.285467e-01 -6.327392e-06 1.950614e-03 9.135708e-04 0.000485 0.000060 True native_MD 7 127 236 + CG_AB42_14 CB_AB42_26 1 0.000000e+00 6.327286e-06 ; 3.285462e-01 -6.327286e-06 1.950614e-03 9.135708e-04 0.000485 0.000060 True native_MD 7 127 236 CG_AB42_14 OG_AB42_26 1 6.626763e-04 1.073348e-06 ; 3.426940e-01 1.022828e-01 1.274731e-03 4.624187e-04 0.000485 0.002166 True native_MD 7 127 237 CG_AB42_14 N_AB42_27 1 4.939795e-04 7.907054e-07 ; 3.420196e-01 7.715127e-02 6.008870e-04 9.991345e-05 0.000485 0.002166 True native_MD 7 127 240 CG_AB42_14 CA_AB42_27 1 1.063614e-03 2.690106e-06 ; 3.691172e-01 1.051329e-01 1.388227e-03 8.441208e-04 0.000485 0.001339 True native_MD 7 127 242 - CG_AB42_14 CB_AB42_27 1 0.000000e+00 6.329657e-06 ; 3.285565e-01 -6.329657e-06 1.435491e-03 7.560497e-04 0.000485 0.000060 True native_MD 7 127 243 + CG_AB42_14 CB_AB42_27 1 0.000000e+00 6.329551e-06 ; 3.285560e-01 -6.329551e-06 1.435491e-03 7.560497e-04 0.000485 0.000060 True native_MD 7 127 243 CG_AB42_14 CG_AB42_27 1 1.174409e-03 3.753824e-06 ; 3.838036e-01 9.185548e-02 9.330364e-04 1.056610e-03 0.000485 0.002166 True native_MD 7 127 244 CG_AB42_14 ND2_AB42_27 1 5.138162e-04 6.218438e-07 ; 3.264467e-01 1.061388e-01 1.430654e-03 1.375344e-03 0.000485 0.002166 True native_MD 7 127 246 CG_AB42_14 CA_AB42_28 1 2.149543e-03 9.672645e-06 ; 4.063184e-01 1.194228e-01 2.129029e-03 4.573378e-04 0.000485 0.001339 True native_MD 7 127 251 - CG_AB42_14 CB_AB42_28 1 0.000000e+00 6.326845e-06 ; 3.285443e-01 -6.326845e-06 1.420334e-03 2.968662e-04 0.000485 0.000060 True native_MD 7 127 252 - CG_AB42_14 CG_AB42_28 1 0.000000e+00 6.330222e-06 ; 3.285589e-01 -6.330222e-06 1.096817e-03 5.065155e-04 0.000485 0.000060 True native_MD 7 127 253 - CG_AB42_14 CD_AB42_28 1 0.000000e+00 6.328024e-06 ; 3.285494e-01 -6.328024e-06 1.299042e-03 3.617511e-04 0.000485 0.000060 True native_MD 7 127 254 - CG_AB42_14 CE_AB42_28 1 0.000000e+00 6.334041e-06 ; 3.285754e-01 -6.334041e-06 8.601800e-04 8.727874e-04 0.000485 0.000060 True native_MD 7 127 255 + CG_AB42_14 CB_AB42_28 1 0.000000e+00 6.326739e-06 ; 3.285438e-01 -6.326739e-06 1.420334e-03 2.968662e-04 0.000485 0.000060 True native_MD 7 127 252 + CG_AB42_14 CG_AB42_28 1 0.000000e+00 6.330116e-06 ; 3.285584e-01 -6.330116e-06 1.096817e-03 5.065155e-04 0.000485 0.000060 True native_MD 7 127 253 + CG_AB42_14 CD_AB42_28 1 0.000000e+00 6.327918e-06 ; 3.285489e-01 -6.327918e-06 1.299042e-03 3.617511e-04 0.000485 0.000060 True native_MD 7 127 254 + CG_AB42_14 CE_AB42_28 1 0.000000e+00 6.333935e-06 ; 3.285750e-01 -6.333935e-06 8.601800e-04 8.727874e-04 0.000485 0.000060 True native_MD 7 127 255 CG_AB42_14 C_AB42_28 1 1.759598e-03 9.626198e-06 ; 4.197656e-01 8.041039e-02 6.624461e-04 2.502447e-04 0.000485 0.002166 True native_MD 7 127 257 CG_AB42_14 O_AB42_28 1 9.927354e-04 3.120771e-06 ; 3.827408e-01 7.894872e-02 6.340940e-04 2.963738e-04 0.000485 0.002166 True native_MD 7 127 258 CG_AB42_14 N_AB42_29 1 4.586584e-04 7.260470e-07 ; 3.413862e-01 7.243591e-02 5.218058e-04 6.567922e-05 0.000485 0.002166 True native_MD 7 127 259 CG_AB42_14 CA_AB42_29 1 8.795215e-04 1.661028e-06 ; 3.515780e-01 1.164276e-01 1.946501e-03 1.309068e-03 0.000485 0.001584 True native_MD 7 127 261 CG_AB42_14 C_AB42_29 1 1.053502e-03 3.123369e-06 ; 3.790222e-01 8.883578e-02 8.524177e-04 5.030121e-04 0.000485 0.002166 True native_MD 7 127 262 CG_AB42_14 CA_AB42_30 1 1.531859e-03 4.151932e-06 ; 3.733979e-01 1.412952e-01 4.096851e-03 1.007851e-03 0.000485 0.001339 True native_MD 7 127 266 - CG_AB42_14 CB_AB42_30 1 0.000000e+00 4.708880e-06 ; 3.205567e-01 -4.708880e-06 4.659580e-03 1.012649e-03 0.000485 0.000060 True native_MD 7 127 267 + CG_AB42_14 CB_AB42_30 1 0.000000e+00 4.708818e-06 ; 3.205563e-01 -4.708818e-06 4.659580e-03 1.012649e-03 0.000485 0.000060 True native_MD 7 127 267 CG_AB42_14 CA_AB42_31 1 3.553820e-03 2.388279e-05 ; 4.344085e-01 1.322044e-01 3.121044e-03 4.215903e-04 0.000485 0.001339 True native_MD 7 127 272 CG_AB42_14 CB_AB42_31 1 8.764783e-04 2.539263e-06 ; 3.775673e-01 7.563359e-02 5.548062e-03 5.769748e-04 0.000485 0.000060 True native_MD 7 127 273 - CG_AB42_14 CG1_AB42_31 1 0.000000e+00 6.306092e-06 ; 3.284544e-01 -6.306092e-06 5.019057e-03 6.191463e-04 0.000485 0.000060 True native_MD 7 127 274 - CG_AB42_14 CG2_AB42_31 1 0.000000e+00 4.704987e-06 ; 3.205346e-01 -4.704987e-06 5.201289e-03 7.307643e-04 0.000485 0.000060 True native_MD 7 127 275 - CG_AB42_14 CD_AB42_31 1 0.000000e+00 4.697486e-06 ; 3.204920e-01 -4.697486e-06 7.196436e-03 1.138745e-03 0.000485 0.000060 True native_MD 7 127 276 + CG_AB42_14 CG1_AB42_31 1 0.000000e+00 6.305986e-06 ; 3.284539e-01 -6.305986e-06 5.019057e-03 6.191463e-04 0.000485 0.000060 True native_MD 7 127 274 + CG_AB42_14 CG2_AB42_31 1 0.000000e+00 4.704926e-06 ; 3.205342e-01 -4.704926e-06 5.201289e-03 7.307643e-04 0.000485 0.000060 True native_MD 7 127 275 + CG_AB42_14 CD_AB42_31 1 0.000000e+00 4.697425e-06 ; 3.204916e-01 -4.697425e-06 7.196436e-03 1.138745e-03 0.000485 0.000060 True native_MD 7 127 276 CG_AB42_14 N_AB42_32 1 7.117522e-04 1.799756e-06 ; 3.691029e-01 7.036943e-02 4.905142e-04 3.038761e-06 0.000485 0.002166 True native_MD 7 127 279 CG_AB42_14 CA_AB42_32 1 2.242915e-03 1.023249e-05 ; 4.072503e-01 1.229092e-01 2.363163e-03 4.851598e-04 0.000485 0.001339 True native_MD 7 127 281 - CG_AB42_14 CB_AB42_32 1 0.000000e+00 1.300248e-05 ; 3.488702e-01 -1.300248e-05 4.435355e-03 6.513231e-04 0.000485 0.000060 True native_MD 7 127 282 - CG_AB42_14 CG1_AB42_32 1 0.000000e+00 6.315364e-06 ; 3.284946e-01 -6.315364e-06 3.453222e-03 5.172026e-04 0.000485 0.000060 True native_MD 7 127 283 - CG_AB42_14 CG2_AB42_32 1 0.000000e+00 4.708565e-06 ; 3.205549e-01 -4.708565e-06 4.459276e-03 7.457457e-04 0.000485 0.000060 True native_MD 7 127 284 - CG_AB42_14 CD_AB42_32 1 0.000000e+00 4.706120e-06 ; 3.205410e-01 -4.706120e-06 5.092279e-03 8.613233e-04 0.000485 0.000060 True native_MD 7 127 285 + CG_AB42_14 CB_AB42_32 1 0.000000e+00 1.300241e-05 ; 3.488700e-01 -1.300241e-05 4.435355e-03 6.513231e-04 0.000485 0.000060 True native_MD 7 127 282 + CG_AB42_14 CG1_AB42_32 1 0.000000e+00 6.315258e-06 ; 3.284941e-01 -6.315258e-06 3.453222e-03 5.172026e-04 0.000485 0.000060 True native_MD 7 127 283 + CG_AB42_14 CG2_AB42_32 1 0.000000e+00 4.708504e-06 ; 3.205545e-01 -4.708504e-06 4.459276e-03 7.457457e-04 0.000485 0.000060 True native_MD 7 127 284 + CG_AB42_14 CD_AB42_32 1 0.000000e+00 4.706058e-06 ; 3.205406e-01 -4.706058e-06 5.092279e-03 8.613233e-04 0.000485 0.000060 True native_MD 7 127 285 CG_AB42_14 C_AB42_32 1 1.393444e-03 5.239394e-06 ; 3.943349e-01 9.264843e-02 9.554417e-04 8.741143e-05 0.000485 0.002166 True native_MD 7 127 286 CG_AB42_14 O_AB42_32 1 5.906478e-04 1.037923e-06 ; 3.473810e-01 8.402957e-02 7.382234e-04 1.695597e-04 0.000485 0.002166 True native_MD 7 127 287 CG_AB42_14 N_AB42_33 1 4.474928e-04 5.384180e-07 ; 3.261286e-01 9.298065e-02 9.649882e-04 1.155334e-04 0.000485 0.002166 True native_MD 7 127 288 @@ -29810,7 +29810,7 @@ NE2_AB42_13 O2_AB42_42 1 9.942257e-05 2.686281e-08 ; 2.542598e-01 9.199380 CG_AB42_14 N_AB42_36 1 1.224462e-03 3.017773e-06 ; 3.675278e-01 1.242065e-01 2.456711e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 127 311 CG_AB42_14 CA_AB42_36 1 3.338514e-03 1.325162e-05 ; 3.979110e-01 2.102701e-01 3.227707e-02 1.839321e-04 0.000485 0.001339 True native_MD 7 127 313 CG_AB42_14 CB_AB42_36 1 2.320463e-03 9.823106e-06 ; 4.022034e-01 1.370379e-01 2.604747e-02 4.312510e-04 0.000485 0.000060 True native_MD 7 127 314 - CG_AB42_14 CG1_AB42_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 315 + CG_AB42_14 CG1_AB42_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 315 CG_AB42_14 CG2_AB42_36 1 1.437600e-03 3.356084e-06 ; 3.642217e-01 1.539514e-01 1.588686e-02 1.585564e-04 0.000485 0.000060 True native_MD 7 127 316 CG_AB42_14 C_AB42_36 1 1.996922e-03 6.210767e-06 ; 3.820592e-01 1.605154e-01 7.281968e-03 9.521664e-05 0.000485 0.002166 True native_MD 7 127 317 CG_AB42_14 O_AB42_36 1 6.878632e-04 7.954831e-07 ; 3.239824e-01 1.487008e-01 5.113259e-03 2.330875e-04 0.000485 0.002166 True native_MD 7 127 318 @@ -29837,20 +29837,20 @@ NE2_AB42_13 O2_AB42_42 1 9.942257e-05 2.686281e-08 ; 2.542598e-01 9.199380 CG_AB42_14 C_AB42_40 1 1.337771e-03 4.766996e-06 ; 3.908203e-01 9.385532e-02 9.905804e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 127 343 CG_AB42_14 O_AB42_40 1 3.446228e-04 2.768020e-07 ; 3.048860e-01 1.072652e-01 1.479700e-03 5.332778e-05 0.000485 0.002166 True native_MD 7 127 344 CG_AB42_14 CA_AB42_41 1 1.867176e-03 7.943492e-06 ; 4.025357e-01 1.097234e-01 1.592655e-03 3.335398e-04 0.000485 0.001339 True native_MD 7 127 347 - CG_AB42_14 CB_AB42_41 1 0.000000e+00 1.302210e-05 ; 3.489140e-01 -1.302210e-05 2.682517e-03 4.019032e-04 0.000485 0.000060 True native_MD 7 127 348 - CG_AB42_14 CG1_AB42_41 1 0.000000e+00 6.320873e-06 ; 3.285184e-01 -6.320873e-06 2.619908e-03 5.536577e-04 0.000485 0.000060 True native_MD 7 127 349 - CG_AB42_14 CG2_AB42_41 1 0.000000e+00 4.713090e-06 ; 3.205805e-01 -4.713090e-06 3.155069e-03 3.990598e-04 0.000485 0.000060 True native_MD 7 127 350 - CG_AB42_14 CD_AB42_41 1 0.000000e+00 4.711787e-06 ; 3.205731e-01 -4.711787e-06 3.724627e-03 6.928385e-04 0.000485 0.000060 True native_MD 7 127 351 + CG_AB42_14 CB_AB42_41 1 0.000000e+00 1.302203e-05 ; 3.489139e-01 -1.302203e-05 2.682517e-03 4.019032e-04 0.000485 0.000060 True native_MD 7 127 348 + CG_AB42_14 CG1_AB42_41 1 0.000000e+00 6.320767e-06 ; 3.285180e-01 -6.320767e-06 2.619908e-03 5.536577e-04 0.000485 0.000060 True native_MD 7 127 349 + CG_AB42_14 CG2_AB42_41 1 0.000000e+00 4.713029e-06 ; 3.205802e-01 -4.713029e-06 3.155069e-03 3.990598e-04 0.000485 0.000060 True native_MD 7 127 350 + CG_AB42_14 CD_AB42_41 1 0.000000e+00 4.711726e-06 ; 3.205728e-01 -4.711726e-06 3.724627e-03 6.928385e-04 0.000485 0.000060 True native_MD 7 127 351 CG_AB42_14 C_AB42_41 1 1.205730e-03 4.445985e-06 ; 3.930547e-01 8.174700e-02 6.894806e-04 1.633587e-04 0.000485 0.002166 True native_MD 7 127 352 CG_AB42_14 O_AB42_41 1 4.842146e-04 7.571287e-07 ; 3.406868e-01 7.741874e-02 6.057160e-04 1.462815e-04 0.000485 0.002166 True native_MD 7 127 353 CG_AB42_14 CA_AB42_42 1 1.118956e-03 2.700688e-06 ; 3.662494e-01 1.159023e-01 1.916138e-03 6.023428e-04 0.000485 0.001339 True native_MD 7 127 356 - CG_AB42_14 CB_AB42_42 1 0.000000e+00 4.717952e-06 ; 3.206081e-01 -4.717952e-06 2.286914e-03 5.595974e-04 0.000485 0.000060 True native_MD 7 127 357 -ND1_AB42_14 C_AB42_14 1 0.000000e+00 1.664565e-06 ; 2.939477e-01 -1.664565e-06 8.830173e-01 7.243564e-01 0.000485 0.000060 True native_MD 4 128 132 -ND1_AB42_14 O_AB42_14 1 0.000000e+00 6.206316e-07 ; 2.707475e-01 -6.206316e-07 2.221133e-01 2.078549e-01 0.000485 0.000060 True native_MD 5 128 133 -ND1_AB42_14 N_AB42_15 1 0.000000e+00 9.777318e-07 ; 2.811987e-01 -9.777318e-07 3.289910e-01 1.804824e-01 0.000485 0.000060 True native_MD 5 128 134 -ND1_AB42_14 CA_AB42_15 1 0.000000e+00 8.472461e-06 ; 3.366375e-01 -8.472461e-06 3.027396e-01 1.553325e-01 0.000485 0.000060 True native_MD 6 128 136 -ND1_AB42_14 CB_AB42_15 1 0.000000e+00 4.304022e-06 ; 3.181641e-01 -4.304022e-06 1.508371e-01 4.332792e-02 0.000485 0.000060 True native_MD 7 128 137 -ND1_AB42_14 CG_AB42_15 1 0.000000e+00 4.465395e-06 ; 3.191415e-01 -4.465395e-06 1.188093e-01 4.476276e-02 0.000485 0.000060 True native_MD 7 128 138 + CG_AB42_14 CB_AB42_42 1 0.000000e+00 4.717891e-06 ; 3.206077e-01 -4.717891e-06 2.286914e-03 5.595974e-04 0.000485 0.000060 True native_MD 7 127 357 +ND1_AB42_14 C_AB42_14 1 0.000000e+00 1.664535e-06 ; 2.939473e-01 -1.664535e-06 8.830173e-01 7.243564e-01 0.000485 0.000060 True native_MD 4 128 132 +ND1_AB42_14 O_AB42_14 1 0.000000e+00 6.206284e-07 ; 2.707474e-01 -6.206284e-07 2.221133e-01 2.078549e-01 0.000485 0.000060 True native_MD 5 128 133 +ND1_AB42_14 N_AB42_15 1 0.000000e+00 9.777175e-07 ; 2.811984e-01 -9.777175e-07 3.289910e-01 1.804824e-01 0.000485 0.000060 True native_MD 5 128 134 +ND1_AB42_14 CA_AB42_15 1 0.000000e+00 8.472412e-06 ; 3.366373e-01 -8.472412e-06 3.027396e-01 1.553325e-01 0.000485 0.000060 True native_MD 6 128 136 +ND1_AB42_14 CB_AB42_15 1 0.000000e+00 4.303947e-06 ; 3.181637e-01 -4.303947e-06 1.508371e-01 4.332792e-02 0.000485 0.000060 True native_MD 7 128 137 +ND1_AB42_14 CG_AB42_15 1 0.000000e+00 4.465317e-06 ; 3.191411e-01 -4.465317e-06 1.188093e-01 4.476276e-02 0.000485 0.000060 True native_MD 7 128 138 ND1_AB42_14 CD_AB42_15 1 1.465729e-03 3.333281e-06 ; 3.626350e-01 1.611297e-01 3.379464e-02 9.869213e-03 0.000485 0.002166 True native_MD 7 128 139 ND1_AB42_14 OE1_AB42_15 1 6.889519e-04 7.266829e-07 ; 3.190504e-01 1.632950e-01 1.256686e-02 3.439784e-03 0.000485 0.002166 True native_MD 7 128 140 ND1_AB42_14 NE2_AB42_15 1 2.753592e-04 1.250134e-07 ; 2.772316e-01 1.516292e-01 1.954601e-02 7.585444e-03 0.000485 0.002166 True native_MD 7 128 141 @@ -29858,31 +29858,31 @@ ND1_AB42_14 C_AB42_15 1 1.510845e-03 3.743068e-06 ; 3.678476e-01 1.524587 ND1_AB42_14 O_AB42_15 1 6.228799e-04 6.518141e-07 ; 3.186299e-01 1.488076e-01 6.525402e-02 2.755499e-02 0.000485 0.002166 True native_MD 7 128 143 ND1_AB42_14 N_AB42_16 1 2.056576e-04 8.590523e-08 ; 2.734088e-01 1.230863e-01 3.454364e-02 3.149533e-02 0.000485 0.002166 True native_MD 7 128 144 ND1_AB42_14 CA_AB42_16 1 7.250783e-04 1.222067e-06 ; 3.449729e-01 1.075511e-01 5.126120e-02 4.598619e-02 0.000485 0.001339 True native_MD 7 128 146 -ND1_AB42_14 CB_AB42_16 1 0.000000e+00 4.825985e-06 ; 3.212135e-01 -4.825985e-06 3.258554e-02 3.331182e-02 0.000485 0.000060 True native_MD 7 128 147 -ND1_AB42_14 CG_AB42_16 1 0.000000e+00 4.805117e-06 ; 3.210976e-01 -4.805117e-06 3.431036e-02 3.070943e-02 0.000485 0.000060 True native_MD 7 128 148 -ND1_AB42_14 CD_AB42_16 1 0.000000e+00 4.823800e-06 ; 3.212014e-01 -4.823800e-06 2.421831e-02 2.449151e-02 0.000485 0.000060 True native_MD 7 128 149 -ND1_AB42_14 CE_AB42_16 1 0.000000e+00 4.842757e-06 ; 3.213064e-01 -4.842757e-06 2.299704e-02 2.720106e-02 0.000485 0.000060 True native_MD 7 128 150 +ND1_AB42_14 CB_AB42_16 1 0.000000e+00 4.825902e-06 ; 3.212131e-01 -4.825902e-06 3.258554e-02 3.331182e-02 0.000485 0.000060 True native_MD 7 128 147 +ND1_AB42_14 CG_AB42_16 1 0.000000e+00 4.805034e-06 ; 3.210971e-01 -4.805034e-06 3.431036e-02 3.070943e-02 0.000485 0.000060 True native_MD 7 128 148 +ND1_AB42_14 CD_AB42_16 1 0.000000e+00 4.823717e-06 ; 3.212009e-01 -4.823717e-06 2.421831e-02 2.449151e-02 0.000485 0.000060 True native_MD 7 128 149 +ND1_AB42_14 CE_AB42_16 1 0.000000e+00 4.842673e-06 ; 3.213059e-01 -4.842673e-06 2.299704e-02 2.720106e-02 0.000485 0.000060 True native_MD 7 128 150 ND1_AB42_14 NZ_AB42_16 1 1.431968e-04 4.240458e-08 ; 2.581744e-01 1.208910e-01 1.509935e-02 1.470171e-02 0.000485 0.002166 True native_MD 7 128 151 ND1_AB42_14 C_AB42_16 1 7.096267e-04 1.034516e-06 ; 3.367321e-01 1.216922e-01 1.579772e-02 1.501705e-02 0.000485 0.002166 True native_MD 7 128 152 ND1_AB42_14 O_AB42_16 1 3.889886e-04 3.951461e-07 ; 3.170566e-01 9.573178e-02 7.815006e-03 1.615587e-02 0.000485 0.002166 True native_MD 7 128 153 ND1_AB42_14 N_AB42_17 1 2.157733e-04 9.500352e-08 ; 2.758187e-01 1.225168e-01 8.473132e-03 7.858217e-03 0.000485 0.002166 True native_MD 7 128 154 ND1_AB42_14 CA_AB42_17 1 7.630626e-04 1.968328e-06 ; 3.703306e-01 7.395420e-02 9.909323e-03 2.429577e-02 0.000485 0.001339 True native_MD 7 128 156 -ND1_AB42_14 CB_AB42_17 1 0.000000e+00 4.941740e-06 ; 3.218486e-01 -4.941740e-06 9.840332e-03 3.456969e-02 0.000485 0.000060 True native_MD 7 128 157 -ND1_AB42_14 CG_AB42_17 1 0.000000e+00 1.030135e-05 ; 3.421655e-01 -1.030135e-05 1.623186e-02 5.286770e-02 0.000485 0.000060 True native_MD 7 128 158 -ND1_AB42_14 CD1_AB42_17 1 0.000000e+00 3.735217e-06 ; 3.144281e-01 -3.735217e-06 1.149249e-02 4.953752e-02 0.000485 0.000060 True native_MD 7 128 159 -ND1_AB42_14 CD2_AB42_17 1 0.000000e+00 3.632164e-06 ; 3.136959e-01 -3.632164e-06 1.149975e-02 2.090554e-02 0.000485 0.000060 True native_MD 7 128 160 +ND1_AB42_14 CB_AB42_17 1 0.000000e+00 4.941654e-06 ; 3.218482e-01 -4.941654e-06 9.840332e-03 3.456969e-02 0.000485 0.000060 True native_MD 7 128 157 +ND1_AB42_14 CG_AB42_17 1 0.000000e+00 1.030129e-05 ; 3.421653e-01 -1.030129e-05 1.623186e-02 5.286770e-02 0.000485 0.000060 True native_MD 7 128 158 +ND1_AB42_14 CD1_AB42_17 1 0.000000e+00 3.735166e-06 ; 3.144277e-01 -3.735166e-06 1.149249e-02 4.953752e-02 0.000485 0.000060 True native_MD 7 128 159 +ND1_AB42_14 CD2_AB42_17 1 0.000000e+00 3.632114e-06 ; 3.136955e-01 -3.632114e-06 1.149975e-02 2.090554e-02 0.000485 0.000060 True native_MD 7 128 160 ND1_AB42_14 C_AB42_17 1 1.325619e-03 4.795665e-06 ; 3.918066e-01 9.160694e-02 3.051292e-03 7.136454e-03 0.000485 0.002166 True native_MD 7 128 161 ND1_AB42_14 O_AB42_17 1 1.820481e-04 1.071458e-07 ; 2.894886e-01 7.732805e-02 2.704892e-03 9.699248e-03 0.000485 0.002166 True native_MD 7 128 162 ND1_AB42_14 N_AB42_18 1 2.791911e-04 2.318458e-07 ; 3.065841e-01 8.405121e-02 7.514647e-04 2.203499e-03 0.000485 0.002166 True native_MD 7 128 163 -ND1_AB42_14 CA_AB42_18 1 0.000000e+00 1.001716e-05 ; 3.413687e-01 -1.001716e-05 2.940246e-03 1.097769e-02 0.000485 0.001339 True native_MD 7 128 165 -ND1_AB42_14 CB_AB42_18 1 0.000000e+00 9.999887e-06 ; 3.413196e-01 -9.999887e-06 6.564647e-03 1.286406e-02 0.000485 0.000060 True native_MD 7 128 166 -ND1_AB42_14 CG1_AB42_18 1 0.000000e+00 3.623403e-06 ; 3.136327e-01 -3.623403e-06 4.421699e-03 1.139269e-02 0.000485 0.000060 True native_MD 7 128 167 -ND1_AB42_14 CG2_AB42_18 1 0.000000e+00 3.623879e-06 ; 3.136362e-01 -3.623879e-06 6.131591e-03 1.323487e-02 0.000485 0.000060 True native_MD 7 128 168 +ND1_AB42_14 CA_AB42_18 1 0.000000e+00 1.001710e-05 ; 3.413685e-01 -1.001710e-05 2.940246e-03 1.097769e-02 0.000485 0.001339 True native_MD 7 128 165 +ND1_AB42_14 CB_AB42_18 1 0.000000e+00 9.999830e-06 ; 3.413195e-01 -9.999830e-06 6.564647e-03 1.286406e-02 0.000485 0.000060 True native_MD 7 128 166 +ND1_AB42_14 CG1_AB42_18 1 0.000000e+00 3.623353e-06 ; 3.136324e-01 -3.623353e-06 4.421699e-03 1.139269e-02 0.000485 0.000060 True native_MD 7 128 167 +ND1_AB42_14 CG2_AB42_18 1 0.000000e+00 3.623829e-06 ; 3.136358e-01 -3.623829e-06 6.131591e-03 1.323487e-02 0.000485 0.000060 True native_MD 7 128 168 ND1_AB42_14 C_AB42_18 1 6.959756e-04 1.305682e-06 ; 3.511887e-01 9.274505e-02 1.571682e-03 3.552808e-03 0.000485 0.002166 True native_MD 7 128 169 -ND1_AB42_14 O_AB42_18 1 0.000000e+00 6.319360e-07 ; 2.711551e-01 -6.319360e-07 7.265981e-04 4.422792e-03 0.000485 0.002166 True native_MD 7 128 170 +ND1_AB42_14 O_AB42_18 1 0.000000e+00 6.319327e-07 ; 2.711550e-01 -6.319327e-07 7.265981e-04 4.422792e-03 0.000485 0.002166 True native_MD 7 128 170 ND1_AB42_14 N_AB42_19 1 1.729036e-04 7.013537e-08 ; 2.720751e-01 1.065641e-01 1.667487e-03 2.492721e-03 0.000485 0.002166 True native_MD 7 128 171 ND1_AB42_14 CA_AB42_19 1 7.514370e-04 1.736237e-06 ; 3.635963e-01 8.130479e-02 6.059382e-03 1.192290e-02 0.000485 0.001339 True native_MD 7 128 173 -ND1_AB42_14 CB_AB42_19 1 0.000000e+00 4.834700e-06 ; 3.212618e-01 -4.834700e-06 9.395251e-03 1.192861e-02 0.000485 0.000060 True native_MD 7 128 174 +ND1_AB42_14 CB_AB42_19 1 0.000000e+00 4.834616e-06 ; 3.212614e-01 -4.834616e-06 9.395251e-03 1.192861e-02 0.000485 0.000060 True native_MD 7 128 174 ND1_AB42_14 CG_AB42_19 1 1.175671e-03 2.891166e-06 ; 3.673933e-01 1.195195e-01 5.446317e-03 8.441426e-03 0.000485 0.003309 True native_MD 7 128 175 ND1_AB42_14 CD1_AB42_19 1 6.293256e-04 8.796666e-07 ; 3.343801e-01 1.125570e-01 5.652832e-03 1.079115e-02 0.000485 0.003309 True native_MD 7 128 176 ND1_AB42_14 CD2_AB42_19 1 6.293256e-04 8.796666e-07 ; 3.343801e-01 1.125570e-01 5.652832e-03 1.079115e-02 0.000485 0.003309 True native_MD 7 128 177 @@ -29893,7 +29893,7 @@ ND1_AB42_14 C_AB42_19 1 8.792814e-04 1.823332e-06 ; 3.570998e-01 1.060059 ND1_AB42_14 O_AB42_19 1 5.394466e-04 7.773400e-07 ; 3.360809e-01 9.358922e-02 1.815338e-03 4.001333e-03 0.000485 0.002166 True native_MD 7 128 182 ND1_AB42_14 N_AB42_20 1 1.859643e-04 9.393219e-08 ; 2.822046e-01 9.204170e-02 9.382505e-04 1.376632e-03 0.000485 0.002166 True native_MD 7 128 183 ND1_AB42_14 CA_AB42_20 1 8.976941e-04 2.858532e-06 ; 3.835622e-01 7.047802e-02 2.432430e-03 6.617682e-03 0.000485 0.001339 True native_MD 7 128 185 -ND1_AB42_14 CB_AB42_20 1 0.000000e+00 4.833010e-06 ; 3.212525e-01 -4.833010e-06 4.601740e-03 6.784621e-03 0.000485 0.000060 True native_MD 7 128 186 +ND1_AB42_14 CB_AB42_20 1 0.000000e+00 4.832926e-06 ; 3.212520e-01 -4.832926e-06 4.601740e-03 6.784621e-03 0.000485 0.000060 True native_MD 7 128 186 ND1_AB42_14 CG_AB42_20 1 9.924577e-04 2.131612e-06 ; 3.591970e-01 1.155196e-01 2.737049e-03 4.781678e-03 0.000485 0.003309 True native_MD 7 128 187 ND1_AB42_14 CD1_AB42_20 1 5.679753e-04 6.462783e-07 ; 3.231085e-01 1.247899e-01 4.831969e-03 6.396459e-03 0.000485 0.003309 True native_MD 7 128 188 ND1_AB42_14 CD2_AB42_20 1 5.679753e-04 6.462783e-07 ; 3.231085e-01 1.247899e-01 4.831969e-03 6.396459e-03 0.000485 0.003309 True native_MD 7 128 189 @@ -29901,29 +29901,29 @@ ND1_AB42_14 CE1_AB42_20 1 5.333054e-04 6.525118e-07 ; 3.270409e-01 1.089691 ND1_AB42_14 CE2_AB42_20 1 5.333054e-04 6.525118e-07 ; 3.270409e-01 1.089691e-01 4.715471e-03 1.002207e-02 0.000485 0.003309 True native_MD 7 128 191 ND1_AB42_14 CZ_AB42_20 1 9.515851e-04 2.016273e-06 ; 3.583854e-01 1.122757e-01 5.698642e-03 1.097057e-02 0.000485 0.003309 True native_MD 7 128 192 ND1_AB42_14 O_AB42_20 1 2.928297e-04 2.828439e-07 ; 3.144044e-01 7.579202e-02 5.769353e-04 1.878843e-03 0.000485 0.002166 True native_MD 7 128 194 -ND1_AB42_14 CA_AB42_21 1 0.000000e+00 9.970125e-06 ; 3.412349e-01 -9.970125e-06 1.184920e-03 4.489311e-03 0.000485 0.001339 True native_MD 7 128 197 -ND1_AB42_14 CB_AB42_21 1 0.000000e+00 3.609022e-06 ; 3.135288e-01 -3.609022e-06 1.260384e-03 4.234921e-03 0.000485 0.000060 True native_MD 7 128 198 -ND1_AB42_14 CB_AB42_22 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 204 -ND1_AB42_14 CG_AB42_22 1 0.000000e+00 4.830304e-06 ; 3.212375e-01 -4.830304e-06 5.442190e-04 2.166073e-03 0.000485 0.000060 True native_MD 7 128 205 -ND1_AB42_14 CB_AB42_23 1 0.000000e+00 4.822565e-06 ; 3.211946e-01 -4.822565e-06 1.262632e-03 1.279768e-03 0.000485 0.000060 True native_MD 7 128 214 +ND1_AB42_14 CA_AB42_21 1 0.000000e+00 9.970067e-06 ; 3.412347e-01 -9.970067e-06 1.184920e-03 4.489311e-03 0.000485 0.001339 True native_MD 7 128 197 +ND1_AB42_14 CB_AB42_21 1 0.000000e+00 3.608973e-06 ; 3.135285e-01 -3.608973e-06 1.260384e-03 4.234921e-03 0.000485 0.000060 True native_MD 7 128 198 +ND1_AB42_14 CB_AB42_22 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 204 +ND1_AB42_14 CG_AB42_22 1 0.000000e+00 4.830220e-06 ; 3.212370e-01 -4.830220e-06 5.442190e-04 2.166073e-03 0.000485 0.000060 True native_MD 7 128 205 +ND1_AB42_14 CB_AB42_23 1 0.000000e+00 4.822482e-06 ; 3.211941e-01 -4.822482e-06 1.262632e-03 1.279768e-03 0.000485 0.000060 True native_MD 7 128 214 ND1_AB42_14 CG_AB42_23 1 1.386832e-03 6.063702e-06 ; 4.043763e-01 7.929578e-02 6.407142e-04 1.599223e-03 0.000485 0.002166 True native_MD 7 128 215 ND1_AB42_14 CA_AB42_24 1 6.106054e-04 1.241431e-06 ; 3.559265e-01 7.508248e-02 6.347940e-04 1.504720e-03 0.000485 0.001339 True native_MD 7 128 222 -ND1_AB42_14 CB_AB42_24 1 0.000000e+00 9.939249e-06 ; 3.411467e-01 -9.939249e-06 1.693063e-03 1.890398e-03 0.000485 0.000060 True native_MD 7 128 223 -ND1_AB42_14 CG1_AB42_24 1 0.000000e+00 3.601407e-06 ; 3.134736e-01 -3.601407e-06 9.190854e-04 1.777178e-03 0.000485 0.000060 True native_MD 7 128 224 -ND1_AB42_14 CG2_AB42_24 1 0.000000e+00 3.595741e-06 ; 3.134325e-01 -3.595741e-06 2.144214e-03 1.427673e-03 0.000485 0.000060 True native_MD 7 128 225 +ND1_AB42_14 CB_AB42_24 1 0.000000e+00 9.939192e-06 ; 3.411465e-01 -9.939192e-06 1.693063e-03 1.890398e-03 0.000485 0.000060 True native_MD 7 128 223 +ND1_AB42_14 CG1_AB42_24 1 0.000000e+00 3.601357e-06 ; 3.134733e-01 -3.601357e-06 9.190854e-04 1.777178e-03 0.000485 0.000060 True native_MD 7 128 224 +ND1_AB42_14 CG2_AB42_24 1 0.000000e+00 3.595692e-06 ; 3.134321e-01 -3.595692e-06 2.144214e-03 1.427673e-03 0.000485 0.000060 True native_MD 7 128 225 ND1_AB42_14 N_AB42_25 1 1.092392e-04 4.124901e-08 ; 2.688474e-01 7.232418e-02 5.200640e-04 3.682479e-04 0.000485 0.002166 True native_MD 7 128 228 ND1_AB42_14 CA_AB42_25 1 6.072375e-04 8.987407e-07 ; 3.375820e-01 1.025706e-01 1.518843e-03 1.871035e-03 0.000485 0.001584 True native_MD 7 128 230 ND1_AB42_14 C_AB42_25 1 5.017789e-04 6.079920e-07 ; 3.265108e-01 1.035302e-01 1.323216e-03 7.976682e-04 0.000485 0.002166 True native_MD 7 128 231 ND1_AB42_14 O_AB42_25 1 4.242133e-04 4.635059e-07 ; 3.209311e-01 9.706292e-02 1.090380e-03 6.802178e-04 0.000485 0.002166 True native_MD 7 128 232 ND1_AB42_14 N_AB42_26 1 4.550797e-04 5.877449e-07 ; 3.300022e-01 8.808990e-02 8.336016e-04 2.006155e-04 0.000485 0.002166 True native_MD 7 128 233 ND1_AB42_14 CA_AB42_26 1 1.311356e-03 3.592512e-06 ; 3.740643e-01 1.196693e-01 2.458279e-03 1.534524e-03 0.000485 0.001339 True native_MD 7 128 235 -ND1_AB42_14 CB_AB42_26 1 0.000000e+00 4.818063e-06 ; 3.211696e-01 -4.818063e-06 2.146871e-03 1.230433e-03 0.000485 0.000060 True native_MD 7 128 236 +ND1_AB42_14 CB_AB42_26 1 0.000000e+00 4.817980e-06 ; 3.211691e-01 -4.817980e-06 2.146871e-03 1.230433e-03 0.000485 0.000060 True native_MD 7 128 236 ND1_AB42_14 OG_AB42_26 1 6.974935e-04 1.058605e-06 ; 3.389994e-01 1.148911e-01 1.859022e-03 9.490785e-04 0.000485 0.002166 True native_MD 7 128 237 ND1_AB42_14 C_AB42_26 1 6.552519e-04 1.197394e-06 ; 3.496537e-01 8.964367e-02 8.732776e-04 1.997821e-04 0.000485 0.002166 True native_MD 7 128 238 ND1_AB42_14 O_AB42_26 1 3.361215e-04 4.017534e-07 ; 3.257696e-01 7.030288e-02 4.895382e-04 3.084100e-04 0.000485 0.002166 True native_MD 7 128 239 ND1_AB42_14 N_AB42_27 1 1.586393e-04 6.853569e-08 ; 2.749483e-01 9.180046e-02 9.315012e-04 1.879876e-04 0.000485 0.002166 True native_MD 7 128 240 ND1_AB42_14 CA_AB42_27 1 6.931870e-04 1.064455e-06 ; 3.396614e-01 1.128531e-01 1.749031e-03 1.128977e-03 0.000485 0.001339 True native_MD 7 128 242 -ND1_AB42_14 CB_AB42_27 1 0.000000e+00 4.818466e-06 ; 3.211718e-01 -4.818466e-06 1.924225e-03 1.091209e-03 0.000485 0.000060 True native_MD 7 128 243 +ND1_AB42_14 CB_AB42_27 1 0.000000e+00 4.818382e-06 ; 3.211713e-01 -4.818382e-06 1.924225e-03 1.091209e-03 0.000485 0.000060 True native_MD 7 128 243 ND1_AB42_14 CG_AB42_27 1 7.561334e-04 1.304860e-06 ; 3.463333e-01 1.095400e-01 1.583940e-03 1.169248e-03 0.000485 0.002166 True native_MD 7 128 244 ND1_AB42_14 OD1_AB42_27 1 3.385193e-04 3.509410e-07 ; 3.181328e-01 8.163431e-02 6.871592e-04 9.587120e-04 0.000485 0.002166 True native_MD 7 128 245 ND1_AB42_14 ND2_AB42_27 1 1.808042e-04 7.311560e-08 ; 2.719361e-01 1.117756e-01 1.693531e-03 1.110647e-03 0.000485 0.002166 True native_MD 7 128 246 @@ -29931,10 +29931,10 @@ ND1_AB42_14 C_AB42_27 1 5.471421e-04 7.457003e-07 ; 3.329743e-01 1.003635 ND1_AB42_14 O_AB42_27 1 5.396907e-04 7.792517e-07 ; 3.361931e-01 9.344415e-02 9.784666e-04 4.150729e-04 0.000485 0.002166 True native_MD 7 128 248 ND1_AB42_14 N_AB42_28 1 2.726928e-04 1.921724e-07 ; 2.983112e-01 9.673784e-02 1.079824e-03 1.192185e-04 0.000485 0.002166 True native_MD 7 128 249 ND1_AB42_14 CA_AB42_28 1 8.415069e-04 1.394512e-06 ; 3.440018e-01 1.269501e-01 2.666932e-03 8.788584e-04 0.000485 0.001339 True native_MD 7 128 251 -ND1_AB42_14 CB_AB42_28 1 0.000000e+00 4.812467e-06 ; 3.211385e-01 -4.812467e-06 2.553212e-03 4.763524e-04 0.000485 0.000060 True native_MD 7 128 252 -ND1_AB42_14 CG_AB42_28 1 0.000000e+00 4.816744e-06 ; 3.211622e-01 -4.816744e-06 1.831773e-03 6.417419e-04 0.000485 0.000060 True native_MD 7 128 253 -ND1_AB42_14 CD_AB42_28 1 0.000000e+00 4.818645e-06 ; 3.211728e-01 -4.818645e-06 1.585522e-03 7.896907e-04 0.000485 0.000060 True native_MD 7 128 254 -ND1_AB42_14 CE_AB42_28 1 0.000000e+00 4.820932e-06 ; 3.211855e-01 -4.820932e-06 1.297998e-03 9.764237e-04 0.000485 0.000060 True native_MD 7 128 255 +ND1_AB42_14 CB_AB42_28 1 0.000000e+00 4.812384e-06 ; 3.211380e-01 -4.812384e-06 2.553212e-03 4.763524e-04 0.000485 0.000060 True native_MD 7 128 252 +ND1_AB42_14 CG_AB42_28 1 0.000000e+00 4.816660e-06 ; 3.211618e-01 -4.816660e-06 1.831773e-03 6.417419e-04 0.000485 0.000060 True native_MD 7 128 253 +ND1_AB42_14 CD_AB42_28 1 0.000000e+00 4.818561e-06 ; 3.211723e-01 -4.818561e-06 1.585522e-03 7.896907e-04 0.000485 0.000060 True native_MD 7 128 254 +ND1_AB42_14 CE_AB42_28 1 0.000000e+00 4.820848e-06 ; 3.211850e-01 -4.820848e-06 1.297998e-03 9.764237e-04 0.000485 0.000060 True native_MD 7 128 255 ND1_AB42_14 NZ_AB42_28 1 9.634959e-05 3.104240e-08 ; 2.618289e-01 7.476261e-02 5.594331e-04 8.456237e-04 0.000485 0.002166 True native_MD 7 128 256 ND1_AB42_14 C_AB42_28 1 1.000987e-03 2.172554e-06 ; 3.598242e-01 1.152992e-01 1.881867e-03 4.198076e-04 0.000485 0.002166 True native_MD 7 128 257 ND1_AB42_14 O_AB42_28 1 4.324279e-04 3.970977e-07 ; 3.117673e-01 1.177254e-01 2.023583e-03 5.894730e-04 0.000485 0.002166 True native_MD 7 128 258 @@ -29944,22 +29944,22 @@ ND1_AB42_14 C_AB42_29 1 7.007005e-04 1.301038e-06 ; 3.505847e-01 9.434412 ND1_AB42_14 O_AB42_29 1 4.748890e-04 7.912446e-07 ; 3.443128e-01 7.125468e-02 5.036825e-04 1.053325e-03 0.000485 0.002166 True native_MD 7 128 263 ND1_AB42_14 N_AB42_30 1 1.622993e-04 7.571155e-08 ; 2.784887e-01 8.697835e-02 8.063287e-04 1.548514e-04 0.000485 0.002166 True native_MD 7 128 264 ND1_AB42_14 CA_AB42_30 1 1.576447e-03 4.394582e-06 ; 3.751512e-01 1.413778e-01 4.106992e-03 1.290083e-03 0.000485 0.001339 True native_MD 7 128 266 -ND1_AB42_14 CB_AB42_30 1 0.000000e+00 3.586168e-06 ; 3.133629e-01 -3.586168e-06 4.344407e-03 9.675772e-04 0.000485 0.000060 True native_MD 7 128 267 +ND1_AB42_14 CB_AB42_30 1 0.000000e+00 3.586119e-06 ; 3.133625e-01 -3.586119e-06 4.344407e-03 9.675772e-04 0.000485 0.000060 True native_MD 7 128 267 ND1_AB42_14 C_AB42_30 1 6.180233e-04 1.250355e-06 ; 3.556352e-01 7.636890e-02 5.869818e-04 4.714675e-04 0.000485 0.002166 True native_MD 7 128 268 ND1_AB42_14 O_AB42_30 1 5.421697e-04 9.552290e-07 ; 3.475325e-01 7.693128e-02 5.969442e-04 5.890502e-04 0.000485 0.002166 True native_MD 7 128 269 ND1_AB42_14 CA_AB42_31 1 9.554051e-04 1.715523e-06 ; 3.486327e-01 1.330205e-01 3.198210e-03 4.616106e-04 0.000485 0.001339 True native_MD 7 128 272 ND1_AB42_14 CB_AB42_31 1 7.191842e-04 1.792553e-06 ; 3.682182e-01 7.213539e-02 4.693937e-03 5.420230e-04 0.000485 0.000060 True native_MD 7 128 273 ND1_AB42_14 CG1_AB42_31 1 6.767013e-04 1.570557e-06 ; 3.638671e-01 7.289208e-02 3.860417e-03 4.357930e-04 0.000485 0.000060 True native_MD 7 128 274 -ND1_AB42_14 CG2_AB42_31 1 0.000000e+00 3.583874e-06 ; 3.133462e-01 -3.583874e-06 4.604201e-03 5.898202e-04 0.000485 0.000060 True native_MD 7 128 275 -ND1_AB42_14 CD_AB42_31 1 0.000000e+00 3.583878e-06 ; 3.133462e-01 -3.583878e-06 4.844858e-03 8.317398e-04 0.000485 0.000060 True native_MD 7 128 276 +ND1_AB42_14 CG2_AB42_31 1 0.000000e+00 3.583825e-06 ; 3.133458e-01 -3.583825e-06 4.604201e-03 5.898202e-04 0.000485 0.000060 True native_MD 7 128 275 +ND1_AB42_14 CD_AB42_31 1 0.000000e+00 3.583830e-06 ; 3.133458e-01 -3.583830e-06 4.844858e-03 8.317398e-04 0.000485 0.000060 True native_MD 7 128 276 ND1_AB42_14 C_AB42_31 1 6.338157e-04 1.121136e-06 ; 3.477623e-01 8.957935e-02 8.715984e-04 2.343639e-04 0.000485 0.002166 True native_MD 7 128 277 ND1_AB42_14 O_AB42_31 1 4.412307e-04 5.701448e-07 ; 3.300299e-01 8.536626e-02 7.683521e-04 3.646074e-04 0.000485 0.002166 True native_MD 7 128 278 ND1_AB42_14 N_AB42_32 1 1.375859e-04 5.057986e-08 ; 2.676500e-01 9.356429e-02 9.819906e-04 1.121776e-04 0.000485 0.002166 True native_MD 7 128 279 ND1_AB42_14 CA_AB42_32 1 1.084486e-03 2.316096e-06 ; 3.588576e-01 1.269496e-01 2.666889e-03 6.151673e-04 0.000485 0.001339 True native_MD 7 128 281 -ND1_AB42_14 CB_AB42_32 1 0.000000e+00 9.895184e-06 ; 3.410204e-01 -9.895184e-06 4.946564e-03 7.096399e-04 0.000485 0.000060 True native_MD 7 128 282 -ND1_AB42_14 CG1_AB42_32 1 0.000000e+00 4.804790e-06 ; 3.210957e-01 -4.804790e-06 4.340283e-03 6.715594e-04 0.000485 0.000060 True native_MD 7 128 283 -ND1_AB42_14 CG2_AB42_32 1 0.000000e+00 3.583908e-06 ; 3.133464e-01 -3.583908e-06 4.661538e-03 6.565987e-04 0.000485 0.000060 True native_MD 7 128 284 -ND1_AB42_14 CD_AB42_32 1 0.000000e+00 3.582428e-06 ; 3.133356e-01 -3.582428e-06 5.407571e-03 9.914175e-04 0.000485 0.000060 True native_MD 7 128 285 +ND1_AB42_14 CB_AB42_32 1 0.000000e+00 9.895128e-06 ; 3.410202e-01 -9.895128e-06 4.946564e-03 7.096399e-04 0.000485 0.000060 True native_MD 7 128 282 +ND1_AB42_14 CG1_AB42_32 1 0.000000e+00 4.804707e-06 ; 3.210953e-01 -4.804707e-06 4.340283e-03 6.715594e-04 0.000485 0.000060 True native_MD 7 128 283 +ND1_AB42_14 CG2_AB42_32 1 0.000000e+00 3.583859e-06 ; 3.133461e-01 -3.583859e-06 4.661538e-03 6.565987e-04 0.000485 0.000060 True native_MD 7 128 284 +ND1_AB42_14 CD_AB42_32 1 0.000000e+00 3.582379e-06 ; 3.133353e-01 -3.582379e-06 5.407571e-03 9.914175e-04 0.000485 0.000060 True native_MD 7 128 285 ND1_AB42_14 C_AB42_32 1 1.059152e-03 2.669602e-06 ; 3.689051e-01 1.050534e-01 1.384930e-03 3.310412e-04 0.000485 0.002166 True native_MD 7 128 286 ND1_AB42_14 O_AB42_32 1 7.003779e-04 1.158134e-06 ; 3.438780e-01 1.058878e-01 1.419948e-03 2.187420e-04 0.000485 0.002166 True native_MD 7 128 287 ND1_AB42_14 N_AB42_33 1 2.109723e-04 1.032903e-07 ; 2.807409e-01 1.077287e-01 1.500367e-03 3.210143e-04 0.000485 0.002166 True native_MD 7 128 288 @@ -29970,8 +29970,8 @@ ND1_AB42_14 N_AB42_34 1 1.767300e-04 7.022405e-08 ; 2.711415e-01 1.111923 ND1_AB42_14 CA_AB42_34 1 1.610658e-03 4.385481e-06 ; 3.736821e-01 1.478868e-01 4.990212e-03 8.336236e-04 0.000485 0.001339 True native_MD 7 128 295 ND1_AB42_14 CB_AB42_34 1 8.478346e-04 1.850508e-06 ; 3.601610e-01 9.711166e-02 6.823570e-03 3.731503e-04 0.000485 0.000060 True native_MD 7 128 296 ND1_AB42_14 CG_AB42_34 1 1.326457e-03 5.849500e-06 ; 4.049527e-01 7.519823e-02 1.005445e-02 1.059332e-03 0.000485 0.000060 True native_MD 7 128 297 -ND1_AB42_14 CD1_AB42_34 1 0.000000e+00 3.576673e-06 ; 3.132937e-01 -3.576673e-06 7.073121e-03 1.057645e-03 0.000485 0.000060 True native_MD 7 128 298 -ND1_AB42_14 CD2_AB42_34 1 0.000000e+00 3.573479e-06 ; 3.132703e-01 -3.573479e-06 8.007764e-03 1.104475e-03 0.000485 0.000060 True native_MD 7 128 299 +ND1_AB42_14 CD1_AB42_34 1 0.000000e+00 3.576625e-06 ; 3.132933e-01 -3.576625e-06 7.073121e-03 1.057645e-03 0.000485 0.000060 True native_MD 7 128 298 +ND1_AB42_14 CD2_AB42_34 1 0.000000e+00 3.573430e-06 ; 3.132700e-01 -3.573430e-06 8.007764e-03 1.104475e-03 0.000485 0.000060 True native_MD 7 128 299 ND1_AB42_14 C_AB42_34 1 1.366674e-03 3.785120e-06 ; 3.747450e-01 1.233644e-01 2.395576e-03 2.000346e-04 0.000485 0.002166 True native_MD 7 128 300 ND1_AB42_14 O_AB42_34 1 3.908209e-04 2.887390e-07 ; 3.006685e-01 1.322483e-01 3.125146e-03 3.747986e-04 0.000485 0.002166 True native_MD 7 128 301 ND1_AB42_14 N_AB42_35 1 2.332457e-04 1.421213e-07 ; 2.911662e-01 9.569911e-02 1.046774e-03 8.697284e-05 0.000485 0.002166 True native_MD 7 128 302 @@ -30000,29 +30000,29 @@ ND1_AB42_14 O_AB42_38 1 7.326939e-04 1.002105e-06 ; 3.331694e-01 1.339282 ND1_AB42_14 N_AB42_39 1 2.691905e-04 1.507622e-07 ; 2.871037e-01 1.201620e-01 2.176650e-03 5.001308e-05 0.000485 0.002166 True native_MD 7 128 329 ND1_AB42_14 CA_AB42_39 1 1.098436e-03 2.100363e-06 ; 3.523059e-01 1.436135e-01 4.391175e-03 4.055735e-04 0.000485 0.001339 True native_MD 7 128 331 ND1_AB42_14 CB_AB42_39 1 1.214184e-03 4.407112e-06 ; 3.920231e-01 8.362860e-02 6.085646e-03 4.982115e-04 0.000485 0.000060 True native_MD 7 128 332 -ND1_AB42_14 CG1_AB42_39 1 0.000000e+00 3.585210e-06 ; 3.133559e-01 -3.585210e-06 4.307118e-03 6.641535e-04 0.000485 0.000060 True native_MD 7 128 333 -ND1_AB42_14 CG2_AB42_39 1 0.000000e+00 3.581286e-06 ; 3.133273e-01 -3.581286e-06 5.413034e-03 6.795002e-04 0.000485 0.000060 True native_MD 7 128 334 +ND1_AB42_14 CG1_AB42_39 1 0.000000e+00 3.585161e-06 ; 3.133556e-01 -3.585161e-06 4.307118e-03 6.641535e-04 0.000485 0.000060 True native_MD 7 128 333 +ND1_AB42_14 CG2_AB42_39 1 0.000000e+00 3.581237e-06 ; 3.133270e-01 -3.581237e-06 5.413034e-03 6.795002e-04 0.000485 0.000060 True native_MD 7 128 334 ND1_AB42_14 C_AB42_39 1 7.993524e-04 1.553902e-06 ; 3.532761e-01 1.027999e-01 1.294613e-03 1.232889e-05 0.000485 0.002166 True native_MD 7 128 335 ND1_AB42_14 O_AB42_39 1 3.527450e-04 3.942312e-07 ; 3.221427e-01 7.890614e-02 6.332865e-04 1.342998e-04 0.000485 0.002166 True native_MD 7 128 336 ND1_AB42_14 N_AB42_40 1 1.487429e-04 5.926429e-08 ; 2.712644e-01 9.332959e-02 9.751177e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 128 337 ND1_AB42_14 CA_AB42_40 1 1.191345e-03 2.721775e-06 ; 3.629129e-01 1.303655e-01 2.953934e-03 1.591436e-04 0.000485 0.001339 True native_MD 7 128 339 ND1_AB42_14 CB_AB42_40 1 7.004974e-04 1.551390e-06 ; 3.610376e-01 7.907368e-02 5.967555e-03 5.598893e-04 0.000485 0.000060 True native_MD 7 128 340 -ND1_AB42_14 CG1_AB42_40 1 0.000000e+00 3.586924e-06 ; 3.133684e-01 -3.586924e-06 3.760739e-03 5.941179e-04 0.000485 0.000060 True native_MD 7 128 341 +ND1_AB42_14 CG1_AB42_40 1 0.000000e+00 3.586875e-06 ; 3.133680e-01 -3.586875e-06 3.760739e-03 5.941179e-04 0.000485 0.000060 True native_MD 7 128 341 ND1_AB42_14 CG2_AB42_40 1 5.808469e-04 8.754964e-07 ; 3.386092e-01 9.634052e-02 6.857084e-03 3.837372e-04 0.000485 0.000060 True native_MD 7 128 342 ND1_AB42_14 C_AB42_40 1 7.956772e-04 1.838213e-06 ; 3.635882e-01 8.610294e-02 7.854792e-04 4.994277e-05 0.000485 0.002166 True native_MD 7 128 343 ND1_AB42_14 O_AB42_40 1 4.146804e-04 4.433156e-07 ; 3.197667e-01 9.697371e-02 1.087473e-03 2.104211e-04 0.000485 0.002166 True native_MD 7 128 344 ND1_AB42_14 CA_AB42_41 1 1.561497e-03 5.577701e-06 ; 3.909780e-01 1.092866e-01 1.571974e-03 3.891317e-04 0.000485 0.001339 True native_MD 7 128 347 -ND1_AB42_14 CB_AB42_41 1 0.000000e+00 9.912190e-06 ; 3.410692e-01 -9.912190e-06 2.948904e-03 4.233138e-04 0.000485 0.000060 True native_MD 7 128 348 -ND1_AB42_14 CG1_AB42_41 1 0.000000e+00 4.811386e-06 ; 3.211324e-01 -4.811386e-06 2.821421e-03 5.203647e-04 0.000485 0.000060 True native_MD 7 128 349 -ND1_AB42_14 CG2_AB42_41 1 0.000000e+00 3.590070e-06 ; 3.133913e-01 -3.590070e-06 2.708475e-03 4.159525e-04 0.000485 0.000060 True native_MD 7 128 350 -ND1_AB42_14 CD_AB42_41 1 0.000000e+00 3.589761e-06 ; 3.133890e-01 -3.589761e-06 3.206034e-03 8.276652e-04 0.000485 0.000060 True native_MD 7 128 351 +ND1_AB42_14 CB_AB42_41 1 0.000000e+00 9.912133e-06 ; 3.410690e-01 -9.912133e-06 2.948904e-03 4.233138e-04 0.000485 0.000060 True native_MD 7 128 348 +ND1_AB42_14 CG1_AB42_41 1 0.000000e+00 4.811303e-06 ; 3.211320e-01 -4.811303e-06 2.821421e-03 5.203647e-04 0.000485 0.000060 True native_MD 7 128 349 +ND1_AB42_14 CG2_AB42_41 1 0.000000e+00 3.590021e-06 ; 3.133909e-01 -3.590021e-06 2.708475e-03 4.159525e-04 0.000485 0.000060 True native_MD 7 128 350 +ND1_AB42_14 CD_AB42_41 1 0.000000e+00 3.589712e-06 ; 3.133887e-01 -3.589712e-06 3.206034e-03 8.276652e-04 0.000485 0.000060 True native_MD 7 128 351 ND1_AB42_14 N_AB42_42 1 1.768308e-04 1.092467e-07 ; 2.918379e-01 7.155625e-02 5.082486e-04 9.992245e-05 0.000485 0.002166 True native_MD 7 128 354 ND1_AB42_14 CA_AB42_42 1 1.372866e-03 4.109217e-06 ; 3.796253e-01 1.146667e-01 1.846580e-03 7.957360e-04 0.000485 0.001339 True native_MD 7 128 356 -ND1_AB42_14 CB_AB42_42 1 0.000000e+00 3.593639e-06 ; 3.134172e-01 -3.593639e-06 1.962349e-03 6.618858e-04 0.000485 0.000060 True native_MD 7 128 357 -CD2_AB42_14 C_AB42_14 1 0.000000e+00 2.436278e-06 ; 3.034279e-01 -2.436278e-06 8.910002e-01 8.285460e-01 0.000485 0.000060 True native_MD 4 129 132 -CD2_AB42_14 O_AB42_14 1 0.000000e+00 7.250104e-07 ; 2.742776e-01 -7.250104e-07 3.446454e-01 2.213812e-01 0.000485 0.000060 True native_MD 5 129 133 -CD2_AB42_14 N_AB42_15 1 0.000000e+00 1.216150e-06 ; 2.863588e-01 -1.216150e-06 3.895170e-01 1.959031e-01 0.000485 0.000060 True native_MD 5 129 134 -CD2_AB42_14 CA_AB42_15 1 0.000000e+00 1.009612e-05 ; 3.415922e-01 -1.009612e-05 3.921433e-01 1.656821e-01 0.000485 0.000060 True native_MD 6 129 136 +ND1_AB42_14 CB_AB42_42 1 0.000000e+00 3.593590e-06 ; 3.134169e-01 -3.593590e-06 1.962349e-03 6.618858e-04 0.000485 0.000060 True native_MD 7 128 357 +CD2_AB42_14 C_AB42_14 1 0.000000e+00 2.436235e-06 ; 3.034275e-01 -2.436235e-06 8.910002e-01 8.285460e-01 0.000485 0.000060 True native_MD 4 129 132 +CD2_AB42_14 O_AB42_14 1 0.000000e+00 7.250071e-07 ; 2.742775e-01 -7.250071e-07 3.446454e-01 2.213812e-01 0.000485 0.000060 True native_MD 5 129 133 +CD2_AB42_14 N_AB42_15 1 0.000000e+00 1.216133e-06 ; 2.863585e-01 -1.216133e-06 3.895170e-01 1.959031e-01 0.000485 0.000060 True native_MD 5 129 134 +CD2_AB42_14 CA_AB42_15 1 0.000000e+00 1.009607e-05 ; 3.415920e-01 -1.009607e-05 3.921433e-01 1.656821e-01 0.000485 0.000060 True native_MD 6 129 136 CD2_AB42_14 CB_AB42_15 1 1.821418e-03 4.900536e-06 ; 3.729400e-01 1.692450e-01 1.787410e-01 4.408369e-02 0.000485 0.002332 True native_MD 7 129 137 CD2_AB42_14 CG_AB42_15 1 9.489395e-04 1.404988e-06 ; 3.376025e-01 1.602303e-01 1.438889e-01 4.647750e-02 0.000485 0.002332 True native_MD 7 129 138 CD2_AB42_14 CD_AB42_15 1 1.667670e-03 3.739283e-06 ; 3.617815e-01 1.859397e-01 5.776920e-02 1.226758e-02 0.000485 0.003309 True native_MD 7 129 139 @@ -30206,9 +30206,9 @@ CD2_AB42_14 CB_AB42_42 1 7.105492e-04 9.827831e-07 ; 3.337930e-01 1.284312 CD2_AB42_14 C_AB42_42 1 1.258539e-03 3.959007e-06 ; 3.827835e-01 1.000201e-01 1.191272e-03 6.820907e-04 0.000485 0.003309 True native_MD 7 129 358 CD2_AB42_14 O1_AB42_42 1 4.240042e-04 5.465024e-07 ; 3.298909e-01 8.224099e-02 6.997488e-04 3.743827e-04 0.000485 0.003309 True native_MD 7 129 359 CD2_AB42_14 O2_AB42_42 1 4.240042e-04 5.465024e-07 ; 3.298909e-01 8.224099e-02 6.997488e-04 3.743827e-04 0.000485 0.003309 True native_MD 7 129 360 -CE1_AB42_14 C_AB42_14 1 0.000000e+00 2.055308e-06 ; 2.991585e-01 -2.055308e-06 4.195860e-01 2.105242e-01 0.000485 0.000060 True native_MD 5 130 132 -CE1_AB42_14 O_AB42_14 1 0.000000e+00 8.244074e-07 ; 2.772300e-01 -8.244074e-07 9.842170e-02 9.535559e-02 0.000485 0.000060 True native_MD 6 130 133 -CE1_AB42_14 N_AB42_15 1 0.000000e+00 1.224026e-06 ; 2.865129e-01 -1.224026e-06 2.473561e-01 5.896437e-02 0.000485 0.000060 True native_MD 6 130 134 +CE1_AB42_14 C_AB42_14 1 0.000000e+00 2.055272e-06 ; 2.991581e-01 -2.055272e-06 4.195860e-01 2.105242e-01 0.000485 0.000060 True native_MD 5 130 132 +CE1_AB42_14 O_AB42_14 1 0.000000e+00 8.244036e-07 ; 2.772298e-01 -8.244036e-07 9.842170e-02 9.535559e-02 0.000485 0.000060 True native_MD 6 130 133 +CE1_AB42_14 N_AB42_15 1 0.000000e+00 1.224009e-06 ; 2.865126e-01 -1.224009e-06 2.473561e-01 5.896437e-02 0.000485 0.000060 True native_MD 6 130 134 CE1_AB42_14 CA_AB42_15 1 3.436551e-03 1.856616e-05 ; 4.188899e-01 1.590243e-01 2.592324e-01 7.193866e-02 0.000485 0.001933 True native_MD 7 130 136 CE1_AB42_14 CB_AB42_15 1 2.108607e-03 6.077131e-06 ; 3.772395e-01 1.829081e-01 1.469359e-01 2.407728e-02 0.000485 0.002332 True native_MD 7 130 137 CE1_AB42_14 CG_AB42_15 1 9.153404e-04 1.269609e-06 ; 3.339498e-01 1.649815e-01 1.227905e-01 3.440564e-02 0.000485 0.002332 True native_MD 7 130 138 @@ -30400,12 +30400,12 @@ CE1_AB42_14 CB_AB42_42 1 3.869946e-04 2.982672e-07 ; 3.027960e-01 1.255290 CE1_AB42_14 C_AB42_42 1 7.267852e-04 1.190450e-06 ; 3.433345e-01 1.109280e-01 1.651115e-03 1.079187e-03 0.000485 0.003309 True native_MD 7 130 358 CE1_AB42_14 O1_AB42_42 1 1.859579e-04 9.380270e-08 ; 2.821414e-01 9.216240e-02 9.416456e-04 5.916323e-04 0.000485 0.003309 True native_MD 7 130 359 CE1_AB42_14 O2_AB42_42 1 1.859579e-04 9.380270e-08 ; 2.821414e-01 9.216240e-02 9.416456e-04 5.916323e-04 0.000485 0.003309 True native_MD 7 130 360 -NE2_AB42_14 C_AB42_14 1 0.000000e+00 1.564949e-06 ; 2.924399e-01 -1.564949e-06 3.668775e-01 1.578665e-01 0.000485 0.000060 True native_MD 5 131 132 -NE2_AB42_14 O_AB42_14 1 0.000000e+00 6.034505e-07 ; 2.701149e-01 -6.034505e-07 1.111388e-01 6.959182e-02 0.000485 0.000060 True native_MD 6 131 133 -NE2_AB42_14 N_AB42_15 1 0.000000e+00 9.596547e-07 ; 2.807617e-01 -9.596547e-07 2.079013e-01 4.364964e-02 0.000485 0.000060 True native_MD 6 131 134 +NE2_AB42_14 C_AB42_14 1 0.000000e+00 1.564920e-06 ; 2.924395e-01 -1.564920e-06 3.668775e-01 1.578665e-01 0.000485 0.000060 True native_MD 5 131 132 +NE2_AB42_14 O_AB42_14 1 0.000000e+00 6.034473e-07 ; 2.701147e-01 -6.034473e-07 1.111388e-01 6.959182e-02 0.000485 0.000060 True native_MD 6 131 133 +NE2_AB42_14 N_AB42_15 1 0.000000e+00 9.596407e-07 ; 2.807614e-01 -9.596407e-07 2.079013e-01 4.364964e-02 0.000485 0.000060 True native_MD 6 131 134 NE2_AB42_14 CA_AB42_15 1 3.070500e-03 1.513061e-05 ; 4.125164e-01 1.557765e-01 2.486923e-01 5.269053e-02 0.000485 0.001339 True native_MD 7 131 136 -NE2_AB42_14 CB_AB42_15 1 0.000000e+00 4.281711e-06 ; 3.180264e-01 -4.281711e-06 1.290282e-01 1.689259e-02 0.000485 0.000060 True native_MD 7 131 137 -NE2_AB42_14 CG_AB42_15 1 0.000000e+00 4.393326e-06 ; 3.187091e-01 -4.393326e-06 1.161538e-01 2.716300e-02 0.000485 0.000060 True native_MD 7 131 138 +NE2_AB42_14 CB_AB42_15 1 0.000000e+00 4.281636e-06 ; 3.180259e-01 -4.281636e-06 1.290282e-01 1.689259e-02 0.000485 0.000060 True native_MD 7 131 137 +NE2_AB42_14 CG_AB42_15 1 0.000000e+00 4.393250e-06 ; 3.187086e-01 -4.393250e-06 1.161538e-01 2.716300e-02 0.000485 0.000060 True native_MD 7 131 138 NE2_AB42_14 CD_AB42_15 1 1.166486e-03 1.805790e-06 ; 3.401193e-01 1.883788e-01 6.964206e-02 8.998268e-03 0.000485 0.002166 True native_MD 7 131 139 NE2_AB42_14 OE1_AB42_15 1 3.850250e-04 1.993478e-07 ; 2.833699e-01 1.859115e-01 3.326737e-02 4.627898e-03 0.000485 0.002166 True native_MD 7 131 140 NE2_AB42_14 NE2_AB42_15 1 6.021620e-04 5.238543e-07 ; 3.089699e-01 1.730439e-01 4.280100e-02 8.750990e-03 0.000485 0.002166 True native_MD 7 131 141 @@ -30413,31 +30413,31 @@ NE2_AB42_14 C_AB42_15 1 1.335719e-03 2.278497e-06 ; 3.456651e-01 1.957589 NE2_AB42_14 O_AB42_15 1 4.013403e-04 2.204851e-07 ; 2.861834e-01 1.826359e-01 1.371409e-01 2.104283e-02 0.000485 0.002166 True native_MD 7 131 143 NE2_AB42_14 N_AB42_16 1 8.204077e-04 1.073691e-06 ; 3.307310e-01 1.567185e-01 4.921588e-02 1.640125e-02 0.000485 0.002166 True native_MD 7 131 144 NE2_AB42_14 CA_AB42_16 1 1.285997e-03 3.013197e-06 ; 3.644444e-01 1.372121e-01 1.005069e-01 3.711430e-02 0.000485 0.001339 True native_MD 7 131 146 -NE2_AB42_14 CB_AB42_16 1 0.000000e+00 4.661380e-06 ; 3.202859e-01 -4.661380e-06 6.490888e-02 3.150231e-02 0.000485 0.000060 True native_MD 7 131 147 -NE2_AB42_14 CG_AB42_16 1 0.000000e+00 4.673210e-06 ; 3.203536e-01 -4.673210e-06 5.922965e-02 2.827608e-02 0.000485 0.000060 True native_MD 7 131 148 -NE2_AB42_14 CD_AB42_16 1 0.000000e+00 4.755497e-06 ; 3.208199e-01 -4.755497e-06 3.765689e-02 2.376657e-02 0.000485 0.000060 True native_MD 7 131 149 -NE2_AB42_14 CE_AB42_16 1 0.000000e+00 4.822839e-06 ; 3.211961e-01 -4.822839e-06 2.553893e-02 2.561283e-02 0.000485 0.000060 True native_MD 7 131 150 +NE2_AB42_14 CB_AB42_16 1 0.000000e+00 4.661299e-06 ; 3.202855e-01 -4.661299e-06 6.490888e-02 3.150231e-02 0.000485 0.000060 True native_MD 7 131 147 +NE2_AB42_14 CG_AB42_16 1 0.000000e+00 4.673129e-06 ; 3.203531e-01 -4.673129e-06 5.922965e-02 2.827608e-02 0.000485 0.000060 True native_MD 7 131 148 +NE2_AB42_14 CD_AB42_16 1 0.000000e+00 4.755414e-06 ; 3.208195e-01 -4.755414e-06 3.765689e-02 2.376657e-02 0.000485 0.000060 True native_MD 7 131 149 +NE2_AB42_14 CE_AB42_16 1 0.000000e+00 4.822756e-06 ; 3.211956e-01 -4.822756e-06 2.553893e-02 2.561283e-02 0.000485 0.000060 True native_MD 7 131 150 NE2_AB42_14 NZ_AB42_16 1 6.405071e-04 8.735923e-07 ; 3.330153e-01 1.174030e-01 1.184899e-02 1.280631e-02 0.000485 0.002166 True native_MD 7 131 151 NE2_AB42_14 C_AB42_16 1 7.139444e-04 9.693235e-07 ; 3.327623e-01 1.314620e-01 1.712258e-02 1.215026e-02 0.000485 0.002166 True native_MD 7 131 152 NE2_AB42_14 O_AB42_16 1 1.523318e-04 5.063010e-08 ; 2.631902e-01 1.145809e-01 1.269933e-02 1.493501e-02 0.000485 0.002166 True native_MD 7 131 153 NE2_AB42_14 N_AB42_17 1 3.666881e-04 2.437156e-07 ; 2.954140e-01 1.379274e-01 9.712294e-03 5.679572e-03 0.000485 0.002166 True native_MD 7 131 154 NE2_AB42_14 CA_AB42_17 1 7.573028e-04 1.418962e-06 ; 3.511157e-01 1.010435e-01 1.551213e-02 1.690782e-02 0.000485 0.001339 True native_MD 7 131 156 -NE2_AB42_14 CB_AB42_17 1 0.000000e+00 4.853389e-06 ; 3.213651e-01 -4.853389e-06 1.221622e-02 1.862489e-02 0.000485 0.000060 True native_MD 7 131 157 -NE2_AB42_14 CG_AB42_17 1 0.000000e+00 9.957085e-06 ; 3.411976e-01 -9.957085e-06 2.676371e-02 2.875588e-02 0.000485 0.000060 True native_MD 7 131 158 -NE2_AB42_14 CD1_AB42_17 1 0.000000e+00 3.647110e-06 ; 3.138032e-01 -3.647110e-06 2.021884e-02 3.377826e-02 0.000485 0.000060 True native_MD 7 131 159 -NE2_AB42_14 CD2_AB42_17 1 0.000000e+00 3.593664e-06 ; 3.134174e-01 -3.593664e-06 1.853341e-02 1.723966e-02 0.000485 0.000060 True native_MD 7 131 160 +NE2_AB42_14 CB_AB42_17 1 0.000000e+00 4.853304e-06 ; 3.213647e-01 -4.853304e-06 1.221622e-02 1.862489e-02 0.000485 0.000060 True native_MD 7 131 157 +NE2_AB42_14 CG_AB42_17 1 0.000000e+00 9.957027e-06 ; 3.411975e-01 -9.957027e-06 2.676371e-02 2.875588e-02 0.000485 0.000060 True native_MD 7 131 158 +NE2_AB42_14 CD1_AB42_17 1 0.000000e+00 3.647060e-06 ; 3.138029e-01 -3.647060e-06 2.021884e-02 3.377826e-02 0.000485 0.000060 True native_MD 7 131 159 +NE2_AB42_14 CD2_AB42_17 1 0.000000e+00 3.593615e-06 ; 3.134171e-01 -3.593615e-06 1.853341e-02 1.723966e-02 0.000485 0.000060 True native_MD 7 131 160 NE2_AB42_14 C_AB42_17 1 4.881824e-04 5.208646e-07 ; 3.196616e-01 1.143877e-01 4.568486e-03 5.403767e-03 0.000485 0.002166 True native_MD 7 131 161 NE2_AB42_14 O_AB42_17 1 1.315631e-04 4.213732e-08 ; 2.615705e-01 1.026931e-01 4.200733e-03 7.051033e-03 0.000485 0.002166 True native_MD 7 131 162 NE2_AB42_14 N_AB42_18 1 9.985033e-04 2.068389e-06 ; 3.570375e-01 1.205055e-01 2.520384e-03 2.482487e-03 0.000485 0.002166 True native_MD 7 131 163 NE2_AB42_14 CA_AB42_18 1 1.060965e-03 3.436095e-06 ; 3.846455e-01 8.189870e-02 6.843959e-03 1.322946e-02 0.000485 0.001339 True native_MD 7 131 165 -NE2_AB42_14 CB_AB42_18 1 0.000000e+00 9.965798e-06 ; 3.412225e-01 -9.965798e-06 1.078638e-02 1.365538e-02 0.000485 0.000060 True native_MD 7 131 166 -NE2_AB42_14 CG1_AB42_18 1 0.000000e+00 3.616734e-06 ; 3.135846e-01 -3.616734e-06 6.128727e-03 1.124643e-02 0.000485 0.000060 True native_MD 7 131 167 -NE2_AB42_14 CG2_AB42_18 1 0.000000e+00 3.603873e-06 ; 3.134915e-01 -3.603873e-06 1.094722e-02 1.249071e-02 0.000485 0.000060 True native_MD 7 131 168 +NE2_AB42_14 CB_AB42_18 1 0.000000e+00 9.965741e-06 ; 3.412223e-01 -9.965741e-06 1.078638e-02 1.365538e-02 0.000485 0.000060 True native_MD 7 131 166 +NE2_AB42_14 CG1_AB42_18 1 0.000000e+00 3.616685e-06 ; 3.135842e-01 -3.616685e-06 6.128727e-03 1.124643e-02 0.000485 0.000060 True native_MD 7 131 167 +NE2_AB42_14 CG2_AB42_18 1 0.000000e+00 3.603824e-06 ; 3.134912e-01 -3.603824e-06 1.094722e-02 1.249071e-02 0.000485 0.000060 True native_MD 7 131 168 NE2_AB42_14 C_AB42_18 1 5.366095e-04 6.788739e-07 ; 3.288681e-01 1.060395e-01 3.372961e-03 5.121948e-03 0.000485 0.002166 True native_MD 7 131 169 NE2_AB42_14 O_AB42_18 1 1.073214e-04 2.825936e-08 ; 2.531703e-01 1.018944e-01 3.201574e-03 5.503909e-03 0.000485 0.002166 True native_MD 7 131 170 NE2_AB42_14 N_AB42_19 1 6.344562e-04 8.990717e-07 ; 3.351445e-01 1.119306e-01 2.913773e-03 3.709544e-03 0.000485 0.002166 True native_MD 7 131 171 NE2_AB42_14 CA_AB42_19 1 9.410030e-04 2.135533e-06 ; 3.625094e-01 1.036611e-01 1.335659e-02 1.346146e-02 0.000485 0.001339 True native_MD 7 131 173 -NE2_AB42_14 CB_AB42_19 1 0.000000e+00 4.801523e-06 ; 3.210775e-01 -4.801523e-06 1.781527e-02 1.346909e-02 0.000485 0.000060 True native_MD 7 131 174 +NE2_AB42_14 CB_AB42_19 1 0.000000e+00 4.801440e-06 ; 3.210771e-01 -4.801440e-06 1.781527e-02 1.346909e-02 0.000485 0.000060 True native_MD 7 131 174 NE2_AB42_14 CG_AB42_19 1 5.986461e-04 6.172524e-07 ; 3.178450e-01 1.451501e-01 1.167343e-02 8.402304e-03 0.000485 0.003309 True native_MD 7 131 175 NE2_AB42_14 CD1_AB42_19 1 3.708929e-04 2.577303e-07 ; 2.976136e-01 1.334356e-01 1.121879e-02 1.146558e-02 0.000485 0.003309 True native_MD 7 131 176 NE2_AB42_14 CD2_AB42_19 1 3.708929e-04 2.577303e-07 ; 2.976136e-01 1.334356e-01 1.121879e-02 1.146558e-02 0.000485 0.003309 True native_MD 7 131 177 @@ -30448,7 +30448,7 @@ NE2_AB42_14 C_AB42_19 1 7.614316e-04 1.150299e-06 ; 3.387375e-01 1.260060 NE2_AB42_14 O_AB42_19 1 1.292922e-04 3.152669e-08 ; 2.499488e-01 1.325582e-01 6.101158e-03 4.189798e-03 0.000485 0.002166 True native_MD 7 131 182 NE2_AB42_14 N_AB42_20 1 4.128548e-04 3.740238e-07 ; 3.110644e-01 1.139293e-01 2.298940e-03 2.756873e-03 0.000485 0.002166 True native_MD 7 131 183 NE2_AB42_14 CA_AB42_20 1 1.831334e-03 8.523324e-06 ; 4.086080e-01 9.837082e-02 7.416534e-03 8.756953e-03 0.000485 0.001339 True native_MD 7 131 185 -NE2_AB42_14 CB_AB42_20 1 0.000000e+00 4.811253e-06 ; 3.211317e-01 -4.811253e-06 1.115389e-02 8.825173e-03 0.000485 0.000060 True native_MD 7 131 186 +NE2_AB42_14 CB_AB42_20 1 0.000000e+00 4.811169e-06 ; 3.211312e-01 -4.811169e-06 1.115389e-02 8.825173e-03 0.000485 0.000060 True native_MD 7 131 186 NE2_AB42_14 CG_AB42_20 1 6.053318e-04 5.945999e-07 ; 3.152864e-01 1.540644e-01 8.899995e-03 4.906077e-03 0.000485 0.003309 True native_MD 7 131 187 NE2_AB42_14 CD1_AB42_20 1 4.826358e-04 3.937014e-07 ; 3.056736e-01 1.479149e-01 1.035790e-02 6.863389e-03 0.000485 0.003309 True native_MD 7 131 188 NE2_AB42_14 CD2_AB42_20 1 4.826358e-04 3.937014e-07 ; 3.056736e-01 1.479149e-01 1.035790e-02 6.863389e-03 0.000485 0.003309 True native_MD 7 131 189 @@ -30459,29 +30459,29 @@ NE2_AB42_14 C_AB42_20 1 6.393176e-04 9.741566e-07 ; 3.392231e-01 1.048925 NE2_AB42_14 O_AB42_20 1 8.586991e-05 1.857588e-08 ; 2.450105e-01 9.923679e-02 1.511206e-03 2.813010e-03 0.000485 0.002166 True native_MD 7 131 194 NE2_AB42_14 N_AB42_21 1 7.136993e-04 1.507474e-06 ; 3.581974e-01 8.447352e-02 7.480966e-04 1.939810e-03 0.000485 0.002166 True native_MD 7 131 195 NE2_AB42_14 CA_AB42_21 1 8.893966e-04 2.807101e-06 ; 3.829956e-01 7.044869e-02 2.445634e-03 6.659446e-03 0.000485 0.001339 True native_MD 7 131 197 -NE2_AB42_14 CB_AB42_21 1 0.000000e+00 3.611185e-06 ; 3.135445e-01 -3.611185e-06 2.578601e-03 6.154088e-03 0.000485 0.000060 True native_MD 7 131 198 +NE2_AB42_14 CB_AB42_21 1 0.000000e+00 3.611135e-06 ; 3.135441e-01 -3.611135e-06 2.578601e-03 6.154088e-03 0.000485 0.000060 True native_MD 7 131 198 NE2_AB42_14 C_AB42_21 1 6.342164e-04 1.056284e-06 ; 3.442896e-01 9.519938e-02 1.031236e-03 1.191809e-03 0.000485 0.002166 True native_MD 7 131 199 NE2_AB42_14 O_AB42_21 1 8.536319e-05 2.199115e-08 ; 2.522491e-01 8.283870e-02 7.123779e-04 1.322829e-03 0.000485 0.002166 True native_MD 7 131 200 NE2_AB42_14 N_AB42_22 1 8.340137e-04 1.949153e-06 ; 3.642885e-01 8.921554e-02 8.621606e-04 3.987044e-04 0.000485 0.002166 True native_MD 7 131 201 NE2_AB42_14 CA_AB42_22 1 1.473596e-03 5.740023e-06 ; 3.966637e-01 9.457656e-02 1.769732e-03 2.340843e-03 0.000485 0.001339 True native_MD 7 131 203 -NE2_AB42_14 CB_AB42_22 1 0.000000e+00 4.828017e-06 ; 3.212248e-01 -4.828017e-06 1.264678e-03 2.412179e-03 0.000485 0.000060 True native_MD 7 131 204 -NE2_AB42_14 CG_AB42_22 1 0.000000e+00 4.830021e-06 ; 3.212359e-01 -4.830021e-06 1.828604e-03 3.391798e-03 0.000485 0.000060 True native_MD 7 131 205 +NE2_AB42_14 CB_AB42_22 1 0.000000e+00 4.827933e-06 ; 3.212243e-01 -4.827933e-06 1.264678e-03 2.412179e-03 0.000485 0.000060 True native_MD 7 131 204 +NE2_AB42_14 CG_AB42_22 1 0.000000e+00 4.829937e-06 ; 3.212354e-01 -4.829937e-06 1.828604e-03 3.391798e-03 0.000485 0.000060 True native_MD 7 131 205 NE2_AB42_14 CD_AB42_22 1 4.271401e-04 5.032415e-07 ; 3.249883e-01 9.063673e-02 1.608044e-03 3.871739e-03 0.000485 0.002166 True native_MD 7 131 206 NE2_AB42_14 OE1_AB42_22 1 1.036975e-04 2.990908e-08 ; 2.570430e-01 8.988224e-02 1.093520e-03 2.693113e-03 0.000485 0.002166 True native_MD 7 131 207 NE2_AB42_14 OE2_AB42_22 1 1.036975e-04 2.990908e-08 ; 2.570430e-01 8.988224e-02 1.093520e-03 2.693113e-03 0.000485 0.002166 True native_MD 7 131 208 NE2_AB42_14 C_AB42_22 1 6.217898e-04 1.067355e-06 ; 3.460277e-01 9.055620e-02 8.974540e-04 6.529931e-04 0.000485 0.002166 True native_MD 7 131 209 NE2_AB42_14 O_AB42_22 1 9.831567e-05 2.593396e-08 ; 2.532451e-01 9.317868e-02 9.707239e-04 7.698556e-04 0.000485 0.002166 True native_MD 7 131 210 NE2_AB42_14 CA_AB42_23 1 1.234816e-03 3.167377e-06 ; 3.699840e-01 1.203496e-01 2.527184e-03 1.545748e-03 0.000485 0.001339 True native_MD 7 131 213 -NE2_AB42_14 CB_AB42_23 1 0.000000e+00 4.819093e-06 ; 3.211753e-01 -4.819093e-06 2.700051e-03 1.997174e-03 0.000485 0.000060 True native_MD 7 131 214 +NE2_AB42_14 CB_AB42_23 1 0.000000e+00 4.819010e-06 ; 3.211748e-01 -4.819010e-06 2.700051e-03 1.997174e-03 0.000485 0.000060 True native_MD 7 131 214 NE2_AB42_14 CG_AB42_23 1 3.024801e-04 1.977239e-07 ; 2.945962e-01 1.156843e-01 2.246198e-03 2.555769e-03 0.000485 0.002166 True native_MD 7 131 215 NE2_AB42_14 OD1_AB42_23 1 1.004765e-04 2.538406e-08 ; 2.514294e-01 9.942775e-02 1.194275e-03 2.210408e-03 0.000485 0.002166 True native_MD 7 131 216 NE2_AB42_14 OD2_AB42_23 1 1.004765e-04 2.538406e-08 ; 2.514294e-01 9.942775e-02 1.194275e-03 2.210408e-03 0.000485 0.002166 True native_MD 7 131 217 NE2_AB42_14 C_AB42_23 1 4.159198e-04 5.573064e-07 ; 3.320326e-01 7.760063e-02 6.090220e-04 8.470639e-04 0.000485 0.002166 True native_MD 7 131 218 NE2_AB42_14 O_AB42_23 1 1.155835e-04 4.514612e-08 ; 2.703673e-01 7.397944e-02 5.464742e-04 1.044970e-03 0.000485 0.002166 True native_MD 7 131 219 NE2_AB42_14 CA_AB42_24 1 7.743833e-04 1.617647e-06 ; 3.575373e-01 9.267619e-02 1.565481e-03 2.191851e-03 0.000485 0.001339 True native_MD 7 131 222 -NE2_AB42_14 CB_AB42_24 1 0.000000e+00 9.938970e-06 ; 3.411459e-01 -9.938970e-06 2.950712e-03 3.119953e-03 0.000485 0.000060 True native_MD 7 131 223 -NE2_AB42_14 CG1_AB42_24 1 0.000000e+00 3.602228e-06 ; 3.134796e-01 -3.602228e-06 1.638728e-03 2.724963e-03 0.000485 0.000060 True native_MD 7 131 224 -NE2_AB42_14 CG2_AB42_24 1 0.000000e+00 3.595168e-06 ; 3.134283e-01 -3.595168e-06 3.417260e-03 2.541490e-03 0.000485 0.000060 True native_MD 7 131 225 +NE2_AB42_14 CB_AB42_24 1 0.000000e+00 9.938913e-06 ; 3.411457e-01 -9.938913e-06 2.950712e-03 3.119953e-03 0.000485 0.000060 True native_MD 7 131 223 +NE2_AB42_14 CG1_AB42_24 1 0.000000e+00 3.602178e-06 ; 3.134792e-01 -3.602178e-06 1.638728e-03 2.724963e-03 0.000485 0.000060 True native_MD 7 131 224 +NE2_AB42_14 CG2_AB42_24 1 0.000000e+00 3.595119e-06 ; 3.134280e-01 -3.595119e-06 3.417260e-03 2.541490e-03 0.000485 0.000060 True native_MD 7 131 225 NE2_AB42_14 C_AB42_24 1 4.281759e-04 5.732117e-07 ; 3.319827e-01 7.995938e-02 6.535651e-04 9.950576e-04 0.000485 0.002166 True native_MD 7 131 226 NE2_AB42_14 O_AB42_24 1 8.372748e-05 2.297882e-08 ; 2.549235e-01 7.626906e-02 5.852306e-04 6.728620e-04 0.000485 0.002166 True native_MD 7 131 227 NE2_AB42_14 N_AB42_25 1 7.590023e-04 1.586703e-06 ; 3.575818e-01 9.076756e-02 9.031486e-04 1.043219e-03 0.000485 0.002166 True native_MD 7 131 228 @@ -30490,11 +30490,11 @@ NE2_AB42_14 C_AB42_25 1 5.463191e-04 6.121028e-07 ; 3.222773e-01 1.219013 NE2_AB42_14 O_AB42_25 1 1.345324e-04 3.938074e-08 ; 2.576773e-01 1.148973e-01 1.859367e-03 9.357597e-04 0.000485 0.002166 True native_MD 7 131 232 NE2_AB42_14 N_AB42_26 1 3.331114e-04 2.822692e-07 ; 3.076184e-01 9.827781e-02 1.130752e-03 6.443796e-04 0.000485 0.002166 True native_MD 7 131 233 NE2_AB42_14 CA_AB42_26 1 1.647142e-03 5.400386e-06 ; 3.854331e-01 1.255964e-01 4.154527e-03 2.171863e-03 0.000485 0.001339 True native_MD 7 131 235 -NE2_AB42_14 CB_AB42_26 1 0.000000e+00 4.812676e-06 ; 3.211396e-01 -4.812676e-06 4.312350e-03 2.278683e-03 0.000485 0.000060 True native_MD 7 131 236 +NE2_AB42_14 CB_AB42_26 1 0.000000e+00 4.812592e-06 ; 3.211392e-01 -4.812592e-06 4.312350e-03 2.278683e-03 0.000485 0.000060 True native_MD 7 131 236 NE2_AB42_14 OG_AB42_26 1 1.603853e-04 4.748374e-08 ; 2.581646e-01 1.354329e-01 3.437631e-03 1.566703e-03 0.000485 0.002166 True native_MD 7 131 237 NE2_AB42_14 O_AB42_26 1 5.955423e-05 1.181017e-08 ; 2.414852e-01 7.507741e-02 5.647283e-04 5.958995e-04 0.000485 0.002166 True native_MD 7 131 239 NE2_AB42_14 CA_AB42_27 1 1.593863e-03 5.786727e-06 ; 3.920400e-01 1.097511e-01 1.746179e-03 1.466681e-03 0.000485 0.001339 True native_MD 7 131 242 -NE2_AB42_14 CB_AB42_27 1 0.000000e+00 4.826229e-06 ; 3.212149e-01 -4.826229e-06 1.046064e-03 1.822816e-03 0.000485 0.000060 True native_MD 7 131 243 +NE2_AB42_14 CB_AB42_27 1 0.000000e+00 4.826145e-06 ; 3.212144e-01 -4.826145e-06 1.046064e-03 1.822816e-03 0.000485 0.000060 True native_MD 7 131 243 NE2_AB42_14 CG_AB42_27 1 4.509619e-04 6.146853e-07 ; 3.329805e-01 8.271168e-02 7.096752e-04 1.909842e-03 0.000485 0.002166 True native_MD 7 131 244 NE2_AB42_14 OD1_AB42_27 1 1.966143e-04 1.117802e-07 ; 2.878226e-01 8.645804e-02 7.938708e-04 1.879326e-03 0.000485 0.002166 True native_MD 7 131 245 NE2_AB42_14 ND2_AB42_27 1 6.766506e-04 1.105539e-06 ; 3.431902e-01 1.035369e-01 1.323481e-03 1.968091e-03 0.000485 0.002166 True native_MD 7 131 246 @@ -30502,10 +30502,10 @@ NE2_AB42_14 C_AB42_27 1 7.738910e-04 1.603971e-06 ; 3.570695e-01 9.334757 NE2_AB42_14 O_AB42_27 1 1.850680e-04 8.893523e-08 ; 2.798705e-01 9.627834e-02 1.065077e-03 9.634409e-04 0.000485 0.002166 True native_MD 7 131 248 NE2_AB42_14 N_AB42_28 1 6.936575e-04 1.555011e-06 ; 3.617690e-01 7.735650e-02 6.045889e-04 2.575201e-04 0.000485 0.002166 True native_MD 7 131 249 NE2_AB42_14 CA_AB42_28 1 1.026788e-03 2.380903e-06 ; 3.638119e-01 1.107030e-01 2.384462e-03 1.946546e-03 0.000485 0.001339 True native_MD 7 131 251 -NE2_AB42_14 CB_AB42_28 1 0.000000e+00 4.817898e-06 ; 3.211686e-01 -4.817898e-06 1.918662e-03 9.678546e-04 0.000485 0.000060 True native_MD 7 131 252 -NE2_AB42_14 CG_AB42_28 1 0.000000e+00 4.822345e-06 ; 3.211933e-01 -4.822345e-06 1.343438e-03 1.314811e-03 0.000485 0.000060 True native_MD 7 131 253 -NE2_AB42_14 CD_AB42_28 1 0.000000e+00 4.820904e-06 ; 3.211853e-01 -4.820904e-06 1.686685e-03 1.359393e-03 0.000485 0.000060 True native_MD 7 131 254 -NE2_AB42_14 CE_AB42_28 1 0.000000e+00 4.824127e-06 ; 3.212032e-01 -4.824127e-06 1.296807e-03 1.637700e-03 0.000485 0.000060 True native_MD 7 131 255 +NE2_AB42_14 CB_AB42_28 1 0.000000e+00 4.817814e-06 ; 3.211682e-01 -4.817814e-06 1.918662e-03 9.678546e-04 0.000485 0.000060 True native_MD 7 131 252 +NE2_AB42_14 CG_AB42_28 1 0.000000e+00 4.822261e-06 ; 3.211929e-01 -4.822261e-06 1.343438e-03 1.314811e-03 0.000485 0.000060 True native_MD 7 131 253 +NE2_AB42_14 CD_AB42_28 1 0.000000e+00 4.820821e-06 ; 3.211849e-01 -4.820821e-06 1.686685e-03 1.359393e-03 0.000485 0.000060 True native_MD 7 131 254 +NE2_AB42_14 CE_AB42_28 1 0.000000e+00 4.824043e-06 ; 3.212028e-01 -4.824043e-06 1.296807e-03 1.637700e-03 0.000485 0.000060 True native_MD 7 131 255 NE2_AB42_14 C_AB42_28 1 8.602482e-04 1.878689e-06 ; 3.601957e-01 9.847651e-02 1.137496e-03 7.029647e-04 0.000485 0.002166 True native_MD 7 131 257 NE2_AB42_14 O_AB42_28 1 1.413658e-04 4.872942e-08 ; 2.647938e-01 1.025268e-01 1.284074e-03 8.056404e-04 0.000485 0.002166 True native_MD 7 131 258 NE2_AB42_14 CA_AB42_29 1 5.613405e-04 7.167432e-07 ; 3.293742e-01 1.099080e-01 2.057471e-03 2.034890e-03 0.000485 0.001584 True native_MD 7 131 261 @@ -30513,22 +30513,22 @@ NE2_AB42_14 C_AB42_29 1 5.466452e-04 6.591628e-07 ; 3.262480e-01 1.133335 NE2_AB42_14 O_AB42_29 1 1.484240e-04 5.283944e-08 ; 2.662210e-01 1.042293e-01 1.351193e-03 1.158920e-03 0.000485 0.002166 True native_MD 7 131 263 NE2_AB42_14 N_AB42_30 1 3.303377e-04 2.634081e-07 ; 3.045172e-01 1.035684e-01 1.324730e-03 3.525032e-04 0.000485 0.002166 True native_MD 7 131 264 NE2_AB42_14 CA_AB42_30 1 1.502949e-03 4.191425e-06 ; 3.751770e-01 1.347307e-01 4.975051e-03 1.978757e-03 0.000485 0.001339 True native_MD 7 131 266 -NE2_AB42_14 CB_AB42_30 1 0.000000e+00 3.588569e-06 ; 3.133804e-01 -3.588569e-06 4.550790e-03 1.841322e-03 0.000485 0.000060 True native_MD 7 131 267 +NE2_AB42_14 CB_AB42_30 1 0.000000e+00 3.588520e-06 ; 3.133800e-01 -3.588520e-06 4.550790e-03 1.841322e-03 0.000485 0.000060 True native_MD 7 131 267 NE2_AB42_14 C_AB42_30 1 4.689877e-04 5.390608e-07 ; 3.236528e-01 1.020059e-01 1.264211e-03 5.825044e-04 0.000485 0.002166 True native_MD 7 131 268 NE2_AB42_14 O_AB42_30 1 1.384466e-04 4.203752e-08 ; 2.592542e-01 1.139902e-01 1.809572e-03 8.029592e-04 0.000485 0.002166 True native_MD 7 131 269 NE2_AB42_14 CA_AB42_31 1 2.001018e-03 7.216359e-06 ; 3.916017e-01 1.387151e-01 3.792432e-03 6.927080e-04 0.000485 0.001339 True native_MD 7 131 272 -NE2_AB42_14 CB_AB42_31 1 0.000000e+00 9.886221e-06 ; 3.409946e-01 -9.886221e-06 6.075548e-03 9.366439e-04 0.000485 0.000060 True native_MD 7 131 273 -NE2_AB42_14 CG1_AB42_31 1 0.000000e+00 4.799692e-06 ; 3.210673e-01 -4.799692e-06 5.627770e-03 9.017415e-04 0.000485 0.000060 True native_MD 7 131 274 -NE2_AB42_14 CG2_AB42_31 1 0.000000e+00 3.582882e-06 ; 3.133389e-01 -3.582882e-06 5.293391e-03 1.003455e-03 0.000485 0.000060 True native_MD 7 131 275 -NE2_AB42_14 CD_AB42_31 1 0.000000e+00 3.577457e-06 ; 3.132994e-01 -3.577457e-06 7.390934e-03 1.593182e-03 0.000485 0.000060 True native_MD 7 131 276 +NE2_AB42_14 CB_AB42_31 1 0.000000e+00 9.886164e-06 ; 3.409945e-01 -9.886164e-06 6.075548e-03 9.366439e-04 0.000485 0.000060 True native_MD 7 131 273 +NE2_AB42_14 CG1_AB42_31 1 0.000000e+00 4.799608e-06 ; 3.210669e-01 -4.799608e-06 5.627770e-03 9.017415e-04 0.000485 0.000060 True native_MD 7 131 274 +NE2_AB42_14 CG2_AB42_31 1 0.000000e+00 3.582833e-06 ; 3.133386e-01 -3.582833e-06 5.293391e-03 1.003455e-03 0.000485 0.000060 True native_MD 7 131 275 +NE2_AB42_14 CD_AB42_31 1 0.000000e+00 3.577408e-06 ; 3.132990e-01 -3.577408e-06 7.390934e-03 1.593182e-03 0.000485 0.000060 True native_MD 7 131 276 NE2_AB42_14 C_AB42_31 1 7.168930e-04 1.241216e-06 ; 3.465231e-01 1.035145e-01 1.322597e-03 3.615821e-04 0.000485 0.002166 True native_MD 7 131 277 NE2_AB42_14 O_AB42_31 1 9.408469e-05 2.470027e-08 ; 2.530446e-01 8.959343e-02 8.719657e-04 4.732027e-04 0.000485 0.002166 True native_MD 7 131 278 NE2_AB42_14 N_AB42_32 1 3.652770e-04 3.356920e-07 ; 3.118074e-01 9.936734e-02 1.168228e-03 2.629740e-04 0.000485 0.002166 True native_MD 7 131 279 NE2_AB42_14 CA_AB42_32 1 1.721765e-03 5.122982e-06 ; 3.792493e-01 1.446654e-01 4.531602e-03 1.027906e-03 0.000485 0.001339 True native_MD 7 131 281 -NE2_AB42_14 CB_AB42_32 1 0.000000e+00 9.886149e-06 ; 3.409944e-01 -9.886149e-06 6.469277e-03 1.323150e-03 0.000485 0.000060 True native_MD 7 131 282 -NE2_AB42_14 CG1_AB42_32 1 0.000000e+00 4.801242e-06 ; 3.210760e-01 -4.801242e-06 5.492335e-03 1.087782e-03 0.000485 0.000060 True native_MD 7 131 283 -NE2_AB42_14 CG2_AB42_32 1 0.000000e+00 3.584792e-06 ; 3.133529e-01 -3.584792e-06 5.204419e-03 1.445070e-03 0.000485 0.000060 True native_MD 7 131 284 -NE2_AB42_14 CD_AB42_32 1 0.000000e+00 3.578524e-06 ; 3.133072e-01 -3.578524e-06 6.701373e-03 1.200173e-03 0.000485 0.000060 True native_MD 7 131 285 +NE2_AB42_14 CB_AB42_32 1 0.000000e+00 9.886093e-06 ; 3.409943e-01 -9.886093e-06 6.469277e-03 1.323150e-03 0.000485 0.000060 True native_MD 7 131 282 +NE2_AB42_14 CG1_AB42_32 1 0.000000e+00 4.801159e-06 ; 3.210755e-01 -4.801159e-06 5.492335e-03 1.087782e-03 0.000485 0.000060 True native_MD 7 131 283 +NE2_AB42_14 CG2_AB42_32 1 0.000000e+00 3.584743e-06 ; 3.133525e-01 -3.584743e-06 5.204419e-03 1.445070e-03 0.000485 0.000060 True native_MD 7 131 284 +NE2_AB42_14 CD_AB42_32 1 0.000000e+00 3.578475e-06 ; 3.133068e-01 -3.578475e-06 6.701373e-03 1.200173e-03 0.000485 0.000060 True native_MD 7 131 285 NE2_AB42_14 C_AB42_32 1 8.108920e-04 1.316491e-06 ; 3.428276e-01 1.248671e-01 2.505763e-03 5.058863e-04 0.000485 0.002166 True native_MD 7 131 286 NE2_AB42_14 O_AB42_32 1 1.454771e-04 4.143251e-08 ; 2.565022e-01 1.276991e-01 2.727383e-03 4.285780e-04 0.000485 0.002166 True native_MD 7 131 287 NE2_AB42_14 N_AB42_33 1 4.619517e-04 4.368592e-07 ; 3.132979e-01 1.221214e-01 2.308099e-03 5.082152e-04 0.000485 0.002166 True native_MD 7 131 288 @@ -30569,64 +30569,64 @@ NE2_AB42_14 O_AB42_38 1 1.700602e-04 5.463891e-08 ; 2.617077e-01 1.323254 NE2_AB42_14 N_AB42_39 1 4.417775e-04 3.768808e-07 ; 3.079641e-01 1.294622e-01 2.875154e-03 3.130386e-04 0.000485 0.002166 True native_MD 7 131 329 NE2_AB42_14 CA_AB42_39 1 1.506552e-03 3.688176e-06 ; 3.671171e-01 1.538496e-01 5.965073e-03 8.469415e-04 0.000485 0.001339 True native_MD 7 131 331 NE2_AB42_14 CB_AB42_39 1 7.543606e-04 1.968091e-06 ; 3.710317e-01 7.228579e-02 9.152669e-03 1.052140e-03 0.000485 0.000060 True native_MD 7 131 332 -NE2_AB42_14 CG1_AB42_39 1 0.000000e+00 3.577013e-06 ; 3.132961e-01 -3.577013e-06 6.967467e-03 1.046359e-03 0.000485 0.000060 True native_MD 7 131 333 +NE2_AB42_14 CG1_AB42_39 1 0.000000e+00 3.576964e-06 ; 3.132958e-01 -3.576964e-06 6.967467e-03 1.046359e-03 0.000485 0.000060 True native_MD 7 131 333 NE2_AB42_14 CG2_AB42_39 1 4.383618e-04 6.783328e-07 ; 3.400961e-01 7.082108e-02 7.441017e-03 8.937055e-04 0.000485 0.000060 True native_MD 7 131 334 NE2_AB42_14 C_AB42_39 1 5.137917e-04 5.182661e-07 ; 3.166851e-01 1.273390e-01 2.698147e-03 1.914484e-04 0.000485 0.002166 True native_MD 7 131 335 NE2_AB42_14 O_AB42_39 1 1.469546e-04 4.229924e-08 ; 2.569557e-01 1.276362e-01 2.722255e-03 2.511778e-04 0.000485 0.002166 True native_MD 7 131 336 NE2_AB42_14 N_AB42_40 1 8.442907e-04 1.626539e-06 ; 3.527460e-01 1.095619e-01 1.584975e-03 1.000326e-04 0.000485 0.002166 True native_MD 7 131 337 NE2_AB42_14 CA_AB42_40 1 1.504651e-03 3.978968e-06 ; 3.718683e-01 1.422464e-01 4.215143e-03 5.486169e-04 0.000485 0.001339 True native_MD 7 131 339 -NE2_AB42_14 CB_AB42_40 1 0.000000e+00 9.885897e-06 ; 3.409937e-01 -9.885897e-06 6.390491e-03 1.218956e-03 0.000485 0.000060 True native_MD 7 131 340 -NE2_AB42_14 CG1_AB42_40 1 0.000000e+00 3.587315e-06 ; 3.133712e-01 -3.587315e-06 3.944882e-03 8.868742e-04 0.000485 0.000060 True native_MD 7 131 341 +NE2_AB42_14 CB_AB42_40 1 0.000000e+00 9.885840e-06 ; 3.409935e-01 -9.885840e-06 6.390491e-03 1.218956e-03 0.000485 0.000060 True native_MD 7 131 340 +NE2_AB42_14 CG1_AB42_40 1 0.000000e+00 3.587266e-06 ; 3.133709e-01 -3.587266e-06 3.944882e-03 8.868742e-04 0.000485 0.000060 True native_MD 7 131 341 NE2_AB42_14 CG2_AB42_40 1 3.865613e-04 5.130509e-07 ; 3.315052e-01 7.281425e-02 5.825366e-03 6.591447e-04 0.000485 0.000060 True native_MD 7 131 342 NE2_AB42_14 C_AB42_40 1 1.321869e-03 4.076561e-06 ; 3.815202e-01 1.071576e-01 1.474941e-03 1.794890e-04 0.000485 0.002166 True native_MD 7 131 343 NE2_AB42_14 O_AB42_40 1 1.700287e-04 6.742022e-08 ; 2.710470e-01 1.071999e-01 1.476811e-03 1.468319e-04 0.000485 0.002166 True native_MD 7 131 344 NE2_AB42_14 N_AB42_41 1 9.292273e-04 2.506189e-06 ; 3.730915e-01 8.613311e-02 7.861887e-04 2.234644e-04 0.000485 0.002166 True native_MD 7 131 345 NE2_AB42_14 CA_AB42_41 1 1.367380e-03 3.702787e-06 ; 3.733418e-01 1.262378e-01 2.610682e-03 7.405790e-04 0.000485 0.001339 True native_MD 7 131 347 -NE2_AB42_14 CB_AB42_41 1 0.000000e+00 9.908211e-06 ; 3.410578e-01 -9.908211e-06 4.012584e-03 1.086571e-03 0.000485 0.000060 True native_MD 7 131 348 -NE2_AB42_14 CG1_AB42_41 1 0.000000e+00 4.809398e-06 ; 3.211214e-01 -4.809398e-06 3.765011e-03 1.051642e-03 0.000485 0.000060 True native_MD 7 131 349 -NE2_AB42_14 CG2_AB42_41 1 0.000000e+00 3.590360e-06 ; 3.133934e-01 -3.590360e-06 2.726777e-03 5.148300e-04 0.000485 0.000060 True native_MD 7 131 350 -NE2_AB42_14 CD_AB42_41 1 0.000000e+00 3.586192e-06 ; 3.133631e-01 -3.586192e-06 4.730243e-03 1.360195e-03 0.000485 0.000060 True native_MD 7 131 351 +NE2_AB42_14 CB_AB42_41 1 0.000000e+00 9.908154e-06 ; 3.410576e-01 -9.908154e-06 4.012584e-03 1.086571e-03 0.000485 0.000060 True native_MD 7 131 348 +NE2_AB42_14 CG1_AB42_41 1 0.000000e+00 4.809314e-06 ; 3.211209e-01 -4.809314e-06 3.765011e-03 1.051642e-03 0.000485 0.000060 True native_MD 7 131 349 +NE2_AB42_14 CG2_AB42_41 1 0.000000e+00 3.590311e-06 ; 3.133930e-01 -3.590311e-06 2.726777e-03 5.148300e-04 0.000485 0.000060 True native_MD 7 131 350 +NE2_AB42_14 CD_AB42_41 1 0.000000e+00 3.586143e-06 ; 3.133627e-01 -3.586143e-06 4.730243e-03 1.360195e-03 0.000485 0.000060 True native_MD 7 131 351 NE2_AB42_14 C_AB42_41 1 7.217407e-04 1.260346e-06 ; 3.470175e-01 1.033268e-01 1.315185e-03 3.104845e-04 0.000485 0.002166 True native_MD 7 131 352 NE2_AB42_14 O_AB42_41 1 1.522328e-04 5.684644e-08 ; 2.683485e-01 1.019186e-01 1.260913e-03 2.523778e-04 0.000485 0.002166 True native_MD 7 131 353 NE2_AB42_14 N_AB42_42 1 4.312360e-04 5.203821e-07 ; 3.262881e-01 8.934036e-02 8.653870e-04 2.544674e-04 0.000485 0.002166 True native_MD 7 131 354 NE2_AB42_14 CA_AB42_42 1 1.186139e-03 2.649462e-06 ; 3.615516e-01 1.327558e-01 3.172975e-03 1.024588e-03 0.000485 0.001339 True native_MD 7 131 356 -NE2_AB42_14 CB_AB42_42 1 0.000000e+00 3.590853e-06 ; 3.133970e-01 -3.590853e-06 2.789979e-03 7.150885e-04 0.000485 0.000060 True native_MD 7 131 357 +NE2_AB42_14 CB_AB42_42 1 0.000000e+00 3.590804e-06 ; 3.133966e-01 -3.590804e-06 2.789979e-03 7.150885e-04 0.000485 0.000060 True native_MD 7 131 357 NE2_AB42_14 C_AB42_42 1 2.781007e-04 1.781083e-07 ; 2.935939e-01 1.085575e-01 1.538047e-03 7.047644e-04 0.000485 0.002166 True native_MD 7 131 358 NE2_AB42_14 O1_AB42_42 1 7.602081e-05 1.556809e-08 ; 2.427824e-01 9.280462e-02 9.599180e-04 5.290888e-04 0.000485 0.002166 True native_MD 7 131 359 NE2_AB42_14 O2_AB42_42 1 7.602081e-05 1.556809e-08 ; 2.427824e-01 9.280462e-02 9.599180e-04 5.290888e-04 0.000485 0.002166 True native_MD 7 131 360 - C_AB42_14 CB_AB42_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 132 137 - C_AB42_14 CG_AB42_15 1 0.000000e+00 6.332483e-06 ; 3.285687e-01 -6.332483e-06 9.998501e-01 9.996168e-01 0.000485 0.000060 True native_MD 4 132 138 - C_AB42_14 CD_AB42_15 1 0.000000e+00 2.382638e-06 ; 3.028655e-01 -2.382638e-06 1.835909e-01 1.004944e-01 0.000485 0.000060 True native_MD 5 132 139 - C_AB42_14 OE1_AB42_15 1 0.000000e+00 7.827270e-07 ; 2.760340e-01 -7.827270e-07 6.811558e-02 1.464652e-02 0.000485 0.000060 True native_MD 6 132 140 - C_AB42_14 NE2_AB42_15 1 0.000000e+00 2.460695e-06 ; 3.036802e-01 -2.460695e-06 8.213322e-02 2.951567e-02 0.000485 0.000060 True native_MD 6 132 141 - C_AB42_14 O_AB42_15 1 0.000000e+00 7.145088e-07 ; 2.739443e-01 -7.145088e-07 9.620034e-01 8.260399e-01 0.000485 0.000060 True native_MD 4 132 143 - C_AB42_14 N_AB42_16 1 0.000000e+00 1.511040e-06 ; 2.915869e-01 -1.511040e-06 9.798559e-01 9.817729e-01 0.000485 0.000060 True native_MD 4 132 144 - C_AB42_14 CA_AB42_16 1 0.000000e+00 1.322765e-05 ; 3.493697e-01 -1.322765e-05 8.859267e-01 8.993949e-01 0.000485 0.000060 True native_MD 5 132 146 - C_AB42_14 CB_AB42_16 1 0.000000e+00 6.944393e-06 ; 3.311041e-01 -6.944393e-06 1.732709e-01 2.696454e-01 0.000485 0.000060 True native_MD 6 132 147 - C_AB42_14 CG_AB42_16 1 0.000000e+00 5.915714e-06 ; 3.267099e-01 -5.915714e-06 2.306606e-01 1.646282e-01 0.000485 0.000060 True native_MD 7 132 148 - C_AB42_14 CD_AB42_16 1 0.000000e+00 5.975907e-06 ; 3.269856e-01 -5.975907e-06 8.541614e-02 2.888693e-02 0.000485 0.000060 True native_MD 7 132 149 - C_AB42_14 CE_AB42_16 1 0.000000e+00 6.024260e-06 ; 3.272053e-01 -6.024260e-06 6.916484e-02 2.026947e-02 0.000485 0.000060 True native_MD 7 132 150 + C_AB42_14 CB_AB42_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 132 137 + C_AB42_14 CG_AB42_15 1 0.000000e+00 6.332377e-06 ; 3.285682e-01 -6.332377e-06 9.998501e-01 9.996168e-01 0.000485 0.000060 True native_MD 4 132 138 + C_AB42_14 CD_AB42_15 1 0.000000e+00 2.382596e-06 ; 3.028651e-01 -2.382596e-06 1.835909e-01 1.004944e-01 0.000485 0.000060 True native_MD 5 132 139 + C_AB42_14 OE1_AB42_15 1 0.000000e+00 7.827234e-07 ; 2.760339e-01 -7.827234e-07 6.811558e-02 1.464652e-02 0.000485 0.000060 True native_MD 6 132 140 + C_AB42_14 NE2_AB42_15 1 0.000000e+00 2.460679e-06 ; 3.036800e-01 -2.460679e-06 8.213322e-02 2.951567e-02 0.000485 0.000060 True native_MD 6 132 141 + C_AB42_14 O_AB42_15 1 0.000000e+00 7.145055e-07 ; 2.739442e-01 -7.145055e-07 9.620034e-01 8.260399e-01 0.000485 0.000060 True native_MD 4 132 143 + C_AB42_14 N_AB42_16 1 0.000000e+00 1.511019e-06 ; 2.915865e-01 -1.511019e-06 9.798559e-01 9.817729e-01 0.000485 0.000060 True native_MD 4 132 144 + C_AB42_14 CA_AB42_16 1 0.000000e+00 1.322758e-05 ; 3.493695e-01 -1.322758e-05 8.859267e-01 8.993949e-01 0.000485 0.000060 True native_MD 5 132 146 + C_AB42_14 CB_AB42_16 1 0.000000e+00 6.944277e-06 ; 3.311036e-01 -6.944277e-06 1.732709e-01 2.696454e-01 0.000485 0.000060 True native_MD 6 132 147 + C_AB42_14 CG_AB42_16 1 0.000000e+00 5.915615e-06 ; 3.267094e-01 -5.915615e-06 2.306606e-01 1.646282e-01 0.000485 0.000060 True native_MD 7 132 148 + C_AB42_14 CD_AB42_16 1 0.000000e+00 5.975807e-06 ; 3.269852e-01 -5.975807e-06 8.541614e-02 2.888693e-02 0.000485 0.000060 True native_MD 7 132 149 + C_AB42_14 CE_AB42_16 1 0.000000e+00 6.024159e-06 ; 3.272048e-01 -6.024159e-06 6.916484e-02 2.026947e-02 0.000485 0.000060 True native_MD 7 132 150 C_AB42_14 NZ_AB42_16 1 1.112444e-03 2.036060e-06 ; 3.497455e-01 1.519518e-01 3.353708e-02 1.288963e-02 0.000485 0.002166 True native_MD 7 132 151 - C_AB42_14 C_AB42_16 1 0.000000e+00 2.954342e-06 ; 3.083425e-01 -2.954342e-06 6.560146e-02 2.025123e-01 0.000485 0.000060 True native_MD 6 132 152 + C_AB42_14 C_AB42_16 1 0.000000e+00 2.954290e-06 ; 3.083421e-01 -2.954290e-06 6.560146e-02 2.025123e-01 0.000485 0.000060 True native_MD 6 132 152 C_AB42_14 O_AB42_16 1 5.017621e-04 7.691831e-07 ; 3.395643e-01 8.182877e-02 2.886677e-02 9.046564e-02 0.000485 0.002166 True native_MD 7 132 153 C_AB42_14 N_AB42_17 1 5.349459e-04 1.018646e-06 ; 3.520618e-01 7.023224e-02 5.650543e-02 2.505455e-01 0.000485 0.002166 True native_MD 7 132 154 - C_AB42_14 CA_AB42_17 1 0.000000e+00 1.553095e-05 ; 3.540747e-01 -1.553095e-05 6.459536e-02 2.545365e-01 0.000485 0.001339 True native_MD 7 132 156 - C_AB42_14 CB_AB42_17 1 0.000000e+00 7.107245e-06 ; 3.317443e-01 -7.107245e-06 5.649843e-02 1.785838e-01 0.000485 0.000060 True native_MD 7 132 157 - C_AB42_14 CG_AB42_17 1 0.000000e+00 1.434731e-05 ; 3.517433e-01 -1.434731e-05 5.344265e-02 1.526965e-01 0.000485 0.000060 True native_MD 7 132 158 - C_AB42_14 CD1_AB42_17 1 0.000000e+00 4.901234e-06 ; 3.216280e-01 -4.901234e-06 2.113691e-02 5.819021e-02 0.000485 0.000060 True native_MD 7 132 159 - C_AB42_14 CD2_AB42_17 1 0.000000e+00 4.756275e-06 ; 3.208243e-01 -4.756275e-06 1.963170e-02 2.601305e-02 0.000485 0.000060 True native_MD 7 132 160 + C_AB42_14 CA_AB42_17 1 0.000000e+00 1.553087e-05 ; 3.540745e-01 -1.553087e-05 6.459536e-02 2.545365e-01 0.000485 0.001339 True native_MD 7 132 156 + C_AB42_14 CB_AB42_17 1 0.000000e+00 7.107126e-06 ; 3.317438e-01 -7.107126e-06 5.649843e-02 1.785838e-01 0.000485 0.000060 True native_MD 7 132 157 + C_AB42_14 CG_AB42_17 1 0.000000e+00 1.434724e-05 ; 3.517432e-01 -1.434724e-05 5.344265e-02 1.526965e-01 0.000485 0.000060 True native_MD 7 132 158 + C_AB42_14 CD1_AB42_17 1 0.000000e+00 4.901170e-06 ; 3.216276e-01 -4.901170e-06 2.113691e-02 5.819021e-02 0.000485 0.000060 True native_MD 7 132 159 + C_AB42_14 CD2_AB42_17 1 0.000000e+00 4.756213e-06 ; 3.208239e-01 -4.756213e-06 1.963170e-02 2.601305e-02 0.000485 0.000060 True native_MD 7 132 160 C_AB42_14 C_AB42_17 1 1.369817e-03 5.555305e-06 ; 3.993382e-01 8.444177e-02 1.089323e-02 3.156969e-02 0.000485 0.002166 True native_MD 7 132 161 - C_AB42_14 O_AB42_17 1 0.000000e+00 8.656425e-07 ; 2.783598e-01 -8.656425e-07 9.317674e-03 5.611618e-02 0.000485 0.002166 True native_MD 7 132 162 + C_AB42_14 O_AB42_17 1 0.000000e+00 8.656385e-07 ; 2.783597e-01 -8.656385e-07 9.317674e-03 5.611618e-02 0.000485 0.002166 True native_MD 7 132 162 C_AB42_14 N_AB42_18 1 8.404623e-04 1.920140e-06 ; 3.629129e-01 9.196944e-02 9.052607e-03 2.094397e-02 0.000485 0.002166 True native_MD 7 132 163 - C_AB42_14 CA_AB42_18 1 0.000000e+00 1.331947e-05 ; 3.495711e-01 -1.331947e-05 1.129778e-02 3.180060e-02 0.000485 0.001339 True native_MD 7 132 165 - C_AB42_14 CB_AB42_18 1 0.000000e+00 1.348342e-05 ; 3.499277e-01 -1.348342e-05 1.461709e-02 4.768203e-02 0.000485 0.000060 True native_MD 7 132 166 - C_AB42_14 CG1_AB42_18 1 0.000000e+00 4.817950e-06 ; 3.211689e-01 -4.817950e-06 5.381093e-03 2.481228e-02 0.000485 0.000060 True native_MD 7 132 167 - C_AB42_14 CG2_AB42_18 1 0.000000e+00 4.904495e-06 ; 3.216458e-01 -4.904495e-06 1.415463e-02 5.189788e-02 0.000485 0.000060 True native_MD 7 132 168 + C_AB42_14 CA_AB42_18 1 0.000000e+00 1.331940e-05 ; 3.495710e-01 -1.331940e-05 1.129778e-02 3.180060e-02 0.000485 0.001339 True native_MD 7 132 165 + C_AB42_14 CB_AB42_18 1 0.000000e+00 1.348335e-05 ; 3.499276e-01 -1.348335e-05 1.461709e-02 4.768203e-02 0.000485 0.000060 True native_MD 7 132 166 + C_AB42_14 CG1_AB42_18 1 0.000000e+00 4.817887e-06 ; 3.211686e-01 -4.817887e-06 5.381093e-03 2.481228e-02 0.000485 0.000060 True native_MD 7 132 167 + C_AB42_14 CG2_AB42_18 1 0.000000e+00 4.904431e-06 ; 3.216454e-01 -4.904431e-06 1.415463e-02 5.189788e-02 0.000485 0.000060 True native_MD 7 132 168 C_AB42_14 C_AB42_18 1 2.605243e-03 1.391463e-05 ; 4.180908e-01 1.219452e-01 2.295964e-03 1.320437e-03 0.000485 0.002166 True native_MD 7 132 169 - C_AB42_14 O_AB42_18 1 0.000000e+00 8.301653e-07 ; 2.773908e-01 -8.301653e-07 7.258035e-04 4.622595e-03 0.000485 0.002166 True native_MD 7 132 170 + C_AB42_14 O_AB42_18 1 0.000000e+00 8.301614e-07 ; 2.773907e-01 -8.301614e-07 7.258035e-04 4.622595e-03 0.000485 0.002166 True native_MD 7 132 170 C_AB42_14 N_AB42_19 1 1.300213e-03 2.773673e-06 ; 3.587899e-01 1.523749e-01 5.707543e-03 3.924508e-04 0.000485 0.002166 True native_MD 7 132 171 C_AB42_14 CA_AB42_19 1 3.358444e-03 1.944171e-05 ; 4.237399e-01 1.450380e-01 7.296613e-03 2.131812e-03 0.000485 0.001339 True native_MD 7 132 173 - C_AB42_14 CB_AB42_19 1 0.000000e+00 6.304595e-06 ; 3.284479e-01 -6.304595e-06 8.726625e-03 4.090321e-03 0.000485 0.000060 True native_MD 7 132 174 + C_AB42_14 CB_AB42_19 1 0.000000e+00 6.304489e-06 ; 3.284474e-01 -6.304489e-06 8.726625e-03 4.090321e-03 0.000485 0.000060 True native_MD 7 132 174 C_AB42_14 CG_AB42_19 1 2.088566e-03 8.515762e-06 ; 3.996955e-01 1.280598e-01 2.756981e-03 1.670967e-03 0.000485 0.003309 True native_MD 7 132 175 C_AB42_14 CD1_AB42_19 1 1.457823e-03 4.229650e-06 ; 3.776591e-01 1.256160e-01 3.299512e-03 4.261069e-03 0.000485 0.003309 True native_MD 7 132 176 C_AB42_14 CD2_AB42_19 1 1.457823e-03 4.229650e-06 ; 3.776591e-01 1.256160e-01 3.299512e-03 4.261069e-03 0.000485 0.003309 True native_MD 7 132 177 @@ -30636,7 +30636,7 @@ NE2_AB42_14 O2_AB42_42 1 7.602081e-05 1.556809e-08 ; 2.427824e-01 9.280462 C_AB42_14 C_AB42_19 1 2.317968e-03 1.078551e-05 ; 4.085911e-01 1.245415e-01 2.481461e-03 1.142253e-04 0.000485 0.002166 True native_MD 7 132 181 C_AB42_14 O_AB42_19 1 9.717365e-04 1.692151e-06 ; 3.468554e-01 1.395076e-01 3.883448e-03 4.071253e-04 0.000485 0.002166 True native_MD 7 132 182 C_AB42_14 CA_AB42_20 1 3.725355e-03 3.297878e-05 ; 4.548252e-01 1.052060e-01 2.100499e-03 2.021307e-03 0.000485 0.001339 True native_MD 7 132 185 - C_AB42_14 CB_AB42_20 1 0.000000e+00 6.331166e-06 ; 3.285630e-01 -6.331166e-06 5.002427e-03 4.561073e-03 0.000485 0.000060 True native_MD 7 132 186 + C_AB42_14 CB_AB42_20 1 0.000000e+00 6.331059e-06 ; 3.285625e-01 -6.331059e-06 5.002427e-03 4.561073e-03 0.000485 0.000060 True native_MD 7 132 186 C_AB42_14 CG_AB42_20 1 1.682205e-03 5.507471e-06 ; 3.853413e-01 1.284533e-01 2.789643e-03 1.765975e-03 0.000485 0.003309 True native_MD 7 132 187 C_AB42_14 CD1_AB42_20 1 1.365640e-03 3.588116e-06 ; 3.714682e-01 1.299410e-01 4.011838e-03 4.551999e-03 0.000485 0.003309 True native_MD 7 132 188 C_AB42_14 CD2_AB42_20 1 1.365640e-03 3.588116e-06 ; 3.714682e-01 1.299410e-01 4.011838e-03 4.551999e-03 0.000485 0.003309 True native_MD 7 132 189 @@ -30644,21 +30644,21 @@ NE2_AB42_14 O2_AB42_42 1 7.602081e-05 1.556809e-08 ; 2.427824e-01 9.280462 C_AB42_14 CE2_AB42_20 1 7.587591e-04 1.689999e-06 ; 3.613797e-01 8.516505e-02 2.057807e-03 8.916645e-03 0.000485 0.003309 True native_MD 7 132 191 C_AB42_14 CZ_AB42_20 1 9.533348e-04 2.725102e-06 ; 3.767237e-01 8.337736e-02 2.157990e-03 9.864616e-03 0.000485 0.003309 True native_MD 7 132 192 C_AB42_14 CA_AB42_21 1 2.403609e-03 1.260962e-05 ; 4.168435e-01 1.145423e-01 3.086406e-03 2.246069e-03 0.000485 0.001339 True native_MD 7 132 197 - C_AB42_14 CB_AB42_21 1 0.000000e+00 4.715335e-06 ; 3.205933e-01 -4.715335e-06 5.179249e-03 2.898237e-03 0.000485 0.000060 True native_MD 7 132 198 + C_AB42_14 CB_AB42_21 1 0.000000e+00 4.715274e-06 ; 3.205929e-01 -4.715274e-06 5.179249e-03 2.898237e-03 0.000485 0.000060 True native_MD 7 132 198 C_AB42_14 C_AB42_21 1 1.680975e-03 8.911161e-06 ; 4.175696e-01 7.927352e-02 6.402874e-04 3.972203e-07 0.000485 0.002166 True native_MD 7 132 199 C_AB42_14 N_AB42_22 1 6.905242e-04 1.404295e-06 ; 3.559425e-01 8.488667e-02 7.574033e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 132 201 C_AB42_14 CA_AB42_22 1 1.746774e-03 8.007909e-06 ; 4.075808e-01 9.525642e-02 1.032998e-03 2.281388e-04 0.000485 0.001339 True native_MD 7 132 203 - C_AB42_14 CB_AB42_22 1 0.000000e+00 6.328872e-06 ; 3.285531e-01 -6.328872e-06 1.039480e-03 2.360307e-04 0.000485 0.000060 True native_MD 7 132 204 - C_AB42_14 CG_AB42_22 1 0.000000e+00 6.330355e-06 ; 3.285595e-01 -6.330355e-06 7.428572e-04 1.734941e-04 0.000485 0.000060 True native_MD 7 132 205 + C_AB42_14 CB_AB42_22 1 0.000000e+00 6.328766e-06 ; 3.285526e-01 -6.328766e-06 1.039480e-03 2.360307e-04 0.000485 0.000060 True native_MD 7 132 204 + C_AB42_14 CG_AB42_22 1 0.000000e+00 6.330248e-06 ; 3.285590e-01 -6.330248e-06 7.428572e-04 1.734941e-04 0.000485 0.000060 True native_MD 7 132 205 C_AB42_14 CD_AB42_22 1 9.180624e-04 2.684459e-06 ; 3.781500e-01 7.849242e-02 6.254943e-04 2.873126e-04 0.000485 0.002166 True native_MD 7 132 206 - C_AB42_14 CB_AB42_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 132 214 + C_AB42_14 CB_AB42_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 132 214 C_AB42_14 CA_AB42_24 1 3.112972e-03 2.806940e-05 ; 4.562221e-01 8.630923e-02 7.903434e-04 2.648725e-04 0.000485 0.001339 True native_MD 7 132 222 - C_AB42_14 CB_AB42_24 1 0.000000e+00 1.303189e-05 ; 3.489359e-01 -1.303189e-05 2.233933e-03 7.034081e-04 0.000485 0.000060 True native_MD 7 132 223 - C_AB42_14 CG1_AB42_24 1 0.000000e+00 4.720694e-06 ; 3.206236e-01 -4.720694e-06 2.054257e-03 9.070796e-04 0.000485 0.000060 True native_MD 7 132 224 - C_AB42_14 CG2_AB42_24 1 0.000000e+00 4.716971e-06 ; 3.206025e-01 -4.716971e-06 2.371693e-03 4.366939e-04 0.000485 0.000060 True native_MD 7 132 225 + C_AB42_14 CB_AB42_24 1 0.000000e+00 1.303182e-05 ; 3.489357e-01 -1.303182e-05 2.233933e-03 7.034081e-04 0.000485 0.000060 True native_MD 7 132 223 + C_AB42_14 CG1_AB42_24 1 0.000000e+00 4.720632e-06 ; 3.206233e-01 -4.720632e-06 2.054257e-03 9.070796e-04 0.000485 0.000060 True native_MD 7 132 224 + C_AB42_14 CG2_AB42_24 1 0.000000e+00 4.716909e-06 ; 3.206022e-01 -4.716909e-06 2.371693e-03 4.366939e-04 0.000485 0.000060 True native_MD 7 132 225 C_AB42_14 CA_AB42_25 1 2.163642e-03 1.341864e-05 ; 4.286345e-01 8.721727e-02 8.121146e-04 5.072092e-04 0.000485 0.001584 True native_MD 7 132 230 C_AB42_14 CA_AB42_26 1 3.919927e-03 3.480823e-05 ; 4.550586e-01 1.103606e-01 1.623318e-03 3.983753e-04 0.000485 0.001339 True native_MD 7 132 235 - C_AB42_14 CB_AB42_26 1 0.000000e+00 6.323601e-06 ; 3.285303e-01 -6.323601e-06 1.948628e-03 3.129952e-04 0.000485 0.000060 True native_MD 7 132 236 + C_AB42_14 CB_AB42_26 1 0.000000e+00 6.323495e-06 ; 3.285298e-01 -6.323495e-06 1.948628e-03 3.129952e-04 0.000485 0.000060 True native_MD 7 132 236 C_AB42_14 OG_AB42_26 1 8.891503e-04 1.744375e-06 ; 3.538160e-01 1.133054e-01 1.772866e-03 3.636595e-04 0.000485 0.002166 True native_MD 7 132 237 C_AB42_14 CA_AB42_27 1 2.693245e-03 1.941699e-05 ; 4.395258e-01 9.339202e-02 9.769413e-04 1.442633e-04 0.000485 0.001339 True native_MD 7 132 242 C_AB42_14 CB_AB42_27 1 1.559746e-03 6.762516e-06 ; 4.038088e-01 8.993725e-02 1.446535e-03 9.804932e-05 0.000485 0.000060 True native_MD 7 132 243 @@ -30667,22 +30667,22 @@ NE2_AB42_14 O2_AB42_42 1 7.602081e-05 1.556809e-08 ; 2.427824e-01 9.280462 C_AB42_14 ND2_AB42_27 1 5.870833e-04 7.490532e-07 ; 3.293332e-01 1.150341e-01 1.866998e-03 4.425977e-04 0.000485 0.002166 True native_MD 7 132 246 C_AB42_14 O_AB42_27 1 4.329975e-04 6.473585e-07 ; 3.381504e-01 7.240455e-02 5.213163e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 132 248 C_AB42_14 CA_AB42_28 1 2.375235e-03 1.434805e-05 ; 4.267574e-01 9.830150e-02 1.131554e-03 0.000000e+00 0.000485 0.001339 True native_MD 7 132 251 - C_AB42_14 CB_AB42_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 132 252 - C_AB42_14 CG_AB42_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 132 253 - C_AB42_14 CD_AB42_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 132 254 - C_AB42_14 CE_AB42_28 1 0.000000e+00 6.333386e-06 ; 3.285726e-01 -6.333386e-06 6.950949e-04 6.043151e-04 0.000485 0.000060 True native_MD 7 132 255 + C_AB42_14 CB_AB42_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 132 252 + C_AB42_14 CG_AB42_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 132 253 + C_AB42_14 CD_AB42_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 132 254 + C_AB42_14 CE_AB42_28 1 0.000000e+00 6.333280e-06 ; 3.285721e-01 -6.333280e-06 6.950949e-04 6.043151e-04 0.000485 0.000060 True native_MD 7 132 255 C_AB42_14 C_AB42_28 1 1.605630e-03 6.814942e-06 ; 4.023798e-01 9.457334e-02 1.012096e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 132 257 C_AB42_14 O_AB42_28 1 5.048444e-04 6.404958e-07 ; 3.290232e-01 9.948070e-02 1.172198e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 132 258 C_AB42_14 N_AB42_29 1 5.214618e-04 7.270912e-07 ; 3.342420e-01 9.349666e-02 9.800053e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 132 259 C_AB42_14 CA_AB42_29 1 8.859367e-04 1.646459e-06 ; 3.506372e-01 1.191775e-01 2.113461e-03 3.389033e-04 0.000485 0.001584 True native_MD 7 132 261 C_AB42_14 C_AB42_29 1 1.164596e-03 3.719709e-06 ; 3.837564e-01 9.115518e-02 9.136859e-04 1.755116e-04 0.000485 0.002166 True native_MD 7 132 262 C_AB42_14 CA_AB42_30 1 3.200766e-03 2.237909e-05 ; 4.372852e-01 1.144473e-01 1.834495e-03 2.019365e-04 0.000485 0.001339 True native_MD 7 132 266 - C_AB42_14 CB_AB42_30 1 0.000000e+00 4.722240e-06 ; 3.206323e-01 -4.722240e-06 1.087860e-03 2.677345e-04 0.000485 0.000060 True native_MD 7 132 267 + C_AB42_14 CB_AB42_30 1 0.000000e+00 4.722178e-06 ; 3.206320e-01 -4.722178e-06 1.087860e-03 2.677345e-04 0.000485 0.000060 True native_MD 7 132 267 C_AB42_14 CA_AB42_31 1 2.711055e-03 1.915761e-05 ; 4.380602e-01 9.591250e-02 1.053480e-03 1.724900e-04 0.000485 0.001339 True native_MD 7 132 272 - C_AB42_14 CB_AB42_31 1 0.000000e+00 1.303388e-05 ; 3.489403e-01 -1.303388e-05 1.724362e-03 3.465095e-04 0.000485 0.000060 True native_MD 7 132 273 - C_AB42_14 CG1_AB42_31 1 0.000000e+00 6.327967e-06 ; 3.285492e-01 -6.327967e-06 1.335026e-03 3.886760e-04 0.000485 0.000060 True native_MD 7 132 274 - C_AB42_14 CG2_AB42_31 1 0.000000e+00 4.718956e-06 ; 3.206138e-01 -4.718956e-06 1.942380e-03 4.274363e-04 0.000485 0.000060 True native_MD 7 132 275 - C_AB42_14 CD_AB42_31 1 0.000000e+00 4.716708e-06 ; 3.206010e-01 -4.716708e-06 2.543520e-03 5.530177e-04 0.000485 0.000060 True native_MD 7 132 276 + C_AB42_14 CB_AB42_31 1 0.000000e+00 1.303381e-05 ; 3.489402e-01 -1.303381e-05 1.724362e-03 3.465095e-04 0.000485 0.000060 True native_MD 7 132 273 + C_AB42_14 CG1_AB42_31 1 0.000000e+00 6.327861e-06 ; 3.285487e-01 -6.327861e-06 1.335026e-03 3.886760e-04 0.000485 0.000060 True native_MD 7 132 274 + C_AB42_14 CG2_AB42_31 1 0.000000e+00 4.718894e-06 ; 3.206134e-01 -4.718894e-06 1.942380e-03 4.274363e-04 0.000485 0.000060 True native_MD 7 132 275 + C_AB42_14 CD_AB42_31 1 0.000000e+00 4.716647e-06 ; 3.206007e-01 -4.716647e-06 2.543520e-03 5.530177e-04 0.000485 0.000060 True native_MD 7 132 276 C_AB42_14 CA_AB42_32 1 3.028891e-03 2.016747e-05 ; 4.337385e-01 1.137250e-01 1.795266e-03 2.697052e-07 0.000485 0.001339 True native_MD 7 132 281 C_AB42_14 CB_AB42_32 1 3.076318e-03 1.821993e-05 ; 4.253560e-01 1.298541e-01 4.033557e-03 8.279760e-05 0.000485 0.000060 True native_MD 7 132 282 C_AB42_14 CG1_AB42_32 1 1.494381e-03 4.370506e-06 ; 3.781625e-01 1.277412e-01 4.254029e-03 9.302320e-05 0.000485 0.000060 True native_MD 7 132 283 @@ -30744,19 +30744,19 @@ NE2_AB42_14 O2_AB42_42 1 7.602081e-05 1.556809e-08 ; 2.427824e-01 9.280462 C_AB42_14 CG2_AB42_41 1 7.972520e-04 1.347796e-06 ; 3.451475e-01 1.178982e-01 5.785354e-03 1.698427e-04 0.000485 0.000060 True native_MD 7 132 350 C_AB42_14 CD_AB42_41 1 7.911498e-04 1.304800e-06 ; 3.437274e-01 1.199261e-01 1.042984e-02 2.881633e-04 0.000485 0.000060 True native_MD 7 132 351 C_AB42_14 CA_AB42_42 1 2.411613e-03 1.459702e-05 ; 4.269000e-01 9.960726e-02 1.176646e-03 1.978524e-04 0.000485 0.001339 True native_MD 7 132 356 - C_AB42_14 CB_AB42_42 1 0.000000e+00 4.719894e-06 ; 3.206191e-01 -4.719894e-06 1.568276e-03 2.519119e-04 0.000485 0.000060 True native_MD 7 132 357 + C_AB42_14 CB_AB42_42 1 0.000000e+00 4.719833e-06 ; 3.206187e-01 -4.719833e-06 1.568276e-03 2.519119e-04 0.000485 0.000060 True native_MD 7 132 357 O_AB42_14 O_AB42_14 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 133 O_AB42_14 H_AB42_15 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 135 - O_AB42_14 CB_AB42_15 1 0.000000e+00 2.015644e-06 ; 2.986731e-01 -2.015644e-06 9.999969e-01 9.999909e-01 0.000485 0.000060 True native_MD 4 133 137 - O_AB42_14 CG_AB42_15 1 0.000000e+00 2.140719e-06 ; 3.001753e-01 -2.140719e-06 5.564961e-01 6.185418e-01 0.000485 0.000060 True native_MD 5 133 138 - O_AB42_14 CD_AB42_15 1 0.000000e+00 7.926419e-07 ; 2.763237e-01 -7.926419e-07 6.482630e-02 2.334711e-02 0.000485 0.000060 True native_MD 6 133 139 + O_AB42_14 CB_AB42_15 1 0.000000e+00 2.015637e-06 ; 2.986730e-01 -2.015637e-06 9.999969e-01 9.999909e-01 0.000485 0.000060 True native_MD 4 133 137 + O_AB42_14 CG_AB42_15 1 0.000000e+00 2.140711e-06 ; 3.001752e-01 -2.140711e-06 5.564961e-01 6.185418e-01 0.000485 0.000060 True native_MD 5 133 138 + O_AB42_14 CD_AB42_15 1 0.000000e+00 7.926383e-07 ; 2.763236e-01 -7.926383e-07 6.482630e-02 2.334711e-02 0.000485 0.000060 True native_MD 6 133 139 O_AB42_14 OE1_AB42_15 1 0.000000e+00 1.424543e-06 ; 2.901581e-01 -1.424543e-06 8.073632e-02 3.043167e-02 0.000485 0.000060 True native_MD 7 133 140 O_AB42_14 NE2_AB42_15 1 2.461578e-04 9.524438e-08 ; 2.699423e-01 1.590478e-01 4.547323e-02 1.413396e-02 0.000485 0.002166 True native_MD 7 133 141 - O_AB42_14 C_AB42_15 1 0.000000e+00 8.233516e-07 ; 2.772004e-01 -8.233516e-07 9.998712e-01 9.955284e-01 0.000485 0.000060 True native_MD 4 133 142 + O_AB42_14 C_AB42_15 1 0.000000e+00 8.233478e-07 ; 2.772002e-01 -8.233478e-07 9.998712e-01 9.955284e-01 0.000485 0.000060 True native_MD 4 133 142 O_AB42_14 O_AB42_15 1 0.000000e+00 1.377733e-06 ; 2.893513e-01 -1.377733e-06 9.106648e-01 8.291537e-01 0.000485 0.000060 True native_MD 5 133 143 O_AB42_14 N_AB42_16 1 0.000000e+00 1.467800e-06 ; 2.908823e-01 -1.467800e-06 9.317363e-01 9.102695e-01 0.000485 0.000060 True native_MD 5 133 144 - O_AB42_14 H_AB42_16 1 0.000000e+00 1.574176e-08 ; 1.993346e-01 -1.574176e-08 1.846597e-01 1.991970e-01 0.000485 0.000060 True native_MD 6 133 145 - O_AB42_14 CA_AB42_16 1 0.000000e+00 3.718041e-06 ; 3.143073e-01 -3.718041e-06 6.893651e-01 5.845249e-01 0.000485 0.000060 True native_MD 6 133 146 + O_AB42_14 H_AB42_16 1 0.000000e+00 1.574201e-08 ; 1.993349e-01 -1.574201e-08 1.846597e-01 1.991970e-01 0.000485 0.000060 True native_MD 6 133 145 + O_AB42_14 CA_AB42_16 1 0.000000e+00 3.718071e-06 ; 3.143075e-01 -3.718071e-06 6.893651e-01 5.845249e-01 0.000485 0.000060 True native_MD 6 133 146 O_AB42_14 CB_AB42_16 1 1.318375e-03 3.545214e-06 ; 3.729070e-01 1.225675e-01 1.904968e-01 9.695822e-02 0.000485 0.001191 True native_MD 7 133 147 O_AB42_14 CG_AB42_16 1 7.630447e-04 1.101434e-06 ; 3.361771e-01 1.321544e-01 3.117875e-01 1.191130e-01 0.000485 0.001191 True native_MD 7 133 148 O_AB42_14 CD_AB42_16 1 6.717398e-04 8.268456e-07 ; 3.273688e-01 1.364325e-01 1.207056e-01 4.057202e-02 0.000485 0.001191 True native_MD 7 133 149 @@ -30766,17 +30766,17 @@ NE2_AB42_14 O2_AB42_42 1 7.602081e-05 1.556809e-08 ; 2.427824e-01 9.280462 O_AB42_14 O_AB42_16 1 0.000000e+00 1.597886e-06 ; 2.929480e-01 -1.597886e-06 5.544117e-02 1.206988e-01 0.000485 0.000060 True native_MD 7 133 153 O_AB42_14 N_AB42_17 1 1.189726e-04 4.793017e-08 ; 2.717651e-01 7.382866e-02 7.095071e-02 2.825031e-01 0.000485 0.002166 True native_MD 7 133 154 O_AB42_14 H_AB42_17 1 8.154280e-06 1.506325e-10 ; 1.625881e-01 1.103552e-01 4.460956e-02 1.461096e-01 0.000485 0.005316 True native_MD 7 133 155 - O_AB42_14 CA_AB42_17 1 0.000000e+00 4.862004e-06 ; 3.214126e-01 -4.862004e-06 6.428609e-02 2.348677e-01 0.000485 0.001339 True native_MD 7 133 156 - O_AB42_14 CB_AB42_17 1 0.000000e+00 2.265351e-06 ; 3.015942e-01 -2.265351e-06 5.833358e-02 1.822112e-01 0.000485 0.001191 True native_MD 7 133 157 - O_AB42_14 CG_AB42_17 1 0.000000e+00 4.532810e-06 ; 3.195403e-01 -4.532810e-06 5.851292e-02 1.498374e-01 0.000485 0.001191 True native_MD 7 133 158 + O_AB42_14 CA_AB42_17 1 0.000000e+00 4.862043e-06 ; 3.214128e-01 -4.862043e-06 6.428609e-02 2.348677e-01 0.000485 0.001339 True native_MD 7 133 156 + O_AB42_14 CB_AB42_17 1 0.000000e+00 2.265343e-06 ; 3.015941e-01 -2.265343e-06 5.833358e-02 1.822112e-01 0.000485 0.001191 True native_MD 7 133 157 + O_AB42_14 CG_AB42_17 1 0.000000e+00 4.532846e-06 ; 3.195405e-01 -4.532846e-06 5.851292e-02 1.498374e-01 0.000485 0.001191 True native_MD 7 133 158 O_AB42_14 CD1_AB42_17 1 0.000000e+00 1.565803e-06 ; 2.924532e-01 -1.565803e-06 2.287148e-02 6.396992e-02 0.000485 0.001191 True native_MD 7 133 159 O_AB42_14 CD2_AB42_17 1 3.236784e-04 3.132523e-07 ; 3.145068e-01 8.361285e-02 2.318102e-02 3.785391e-02 0.000485 0.001191 True native_MD 7 133 160 O_AB42_14 C_AB42_17 1 4.297080e-04 5.610089e-07 ; 3.305974e-01 8.228432e-02 2.574979e-02 7.960467e-02 0.000485 0.002166 True native_MD 7 133 161 O_AB42_14 O_AB42_17 1 0.000000e+00 1.667215e-06 ; 2.939867e-01 -1.667215e-06 3.136743e-02 1.428444e-01 0.000485 0.000060 True native_MD 7 133 162 O_AB42_14 N_AB42_18 1 0.000000e+00 1.597234e-06 ; 2.929380e-01 -1.597234e-06 1.509573e-02 7.991845e-02 0.000485 0.002166 True native_MD 7 133 163 O_AB42_14 H_AB42_18 1 3.913861e-06 3.588782e-11 ; 1.446739e-01 1.067096e-01 8.376156e-03 3.059676e-02 0.000485 0.005316 True native_MD 7 133 164 - O_AB42_14 CA_AB42_18 1 0.000000e+00 4.354866e-06 ; 3.184757e-01 -4.354866e-06 1.363482e-02 6.211725e-02 0.000485 0.001339 True native_MD 7 133 165 - O_AB42_14 CB_AB42_18 1 0.000000e+00 4.389496e-06 ; 3.186859e-01 -4.389496e-06 1.759128e-02 7.441125e-02 0.000485 0.001191 True native_MD 7 133 166 + O_AB42_14 CA_AB42_18 1 0.000000e+00 4.354901e-06 ; 3.184759e-01 -4.354901e-06 1.363482e-02 6.211725e-02 0.000485 0.001339 True native_MD 7 133 165 + O_AB42_14 CB_AB42_18 1 0.000000e+00 4.389531e-06 ; 3.186861e-01 -4.389531e-06 1.759128e-02 7.441125e-02 0.000485 0.001191 True native_MD 7 133 166 O_AB42_14 CG1_AB42_18 1 0.000000e+00 1.553304e-06 ; 2.922580e-01 -1.553304e-06 7.138258e-03 3.992615e-02 0.000485 0.001191 True native_MD 7 133 167 O_AB42_14 CG2_AB42_18 1 0.000000e+00 1.582366e-06 ; 2.927098e-01 -1.582366e-06 1.620977e-02 6.832077e-02 0.000485 0.001191 True native_MD 7 133 168 O_AB42_14 C_AB42_18 1 6.876614e-04 9.809197e-07 ; 3.355133e-01 1.205191e-01 6.810661e-03 6.705476e-03 0.000485 0.002166 True native_MD 7 133 169 @@ -30953,35 +30953,35 @@ NE2_AB42_14 O2_AB42_42 1 7.602081e-05 1.556809e-08 ; 2.427824e-01 9.280462 O_AB42_14 CB_AB42_42 1 4.449305e-04 4.615438e-07 ; 3.181658e-01 1.072288e-01 1.478089e-03 3.162614e-04 0.000485 0.001191 True native_MD 7 133 357 O_AB42_14 O1_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 359 O_AB42_14 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 360 - N_AB42_15 CB_AB42_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 134 137 - N_AB42_15 CG_AB42_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 134 138 - N_AB42_15 CD_AB42_15 1 0.000000e+00 1.504403e-06 ; 2.914800e-01 -1.504403e-06 7.655451e-01 7.630616e-01 0.000485 0.000060 True native_MD 4 134 139 + N_AB42_15 CB_AB42_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 134 137 + N_AB42_15 CG_AB42_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 134 138 + N_AB42_15 CD_AB42_15 1 0.000000e+00 1.504382e-06 ; 2.914796e-01 -1.504382e-06 7.655451e-01 7.630616e-01 0.000485 0.000060 True native_MD 4 134 139 N_AB42_15 OE1_AB42_15 1 0.000000e+00 1.385892e-06 ; 2.894937e-01 -1.385892e-06 2.153655e-01 1.392936e-01 0.000485 0.000060 True native_MD 5 134 140 - N_AB42_15 NE2_AB42_15 1 0.000000e+00 1.487516e-06 ; 2.912059e-01 -1.487516e-06 1.585425e-01 1.453205e-01 0.000485 0.000060 True native_MD 5 134 141 - N_AB42_15 CA_AB42_16 1 0.000000e+00 7.574911e-06 ; 3.335107e-01 -7.574911e-06 1.000000e+00 9.999890e-01 0.000485 0.000060 True native_MD 4 134 146 - N_AB42_15 CB_AB42_16 1 0.000000e+00 4.789616e-06 ; 3.210111e-01 -4.789616e-06 1.662950e-01 4.692083e-01 0.000485 0.000060 True native_MD 5 134 147 - N_AB42_15 CG_AB42_16 1 0.000000e+00 4.067861e-06 ; 3.166714e-01 -4.067861e-06 1.188547e-01 2.254299e-01 0.000485 0.000060 True native_MD 6 134 148 - N_AB42_15 CD_AB42_16 1 0.000000e+00 3.639385e-06 ; 3.137478e-01 -3.639385e-06 1.804857e-02 8.066046e-03 0.000485 0.000060 True native_MD 7 134 149 - N_AB42_15 CE_AB42_16 1 0.000000e+00 3.661531e-06 ; 3.139064e-01 -3.661531e-06 7.439087e-03 3.480803e-03 0.000485 0.000060 True native_MD 7 134 150 + N_AB42_15 NE2_AB42_15 1 0.000000e+00 1.487512e-06 ; 2.912058e-01 -1.487512e-06 1.585425e-01 1.453205e-01 0.000485 0.000060 True native_MD 5 134 141 + N_AB42_15 CA_AB42_16 1 0.000000e+00 7.574900e-06 ; 3.335107e-01 -7.574900e-06 1.000000e+00 9.999890e-01 0.000485 0.000060 True native_MD 4 134 146 + N_AB42_15 CB_AB42_16 1 0.000000e+00 4.789553e-06 ; 3.210108e-01 -4.789553e-06 1.662950e-01 4.692083e-01 0.000485 0.000060 True native_MD 5 134 147 + N_AB42_15 CG_AB42_16 1 0.000000e+00 4.067807e-06 ; 3.166711e-01 -4.067807e-06 1.188547e-01 2.254299e-01 0.000485 0.000060 True native_MD 6 134 148 + N_AB42_15 CD_AB42_16 1 0.000000e+00 3.639337e-06 ; 3.137474e-01 -3.639337e-06 1.804857e-02 8.066046e-03 0.000485 0.000060 True native_MD 7 134 149 + N_AB42_15 CE_AB42_16 1 0.000000e+00 3.661483e-06 ; 3.139061e-01 -3.661483e-06 7.439087e-03 3.480803e-03 0.000485 0.000060 True native_MD 7 134 150 N_AB42_15 NZ_AB42_16 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 4.674254e-04 2.189709e-03 0.000485 0.000060 True native_MD 7 134 151 - N_AB42_15 C_AB42_16 1 0.000000e+00 1.598814e-06 ; 2.929621e-01 -1.598814e-06 4.095787e-02 1.010746e-01 0.000485 0.000060 True native_MD 5 134 152 + N_AB42_15 C_AB42_16 1 0.000000e+00 1.598791e-06 ; 2.929618e-01 -1.598791e-06 4.095787e-02 1.010746e-01 0.000485 0.000060 True native_MD 5 134 152 N_AB42_15 O_AB42_16 1 0.000000e+00 1.619376e-06 ; 2.932743e-01 -1.619376e-06 4.680543e-02 1.263894e-01 0.000485 0.000060 True native_MD 6 134 153 - N_AB42_15 N_AB42_17 1 0.000000e+00 9.628241e-07 ; 2.808389e-01 -9.628241e-07 2.817253e-02 1.281733e-01 0.000485 0.000060 True native_MD 6 134 154 - N_AB42_15 CA_AB42_17 1 0.000000e+00 7.849728e-06 ; 3.345026e-01 -7.849728e-06 1.815752e-02 5.442597e-02 0.000485 0.001339 True native_MD 7 134 156 - N_AB42_15 CB_AB42_17 1 0.000000e+00 3.689312e-06 ; 3.141042e-01 -3.689312e-06 9.623576e-03 1.322273e-02 0.000485 0.000060 True native_MD 7 134 157 - N_AB42_15 CG_AB42_17 1 0.000000e+00 7.561752e-06 ; 3.334624e-01 -7.561752e-06 2.370651e-02 2.195834e-02 0.000485 0.000060 True native_MD 7 134 158 - N_AB42_15 CD1_AB42_17 1 0.000000e+00 2.744175e-06 ; 3.064521e-01 -2.744175e-06 4.114764e-03 4.570222e-03 0.000485 0.000060 True native_MD 7 134 159 - N_AB42_15 CD2_AB42_17 1 0.000000e+00 2.733526e-06 ; 3.063529e-01 -2.733526e-06 5.930701e-03 2.503827e-03 0.000485 0.000060 True native_MD 7 134 160 + N_AB42_15 N_AB42_17 1 0.000000e+00 9.628140e-07 ; 2.808386e-01 -9.628140e-07 2.817253e-02 1.281733e-01 0.000485 0.000060 True native_MD 6 134 154 + N_AB42_15 CA_AB42_17 1 0.000000e+00 7.849716e-06 ; 3.345026e-01 -7.849716e-06 1.815752e-02 5.442597e-02 0.000485 0.001339 True native_MD 7 134 156 + N_AB42_15 CB_AB42_17 1 0.000000e+00 3.689264e-06 ; 3.141039e-01 -3.689264e-06 9.623576e-03 1.322273e-02 0.000485 0.000060 True native_MD 7 134 157 + N_AB42_15 CG_AB42_17 1 0.000000e+00 7.561741e-06 ; 3.334624e-01 -7.561741e-06 2.370651e-02 2.195834e-02 0.000485 0.000060 True native_MD 7 134 158 + N_AB42_15 CD1_AB42_17 1 0.000000e+00 2.744149e-06 ; 3.064519e-01 -2.744149e-06 4.114764e-03 4.570222e-03 0.000485 0.000060 True native_MD 7 134 159 + N_AB42_15 CD2_AB42_17 1 0.000000e+00 2.733501e-06 ; 3.063526e-01 -2.733501e-06 5.930701e-03 2.503827e-03 0.000485 0.000060 True native_MD 7 134 160 N_AB42_15 O_AB42_17 1 2.740365e-04 2.672443e-07 ; 3.149078e-01 7.025032e-02 5.895287e-03 2.612630e-02 0.000485 0.002166 True native_MD 7 134 162 N_AB42_15 N_AB42_18 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 7.854497e-05 2.069298e-04 0.000485 0.000060 True native_MD 7 134 163 - N_AB42_15 CA_AB42_18 1 0.000000e+00 7.585541e-06 ; 3.335497e-01 -7.585541e-06 6.811016e-04 2.073375e-03 0.000485 0.001339 True native_MD 7 134 165 - N_AB42_15 CB_AB42_18 1 0.000000e+00 7.632037e-06 ; 3.337196e-01 -7.632037e-06 4.477096e-03 1.200740e-02 0.000485 0.000060 True native_MD 7 134 166 - N_AB42_15 CG1_AB42_18 1 0.000000e+00 2.763607e-06 ; 3.066324e-01 -2.763607e-06 2.465616e-03 1.000549e-02 0.000485 0.000060 True native_MD 7 134 167 - N_AB42_15 CG2_AB42_18 1 0.000000e+00 2.796881e-06 ; 3.069384e-01 -2.796881e-06 7.047550e-03 2.671801e-02 0.000485 0.000060 True native_MD 7 134 168 + N_AB42_15 CA_AB42_18 1 0.000000e+00 7.585529e-06 ; 3.335497e-01 -7.585529e-06 6.811016e-04 2.073375e-03 0.000485 0.001339 True native_MD 7 134 165 + N_AB42_15 CB_AB42_18 1 0.000000e+00 7.632025e-06 ; 3.337195e-01 -7.632025e-06 4.477096e-03 1.200740e-02 0.000485 0.000060 True native_MD 7 134 166 + N_AB42_15 CG1_AB42_18 1 0.000000e+00 2.763581e-06 ; 3.066322e-01 -2.763581e-06 2.465616e-03 1.000549e-02 0.000485 0.000060 True native_MD 7 134 167 + N_AB42_15 CG2_AB42_18 1 0.000000e+00 2.796854e-06 ; 3.069381e-01 -2.796854e-06 7.047550e-03 2.671801e-02 0.000485 0.000060 True native_MD 7 134 168 N_AB42_15 O_AB42_18 1 0.000000e+00 1.508099e-06 ; 2.915395e-01 -1.508099e-06 1.128678e-03 6.527715e-03 0.000485 0.002166 True native_MD 7 134 170 N_AB42_15 N_AB42_19 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 3.703628e-04 6.565319e-06 0.000485 0.000060 True native_MD 7 134 171 N_AB42_15 CA_AB42_19 1 4.959146e-03 4.180081e-05 ; 4.511244e-01 1.470852e-01 4.871931e-03 4.801971e-04 0.000485 0.001339 True native_MD 7 134 173 - N_AB42_15 CB_AB42_19 1 0.000000e+00 3.656627e-06 ; 3.138714e-01 -3.656627e-06 6.611391e-03 1.319262e-03 0.000485 0.000060 True native_MD 7 134 174 + N_AB42_15 CB_AB42_19 1 0.000000e+00 3.656579e-06 ; 3.138710e-01 -3.656579e-06 6.611391e-03 1.319262e-03 0.000485 0.000060 True native_MD 7 134 174 N_AB42_15 CG_AB42_19 1 8.904493e-04 2.811443e-06 ; 3.830187e-01 7.050648e-02 4.925301e-04 3.382601e-04 0.000485 0.003309 True native_MD 7 134 175 N_AB42_15 CD1_AB42_19 1 8.226289e-04 1.388459e-06 ; 3.450549e-01 1.218470e-01 2.289227e-03 2.021468e-03 0.000485 0.003309 True native_MD 7 134 176 N_AB42_15 CD2_AB42_19 1 8.226289e-04 1.388459e-06 ; 3.450549e-01 1.218470e-01 2.289227e-03 2.021468e-03 0.000485 0.003309 True native_MD 7 134 177 @@ -30992,7 +30992,7 @@ NE2_AB42_14 O2_AB42_42 1 7.602081e-05 1.556809e-08 ; 2.427824e-01 9.280462 N_AB42_15 O_AB42_19 1 4.543440e-04 3.286308e-07 ; 2.996083e-01 1.570368e-01 6.562026e-03 2.847449e-04 0.000485 0.002166 True native_MD 7 134 182 N_AB42_15 N_AB42_20 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 134 183 N_AB42_15 CA_AB42_20 1 2.501402e-03 1.860923e-05 ; 4.418323e-01 8.405793e-02 7.388501e-04 3.583554e-04 0.000485 0.001339 True native_MD 7 134 185 - N_AB42_15 CB_AB42_20 1 0.000000e+00 3.672594e-06 ; 3.139854e-01 -3.672594e-06 2.053992e-03 1.105226e-03 0.000485 0.000060 True native_MD 7 134 186 + N_AB42_15 CB_AB42_20 1 0.000000e+00 3.672546e-06 ; 3.139850e-01 -3.672546e-06 2.053992e-03 1.105226e-03 0.000485 0.000060 True native_MD 7 134 186 N_AB42_15 CD1_AB42_20 1 3.691482e-04 3.895541e-07 ; 3.190763e-01 8.745280e-02 8.178590e-04 1.314770e-03 0.000485 0.003309 True native_MD 7 134 188 N_AB42_15 CD2_AB42_20 1 3.691482e-04 3.895541e-07 ; 3.190763e-01 8.745280e-02 8.178590e-04 1.314770e-03 0.000485 0.003309 True native_MD 7 134 189 N_AB42_15 CE1_AB42_20 1 4.772878e-04 6.522522e-07 ; 3.331240e-01 8.731425e-02 8.562356e-04 3.479082e-03 0.000485 0.003309 True native_MD 7 134 190 @@ -31000,18 +31000,18 @@ NE2_AB42_14 O2_AB42_42 1 7.602081e-05 1.556809e-08 ; 2.427824e-01 9.280462 N_AB42_15 CZ_AB42_20 1 8.168635e-04 1.902079e-06 ; 3.640658e-01 8.770220e-02 1.077911e-03 4.329246e-03 0.000485 0.003309 True native_MD 7 134 192 N_AB42_15 N_AB42_21 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 4.016834e-05 0.000000e+00 0.000485 0.000060 True native_MD 7 134 195 N_AB42_15 CA_AB42_21 1 3.092640e-03 2.254214e-05 ; 4.403294e-01 1.060727e-01 1.427823e-03 6.566167e-04 0.000485 0.001339 True native_MD 7 134 197 - N_AB42_15 CB_AB42_21 1 0.000000e+00 2.739535e-06 ; 3.064089e-01 -2.739535e-06 2.685924e-03 1.449724e-03 0.000485 0.000060 True native_MD 7 134 198 + N_AB42_15 CB_AB42_21 1 0.000000e+00 2.739509e-06 ; 3.064087e-01 -2.739509e-06 2.685924e-03 1.449724e-03 0.000485 0.000060 True native_MD 7 134 198 N_AB42_15 N_AB42_22 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 134 201 - N_AB42_15 CB_AB42_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 134 204 - N_AB42_15 CG_AB42_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 134 205 + N_AB42_15 CB_AB42_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 134 204 + N_AB42_15 CG_AB42_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 134 205 N_AB42_15 OE1_AB42_22 1 6.002282e-05 1.209380e-08 ; 2.421258e-01 7.447495e-02 5.546380e-04 3.516981e-04 0.000485 0.002166 True native_MD 7 134 207 N_AB42_15 OE2_AB42_22 1 6.002282e-05 1.209380e-08 ; 2.421258e-01 7.447495e-02 5.546380e-04 3.516981e-04 0.000485 0.002166 True native_MD 7 134 208 N_AB42_15 N_AB42_23 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 134 211 - N_AB42_15 CB_AB42_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 134 214 + N_AB42_15 CB_AB42_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 134 214 N_AB42_15 N_AB42_24 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 134 220 - N_AB42_15 CB_AB42_24 1 0.000000e+00 7.569439e-06 ; 3.334906e-01 -7.569439e-06 1.158438e-03 4.249877e-04 0.000485 0.000060 True native_MD 7 134 223 - N_AB42_15 CG1_AB42_24 1 0.000000e+00 2.741422e-06 ; 3.064265e-01 -2.741422e-06 1.159467e-03 6.112753e-04 0.000485 0.000060 True native_MD 7 134 224 - N_AB42_15 CG2_AB42_24 1 0.000000e+00 2.740065e-06 ; 3.064139e-01 -2.740065e-06 1.325706e-03 2.827559e-04 0.000485 0.000060 True native_MD 7 134 225 + N_AB42_15 CB_AB42_24 1 0.000000e+00 7.569427e-06 ; 3.334906e-01 -7.569427e-06 1.158438e-03 4.249877e-04 0.000485 0.000060 True native_MD 7 134 223 + N_AB42_15 CG1_AB42_24 1 0.000000e+00 2.741397e-06 ; 3.064263e-01 -2.741397e-06 1.159467e-03 6.112753e-04 0.000485 0.000060 True native_MD 7 134 224 + N_AB42_15 CG2_AB42_24 1 0.000000e+00 2.740040e-06 ; 3.064136e-01 -2.740040e-06 1.325706e-03 2.827559e-04 0.000485 0.000060 True native_MD 7 134 225 N_AB42_15 O_AB42_24 1 6.714499e-05 1.514370e-08 ; 2.467193e-01 7.442783e-02 5.538564e-04 4.756713e-05 0.000485 0.002166 True native_MD 7 134 227 N_AB42_15 N_AB42_25 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 8.275502e-05 4.464931e-05 0.000485 0.000060 True native_MD 7 134 228 N_AB42_15 CA_AB42_25 1 1.304238e-03 5.651430e-06 ; 4.037696e-01 7.524811e-02 5.676205e-04 2.512225e-04 0.000485 0.001584 True native_MD 7 134 230 @@ -31029,10 +31029,10 @@ NE2_AB42_14 O2_AB42_42 1 7.602081e-05 1.556809e-08 ; 2.427824e-01 9.280462 N_AB42_15 O_AB42_27 1 1.716614e-04 8.062922e-08 ; 2.788068e-01 9.136776e-02 9.195170e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 134 248 N_AB42_15 N_AB42_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 134 249 N_AB42_15 CA_AB42_28 1 2.275746e-03 1.258365e-05 ; 4.205140e-01 1.028919e-01 1.298180e-03 0.000000e+00 0.000485 0.001339 True native_MD 7 134 251 - N_AB42_15 CB_AB42_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 134 252 - N_AB42_15 CG_AB42_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 134 253 - N_AB42_15 CD_AB42_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 134 254 - N_AB42_15 CE_AB42_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 134 255 + N_AB42_15 CB_AB42_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 134 252 + N_AB42_15 CG_AB42_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 134 253 + N_AB42_15 CD_AB42_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 134 254 + N_AB42_15 CE_AB42_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 134 255 N_AB42_15 NZ_AB42_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 6.850597e-05 1.000680e-04 0.000485 0.000060 True native_MD 7 134 256 N_AB42_15 C_AB42_28 1 6.523402e-04 1.104234e-06 ; 3.452215e-01 9.634460e-02 1.067191e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 134 257 N_AB42_15 O_AB42_28 1 1.228395e-04 3.431480e-08 ; 2.556764e-01 1.099347e-01 1.602758e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 134 258 @@ -31042,12 +31042,12 @@ NE2_AB42_14 O2_AB42_42 1 7.602081e-05 1.556809e-08 ; 2.427824e-01 9.280462 N_AB42_15 O_AB42_29 1 2.412196e-04 1.413201e-07 ; 2.892668e-01 1.029345e-01 1.299838e-03 5.000291e-05 0.000485 0.002166 True native_MD 7 134 263 N_AB42_15 N_AB42_30 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 3.626428e-05 0.000000e+00 0.000485 0.000060 True native_MD 7 134 264 N_AB42_15 CA_AB42_30 1 2.854464e-03 2.029736e-05 ; 4.385164e-01 1.003575e-01 1.203361e-03 1.990262e-04 0.000485 0.001339 True native_MD 7 134 266 - N_AB42_15 CB_AB42_30 1 0.000000e+00 2.741306e-06 ; 3.064254e-01 -2.741306e-06 7.731359e-04 1.824842e-04 0.000485 0.000060 True native_MD 7 134 267 + N_AB42_15 CB_AB42_30 1 0.000000e+00 2.741280e-06 ; 3.064252e-01 -2.741280e-06 7.731359e-04 1.824842e-04 0.000485 0.000060 True native_MD 7 134 267 N_AB42_15 N_AB42_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 9.383158e-05 0.000000e+00 0.000485 0.000060 True native_MD 7 134 270 - N_AB42_15 CB_AB42_31 1 0.000000e+00 7.571394e-06 ; 3.334978e-01 -7.571394e-06 5.580837e-04 8.271968e-05 0.000485 0.000060 True native_MD 7 134 273 - N_AB42_15 CG1_AB42_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 134 274 - N_AB42_15 CG2_AB42_31 1 0.000000e+00 2.740405e-06 ; 3.064170e-01 -2.740405e-06 1.201169e-03 2.818572e-04 0.000485 0.000060 True native_MD 7 134 275 - N_AB42_15 CD_AB42_31 1 0.000000e+00 2.740612e-06 ; 3.064190e-01 -2.740612e-06 1.099711e-03 2.562018e-04 0.000485 0.000060 True native_MD 7 134 276 + N_AB42_15 CB_AB42_31 1 0.000000e+00 7.571382e-06 ; 3.334978e-01 -7.571382e-06 5.580837e-04 8.271968e-05 0.000485 0.000060 True native_MD 7 134 273 + N_AB42_15 CG1_AB42_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 134 274 + N_AB42_15 CG2_AB42_31 1 0.000000e+00 2.740379e-06 ; 3.064168e-01 -2.740379e-06 1.201169e-03 2.818572e-04 0.000485 0.000060 True native_MD 7 134 275 + N_AB42_15 CD_AB42_31 1 0.000000e+00 2.740587e-06 ; 3.064187e-01 -2.740587e-06 1.099711e-03 2.562018e-04 0.000485 0.000060 True native_MD 7 134 276 N_AB42_15 N_AB42_32 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 3.514067e-06 0.000000e+00 0.000485 0.000060 True native_MD 7 134 279 N_AB42_15 CA_AB42_32 1 2.231711e-03 1.491311e-05 ; 4.339986e-01 8.349254e-02 7.264542e-04 1.470395e-05 0.000485 0.001339 True native_MD 7 134 281 N_AB42_15 CB_AB42_32 1 2.283944e-03 1.300355e-05 ; 4.225675e-01 1.002879e-01 1.826611e-03 9.083163e-05 0.000485 0.000060 True native_MD 7 134 282 @@ -31113,8 +31113,8 @@ NE2_AB42_14 O2_AB42_42 1 7.602081e-05 1.556809e-08 ; 2.427824e-01 9.280462 N_AB42_15 CA_AB42_42 1 1.152084e-03 4.003686e-06 ; 3.891909e-01 8.287969e-02 7.132523e-04 1.107396e-04 0.000485 0.001339 True native_MD 7 134 356 N_AB42_15 CB_AB42_42 1 7.091029e-04 1.654651e-06 ; 3.641941e-01 7.597176e-02 9.711148e-04 9.997490e-05 0.000485 0.000060 True native_MD 7 134 357 H_AB42_15 H_AB42_15 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 135 135 - H_AB42_15 OE1_AB42_15 1 0.000000e+00 1.536374e-08 ; 1.989313e-01 -1.536374e-08 1.323864e-02 3.412587e-03 0.000485 0.000060 True native_MD 6 135 140 - H_AB42_15 O_AB42_15 1 0.000000e+00 1.126896e-08 ; 1.938587e-01 -1.126896e-08 5.006212e-01 2.268917e-01 0.000485 0.000060 True native_MD 4 135 143 + H_AB42_15 OE1_AB42_15 1 0.000000e+00 1.536398e-08 ; 1.989315e-01 -1.536398e-08 1.323864e-02 3.412587e-03 0.000485 0.000060 True native_MD 6 135 140 + H_AB42_15 O_AB42_15 1 0.000000e+00 1.126914e-08 ; 1.938590e-01 -1.126914e-08 5.006212e-01 2.268917e-01 0.000485 0.000060 True native_MD 4 135 143 H_AB42_15 H_AB42_16 1 0.000000e+00 1.756155e-08 ; 2.011601e-01 -1.756155e-08 1.683327e-01 6.317953e-01 0.000485 0.000060 True native_MD 5 135 145 H_AB42_15 O_AB42_16 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 135 153 H_AB42_15 H_AB42_17 1 0.000000e+00 1.215023e-08 ; 1.950789e-01 -1.215023e-08 6.031381e-04 1.312191e-02 0.000485 0.000060 True native_MD 7 135 155 @@ -31176,30 +31176,30 @@ NE2_AB42_14 O2_AB42_42 1 7.602081e-05 1.556809e-08 ; 2.427824e-01 9.280462 H_AB42_15 H_AB42_42 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 135 355 H_AB42_15 O1_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 135 359 H_AB42_15 O2_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 135 360 - CA_AB42_15 OE1_AB42_15 1 0.000000e+00 4.128724e-06 ; 3.170636e-01 -4.128724e-06 9.993525e-01 9.933888e-01 0.000485 0.000060 True native_MD 4 136 140 - CA_AB42_15 NE2_AB42_15 1 0.000000e+00 1.304570e-05 ; 3.489667e-01 -1.304570e-05 9.999990e-01 9.999913e-01 0.000485 0.000060 True native_MD 4 136 141 - CA_AB42_15 CB_AB42_16 1 0.000000e+00 3.181365e-05 ; 3.758773e-01 -3.181365e-05 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 136 147 - CA_AB42_15 CG_AB42_16 1 0.000000e+00 3.394205e-05 ; 3.779113e-01 -3.394205e-05 7.851247e-01 8.520267e-01 0.000485 0.000060 True native_MD 5 136 148 - CA_AB42_15 CD_AB42_16 1 0.000000e+00 3.193219e-05 ; 3.759938e-01 -3.193219e-05 2.773280e-01 2.810540e-01 0.000485 0.000060 True native_MD 6 136 149 + CA_AB42_15 OE1_AB42_15 1 0.000000e+00 4.128757e-06 ; 3.170638e-01 -4.128757e-06 9.993525e-01 9.933888e-01 0.000485 0.000060 True native_MD 4 136 140 + CA_AB42_15 NE2_AB42_15 1 0.000000e+00 1.304577e-05 ; 3.489668e-01 -1.304577e-05 9.999990e-01 9.999913e-01 0.000485 0.000060 True native_MD 4 136 141 + CA_AB42_15 CB_AB42_16 1 0.000000e+00 3.181352e-05 ; 3.758772e-01 -3.181352e-05 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 136 147 + CA_AB42_15 CG_AB42_16 1 0.000000e+00 3.394191e-05 ; 3.779111e-01 -3.394191e-05 7.851247e-01 8.520267e-01 0.000485 0.000060 True native_MD 5 136 148 + CA_AB42_15 CD_AB42_16 1 0.000000e+00 3.193206e-05 ; 3.759937e-01 -3.193206e-05 2.773280e-01 2.810540e-01 0.000485 0.000060 True native_MD 6 136 149 CA_AB42_15 CE_AB42_16 1 5.413246e-03 7.575860e-05 ; 4.909030e-01 9.669936e-02 8.408070e-02 7.958624e-02 0.000485 0.001021 True native_MD 7 136 150 CA_AB42_15 NZ_AB42_16 1 3.051117e-03 2.308324e-05 ; 4.430707e-01 1.008233e-01 2.307527e-02 2.531763e-02 0.000485 0.001339 True native_MD 7 136 151 - CA_AB42_15 C_AB42_16 1 0.000000e+00 1.305202e-05 ; 3.489807e-01 -1.305202e-05 9.999884e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 136 152 - CA_AB42_15 O_AB42_16 1 0.000000e+00 2.415529e-06 ; 3.032117e-01 -2.415529e-06 7.182345e-01 2.998000e-01 0.000485 0.000060 True native_MD 5 136 153 - CA_AB42_15 N_AB42_17 1 0.000000e+00 9.491368e-06 ; 3.398384e-01 -9.491368e-06 5.048600e-01 7.578468e-01 0.000485 0.000060 True native_MD 5 136 154 - CA_AB42_15 CA_AB42_17 1 0.000000e+00 8.017146e-05 ; 4.059725e-01 -8.017146e-05 5.198264e-01 7.427774e-01 0.000485 0.000060 True native_MD 6 136 156 + CA_AB42_15 C_AB42_16 1 0.000000e+00 1.305195e-05 ; 3.489806e-01 -1.305195e-05 9.999884e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 136 152 + CA_AB42_15 O_AB42_16 1 0.000000e+00 2.415548e-06 ; 3.032119e-01 -2.415548e-06 7.182345e-01 2.998000e-01 0.000485 0.000060 True native_MD 5 136 153 + CA_AB42_15 N_AB42_17 1 0.000000e+00 9.491354e-06 ; 3.398383e-01 -9.491354e-06 5.048600e-01 7.578468e-01 0.000485 0.000060 True native_MD 5 136 154 + CA_AB42_15 CA_AB42_17 1 0.000000e+00 8.017205e-05 ; 4.059728e-01 -8.017205e-05 5.198264e-01 7.427774e-01 0.000485 0.000060 True native_MD 6 136 156 CA_AB42_15 CB_AB42_17 1 4.732614e-03 7.380963e-05 ; 4.998450e-01 7.586286e-02 1.768471e-01 3.122804e-01 0.000485 0.001021 True native_MD 7 136 157 CA_AB42_15 CG_AB42_17 1 3.879348e-03 4.093896e-05 ; 4.683419e-01 9.190111e-02 2.878843e-01 2.719577e-01 0.000485 0.000883 True native_MD 7 136 158 CA_AB42_15 CD1_AB42_17 1 4.143191e-03 3.398775e-05 ; 4.490878e-01 1.262663e-01 8.188590e-02 6.056138e-02 0.000485 0.001932 True native_MD 7 136 159 CA_AB42_15 CD2_AB42_17 1 4.895732e-03 3.771767e-05 ; 4.444141e-01 1.588658e-01 1.769760e-01 4.934189e-02 0.000485 0.001932 True native_MD 7 136 160 - CA_AB42_15 C_AB42_17 1 0.000000e+00 1.433126e-05 ; 3.517105e-01 -1.433126e-05 3.634407e-02 1.343677e-01 0.000485 0.001339 True native_MD 7 136 161 - CA_AB42_15 O_AB42_17 1 0.000000e+00 4.660588e-06 ; 3.202814e-01 -4.660588e-06 3.866631e-02 1.607547e-01 0.000485 0.001339 True native_MD 7 136 162 - CA_AB42_15 N_AB42_18 1 0.000000e+00 8.287957e-06 ; 3.360204e-01 -8.287957e-06 1.906601e-02 1.131865e-01 0.000485 0.001339 True native_MD 7 136 163 - CA_AB42_15 CA_AB42_18 1 0.000000e+00 7.431675e-05 ; 4.034152e-01 -7.431675e-05 3.816239e-02 1.718045e-01 0.000485 0.000883 True native_MD 7 136 165 - CA_AB42_15 CB_AB42_18 1 0.000000e+00 7.433142e-05 ; 4.034218e-01 -7.433142e-05 4.214584e-02 1.760118e-01 0.000485 0.000883 True native_MD 7 136 166 + CA_AB42_15 C_AB42_17 1 0.000000e+00 1.433118e-05 ; 3.517104e-01 -1.433118e-05 3.634407e-02 1.343677e-01 0.000485 0.001339 True native_MD 7 136 161 + CA_AB42_15 O_AB42_17 1 0.000000e+00 4.660625e-06 ; 3.202816e-01 -4.660625e-06 3.866631e-02 1.607547e-01 0.000485 0.001339 True native_MD 7 136 162 + CA_AB42_15 N_AB42_18 1 0.000000e+00 8.287944e-06 ; 3.360203e-01 -8.287944e-06 1.906601e-02 1.131865e-01 0.000485 0.001339 True native_MD 7 136 163 + CA_AB42_15 CA_AB42_18 1 0.000000e+00 7.431729e-05 ; 4.034154e-01 -7.431729e-05 3.816239e-02 1.718045e-01 0.000485 0.000883 True native_MD 7 136 165 + CA_AB42_15 CB_AB42_18 1 0.000000e+00 7.433197e-05 ; 4.034221e-01 -7.433197e-05 4.214584e-02 1.760118e-01 0.000485 0.000883 True native_MD 7 136 166 CA_AB42_15 CG1_AB42_18 1 1.098150e-03 4.301833e-06 ; 3.970379e-01 7.008251e-02 2.055125e-02 8.166327e-02 0.000485 0.001932 True native_MD 7 136 167 CA_AB42_15 CG2_AB42_18 1 9.129392e-04 2.966442e-06 ; 3.848567e-01 7.024053e-02 3.669899e-02 1.451406e-01 0.000485 0.001932 True native_MD 7 136 168 - CA_AB42_15 C_AB42_18 1 0.000000e+00 1.329937e-05 ; 3.495272e-01 -1.329937e-05 6.815503e-03 2.577861e-02 0.000485 0.001339 True native_MD 7 136 169 - CA_AB42_15 O_AB42_18 1 0.000000e+00 4.265112e-06 ; 3.179234e-01 -4.265112e-06 5.852033e-03 3.272514e-02 0.000485 0.001339 True native_MD 7 136 170 + CA_AB42_15 C_AB42_18 1 0.000000e+00 1.329930e-05 ; 3.495270e-01 -1.329930e-05 6.815503e-03 2.577861e-02 0.000485 0.001339 True native_MD 7 136 169 + CA_AB42_15 O_AB42_18 1 0.000000e+00 4.265146e-06 ; 3.179236e-01 -4.265146e-06 5.852033e-03 3.272514e-02 0.000485 0.001339 True native_MD 7 136 170 CA_AB42_15 N_AB42_19 1 2.585272e-03 1.517706e-05 ; 4.247306e-01 1.100943e-01 1.270993e-02 1.056641e-02 0.000485 0.001339 True native_MD 7 136 171 CA_AB42_15 CA_AB42_19 1 3.667446e-03 3.658596e-05 ; 4.639720e-01 9.190790e-02 3.302965e-02 3.119601e-02 0.000485 0.000883 True native_MD 7 136 173 CA_AB42_15 CB_AB42_19 1 2.029211e-03 9.147995e-06 ; 4.064431e-01 1.125300e-01 4.307304e-02 2.538643e-02 0.000485 0.001021 True native_MD 7 136 174 @@ -31357,36 +31357,36 @@ NE2_AB42_14 O2_AB42_42 1 7.602081e-05 1.556809e-08 ; 2.427824e-01 9.280462 CA_AB42_15 CA_AB42_42 1 3.358534e-03 1.886290e-05 ; 4.216089e-01 1.494965e-01 5.236485e-03 6.730062e-04 0.000485 0.000883 True native_MD 7 136 356 CA_AB42_15 CB_AB42_42 1 2.019867e-03 7.082474e-06 ; 3.897718e-01 1.440126e-01 4.443936e-03 6.890346e-04 0.000485 0.001932 True native_MD 7 136 357 CA_AB42_15 C_AB42_42 1 1.259541e-03 5.567767e-06 ; 4.051148e-01 7.123339e-02 5.033616e-04 3.684888e-04 0.000485 0.001339 True native_MD 7 136 358 - CB_AB42_15 CD_AB42_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 139 + CB_AB42_15 CD_AB42_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 139 CB_AB42_15 OE1_AB42_15 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 140 - CB_AB42_15 NE2_AB42_15 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 141 - CB_AB42_15 C_AB42_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 142 + CB_AB42_15 NE2_AB42_15 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 141 + CB_AB42_15 C_AB42_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 142 CB_AB42_15 O_AB42_15 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 143 - CB_AB42_15 N_AB42_16 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 144 - CB_AB42_15 CA_AB42_16 1 0.000000e+00 3.181365e-05 ; 3.758773e-01 -3.181365e-05 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 137 146 - CB_AB42_15 CB_AB42_16 1 0.000000e+00 1.706944e-05 ; 3.568727e-01 -1.706944e-05 5.378012e-01 6.434135e-01 0.000485 0.000060 True native_MD 5 137 147 - CB_AB42_15 CG_AB42_16 1 0.000000e+00 1.934407e-05 ; 3.606124e-01 -1.934407e-05 1.382663e-01 3.912097e-01 0.000485 0.000060 True native_MD 6 137 148 + CB_AB42_15 N_AB42_16 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 144 + CB_AB42_15 CA_AB42_16 1 0.000000e+00 3.181352e-05 ; 3.758772e-01 -3.181352e-05 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 137 146 + CB_AB42_15 CB_AB42_16 1 0.000000e+00 1.706917e-05 ; 3.568722e-01 -1.706917e-05 5.378012e-01 6.434135e-01 0.000485 0.000060 True native_MD 5 137 147 + CB_AB42_15 CG_AB42_16 1 0.000000e+00 1.934376e-05 ; 3.606119e-01 -1.934376e-05 1.382663e-01 3.912097e-01 0.000485 0.000060 True native_MD 6 137 148 CB_AB42_15 CD_AB42_16 1 2.151335e-03 1.558039e-05 ; 4.398572e-01 7.426393e-02 3.650532e-02 7.883519e-02 0.000485 0.001190 True native_MD 7 137 149 - CB_AB42_15 CE_AB42_16 1 0.000000e+00 1.589936e-05 ; 3.547671e-01 -1.589936e-05 1.491989e-02 4.474446e-02 0.000485 0.001190 True native_MD 7 137 150 - CB_AB42_15 NZ_AB42_16 1 0.000000e+00 3.752327e-06 ; 3.145479e-01 -3.752327e-06 3.050530e-03 2.379150e-02 0.000485 0.000060 True native_MD 7 137 151 - CB_AB42_15 C_AB42_16 1 0.000000e+00 3.661242e-06 ; 3.139044e-01 -3.661242e-06 7.055254e-01 2.835590e-01 0.000485 0.000060 True native_MD 5 137 152 - CB_AB42_15 O_AB42_16 1 0.000000e+00 1.452382e-06 ; 2.906264e-01 -1.452382e-06 3.290138e-01 4.956444e-02 0.000485 0.000060 True native_MD 6 137 153 - CB_AB42_15 N_AB42_17 1 0.000000e+00 3.948596e-06 ; 3.158871e-01 -3.948596e-06 1.372809e-01 2.114127e-01 0.000485 0.000060 True native_MD 6 137 154 + CB_AB42_15 CE_AB42_16 1 0.000000e+00 1.589911e-05 ; 3.547666e-01 -1.589911e-05 1.491989e-02 4.474446e-02 0.000485 0.001190 True native_MD 7 137 150 + CB_AB42_15 NZ_AB42_16 1 0.000000e+00 3.752278e-06 ; 3.145475e-01 -3.752278e-06 3.050530e-03 2.379150e-02 0.000485 0.000060 True native_MD 7 137 151 + CB_AB42_15 C_AB42_16 1 0.000000e+00 3.661181e-06 ; 3.139039e-01 -3.661181e-06 7.055254e-01 2.835590e-01 0.000485 0.000060 True native_MD 5 137 152 + CB_AB42_15 O_AB42_16 1 0.000000e+00 1.452377e-06 ; 2.906263e-01 -1.452377e-06 3.290138e-01 4.956444e-02 0.000485 0.000060 True native_MD 6 137 153 + CB_AB42_15 N_AB42_17 1 0.000000e+00 3.948544e-06 ; 3.158868e-01 -3.948544e-06 1.372809e-01 2.114127e-01 0.000485 0.000060 True native_MD 6 137 154 CB_AB42_15 CA_AB42_17 1 4.646974e-03 5.871265e-05 ; 4.826070e-01 9.194936e-02 2.028971e-01 2.213868e-01 0.000485 0.001021 True native_MD 7 137 156 CB_AB42_15 CB_AB42_17 1 2.462060e-03 1.672127e-05 ; 4.351728e-01 9.062915e-02 1.056379e-01 1.397946e-01 0.000485 0.001190 True native_MD 7 137 157 CB_AB42_15 CG_AB42_17 1 1.589054e-03 5.602887e-06 ; 3.901326e-01 1.126693e-01 2.153620e-01 1.264024e-01 0.000485 0.001021 True native_MD 7 137 158 CB_AB42_15 CD1_AB42_17 1 1.479214e-03 3.888032e-06 ; 3.714923e-01 1.406929e-01 9.237469e-02 5.353723e-02 0.000485 0.002332 True native_MD 7 137 159 CB_AB42_15 CD2_AB42_17 1 1.808017e-03 4.394705e-06 ; 3.666805e-01 1.859582e-01 1.793574e-01 2.682408e-02 0.000485 0.002332 True native_MD 7 137 160 - CB_AB42_15 C_AB42_17 1 0.000000e+00 6.579215e-06 ; 3.296169e-01 -6.579215e-06 2.361827e-02 6.233876e-02 0.000485 0.000060 True native_MD 7 137 161 + CB_AB42_15 C_AB42_17 1 0.000000e+00 6.579105e-06 ; 3.296165e-01 -6.579105e-06 2.361827e-02 6.233876e-02 0.000485 0.000060 True native_MD 7 137 161 CB_AB42_15 O_AB42_17 1 4.123713e-04 5.873122e-07 ; 3.354260e-01 7.238486e-02 3.395565e-02 7.759194e-02 0.000485 0.001191 True native_MD 7 137 162 - CB_AB42_15 N_AB42_18 1 0.000000e+00 3.759442e-06 ; 3.145975e-01 -3.759442e-06 7.828512e-03 3.050487e-02 0.000485 0.000060 True native_MD 7 137 163 - CB_AB42_15 CA_AB42_18 1 0.000000e+00 3.297364e-05 ; 3.770008e-01 -3.297364e-05 2.773745e-02 6.419946e-02 0.000485 0.001021 True native_MD 7 137 165 - CB_AB42_15 CB_AB42_18 1 0.000000e+00 3.340557e-05 ; 3.774099e-01 -3.340557e-05 3.439976e-02 8.443845e-02 0.000485 0.001021 True native_MD 7 137 166 + CB_AB42_15 N_AB42_18 1 0.000000e+00 3.759392e-06 ; 3.145972e-01 -3.759392e-06 7.828512e-03 3.050487e-02 0.000485 0.000060 True native_MD 7 137 163 + CB_AB42_15 CA_AB42_18 1 0.000000e+00 3.297350e-05 ; 3.770006e-01 -3.297350e-05 2.773745e-02 6.419946e-02 0.000485 0.001021 True native_MD 7 137 165 + CB_AB42_15 CB_AB42_18 1 0.000000e+00 3.340542e-05 ; 3.774097e-01 -3.340542e-05 3.439976e-02 8.443845e-02 0.000485 0.001021 True native_MD 7 137 166 CB_AB42_15 CG1_AB42_18 1 8.131729e-04 1.779126e-06 ; 3.603053e-01 9.291786e-02 1.872232e-02 4.532929e-02 0.000485 0.002332 True native_MD 7 137 167 CB_AB42_15 CG2_AB42_18 1 6.102565e-04 1.040586e-06 ; 3.456429e-01 8.947193e-02 3.111233e-02 8.350977e-02 0.000485 0.002332 True native_MD 7 137 168 - CB_AB42_15 C_AB42_18 1 0.000000e+00 6.350134e-06 ; 3.286449e-01 -6.350134e-06 5.603384e-03 8.156755e-03 0.000485 0.000060 True native_MD 7 137 169 - CB_AB42_15 O_AB42_18 1 0.000000e+00 2.034261e-06 ; 2.989021e-01 -2.034261e-06 5.071487e-03 1.430182e-02 0.000485 0.001191 True native_MD 7 137 170 - CB_AB42_15 N_AB42_19 1 0.000000e+00 3.666092e-06 ; 3.139390e-01 -3.666092e-06 4.461723e-03 1.744285e-03 0.000485 0.000060 True native_MD 7 137 171 + CB_AB42_15 C_AB42_18 1 0.000000e+00 6.350027e-06 ; 3.286444e-01 -6.350027e-06 5.603384e-03 8.156755e-03 0.000485 0.000060 True native_MD 7 137 169 + CB_AB42_15 O_AB42_18 1 0.000000e+00 2.034254e-06 ; 2.989020e-01 -2.034254e-06 5.071487e-03 1.430182e-02 0.000485 0.001191 True native_MD 7 137 170 + CB_AB42_15 N_AB42_19 1 0.000000e+00 3.666044e-06 ; 3.139387e-01 -3.666044e-06 4.461723e-03 1.744285e-03 0.000485 0.000060 True native_MD 7 137 171 CB_AB42_15 CA_AB42_19 1 4.007090e-03 3.309178e-05 ; 4.495885e-01 1.213048e-01 2.825673e-02 1.280780e-02 0.000485 0.001021 True native_MD 7 137 173 CB_AB42_15 CB_AB42_19 1 1.644834e-03 5.129688e-06 ; 3.822330e-01 1.318540e-01 3.813899e-02 1.469787e-02 0.000485 0.001190 True native_MD 7 137 174 CB_AB42_15 CG_AB42_19 1 1.975591e-03 6.070610e-06 ; 3.812904e-01 1.607318e-01 2.562152e-02 8.152704e-03 0.000485 0.002332 True native_MD 7 137 175 @@ -31395,9 +31395,9 @@ NE2_AB42_14 O2_AB42_42 1 7.602081e-05 1.556809e-08 ; 2.427824e-01 9.280462 CB_AB42_15 CE1_AB42_19 1 9.454155e-04 2.008256e-06 ; 3.585360e-01 1.112670e-01 2.197021e-02 3.071912e-02 0.000485 0.002332 True native_MD 7 137 178 CB_AB42_15 CE2_AB42_19 1 9.454155e-04 2.008256e-06 ; 3.585360e-01 1.112670e-01 2.197021e-02 3.071912e-02 0.000485 0.002332 True native_MD 7 137 179 CB_AB42_15 CZ_AB42_19 1 1.104345e-03 2.950523e-06 ; 3.725052e-01 1.033357e-01 1.851030e-02 3.281473e-02 0.000485 0.002332 True native_MD 7 137 180 - CB_AB42_15 C_AB42_19 1 0.000000e+00 6.295282e-06 ; 3.284074e-01 -6.295282e-06 7.467279e-03 1.360632e-03 0.000485 0.000060 True native_MD 7 137 181 + CB_AB42_15 C_AB42_19 1 0.000000e+00 6.295176e-06 ; 3.284069e-01 -6.295176e-06 7.467279e-03 1.360632e-03 0.000485 0.000060 True native_MD 7 137 181 CB_AB42_15 O_AB42_19 1 7.015966e-04 7.581806e-07 ; 3.203422e-01 1.623089e-01 9.937518e-03 1.539820e-03 0.000485 0.001191 True native_MD 7 137 182 - CB_AB42_15 N_AB42_20 1 0.000000e+00 3.673597e-06 ; 3.139925e-01 -3.673597e-06 1.347854e-03 6.718941e-04 0.000485 0.000060 True native_MD 7 137 183 + CB_AB42_15 N_AB42_20 1 0.000000e+00 3.673548e-06 ; 3.139922e-01 -3.673548e-06 1.347854e-03 6.718941e-04 0.000485 0.000060 True native_MD 7 137 183 CB_AB42_15 CA_AB42_20 1 4.267767e-03 3.737691e-05 ; 4.540118e-01 1.218254e-01 1.010433e-02 4.509146e-03 0.000485 0.001021 True native_MD 7 137 185 CB_AB42_15 CB_AB42_20 1 1.043969e-03 2.603396e-06 ; 3.682494e-01 1.046587e-01 7.718520e-03 6.712239e-03 0.000485 0.001190 True native_MD 7 137 186 CB_AB42_15 CG_AB42_20 1 1.513269e-03 4.217923e-06 ; 3.751432e-01 1.357293e-01 5.185273e-03 3.486724e-03 0.000485 0.002332 True native_MD 7 137 187 @@ -31406,53 +31406,53 @@ NE2_AB42_14 O2_AB42_42 1 7.602081e-05 1.556809e-08 ; 2.427824e-01 9.280462 CB_AB42_15 CE1_AB42_20 1 1.155123e-03 3.272785e-06 ; 3.761677e-01 1.019246e-01 8.133565e-03 1.504097e-02 0.000485 0.002332 True native_MD 7 137 190 CB_AB42_15 CE2_AB42_20 1 1.155123e-03 3.272785e-06 ; 3.761677e-01 1.019246e-01 8.133565e-03 1.504097e-02 0.000485 0.002332 True native_MD 7 137 191 CB_AB42_15 CZ_AB42_20 1 9.256499e-04 2.149731e-06 ; 3.639063e-01 9.964359e-02 9.497487e-03 1.880395e-02 0.000485 0.002332 True native_MD 7 137 192 - CB_AB42_15 C_AB42_20 1 0.000000e+00 6.328704e-06 ; 3.285523e-01 -6.328704e-06 2.047873e-03 1.217853e-03 0.000485 0.000060 True native_MD 7 137 193 + CB_AB42_15 C_AB42_20 1 0.000000e+00 6.328597e-06 ; 3.285519e-01 -6.328597e-06 2.047873e-03 1.217853e-03 0.000485 0.000060 True native_MD 7 137 193 CB_AB42_15 O_AB42_20 1 5.562665e-04 7.149920e-07 ; 3.297385e-01 1.081944e-01 1.521421e-03 1.150161e-03 0.000485 0.001191 True native_MD 7 137 194 CB_AB42_15 N_AB42_21 1 1.143647e-03 4.105056e-06 ; 3.912952e-01 7.965351e-02 6.333087e-03 5.839630e-04 0.000485 0.000060 True native_MD 7 137 195 CB_AB42_15 CA_AB42_21 1 3.012112e-03 1.904925e-05 ; 4.300324e-01 1.190705e-01 1.300813e-02 6.303852e-03 0.000485 0.001021 True native_MD 7 137 197 CB_AB42_15 CB_AB42_21 1 8.907316e-04 1.425157e-06 ; 3.419946e-01 1.391782e-01 1.266917e-02 7.683122e-03 0.000485 0.002332 True native_MD 7 137 198 - CB_AB42_15 C_AB42_21 1 0.000000e+00 6.330351e-06 ; 3.285595e-01 -6.330351e-06 1.082495e-03 5.124714e-04 0.000485 0.000060 True native_MD 7 137 199 + CB_AB42_15 C_AB42_21 1 0.000000e+00 6.330244e-06 ; 3.285590e-01 -6.330244e-06 1.082495e-03 5.124714e-04 0.000485 0.000060 True native_MD 7 137 199 CB_AB42_15 O_AB42_21 1 5.570841e-04 1.014600e-06 ; 3.494586e-01 7.646919e-02 5.887461e-04 5.272055e-04 0.000485 0.001191 True native_MD 7 137 200 CB_AB42_15 N_AB42_22 1 9.132278e-04 2.842401e-06 ; 3.821065e-01 7.335215e-02 9.915115e-04 1.103988e-04 0.000485 0.000060 True native_MD 7 137 201 CB_AB42_15 CA_AB42_22 1 4.222128e-03 3.705608e-05 ; 4.541730e-01 1.202661e-01 2.183445e-03 7.702775e-04 0.000485 0.001021 True native_MD 7 137 203 CB_AB42_15 CB_AB42_22 1 1.804619e-03 6.710715e-06 ; 3.936080e-01 1.213228e-01 2.253590e-03 8.210054e-04 0.000485 0.001190 True native_MD 7 137 204 CB_AB42_15 CG_AB42_22 1 1.393733e-03 4.278049e-06 ; 3.812218e-01 1.135150e-01 2.442511e-03 1.629551e-03 0.000485 0.001190 True native_MD 7 137 205 - CB_AB42_15 CD_AB42_22 1 0.000000e+00 6.336331e-06 ; 3.285853e-01 -6.336331e-06 1.634414e-03 2.008589e-03 0.000485 0.000060 True native_MD 7 137 206 - CB_AB42_15 OE1_AB42_22 1 0.000000e+00 1.631738e-06 ; 2.934602e-01 -1.631738e-06 1.220818e-03 1.273225e-03 0.000485 0.000060 True native_MD 7 137 207 - CB_AB42_15 OE2_AB42_22 1 0.000000e+00 1.631738e-06 ; 2.934602e-01 -1.631738e-06 1.220818e-03 1.273225e-03 0.000485 0.000060 True native_MD 7 137 208 - CB_AB42_15 C_AB42_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 209 + CB_AB42_15 CD_AB42_22 1 0.000000e+00 6.336225e-06 ; 3.285849e-01 -6.336225e-06 1.634414e-03 2.008589e-03 0.000485 0.000060 True native_MD 7 137 206 + CB_AB42_15 OE1_AB42_22 1 0.000000e+00 1.631732e-06 ; 2.934601e-01 -1.631732e-06 1.220818e-03 1.273225e-03 0.000485 0.000060 True native_MD 7 137 207 + CB_AB42_15 OE2_AB42_22 1 0.000000e+00 1.631732e-06 ; 2.934601e-01 -1.631732e-06 1.220818e-03 1.273225e-03 0.000485 0.000060 True native_MD 7 137 208 + CB_AB42_15 C_AB42_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 209 CB_AB42_15 O_AB42_22 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 1.377595e-04 2.885798e-04 0.000485 0.001191 True native_MD 7 137 210 - CB_AB42_15 N_AB42_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 211 + CB_AB42_15 N_AB42_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 211 CB_AB42_15 CA_AB42_23 1 3.620176e-03 4.385317e-05 ; 4.792313e-01 7.471338e-02 5.586096e-04 4.310960e-04 0.000485 0.001021 True native_MD 7 137 213 CB_AB42_15 CB_AB42_23 1 1.918336e-03 8.763899e-06 ; 4.073447e-01 1.049765e-01 1.381746e-03 8.231179e-04 0.000485 0.001190 True native_MD 7 137 214 - CB_AB42_15 CG_AB42_23 1 0.000000e+00 6.333933e-06 ; 3.285750e-01 -6.333933e-06 8.658442e-04 8.614808e-04 0.000485 0.000060 True native_MD 7 137 215 - CB_AB42_15 OD1_AB42_23 1 0.000000e+00 1.631504e-06 ; 2.934567e-01 -1.631504e-06 7.254972e-04 6.347599e-04 0.000485 0.000060 True native_MD 7 137 216 - CB_AB42_15 OD2_AB42_23 1 0.000000e+00 1.631504e-06 ; 2.934567e-01 -1.631504e-06 7.254972e-04 6.347599e-04 0.000485 0.000060 True native_MD 7 137 217 - CB_AB42_15 C_AB42_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 218 + CB_AB42_15 CG_AB42_23 1 0.000000e+00 6.333827e-06 ; 3.285745e-01 -6.333827e-06 8.658442e-04 8.614808e-04 0.000485 0.000060 True native_MD 7 137 215 + CB_AB42_15 OD1_AB42_23 1 0.000000e+00 1.631498e-06 ; 2.934566e-01 -1.631498e-06 7.254972e-04 6.347599e-04 0.000485 0.000060 True native_MD 7 137 216 + CB_AB42_15 OD2_AB42_23 1 0.000000e+00 1.631498e-06 ; 2.934566e-01 -1.631498e-06 7.254972e-04 6.347599e-04 0.000485 0.000060 True native_MD 7 137 217 + CB_AB42_15 C_AB42_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 218 CB_AB42_15 O_AB42_23 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 1.927794e-04 1.496439e-04 0.000485 0.001191 True native_MD 7 137 219 - CB_AB42_15 N_AB42_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 220 + CB_AB42_15 N_AB42_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 220 CB_AB42_15 CA_AB42_24 1 3.664059e-03 2.870938e-05 ; 4.456667e-01 1.169072e-01 1.974636e-03 8.154277e-04 0.000485 0.001021 True native_MD 7 137 222 CB_AB42_15 CB_AB42_24 1 2.662307e-03 1.448192e-05 ; 4.193674e-01 1.223573e-01 4.097456e-03 1.799649e-03 0.000485 0.001021 True native_MD 7 137 223 CB_AB42_15 CG1_AB42_24 1 1.149474e-03 2.449518e-06 ; 3.587266e-01 1.348521e-01 3.378398e-03 1.797690e-03 0.000485 0.002332 True native_MD 7 137 224 CB_AB42_15 CG2_AB42_24 1 1.380204e-03 3.519389e-06 ; 3.696187e-01 1.353192e-01 3.425962e-03 1.353187e-03 0.000485 0.002332 True native_MD 7 137 225 - CB_AB42_15 C_AB42_24 1 0.000000e+00 6.330593e-06 ; 3.285605e-01 -6.330593e-06 6.511405e-04 1.194516e-04 0.000485 0.000060 True native_MD 7 137 226 + CB_AB42_15 C_AB42_24 1 0.000000e+00 6.330487e-06 ; 3.285601e-01 -6.330487e-06 6.511405e-04 1.194516e-04 0.000485 0.000060 True native_MD 7 137 226 CB_AB42_15 O_AB42_24 1 2.115849e-04 1.490763e-07 ; 2.983005e-01 7.507593e-02 5.647033e-04 1.499990e-04 0.000485 0.001191 True native_MD 7 137 227 - CB_AB42_15 N_AB42_25 1 0.000000e+00 3.674161e-06 ; 3.139965e-01 -3.674161e-06 7.225793e-04 2.000911e-04 0.000485 0.000060 True native_MD 7 137 228 + CB_AB42_15 N_AB42_25 1 0.000000e+00 3.674113e-06 ; 3.139962e-01 -3.674113e-06 7.225793e-04 2.000911e-04 0.000485 0.000060 True native_MD 7 137 228 CB_AB42_15 CA_AB42_25 1 1.310724e-03 3.846130e-06 ; 3.783718e-01 1.116706e-01 1.688218e-03 1.170057e-03 0.000485 0.001190 True native_MD 7 137 230 - CB_AB42_15 C_AB42_25 1 0.000000e+00 6.329757e-06 ; 3.285569e-01 -6.329757e-06 1.015790e-03 3.521014e-04 0.000485 0.000060 True native_MD 7 137 231 + CB_AB42_15 C_AB42_25 1 0.000000e+00 6.329651e-06 ; 3.285564e-01 -6.329651e-06 1.015790e-03 3.521014e-04 0.000485 0.000060 True native_MD 7 137 231 CB_AB42_15 O_AB42_25 1 2.918862e-04 2.345095e-07 ; 3.049003e-01 9.082524e-02 9.047088e-04 5.683441e-04 0.000485 0.001191 True native_MD 7 137 232 - CB_AB42_15 N_AB42_26 1 0.000000e+00 3.674388e-06 ; 3.139981e-01 -3.674388e-06 6.232040e-04 1.625363e-04 0.000485 0.000060 True native_MD 7 137 233 + CB_AB42_15 N_AB42_26 1 0.000000e+00 3.674340e-06 ; 3.139978e-01 -3.674340e-06 6.232040e-04 1.625363e-04 0.000485 0.000060 True native_MD 7 137 233 CB_AB42_15 CA_AB42_26 1 3.078250e-03 1.726615e-05 ; 4.215171e-01 1.371995e-01 4.740749e-03 1.335433e-03 0.000485 0.001021 True native_MD 7 137 235 CB_AB42_15 CB_AB42_26 1 2.185869e-03 7.702463e-06 ; 3.900925e-01 1.550810e-01 6.596909e-03 1.268678e-03 0.000485 0.001190 True native_MD 7 137 236 - CB_AB42_15 OG_AB42_26 1 0.000000e+00 2.770709e-06 ; 3.066980e-01 -2.770709e-06 5.356675e-03 7.594645e-04 0.000485 0.000060 True native_MD 7 137 237 - CB_AB42_15 C_AB42_26 1 0.000000e+00 6.328444e-06 ; 3.285512e-01 -6.328444e-06 1.269399e-03 3.983505e-04 0.000485 0.000060 True native_MD 7 137 238 + CB_AB42_15 OG_AB42_26 1 0.000000e+00 2.770668e-06 ; 3.066976e-01 -2.770668e-06 5.356675e-03 7.594645e-04 0.000485 0.000060 True native_MD 7 137 237 + CB_AB42_15 C_AB42_26 1 0.000000e+00 6.328338e-06 ; 3.285508e-01 -6.328338e-06 1.269399e-03 3.983505e-04 0.000485 0.000060 True native_MD 7 137 238 CB_AB42_15 O_AB42_26 1 3.866144e-04 3.584558e-07 ; 3.122671e-01 1.042462e-01 1.351877e-03 5.880304e-04 0.000485 0.001191 True native_MD 7 137 239 - CB_AB42_15 N_AB42_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 240 + CB_AB42_15 N_AB42_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 240 CB_AB42_15 CA_AB42_27 1 4.435445e-03 3.500352e-05 ; 4.461995e-01 1.405086e-01 4.001532e-03 3.715808e-04 0.000485 0.001021 True native_MD 7 137 242 CB_AB42_15 CB_AB42_27 1 2.569996e-03 1.188081e-05 ; 4.081492e-01 1.389820e-01 3.822843e-03 5.758804e-04 0.000485 0.001190 True native_MD 7 137 243 - CB_AB42_15 CG_AB42_27 1 0.000000e+00 6.318320e-06 ; 3.285074e-01 -6.318320e-06 3.010723e-03 5.413282e-04 0.000485 0.000060 True native_MD 7 137 244 + CB_AB42_15 CG_AB42_27 1 0.000000e+00 6.318214e-06 ; 3.285069e-01 -6.318214e-06 3.010723e-03 5.413282e-04 0.000485 0.000060 True native_MD 7 137 244 CB_AB42_15 OD1_AB42_27 1 6.302647e-04 8.327017e-07 ; 3.312540e-01 1.192605e-01 2.118712e-03 2.493489e-04 0.000485 0.001191 True native_MD 7 137 245 - CB_AB42_15 ND2_AB42_27 1 0.000000e+00 6.315431e-06 ; 3.284949e-01 -6.315431e-06 3.430654e-03 9.689511e-04 0.000485 0.000060 True native_MD 7 137 246 + CB_AB42_15 ND2_AB42_27 1 0.000000e+00 6.315395e-06 ; 3.284947e-01 -6.315395e-06 3.430654e-03 9.689511e-04 0.000485 0.000060 True native_MD 7 137 246 CB_AB42_15 C_AB42_27 1 1.716925e-03 5.756124e-06 ; 3.868683e-01 1.280301e-01 2.754537e-03 5.002026e-05 0.000485 0.000060 True native_MD 7 137 247 CB_AB42_15 O_AB42_27 1 6.311005e-04 7.782571e-07 ; 3.274694e-01 1.279423e-01 2.747302e-03 1.000608e-04 0.000485 0.001191 True native_MD 7 137 248 CB_AB42_15 N_AB42_28 1 1.515820e-03 5.949033e-06 ; 3.971609e-01 9.655815e-02 1.074033e-03 0.000000e+00 0.000485 0.000060 True native_MD 7 137 249 @@ -31461,7 +31461,7 @@ NE2_AB42_14 O2_AB42_42 1 7.602081e-05 1.556809e-08 ; 2.427824e-01 9.280462 CB_AB42_15 CG_AB42_28 1 1.692307e-03 6.967074e-06 ; 4.003396e-01 1.027656e-01 1.293285e-03 5.658600e-04 0.000485 0.001190 True native_MD 7 137 253 CB_AB42_15 CD_AB42_28 1 1.327011e-03 4.491244e-06 ; 3.874795e-01 9.802171e-02 1.122119e-03 7.934451e-04 0.000485 0.001190 True native_MD 7 137 254 CB_AB42_15 CE_AB42_28 1 1.805023e-03 7.154320e-06 ; 3.978148e-01 1.138511e-01 1.802057e-03 1.071353e-03 0.000485 0.001190 True native_MD 7 137 255 - CB_AB42_15 NZ_AB42_28 1 0.000000e+00 3.673456e-06 ; 3.139915e-01 -3.673456e-06 1.227997e-03 5.137664e-04 0.000485 0.000060 True native_MD 7 137 256 + CB_AB42_15 NZ_AB42_28 1 0.000000e+00 3.673408e-06 ; 3.139912e-01 -3.673408e-06 1.227997e-03 5.137664e-04 0.000485 0.000060 True native_MD 7 137 256 CB_AB42_15 C_AB42_28 1 1.545339e-03 6.524876e-06 ; 4.020296e-01 9.149883e-02 3.217704e-03 2.081452e-04 0.000485 0.000060 True native_MD 7 137 257 CB_AB42_15 O_AB42_28 1 6.516261e-04 8.304316e-07 ; 3.292690e-01 1.278301e-01 2.738096e-03 1.016903e-04 0.000485 0.001191 True native_MD 7 137 258 CB_AB42_15 N_AB42_29 1 6.836323e-04 1.503958e-06 ; 3.606358e-01 7.768721e-02 1.819967e-03 1.779872e-04 0.000485 0.000060 True native_MD 7 137 259 @@ -31549,39 +31549,39 @@ NE2_AB42_14 O2_AB42_42 1 7.602081e-05 1.556809e-08 ; 2.427824e-01 9.280462 CB_AB42_15 N_AB42_42 1 1.132962e-03 2.633706e-06 ; 3.639642e-01 1.218438e-01 2.289003e-03 2.837206e-05 0.000485 0.000060 True native_MD 7 137 354 CB_AB42_15 CA_AB42_42 1 1.647495e-03 4.831058e-06 ; 3.783290e-01 1.404578e-01 3.995462e-03 7.264256e-04 0.000485 0.001021 True native_MD 7 137 356 CB_AB42_15 CB_AB42_42 1 1.365186e-03 3.337624e-06 ; 3.670351e-01 1.396002e-01 3.894217e-03 4.691312e-04 0.000485 0.002332 True native_MD 7 137 357 - CB_AB42_15 C_AB42_42 1 0.000000e+00 6.331843e-06 ; 3.285659e-01 -6.331843e-06 8.144780e-04 4.801394e-04 0.000485 0.000060 True native_MD 7 137 358 - CB_AB42_15 O1_AB42_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 359 - CB_AB42_15 O2_AB42_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 360 - CG_AB42_15 CD_AB42_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 139 + CB_AB42_15 C_AB42_42 1 0.000000e+00 6.331737e-06 ; 3.285655e-01 -6.331737e-06 8.144780e-04 4.801394e-04 0.000485 0.000060 True native_MD 7 137 358 + CB_AB42_15 O1_AB42_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 359 + CB_AB42_15 O2_AB42_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 360 + CG_AB42_15 CD_AB42_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 139 CG_AB42_15 OE1_AB42_15 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 140 - CG_AB42_15 NE2_AB42_15 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 141 - CG_AB42_15 C_AB42_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 142 - CG_AB42_15 O_AB42_15 1 0.000000e+00 2.012441e-06 ; 2.986336e-01 -2.012441e-06 9.639250e-01 9.623301e-01 0.000485 0.000060 True native_MD 4 138 143 - CG_AB42_15 N_AB42_16 1 0.000000e+00 3.655249e-06 ; 3.138615e-01 -3.655249e-06 9.840276e-01 9.783605e-01 0.000485 0.000060 True native_MD 4 138 144 - CG_AB42_15 CA_AB42_16 1 0.000000e+00 2.853660e-05 ; 3.724876e-01 -2.853660e-05 7.885276e-01 6.855198e-01 0.000485 0.000060 True native_MD 5 138 146 - CG_AB42_15 CB_AB42_16 1 0.000000e+00 1.515069e-05 ; 3.533440e-01 -1.515069e-05 1.657641e-01 1.470963e-01 0.000485 0.000060 True native_MD 6 138 147 + CG_AB42_15 NE2_AB42_15 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 141 + CG_AB42_15 C_AB42_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 142 + CG_AB42_15 O_AB42_15 1 0.000000e+00 2.012434e-06 ; 2.986335e-01 -2.012434e-06 9.639250e-01 9.623301e-01 0.000485 0.000060 True native_MD 4 138 143 + CG_AB42_15 N_AB42_16 1 0.000000e+00 3.655201e-06 ; 3.138612e-01 -3.655201e-06 9.840276e-01 9.783605e-01 0.000485 0.000060 True native_MD 4 138 144 + CG_AB42_15 CA_AB42_16 1 0.000000e+00 2.853648e-05 ; 3.724875e-01 -2.853648e-05 7.885276e-01 6.855198e-01 0.000485 0.000060 True native_MD 5 138 146 + CG_AB42_15 CB_AB42_16 1 0.000000e+00 1.515045e-05 ; 3.533435e-01 -1.515045e-05 1.657641e-01 1.470963e-01 0.000485 0.000060 True native_MD 6 138 147 CG_AB42_15 CG_AB42_16 1 1.039525e-03 3.848109e-06 ; 3.933104e-01 7.020406e-02 5.072003e-02 1.236825e-01 0.000485 0.001190 True native_MD 7 138 148 CG_AB42_15 CD_AB42_16 1 1.609484e-03 8.633596e-06 ; 4.183928e-01 7.501044e-02 2.407313e-02 5.083869e-02 0.000485 0.001190 True native_MD 7 138 149 CG_AB42_15 CE_AB42_16 1 1.689419e-03 9.639595e-06 ; 4.227208e-01 7.402118e-02 1.716925e-02 3.734825e-02 0.000485 0.001190 True native_MD 7 138 150 - CG_AB42_15 NZ_AB42_16 1 0.000000e+00 3.723735e-06 ; 3.143474e-01 -3.723735e-06 4.970248e-03 1.793344e-02 0.000485 0.000060 True native_MD 7 138 151 - CG_AB42_15 C_AB42_16 1 0.000000e+00 4.986527e-06 ; 3.220907e-01 -4.986527e-06 2.981605e-01 8.542884e-02 0.000485 0.000060 True native_MD 6 138 152 + CG_AB42_15 NZ_AB42_16 1 0.000000e+00 3.723686e-06 ; 3.143471e-01 -3.723686e-06 4.970248e-03 1.793344e-02 0.000485 0.000060 True native_MD 7 138 151 + CG_AB42_15 C_AB42_16 1 0.000000e+00 4.986443e-06 ; 3.220902e-01 -4.986443e-06 2.981605e-01 8.542884e-02 0.000485 0.000060 True native_MD 6 138 152 CG_AB42_15 O_AB42_16 1 8.836698e-04 1.185492e-06 ; 3.320994e-01 1.646726e-01 2.038221e-01 2.942545e-02 0.000485 0.001191 True native_MD 7 138 153 - CG_AB42_15 N_AB42_17 1 0.000000e+00 3.501301e-06 ; 3.127381e-01 -3.501301e-06 1.166398e-01 6.909452e-02 0.000485 0.000060 True native_MD 7 138 154 + CG_AB42_15 N_AB42_17 1 0.000000e+00 3.501255e-06 ; 3.127378e-01 -3.501255e-06 1.166398e-01 6.909452e-02 0.000485 0.000060 True native_MD 7 138 154 CG_AB42_15 CA_AB42_17 1 3.361636e-03 2.398163e-05 ; 4.387543e-01 1.178047e-01 2.006192e-01 1.009753e-01 0.000485 0.001021 True native_MD 7 138 156 CG_AB42_15 CB_AB42_17 1 1.475246e-03 4.934885e-06 ; 3.867249e-01 1.102533e-01 1.094673e-01 8.052044e-02 0.000485 0.001190 True native_MD 7 138 157 CG_AB42_15 CG_AB42_17 1 1.994011e-03 8.130233e-06 ; 3.996955e-01 1.222622e-01 2.179444e-01 9.599655e-02 0.000485 0.001021 True native_MD 7 138 158 CG_AB42_15 CD1_AB42_17 1 2.030550e-03 7.084075e-06 ; 3.894439e-01 1.455071e-01 1.025915e-01 5.148083e-02 0.000485 0.002332 True native_MD 7 138 159 CG_AB42_15 CD2_AB42_17 1 1.719590e-03 3.905929e-06 ; 3.625628e-01 1.892628e-01 1.729650e-01 2.343227e-02 0.000485 0.002332 True native_MD 7 138 160 - CG_AB42_15 C_AB42_17 1 0.000000e+00 6.341681e-06 ; 3.286084e-01 -6.341681e-06 3.933638e-02 4.055516e-02 0.000485 0.000060 True native_MD 7 138 161 + CG_AB42_15 C_AB42_17 1 0.000000e+00 6.341574e-06 ; 3.286080e-01 -6.341574e-06 3.933638e-02 4.055516e-02 0.000485 0.000060 True native_MD 7 138 161 CG_AB42_15 O_AB42_17 1 3.017615e-04 2.417728e-07 ; 3.047595e-01 9.415862e-02 3.970886e-02 4.729397e-02 0.000485 0.001191 True native_MD 7 138 162 - CG_AB42_15 N_AB42_18 1 0.000000e+00 3.684359e-06 ; 3.140691e-01 -3.684359e-06 1.026395e-02 1.251551e-02 0.000485 0.000060 True native_MD 7 138 163 + CG_AB42_15 N_AB42_18 1 0.000000e+00 3.684310e-06 ; 3.140687e-01 -3.684310e-06 1.026395e-02 1.251551e-02 0.000485 0.000060 True native_MD 7 138 163 CG_AB42_15 CA_AB42_18 1 1.887626e-03 1.007706e-05 ; 4.180578e-01 8.839709e-02 2.910808e-02 3.532296e-02 0.000485 0.001021 True native_MD 7 138 165 CG_AB42_15 CB_AB42_18 1 1.832650e-03 1.013021e-05 ; 4.204908e-01 8.288582e-02 3.554729e-02 5.087192e-02 0.000485 0.001021 True native_MD 7 138 166 CG_AB42_15 CG1_AB42_18 1 1.187271e-03 3.468646e-06 ; 3.780956e-01 1.015968e-01 1.637941e-02 3.058583e-02 0.000485 0.002332 True native_MD 7 138 167 CG_AB42_15 CG2_AB42_18 1 1.014712e-03 2.472881e-06 ; 3.668400e-01 1.040933e-01 3.025157e-02 5.242324e-02 0.000485 0.002332 True native_MD 7 138 168 - CG_AB42_15 C_AB42_18 1 0.000000e+00 6.321127e-06 ; 3.285195e-01 -6.321127e-06 6.898378e-03 4.872227e-03 0.000485 0.000060 True native_MD 7 138 169 + CG_AB42_15 C_AB42_18 1 0.000000e+00 6.321021e-06 ; 3.285191e-01 -6.321021e-06 6.898378e-03 4.872227e-03 0.000485 0.000060 True native_MD 7 138 169 CG_AB42_15 O_AB42_18 1 3.005999e-04 2.460592e-07 ; 3.058500e-01 9.180747e-02 6.073939e-03 7.761504e-03 0.000485 0.001191 True native_MD 7 138 170 - CG_AB42_15 N_AB42_19 1 0.000000e+00 3.664136e-06 ; 3.139250e-01 -3.664136e-06 4.947211e-03 1.697525e-03 0.000485 0.000060 True native_MD 7 138 171 + CG_AB42_15 N_AB42_19 1 0.000000e+00 3.664087e-06 ; 3.139247e-01 -3.664087e-06 4.947211e-03 1.697525e-03 0.000485 0.000060 True native_MD 7 138 171 CG_AB42_15 CA_AB42_19 1 3.739506e-03 2.806605e-05 ; 4.424809e-01 1.245625e-01 2.598231e-02 1.068297e-02 0.000485 0.001021 True native_MD 7 138 173 CG_AB42_15 CB_AB42_19 1 1.497270e-03 4.093926e-06 ; 3.739440e-01 1.368991e-01 3.630830e-02 1.203156e-02 0.000485 0.001190 True native_MD 7 138 174 CG_AB42_15 CG_AB42_19 1 1.861301e-03 5.209092e-06 ; 3.753971e-01 1.662689e-01 2.658561e-02 7.167703e-03 0.000485 0.002332 True native_MD 7 138 175 @@ -31590,9 +31590,9 @@ NE2_AB42_14 O2_AB42_42 1 7.602081e-05 1.556809e-08 ; 2.427824e-01 9.280462 CG_AB42_15 CE1_AB42_19 1 1.059811e-03 2.233525e-06 ; 3.580638e-01 1.257205e-01 2.912925e-02 2.642755e-02 0.000485 0.002332 True native_MD 7 138 178 CG_AB42_15 CE2_AB42_19 1 1.059811e-03 2.233525e-06 ; 3.580638e-01 1.257205e-01 2.912925e-02 2.642755e-02 0.000485 0.002332 True native_MD 7 138 179 CG_AB42_15 CZ_AB42_19 1 1.216434e-03 3.151098e-06 ; 3.705916e-01 1.173965e-01 2.559539e-02 2.979022e-02 0.000485 0.002332 True native_MD 7 138 180 - CG_AB42_15 C_AB42_19 1 0.000000e+00 6.296135e-06 ; 3.284111e-01 -6.296135e-06 7.487503e-03 1.515618e-03 0.000485 0.000060 True native_MD 7 138 181 + CG_AB42_15 C_AB42_19 1 0.000000e+00 6.296030e-06 ; 3.284106e-01 -6.296030e-06 7.487503e-03 1.515618e-03 0.000485 0.000060 True native_MD 7 138 181 CG_AB42_15 O_AB42_19 1 6.215896e-04 6.256176e-07 ; 3.165684e-01 1.543969e-01 8.785630e-03 1.725023e-03 0.000485 0.001191 True native_MD 7 138 182 - CG_AB42_15 N_AB42_20 1 0.000000e+00 3.668937e-06 ; 3.139593e-01 -3.668937e-06 2.850935e-03 9.073045e-04 0.000485 0.000060 True native_MD 7 138 183 + CG_AB42_15 N_AB42_20 1 0.000000e+00 3.668888e-06 ; 3.139590e-01 -3.668888e-06 2.850935e-03 9.073045e-04 0.000485 0.000060 True native_MD 7 138 183 CG_AB42_15 CA_AB42_20 1 3.117698e-03 2.098674e-05 ; 4.345287e-01 1.157879e-01 1.173354e-02 6.273121e-03 0.000485 0.001021 True native_MD 7 138 185 CG_AB42_15 CB_AB42_20 1 1.215786e-03 3.607652e-06 ; 3.790774e-01 1.024306e-01 8.552014e-03 7.949851e-03 0.000485 0.001190 True native_MD 7 138 186 CG_AB42_15 CG_AB42_20 1 1.493901e-03 4.354670e-06 ; 3.779540e-01 1.281233e-01 5.540047e-03 4.677486e-03 0.000485 0.002332 True native_MD 7 138 187 @@ -31601,53 +31601,53 @@ NE2_AB42_14 O2_AB42_42 1 7.602081e-05 1.556809e-08 ; 2.427824e-01 9.280462 CG_AB42_15 CE1_AB42_20 1 9.730717e-04 2.233930e-06 ; 3.632069e-01 1.059644e-01 9.696075e-03 1.588864e-02 0.000485 0.002332 True native_MD 7 138 190 CG_AB42_15 CE2_AB42_20 1 9.730717e-04 2.233930e-06 ; 3.632069e-01 1.059644e-01 9.696075e-03 1.588864e-02 0.000485 0.002332 True native_MD 7 138 191 CG_AB42_15 CZ_AB42_20 1 9.191536e-04 2.085148e-06 ; 3.624862e-01 1.012930e-01 9.865768e-03 1.859238e-02 0.000485 0.002332 True native_MD 7 138 192 - CG_AB42_15 C_AB42_20 1 0.000000e+00 6.326063e-06 ; 3.285409e-01 -6.326063e-06 2.592628e-03 1.345653e-03 0.000485 0.000060 True native_MD 7 138 193 + CG_AB42_15 C_AB42_20 1 0.000000e+00 6.325957e-06 ; 3.285405e-01 -6.325957e-06 2.592628e-03 1.345653e-03 0.000485 0.000060 True native_MD 7 138 193 CG_AB42_15 O_AB42_20 1 5.112377e-04 6.813402e-07 ; 3.317342e-01 9.590069e-02 1.473988e-03 1.666369e-03 0.000485 0.001191 True native_MD 7 138 194 - CG_AB42_15 N_AB42_21 1 0.000000e+00 3.668853e-06 ; 3.139587e-01 -3.668853e-06 2.416239e-03 4.496964e-04 0.000485 0.000060 True native_MD 7 138 195 + CG_AB42_15 N_AB42_21 1 0.000000e+00 3.668804e-06 ; 3.139584e-01 -3.668804e-06 2.416239e-03 4.496964e-04 0.000485 0.000060 True native_MD 7 138 195 CG_AB42_15 CA_AB42_21 1 2.348191e-03 1.299760e-05 ; 4.205862e-01 1.060580e-01 9.796095e-03 7.007501e-03 0.000485 0.001021 True native_MD 7 138 197 CG_AB42_15 CB_AB42_21 1 1.485086e-03 3.977170e-06 ; 3.726522e-01 1.386338e-01 1.282169e-02 7.903312e-03 0.000485 0.002332 True native_MD 7 138 198 - CG_AB42_15 C_AB42_21 1 0.000000e+00 6.328406e-06 ; 3.285510e-01 -6.328406e-06 1.446300e-03 5.692058e-04 0.000485 0.000060 True native_MD 7 138 199 + CG_AB42_15 C_AB42_21 1 0.000000e+00 6.328299e-06 ; 3.285506e-01 -6.328299e-06 1.446300e-03 5.692058e-04 0.000485 0.000060 True native_MD 7 138 199 CG_AB42_15 O_AB42_21 1 1.724581e-04 9.986520e-08 ; 2.887055e-01 7.445485e-02 5.543044e-04 5.282602e-04 0.000485 0.001191 True native_MD 7 138 200 CG_AB42_15 N_AB42_22 1 1.011225e-03 2.785965e-06 ; 3.744162e-01 9.176136e-02 1.240575e-03 7.962167e-05 0.000485 0.000060 True native_MD 7 138 201 CG_AB42_15 CA_AB42_22 1 4.457393e-03 3.563772e-05 ; 4.471688e-01 1.393773e-01 4.676569e-03 1.234236e-03 0.000485 0.001021 True native_MD 7 138 203 CG_AB42_15 CB_AB42_22 1 2.529692e-03 1.122248e-05 ; 4.053562e-01 1.425563e-01 4.423726e-03 1.237597e-03 0.000485 0.001190 True native_MD 7 138 204 CG_AB42_15 CG_AB42_22 1 1.539976e-03 5.355501e-06 ; 3.892372e-01 1.107052e-01 3.536229e-03 2.566197e-03 0.000485 0.001190 True native_MD 7 138 205 - CG_AB42_15 CD_AB42_22 1 0.000000e+00 6.335386e-06 ; 3.285812e-01 -6.335386e-06 2.502031e-03 2.726961e-03 0.000485 0.000060 True native_MD 7 138 206 - CG_AB42_15 OE1_AB42_22 1 0.000000e+00 1.632154e-06 ; 2.934664e-01 -1.632154e-06 1.255870e-03 1.563349e-03 0.000485 0.000060 True native_MD 7 138 207 - CG_AB42_15 OE2_AB42_22 1 0.000000e+00 1.632154e-06 ; 2.934664e-01 -1.632154e-06 1.255870e-03 1.563349e-03 0.000485 0.000060 True native_MD 7 138 208 - CG_AB42_15 C_AB42_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 209 + CG_AB42_15 CD_AB42_22 1 0.000000e+00 6.335279e-06 ; 3.285808e-01 -6.335279e-06 2.502031e-03 2.726961e-03 0.000485 0.000060 True native_MD 7 138 206 + CG_AB42_15 OE1_AB42_22 1 0.000000e+00 1.632148e-06 ; 2.934663e-01 -1.632148e-06 1.255870e-03 1.563349e-03 0.000485 0.000060 True native_MD 7 138 207 + CG_AB42_15 OE2_AB42_22 1 0.000000e+00 1.632148e-06 ; 2.934663e-01 -1.632148e-06 1.255870e-03 1.563349e-03 0.000485 0.000060 True native_MD 7 138 208 + CG_AB42_15 C_AB42_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 209 CG_AB42_15 O_AB42_22 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 3.442550e-04 3.000786e-04 0.000485 0.001191 True native_MD 7 138 210 CG_AB42_15 N_AB42_23 1 1.738840e-03 8.644769e-06 ; 4.131258e-01 8.743915e-02 8.175249e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 138 211 CG_AB42_15 CA_AB42_23 1 4.548558e-03 4.737782e-05 ; 4.673227e-01 1.091723e-01 1.566605e-03 6.148245e-04 0.000485 0.001021 True native_MD 7 138 213 CG_AB42_15 CB_AB42_23 1 1.313651e-03 3.417388e-06 ; 3.708535e-01 1.262425e-01 2.611047e-03 1.180803e-03 0.000485 0.001190 True native_MD 7 138 214 - CG_AB42_15 CG_AB42_23 1 0.000000e+00 6.332145e-06 ; 3.285672e-01 -6.332145e-06 1.532162e-03 1.245412e-03 0.000485 0.000060 True native_MD 7 138 215 - CG_AB42_15 OD1_AB42_23 1 0.000000e+00 1.631250e-06 ; 2.934529e-01 -1.631250e-06 1.173486e-03 9.270124e-04 0.000485 0.000060 True native_MD 7 138 216 - CG_AB42_15 OD2_AB42_23 1 0.000000e+00 1.631250e-06 ; 2.934529e-01 -1.631250e-06 1.173486e-03 9.270124e-04 0.000485 0.000060 True native_MD 7 138 217 - CG_AB42_15 C_AB42_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 218 + CG_AB42_15 CG_AB42_23 1 0.000000e+00 6.332038e-06 ; 3.285668e-01 -6.332038e-06 1.532162e-03 1.245412e-03 0.000485 0.000060 True native_MD 7 138 215 + CG_AB42_15 OD1_AB42_23 1 0.000000e+00 1.631244e-06 ; 2.934528e-01 -1.631244e-06 1.173486e-03 9.270124e-04 0.000485 0.000060 True native_MD 7 138 216 + CG_AB42_15 OD2_AB42_23 1 0.000000e+00 1.631244e-06 ; 2.934528e-01 -1.631244e-06 1.173486e-03 9.270124e-04 0.000485 0.000060 True native_MD 7 138 217 + CG_AB42_15 C_AB42_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 218 CG_AB42_15 O_AB42_23 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 2.894838e-04 2.923402e-04 0.000485 0.001191 True native_MD 7 138 219 - CG_AB42_15 N_AB42_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 220 + CG_AB42_15 N_AB42_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 220 CG_AB42_15 CA_AB42_24 1 3.740569e-03 3.185618e-05 ; 4.519004e-01 1.098049e-01 1.695256e-03 1.084050e-03 0.000485 0.001021 True native_MD 7 138 222 CG_AB42_15 CB_AB42_24 1 2.354670e-03 1.211592e-05 ; 4.155000e-01 1.144047e-01 4.423269e-03 2.464762e-03 0.000485 0.001021 True native_MD 7 138 223 CG_AB42_15 CG1_AB42_24 1 1.738459e-03 5.398134e-06 ; 3.819559e-01 1.399668e-01 3.937180e-03 2.229816e-03 0.000485 0.002332 True native_MD 7 138 224 CG_AB42_15 CG2_AB42_24 1 1.750422e-03 5.550228e-06 ; 3.832905e-01 1.380113e-01 3.713389e-03 1.820277e-03 0.000485 0.002332 True native_MD 7 138 225 - CG_AB42_15 C_AB42_24 1 0.000000e+00 6.331680e-06 ; 3.285652e-01 -6.331680e-06 5.388283e-04 1.786326e-04 0.000485 0.000060 True native_MD 7 138 226 + CG_AB42_15 C_AB42_24 1 0.000000e+00 6.331573e-06 ; 3.285648e-01 -6.331573e-06 5.388283e-04 1.786326e-04 0.000485 0.000060 True native_MD 7 138 226 CG_AB42_15 O_AB42_24 1 4.828842e-04 6.979838e-07 ; 3.362537e-01 8.351812e-02 7.270104e-04 2.034856e-04 0.000485 0.001191 True native_MD 7 138 227 - CG_AB42_15 N_AB42_25 1 0.000000e+00 3.674417e-06 ; 3.139984e-01 -3.674417e-06 6.439854e-04 1.911177e-04 0.000485 0.000060 True native_MD 7 138 228 + CG_AB42_15 N_AB42_25 1 0.000000e+00 3.674369e-06 ; 3.139980e-01 -3.674369e-06 6.439854e-04 1.911177e-04 0.000485 0.000060 True native_MD 7 138 228 CG_AB42_15 CA_AB42_25 1 2.060610e-03 9.224983e-06 ; 4.059710e-01 1.150710e-01 2.374621e-03 1.512176e-03 0.000485 0.001190 True native_MD 7 138 230 - CG_AB42_15 C_AB42_25 1 0.000000e+00 6.325251e-06 ; 3.285374e-01 -6.325251e-06 1.730454e-03 3.553242e-04 0.000485 0.000060 True native_MD 7 138 231 + CG_AB42_15 C_AB42_25 1 0.000000e+00 6.325145e-06 ; 3.285369e-01 -6.325145e-06 1.730454e-03 3.553242e-04 0.000485 0.000060 True native_MD 7 138 231 CG_AB42_15 O_AB42_25 1 4.841065e-04 5.572478e-07 ; 3.237312e-01 1.051413e-01 1.388578e-03 4.793025e-04 0.000485 0.001191 True native_MD 7 138 232 CG_AB42_15 N_AB42_26 1 1.302594e-03 5.853859e-06 ; 4.062302e-01 7.246288e-02 1.043519e-03 1.193231e-04 0.000485 0.000060 True native_MD 7 138 233 CG_AB42_15 CA_AB42_26 1 2.665562e-03 1.277662e-05 ; 4.106179e-01 1.390278e-01 7.863953e-03 2.097269e-03 0.000485 0.001021 True native_MD 7 138 235 CG_AB42_15 CB_AB42_26 1 2.171140e-03 7.437637e-06 ; 3.882617e-01 1.584458e-01 1.135435e-02 1.974436e-03 0.000485 0.001190 True native_MD 7 138 236 - CG_AB42_15 OG_AB42_26 1 0.000000e+00 2.760708e-06 ; 3.066056e-01 -2.760708e-06 9.441586e-03 1.251283e-03 0.000485 0.000060 True native_MD 7 138 237 - CG_AB42_15 C_AB42_26 1 0.000000e+00 6.327314e-06 ; 3.285463e-01 -6.327314e-06 1.428784e-03 3.793411e-04 0.000485 0.000060 True native_MD 7 138 238 + CG_AB42_15 OG_AB42_26 1 0.000000e+00 2.760667e-06 ; 3.066052e-01 -2.760667e-06 9.441586e-03 1.251283e-03 0.000485 0.000060 True native_MD 7 138 237 + CG_AB42_15 C_AB42_26 1 0.000000e+00 6.327208e-06 ; 3.285459e-01 -6.327208e-06 1.428784e-03 3.793411e-04 0.000485 0.000060 True native_MD 7 138 238 CG_AB42_15 O_AB42_26 1 4.302098e-04 4.086077e-07 ; 3.135242e-01 1.132385e-01 1.769319e-03 4.929949e-04 0.000485 0.001191 True native_MD 7 138 239 - CG_AB42_15 N_AB42_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 240 + CG_AB42_15 N_AB42_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 240 CG_AB42_15 CA_AB42_27 1 4.896492e-03 4.085681e-05 ; 4.503636e-01 1.467052e-01 4.816843e-03 7.304813e-04 0.000485 0.001021 True native_MD 7 138 242 CG_AB42_15 CB_AB42_27 1 2.196978e-03 8.655570e-06 ; 3.974157e-01 1.394106e-01 3.872194e-03 8.018192e-04 0.000485 0.001190 True native_MD 7 138 243 - CG_AB42_15 CG_AB42_27 1 0.000000e+00 6.320544e-06 ; 3.285170e-01 -6.320544e-06 2.813016e-03 6.947888e-04 0.000485 0.000060 True native_MD 7 138 244 + CG_AB42_15 CG_AB42_27 1 0.000000e+00 6.320438e-06 ; 3.285166e-01 -6.320438e-06 2.813016e-03 6.947888e-04 0.000485 0.000060 True native_MD 7 138 244 CG_AB42_15 OD1_AB42_27 1 5.520582e-04 6.754453e-07 ; 3.270400e-01 1.128027e-01 1.746396e-03 5.402530e-04 0.000485 0.001191 True native_MD 7 138 245 - CG_AB42_15 ND2_AB42_27 1 0.000000e+00 6.317338e-06 ; 3.285031e-01 -6.317338e-06 3.512430e-03 1.351913e-03 0.000485 0.000060 True native_MD 7 138 246 + CG_AB42_15 ND2_AB42_27 1 0.000000e+00 6.317302e-06 ; 3.285030e-01 -6.317302e-06 3.512430e-03 1.351913e-03 0.000485 0.000060 True native_MD 7 138 246 CG_AB42_15 C_AB42_27 1 1.009010e-03 2.217142e-06 ; 3.605645e-01 1.147989e-01 3.100046e-03 9.985406e-05 0.000485 0.000060 True native_MD 7 138 247 CG_AB42_15 O_AB42_27 1 5.071090e-04 4.822207e-07 ; 3.135865e-01 1.333204e-01 3.227043e-03 1.844070e-04 0.000485 0.001191 True native_MD 7 138 248 CG_AB42_15 N_AB42_28 1 1.181956e-03 2.877228e-06 ; 3.667714e-01 1.213860e-01 2.257857e-03 0.000000e+00 0.000485 0.000060 True native_MD 7 138 249 @@ -31656,7 +31656,7 @@ NE2_AB42_14 O2_AB42_42 1 7.602081e-05 1.556809e-08 ; 2.427824e-01 9.280462 CG_AB42_15 CG_AB42_28 1 2.390651e-03 1.255274e-05 ; 4.169050e-01 1.138240e-01 1.800595e-03 8.029323e-04 0.000485 0.001190 True native_MD 7 138 253 CG_AB42_15 CD_AB42_28 1 1.857152e-03 7.234847e-06 ; 3.966709e-01 1.191806e-01 2.361942e-03 1.330044e-03 0.000485 0.001190 True native_MD 7 138 254 CG_AB42_15 CE_AB42_28 1 1.893549e-03 7.845664e-06 ; 4.007672e-01 1.142519e-01 2.393063e-03 1.561738e-03 0.000485 0.001190 True native_MD 7 138 255 - CG_AB42_15 NZ_AB42_28 1 0.000000e+00 3.674578e-06 ; 3.139995e-01 -3.674578e-06 1.210340e-03 8.011622e-04 0.000485 0.000060 True native_MD 7 138 256 + CG_AB42_15 NZ_AB42_28 1 0.000000e+00 3.674529e-06 ; 3.139992e-01 -3.674529e-06 1.210340e-03 8.011622e-04 0.000485 0.000060 True native_MD 7 138 256 CG_AB42_15 C_AB42_28 1 8.069983e-04 1.665391e-06 ; 3.568130e-01 9.776175e-02 4.255098e-03 2.282090e-04 0.000485 0.000060 True native_MD 7 138 257 CG_AB42_15 O_AB42_28 1 5.732192e-04 6.116148e-07 ; 3.196634e-01 1.343085e-01 3.323887e-03 7.477606e-05 0.000485 0.001191 True native_MD 7 138 258 CG_AB42_15 N_AB42_29 1 6.312417e-04 1.104605e-06 ; 3.471378e-01 9.018292e-02 3.944996e-03 2.654418e-04 0.000485 0.000060 True native_MD 7 138 259 @@ -31744,38 +31744,38 @@ NE2_AB42_14 O2_AB42_42 1 7.602081e-05 1.556809e-08 ; 2.427824e-01 9.280462 CG_AB42_15 N_AB42_42 1 1.117061e-03 2.651059e-06 ; 3.652221e-01 1.176723e-01 2.020370e-03 4.995393e-05 0.000485 0.000060 True native_MD 7 138 354 CG_AB42_15 CA_AB42_42 1 3.630904e-03 2.157599e-05 ; 4.255912e-01 1.527562e-01 5.773038e-03 8.437291e-04 0.000485 0.001021 True native_MD 7 138 356 CG_AB42_15 CB_AB42_42 1 1.982842e-03 6.531471e-06 ; 3.857333e-01 1.504892e-01 5.394376e-03 7.704463e-04 0.000485 0.002332 True native_MD 7 138 357 - CG_AB42_15 C_AB42_42 1 0.000000e+00 6.332628e-06 ; 3.285693e-01 -6.332628e-06 6.592603e-04 4.487675e-04 0.000485 0.000060 True native_MD 7 138 358 - CG_AB42_15 O1_AB42_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 359 - CG_AB42_15 O2_AB42_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 360 - CD_AB42_15 C_AB42_15 1 0.000000e+00 2.366705e-06 ; 3.026962e-01 -2.366705e-06 6.669524e-01 5.777246e-01 0.000485 0.000060 True native_MD 4 139 142 - CD_AB42_15 O_AB42_15 1 0.000000e+00 8.397738e-07 ; 2.776569e-01 -8.397738e-07 6.762058e-02 8.313667e-02 0.000485 0.000060 True native_MD 5 139 143 - CD_AB42_15 N_AB42_16 1 0.000000e+00 1.408131e-06 ; 2.898780e-01 -1.408131e-06 1.091399e-01 4.282165e-02 0.000485 0.000060 True native_MD 5 139 144 - CD_AB42_15 CA_AB42_16 1 0.000000e+00 1.223496e-05 ; 3.471058e-01 -1.223496e-05 8.950769e-02 2.691879e-02 0.000485 0.000060 True native_MD 6 139 146 - CD_AB42_15 CB_AB42_16 1 0.000000e+00 6.258330e-06 ; 3.282463e-01 -6.258330e-06 1.709593e-02 5.155402e-03 0.000485 0.000060 True native_MD 7 139 147 - CD_AB42_15 CG_AB42_16 1 0.000000e+00 6.365555e-06 ; 3.287113e-01 -6.365555e-06 2.375542e-02 2.874349e-02 0.000485 0.000060 True native_MD 7 139 148 - CD_AB42_15 CD_AB42_16 1 0.000000e+00 6.330980e-06 ; 3.285622e-01 -6.330980e-06 1.017879e-02 9.708197e-03 0.000485 0.000060 True native_MD 7 139 149 - CD_AB42_15 CE_AB42_16 1 0.000000e+00 6.356895e-06 ; 3.286741e-01 -6.356895e-06 1.041206e-02 1.403293e-02 0.000485 0.000060 True native_MD 7 139 150 + CG_AB42_15 C_AB42_42 1 0.000000e+00 6.332521e-06 ; 3.285689e-01 -6.332521e-06 6.592603e-04 4.487675e-04 0.000485 0.000060 True native_MD 7 138 358 + CG_AB42_15 O1_AB42_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 359 + CG_AB42_15 O2_AB42_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 360 + CD_AB42_15 C_AB42_15 1 0.000000e+00 2.366663e-06 ; 3.026958e-01 -2.366663e-06 6.669524e-01 5.777246e-01 0.000485 0.000060 True native_MD 4 139 142 + CD_AB42_15 O_AB42_15 1 0.000000e+00 8.397699e-07 ; 2.776568e-01 -8.397699e-07 6.762058e-02 8.313667e-02 0.000485 0.000060 True native_MD 5 139 143 + CD_AB42_15 N_AB42_16 1 0.000000e+00 1.408111e-06 ; 2.898777e-01 -1.408111e-06 1.091399e-01 4.282165e-02 0.000485 0.000060 True native_MD 5 139 144 + CD_AB42_15 CA_AB42_16 1 0.000000e+00 1.223490e-05 ; 3.471057e-01 -1.223490e-05 8.950769e-02 2.691879e-02 0.000485 0.000060 True native_MD 6 139 146 + CD_AB42_15 CB_AB42_16 1 0.000000e+00 6.258225e-06 ; 3.282459e-01 -6.258225e-06 1.709593e-02 5.155402e-03 0.000485 0.000060 True native_MD 7 139 147 + CD_AB42_15 CG_AB42_16 1 0.000000e+00 6.365448e-06 ; 3.287109e-01 -6.365448e-06 2.375542e-02 2.874349e-02 0.000485 0.000060 True native_MD 7 139 148 + CD_AB42_15 CD_AB42_16 1 0.000000e+00 6.330874e-06 ; 3.285617e-01 -6.330874e-06 1.017879e-02 9.708197e-03 0.000485 0.000060 True native_MD 7 139 149 + CD_AB42_15 CE_AB42_16 1 0.000000e+00 6.356789e-06 ; 3.286736e-01 -6.356789e-06 1.041206e-02 1.403293e-02 0.000485 0.000060 True native_MD 7 139 150 CD_AB42_15 NZ_AB42_16 1 5.328035e-04 8.174501e-07 ; 3.396115e-01 8.681862e-02 4.183681e-03 1.129243e-02 0.000485 0.002166 True native_MD 7 139 151 CD_AB42_15 C_AB42_16 1 3.506969e-03 1.459998e-05 ; 4.010853e-01 2.105967e-01 3.259409e-02 1.128473e-03 0.000485 0.002166 True native_MD 7 139 152 CD_AB42_15 O_AB42_16 1 1.406067e-03 2.477450e-06 ; 3.475360e-01 1.995019e-01 3.930606e-02 3.640716e-03 0.000485 0.002166 True native_MD 7 139 153 CD_AB42_15 N_AB42_17 1 9.400650e-04 1.597616e-06 ; 3.454504e-01 1.382877e-01 1.599524e-02 9.253236e-03 0.000485 0.002166 True native_MD 7 139 154 CD_AB42_15 CA_AB42_17 1 3.022318e-03 1.922048e-05 ; 4.304315e-01 1.188108e-01 5.654907e-02 3.621748e-02 0.000485 0.001339 True native_MD 7 139 156 - CD_AB42_15 CB_AB42_17 1 0.000000e+00 6.323760e-06 ; 3.285309e-01 -6.323760e-06 4.908563e-02 4.747506e-02 0.000485 0.000060 True native_MD 7 139 157 - CD_AB42_15 CG_AB42_17 1 0.000000e+00 1.187063e-05 ; 3.462325e-01 -1.187063e-05 1.443233e-01 5.382047e-02 0.000485 0.000060 True native_MD 7 139 158 - CD_AB42_15 CD1_AB42_17 1 0.000000e+00 4.589119e-06 ; 3.198692e-01 -4.589119e-06 6.953547e-02 4.054833e-02 0.000485 0.000060 True native_MD 7 139 159 + CD_AB42_15 CB_AB42_17 1 0.000000e+00 6.323654e-06 ; 3.285305e-01 -6.323654e-06 4.908563e-02 4.747506e-02 0.000485 0.000060 True native_MD 7 139 157 + CD_AB42_15 CG_AB42_17 1 0.000000e+00 1.187057e-05 ; 3.462323e-01 -1.187057e-05 1.443233e-01 5.382047e-02 0.000485 0.000060 True native_MD 7 139 158 + CD_AB42_15 CD1_AB42_17 1 0.000000e+00 4.589059e-06 ; 3.198689e-01 -4.589059e-06 6.953547e-02 4.054833e-02 0.000485 0.000060 True native_MD 7 139 159 CD_AB42_15 CD2_AB42_17 1 5.744205e-04 1.109299e-06 ; 3.528877e-01 7.436201e-02 1.304478e-01 1.409219e-02 0.000485 0.000060 True native_MD 7 139 160 CD_AB42_15 C_AB42_17 1 2.404260e-03 1.030497e-05 ; 4.030363e-01 1.402349e-01 2.332508e-02 1.272952e-02 0.000485 0.002166 True native_MD 7 139 161 CD_AB42_15 O_AB42_17 1 5.525077e-04 6.396360e-07 ; 3.240404e-01 1.193119e-01 2.816182e-02 2.874687e-02 0.000485 0.002166 True native_MD 7 139 162 CD_AB42_15 N_AB42_18 1 9.510408e-04 1.645295e-06 ; 3.464767e-01 1.374341e-01 3.649800e-03 1.994807e-03 0.000485 0.002166 True native_MD 7 139 163 CD_AB42_15 CA_AB42_18 1 1.419198e-03 4.823163e-06 ; 3.877467e-01 1.043985e-01 1.695115e-02 1.671109e-02 0.000485 0.001339 True native_MD 7 139 165 - CD_AB42_15 CB_AB42_18 1 0.000000e+00 1.304439e-05 ; 3.489638e-01 -1.304439e-05 2.702074e-02 2.644812e-02 0.000485 0.000060 True native_MD 7 139 166 - CD_AB42_15 CG1_AB42_18 1 0.000000e+00 4.747670e-06 ; 3.207759e-01 -4.747670e-06 1.441280e-02 1.897349e-02 0.000485 0.000060 True native_MD 7 139 167 - CD_AB42_15 CG2_AB42_18 1 0.000000e+00 4.741637e-06 ; 3.207419e-01 -4.741637e-06 2.355898e-02 2.684307e-02 0.000485 0.000060 True native_MD 7 139 168 + CD_AB42_15 CB_AB42_18 1 0.000000e+00 1.304432e-05 ; 3.489636e-01 -1.304432e-05 2.702074e-02 2.644812e-02 0.000485 0.000060 True native_MD 7 139 166 + CD_AB42_15 CG1_AB42_18 1 0.000000e+00 4.747608e-06 ; 3.207755e-01 -4.747608e-06 1.441280e-02 1.897349e-02 0.000485 0.000060 True native_MD 7 139 167 + CD_AB42_15 CG2_AB42_18 1 0.000000e+00 4.741575e-06 ; 3.207415e-01 -4.741575e-06 2.355898e-02 2.684307e-02 0.000485 0.000060 True native_MD 7 139 168 CD_AB42_15 C_AB42_18 1 2.230632e-03 8.072688e-06 ; 3.918306e-01 1.540912e-01 6.080733e-03 2.192096e-03 0.000485 0.002166 True native_MD 7 139 169 CD_AB42_15 O_AB42_18 1 5.875335e-04 6.659049e-07 ; 3.228964e-01 1.295965e-01 4.884675e-03 3.665223e-03 0.000485 0.002166 True native_MD 7 139 170 CD_AB42_15 N_AB42_19 1 8.536223e-04 1.285710e-06 ; 3.385682e-01 1.416865e-01 4.145107e-03 1.698204e-03 0.000485 0.002166 True native_MD 7 139 171 CD_AB42_15 CA_AB42_19 1 2.031706e-03 8.128287e-06 ; 3.984340e-01 1.269588e-01 1.682750e-02 8.445313e-03 0.000485 0.001339 True native_MD 7 139 173 - CD_AB42_15 CB_AB42_19 1 0.000000e+00 6.238867e-06 ; 3.281611e-01 -6.238867e-06 2.552362e-02 1.051023e-02 0.000485 0.000060 True native_MD 7 139 174 + CD_AB42_15 CB_AB42_19 1 0.000000e+00 6.238762e-06 ; 3.281607e-01 -6.238762e-06 2.552362e-02 1.051023e-02 0.000485 0.000060 True native_MD 7 139 174 CD_AB42_15 CG_AB42_19 1 1.435351e-03 3.057078e-06 ; 3.586945e-01 1.684804e-01 1.658279e-02 5.937892e-03 0.000485 0.003309 True native_MD 7 139 175 CD_AB42_15 CD1_AB42_19 1 1.059388e-03 1.822101e-06 ; 3.461409e-01 1.539848e-01 2.213800e-02 1.223230e-02 0.000485 0.003309 True native_MD 7 139 176 CD_AB42_15 CD2_AB42_19 1 1.059388e-03 1.822101e-06 ; 3.461409e-01 1.539848e-01 2.213800e-02 1.223230e-02 0.000485 0.003309 True native_MD 7 139 177 @@ -31786,7 +31786,7 @@ NE2_AB42_14 O2_AB42_42 1 7.602081e-05 1.556809e-08 ; 2.427824e-01 9.280462 CD_AB42_15 O_AB42_19 1 6.324525e-04 6.236767e-07 ; 3.154922e-01 1.603379e-01 7.799188e-03 2.332262e-03 0.000485 0.002166 True native_MD 7 139 182 CD_AB42_15 N_AB42_20 1 7.890932e-04 1.149926e-06 ; 3.367107e-01 1.353713e-01 3.431306e-03 9.212712e-04 0.000485 0.002166 True native_MD 7 139 183 CD_AB42_15 CA_AB42_20 1 1.865843e-03 7.257838e-06 ; 3.965720e-01 1.199176e-01 1.013011e-02 6.276573e-03 0.000485 0.001339 True native_MD 7 139 185 - CD_AB42_15 CB_AB42_20 1 0.000000e+00 6.334933e-06 ; 3.285793e-01 -6.334933e-06 7.432333e-03 7.585741e-03 0.000485 0.000060 True native_MD 7 139 186 + CD_AB42_15 CB_AB42_20 1 0.000000e+00 6.334826e-06 ; 3.285788e-01 -6.334826e-06 7.432333e-03 7.585741e-03 0.000485 0.000060 True native_MD 7 139 186 CD_AB42_15 CG_AB42_20 1 1.492004e-03 3.892567e-06 ; 3.710317e-01 1.429697e-01 4.747748e-03 3.647684e-03 0.000485 0.003309 True native_MD 7 139 187 CD_AB42_15 CD1_AB42_20 1 1.041602e-03 2.044944e-06 ; 3.538587e-01 1.326363e-01 6.526888e-03 6.831798e-03 0.000485 0.003309 True native_MD 7 139 188 CD_AB42_15 CD2_AB42_20 1 1.041602e-03 2.044944e-06 ; 3.538587e-01 1.326363e-01 6.526888e-03 6.831798e-03 0.000485 0.003309 True native_MD 7 139 189 @@ -31797,13 +31797,13 @@ NE2_AB42_14 O2_AB42_42 1 7.602081e-05 1.556809e-08 ; 2.427824e-01 9.280462 CD_AB42_15 O_AB42_20 1 8.252884e-04 1.275910e-06 ; 3.400445e-01 1.334540e-01 3.239966e-03 1.944133e-03 0.000485 0.002166 True native_MD 7 139 194 CD_AB42_15 N_AB42_21 1 9.025784e-04 1.429189e-06 ; 3.414031e-01 1.425018e-01 4.247484e-03 9.002856e-04 0.000485 0.002166 True native_MD 7 139 195 CD_AB42_15 CA_AB42_21 1 1.664602e-03 5.882707e-06 ; 3.902813e-01 1.177562e-01 9.407142e-03 6.218098e-03 0.000485 0.001339 True native_MD 7 139 197 - CD_AB42_15 CB_AB42_21 1 0.000000e+00 4.710237e-06 ; 3.205644e-01 -4.710237e-06 9.928179e-03 6.568317e-03 0.000485 0.000060 True native_MD 7 139 198 + CD_AB42_15 CB_AB42_21 1 0.000000e+00 4.710175e-06 ; 3.205640e-01 -4.710175e-06 9.928179e-03 6.568317e-03 0.000485 0.000060 True native_MD 7 139 198 CD_AB42_15 C_AB42_21 1 1.610731e-03 4.622718e-06 ; 3.769749e-01 1.403099e-01 3.977819e-03 3.989495e-04 0.000485 0.002166 True native_MD 7 139 199 CD_AB42_15 O_AB42_21 1 5.683792e-04 6.299426e-07 ; 3.216946e-01 1.282081e-01 2.769244e-03 7.919114e-04 0.000485 0.002166 True native_MD 7 139 200 CD_AB42_15 N_AB42_22 1 6.864024e-04 9.096252e-07 ; 3.314215e-01 1.294897e-01 2.877515e-03 1.465014e-04 0.000485 0.002166 True native_MD 7 139 201 CD_AB42_15 CA_AB42_22 1 1.803513e-03 5.434421e-06 ; 3.800485e-01 1.496323e-01 5.257799e-03 1.114078e-03 0.000485 0.001339 True native_MD 7 139 203 - CD_AB42_15 CB_AB42_22 1 0.000000e+00 6.309655e-06 ; 3.284698e-01 -6.309655e-06 5.242078e-03 1.404645e-03 0.000485 0.000060 True native_MD 7 139 204 - CD_AB42_15 CG_AB42_22 1 0.000000e+00 6.318273e-06 ; 3.285072e-01 -6.318273e-06 5.064011e-03 2.587134e-03 0.000485 0.000060 True native_MD 7 139 205 + CD_AB42_15 CB_AB42_22 1 0.000000e+00 6.309549e-06 ; 3.284694e-01 -6.309549e-06 5.242078e-03 1.404645e-03 0.000485 0.000060 True native_MD 7 139 204 + CD_AB42_15 CG_AB42_22 1 0.000000e+00 6.318167e-06 ; 3.285067e-01 -6.318167e-06 5.064011e-03 2.587134e-03 0.000485 0.000060 True native_MD 7 139 205 CD_AB42_15 CD_AB42_22 1 1.941439e-03 7.662500e-06 ; 3.975342e-01 1.229751e-01 2.966634e-03 2.713769e-03 0.000485 0.002166 True native_MD 7 139 206 CD_AB42_15 OE1_AB42_22 1 6.227562e-04 9.243831e-07 ; 3.377450e-01 1.048876e-01 1.378074e-03 1.932837e-03 0.000485 0.002166 True native_MD 7 139 207 CD_AB42_15 OE2_AB42_22 1 6.227562e-04 9.243831e-07 ; 3.377450e-01 1.048876e-01 1.378074e-03 1.932837e-03 0.000485 0.002166 True native_MD 7 139 208 @@ -31811,15 +31811,15 @@ NE2_AB42_14 O2_AB42_42 1 7.602081e-05 1.556809e-08 ; 2.427824e-01 9.280462 CD_AB42_15 O_AB42_22 1 5.396791e-04 7.508450e-07 ; 3.341200e-01 9.697525e-02 1.087523e-03 2.296457e-04 0.000485 0.002166 True native_MD 7 139 210 CD_AB42_15 N_AB42_23 1 4.320694e-04 4.682108e-07 ; 3.204901e-01 9.967946e-02 1.179191e-03 5.056263e-05 0.000485 0.002166 True native_MD 7 139 211 CD_AB42_15 CA_AB42_23 1 1.838158e-03 7.057740e-06 ; 3.957132e-01 1.196850e-01 2.145803e-03 7.421803e-04 0.000485 0.001339 True native_MD 7 139 213 - CD_AB42_15 CB_AB42_23 1 0.000000e+00 6.321785e-06 ; 3.285224e-01 -6.321785e-06 3.339316e-03 1.416971e-03 0.000485 0.000060 True native_MD 7 139 214 + CD_AB42_15 CB_AB42_23 1 0.000000e+00 6.321679e-06 ; 3.285219e-01 -6.321679e-06 3.339316e-03 1.416971e-03 0.000485 0.000060 True native_MD 7 139 214 CD_AB42_15 CG_AB42_23 1 1.361543e-03 3.759897e-06 ; 3.745623e-01 1.232613e-01 2.388194e-03 1.047455e-03 0.000485 0.002166 True native_MD 7 139 215 CD_AB42_15 OD1_AB42_23 1 4.177998e-04 4.468670e-07 ; 3.197925e-01 9.765584e-02 1.109900e-03 1.048111e-03 0.000485 0.002166 True native_MD 7 139 216 CD_AB42_15 OD2_AB42_23 1 4.177998e-04 4.468670e-07 ; 3.197925e-01 9.765584e-02 1.109900e-03 1.048111e-03 0.000485 0.002166 True native_MD 7 139 217 CD_AB42_15 N_AB42_24 1 6.420087e-04 1.360548e-06 ; 3.583952e-01 7.573696e-02 5.759854e-04 7.779188e-05 0.000485 0.002166 True native_MD 7 139 220 CD_AB42_15 CA_AB42_24 1 1.850019e-03 7.603963e-06 ; 4.002309e-01 1.125259e-01 1.731990e-03 1.006063e-03 0.000485 0.001339 True native_MD 7 139 222 - CD_AB42_15 CB_AB42_24 1 0.000000e+00 1.302366e-05 ; 3.489175e-01 -1.302366e-05 4.219469e-03 2.058135e-03 0.000485 0.000060 True native_MD 7 139 223 - CD_AB42_15 CG1_AB42_24 1 0.000000e+00 4.715724e-06 ; 3.205955e-01 -4.715724e-06 4.122826e-03 1.923969e-03 0.000485 0.000060 True native_MD 7 139 224 - CD_AB42_15 CG2_AB42_24 1 0.000000e+00 4.713028e-06 ; 3.205802e-01 -4.713028e-06 4.204740e-03 1.435505e-03 0.000485 0.000060 True native_MD 7 139 225 + CD_AB42_15 CB_AB42_24 1 0.000000e+00 1.302359e-05 ; 3.489173e-01 -1.302359e-05 4.219469e-03 2.058135e-03 0.000485 0.000060 True native_MD 7 139 223 + CD_AB42_15 CG1_AB42_24 1 0.000000e+00 4.715662e-06 ; 3.205951e-01 -4.715662e-06 4.122826e-03 1.923969e-03 0.000485 0.000060 True native_MD 7 139 224 + CD_AB42_15 CG2_AB42_24 1 0.000000e+00 4.712966e-06 ; 3.205798e-01 -4.712966e-06 4.204740e-03 1.435505e-03 0.000485 0.000060 True native_MD 7 139 225 CD_AB42_15 C_AB42_24 1 1.445995e-03 5.593378e-06 ; 3.962032e-01 9.345426e-02 9.787626e-04 5.597294e-05 0.000485 0.002166 True native_MD 7 139 226 CD_AB42_15 O_AB42_24 1 5.758673e-04 8.193977e-07 ; 3.353735e-01 1.011790e-01 1.233311e-03 2.878244e-04 0.000485 0.002166 True native_MD 7 139 227 CD_AB42_15 N_AB42_25 1 7.464230e-04 1.669815e-06 ; 3.616434e-01 8.341454e-02 7.247603e-04 3.810484e-04 0.000485 0.002166 True native_MD 7 139 228 @@ -31828,13 +31828,13 @@ NE2_AB42_14 O2_AB42_42 1 7.602081e-05 1.556809e-08 ; 2.427824e-01 9.280462 CD_AB42_15 O_AB42_25 1 5.466706e-04 6.340591e-07 ; 3.241410e-01 1.178316e-01 2.030025e-03 5.525896e-04 0.000485 0.002166 True native_MD 7 139 232 CD_AB42_15 N_AB42_26 1 1.188442e-03 3.541007e-06 ; 3.793367e-01 9.971696e-02 1.180515e-03 2.112647e-04 0.000485 0.002166 True native_MD 7 139 233 CD_AB42_15 CA_AB42_26 1 2.448857e-03 9.958511e-06 ; 3.995200e-01 1.505472e-01 7.372539e-03 1.826600e-03 0.000485 0.001339 True native_MD 7 139 235 - CD_AB42_15 CB_AB42_26 1 0.000000e+00 6.281732e-06 ; 3.283484e-01 -6.281732e-06 1.024000e-02 1.994180e-03 0.000485 0.000060 True native_MD 7 139 236 + CD_AB42_15 CB_AB42_26 1 0.000000e+00 6.281627e-06 ; 3.283480e-01 -6.281627e-06 1.024000e-02 1.994180e-03 0.000485 0.000060 True native_MD 7 139 236 CD_AB42_15 OG_AB42_26 1 5.004185e-04 3.735585e-07 ; 3.011879e-01 1.675900e-01 8.999018e-03 1.152799e-03 0.000485 0.002166 True native_MD 7 139 237 CD_AB42_15 C_AB42_26 1 1.770830e-03 6.449597e-06 ; 3.922467e-01 1.215518e-01 2.269090e-03 3.834835e-04 0.000485 0.002166 True native_MD 7 139 238 CD_AB42_15 O_AB42_26 1 5.724249e-04 6.583986e-07 ; 3.236893e-01 1.244194e-01 2.472413e-03 6.381583e-04 0.000485 0.002166 True native_MD 7 139 239 CD_AB42_15 N_AB42_27 1 4.860523e-04 7.073792e-07 ; 3.366368e-01 8.349369e-02 7.264792e-04 1.638870e-04 0.000485 0.002166 True native_MD 7 139 240 CD_AB42_15 CA_AB42_27 1 2.214594e-03 8.456340e-06 ; 3.953497e-01 1.449926e-01 4.576190e-03 7.607260e-04 0.000485 0.001339 True native_MD 7 139 242 - CD_AB42_15 CB_AB42_27 1 0.000000e+00 6.314127e-06 ; 3.284892e-01 -6.314127e-06 4.100711e-03 9.694097e-04 0.000485 0.000060 True native_MD 7 139 243 + CD_AB42_15 CB_AB42_27 1 0.000000e+00 6.314022e-06 ; 3.284888e-01 -6.314022e-06 4.100711e-03 9.694097e-04 0.000485 0.000060 True native_MD 7 139 243 CD_AB42_15 CG_AB42_27 1 1.565154e-03 4.918720e-06 ; 3.827212e-01 1.245094e-01 2.479080e-03 9.268140e-04 0.000485 0.002166 True native_MD 7 139 244 CD_AB42_15 OD1_AB42_27 1 6.141625e-04 8.076900e-07 ; 3.309992e-01 1.167514e-01 1.965450e-03 6.697197e-04 0.000485 0.002166 True native_MD 7 139 245 CD_AB42_15 ND2_AB42_27 1 6.584579e-04 8.576002e-07 ; 3.304655e-01 1.263895e-01 2.622564e-03 1.442715e-03 0.000485 0.002166 True native_MD 7 139 246 @@ -31842,10 +31842,10 @@ NE2_AB42_14 O2_AB42_42 1 7.602081e-05 1.556809e-08 ; 2.427824e-01 9.280462 CD_AB42_15 O_AB42_27 1 5.802768e-04 6.051161e-07 ; 3.184446e-01 1.391143e-01 3.838004e-03 3.800366e-04 0.000485 0.002166 True native_MD 7 139 248 CD_AB42_15 N_AB42_28 1 7.628268e-04 1.267135e-06 ; 3.441381e-01 1.148072e-01 1.854361e-03 8.936059e-05 0.000485 0.002166 True native_MD 7 139 249 CD_AB42_15 CA_AB42_28 1 2.068608e-03 6.791354e-06 ; 3.855195e-01 1.575216e-01 6.657939e-03 6.627173e-04 0.000485 0.001339 True native_MD 7 139 251 - CD_AB42_15 CB_AB42_28 1 0.000000e+00 6.317260e-06 ; 3.285028e-01 -6.317260e-06 3.197782e-03 5.610798e-04 0.000485 0.000060 True native_MD 7 139 252 - CD_AB42_15 CG_AB42_28 1 0.000000e+00 6.325146e-06 ; 3.285369e-01 -6.325146e-06 2.302827e-03 9.111786e-04 0.000485 0.000060 True native_MD 7 139 253 - CD_AB42_15 CD_AB42_28 1 0.000000e+00 6.322229e-06 ; 3.285243e-01 -6.322229e-06 3.187142e-03 1.334875e-03 0.000485 0.000060 True native_MD 7 139 254 - CD_AB42_15 CE_AB42_28 1 0.000000e+00 6.320575e-06 ; 3.285172e-01 -6.320575e-06 3.798846e-03 1.685450e-03 0.000485 0.000060 True native_MD 7 139 255 + CD_AB42_15 CB_AB42_28 1 0.000000e+00 6.317154e-06 ; 3.285023e-01 -6.317154e-06 3.197782e-03 5.610798e-04 0.000485 0.000060 True native_MD 7 139 252 + CD_AB42_15 CG_AB42_28 1 0.000000e+00 6.325040e-06 ; 3.285365e-01 -6.325040e-06 2.302827e-03 9.111786e-04 0.000485 0.000060 True native_MD 7 139 253 + CD_AB42_15 CD_AB42_28 1 0.000000e+00 6.322123e-06 ; 3.285239e-01 -6.322123e-06 3.187142e-03 1.334875e-03 0.000485 0.000060 True native_MD 7 139 254 + CD_AB42_15 CE_AB42_28 1 0.000000e+00 6.320469e-06 ; 3.285167e-01 -6.320469e-06 3.798846e-03 1.685450e-03 0.000485 0.000060 True native_MD 7 139 255 CD_AB42_15 C_AB42_28 1 1.699574e-03 4.864776e-06 ; 3.768083e-01 1.484422e-01 5.073852e-03 2.486087e-04 0.000485 0.002166 True native_MD 7 139 257 CD_AB42_15 O_AB42_28 1 6.385897e-04 7.405498e-07 ; 3.241321e-01 1.376669e-01 3.675311e-03 2.353921e-04 0.000485 0.002166 True native_MD 7 139 258 CD_AB42_15 N_AB42_29 1 7.353113e-04 1.003653e-06 ; 3.330571e-01 1.346786e-01 3.360910e-03 3.229958e-04 0.000485 0.002166 True native_MD 7 139 259 @@ -31854,7 +31854,7 @@ NE2_AB42_14 O2_AB42_42 1 7.602081e-05 1.556809e-08 ; 2.427824e-01 9.280462 CD_AB42_15 O_AB42_29 1 6.163255e-04 6.924424e-07 ; 3.224252e-01 1.371440e-01 3.618243e-03 5.159514e-04 0.000485 0.002166 True native_MD 7 139 263 CD_AB42_15 N_AB42_30 1 6.556775e-04 8.364632e-07 ; 3.293261e-01 1.284913e-01 2.792814e-03 3.005766e-04 0.000485 0.002166 True native_MD 7 139 264 CD_AB42_15 CA_AB42_30 1 1.997101e-03 6.065390e-06 ; 3.805483e-01 1.643923e-01 1.012221e-02 1.657145e-03 0.000485 0.001339 True native_MD 7 139 266 - CD_AB42_15 CB_AB42_30 1 0.000000e+00 4.691070e-06 ; 3.204554e-01 -4.691070e-06 8.785361e-03 1.369967e-03 0.000485 0.000060 True native_MD 7 139 267 + CD_AB42_15 CB_AB42_30 1 0.000000e+00 4.691008e-06 ; 3.204551e-01 -4.691008e-06 8.785361e-03 1.369967e-03 0.000485 0.000060 True native_MD 7 139 267 CD_AB42_15 C_AB42_30 1 1.741784e-03 5.406567e-06 ; 3.819336e-01 1.402836e-01 3.974683e-03 3.574429e-04 0.000485 0.002166 True native_MD 7 139 268 CD_AB42_15 O_AB42_30 1 7.568872e-04 1.002385e-06 ; 3.313858e-01 1.428788e-01 4.295672e-03 5.129168e-04 0.000485 0.002166 True native_MD 7 139 269 CD_AB42_15 N_AB42_31 1 5.346775e-04 6.519804e-07 ; 3.268565e-01 1.096199e-01 1.587729e-03 6.732606e-05 0.000485 0.002166 True native_MD 7 139 270 @@ -31937,7 +31937,7 @@ NE2_AB42_14 O2_AB42_42 1 7.602081e-05 1.556809e-08 ; 2.427824e-01 9.280462 CD_AB42_15 O1_AB42_42 1 3.831457e-04 4.202827e-07 ; 3.211414e-01 8.732256e-02 8.146774e-04 5.400952e-04 0.000485 0.002166 True native_MD 7 139 359 CD_AB42_15 O2_AB42_42 1 3.831457e-04 4.202827e-07 ; 3.211414e-01 8.732256e-02 8.146774e-04 5.400952e-04 0.000485 0.002166 True native_MD 7 139 360 OE1_AB42_15 OE1_AB42_15 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 140 140 -OE1_AB42_15 C_AB42_15 1 0.000000e+00 7.755312e-07 ; 2.758216e-01 -7.755312e-07 8.916696e-02 2.699619e-02 0.000485 0.000060 True native_MD 5 140 142 +OE1_AB42_15 C_AB42_15 1 0.000000e+00 7.755276e-07 ; 2.758215e-01 -7.755276e-07 8.916696e-02 2.699619e-02 0.000485 0.000060 True native_MD 5 140 142 OE1_AB42_15 O_AB42_15 1 0.000000e+00 1.474208e-06 ; 2.909879e-01 -1.474208e-06 6.318904e-02 4.599405e-02 0.000485 0.000060 True native_MD 6 140 143 OE1_AB42_15 N_AB42_16 1 0.000000e+00 1.406539e-06 ; 2.898507e-01 -1.406539e-06 7.524638e-02 1.293881e-02 0.000485 0.000060 True native_MD 6 140 144 OE1_AB42_15 H_AB42_16 1 1.737384e-05 3.601320e-10 ; 1.657401e-01 2.095414e-01 3.158078e-02 1.255796e-03 0.000485 0.005316 True native_MD 7 140 145 @@ -32156,35 +32156,35 @@ OE1_AB42_15 CB_AB42_42 1 4.435938e-04 3.459170e-07 ; 3.033875e-01 1.422129 OE1_AB42_15 C_AB42_42 1 4.865896e-04 7.221739e-07 ; 3.377379e-01 8.196414e-02 6.939754e-04 3.342896e-04 0.000485 0.002166 True native_MD 7 140 358 OE1_AB42_15 O1_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 140 359 OE1_AB42_15 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 140 360 -NE2_AB42_15 C_AB42_15 1 0.000000e+00 2.619347e-06 ; 3.052655e-01 -2.619347e-06 1.482568e-01 1.567212e-01 0.000485 0.000060 True native_MD 5 141 142 -NE2_AB42_15 O_AB42_15 1 0.000000e+00 8.314959e-07 ; 2.774278e-01 -8.314959e-07 1.655763e-02 2.253121e-02 0.000485 0.000060 True native_MD 6 141 143 -NE2_AB42_15 N_AB42_16 1 0.000000e+00 1.466773e-06 ; 2.908653e-01 -1.466773e-06 3.880452e-02 1.182229e-02 0.000485 0.000060 True native_MD 6 141 144 +NE2_AB42_15 C_AB42_15 1 0.000000e+00 2.619330e-06 ; 3.052654e-01 -2.619330e-06 1.482568e-01 1.567212e-01 0.000485 0.000060 True native_MD 5 141 142 +NE2_AB42_15 O_AB42_15 1 0.000000e+00 8.315013e-07 ; 2.774280e-01 -8.315013e-07 1.655763e-02 2.253121e-02 0.000485 0.000060 True native_MD 6 141 143 +NE2_AB42_15 N_AB42_16 1 0.000000e+00 1.466769e-06 ; 2.908652e-01 -1.466769e-06 3.880452e-02 1.182229e-02 0.000485 0.000060 True native_MD 6 141 144 NE2_AB42_15 CA_AB42_16 1 1.642309e-03 5.301813e-06 ; 3.844397e-01 1.271819e-01 2.768067e-02 1.380018e-02 0.000485 0.001339 True native_MD 7 141 146 -NE2_AB42_15 CB_AB42_16 1 0.000000e+00 6.300612e-06 ; 3.284306e-01 -6.300612e-06 1.027549e-02 5.473060e-03 0.000485 0.000060 True native_MD 7 141 147 -NE2_AB42_15 CG_AB42_16 1 0.000000e+00 6.452621e-06 ; 3.290837e-01 -6.452621e-06 4.943614e-03 2.415148e-02 0.000485 0.000060 True native_MD 7 141 148 -NE2_AB42_15 CD_AB42_16 1 0.000000e+00 6.392253e-06 ; 3.288260e-01 -6.392253e-06 2.619436e-03 1.229193e-02 0.000485 0.000060 True native_MD 7 141 149 -NE2_AB42_15 CE_AB42_16 1 0.000000e+00 6.422771e-06 ; 3.289565e-01 -6.422771e-06 4.008599e-03 1.850157e-02 0.000485 0.000060 True native_MD 7 141 150 -NE2_AB42_15 NZ_AB42_16 1 0.000000e+00 1.524966e-06 ; 2.918099e-01 -1.524966e-06 2.014016e-03 1.363500e-02 0.000485 0.002166 True native_MD 7 141 151 +NE2_AB42_15 CB_AB42_16 1 0.000000e+00 6.300576e-06 ; 3.284304e-01 -6.300576e-06 1.027549e-02 5.473060e-03 0.000485 0.000060 True native_MD 7 141 147 +NE2_AB42_15 CG_AB42_16 1 0.000000e+00 6.452585e-06 ; 3.290835e-01 -6.452585e-06 4.943614e-03 2.415148e-02 0.000485 0.000060 True native_MD 7 141 148 +NE2_AB42_15 CD_AB42_16 1 0.000000e+00 6.392217e-06 ; 3.288259e-01 -6.392217e-06 2.619436e-03 1.229193e-02 0.000485 0.000060 True native_MD 7 141 149 +NE2_AB42_15 CE_AB42_16 1 0.000000e+00 6.422735e-06 ; 3.289564e-01 -6.422735e-06 4.008599e-03 1.850157e-02 0.000485 0.000060 True native_MD 7 141 150 +NE2_AB42_15 NZ_AB42_16 1 0.000000e+00 1.524961e-06 ; 2.918098e-01 -1.524961e-06 2.014016e-03 1.363500e-02 0.000485 0.002166 True native_MD 7 141 151 NE2_AB42_15 C_AB42_16 1 1.139450e-03 1.687375e-06 ; 3.376132e-01 1.923618e-01 1.888623e-02 1.744644e-03 0.000485 0.002166 True native_MD 7 141 152 NE2_AB42_15 O_AB42_16 1 2.103857e-04 6.050930e-08 ; 2.569218e-01 1.828732e-01 2.730642e-02 4.160277e-03 0.000485 0.002166 True native_MD 7 141 153 NE2_AB42_15 N_AB42_17 1 1.100389e-03 2.335397e-06 ; 3.584834e-01 1.296200e-01 1.014853e-02 7.609730e-03 0.000485 0.002166 True native_MD 7 141 154 NE2_AB42_15 CA_AB42_17 1 2.259375e-03 1.086412e-05 ; 4.108353e-01 1.174687e-01 5.017718e-02 3.345448e-02 0.000485 0.001339 True native_MD 7 141 156 -NE2_AB42_15 CB_AB42_17 1 0.000000e+00 6.347038e-06 ; 3.286316e-01 -6.347038e-06 4.191834e-02 4.444908e-02 0.000485 0.000060 True native_MD 7 141 157 -NE2_AB42_15 CG_AB42_17 1 0.000000e+00 1.243720e-05 ; 3.475803e-01 -1.243720e-05 9.667991e-02 5.002881e-02 0.000485 0.000060 True native_MD 7 141 158 -NE2_AB42_15 CD1_AB42_17 1 0.000000e+00 4.654241e-06 ; 3.202450e-01 -4.654241e-06 5.424141e-02 3.949165e-02 0.000485 0.000060 True native_MD 7 141 159 -NE2_AB42_15 CD2_AB42_17 1 0.000000e+00 4.362328e-06 ; 3.185211e-01 -4.362328e-06 9.293880e-02 1.639436e-02 0.000485 0.000060 True native_MD 7 141 160 +NE2_AB42_15 CB_AB42_17 1 0.000000e+00 6.347002e-06 ; 3.286314e-01 -6.347002e-06 4.191834e-02 4.444908e-02 0.000485 0.000060 True native_MD 7 141 157 +NE2_AB42_15 CG_AB42_17 1 0.000000e+00 1.243727e-05 ; 3.475805e-01 -1.243727e-05 9.667991e-02 5.002881e-02 0.000485 0.000060 True native_MD 7 141 158 +NE2_AB42_15 CD1_AB42_17 1 0.000000e+00 4.654233e-06 ; 3.202450e-01 -4.654233e-06 5.424141e-02 3.949165e-02 0.000485 0.000060 True native_MD 7 141 159 +NE2_AB42_15 CD2_AB42_17 1 0.000000e+00 4.362320e-06 ; 3.185210e-01 -4.362320e-06 9.293880e-02 1.639436e-02 0.000485 0.000060 True native_MD 7 141 160 NE2_AB42_15 C_AB42_17 1 7.538432e-04 1.127506e-06 ; 3.381736e-01 1.260036e-01 2.053158e-02 1.715472e-02 0.000485 0.002166 True native_MD 7 141 161 NE2_AB42_15 O_AB42_17 1 1.121779e-04 2.725715e-08 ; 2.498018e-01 1.154182e-01 2.334367e-02 2.677420e-02 0.000485 0.002166 True native_MD 7 141 162 NE2_AB42_15 N_AB42_18 1 1.142353e-03 2.238343e-06 ; 3.537429e-01 1.457517e-01 9.440563e-03 4.368238e-03 0.000485 0.002166 True native_MD 7 141 163 NE2_AB42_15 CA_AB42_18 1 1.117461e-03 2.788607e-06 ; 3.682922e-01 1.119483e-01 2.762645e-02 2.172801e-02 0.000485 0.001339 True native_MD 7 141 165 -NE2_AB42_15 CB_AB42_18 1 0.000000e+00 1.299681e-05 ; 3.488575e-01 -1.299681e-05 3.004706e-02 2.629228e-02 0.000485 0.000060 True native_MD 7 141 166 -NE2_AB42_15 CG1_AB42_18 1 0.000000e+00 4.736650e-06 ; 3.207138e-01 -4.736650e-06 1.730131e-02 1.999650e-02 0.000485 0.000060 True native_MD 7 141 167 -NE2_AB42_15 CG2_AB42_18 1 0.000000e+00 4.717114e-06 ; 3.206033e-01 -4.717114e-06 2.540833e-02 2.396800e-02 0.000485 0.000060 True native_MD 7 141 168 +NE2_AB42_15 CB_AB42_18 1 0.000000e+00 1.299689e-05 ; 3.488577e-01 -1.299689e-05 3.004706e-02 2.629228e-02 0.000485 0.000060 True native_MD 7 141 166 +NE2_AB42_15 CG1_AB42_18 1 0.000000e+00 4.736641e-06 ; 3.207137e-01 -4.736641e-06 1.730131e-02 1.999650e-02 0.000485 0.000060 True native_MD 7 141 167 +NE2_AB42_15 CG2_AB42_18 1 0.000000e+00 4.717105e-06 ; 3.206033e-01 -4.717105e-06 2.540833e-02 2.396800e-02 0.000485 0.000060 True native_MD 7 141 168 NE2_AB42_15 C_AB42_18 1 1.004165e-03 1.843930e-06 ; 3.499370e-01 1.367118e-01 8.886448e-03 5.389129e-03 0.000485 0.002166 True native_MD 7 141 169 NE2_AB42_15 O_AB42_18 1 1.375057e-04 3.692337e-08 ; 2.539979e-01 1.280206e-01 5.017811e-03 3.947052e-03 0.000485 0.002166 True native_MD 7 141 170 NE2_AB42_15 N_AB42_19 1 6.579323e-04 7.428594e-07 ; 3.226915e-01 1.456786e-01 8.666248e-03 4.018736e-03 0.000485 0.002166 True native_MD 7 141 171 NE2_AB42_15 CA_AB42_19 1 1.187384e-03 2.894193e-06 ; 3.668507e-01 1.217854e-01 2.068050e-02 1.211731e-02 0.000485 0.001339 True native_MD 7 141 173 -NE2_AB42_15 CB_AB42_19 1 0.000000e+00 6.255864e-06 ; 3.282355e-01 -6.255864e-06 2.455223e-02 1.268174e-02 0.000485 0.000060 True native_MD 7 141 174 +NE2_AB42_15 CB_AB42_19 1 0.000000e+00 6.255828e-06 ; 3.282354e-01 -6.255828e-06 2.455223e-02 1.268174e-02 0.000485 0.000060 True native_MD 7 141 174 NE2_AB42_15 CG_AB42_19 1 9.067909e-04 1.267283e-06 ; 3.343703e-01 1.622112e-01 2.044635e-02 8.832516e-03 0.000485 0.003309 True native_MD 7 141 175 NE2_AB42_15 CD1_AB42_19 1 5.192816e-04 4.501911e-07 ; 3.087917e-01 1.497438e-01 2.097780e-02 1.316020e-02 0.000485 0.003309 True native_MD 7 141 176 NE2_AB42_15 CD2_AB42_19 1 5.192816e-04 4.501911e-07 ; 3.087917e-01 1.497438e-01 2.097780e-02 1.316020e-02 0.000485 0.003309 True native_MD 7 141 177 @@ -32195,7 +32195,7 @@ NE2_AB42_15 C_AB42_19 1 9.483363e-04 1.498872e-06 ; 3.412980e-01 1.500031 NE2_AB42_15 O_AB42_19 1 1.764299e-04 5.528864e-08 ; 2.606217e-01 1.407500e-01 7.439208e-03 3.998025e-03 0.000485 0.002166 True native_MD 7 141 182 NE2_AB42_15 N_AB42_20 1 9.400528e-04 1.456356e-06 ; 3.401621e-01 1.516970e-01 5.723925e-03 2.216834e-03 0.000485 0.002166 True native_MD 7 141 183 NE2_AB42_15 CA_AB42_20 1 1.263425e-03 3.533091e-06 ; 3.753481e-01 1.129495e-01 1.136791e-02 8.676869e-03 0.000485 0.001339 True native_MD 7 141 185 -NE2_AB42_15 CB_AB42_20 1 0.000000e+00 6.338853e-06 ; 3.285962e-01 -6.338853e-06 7.910656e-03 9.148611e-03 0.000485 0.000060 True native_MD 7 141 186 +NE2_AB42_15 CB_AB42_20 1 0.000000e+00 6.338818e-06 ; 3.285961e-01 -6.338818e-06 7.910656e-03 9.148611e-03 0.000485 0.000060 True native_MD 7 141 186 NE2_AB42_15 CG_AB42_20 1 7.980278e-04 1.180671e-06 ; 3.375606e-01 1.348489e-01 5.731967e-03 5.615538e-03 0.000485 0.003309 True native_MD 7 141 187 NE2_AB42_15 CD1_AB42_20 1 5.196109e-04 5.224308e-07 ; 3.165132e-01 1.292015e-01 6.738744e-03 7.817412e-03 0.000485 0.003309 True native_MD 7 141 188 NE2_AB42_15 CD2_AB42_20 1 5.196109e-04 5.224308e-07 ; 3.165132e-01 1.292015e-01 6.738744e-03 7.817412e-03 0.000485 0.003309 True native_MD 7 141 189 @@ -32206,13 +32206,13 @@ NE2_AB42_15 C_AB42_20 1 8.502421e-04 1.283574e-06 ; 3.386983e-01 1.408006 NE2_AB42_15 O_AB42_20 1 1.609157e-04 5.236436e-08 ; 2.622645e-01 1.236234e-01 3.070667e-03 2.755117e-03 0.000485 0.002166 True native_MD 7 141 194 NE2_AB42_15 N_AB42_21 1 8.961046e-04 1.398950e-06 ; 3.405968e-01 1.435011e-01 5.172083e-03 2.559908e-03 0.000485 0.002166 True native_MD 7 141 195 NE2_AB42_15 CA_AB42_21 1 8.839074e-04 1.811003e-06 ; 3.563844e-01 1.078535e-01 8.842808e-03 7.861450e-03 0.000485 0.001339 True native_MD 7 141 197 -NE2_AB42_15 CB_AB42_21 1 0.000000e+00 4.727392e-06 ; 3.206615e-01 -4.727392e-06 7.225500e-03 7.960843e-03 0.000485 0.000060 True native_MD 7 141 198 +NE2_AB42_15 CB_AB42_21 1 0.000000e+00 4.727383e-06 ; 3.206614e-01 -4.727383e-06 7.225500e-03 7.960843e-03 0.000485 0.000060 True native_MD 7 141 198 NE2_AB42_15 C_AB42_21 1 6.549779e-04 7.724466e-07 ; 3.250426e-01 1.388433e-01 3.807003e-03 1.339594e-03 0.000485 0.002166 True native_MD 7 141 199 NE2_AB42_15 O_AB42_21 1 1.313098e-04 3.220949e-08 ; 2.501964e-01 1.338291e-01 3.276541e-03 1.482453e-03 0.000485 0.002166 True native_MD 7 141 200 NE2_AB42_15 N_AB42_22 1 9.511567e-04 1.580461e-06 ; 3.441560e-01 1.431068e-01 4.325090e-03 4.984068e-04 0.000485 0.002166 True native_MD 7 141 201 NE2_AB42_15 CA_AB42_22 1 1.158212e-03 2.259800e-06 ; 3.534926e-01 1.484043e-01 6.863297e-03 1.813097e-03 0.000485 0.001339 True native_MD 7 141 203 -NE2_AB42_15 CB_AB42_22 1 0.000000e+00 6.288639e-06 ; 3.283785e-01 -6.288639e-06 8.939439e-03 2.245911e-03 0.000485 0.000060 True native_MD 7 141 204 -NE2_AB42_15 CG_AB42_22 1 0.000000e+00 6.285923e-06 ; 3.283667e-01 -6.285923e-06 1.096504e-02 3.842502e-03 0.000485 0.000060 True native_MD 7 141 205 +NE2_AB42_15 CB_AB42_22 1 0.000000e+00 6.288604e-06 ; 3.283784e-01 -6.288604e-06 8.939439e-03 2.245911e-03 0.000485 0.000060 True native_MD 7 141 204 +NE2_AB42_15 CG_AB42_22 1 0.000000e+00 6.285888e-06 ; 3.283665e-01 -6.285888e-06 1.096504e-02 3.842502e-03 0.000485 0.000060 True native_MD 7 141 205 NE2_AB42_15 CD_AB42_22 1 5.413974e-04 5.915145e-07 ; 3.209284e-01 1.238816e-01 4.698707e-03 4.183296e-03 0.000485 0.002166 True native_MD 7 141 206 NE2_AB42_15 OE1_AB42_22 1 1.545337e-04 4.757606e-08 ; 2.598529e-01 1.254868e-01 3.410975e-03 2.894482e-03 0.000485 0.002166 True native_MD 7 141 207 NE2_AB42_15 OE2_AB42_22 1 1.545337e-04 4.757606e-08 ; 2.598529e-01 1.254868e-01 3.410975e-03 2.894482e-03 0.000485 0.002166 True native_MD 7 141 208 @@ -32220,7 +32220,7 @@ NE2_AB42_15 C_AB42_22 1 1.430221e-03 3.908359e-06 ; 3.739084e-01 1.308433 NE2_AB42_15 O_AB42_22 1 1.351460e-04 4.331583e-08 ; 2.616017e-01 1.054143e-01 1.399968e-03 6.635950e-04 0.000485 0.002166 True native_MD 7 141 210 NE2_AB42_15 N_AB42_23 1 6.381774e-04 9.077544e-07 ; 3.353548e-01 1.121643e-01 1.713346e-03 2.361673e-04 0.000485 0.002166 True native_MD 7 141 211 NE2_AB42_15 CA_AB42_23 1 2.345223e-03 1.016309e-05 ; 4.037758e-01 1.352952e-01 3.811517e-03 1.490596e-03 0.000485 0.001339 True native_MD 7 141 213 -NE2_AB42_15 CB_AB42_23 1 0.000000e+00 6.318097e-06 ; 3.285064e-01 -6.318097e-06 4.292327e-03 2.251685e-03 0.000485 0.000060 True native_MD 7 141 214 +NE2_AB42_15 CB_AB42_23 1 0.000000e+00 6.318061e-06 ; 3.285063e-01 -6.318061e-06 4.292327e-03 2.251685e-03 0.000485 0.000060 True native_MD 7 141 214 NE2_AB42_15 CG_AB42_23 1 5.191798e-04 4.975152e-07 ; 3.139892e-01 1.354470e-01 3.439081e-03 1.999217e-03 0.000485 0.002166 True native_MD 7 141 215 NE2_AB42_15 OD1_AB42_23 1 1.239670e-04 3.253228e-08 ; 2.530277e-01 1.180966e-01 2.046191e-03 1.406552e-03 0.000485 0.002166 True native_MD 7 141 216 NE2_AB42_15 OD2_AB42_23 1 1.239670e-04 3.253228e-08 ; 2.530277e-01 1.180966e-01 2.046191e-03 1.406552e-03 0.000485 0.002166 True native_MD 7 141 217 @@ -32228,9 +32228,9 @@ NE2_AB42_15 C_AB42_23 1 3.508429e-04 3.458458e-07 ; 3.154726e-01 8.897808 NE2_AB42_15 O_AB42_23 1 9.985773e-05 3.449095e-08 ; 2.648829e-01 7.227668e-02 5.193252e-04 7.242781e-04 0.000485 0.002166 True native_MD 7 141 219 NE2_AB42_15 N_AB42_24 1 4.417306e-04 5.375945e-07 ; 3.267505e-01 9.074030e-02 9.024120e-04 1.923445e-04 0.000485 0.002166 True native_MD 7 141 220 NE2_AB42_15 CA_AB42_24 1 1.525912e-03 4.795196e-06 ; 3.827185e-01 1.213928e-01 2.977724e-03 1.765355e-03 0.000485 0.001339 True native_MD 7 141 222 -NE2_AB42_15 CB_AB42_24 1 0.000000e+00 1.301102e-05 ; 3.488893e-01 -1.301102e-05 5.717177e-03 3.051681e-03 0.000485 0.000060 True native_MD 7 141 223 -NE2_AB42_15 CG1_AB42_24 1 0.000000e+00 4.712194e-06 ; 3.205755e-01 -4.712194e-06 4.792739e-03 2.310915e-03 0.000485 0.000060 True native_MD 7 141 224 -NE2_AB42_15 CG2_AB42_24 1 0.000000e+00 4.707896e-06 ; 3.205511e-01 -4.707896e-06 5.159117e-03 1.767317e-03 0.000485 0.000060 True native_MD 7 141 225 +NE2_AB42_15 CB_AB42_24 1 0.000000e+00 1.301110e-05 ; 3.488894e-01 -1.301110e-05 5.717177e-03 3.051681e-03 0.000485 0.000060 True native_MD 7 141 223 +NE2_AB42_15 CG1_AB42_24 1 0.000000e+00 4.712185e-06 ; 3.205754e-01 -4.712185e-06 4.792739e-03 2.310915e-03 0.000485 0.000060 True native_MD 7 141 224 +NE2_AB42_15 CG2_AB42_24 1 0.000000e+00 4.707887e-06 ; 3.205510e-01 -4.707887e-06 5.159117e-03 1.767317e-03 0.000485 0.000060 True native_MD 7 141 225 NE2_AB42_15 C_AB42_24 1 7.929191e-04 1.411539e-06 ; 3.481320e-01 1.113538e-01 1.672289e-03 5.415494e-04 0.000485 0.002166 True native_MD 7 141 226 NE2_AB42_15 O_AB42_24 1 1.375114e-04 4.441640e-08 ; 2.619394e-01 1.064325e-01 1.443280e-03 6.073203e-04 0.000485 0.002166 True native_MD 7 141 227 NE2_AB42_15 N_AB42_25 1 6.868194e-04 1.120947e-06 ; 3.431288e-01 1.052059e-01 1.391262e-03 7.607294e-04 0.000485 0.002166 True native_MD 7 141 228 @@ -32239,13 +32239,13 @@ NE2_AB42_15 C_AB42_25 1 6.666755e-04 8.112637e-07 ; 3.267442e-01 1.369641 NE2_AB42_15 O_AB42_25 1 1.527095e-04 4.441676e-08 ; 2.574029e-01 1.312579e-01 3.033880e-03 1.101755e-03 0.000485 0.002166 True native_MD 7 141 232 NE2_AB42_15 N_AB42_26 1 4.807233e-04 4.578318e-07 ; 3.136667e-01 1.261899e-01 2.606940e-03 5.601121e-04 0.000485 0.002166 True native_MD 7 141 233 NE2_AB42_15 CA_AB42_26 1 1.276050e-03 2.733666e-06 ; 3.590429e-01 1.489120e-01 9.044399e-03 2.353255e-03 0.000485 0.001339 True native_MD 7 141 235 -NE2_AB42_15 CB_AB42_26 1 0.000000e+00 6.282517e-06 ; 3.283519e-01 -6.282517e-06 1.018421e-02 2.523700e-03 0.000485 0.000060 True native_MD 7 141 236 +NE2_AB42_15 CB_AB42_26 1 0.000000e+00 6.282482e-06 ; 3.283517e-01 -6.282482e-06 1.018421e-02 2.523700e-03 0.000485 0.000060 True native_MD 7 141 236 NE2_AB42_15 OG_AB42_26 1 2.433720e-04 8.878718e-08 ; 2.673088e-01 1.667750e-01 8.782179e-03 1.438775e-03 0.000485 0.002166 True native_MD 7 141 237 NE2_AB42_15 C_AB42_26 1 7.968342e-04 1.167433e-06 ; 3.370109e-01 1.359703e-01 3.493362e-03 7.413569e-04 0.000485 0.002166 True native_MD 7 141 238 NE2_AB42_15 O_AB42_26 1 1.599973e-04 4.931896e-08 ; 2.599063e-01 1.297632e-01 2.901165e-03 8.604201e-04 0.000485 0.002166 True native_MD 7 141 239 NE2_AB42_15 N_AB42_27 1 9.311120e-04 1.812558e-06 ; 3.533580e-01 1.195782e-01 2.138954e-03 2.260162e-04 0.000485 0.002166 True native_MD 7 141 240 NE2_AB42_15 CA_AB42_27 1 1.944279e-03 6.024487e-06 ; 3.818214e-01 1.568691e-01 6.529175e-03 1.275069e-03 0.000485 0.001339 True native_MD 7 141 242 -NE2_AB42_15 CB_AB42_27 1 0.000000e+00 6.307571e-06 ; 3.284608e-01 -6.307571e-06 5.029458e-03 1.326228e-03 0.000485 0.000060 True native_MD 7 141 243 +NE2_AB42_15 CB_AB42_27 1 0.000000e+00 6.307535e-06 ; 3.284606e-01 -6.307535e-06 5.029458e-03 1.326228e-03 0.000485 0.000060 True native_MD 7 141 243 NE2_AB42_15 CG_AB42_27 1 8.766348e-04 1.464002e-06 ; 3.444455e-01 1.312308e-01 3.031418e-03 1.557994e-03 0.000485 0.002166 True native_MD 7 141 244 NE2_AB42_15 OD1_AB42_27 1 2.055248e-04 8.843969e-08 ; 2.747665e-01 1.194047e-01 2.127875e-03 8.329469e-04 0.000485 0.002166 True native_MD 7 141 245 NE2_AB42_15 ND2_AB42_27 1 4.846717e-04 4.598643e-07 ; 3.134707e-01 1.277044e-01 2.727812e-03 1.920268e-03 0.000485 0.002166 True native_MD 7 141 246 @@ -32253,10 +32253,10 @@ NE2_AB42_15 C_AB42_27 1 7.229503e-04 8.989129e-07 ; 3.279202e-01 1.453581 NE2_AB42_15 O_AB42_27 1 1.704354e-04 5.110937e-08 ; 2.587161e-01 1.420886e-01 4.195282e-03 6.976599e-04 0.000485 0.002166 True native_MD 7 141 248 NE2_AB42_15 N_AB42_28 1 6.073289e-04 6.732341e-07 ; 3.217044e-01 1.369689e-01 3.599333e-03 2.074182e-04 0.000485 0.002166 True native_MD 7 141 249 NE2_AB42_15 CA_AB42_28 1 1.431522e-03 3.109716e-06 ; 3.598768e-01 1.647461e-01 8.264822e-03 7.908288e-04 0.000485 0.001339 True native_MD 7 141 251 -NE2_AB42_15 CB_AB42_28 1 0.000000e+00 6.308041e-06 ; 3.284628e-01 -6.308041e-06 4.397569e-03 7.686733e-04 0.000485 0.000060 True native_MD 7 141 252 -NE2_AB42_15 CG_AB42_28 1 0.000000e+00 6.321837e-06 ; 3.285226e-01 -6.321837e-06 2.728665e-03 1.278902e-03 0.000485 0.000060 True native_MD 7 141 253 -NE2_AB42_15 CD_AB42_28 1 0.000000e+00 6.320356e-06 ; 3.285162e-01 -6.320356e-06 3.333506e-03 1.649693e-03 0.000485 0.000060 True native_MD 7 141 254 -NE2_AB42_15 CE_AB42_28 1 0.000000e+00 6.318134e-06 ; 3.285066e-01 -6.318134e-06 4.266929e-03 2.232166e-03 0.000485 0.000060 True native_MD 7 141 255 +NE2_AB42_15 CB_AB42_28 1 0.000000e+00 6.308006e-06 ; 3.284627e-01 -6.308006e-06 4.397569e-03 7.686733e-04 0.000485 0.000060 True native_MD 7 141 252 +NE2_AB42_15 CG_AB42_28 1 0.000000e+00 6.321802e-06 ; 3.285225e-01 -6.321802e-06 2.728665e-03 1.278902e-03 0.000485 0.000060 True native_MD 7 141 253 +NE2_AB42_15 CD_AB42_28 1 0.000000e+00 6.320320e-06 ; 3.285160e-01 -6.320320e-06 3.333506e-03 1.649693e-03 0.000485 0.000060 True native_MD 7 141 254 +NE2_AB42_15 CE_AB42_28 1 0.000000e+00 6.318098e-06 ; 3.285064e-01 -6.318098e-06 4.266929e-03 2.232166e-03 0.000485 0.000060 True native_MD 7 141 255 NE2_AB42_15 NZ_AB42_28 1 7.403002e-04 1.141731e-06 ; 3.399064e-01 1.200030e-01 2.166318e-03 1.258408e-03 0.000485 0.002166 True native_MD 7 141 256 NE2_AB42_15 C_AB42_28 1 6.808580e-04 7.503762e-07 ; 3.213935e-01 1.544451e-01 6.072320e-03 3.908201e-04 0.000485 0.002166 True native_MD 7 141 257 NE2_AB42_15 O_AB42_28 1 1.731457e-04 5.232788e-08 ; 2.590520e-01 1.432288e-01 4.340911e-03 3.227791e-04 0.000485 0.002166 True native_MD 7 141 258 @@ -32266,7 +32266,7 @@ NE2_AB42_15 C_AB42_29 1 7.906009e-04 1.004127e-06 ; 3.290828e-01 1.556202 NE2_AB42_15 O_AB42_29 1 1.589730e-04 4.396938e-08 ; 2.552532e-01 1.436933e-01 4.401672e-03 7.448236e-04 0.000485 0.002166 True native_MD 7 141 263 NE2_AB42_15 N_AB42_30 1 6.915086e-04 8.553850e-07 ; 3.276378e-01 1.397570e-01 3.912538e-03 4.272066e-04 0.000485 0.002166 True native_MD 7 141 264 NE2_AB42_15 CA_AB42_30 1 1.249402e-03 2.473025e-06 ; 3.543407e-01 1.578032e-01 1.105806e-02 2.205019e-03 0.000485 0.001339 True native_MD 7 141 266 -NE2_AB42_15 CB_AB42_30 1 0.000000e+00 4.693098e-06 ; 3.204670e-01 -4.693098e-06 8.256889e-03 1.732676e-03 0.000485 0.000060 True native_MD 7 141 267 +NE2_AB42_15 CB_AB42_30 1 0.000000e+00 4.693089e-06 ; 3.204669e-01 -4.693089e-06 8.256889e-03 1.732676e-03 0.000485 0.000060 True native_MD 7 141 267 NE2_AB42_15 C_AB42_30 1 8.009649e-04 1.048533e-06 ; 3.307461e-01 1.529624e-01 5.808778e-03 8.648439e-04 0.000485 0.002166 True native_MD 7 141 268 NE2_AB42_15 O_AB42_30 1 1.769221e-04 5.384540e-08 ; 2.593549e-01 1.453301e-01 4.622648e-03 1.003385e-03 0.000485 0.002166 True native_MD 7 141 269 NE2_AB42_15 N_AB42_31 1 8.358235e-04 1.278345e-06 ; 3.394342e-01 1.366221e-01 3.562179e-03 3.244324e-04 0.000485 0.002166 True native_MD 7 141 270 @@ -32348,30 +32348,30 @@ NE2_AB42_15 CB_AB42_42 1 3.525904e-04 4.399766e-07 ; 3.281153e-01 7.064011 NE2_AB42_15 C_AB42_42 1 3.410709e-04 2.292568e-07 ; 2.959690e-01 1.268548e-01 2.659338e-03 9.898105e-04 0.000485 0.002166 True native_MD 7 141 358 NE2_AB42_15 O1_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146e-01 1.395796e-03 7.216600e-04 0.000485 0.002166 True native_MD 7 141 359 NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146e-01 1.395796e-03 7.216600e-04 0.000485 0.002166 True native_MD 7 141 360 - C_AB42_15 CB_AB42_16 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 142 147 - C_AB42_15 CG_AB42_16 1 0.000000e+00 6.332005e-06 ; 3.285666e-01 -6.332005e-06 9.998849e-01 9.995761e-01 0.000485 0.000060 True native_MD 4 142 148 - C_AB42_15 CD_AB42_16 1 0.000000e+00 6.614091e-06 ; 3.297622e-01 -6.614091e-06 3.367181e-01 3.809447e-01 0.000485 0.000060 True native_MD 5 142 149 - C_AB42_15 CE_AB42_16 1 0.000000e+00 6.338102e-06 ; 3.285930e-01 -6.338102e-06 7.577804e-02 7.643176e-02 0.000485 0.000060 True native_MD 6 142 150 + C_AB42_15 CB_AB42_16 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 142 147 + C_AB42_15 CG_AB42_16 1 0.000000e+00 6.331899e-06 ; 3.285662e-01 -6.331899e-06 9.998849e-01 9.995761e-01 0.000485 0.000060 True native_MD 4 142 148 + C_AB42_15 CD_AB42_16 1 0.000000e+00 6.613980e-06 ; 3.297617e-01 -6.613980e-06 3.367181e-01 3.809447e-01 0.000485 0.000060 True native_MD 5 142 149 + C_AB42_15 CE_AB42_16 1 0.000000e+00 6.337995e-06 ; 3.285925e-01 -6.337995e-06 7.577804e-02 7.643176e-02 0.000485 0.000060 True native_MD 6 142 150 C_AB42_15 NZ_AB42_16 1 1.364798e-03 4.635920e-06 ; 3.877138e-01 1.004480e-01 7.520405e-03 1.350001e-02 0.000485 0.002166 True native_MD 7 142 151 - C_AB42_15 O_AB42_16 1 0.000000e+00 7.213846e-07 ; 2.741630e-01 -7.213846e-07 9.672823e-01 8.396335e-01 0.000485 0.000060 True native_MD 4 142 153 - C_AB42_15 N_AB42_17 1 0.000000e+00 1.507329e-06 ; 2.915272e-01 -1.507329e-06 9.836136e-01 9.830701e-01 0.000485 0.000060 True native_MD 4 142 154 - C_AB42_15 CA_AB42_17 1 0.000000e+00 1.305056e-05 ; 3.489775e-01 -1.305056e-05 8.967041e-01 8.966039e-01 0.000485 0.000060 True native_MD 5 142 156 - C_AB42_15 CB_AB42_17 1 0.000000e+00 6.504234e-06 ; 3.293022e-01 -6.504234e-06 2.257371e-01 2.526196e-01 0.000485 0.000060 True native_MD 6 142 157 - C_AB42_15 CG_AB42_17 1 0.000000e+00 1.144950e-05 ; 3.451919e-01 -1.144950e-05 3.467951e-01 2.240261e-01 0.000485 0.000060 True native_MD 7 142 158 - C_AB42_15 CD1_AB42_17 1 0.000000e+00 4.595880e-06 ; 3.199085e-01 -4.595880e-06 5.850774e-02 3.095109e-02 0.000485 0.000060 True native_MD 7 142 159 - C_AB42_15 CD2_AB42_17 1 0.000000e+00 4.075767e-06 ; 3.167226e-01 -4.075767e-06 1.837657e-01 4.615826e-02 0.000485 0.000060 True native_MD 7 142 160 - C_AB42_15 C_AB42_17 1 0.000000e+00 3.051817e-06 ; 3.091777e-01 -3.051817e-06 4.852702e-02 2.229487e-01 0.000485 0.000060 True native_MD 6 142 161 - C_AB42_15 O_AB42_17 1 0.000000e+00 9.400261e-07 ; 2.802786e-01 -9.400261e-07 3.523793e-02 1.719865e-01 0.000485 0.002166 True native_MD 7 142 162 - C_AB42_15 N_AB42_18 1 0.000000e+00 1.701114e-06 ; 2.944802e-01 -1.701114e-06 2.103086e-02 1.489795e-01 0.000485 0.002166 True native_MD 7 142 163 - C_AB42_15 CA_AB42_18 1 0.000000e+00 1.470992e-05 ; 3.524757e-01 -1.470992e-05 2.726251e-02 1.542981e-01 0.000485 0.001339 True native_MD 7 142 165 - C_AB42_15 CB_AB42_18 1 0.000000e+00 1.440837e-05 ; 3.518678e-01 -1.440837e-05 3.208957e-02 1.360213e-01 0.000485 0.000060 True native_MD 7 142 166 - C_AB42_15 CG1_AB42_18 1 0.000000e+00 4.903692e-06 ; 3.216414e-01 -4.903692e-06 1.309199e-02 5.066550e-02 0.000485 0.000060 True native_MD 7 142 167 - C_AB42_15 CG2_AB42_18 1 0.000000e+00 5.112488e-06 ; 3.227610e-01 -5.112488e-06 3.322538e-02 1.149780e-01 0.000485 0.000060 True native_MD 7 142 168 - C_AB42_15 C_AB42_18 1 0.000000e+00 2.646735e-06 ; 3.055302e-01 -2.646735e-06 2.790384e-03 2.132543e-02 0.000485 0.002166 True native_MD 7 142 169 - C_AB42_15 O_AB42_18 1 0.000000e+00 8.553857e-07 ; 2.780835e-01 -8.553857e-07 3.266741e-03 3.766186e-02 0.000485 0.002166 True native_MD 7 142 170 + C_AB42_15 O_AB42_16 1 0.000000e+00 7.213813e-07 ; 2.741629e-01 -7.213813e-07 9.672823e-01 8.396335e-01 0.000485 0.000060 True native_MD 4 142 153 + C_AB42_15 N_AB42_17 1 0.000000e+00 1.507308e-06 ; 2.915268e-01 -1.507308e-06 9.836136e-01 9.830701e-01 0.000485 0.000060 True native_MD 4 142 154 + C_AB42_15 CA_AB42_17 1 0.000000e+00 1.305049e-05 ; 3.489773e-01 -1.305049e-05 8.967041e-01 8.966039e-01 0.000485 0.000060 True native_MD 5 142 156 + C_AB42_15 CB_AB42_17 1 0.000000e+00 6.504125e-06 ; 3.293018e-01 -6.504125e-06 2.257371e-01 2.526196e-01 0.000485 0.000060 True native_MD 6 142 157 + C_AB42_15 CG_AB42_17 1 0.000000e+00 1.144944e-05 ; 3.451917e-01 -1.144944e-05 3.467951e-01 2.240261e-01 0.000485 0.000060 True native_MD 7 142 158 + C_AB42_15 CD1_AB42_17 1 0.000000e+00 4.595820e-06 ; 3.199081e-01 -4.595820e-06 5.850774e-02 3.095109e-02 0.000485 0.000060 True native_MD 7 142 159 + C_AB42_15 CD2_AB42_17 1 0.000000e+00 4.075714e-06 ; 3.167223e-01 -4.075714e-06 1.837657e-01 4.615826e-02 0.000485 0.000060 True native_MD 7 142 160 + C_AB42_15 C_AB42_17 1 0.000000e+00 3.051763e-06 ; 3.091773e-01 -3.051763e-06 4.852702e-02 2.229487e-01 0.000485 0.000060 True native_MD 6 142 161 + C_AB42_15 O_AB42_17 1 0.000000e+00 9.400218e-07 ; 2.802785e-01 -9.400218e-07 3.523793e-02 1.719865e-01 0.000485 0.002166 True native_MD 7 142 162 + C_AB42_15 N_AB42_18 1 0.000000e+00 1.701090e-06 ; 2.944799e-01 -1.701090e-06 2.103086e-02 1.489795e-01 0.000485 0.002166 True native_MD 7 142 163 + C_AB42_15 CA_AB42_18 1 0.000000e+00 1.470984e-05 ; 3.524755e-01 -1.470984e-05 2.726251e-02 1.542981e-01 0.000485 0.001339 True native_MD 7 142 165 + C_AB42_15 CB_AB42_18 1 0.000000e+00 1.440829e-05 ; 3.518677e-01 -1.440829e-05 3.208957e-02 1.360213e-01 0.000485 0.000060 True native_MD 7 142 166 + C_AB42_15 CG1_AB42_18 1 0.000000e+00 4.903628e-06 ; 3.216410e-01 -4.903628e-06 1.309199e-02 5.066550e-02 0.000485 0.000060 True native_MD 7 142 167 + C_AB42_15 CG2_AB42_18 1 0.000000e+00 5.112421e-06 ; 3.227606e-01 -5.112421e-06 3.322538e-02 1.149780e-01 0.000485 0.000060 True native_MD 7 142 168 + C_AB42_15 C_AB42_18 1 0.000000e+00 2.646688e-06 ; 3.055298e-01 -2.646688e-06 2.790384e-03 2.132543e-02 0.000485 0.002166 True native_MD 7 142 169 + C_AB42_15 O_AB42_18 1 0.000000e+00 8.553817e-07 ; 2.780834e-01 -8.553817e-07 3.266741e-03 3.766186e-02 0.000485 0.002166 True native_MD 7 142 170 C_AB42_15 N_AB42_19 1 8.630212e-04 2.528621e-06 ; 3.782774e-01 7.363754e-02 4.489806e-03 1.797904e-02 0.000485 0.002166 True native_MD 7 142 171 C_AB42_15 CA_AB42_19 1 3.420934e-03 3.019715e-05 ; 4.546078e-01 9.688654e-02 2.545128e-02 3.141558e-02 0.000485 0.001339 True native_MD 7 142 173 - C_AB42_15 CB_AB42_19 1 0.000000e+00 6.321383e-06 ; 3.285207e-01 -6.321383e-06 3.152851e-02 2.954268e-02 0.000485 0.000060 True native_MD 7 142 174 + C_AB42_15 CB_AB42_19 1 0.000000e+00 6.321277e-06 ; 3.285202e-01 -6.321277e-06 3.152851e-02 2.954268e-02 0.000485 0.000060 True native_MD 7 142 174 C_AB42_15 CG_AB42_19 1 1.411818e-03 4.191827e-06 ; 3.791148e-01 1.188760e-01 8.122282e-03 1.283349e-02 0.000485 0.003309 True native_MD 7 142 175 C_AB42_15 CD1_AB42_19 1 9.094965e-04 1.781355e-06 ; 3.537189e-01 1.160892e-01 1.277611e-02 2.194244e-02 0.000485 0.003309 True native_MD 7 142 176 C_AB42_15 CD2_AB42_19 1 9.094965e-04 1.781355e-06 ; 3.537189e-01 1.160892e-01 1.277611e-02 2.194244e-02 0.000485 0.003309 True native_MD 7 142 177 @@ -32382,7 +32382,7 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 C_AB42_15 O_AB42_19 1 7.229900e-04 7.660669e-07 ; 3.192928e-01 1.705838e-01 1.468848e-02 3.232527e-03 0.000485 0.002166 True native_MD 7 142 182 C_AB42_15 N_AB42_20 1 1.798871e-03 4.996287e-06 ; 3.749223e-01 1.619171e-01 7.593921e-03 8.442192e-04 0.000485 0.002166 True native_MD 7 142 183 C_AB42_15 CA_AB42_20 1 4.379046e-03 2.821478e-05 ; 4.313696e-01 1.699113e-01 1.694478e-02 2.351759e-03 0.000485 0.001339 True native_MD 7 142 185 - C_AB42_15 CB_AB42_20 1 0.000000e+00 6.271829e-06 ; 3.283053e-01 -6.271829e-06 1.376191e-02 3.952528e-03 0.000485 0.000060 True native_MD 7 142 186 + C_AB42_15 CB_AB42_20 1 0.000000e+00 6.271724e-06 ; 3.283048e-01 -6.271724e-06 1.376191e-02 3.952528e-03 0.000485 0.000060 True native_MD 7 142 186 C_AB42_15 CG_AB42_20 1 2.635686e-03 1.417433e-05 ; 4.185701e-01 1.225250e-01 2.336146e-03 1.144123e-03 0.000485 0.003309 True native_MD 7 142 187 C_AB42_15 CD1_AB42_20 1 1.629845e-03 4.651372e-06 ; 3.766221e-01 1.427748e-01 5.346529e-03 4.131748e-03 0.000485 0.003309 True native_MD 7 142 188 C_AB42_15 CD2_AB42_20 1 1.629845e-03 4.651372e-06 ; 3.766221e-01 1.427748e-01 5.346529e-03 4.131748e-03 0.000485 0.003309 True native_MD 7 142 189 @@ -32393,25 +32393,25 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 C_AB42_15 O_AB42_20 1 1.035606e-03 2.856152e-06 ; 3.744821e-01 9.387456e-02 9.911510e-04 2.550894e-04 0.000485 0.002166 True native_MD 7 142 194 C_AB42_15 N_AB42_21 1 1.121564e-03 1.916266e-06 ; 3.457578e-01 1.641089e-01 8.108707e-03 3.674702e-05 0.000485 0.002166 True native_MD 7 142 195 C_AB42_15 CA_AB42_21 1 2.800990e-03 1.281629e-05 ; 4.074507e-01 1.530386e-01 1.187381e-02 2.730463e-03 0.000485 0.001339 True native_MD 7 142 197 - C_AB42_15 CB_AB42_21 1 0.000000e+00 4.697641e-06 ; 3.204928e-01 -4.697641e-06 1.140424e-02 5.379185e-03 0.000485 0.000060 True native_MD 7 142 198 + C_AB42_15 CB_AB42_21 1 0.000000e+00 4.697579e-06 ; 3.204925e-01 -4.697579e-06 1.140424e-02 5.379185e-03 0.000485 0.000060 True native_MD 7 142 198 C_AB42_15 C_AB42_21 1 1.708520e-03 6.885348e-06 ; 3.989186e-01 1.059874e-01 1.424186e-03 1.021543e-04 0.000485 0.002166 True native_MD 7 142 199 C_AB42_15 O_AB42_21 1 2.705678e-04 2.014324e-07 ; 3.010525e-01 9.085789e-02 9.055934e-04 1.668358e-04 0.000485 0.002166 True native_MD 7 142 200 C_AB42_15 CA_AB42_22 1 2.080136e-03 1.345633e-05 ; 4.316574e-01 8.038904e-02 6.620230e-04 3.668493e-04 0.000485 0.001339 True native_MD 7 142 203 - C_AB42_15 CB_AB42_22 1 0.000000e+00 6.333085e-06 ; 3.285713e-01 -6.333085e-06 5.369879e-04 3.987561e-04 0.000485 0.000060 True native_MD 7 142 204 - C_AB42_15 CG_AB42_22 1 0.000000e+00 6.334244e-06 ; 3.285763e-01 -6.334244e-06 6.001000e-04 6.448508e-04 0.000485 0.000060 True native_MD 7 142 205 + C_AB42_15 CB_AB42_22 1 0.000000e+00 6.332979e-06 ; 3.285708e-01 -6.332979e-06 5.369879e-04 3.987561e-04 0.000485 0.000060 True native_MD 7 142 204 + C_AB42_15 CG_AB42_22 1 0.000000e+00 6.334138e-06 ; 3.285758e-01 -6.334138e-06 6.001000e-04 6.448508e-04 0.000485 0.000060 True native_MD 7 142 205 C_AB42_15 CD_AB42_22 1 1.512703e-03 6.611692e-06 ; 4.043522e-01 8.652367e-02 7.954314e-04 5.002901e-04 0.000485 0.002166 True native_MD 7 142 206 C_AB42_15 OE1_AB42_22 1 4.704896e-04 7.053485e-07 ; 3.383054e-01 7.845782e-02 6.248469e-04 5.184562e-04 0.000485 0.002166 True native_MD 7 142 207 C_AB42_15 OE2_AB42_22 1 4.704896e-04 7.053485e-07 ; 3.383054e-01 7.845782e-02 6.248469e-04 5.184562e-04 0.000485 0.002166 True native_MD 7 142 208 - C_AB42_15 CB_AB42_23 1 0.000000e+00 6.330281e-06 ; 3.285592e-01 -6.330281e-06 6.974743e-04 1.164650e-04 0.000485 0.000060 True native_MD 7 142 214 + C_AB42_15 CB_AB42_23 1 0.000000e+00 6.330175e-06 ; 3.285587e-01 -6.330175e-06 6.974743e-04 1.164650e-04 0.000485 0.000060 True native_MD 7 142 214 C_AB42_15 CA_AB42_24 1 1.777004e-03 7.598911e-06 ; 4.028813e-01 1.038881e-01 1.337464e-03 3.523325e-05 0.000485 0.001339 True native_MD 7 142 222 - C_AB42_15 CB_AB42_24 1 0.000000e+00 1.302462e-05 ; 3.489197e-01 -1.302462e-05 2.685699e-03 5.985233e-04 0.000485 0.000060 True native_MD 7 142 223 - C_AB42_15 CG1_AB42_24 1 0.000000e+00 4.720742e-06 ; 3.206239e-01 -4.720742e-06 2.074461e-03 9.374678e-04 0.000485 0.000060 True native_MD 7 142 224 - C_AB42_15 CG2_AB42_24 1 0.000000e+00 4.713951e-06 ; 3.205854e-01 -4.713951e-06 3.179643e-03 6.058175e-04 0.000485 0.000060 True native_MD 7 142 225 + C_AB42_15 CB_AB42_24 1 0.000000e+00 1.302456e-05 ; 3.489195e-01 -1.302456e-05 2.685699e-03 5.985233e-04 0.000485 0.000060 True native_MD 7 142 223 + C_AB42_15 CG1_AB42_24 1 0.000000e+00 4.720680e-06 ; 3.206235e-01 -4.720680e-06 2.074461e-03 9.374678e-04 0.000485 0.000060 True native_MD 7 142 224 + C_AB42_15 CG2_AB42_24 1 0.000000e+00 4.713890e-06 ; 3.205851e-01 -4.713890e-06 3.179643e-03 6.058175e-04 0.000485 0.000060 True native_MD 7 142 225 C_AB42_15 C_AB42_24 1 1.571846e-03 7.675148e-06 ; 4.118883e-01 8.047725e-02 6.637729e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 142 226 C_AB42_15 CA_AB42_25 1 2.300457e-03 1.373094e-05 ; 4.259066e-01 9.635359e-02 1.067478e-03 7.803208e-04 0.000485 0.001584 True native_MD 7 142 230 C_AB42_15 O_AB42_25 1 4.520157e-04 6.851717e-07 ; 3.389282e-01 7.454998e-02 5.558848e-04 2.467512e-04 0.000485 0.002166 True native_MD 7 142 232 C_AB42_15 CA_AB42_26 1 3.781788e-03 2.938851e-05 ; 4.450547e-01 1.216626e-01 2.276623e-03 5.241361e-04 0.000485 0.001339 True native_MD 7 142 235 - C_AB42_15 CB_AB42_26 1 0.000000e+00 6.317753e-06 ; 3.285049e-01 -6.317753e-06 3.247361e-03 6.883813e-04 0.000485 0.000060 True native_MD 7 142 236 + C_AB42_15 CB_AB42_26 1 0.000000e+00 6.317647e-06 ; 3.285045e-01 -6.317647e-06 3.247361e-03 6.883813e-04 0.000485 0.000060 True native_MD 7 142 236 C_AB42_15 OG_AB42_26 1 6.348874e-04 7.943832e-07 ; 3.282632e-01 1.268538e-01 2.659254e-03 5.266153e-04 0.000485 0.002166 True native_MD 7 142 237 C_AB42_15 C_AB42_26 1 1.537829e-03 8.200444e-06 ; 4.179794e-01 7.209729e-02 5.165448e-04 5.000429e-05 0.000485 0.002166 True native_MD 7 142 238 C_AB42_15 O_AB42_26 1 4.680018e-04 6.010836e-07 ; 3.296967e-01 9.109618e-02 9.120742e-04 1.617209e-04 0.000485 0.002166 True native_MD 7 142 239 @@ -32424,9 +32424,9 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 C_AB42_15 O_AB42_27 1 4.809838e-04 5.262704e-07 ; 3.210060e-01 1.098985e-01 1.601025e-03 5.002113e-05 0.000485 0.002166 True native_MD 7 142 248 C_AB42_15 CA_AB42_28 1 2.877924e-03 1.739466e-05 ; 4.267984e-01 1.190372e-01 2.104603e-03 7.403072e-05 0.000485 0.001339 True native_MD 7 142 251 C_AB42_15 CB_AB42_28 1 1.646151e-03 9.470302e-06 ; 4.233007e-01 7.153452e-02 8.657370e-04 1.017831e-04 0.000485 0.000060 True native_MD 7 142 252 - C_AB42_15 CG_AB42_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 142 253 - C_AB42_15 CD_AB42_28 1 0.000000e+00 6.331866e-06 ; 3.285660e-01 -6.331866e-06 6.096186e-04 2.788996e-04 0.000485 0.000060 True native_MD 7 142 254 - C_AB42_15 CE_AB42_28 1 0.000000e+00 6.332561e-06 ; 3.285690e-01 -6.332561e-06 6.948863e-04 4.738441e-04 0.000485 0.000060 True native_MD 7 142 255 + C_AB42_15 CG_AB42_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 142 253 + C_AB42_15 CD_AB42_28 1 0.000000e+00 6.331760e-06 ; 3.285656e-01 -6.331760e-06 6.096186e-04 2.788996e-04 0.000485 0.000060 True native_MD 7 142 254 + C_AB42_15 CE_AB42_28 1 0.000000e+00 6.332455e-06 ; 3.285686e-01 -6.332455e-06 6.948863e-04 4.738441e-04 0.000485 0.000060 True native_MD 7 142 255 C_AB42_15 C_AB42_28 1 1.523526e-03 7.538035e-06 ; 4.127952e-01 7.698070e-02 5.978277e-04 7.644008e-05 0.000485 0.002166 True native_MD 7 142 257 C_AB42_15 O_AB42_28 1 5.166554e-04 7.450193e-07 ; 3.361201e-01 8.957246e-02 8.714186e-04 6.720699e-05 0.000485 0.002166 True native_MD 7 142 258 C_AB42_15 CA_AB42_29 1 1.503488e-03 4.457022e-06 ; 3.790159e-01 1.267930e-01 2.654419e-03 2.663024e-04 0.000485 0.001584 True native_MD 7 142 261 @@ -32438,13 +32438,13 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 C_AB42_15 C_AB42_30 1 1.400761e-03 4.932015e-06 ; 3.900408e-01 9.945894e-02 1.171435e-03 6.316731e-06 0.000485 0.002166 True native_MD 7 142 268 C_AB42_15 O_AB42_30 1 6.458811e-04 1.045753e-06 ; 3.426726e-01 9.972779e-02 1.180898e-03 4.840956e-05 0.000485 0.002166 True native_MD 7 142 269 C_AB42_15 CA_AB42_31 1 2.109011e-03 1.292385e-05 ; 4.277784e-01 8.604106e-02 7.840261e-04 4.875051e-05 0.000485 0.001339 True native_MD 7 142 272 - C_AB42_15 CB_AB42_31 1 0.000000e+00 1.303025e-05 ; 3.489322e-01 -1.303025e-05 1.964291e-03 3.084341e-04 0.000485 0.000060 True native_MD 7 142 273 + C_AB42_15 CB_AB42_31 1 0.000000e+00 1.303019e-05 ; 3.489321e-01 -1.303019e-05 1.964291e-03 3.084341e-04 0.000485 0.000060 True native_MD 7 142 273 C_AB42_15 CG1_AB42_31 1 1.658160e-03 7.125298e-06 ; 4.032083e-01 9.646942e-02 2.099866e-03 1.170606e-04 0.000485 0.000060 True native_MD 7 142 274 - C_AB42_15 CG2_AB42_31 1 0.000000e+00 4.718123e-06 ; 3.206090e-01 -4.718123e-06 2.030201e-03 3.391302e-04 0.000485 0.000060 True native_MD 7 142 275 + C_AB42_15 CG2_AB42_31 1 0.000000e+00 4.718062e-06 ; 3.206087e-01 -4.718062e-06 2.030201e-03 3.391302e-04 0.000485 0.000060 True native_MD 7 142 275 C_AB42_15 CD_AB42_31 1 7.121403e-04 1.701270e-06 ; 3.656239e-01 7.452428e-02 4.325276e-03 4.649932e-04 0.000485 0.000060 True native_MD 7 142 276 C_AB42_15 O_AB42_31 1 4.416224e-04 6.137329e-07 ; 3.340576e-01 7.944432e-02 6.435685e-04 9.844727e-05 0.000485 0.002166 True native_MD 7 142 278 C_AB42_15 CA_AB42_32 1 2.207943e-03 1.294105e-05 ; 4.246166e-01 9.417728e-02 1.000171e-03 2.988157e-04 0.000485 0.001339 True native_MD 7 142 281 - C_AB42_15 CB_AB42_32 1 0.000000e+00 1.303170e-05 ; 3.489355e-01 -1.303170e-05 1.828037e-03 2.832655e-04 0.000485 0.000060 True native_MD 7 142 282 + C_AB42_15 CB_AB42_32 1 0.000000e+00 1.303164e-05 ; 3.489353e-01 -1.303164e-05 1.828037e-03 2.832655e-04 0.000485 0.000060 True native_MD 7 142 282 C_AB42_15 CG1_AB42_32 1 2.141198e-03 1.103353e-05 ; 4.156007e-01 1.038818e-01 2.622222e-03 1.170989e-04 0.000485 0.000060 True native_MD 7 142 283 C_AB42_15 CG2_AB42_32 1 9.366442e-04 2.730673e-06 ; 3.779629e-01 8.031926e-02 2.893215e-03 2.615159e-04 0.000485 0.000060 True native_MD 7 142 284 C_AB42_15 CD_AB42_32 1 1.098044e-03 3.072450e-06 ; 3.753855e-01 9.810580e-02 5.745390e-03 3.049799e-04 0.000485 0.000060 True native_MD 7 142 285 @@ -32510,16 +32510,16 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 C_AB42_15 CB_AB42_42 1 1.333741e-03 4.471658e-06 ; 3.868710e-01 9.945225e-02 2.995462e-03 1.527271e-04 0.000485 0.000060 True native_MD 7 142 357 O_AB42_15 O_AB42_15 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 143 143 O_AB42_15 H_AB42_16 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 143 145 - O_AB42_15 CB_AB42_16 1 0.000000e+00 2.015621e-06 ; 2.986729e-01 -2.015621e-06 9.999986e-01 9.999813e-01 0.000485 0.000060 True native_MD 4 143 147 - O_AB42_15 CG_AB42_16 1 0.000000e+00 2.073923e-06 ; 2.993834e-01 -2.073923e-06 5.919192e-01 6.208261e-01 0.000485 0.000060 True native_MD 5 143 148 - O_AB42_15 CD_AB42_16 1 0.000000e+00 2.010323e-06 ; 2.986073e-01 -2.010323e-06 1.222260e-01 1.195802e-01 0.000485 0.000060 True native_MD 6 143 149 + O_AB42_15 CB_AB42_16 1 0.000000e+00 2.015614e-06 ; 2.986728e-01 -2.015614e-06 9.999986e-01 9.999813e-01 0.000485 0.000060 True native_MD 4 143 147 + O_AB42_15 CG_AB42_16 1 0.000000e+00 2.073915e-06 ; 2.993833e-01 -2.073915e-06 5.919192e-01 6.208261e-01 0.000485 0.000060 True native_MD 5 143 148 + O_AB42_15 CD_AB42_16 1 0.000000e+00 2.010316e-06 ; 2.986073e-01 -2.010316e-06 1.222260e-01 1.195802e-01 0.000485 0.000060 True native_MD 6 143 149 O_AB42_15 CE_AB42_16 1 6.862936e-04 1.256114e-06 ; 3.497463e-01 9.374128e-02 2.234469e-02 2.694739e-02 0.000485 0.001191 True native_MD 7 143 150 - O_AB42_15 NZ_AB42_16 1 0.000000e+00 4.823922e-07 ; 2.651215e-01 -4.823922e-07 1.369773e-03 6.483036e-03 0.000485 0.002166 True native_MD 7 143 151 - O_AB42_15 C_AB42_16 1 0.000000e+00 8.233939e-07 ; 2.772015e-01 -8.233939e-07 9.999247e-01 9.956330e-01 0.000485 0.000060 True native_MD 4 143 152 + O_AB42_15 NZ_AB42_16 1 0.000000e+00 4.823917e-07 ; 2.651215e-01 -4.823917e-07 1.369773e-03 6.483036e-03 0.000485 0.002166 True native_MD 7 143 151 + O_AB42_15 C_AB42_16 1 0.000000e+00 8.233901e-07 ; 2.772014e-01 -8.233901e-07 9.999247e-01 9.956330e-01 0.000485 0.000060 True native_MD 4 143 152 O_AB42_15 O_AB42_16 1 0.000000e+00 1.377023e-06 ; 2.893389e-01 -1.377023e-06 9.207970e-01 8.388125e-01 0.000485 0.000060 True native_MD 5 143 153 O_AB42_15 N_AB42_17 1 0.000000e+00 1.449770e-06 ; 2.905828e-01 -1.449770e-06 9.432756e-01 9.097892e-01 0.000485 0.000060 True native_MD 5 143 154 - O_AB42_15 H_AB42_17 1 0.000000e+00 1.513998e-08 ; 1.986882e-01 -1.513998e-08 2.066891e-01 1.824422e-01 0.000485 0.000060 True native_MD 6 143 155 - O_AB42_15 CA_AB42_17 1 0.000000e+00 3.728421e-06 ; 3.143804e-01 -3.728421e-06 6.937042e-01 5.913629e-01 0.000485 0.000060 True native_MD 6 143 156 + O_AB42_15 H_AB42_17 1 0.000000e+00 1.514022e-08 ; 1.986885e-01 -1.514022e-08 2.066891e-01 1.824422e-01 0.000485 0.000060 True native_MD 6 143 155 + O_AB42_15 CA_AB42_17 1 0.000000e+00 3.728450e-06 ; 3.143806e-01 -3.728450e-06 6.937042e-01 5.913629e-01 0.000485 0.000060 True native_MD 6 143 156 O_AB42_15 CB_AB42_17 1 1.491051e-03 4.091745e-06 ; 3.741703e-01 1.358365e-01 2.314015e-01 7.917926e-02 0.000485 0.001191 True native_MD 7 143 157 O_AB42_15 CG_AB42_17 1 8.400220e-04 1.348798e-06 ; 3.421969e-01 1.307900e-01 3.849731e-01 1.532019e-01 0.000485 0.001191 True native_MD 7 143 158 O_AB42_15 CD1_AB42_17 1 6.238765e-04 7.382634e-07 ; 3.252261e-01 1.318032e-01 9.410637e-02 3.633149e-02 0.000485 0.001191 True native_MD 7 143 159 @@ -32528,11 +32528,11 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 O_AB42_15 O_AB42_17 1 0.000000e+00 1.747611e-06 ; 2.951427e-01 -1.747611e-06 6.924912e-02 2.343234e-01 0.000485 0.000060 True native_MD 7 143 162 O_AB42_15 N_AB42_18 1 0.000000e+00 1.728700e-06 ; 2.948752e-01 -1.728700e-06 3.172745e-02 1.841940e-01 0.000485 0.002166 True native_MD 7 143 163 O_AB42_15 H_AB42_18 1 7.987375e-06 1.867738e-10 ; 1.691033e-01 8.539493e-02 1.252176e-02 8.655979e-02 0.000485 0.005316 True native_MD 7 143 164 - O_AB42_15 CA_AB42_18 1 0.000000e+00 4.687923e-06 ; 3.204375e-01 -4.687923e-06 2.484494e-02 1.535146e-01 0.000485 0.001339 True native_MD 7 143 165 - O_AB42_15 CB_AB42_18 1 0.000000e+00 4.617630e-06 ; 3.200344e-01 -4.617630e-06 3.098965e-02 1.427355e-01 0.000485 0.001191 True native_MD 7 143 166 + O_AB42_15 CA_AB42_18 1 0.000000e+00 4.687960e-06 ; 3.204377e-01 -4.687960e-06 2.484494e-02 1.535146e-01 0.000485 0.001339 True native_MD 7 143 165 + O_AB42_15 CB_AB42_18 1 0.000000e+00 4.617667e-06 ; 3.200346e-01 -4.617667e-06 3.098965e-02 1.427355e-01 0.000485 0.001191 True native_MD 7 143 166 O_AB42_15 CG1_AB42_18 1 0.000000e+00 1.574211e-06 ; 2.925838e-01 -1.574211e-06 1.337790e-02 6.006673e-02 0.000485 0.001191 True native_MD 7 143 167 O_AB42_15 CG2_AB42_18 1 0.000000e+00 1.632588e-06 ; 2.934729e-01 -1.632588e-06 3.035082e-02 1.158544e-01 0.000485 0.001191 True native_MD 7 143 168 - O_AB42_15 C_AB42_18 1 0.000000e+00 8.683612e-07 ; 2.784326e-01 -8.683612e-07 6.246350e-03 5.633240e-02 0.000485 0.002166 True native_MD 7 143 169 + O_AB42_15 C_AB42_18 1 0.000000e+00 8.683571e-07 ; 2.784325e-01 -8.683571e-07 6.246350e-03 5.633240e-02 0.000485 0.002166 True native_MD 7 143 169 O_AB42_15 O_AB42_18 1 0.000000e+00 1.619664e-06 ; 2.932786e-01 -1.619664e-06 1.100265e-02 9.077834e-02 0.000485 0.000060 True native_MD 7 143 170 O_AB42_15 N_AB42_19 1 1.393645e-04 6.239954e-08 ; 2.765911e-01 7.781497e-02 1.693619e-02 5.985128e-02 0.000485 0.002166 True native_MD 7 143 171 O_AB42_15 H_AB42_19 1 5.309222e-06 8.503986e-11 ; 1.587688e-01 8.286654e-02 3.201821e-03 2.387308e-02 0.000485 0.005316 True native_MD 7 143 172 @@ -32706,27 +32706,27 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 O_AB42_15 CB_AB42_42 1 5.552448e-04 5.982455e-07 ; 3.201837e-01 1.288337e-01 2.821580e-03 1.999825e-04 0.000485 0.001191 True native_MD 7 143 357 O_AB42_15 O1_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 143 359 O_AB42_15 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 143 360 - N_AB42_16 CB_AB42_16 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 147 - N_AB42_16 CG_AB42_16 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 148 - N_AB42_16 CD_AB42_16 1 0.000000e+00 3.685021e-06 ; 3.140738e-01 -3.685021e-06 9.561036e-01 9.585353e-01 0.000485 0.000060 True native_MD 4 144 149 - N_AB42_16 CE_AB42_16 1 0.000000e+00 4.028112e-06 ; 3.164124e-01 -4.028112e-06 1.938533e-01 2.896157e-01 0.000485 0.000060 True native_MD 5 144 150 - N_AB42_16 NZ_AB42_16 1 0.000000e+00 8.887892e-07 ; 2.789726e-01 -8.887892e-07 8.855826e-03 2.427378e-02 0.000485 0.000060 True native_MD 6 144 151 - N_AB42_16 CA_AB42_17 1 0.000000e+00 7.574949e-06 ; 3.335109e-01 -7.574949e-06 9.999976e-01 9.999915e-01 0.000485 0.000060 True native_MD 4 144 156 - N_AB42_16 CB_AB42_17 1 0.000000e+00 4.587931e-06 ; 3.198623e-01 -4.587931e-06 2.021644e-01 4.502137e-01 0.000485 0.000060 True native_MD 5 144 157 - N_AB42_16 CG_AB42_17 1 0.000000e+00 8.248728e-06 ; 3.358876e-01 -8.248728e-06 2.716497e-01 3.605915e-01 0.000485 0.000060 True native_MD 6 144 158 - N_AB42_16 CD1_AB42_17 1 0.000000e+00 2.793148e-06 ; 3.069042e-01 -2.793148e-06 1.107308e-02 2.938270e-02 0.000485 0.000060 True native_MD 7 144 159 - N_AB42_16 CD2_AB42_17 1 0.000000e+00 2.660364e-06 ; 3.056610e-01 -2.660364e-06 5.540284e-02 2.530293e-02 0.000485 0.000060 True native_MD 7 144 160 - N_AB42_16 C_AB42_17 1 0.000000e+00 1.629642e-06 ; 2.934288e-01 -1.629642e-06 4.787191e-02 1.284295e-01 0.000485 0.000060 True native_MD 5 144 161 + N_AB42_16 CB_AB42_16 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 147 + N_AB42_16 CG_AB42_16 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 148 + N_AB42_16 CD_AB42_16 1 0.000000e+00 3.684972e-06 ; 3.140734e-01 -3.684972e-06 9.561036e-01 9.585353e-01 0.000485 0.000060 True native_MD 4 144 149 + N_AB42_16 CE_AB42_16 1 0.000000e+00 4.028059e-06 ; 3.164120e-01 -4.028059e-06 1.938533e-01 2.896157e-01 0.000485 0.000060 True native_MD 5 144 150 + N_AB42_16 NZ_AB42_16 1 0.000000e+00 8.887799e-07 ; 2.789724e-01 -8.887799e-07 8.855826e-03 2.427378e-02 0.000485 0.000060 True native_MD 6 144 151 + N_AB42_16 CA_AB42_17 1 0.000000e+00 7.574937e-06 ; 3.335108e-01 -7.574937e-06 9.999976e-01 9.999915e-01 0.000485 0.000060 True native_MD 4 144 156 + N_AB42_16 CB_AB42_17 1 0.000000e+00 4.587871e-06 ; 3.198620e-01 -4.587871e-06 2.021644e-01 4.502137e-01 0.000485 0.000060 True native_MD 5 144 157 + N_AB42_16 CG_AB42_17 1 0.000000e+00 8.248716e-06 ; 3.358875e-01 -8.248716e-06 2.716497e-01 3.605915e-01 0.000485 0.000060 True native_MD 6 144 158 + N_AB42_16 CD1_AB42_17 1 0.000000e+00 2.793122e-06 ; 3.069040e-01 -2.793122e-06 1.107308e-02 2.938270e-02 0.000485 0.000060 True native_MD 7 144 159 + N_AB42_16 CD2_AB42_17 1 0.000000e+00 2.660339e-06 ; 3.056608e-01 -2.660339e-06 5.540284e-02 2.530293e-02 0.000485 0.000060 True native_MD 7 144 160 + N_AB42_16 C_AB42_17 1 0.000000e+00 1.629619e-06 ; 2.934284e-01 -1.629619e-06 4.787191e-02 1.284295e-01 0.000485 0.000060 True native_MD 5 144 161 N_AB42_16 O_AB42_17 1 0.000000e+00 1.755495e-06 ; 2.952534e-01 -1.755495e-06 5.874864e-02 2.290784e-01 0.000485 0.000060 True native_MD 6 144 162 - N_AB42_16 N_AB42_18 1 0.000000e+00 9.194958e-07 ; 2.797633e-01 -9.194958e-07 1.119980e-02 6.169912e-02 0.000485 0.000060 True native_MD 6 144 163 + N_AB42_16 N_AB42_18 1 0.000000e+00 9.194861e-07 ; 2.797631e-01 -9.194861e-07 1.119980e-02 6.169912e-02 0.000485 0.000060 True native_MD 6 144 163 N_AB42_16 CA_AB42_18 1 2.862974e-03 2.827558e-05 ; 4.631970e-01 7.247083e-02 7.789704e-03 1.996571e-02 0.000485 0.001339 True native_MD 7 144 165 - N_AB42_16 CB_AB42_18 1 0.000000e+00 7.613500e-06 ; 3.336520e-01 -7.613500e-06 1.113211e-02 1.621532e-02 0.000485 0.000060 True native_MD 7 144 166 - N_AB42_16 CG1_AB42_18 1 0.000000e+00 2.753409e-06 ; 3.065379e-01 -2.753409e-06 6.403407e-03 1.022522e-02 0.000485 0.000060 True native_MD 7 144 167 - N_AB42_16 CG2_AB42_18 1 0.000000e+00 2.778825e-06 ; 3.067727e-01 -2.778825e-06 1.598990e-02 2.907759e-02 0.000485 0.000060 True native_MD 7 144 168 + N_AB42_16 CB_AB42_18 1 0.000000e+00 7.613488e-06 ; 3.336519e-01 -7.613488e-06 1.113211e-02 1.621532e-02 0.000485 0.000060 True native_MD 7 144 166 + N_AB42_16 CG1_AB42_18 1 0.000000e+00 2.753383e-06 ; 3.065377e-01 -2.753383e-06 6.403407e-03 1.022522e-02 0.000485 0.000060 True native_MD 7 144 167 + N_AB42_16 CG2_AB42_18 1 0.000000e+00 2.778798e-06 ; 3.067725e-01 -2.778798e-06 1.598990e-02 2.907759e-02 0.000485 0.000060 True native_MD 7 144 168 N_AB42_16 O_AB42_18 1 0.000000e+00 1.520064e-06 ; 2.917316e-01 -1.520064e-06 2.880068e-03 1.625585e-02 0.000485 0.002166 True native_MD 7 144 170 - N_AB42_16 N_AB42_19 1 0.000000e+00 8.739786e-07 ; 2.785822e-01 -8.739786e-07 1.810904e-03 3.080944e-04 0.000485 0.000060 True native_MD 7 144 171 + N_AB42_16 N_AB42_19 1 0.000000e+00 8.739694e-07 ; 2.785820e-01 -8.739694e-07 1.810904e-03 3.080944e-04 0.000485 0.000060 True native_MD 7 144 171 N_AB42_16 CA_AB42_19 1 3.287770e-03 2.083655e-05 ; 4.301838e-01 1.296932e-01 8.697654e-03 4.022224e-03 0.000485 0.001339 True native_MD 7 144 173 - N_AB42_16 CB_AB42_19 1 0.000000e+00 3.649728e-06 ; 3.138220e-01 -3.649728e-06 1.819873e-02 1.102969e-02 0.000485 0.000060 True native_MD 7 144 174 + N_AB42_16 CB_AB42_19 1 0.000000e+00 3.649680e-06 ; 3.138216e-01 -3.649680e-06 1.819873e-02 1.102969e-02 0.000485 0.000060 True native_MD 7 144 174 N_AB42_16 CG_AB42_19 1 1.309216e-03 3.329261e-06 ; 3.694504e-01 1.287108e-01 2.811216e-03 1.340153e-03 0.000485 0.003309 True native_MD 7 144 175 N_AB42_16 CD1_AB42_19 1 7.820196e-04 1.152323e-06 ; 3.373335e-01 1.326787e-01 7.226496e-03 7.554620e-03 0.000485 0.003309 True native_MD 7 144 176 N_AB42_16 CD2_AB42_19 1 7.820196e-04 1.152323e-06 ; 3.373335e-01 1.326787e-01 7.226496e-03 7.554620e-03 0.000485 0.003309 True native_MD 7 144 177 @@ -32753,20 +32753,20 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 N_AB42_16 O_AB42_21 1 1.733836e-04 6.420986e-08 ; 2.679779e-01 1.170454e-01 1.982821e-03 7.422698e-05 0.000485 0.002166 True native_MD 7 144 200 N_AB42_16 N_AB42_22 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 7.590459e-06 0.000000e+00 0.000485 0.000060 True native_MD 7 144 201 N_AB42_16 CA_AB42_22 1 2.235413e-03 1.579920e-05 ; 4.380727e-01 7.907159e-02 6.364300e-04 7.375668e-05 0.000485 0.001339 True native_MD 7 144 203 - N_AB42_16 CB_AB42_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 204 - N_AB42_16 CG_AB42_22 1 0.000000e+00 3.673516e-06 ; 3.139919e-01 -3.673516e-06 8.926367e-04 1.947047e-04 0.000485 0.000060 True native_MD 7 144 205 + N_AB42_16 CB_AB42_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 204 + N_AB42_16 CG_AB42_22 1 0.000000e+00 3.673468e-06 ; 3.139916e-01 -3.673468e-06 8.926367e-04 1.947047e-04 0.000485 0.000060 True native_MD 7 144 205 N_AB42_16 CD_AB42_22 1 6.127980e-04 1.035069e-06 ; 3.450976e-01 9.069962e-02 9.013142e-04 2.849456e-04 0.000485 0.002166 True native_MD 7 144 206 N_AB42_16 OE1_AB42_22 1 1.449212e-04 5.102428e-08 ; 2.657301e-01 1.029028e-01 1.298603e-03 5.305162e-04 0.000485 0.002166 True native_MD 7 144 207 N_AB42_16 OE2_AB42_22 1 1.449212e-04 5.102428e-08 ; 2.657301e-01 1.029028e-01 1.298603e-03 5.305162e-04 0.000485 0.002166 True native_MD 7 144 208 N_AB42_16 N_AB42_23 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.274823e-06 0.000000e+00 0.000485 0.000060 True native_MD 7 144 211 - N_AB42_16 CB_AB42_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 214 + N_AB42_16 CB_AB42_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 214 N_AB42_16 OD1_AB42_23 1 9.151332e-05 2.728872e-08 ; 2.584738e-01 7.672297e-02 5.932345e-04 3.035031e-04 0.000485 0.002166 True native_MD 7 144 216 N_AB42_16 OD2_AB42_23 1 9.151332e-05 2.728872e-08 ; 2.584738e-01 7.672297e-02 5.932345e-04 3.035031e-04 0.000485 0.002166 True native_MD 7 144 217 N_AB42_16 O_AB42_23 1 1.106183e-03 3.626929e-06 ; 3.854357e-01 8.434418e-02 7.452065e-04 4.722854e-05 0.000485 0.002166 True native_MD 7 144 219 N_AB42_16 N_AB42_24 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 144 220 N_AB42_16 CA_AB42_24 1 2.674733e-03 1.830040e-05 ; 4.357092e-01 9.773279e-02 1.112459e-03 4.384309e-05 0.000485 0.001339 True native_MD 7 144 222 N_AB42_16 CB_AB42_24 1 2.023480e-03 1.367070e-05 ; 4.347924e-01 7.487677e-02 1.629549e-03 1.733481e-04 0.000485 0.000060 True native_MD 7 144 223 - N_AB42_16 CG1_AB42_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 224 + N_AB42_16 CG1_AB42_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 224 N_AB42_16 CG2_AB42_24 1 3.997869e-04 5.353531e-07 ; 3.319979e-01 7.463746e-02 2.270823e-03 2.433017e-04 0.000485 0.000060 True native_MD 7 144 225 N_AB42_16 O_AB42_24 1 1.035725e-04 3.717229e-08 ; 2.665810e-01 7.214562e-02 5.172923e-04 4.984510e-05 0.000485 0.002166 True native_MD 7 144 227 N_AB42_16 N_AB42_25 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.358155e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 144 228 @@ -32788,9 +32788,9 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 N_AB42_16 N_AB42_28 1 1.004920e-03 2.757981e-06 ; 3.741766e-01 9.154026e-02 9.242760e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 144 249 N_AB42_16 CA_AB42_28 1 1.128042e-03 2.480276e-06 ; 3.606028e-01 1.282598e-01 2.773529e-03 4.745600e-05 0.000485 0.001339 True native_MD 7 144 251 N_AB42_16 CB_AB42_28 1 1.250772e-03 3.541016e-06 ; 3.761187e-01 1.104507e-01 1.627699e-03 0.000000e+00 0.000485 0.000060 True native_MD 7 144 252 - N_AB42_16 CG_AB42_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 253 - N_AB42_16 CD_AB42_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 254 - N_AB42_16 CE_AB42_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 255 + N_AB42_16 CG_AB42_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 253 + N_AB42_16 CD_AB42_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 254 + N_AB42_16 CE_AB42_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 255 N_AB42_16 NZ_AB42_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.700587e-04 6.035171e-05 0.000485 0.000060 True native_MD 7 144 256 N_AB42_16 C_AB42_28 1 6.409135e-04 1.224921e-06 ; 3.522774e-01 8.383605e-02 7.339606e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 144 257 N_AB42_16 O_AB42_28 1 9.556718e-05 2.458965e-08 ; 2.521974e-01 9.285499e-02 9.613661e-04 1.323681e-04 0.000485 0.002166 True native_MD 7 144 258 @@ -32813,7 +32813,7 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 N_AB42_16 O_AB42_31 1 1.045621e-04 3.349419e-08 ; 2.615768e-01 8.160550e-02 6.865670e-04 1.454566e-04 0.000485 0.002166 True native_MD 7 144 278 N_AB42_16 N_AB42_32 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 8.474563e-05 0.000000e+00 0.000485 0.000060 True native_MD 7 144 279 N_AB42_16 CA_AB42_32 1 2.592460e-03 1.955938e-05 ; 4.428675e-01 8.590312e-02 7.807963e-04 1.060552e-04 0.000485 0.001339 True native_MD 7 144 281 - N_AB42_16 CB_AB42_32 1 0.000000e+00 7.568283e-06 ; 3.334864e-01 -7.568283e-06 1.035253e-03 1.491611e-04 0.000485 0.000060 True native_MD 7 144 282 + N_AB42_16 CB_AB42_32 1 0.000000e+00 7.568271e-06 ; 3.334863e-01 -7.568271e-06 1.035253e-03 1.491611e-04 0.000485 0.000060 True native_MD 7 144 282 N_AB42_16 CG1_AB42_32 1 1.257219e-03 3.903552e-06 ; 3.819514e-01 1.012283e-01 1.235135e-03 4.884402e-07 0.000485 0.000060 True native_MD 7 144 283 N_AB42_16 CG2_AB42_32 1 8.834146e-04 2.216928e-06 ; 3.686361e-01 8.800708e-02 1.391946e-03 9.995942e-05 0.000485 0.000060 True native_MD 7 144 284 N_AB42_16 CD_AB42_32 1 1.115212e-03 2.144634e-06 ; 3.526409e-01 1.449778e-01 4.574157e-03 4.938336e-05 0.000485 0.000060 True native_MD 7 144 285 @@ -32878,7 +32878,7 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 N_AB42_16 CA_AB42_42 1 2.427844e-03 1.256412e-05 ; 4.158965e-01 1.172868e-01 1.997200e-03 4.995093e-05 0.000485 0.001339 True native_MD 7 144 356 N_AB42_16 CB_AB42_42 1 8.124097e-04 1.767275e-06 ; 3.599605e-01 9.336542e-02 1.591209e-03 9.733927e-05 0.000485 0.000060 True native_MD 7 144 357 H_AB42_16 H_AB42_16 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 145 - H_AB42_16 O_AB42_16 1 0.000000e+00 1.166849e-08 ; 1.944224e-01 -1.166849e-08 4.832336e-01 2.352533e-01 0.000485 0.000060 True native_MD 4 145 153 + H_AB42_16 O_AB42_16 1 0.000000e+00 1.166867e-08 ; 1.944226e-01 -1.166867e-08 4.832336e-01 2.352533e-01 0.000485 0.000060 True native_MD 4 145 153 H_AB42_16 H_AB42_17 1 0.000000e+00 1.743436e-08 ; 2.010383e-01 -1.743436e-08 1.751163e-01 6.279798e-01 0.000485 0.000060 True native_MD 5 145 155 H_AB42_16 O_AB42_17 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 162 H_AB42_16 H_AB42_18 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 164 @@ -32938,21 +32938,21 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 H_AB42_16 H_AB42_42 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 355 H_AB42_16 O1_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 359 H_AB42_16 O2_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 360 - CA_AB42_16 CE_AB42_16 1 0.000000e+00 3.181377e-05 ; 3.758774e-01 -3.181377e-05 9.999936e-01 9.999972e-01 0.000485 0.000060 True native_MD 4 146 150 - CA_AB42_16 NZ_AB42_16 1 0.000000e+00 9.014877e-06 ; 3.383828e-01 -9.014877e-06 2.673917e-01 4.574753e-01 0.000485 0.000060 True native_MD 5 146 151 - CA_AB42_16 CB_AB42_17 1 0.000000e+00 3.181367e-05 ; 3.758773e-01 -3.181367e-05 9.999904e-01 9.999910e-01 0.000485 0.000060 True native_MD 4 146 157 - CA_AB42_16 CG_AB42_17 1 0.000000e+00 6.565938e-05 ; 3.992728e-01 -6.565938e-05 9.923790e-01 9.939600e-01 0.000485 0.000060 True native_MD 5 146 158 - CA_AB42_16 CD1_AB42_17 1 0.000000e+00 2.470425e-05 ; 3.680380e-01 -2.470425e-05 1.465842e-01 1.872929e-01 0.000485 0.000060 True native_MD 6 146 159 - CA_AB42_16 CD2_AB42_17 1 0.000000e+00 2.446208e-05 ; 3.677360e-01 -2.446208e-05 5.297785e-01 5.602853e-01 0.000485 0.000060 True native_MD 6 146 160 - CA_AB42_16 C_AB42_17 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 146 161 - CA_AB42_16 O_AB42_17 1 0.000000e+00 3.336101e-06 ; 3.114810e-01 -3.336101e-06 7.435770e-01 5.467805e-01 0.000485 0.000060 True native_MD 5 146 162 - CA_AB42_16 N_AB42_18 1 0.000000e+00 7.928821e-06 ; 3.347822e-01 -7.928821e-06 5.324921e-01 5.792018e-01 0.000485 0.000060 True native_MD 5 146 163 - CA_AB42_16 CA_AB42_18 1 0.000000e+00 6.987772e-05 ; 4.013500e-01 -6.987772e-05 5.156313e-01 5.815596e-01 0.000485 0.000060 True native_MD 6 146 165 + CA_AB42_16 CE_AB42_16 1 0.000000e+00 3.181363e-05 ; 3.758773e-01 -3.181363e-05 9.999936e-01 9.999972e-01 0.000485 0.000060 True native_MD 4 146 150 + CA_AB42_16 NZ_AB42_16 1 0.000000e+00 9.014863e-06 ; 3.383828e-01 -9.014863e-06 2.673917e-01 4.574753e-01 0.000485 0.000060 True native_MD 5 146 151 + CA_AB42_16 CB_AB42_17 1 0.000000e+00 3.181354e-05 ; 3.758772e-01 -3.181354e-05 9.999904e-01 9.999910e-01 0.000485 0.000060 True native_MD 4 146 157 + CA_AB42_16 CG_AB42_17 1 0.000000e+00 6.565987e-05 ; 3.992731e-01 -6.565987e-05 9.923790e-01 9.939600e-01 0.000485 0.000060 True native_MD 5 146 158 + CA_AB42_16 CD1_AB42_17 1 0.000000e+00 2.470424e-05 ; 3.680380e-01 -2.470424e-05 1.465842e-01 1.872929e-01 0.000485 0.000060 True native_MD 6 146 159 + CA_AB42_16 CD2_AB42_17 1 0.000000e+00 2.446207e-05 ; 3.677360e-01 -2.446207e-05 5.297785e-01 5.602853e-01 0.000485 0.000060 True native_MD 6 146 160 + CA_AB42_16 C_AB42_17 1 0.000000e+00 1.305180e-05 ; 3.489803e-01 -1.305180e-05 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 146 161 + CA_AB42_16 O_AB42_17 1 0.000000e+00 3.336128e-06 ; 3.114812e-01 -3.336128e-06 7.435770e-01 5.467805e-01 0.000485 0.000060 True native_MD 5 146 162 + CA_AB42_16 N_AB42_18 1 0.000000e+00 7.928808e-06 ; 3.347822e-01 -7.928808e-06 5.324921e-01 5.792018e-01 0.000485 0.000060 True native_MD 5 146 163 + CA_AB42_16 CA_AB42_18 1 0.000000e+00 6.987823e-05 ; 4.013502e-01 -6.987823e-05 5.156313e-01 5.815596e-01 0.000485 0.000060 True native_MD 6 146 165 CA_AB42_16 CB_AB42_18 1 5.576821e-03 1.103975e-04 ; 5.201102e-01 7.042945e-02 1.815448e-01 3.260823e-01 0.000485 0.000883 True native_MD 7 146 166 CA_AB42_16 CG1_AB42_18 1 2.912222e-03 2.115118e-05 ; 4.400665e-01 1.002431e-01 6.896348e-02 1.111274e-01 0.000485 0.001932 True native_MD 7 146 167 CA_AB42_16 CG2_AB42_18 1 3.381565e-03 2.697040e-05 ; 4.469871e-01 1.059957e-01 1.525992e-01 2.070092e-01 0.000485 0.001932 True native_MD 7 146 168 CA_AB42_16 C_AB42_18 1 3.398560e-03 3.810907e-05 ; 4.731029e-01 7.577073e-02 4.977083e-02 1.155701e-01 0.000485 0.001339 True native_MD 7 146 169 - CA_AB42_16 O_AB42_18 1 0.000000e+00 4.480083e-06 ; 3.192289e-01 -4.480083e-06 3.960710e-02 1.182368e-01 0.000485 0.001339 True native_MD 7 146 170 + CA_AB42_16 O_AB42_18 1 0.000000e+00 4.480118e-06 ; 3.192291e-01 -4.480118e-06 3.960710e-02 1.182368e-01 0.000485 0.001339 True native_MD 7 146 170 CA_AB42_16 N_AB42_19 1 3.488833e-03 2.974676e-05 ; 4.519877e-01 1.022965e-01 8.639999e-02 9.070758e-02 0.000485 0.001339 True native_MD 7 146 171 CA_AB42_16 CA_AB42_19 1 9.910166e-03 1.963226e-04 ; 5.201735e-01 1.250638e-01 3.728515e-01 1.305614e-01 0.000485 0.000883 True native_MD 7 146 173 CA_AB42_16 CB_AB42_19 1 3.937162e-03 2.979596e-05 ; 4.430938e-01 1.300616e-01 2.939151e-01 1.025099e-01 0.000485 0.001021 True native_MD 7 146 174 @@ -33114,25 +33114,25 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 CA_AB42_16 C_AB42_42 1 1.756397e-03 7.077345e-06 ; 3.989097e-01 1.089721e-01 1.557246e-03 2.185242e-04 0.000485 0.001339 True native_MD 7 146 358 CA_AB42_16 O1_AB42_42 1 4.002247e-04 5.565932e-07 ; 3.340968e-01 7.194652e-02 5.142194e-04 0.000000e+00 0.000485 0.001339 True native_MD 7 146 359 CA_AB42_16 O2_AB42_42 1 4.002247e-04 5.565932e-07 ; 3.340968e-01 7.194652e-02 5.142194e-04 0.000000e+00 0.000485 0.001339 True native_MD 7 146 360 - CB_AB42_16 NZ_AB42_16 1 0.000000e+00 3.825920e-06 ; 3.150574e-01 -3.825920e-06 9.150979e-01 9.558583e-01 0.000485 0.000060 True native_MD 4 147 151 - CB_AB42_16 C_AB42_16 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 152 + CB_AB42_16 NZ_AB42_16 1 0.000000e+00 3.825870e-06 ; 3.150570e-01 -3.825870e-06 9.150979e-01 9.558583e-01 0.000485 0.000060 True native_MD 4 147 151 + CB_AB42_16 C_AB42_16 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 152 CB_AB42_16 O_AB42_16 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 153 - CB_AB42_16 N_AB42_17 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 154 - CB_AB42_16 CA_AB42_17 1 0.000000e+00 3.181386e-05 ; 3.758775e-01 -3.181386e-05 9.999934e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 147 156 - CB_AB42_16 CB_AB42_17 1 0.000000e+00 1.754183e-05 ; 3.576854e-01 -1.754183e-05 4.995904e-01 6.358000e-01 0.000485 0.000060 True native_MD 5 147 157 - CB_AB42_16 CG_AB42_17 1 0.000000e+00 4.010314e-05 ; 3.832009e-01 -4.010314e-05 2.912389e-01 5.518027e-01 0.000485 0.000060 True native_MD 6 147 158 + CB_AB42_16 N_AB42_17 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 154 + CB_AB42_16 CA_AB42_17 1 0.000000e+00 3.181373e-05 ; 3.758774e-01 -3.181373e-05 9.999934e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 147 156 + CB_AB42_16 CB_AB42_17 1 0.000000e+00 1.754155e-05 ; 3.576849e-01 -1.754155e-05 4.995904e-01 6.358000e-01 0.000485 0.000060 True native_MD 5 147 157 + CB_AB42_16 CG_AB42_17 1 0.000000e+00 4.010297e-05 ; 3.832008e-01 -4.010297e-05 2.912389e-01 5.518027e-01 0.000485 0.000060 True native_MD 6 147 158 CB_AB42_16 CD1_AB42_17 1 1.965072e-03 1.080392e-05 ; 4.201140e-01 8.935433e-02 2.542046e-02 6.847257e-02 0.000485 0.002332 True native_MD 7 147 159 CB_AB42_16 CD2_AB42_17 1 1.771658e-03 9.735328e-06 ; 4.200766e-01 8.060262e-02 5.678755e-02 1.987602e-01 0.000485 0.002332 True native_MD 7 147 160 - CB_AB42_16 C_AB42_17 1 0.000000e+00 4.002728e-06 ; 3.162457e-01 -4.002728e-06 6.757573e-01 3.077044e-01 0.000485 0.000060 True native_MD 5 147 161 - CB_AB42_16 O_AB42_17 1 0.000000e+00 1.593304e-06 ; 2.928779e-01 -1.593304e-06 3.163281e-01 1.067922e-01 0.000485 0.000060 True native_MD 6 147 162 - CB_AB42_16 N_AB42_18 1 0.000000e+00 3.757481e-06 ; 3.145838e-01 -3.757481e-06 1.208479e-01 1.429908e-01 0.000485 0.000060 True native_MD 6 147 163 + CB_AB42_16 C_AB42_17 1 0.000000e+00 4.002661e-06 ; 3.162453e-01 -4.002661e-06 6.757573e-01 3.077044e-01 0.000485 0.000060 True native_MD 5 147 161 + CB_AB42_16 O_AB42_17 1 0.000000e+00 1.593298e-06 ; 2.928778e-01 -1.593298e-06 3.163281e-01 1.067922e-01 0.000485 0.000060 True native_MD 6 147 162 + CB_AB42_16 N_AB42_18 1 0.000000e+00 3.757431e-06 ; 3.145835e-01 -3.757431e-06 1.208479e-01 1.429908e-01 0.000485 0.000060 True native_MD 6 147 163 CB_AB42_16 CA_AB42_18 1 5.161457e-03 6.688682e-05 ; 4.846498e-01 9.957359e-02 1.815795e-01 1.577078e-01 0.000485 0.001021 True native_MD 7 147 165 CB_AB42_16 CB_AB42_18 1 3.629857e-03 3.616970e-05 ; 4.638838e-01 9.106973e-02 1.051488e-01 1.177911e-01 0.000485 0.001021 True native_MD 7 147 166 CB_AB42_16 CG1_AB42_18 1 1.425604e-03 4.060128e-06 ; 3.764929e-01 1.251406e-01 5.085915e-02 4.694622e-02 0.000485 0.002332 True native_MD 7 147 167 CB_AB42_16 CG2_AB42_18 1 1.463569e-03 4.199418e-06 ; 3.769606e-01 1.275197e-01 1.001212e-01 8.606711e-02 0.000485 0.002332 True native_MD 7 147 168 - CB_AB42_16 C_AB42_18 1 0.000000e+00 6.416404e-06 ; 3.289294e-01 -6.416404e-06 4.805937e-02 6.107542e-02 0.000485 0.000060 True native_MD 7 147 169 + CB_AB42_16 C_AB42_18 1 0.000000e+00 6.416296e-06 ; 3.289289e-01 -6.416296e-06 4.805937e-02 6.107542e-02 0.000485 0.000060 True native_MD 7 147 169 CB_AB42_16 O_AB42_18 1 4.030947e-04 4.617637e-07 ; 3.234711e-01 8.796997e-02 4.949227e-02 7.093939e-02 0.000485 0.001191 True native_MD 7 147 170 - CB_AB42_16 N_AB42_19 1 0.000000e+00 3.384671e-06 ; 3.118564e-01 -3.384671e-06 1.040233e-01 2.475131e-02 0.000485 0.000060 True native_MD 7 147 171 + CB_AB42_16 N_AB42_19 1 0.000000e+00 3.384627e-06 ; 3.118561e-01 -3.384627e-06 1.040233e-01 2.475131e-02 0.000485 0.000060 True native_MD 7 147 171 CB_AB42_16 CA_AB42_19 1 5.219512e-03 4.439523e-05 ; 4.518050e-01 1.534135e-01 3.399295e-01 5.894350e-02 0.000485 0.001021 True native_MD 7 147 173 CB_AB42_16 CB_AB42_19 1 1.448574e-03 3.288203e-06 ; 3.625236e-01 1.595376e-01 3.101307e-01 5.219579e-02 0.000485 0.001190 True native_MD 7 147 174 CB_AB42_16 CG_AB42_19 1 2.156651e-03 6.048916e-06 ; 3.755343e-01 1.922305e-01 2.136919e-01 2.649158e-02 0.000485 0.002332 True native_MD 7 147 175 @@ -33143,7 +33143,7 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 CB_AB42_16 CZ_AB42_19 1 1.140948e-03 2.055478e-06 ; 3.488252e-01 1.583285e-01 8.381611e-02 2.865889e-02 0.000485 0.002332 True native_MD 7 147 180 CB_AB42_16 C_AB42_19 1 1.802186e-03 8.133513e-06 ; 4.065180e-01 9.983002e-02 1.642897e-01 8.282338e-03 0.000485 0.000060 True native_MD 7 147 181 CB_AB42_16 O_AB42_19 1 7.464412e-04 6.754103e-07 ; 3.110012e-01 2.062356e-01 2.211520e-01 9.204128e-03 0.000485 0.001191 True native_MD 7 147 182 - CB_AB42_16 N_AB42_20 1 0.000000e+00 3.632915e-06 ; 3.137013e-01 -3.632915e-06 1.451604e-02 2.773427e-03 0.000485 0.000060 True native_MD 7 147 183 + CB_AB42_16 N_AB42_20 1 0.000000e+00 3.632867e-06 ; 3.137009e-01 -3.632867e-06 1.451604e-02 2.773427e-03 0.000485 0.000060 True native_MD 7 147 183 CB_AB42_16 CA_AB42_20 1 6.335345e-03 5.508608e-05 ; 4.534666e-01 1.821540e-01 1.571387e-01 1.152921e-02 0.000485 0.001021 True native_MD 7 147 185 CB_AB42_16 CB_AB42_20 1 2.012738e-03 5.597790e-06 ; 3.750060e-01 1.809248e-01 1.434293e-01 1.272818e-02 0.000485 0.001190 True native_MD 7 147 186 CB_AB42_16 CG_AB42_20 1 1.801955e-03 4.435362e-06 ; 3.674494e-01 1.830201e-01 5.252844e-02 8.578647e-03 0.000485 0.002332 True native_MD 7 147 187 @@ -33163,17 +33163,17 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 CB_AB42_16 CA_AB42_22 1 4.169738e-03 2.426639e-05 ; 4.241141e-01 1.791235e-01 1.675695e-02 1.346165e-03 0.000485 0.001021 True native_MD 7 147 203 CB_AB42_16 CB_AB42_22 1 2.911038e-03 1.253213e-05 ; 4.033321e-01 1.690484e-01 1.112590e-02 1.408695e-03 0.000485 0.001190 True native_MD 7 147 204 CB_AB42_16 CG_AB42_22 1 2.998050e-03 1.401155e-05 ; 4.088913e-01 1.603731e-01 1.870270e-02 3.069985e-03 0.000485 0.001190 True native_MD 7 147 205 - CB_AB42_16 CD_AB42_22 1 0.000000e+00 6.309688e-06 ; 3.284700e-01 -6.309688e-06 6.340021e-03 2.507873e-03 0.000485 0.000060 True native_MD 7 147 206 - CB_AB42_16 OE1_AB42_22 1 0.000000e+00 1.630092e-06 ; 2.934355e-01 -1.630092e-06 2.780002e-03 1.823940e-03 0.000485 0.000060 True native_MD 7 147 207 - CB_AB42_16 OE2_AB42_22 1 0.000000e+00 1.630092e-06 ; 2.934355e-01 -1.630092e-06 2.780002e-03 1.823940e-03 0.000485 0.000060 True native_MD 7 147 208 - CB_AB42_16 C_AB42_22 1 0.000000e+00 6.327914e-06 ; 3.285489e-01 -6.327914e-06 1.120711e-03 1.660664e-04 0.000485 0.000060 True native_MD 7 147 209 + CB_AB42_16 CD_AB42_22 1 0.000000e+00 6.309582e-06 ; 3.284695e-01 -6.309582e-06 6.340021e-03 2.507873e-03 0.000485 0.000060 True native_MD 7 147 206 + CB_AB42_16 OE1_AB42_22 1 0.000000e+00 1.630086e-06 ; 2.934354e-01 -1.630086e-06 2.780002e-03 1.823940e-03 0.000485 0.000060 True native_MD 7 147 207 + CB_AB42_16 OE2_AB42_22 1 0.000000e+00 1.630086e-06 ; 2.934354e-01 -1.630086e-06 2.780002e-03 1.823940e-03 0.000485 0.000060 True native_MD 7 147 208 + CB_AB42_16 C_AB42_22 1 0.000000e+00 6.327808e-06 ; 3.285485e-01 -6.327808e-06 1.120711e-03 1.660664e-04 0.000485 0.000060 True native_MD 7 147 209 CB_AB42_16 O_AB42_22 1 8.644494e-04 2.028687e-06 ; 3.645406e-01 9.208823e-02 9.395577e-04 2.370871e-04 0.000485 0.001191 True native_MD 7 147 210 - CB_AB42_16 N_AB42_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 211 + CB_AB42_16 N_AB42_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 211 CB_AB42_16 CA_AB42_23 1 4.660471e-03 3.836558e-05 ; 4.493506e-01 1.415330e-01 4.126113e-03 8.435384e-04 0.000485 0.001021 True native_MD 7 147 213 CB_AB42_16 CB_AB42_23 1 1.648782e-03 5.140059e-06 ; 3.822089e-01 1.322204e-01 3.715799e-03 1.416367e-03 0.000485 0.001190 True native_MD 7 147 214 - CB_AB42_16 CG_AB42_23 1 0.000000e+00 6.320251e-06 ; 3.285157e-01 -6.320251e-06 3.778385e-03 1.613873e-03 0.000485 0.000060 True native_MD 7 147 215 - CB_AB42_16 OD1_AB42_23 1 0.000000e+00 1.629583e-06 ; 2.934279e-01 -1.629583e-06 2.647681e-03 1.379852e-03 0.000485 0.000060 True native_MD 7 147 216 - CB_AB42_16 OD2_AB42_23 1 0.000000e+00 1.629583e-06 ; 2.934279e-01 -1.629583e-06 2.647681e-03 1.379852e-03 0.000485 0.000060 True native_MD 7 147 217 + CB_AB42_16 CG_AB42_23 1 0.000000e+00 6.320145e-06 ; 3.285153e-01 -6.320145e-06 3.778385e-03 1.613873e-03 0.000485 0.000060 True native_MD 7 147 215 + CB_AB42_16 OD1_AB42_23 1 0.000000e+00 1.629578e-06 ; 2.934278e-01 -1.629578e-06 2.647681e-03 1.379852e-03 0.000485 0.000060 True native_MD 7 147 216 + CB_AB42_16 OD2_AB42_23 1 0.000000e+00 1.629578e-06 ; 2.934278e-01 -1.629578e-06 2.647681e-03 1.379852e-03 0.000485 0.000060 True native_MD 7 147 217 CB_AB42_16 C_AB42_23 1 2.330665e-03 1.208899e-05 ; 4.160559e-01 1.123336e-01 1.722048e-03 4.988762e-05 0.000485 0.000060 True native_MD 7 147 218 CB_AB42_16 O_AB42_23 1 1.028925e-03 2.488541e-06 ; 3.663759e-01 1.063561e-01 1.439988e-03 7.355939e-05 0.000485 0.001191 True native_MD 7 147 219 CB_AB42_16 N_AB42_24 1 1.866992e-03 9.036747e-06 ; 4.112870e-01 9.643016e-02 1.069927e-03 0.000000e+00 0.000485 0.000060 True native_MD 7 147 220 @@ -33181,13 +33181,13 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 CB_AB42_16 CB_AB42_24 1 4.563189e-03 4.417153e-05 ; 4.616495e-01 1.178513e-01 5.270668e-03 2.649124e-03 0.000485 0.001021 True native_MD 7 147 223 CB_AB42_16 CG1_AB42_24 1 1.323067e-03 3.646612e-06 ; 3.744421e-01 1.200091e-01 2.814217e-03 3.028876e-03 0.000485 0.002332 True native_MD 7 147 224 CB_AB42_16 CG2_AB42_24 1 1.673850e-03 4.856008e-06 ; 3.776537e-01 1.442427e-01 4.474635e-03 1.982406e-03 0.000485 0.002332 True native_MD 7 147 225 - CB_AB42_16 C_AB42_24 1 0.000000e+00 6.328485e-06 ; 3.285514e-01 -6.328485e-06 1.111993e-03 2.473842e-04 0.000485 0.000060 True native_MD 7 147 226 + CB_AB42_16 C_AB42_24 1 0.000000e+00 6.328378e-06 ; 3.285509e-01 -6.328378e-06 1.111993e-03 2.473842e-04 0.000485 0.000060 True native_MD 7 147 226 CB_AB42_16 O_AB42_24 1 4.405130e-04 4.991409e-07 ; 3.228822e-01 9.719282e-02 1.094627e-03 3.660389e-04 0.000485 0.001191 True native_MD 7 147 227 - CB_AB42_16 N_AB42_25 1 0.000000e+00 3.674400e-06 ; 3.139982e-01 -3.674400e-06 7.702990e-04 3.129578e-04 0.000485 0.000060 True native_MD 7 147 228 + CB_AB42_16 N_AB42_25 1 0.000000e+00 3.674352e-06 ; 3.139979e-01 -3.674352e-06 7.702990e-04 3.129578e-04 0.000485 0.000060 True native_MD 7 147 228 CB_AB42_16 CA_AB42_25 1 1.049314e-03 2.108381e-06 ; 3.552280e-01 1.305576e-01 2.970962e-03 1.148864e-03 0.000485 0.001190 True native_MD 7 147 230 - CB_AB42_16 C_AB42_25 1 0.000000e+00 6.322897e-06 ; 3.285272e-01 -6.322897e-06 2.137167e-03 3.903982e-04 0.000485 0.000060 True native_MD 7 147 231 + CB_AB42_16 C_AB42_25 1 0.000000e+00 6.322791e-06 ; 3.285267e-01 -6.322791e-06 2.137167e-03 3.903982e-04 0.000485 0.000060 True native_MD 7 147 231 CB_AB42_16 O_AB42_25 1 6.172939e-04 7.867680e-07 ; 3.292753e-01 1.210814e-01 2.237368e-03 3.968104e-04 0.000485 0.001191 True native_MD 7 147 232 - CB_AB42_16 N_AB42_26 1 0.000000e+00 3.674240e-06 ; 3.139971e-01 -3.674240e-06 5.979885e-04 9.707273e-05 0.000485 0.000060 True native_MD 7 147 233 + CB_AB42_16 N_AB42_26 1 0.000000e+00 3.674192e-06 ; 3.139968e-01 -3.674192e-06 5.979885e-04 9.707273e-05 0.000485 0.000060 True native_MD 7 147 233 CB_AB42_16 CA_AB42_26 1 2.767547e-03 1.295239e-05 ; 4.089867e-01 1.478360e-01 5.602587e-03 1.147954e-03 0.000485 0.001021 True native_MD 7 147 235 CB_AB42_16 CB_AB42_26 1 4.117065e-03 2.206840e-05 ; 4.183411e-01 1.920192e-01 1.869359e-02 1.149321e-03 0.000485 0.001190 True native_MD 7 147 236 CB_AB42_16 OG_AB42_26 1 5.208556e-04 8.657061e-07 ; 3.441720e-01 7.834372e-02 5.827364e-03 5.588111e-04 0.000485 0.000060 True native_MD 7 147 237 @@ -33196,9 +33196,9 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 CB_AB42_16 N_AB42_27 1 1.235493e-03 4.107070e-06 ; 3.863213e-01 9.291551e-02 9.631089e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 147 240 CB_AB42_16 CA_AB42_27 1 5.573706e-03 5.443865e-05 ; 4.623390e-01 1.426661e-01 4.268420e-03 4.624935e-04 0.000485 0.001021 True native_MD 7 147 242 CB_AB42_16 CB_AB42_27 1 2.291916e-03 8.922166e-06 ; 3.966237e-01 1.471862e-01 4.886669e-03 4.199224e-04 0.000485 0.001190 True native_MD 7 147 243 - CB_AB42_16 CG_AB42_27 1 0.000000e+00 6.311118e-06 ; 3.284762e-01 -6.311118e-06 4.413864e-03 8.074157e-04 0.000485 0.000060 True native_MD 7 147 244 + CB_AB42_16 CG_AB42_27 1 0.000000e+00 6.311012e-06 ; 3.284757e-01 -6.311012e-06 4.413864e-03 8.074157e-04 0.000485 0.000060 True native_MD 7 147 244 CB_AB42_16 OD1_AB42_27 1 4.852571e-04 4.301758e-07 ; 3.099410e-01 1.368478e-01 3.586316e-03 5.614765e-04 0.000485 0.001191 True native_MD 7 147 245 - CB_AB42_16 ND2_AB42_27 1 0.000000e+00 6.313290e-06 ; 3.284856e-01 -6.313290e-06 4.083627e-03 1.283773e-03 0.000485 0.000060 True native_MD 7 147 246 + CB_AB42_16 ND2_AB42_27 1 0.000000e+00 6.313254e-06 ; 3.284854e-01 -6.313254e-06 4.083627e-03 1.283773e-03 0.000485 0.000060 True native_MD 7 147 246 CB_AB42_16 C_AB42_27 1 1.901856e-03 7.771821e-06 ; 3.998443e-01 1.163516e-01 1.942079e-03 9.784937e-06 0.000485 0.000060 True native_MD 7 147 247 CB_AB42_16 O_AB42_27 1 4.935122e-04 5.219542e-07 ; 3.191948e-01 1.166550e-01 1.959791e-03 5.078434e-05 0.000485 0.001191 True native_MD 7 147 248 CB_AB42_16 N_AB42_28 1 2.016956e-03 9.394731e-06 ; 4.086624e-01 1.082552e-01 1.524192e-03 3.401934e-07 0.000485 0.000060 True native_MD 7 147 249 @@ -33207,8 +33207,8 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 CB_AB42_16 CG_AB42_28 1 1.167592e-03 2.694337e-06 ; 3.635187e-01 1.264941e-01 2.630782e-03 6.129440e-04 0.000485 0.001190 True native_MD 7 147 253 CB_AB42_16 CD_AB42_28 1 2.358460e-03 1.162126e-05 ; 4.125128e-01 1.196586e-01 2.144104e-03 6.542728e-04 0.000485 0.001190 True native_MD 7 147 254 CB_AB42_16 CE_AB42_28 1 2.239644e-03 1.209548e-05 ; 4.188649e-01 1.036752e-01 1.362891e-03 1.220609e-03 0.000485 0.001190 True native_MD 7 147 255 - CB_AB42_16 NZ_AB42_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 256 - CB_AB42_16 C_AB42_28 1 0.000000e+00 6.325847e-06 ; 3.285400e-01 -6.325847e-06 1.625790e-03 3.447851e-04 0.000485 0.000060 True native_MD 7 147 257 + CB_AB42_16 NZ_AB42_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 256 + CB_AB42_16 C_AB42_28 1 0.000000e+00 6.325741e-06 ; 3.285395e-01 -6.325741e-06 1.625790e-03 3.447851e-04 0.000485 0.000060 True native_MD 7 147 257 CB_AB42_16 O_AB42_28 1 3.389826e-04 2.866758e-07 ; 3.075169e-01 1.002083e-01 1.198003e-03 4.999332e-04 0.000485 0.001191 True native_MD 7 147 258 CB_AB42_16 N_AB42_29 1 1.774234e-03 8.390895e-06 ; 4.097003e-01 9.378931e-02 1.088657e-03 6.575712e-05 0.000485 0.000060 True native_MD 7 147 259 CB_AB42_16 CA_AB42_29 1 1.677898e-03 5.506796e-06 ; 3.854981e-01 1.278121e-01 2.736621e-03 6.160295e-04 0.000485 0.001190 True native_MD 7 147 261 @@ -33225,9 +33225,9 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 CB_AB42_16 CG1_AB42_31 1 2.335100e-03 9.435842e-06 ; 3.990977e-01 1.444675e-01 4.504844e-03 5.768457e-04 0.000485 0.001190 True native_MD 7 147 274 CB_AB42_16 CG2_AB42_31 1 1.204333e-03 2.608234e-06 ; 3.596941e-01 1.390229e-01 3.827528e-03 1.408542e-03 0.000485 0.002332 True native_MD 7 147 275 CB_AB42_16 CD_AB42_31 1 1.430347e-03 3.366885e-06 ; 3.647241e-01 1.519128e-01 5.629155e-03 1.351937e-03 0.000485 0.002332 True native_MD 7 147 276 - CB_AB42_16 C_AB42_31 1 0.000000e+00 6.327593e-06 ; 3.285475e-01 -6.327593e-06 1.170237e-03 1.648233e-04 0.000485 0.000060 True native_MD 7 147 277 + CB_AB42_16 C_AB42_31 1 0.000000e+00 6.327487e-06 ; 3.285471e-01 -6.327487e-06 1.170237e-03 1.648233e-04 0.000485 0.000060 True native_MD 7 147 277 CB_AB42_16 O_AB42_31 1 3.296060e-04 2.872838e-07 ; 3.090670e-01 9.454077e-02 1.011110e-03 3.566014e-04 0.000485 0.001191 True native_MD 7 147 278 - CB_AB42_16 N_AB42_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 279 + CB_AB42_16 N_AB42_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 279 CB_AB42_16 CA_AB42_32 1 7.280796e-03 9.662238e-05 ; 4.865750e-01 1.371576e-01 3.619724e-03 7.545437e-04 0.000485 0.001021 True native_MD 7 147 281 CB_AB42_16 CB_AB42_32 1 6.357235e-03 6.633222e-05 ; 4.674581e-01 1.523183e-01 5.697882e-03 9.451509e-04 0.000485 0.001021 True native_MD 7 147 282 CB_AB42_16 CG1_AB42_32 1 3.341569e-03 1.735855e-05 ; 4.161602e-01 1.608153e-01 7.347612e-03 9.141169e-04 0.000485 0.001190 True native_MD 7 147 283 @@ -33296,27 +33296,27 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 CB_AB42_16 CA_AB42_42 1 2.103502e-03 6.266139e-06 ; 3.793233e-01 1.765330e-01 1.176045e-02 8.768311e-04 0.000485 0.001021 True native_MD 7 147 356 CB_AB42_16 CB_AB42_42 1 1.321872e-03 2.617852e-06 ; 3.543719e-01 1.668683e-01 8.806736e-03 6.704712e-04 0.000485 0.002332 True native_MD 7 147 357 CB_AB42_16 C_AB42_42 1 1.135617e-03 4.255508e-06 ; 3.941122e-01 7.576222e-02 3.494623e-03 3.620296e-04 0.000485 0.000060 True native_MD 7 147 358 - CB_AB42_16 O1_AB42_42 1 0.000000e+00 1.629884e-06 ; 2.934324e-01 -1.629884e-06 1.410698e-03 3.269002e-04 0.000485 0.000060 True native_MD 7 147 359 - CB_AB42_16 O2_AB42_42 1 0.000000e+00 1.629884e-06 ; 2.934324e-01 -1.629884e-06 1.410698e-03 3.269002e-04 0.000485 0.000060 True native_MD 7 147 360 - CG_AB42_16 NZ_AB42_16 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 148 151 - CG_AB42_16 C_AB42_16 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 148 152 - CG_AB42_16 O_AB42_16 1 0.000000e+00 1.993144e-06 ; 2.983939e-01 -1.993144e-06 9.720300e-01 9.608614e-01 0.000485 0.000060 True native_MD 4 148 153 - CG_AB42_16 N_AB42_17 1 0.000000e+00 3.678810e-06 ; 3.140296e-01 -3.678810e-06 9.786393e-01 9.793815e-01 0.000485 0.000060 True native_MD 4 148 154 - CG_AB42_16 CA_AB42_17 1 0.000000e+00 2.937567e-05 ; 3.733883e-01 -2.937567e-05 7.610979e-01 6.844648e-01 0.000485 0.000060 True native_MD 5 148 156 - CG_AB42_16 CB_AB42_17 1 0.000000e+00 1.510580e-05 ; 3.532566e-01 -1.510580e-05 1.501603e-01 1.285848e-01 0.000485 0.000060 True native_MD 6 148 157 - CG_AB42_16 CG_AB42_17 1 0.000000e+00 3.527611e-05 ; 3.791273e-01 -3.527611e-05 7.151827e-02 1.803538e-01 0.000485 0.001021 True native_MD 7 148 158 + CB_AB42_16 O1_AB42_42 1 0.000000e+00 1.629878e-06 ; 2.934323e-01 -1.629878e-06 1.410698e-03 3.269002e-04 0.000485 0.000060 True native_MD 7 147 359 + CB_AB42_16 O2_AB42_42 1 0.000000e+00 1.629878e-06 ; 2.934323e-01 -1.629878e-06 1.410698e-03 3.269002e-04 0.000485 0.000060 True native_MD 7 147 360 + CG_AB42_16 NZ_AB42_16 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 148 151 + CG_AB42_16 C_AB42_16 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 148 152 + CG_AB42_16 O_AB42_16 1 0.000000e+00 1.993137e-06 ; 2.983938e-01 -1.993137e-06 9.720300e-01 9.608614e-01 0.000485 0.000060 True native_MD 4 148 153 + CG_AB42_16 N_AB42_17 1 0.000000e+00 3.678762e-06 ; 3.140293e-01 -3.678762e-06 9.786393e-01 9.793815e-01 0.000485 0.000060 True native_MD 4 148 154 + CG_AB42_16 CA_AB42_17 1 0.000000e+00 2.937555e-05 ; 3.733881e-01 -2.937555e-05 7.610979e-01 6.844648e-01 0.000485 0.000060 True native_MD 5 148 156 + CG_AB42_16 CB_AB42_17 1 0.000000e+00 1.510556e-05 ; 3.532562e-01 -1.510556e-05 1.501603e-01 1.285848e-01 0.000485 0.000060 True native_MD 6 148 157 + CG_AB42_16 CG_AB42_17 1 0.000000e+00 3.527596e-05 ; 3.791272e-01 -3.527596e-05 7.151827e-02 1.803538e-01 0.000485 0.001021 True native_MD 7 148 158 CG_AB42_16 CD1_AB42_17 1 1.644950e-03 6.857733e-06 ; 4.011788e-01 9.864263e-02 1.974340e-02 4.027525e-02 0.000485 0.002332 True native_MD 7 148 159 CG_AB42_16 CD2_AB42_17 1 1.248525e-03 4.274813e-06 ; 3.882278e-01 9.116271e-02 3.260314e-02 8.319356e-02 0.000485 0.002332 True native_MD 7 148 160 - CG_AB42_16 C_AB42_17 1 0.000000e+00 5.200409e-06 ; 3.232199e-01 -5.200409e-06 2.723018e-01 9.333771e-02 0.000485 0.000060 True native_MD 6 148 161 + CG_AB42_16 C_AB42_17 1 0.000000e+00 5.200322e-06 ; 3.232195e-01 -5.200322e-06 2.723018e-01 9.333771e-02 0.000485 0.000060 True native_MD 6 148 161 CG_AB42_16 O_AB42_17 1 7.521995e-04 1.012452e-06 ; 3.322821e-01 1.397113e-01 1.979290e-01 6.031067e-02 0.000485 0.001191 True native_MD 7 148 162 - CG_AB42_16 N_AB42_18 1 0.000000e+00 3.464417e-06 ; 3.124622e-01 -3.464417e-06 9.723114e-02 3.965236e-02 0.000485 0.000060 True native_MD 7 148 163 + CG_AB42_16 N_AB42_18 1 0.000000e+00 3.464372e-06 ; 3.124619e-01 -3.464372e-06 9.723114e-02 3.965236e-02 0.000485 0.000060 True native_MD 7 148 163 CG_AB42_16 CA_AB42_18 1 4.736309e-03 4.590469e-05 ; 4.617457e-01 1.221696e-01 1.625103e-01 7.177858e-02 0.000485 0.001021 True native_MD 7 148 165 CG_AB42_16 CB_AB42_18 1 2.845079e-03 1.844875e-05 ; 4.318293e-01 1.096887e-01 1.125728e-01 7.223664e-02 0.000485 0.001021 True native_MD 7 148 166 CG_AB42_16 CG1_AB42_18 1 1.364727e-03 3.440604e-06 ; 3.689194e-01 1.353309e-01 4.886574e-02 3.325026e-02 0.000485 0.002332 True native_MD 7 148 167 CG_AB42_16 CG2_AB42_18 1 1.279880e-03 3.046773e-06 ; 3.654083e-01 1.344122e-01 9.420758e-02 6.588965e-02 0.000485 0.002332 True native_MD 7 148 168 - CG_AB42_16 C_AB42_18 1 0.000000e+00 6.124526e-06 ; 3.276557e-01 -6.124526e-06 5.836532e-02 2.529997e-02 0.000485 0.000060 True native_MD 7 148 169 + CG_AB42_16 C_AB42_18 1 0.000000e+00 6.124424e-06 ; 3.276552e-01 -6.124424e-06 5.836532e-02 2.529997e-02 0.000485 0.000060 True native_MD 7 148 169 CG_AB42_16 O_AB42_18 1 4.003960e-04 3.398447e-07 ; 3.077031e-01 1.179340e-01 6.368955e-02 3.723801e-02 0.000485 0.001191 True native_MD 7 148 170 - CG_AB42_16 N_AB42_19 1 0.000000e+00 3.540044e-06 ; 3.130250e-01 -3.540044e-06 4.345983e-02 6.453667e-03 0.000485 0.000060 True native_MD 7 148 171 + CG_AB42_16 N_AB42_19 1 0.000000e+00 3.539997e-06 ; 3.130247e-01 -3.539997e-06 4.345983e-02 6.453667e-03 0.000485 0.000060 True native_MD 7 148 171 CG_AB42_16 CA_AB42_19 1 5.148555e-03 4.153759e-05 ; 4.478432e-01 1.595400e-01 2.224442e-01 3.211032e-02 0.000485 0.001021 True native_MD 7 148 173 CG_AB42_16 CB_AB42_19 1 2.295049e-03 7.663870e-06 ; 3.866126e-01 1.718208e-01 2.771718e-01 3.229973e-02 0.000485 0.001190 True native_MD 7 148 174 CG_AB42_16 CG_AB42_19 1 3.295210e-03 1.340728e-05 ; 3.995547e-01 2.024723e-01 1.624405e-01 1.482193e-02 0.000485 0.002332 True native_MD 7 148 175 @@ -33327,7 +33327,7 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 CG_AB42_16 CZ_AB42_19 1 1.325453e-03 2.683889e-06 ; 3.556860e-01 1.636454e-01 7.596810e-02 2.215447e-02 0.000485 0.002332 True native_MD 7 148 180 CG_AB42_16 C_AB42_19 1 2.022832e-03 9.872776e-06 ; 4.118571e-01 1.036144e-01 6.824051e-02 3.071852e-03 0.000485 0.000060 True native_MD 7 148 181 CG_AB42_16 O_AB42_19 1 8.853735e-04 9.586006e-07 ; 3.204438e-01 2.044350e-01 1.204508e-01 5.290569e-03 0.000485 0.001191 True native_MD 7 148 182 - CG_AB42_16 N_AB42_20 1 0.000000e+00 3.658252e-06 ; 3.138830e-01 -3.658252e-06 5.668163e-03 8.179736e-04 0.000485 0.000060 True native_MD 7 148 183 + CG_AB42_16 N_AB42_20 1 0.000000e+00 3.658204e-06 ; 3.138827e-01 -3.658204e-06 5.668163e-03 8.179736e-04 0.000485 0.000060 True native_MD 7 148 183 CG_AB42_16 CA_AB42_20 1 7.002906e-03 6.619853e-05 ; 4.598276e-01 1.852031e-01 1.183070e-01 7.923164e-03 0.000485 0.001021 True native_MD 7 148 185 CG_AB42_16 CB_AB42_20 1 2.943783e-03 1.129448e-05 ; 3.956642e-01 1.918163e-01 1.421259e-01 9.104329e-03 0.000485 0.001190 True native_MD 7 148 186 CG_AB42_16 CG_AB42_20 1 3.171707e-03 1.283605e-05 ; 3.991992e-01 1.959272e-01 5.120361e-02 5.682963e-03 0.000485 0.002332 True native_MD 7 148 187 @@ -33347,42 +33347,42 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 CG_AB42_16 CA_AB42_22 1 3.613563e-03 1.999020e-05 ; 4.205461e-01 1.633030e-01 1.266318e-02 1.633275e-03 0.000485 0.001021 True native_MD 7 148 203 CG_AB42_16 CB_AB42_22 1 3.661497e-03 1.952511e-05 ; 4.179803e-01 1.716580e-01 1.186554e-02 1.389485e-03 0.000485 0.001190 True native_MD 7 148 204 CG_AB42_16 CG_AB42_22 1 2.817618e-03 1.134012e-05 ; 3.988313e-01 1.750196e-01 2.532846e-02 2.682163e-03 0.000485 0.001190 True native_MD 7 148 205 - CG_AB42_16 CD_AB42_22 1 0.000000e+00 6.258094e-06 ; 3.282453e-01 -6.258094e-06 1.482707e-02 2.849193e-03 0.000485 0.000060 True native_MD 7 148 206 - CG_AB42_16 OE1_AB42_22 1 0.000000e+00 1.620406e-06 ; 2.932898e-01 -1.620406e-06 8.843038e-03 1.950783e-03 0.000485 0.000060 True native_MD 7 148 207 - CG_AB42_16 OE2_AB42_22 1 0.000000e+00 1.620406e-06 ; 2.932898e-01 -1.620406e-06 8.843038e-03 1.950783e-03 0.000485 0.000060 True native_MD 7 148 208 - CG_AB42_16 C_AB42_22 1 0.000000e+00 6.321990e-06 ; 3.285233e-01 -6.321990e-06 2.317983e-03 4.280778e-04 0.000485 0.000060 True native_MD 7 148 209 + CG_AB42_16 CD_AB42_22 1 0.000000e+00 6.257989e-06 ; 3.282448e-01 -6.257989e-06 1.482707e-02 2.849193e-03 0.000485 0.000060 True native_MD 7 148 206 + CG_AB42_16 OE1_AB42_22 1 0.000000e+00 1.620401e-06 ; 2.932897e-01 -1.620401e-06 8.843038e-03 1.950783e-03 0.000485 0.000060 True native_MD 7 148 207 + CG_AB42_16 OE2_AB42_22 1 0.000000e+00 1.620401e-06 ; 2.932897e-01 -1.620401e-06 8.843038e-03 1.950783e-03 0.000485 0.000060 True native_MD 7 148 208 + CG_AB42_16 C_AB42_22 1 0.000000e+00 6.321884e-06 ; 3.285228e-01 -6.321884e-06 2.317983e-03 4.280778e-04 0.000485 0.000060 True native_MD 7 148 209 CG_AB42_16 O_AB42_22 1 7.985722e-04 1.394921e-06 ; 3.470345e-01 1.142927e-01 1.826031e-03 5.018682e-04 0.000485 0.001191 True native_MD 7 148 210 CG_AB42_16 N_AB42_23 1 1.079968e-03 3.796477e-06 ; 3.899375e-01 7.680354e-02 1.032677e-03 1.036990e-04 0.000485 0.000060 True native_MD 7 148 211 CG_AB42_16 CA_AB42_23 1 4.290056e-03 3.067208e-05 ; 4.389146e-01 1.500109e-01 5.602125e-03 1.075530e-03 0.000485 0.001021 True native_MD 7 148 213 CG_AB42_16 CB_AB42_23 1 1.632857e-03 4.501221e-06 ; 3.744527e-01 1.480833e-01 6.614499e-03 1.568394e-03 0.000485 0.001190 True native_MD 7 148 214 - CG_AB42_16 CG_AB42_23 1 0.000000e+00 6.287315e-06 ; 3.283727e-01 -6.287315e-06 9.381514e-03 2.017114e-03 0.000485 0.000060 True native_MD 7 148 215 - CG_AB42_16 OD1_AB42_23 1 0.000000e+00 1.623114e-06 ; 2.933306e-01 -1.623114e-06 6.742025e-03 1.509178e-03 0.000485 0.000060 True native_MD 7 148 216 - CG_AB42_16 OD2_AB42_23 1 0.000000e+00 1.623114e-06 ; 2.933306e-01 -1.623114e-06 6.742025e-03 1.509178e-03 0.000485 0.000060 True native_MD 7 148 217 + CG_AB42_16 CG_AB42_23 1 0.000000e+00 6.287210e-06 ; 3.283723e-01 -6.287210e-06 9.381514e-03 2.017114e-03 0.000485 0.000060 True native_MD 7 148 215 + CG_AB42_16 OD1_AB42_23 1 0.000000e+00 1.623108e-06 ; 2.933305e-01 -1.623108e-06 6.742025e-03 1.509178e-03 0.000485 0.000060 True native_MD 7 148 216 + CG_AB42_16 OD2_AB42_23 1 0.000000e+00 1.623108e-06 ; 2.933305e-01 -1.623108e-06 6.742025e-03 1.509178e-03 0.000485 0.000060 True native_MD 7 148 217 CG_AB42_16 C_AB42_23 1 1.548913e-03 7.228054e-06 ; 4.087889e-01 8.297983e-02 1.792270e-03 1.496037e-04 0.000485 0.000060 True native_MD 7 148 218 CG_AB42_16 O_AB42_23 1 9.379735e-04 2.062548e-06 ; 3.606082e-01 1.066393e-01 1.452240e-03 1.515442e-04 0.000485 0.001191 True native_MD 7 148 219 - CG_AB42_16 N_AB42_24 1 0.000000e+00 3.672478e-06 ; 3.139845e-01 -3.672478e-06 1.134075e-03 1.538305e-04 0.000485 0.000060 True native_MD 7 148 220 + CG_AB42_16 N_AB42_24 1 0.000000e+00 3.672430e-06 ; 3.139842e-01 -3.672430e-06 1.134075e-03 1.538305e-04 0.000485 0.000060 True native_MD 7 148 220 CG_AB42_16 CA_AB42_24 1 4.182188e-03 3.291088e-05 ; 4.459875e-01 1.328641e-01 3.978860e-03 1.276084e-03 0.000485 0.001021 True native_MD 7 148 222 CG_AB42_16 CB_AB42_24 1 2.562857e-03 1.427384e-05 ; 4.210200e-01 1.150397e-01 5.447598e-03 2.978400e-03 0.000485 0.001021 True native_MD 7 148 223 CG_AB42_16 CG1_AB42_24 1 1.703168e-03 5.709296e-06 ; 3.868603e-01 1.270202e-01 3.250180e-03 2.836028e-03 0.000485 0.002332 True native_MD 7 148 224 CG_AB42_16 CG2_AB42_24 1 1.214012e-03 2.479815e-06 ; 3.562045e-01 1.485822e-01 5.095150e-03 2.103577e-03 0.000485 0.002332 True native_MD 7 148 225 - CG_AB42_16 C_AB42_24 1 0.000000e+00 6.327550e-06 ; 3.285473e-01 -6.327550e-06 1.371883e-03 3.596491e-04 0.000485 0.000060 True native_MD 7 148 226 + CG_AB42_16 C_AB42_24 1 0.000000e+00 6.327443e-06 ; 3.285469e-01 -6.327443e-06 1.371883e-03 3.596491e-04 0.000485 0.000060 True native_MD 7 148 226 CG_AB42_16 O_AB42_24 1 5.652565e-04 6.849957e-07 ; 3.265179e-01 1.166120e-01 1.957270e-03 5.281255e-04 0.000485 0.001191 True native_MD 7 148 227 - CG_AB42_16 N_AB42_25 1 0.000000e+00 3.674126e-06 ; 3.139963e-01 -3.674126e-06 8.317396e-04 2.996615e-04 0.000485 0.000060 True native_MD 7 148 228 + CG_AB42_16 N_AB42_25 1 0.000000e+00 3.674077e-06 ; 3.139959e-01 -3.674077e-06 8.317396e-04 2.996615e-04 0.000485 0.000060 True native_MD 7 148 228 CG_AB42_16 CA_AB42_25 1 1.333239e-03 3.817441e-06 ; 3.768288e-01 1.164082e-01 2.419798e-03 1.480498e-03 0.000485 0.001190 True native_MD 7 148 230 - CG_AB42_16 C_AB42_25 1 0.000000e+00 6.325734e-06 ; 3.285395e-01 -6.325734e-06 1.813068e-03 5.141834e-04 0.000485 0.000060 True native_MD 7 148 231 + CG_AB42_16 C_AB42_25 1 0.000000e+00 6.325628e-06 ; 3.285390e-01 -6.325628e-06 1.813068e-03 5.141834e-04 0.000485 0.000060 True native_MD 7 148 231 CG_AB42_16 O_AB42_25 1 6.594422e-04 8.917648e-07 ; 3.325413e-01 1.219111e-01 2.293617e-03 6.066117e-04 0.000485 0.001191 True native_MD 7 148 232 - CG_AB42_16 N_AB42_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 148 233 + CG_AB42_16 N_AB42_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 148 233 CG_AB42_16 CA_AB42_26 1 4.953239e-03 4.480913e-05 ; 4.564707e-01 1.368838e-01 3.645756e-03 1.036730e-03 0.000485 0.001021 True native_MD 7 148 235 CG_AB42_16 CB_AB42_26 1 2.424259e-03 1.012376e-05 ; 4.012920e-01 1.451297e-01 4.595004e-03 1.072437e-03 0.000485 0.001190 True native_MD 7 148 236 - CG_AB42_16 OG_AB42_26 1 0.000000e+00 2.777187e-06 ; 3.067577e-01 -2.777187e-06 2.925815e-03 6.558786e-04 0.000485 0.000060 True native_MD 7 148 237 - CG_AB42_16 C_AB42_26 1 0.000000e+00 6.330681e-06 ; 3.285609e-01 -6.330681e-06 7.068971e-04 1.890015e-04 0.000485 0.000060 True native_MD 7 148 238 + CG_AB42_16 OG_AB42_26 1 0.000000e+00 2.777146e-06 ; 3.067573e-01 -2.777146e-06 2.925815e-03 6.558786e-04 0.000485 0.000060 True native_MD 7 148 237 + CG_AB42_16 C_AB42_26 1 0.000000e+00 6.330574e-06 ; 3.285604e-01 -6.330574e-06 7.068971e-04 1.890015e-04 0.000485 0.000060 True native_MD 7 148 238 CG_AB42_16 O_AB42_26 1 5.478326e-04 8.640084e-07 ; 3.411759e-01 8.683961e-02 8.029877e-04 1.506518e-04 0.000485 0.001191 True native_MD 7 148 239 - CG_AB42_16 N_AB42_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 148 240 + CG_AB42_16 N_AB42_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 148 240 CG_AB42_16 CA_AB42_27 1 4.340757e-03 3.744418e-05 ; 4.528661e-01 1.258017e-01 2.576836e-03 6.465529e-04 0.000485 0.001021 True native_MD 7 148 242 CG_AB42_16 CB_AB42_27 1 3.105587e-03 1.732317e-05 ; 4.211278e-01 1.391874e-01 3.846416e-03 5.775258e-04 0.000485 0.001190 True native_MD 7 148 243 - CG_AB42_16 CG_AB42_27 1 0.000000e+00 6.317057e-06 ; 3.285019e-01 -6.317057e-06 3.475558e-03 8.067132e-04 0.000485 0.000060 True native_MD 7 148 244 + CG_AB42_16 CG_AB42_27 1 0.000000e+00 6.316951e-06 ; 3.285015e-01 -6.316951e-06 3.475558e-03 8.067132e-04 0.000485 0.000060 True native_MD 7 148 244 CG_AB42_16 OD1_AB42_27 1 6.237470e-04 7.423054e-07 ; 3.255335e-01 1.310311e-01 3.013359e-03 6.289198e-04 0.000485 0.001191 True native_MD 7 148 245 - CG_AB42_16 ND2_AB42_27 1 0.000000e+00 6.319151e-06 ; 3.285110e-01 -6.319151e-06 3.274089e-03 1.399976e-03 0.000485 0.000060 True native_MD 7 148 246 + CG_AB42_16 ND2_AB42_27 1 0.000000e+00 6.319115e-06 ; 3.285108e-01 -6.319115e-06 3.274089e-03 1.399976e-03 0.000485 0.000060 True native_MD 7 148 246 CG_AB42_16 C_AB42_27 1 1.270746e-03 5.383321e-06 ; 4.022524e-01 7.499066e-02 1.497805e-03 1.587913e-04 0.000485 0.000060 True native_MD 7 148 247 CG_AB42_16 O_AB42_27 1 5.839489e-04 7.322556e-07 ; 3.283835e-01 1.164198e-01 1.946047e-03 2.923446e-04 0.000485 0.001191 True native_MD 7 148 248 CG_AB42_16 N_AB42_28 1 1.468414e-03 7.416134e-06 ; 4.142109e-01 7.268746e-02 5.257486e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 148 249 @@ -33391,10 +33391,10 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 CG_AB42_16 CG_AB42_28 1 1.402677e-03 4.318320e-06 ; 3.814107e-01 1.139045e-01 1.804937e-03 7.993688e-04 0.000485 0.001190 True native_MD 7 148 253 CG_AB42_16 CD_AB42_28 1 2.330892e-03 1.268659e-05 ; 4.194084e-01 1.070630e-01 1.470773e-03 8.313431e-04 0.000485 0.001190 True native_MD 7 148 254 CG_AB42_16 CE_AB42_28 1 1.510143e-03 6.208823e-06 ; 4.002505e-01 9.182620e-02 1.048376e-03 1.338536e-03 0.000485 0.001190 True native_MD 7 148 255 - CG_AB42_16 NZ_AB42_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 148 256 - CG_AB42_16 C_AB42_28 1 0.000000e+00 6.331430e-06 ; 3.285641e-01 -6.331430e-06 8.212644e-04 4.217449e-04 0.000485 0.000060 True native_MD 7 148 257 + CG_AB42_16 NZ_AB42_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 148 256 + CG_AB42_16 C_AB42_28 1 0.000000e+00 6.331324e-06 ; 3.285637e-01 -6.331324e-06 8.212644e-04 4.217449e-04 0.000485 0.000060 True native_MD 7 148 257 CG_AB42_16 O_AB42_28 1 7.833458e-04 1.515130e-06 ; 3.529794e-01 1.012505e-01 1.235955e-03 4.786797e-04 0.000485 0.001191 True native_MD 7 148 258 - CG_AB42_16 N_AB42_29 1 0.000000e+00 3.674764e-06 ; 3.140008e-01 -3.674764e-06 5.198977e-04 1.614450e-04 0.000485 0.000060 True native_MD 7 148 259 + CG_AB42_16 N_AB42_29 1 0.000000e+00 3.674716e-06 ; 3.140005e-01 -3.674716e-06 5.198977e-04 1.614450e-04 0.000485 0.000060 True native_MD 7 148 259 CG_AB42_16 CA_AB42_29 1 1.498394e-03 4.517883e-06 ; 3.800886e-01 1.242388e-01 2.459085e-03 7.984239e-04 0.000485 0.001190 True native_MD 7 148 261 CG_AB42_16 C_AB42_29 1 1.422960e-03 4.986944e-06 ; 3.897388e-01 1.015058e-01 1.852862e-03 8.883947e-05 0.000485 0.000060 True native_MD 7 148 262 CG_AB42_16 O_AB42_29 1 7.128757e-04 1.232129e-06 ; 3.464233e-01 1.031125e-01 1.306779e-03 1.059122e-04 0.000485 0.001191 True native_MD 7 148 263 @@ -33409,9 +33409,9 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 CG_AB42_16 CG1_AB42_31 1 2.479728e-03 1.171455e-05 ; 4.096254e-01 1.312268e-01 3.031063e-03 7.590824e-04 0.000485 0.001190 True native_MD 7 148 274 CG_AB42_16 CG2_AB42_31 1 1.688123e-03 5.265133e-06 ; 3.822383e-01 1.353128e-01 3.425299e-03 1.498825e-03 0.000485 0.002332 True native_MD 7 148 275 CG_AB42_16 CD_AB42_31 1 1.960420e-03 6.414866e-06 ; 3.853066e-01 1.497789e-01 5.280924e-03 1.282669e-03 0.000485 0.002332 True native_MD 7 148 276 - CG_AB42_16 C_AB42_31 1 0.000000e+00 6.327818e-06 ; 3.285485e-01 -6.327818e-06 1.202550e-03 2.327627e-04 0.000485 0.000060 True native_MD 7 148 277 + CG_AB42_16 C_AB42_31 1 0.000000e+00 6.327712e-06 ; 3.285481e-01 -6.327712e-06 1.202550e-03 2.327627e-04 0.000485 0.000060 True native_MD 7 148 277 CG_AB42_16 O_AB42_31 1 3.260171e-04 2.506897e-07 ; 3.026793e-01 1.059947e-01 1.424497e-03 3.075675e-04 0.000485 0.001191 True native_MD 7 148 278 - CG_AB42_16 N_AB42_32 1 0.000000e+00 3.674531e-06 ; 3.139992e-01 -3.674531e-06 4.901997e-04 6.836758e-05 0.000485 0.000060 True native_MD 7 148 279 + CG_AB42_16 N_AB42_32 1 0.000000e+00 3.674483e-06 ; 3.139988e-01 -3.674483e-06 4.901997e-04 6.836758e-05 0.000485 0.000060 True native_MD 7 148 279 CG_AB42_16 CA_AB42_32 1 5.241703e-03 4.925110e-05 ; 4.593643e-01 1.394662e-01 3.878637e-03 7.804195e-04 0.000485 0.001021 True native_MD 7 148 281 CG_AB42_16 CB_AB42_32 1 3.489862e-03 2.004423e-05 ; 4.231849e-01 1.519033e-01 5.627560e-03 8.010828e-04 0.000485 0.001021 True native_MD 7 148 282 CG_AB42_16 CG1_AB42_32 1 3.189901e-03 1.583647e-05 ; 4.130287e-01 1.606335e-01 7.307744e-03 8.471147e-04 0.000485 0.001190 True native_MD 7 148 283 @@ -33482,25 +33482,25 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 CG_AB42_16 C_AB42_42 1 9.184234e-04 2.505398e-06 ; 3.737997e-01 8.416841e-02 7.719106e-03 6.218108e-04 0.000485 0.000060 True native_MD 7 148 358 CG_AB42_16 O1_AB42_42 1 3.844962e-04 4.378516e-07 ; 3.231512e-01 8.441062e-02 3.809735e-03 3.046759e-04 0.000485 0.000060 True native_MD 7 148 359 CG_AB42_16 O2_AB42_42 1 3.844962e-04 4.378516e-07 ; 3.231512e-01 8.441062e-02 3.809735e-03 3.046759e-04 0.000485 0.000060 True native_MD 7 148 360 - CD_AB42_16 NZ_AB42_16 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 151 - CD_AB42_16 C_AB42_16 1 0.000000e+00 6.289003e-06 ; 3.283801e-01 -6.289003e-06 9.978236e-01 9.907256e-01 0.000485 0.000060 True native_MD 4 149 152 - CD_AB42_16 O_AB42_16 1 0.000000e+00 2.147130e-06 ; 3.002501e-01 -2.147130e-06 1.799107e-01 2.451368e-01 0.000485 0.000060 True native_MD 5 149 153 - CD_AB42_16 N_AB42_17 1 0.000000e+00 3.268480e-06 ; 3.109499e-01 -3.268480e-06 2.938100e-01 1.829306e-01 0.000485 0.000060 True native_MD 5 149 154 - CD_AB42_16 CA_AB42_17 1 0.000000e+00 2.927767e-05 ; 3.732843e-01 -2.927767e-05 2.337175e-01 1.540038e-01 0.000485 0.000060 True native_MD 6 149 156 + CD_AB42_16 NZ_AB42_16 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 151 + CD_AB42_16 C_AB42_16 1 0.000000e+00 6.288897e-06 ; 3.283796e-01 -6.288897e-06 9.978236e-01 9.907256e-01 0.000485 0.000060 True native_MD 4 149 152 + CD_AB42_16 O_AB42_16 1 0.000000e+00 2.147122e-06 ; 3.002500e-01 -2.147122e-06 1.799107e-01 2.451368e-01 0.000485 0.000060 True native_MD 5 149 153 + CD_AB42_16 N_AB42_17 1 0.000000e+00 3.268437e-06 ; 3.109496e-01 -3.268437e-06 2.938100e-01 1.829306e-01 0.000485 0.000060 True native_MD 5 149 154 + CD_AB42_16 CA_AB42_17 1 0.000000e+00 2.927754e-05 ; 3.732842e-01 -2.927754e-05 2.337175e-01 1.540038e-01 0.000485 0.000060 True native_MD 6 149 156 CD_AB42_16 CB_AB42_17 1 5.039779e-03 5.617943e-05 ; 4.726369e-01 1.130279e-01 2.415327e-02 1.635074e-02 0.000485 0.001190 True native_MD 7 149 157 - CD_AB42_16 CG_AB42_17 1 0.000000e+00 3.326944e-05 ; 3.772815e-01 -3.326944e-05 3.640624e-02 8.216610e-02 0.000485 0.001021 True native_MD 7 149 158 + CD_AB42_16 CG_AB42_17 1 0.000000e+00 3.326930e-05 ; 3.772813e-01 -3.326930e-05 3.640624e-02 8.216610e-02 0.000485 0.001021 True native_MD 7 149 158 CD_AB42_16 CD1_AB42_17 1 2.238130e-03 1.165938e-05 ; 4.163562e-01 1.074077e-01 1.163768e-02 1.826275e-02 0.000485 0.002332 True native_MD 7 149 159 CD_AB42_16 CD2_AB42_17 1 1.851462e-03 8.596619e-06 ; 4.084468e-01 9.968782e-02 1.806875e-02 3.572403e-02 0.000485 0.002332 True native_MD 7 149 160 - CD_AB42_16 C_AB42_17 1 0.000000e+00 6.014647e-06 ; 3.271617e-01 -6.014647e-06 6.352181e-02 1.310875e-02 0.000485 0.000060 True native_MD 7 149 161 + CD_AB42_16 C_AB42_17 1 0.000000e+00 6.014546e-06 ; 3.271613e-01 -6.014546e-06 6.352181e-02 1.310875e-02 0.000485 0.000060 True native_MD 7 149 161 CD_AB42_16 O_AB42_17 1 7.681375e-04 1.029024e-06 ; 3.320201e-01 1.433483e-01 7.952495e-02 2.173303e-02 0.000485 0.001191 True native_MD 7 149 162 - CD_AB42_16 N_AB42_18 1 0.000000e+00 3.663307e-06 ; 3.139191e-01 -3.663307e-06 1.598047e-02 1.250547e-02 0.000485 0.000060 True native_MD 7 149 163 + CD_AB42_16 N_AB42_18 1 0.000000e+00 3.663259e-06 ; 3.139188e-01 -3.663259e-06 1.598047e-02 1.250547e-02 0.000485 0.000060 True native_MD 7 149 163 CD_AB42_16 CA_AB42_18 1 6.380761e-03 8.423539e-05 ; 4.861501e-01 1.208344e-01 9.057494e-02 4.163661e-02 0.000485 0.001021 True native_MD 7 149 165 CD_AB42_16 CB_AB42_18 1 2.989937e-03 2.179593e-05 ; 4.403374e-01 1.025389e-01 7.580491e-02 6.024823e-02 0.000485 0.001021 True native_MD 7 149 166 CD_AB42_16 CG1_AB42_18 1 1.464600e-03 3.967361e-06 ; 3.733623e-01 1.351688e-01 4.353117e-02 2.976450e-02 0.000485 0.002332 True native_MD 7 149 167 CD_AB42_16 CG2_AB42_18 1 1.450997e-03 3.984334e-06 ; 3.742095e-01 1.321045e-01 7.913527e-02 5.930535e-02 0.000485 0.002332 True native_MD 7 149 168 - CD_AB42_16 C_AB42_18 1 0.000000e+00 6.143927e-06 ; 3.277421e-01 -6.143927e-06 4.823369e-02 1.823129e-02 0.000485 0.000060 True native_MD 7 149 169 + CD_AB42_16 C_AB42_18 1 0.000000e+00 6.143824e-06 ; 3.277416e-01 -6.143824e-06 4.823369e-02 1.823129e-02 0.000485 0.000060 True native_MD 7 149 169 CD_AB42_16 O_AB42_18 1 5.539988e-04 6.384372e-07 ; 3.237936e-01 1.201820e-01 6.013606e-02 3.287274e-02 0.000485 0.001191 True native_MD 7 149 170 - CD_AB42_16 N_AB42_19 1 0.000000e+00 3.636400e-06 ; 3.137263e-01 -3.636400e-06 1.491800e-02 4.123554e-03 0.000485 0.000060 True native_MD 7 149 171 + CD_AB42_16 N_AB42_19 1 0.000000e+00 3.636353e-06 ; 3.137260e-01 -3.636353e-06 1.491800e-02 4.123554e-03 0.000485 0.000060 True native_MD 7 149 171 CD_AB42_16 CA_AB42_19 1 5.627008e-03 4.946182e-05 ; 4.542889e-01 1.600387e-01 2.111157e-01 3.002353e-02 0.000485 0.001021 True native_MD 7 149 173 CD_AB42_16 CB_AB42_19 1 2.043506e-03 5.954728e-06 ; 3.779326e-01 1.753193e-01 2.586007e-01 2.714007e-02 0.000485 0.001190 True native_MD 7 149 174 CD_AB42_16 CG_AB42_19 1 2.073744e-03 5.319049e-06 ; 3.699813e-01 2.021233e-01 1.963779e-01 1.810668e-02 0.000485 0.002332 True native_MD 7 149 175 @@ -33511,7 +33511,7 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 CD_AB42_16 CZ_AB42_19 1 1.482123e-03 3.183227e-06 ; 3.591952e-01 1.725207e-01 1.095473e-01 2.449532e-02 0.000485 0.002332 True native_MD 7 149 180 CD_AB42_16 C_AB42_19 1 1.776013e-03 8.164939e-06 ; 4.077724e-01 9.657829e-02 7.045394e-02 3.914799e-03 0.000485 0.000060 True native_MD 7 149 181 CD_AB42_16 O_AB42_19 1 9.212054e-04 1.049143e-06 ; 3.231566e-01 2.022174e-01 8.637215e-02 4.054046e-03 0.000485 0.001191 True native_MD 7 149 182 - CD_AB42_16 N_AB42_20 1 0.000000e+00 3.647531e-06 ; 3.138062e-01 -3.647531e-06 9.661177e-03 1.894468e-03 0.000485 0.000060 True native_MD 7 149 183 + CD_AB42_16 N_AB42_20 1 0.000000e+00 3.647483e-06 ; 3.138059e-01 -3.647483e-06 9.661177e-03 1.894468e-03 0.000485 0.000060 True native_MD 7 149 183 CD_AB42_16 CA_AB42_20 1 5.789059e-03 4.536505e-05 ; 4.456756e-01 1.846863e-01 1.213679e-01 8.254850e-03 0.000485 0.001021 True native_MD 7 149 185 CD_AB42_16 CB_AB42_20 1 2.039998e-03 5.417347e-06 ; 3.721284e-01 1.920494e-01 1.434647e-01 9.126214e-03 0.000485 0.001190 True native_MD 7 149 186 CD_AB42_16 CG_AB42_20 1 2.349838e-03 6.616508e-06 ; 3.757784e-01 2.086349e-01 8.020023e-02 6.085439e-03 0.000485 0.002332 True native_MD 7 149 187 @@ -33534,7 +33534,7 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 CD_AB42_16 CD_AB42_22 1 7.707774e-04 1.752420e-06 ; 3.626198e-01 8.475390e-02 4.617184e-02 3.654762e-03 0.000485 0.000060 True native_MD 7 149 206 CD_AB42_16 OE1_AB42_22 1 2.910558e-04 2.606189e-07 ; 3.104595e-01 8.126183e-02 3.059513e-02 2.688558e-03 0.000485 0.000060 True native_MD 7 149 207 CD_AB42_16 OE2_AB42_22 1 2.910558e-04 2.606189e-07 ; 3.104595e-01 8.126183e-02 3.059513e-02 2.688558e-03 0.000485 0.000060 True native_MD 7 149 208 - CD_AB42_16 C_AB42_22 1 0.000000e+00 6.310654e-06 ; 3.284741e-01 -6.310654e-06 4.367631e-03 6.878783e-04 0.000485 0.000060 True native_MD 7 149 209 + CD_AB42_16 C_AB42_22 1 0.000000e+00 6.310548e-06 ; 3.284737e-01 -6.310548e-06 4.367631e-03 6.878783e-04 0.000485 0.000060 True native_MD 7 149 209 CD_AB42_16 O_AB42_22 1 7.082317e-04 9.680420e-07 ; 3.331346e-01 1.295378e-01 2.881663e-03 9.681359e-04 0.000485 0.001191 True native_MD 7 149 210 CD_AB42_16 N_AB42_23 1 8.424753e-04 1.925845e-06 ; 3.629477e-01 9.213678e-02 2.649267e-03 1.681337e-04 0.000485 0.000060 True native_MD 7 149 211 CD_AB42_16 CA_AB42_23 1 3.035202e-03 1.503787e-05 ; 4.128888e-01 1.531543e-01 1.014019e-02 1.771994e-03 0.000485 0.001021 True native_MD 7 149 213 @@ -33542,45 +33542,45 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 CD_AB42_16 CG_AB42_23 1 8.321566e-04 2.208513e-06 ; 3.720910e-01 7.838811e-02 2.586343e-02 2.476863e-03 0.000485 0.000060 True native_MD 7 149 215 CD_AB42_16 OD1_AB42_23 1 2.934588e-04 2.549563e-07 ; 3.089013e-01 8.444398e-02 1.972223e-02 1.575672e-03 0.000485 0.000060 True native_MD 7 149 216 CD_AB42_16 OD2_AB42_23 1 2.934588e-04 2.549563e-07 ; 3.089013e-01 8.444398e-02 1.972223e-02 1.575672e-03 0.000485 0.000060 True native_MD 7 149 217 - CD_AB42_16 C_AB42_23 1 0.000000e+00 6.322446e-06 ; 3.285253e-01 -6.322446e-06 2.168582e-03 3.506453e-04 0.000485 0.000060 True native_MD 7 149 218 + CD_AB42_16 C_AB42_23 1 0.000000e+00 6.322340e-06 ; 3.285248e-01 -6.322340e-06 2.168582e-03 3.506453e-04 0.000485 0.000060 True native_MD 7 149 218 CD_AB42_16 O_AB42_23 1 3.646187e-04 3.882228e-07 ; 3.195511e-01 8.561246e-02 7.740340e-04 3.503134e-04 0.000485 0.001191 True native_MD 7 149 219 CD_AB42_16 N_AB42_24 1 7.074509e-04 1.763538e-06 ; 3.682263e-01 7.094924e-02 1.818727e-03 2.176025e-04 0.000485 0.000060 True native_MD 7 149 220 CD_AB42_16 CA_AB42_24 1 4.278789e-03 3.517997e-05 ; 4.492580e-01 1.301027e-01 5.778621e-03 2.012956e-03 0.000485 0.001021 True native_MD 7 149 222 CD_AB42_16 CB_AB42_24 1 2.579686e-03 1.447609e-05 ; 4.215483e-01 1.149272e-01 7.363469e-03 4.039462e-03 0.000485 0.001021 True native_MD 7 149 223 CD_AB42_16 CG1_AB42_24 1 1.247619e-03 3.120877e-06 ; 3.684392e-01 1.246887e-01 4.329786e-03 4.051082e-03 0.000485 0.002332 True native_MD 7 149 224 CD_AB42_16 CG2_AB42_24 1 1.172266e-03 2.361281e-06 ; 3.553750e-01 1.454938e-01 5.569536e-03 2.795926e-03 0.000485 0.002332 True native_MD 7 149 225 - CD_AB42_16 C_AB42_24 1 0.000000e+00 6.318213e-06 ; 3.285069e-01 -6.318213e-06 3.279136e-03 7.928057e-04 0.000485 0.000060 True native_MD 7 149 226 + CD_AB42_16 C_AB42_24 1 0.000000e+00 6.318107e-06 ; 3.285065e-01 -6.318107e-06 3.279136e-03 7.928057e-04 0.000485 0.000060 True native_MD 7 149 226 CD_AB42_16 O_AB42_24 1 6.716766e-04 7.809385e-07 ; 3.242720e-01 1.444254e-01 4.499170e-03 9.573299e-04 0.000485 0.001191 True native_MD 7 149 227 - CD_AB42_16 N_AB42_25 1 0.000000e+00 3.673040e-06 ; 3.139885e-01 -3.673040e-06 1.268707e-03 4.411592e-04 0.000485 0.000060 True native_MD 7 149 228 + CD_AB42_16 N_AB42_25 1 0.000000e+00 3.672991e-06 ; 3.139882e-01 -3.672991e-06 1.268707e-03 4.411592e-04 0.000485 0.000060 True native_MD 7 149 228 CD_AB42_16 CA_AB42_25 1 1.802420e-03 6.631038e-06 ; 3.929050e-01 1.224814e-01 3.885642e-03 1.982257e-03 0.000485 0.001190 True native_MD 7 149 230 - CD_AB42_16 C_AB42_25 1 0.000000e+00 6.322532e-06 ; 3.285256e-01 -6.322532e-06 2.542523e-03 7.381746e-04 0.000485 0.000060 True native_MD 7 149 231 + CD_AB42_16 C_AB42_25 1 0.000000e+00 6.322426e-06 ; 3.285252e-01 -6.322426e-06 2.542523e-03 7.381746e-04 0.000485 0.000060 True native_MD 7 149 231 CD_AB42_16 O_AB42_25 1 4.760063e-04 4.488922e-07 ; 3.131518e-01 1.261895e-01 2.606913e-03 8.760141e-04 0.000485 0.001191 True native_MD 7 149 232 - CD_AB42_16 N_AB42_26 1 0.000000e+00 3.673716e-06 ; 3.139934e-01 -3.673716e-06 7.993614e-04 1.557407e-04 0.000485 0.000060 True native_MD 7 149 233 + CD_AB42_16 N_AB42_26 1 0.000000e+00 3.673667e-06 ; 3.139930e-01 -3.673667e-06 7.993614e-04 1.557407e-04 0.000485 0.000060 True native_MD 7 149 233 CD_AB42_16 CA_AB42_26 1 2.547940e-03 1.252339e-05 ; 4.123400e-01 1.295974e-01 4.089281e-03 1.446184e-03 0.000485 0.001021 True native_MD 7 149 235 CD_AB42_16 CB_AB42_26 1 1.974578e-03 7.429006e-06 ; 3.943750e-01 1.312073e-01 4.561905e-03 1.792408e-03 0.000485 0.001190 True native_MD 7 149 236 - CD_AB42_16 OG_AB42_26 1 0.000000e+00 2.777325e-06 ; 3.067589e-01 -2.777325e-06 3.473455e-03 1.252946e-03 0.000485 0.000060 True native_MD 7 149 237 - CD_AB42_16 C_AB42_26 1 0.000000e+00 6.332111e-06 ; 3.285671e-01 -6.332111e-06 8.130749e-04 5.209595e-04 0.000485 0.000060 True native_MD 7 149 238 + CD_AB42_16 OG_AB42_26 1 0.000000e+00 2.777283e-06 ; 3.067586e-01 -2.777283e-06 3.473455e-03 1.252946e-03 0.000485 0.000060 True native_MD 7 149 237 + CD_AB42_16 C_AB42_26 1 0.000000e+00 6.332004e-06 ; 3.285666e-01 -6.332004e-06 8.130749e-04 5.209595e-04 0.000485 0.000060 True native_MD 7 149 238 CD_AB42_16 O_AB42_26 1 5.340877e-04 7.725481e-07 ; 3.362938e-01 9.230805e-02 9.457590e-04 4.377870e-04 0.000485 0.001191 True native_MD 7 149 239 - CD_AB42_16 N_AB42_27 1 0.000000e+00 3.674468e-06 ; 3.139987e-01 -3.674468e-06 5.940790e-04 1.551479e-04 0.000485 0.000060 True native_MD 7 149 240 + CD_AB42_16 N_AB42_27 1 0.000000e+00 3.674420e-06 ; 3.139984e-01 -3.674420e-06 5.940790e-04 1.551479e-04 0.000485 0.000060 True native_MD 7 149 240 CD_AB42_16 CA_AB42_27 1 3.485941e-03 2.420927e-05 ; 4.367943e-01 1.254869e-01 2.897379e-03 1.158790e-03 0.000485 0.001021 True native_MD 7 149 242 CD_AB42_16 CB_AB42_27 1 2.903572e-03 1.519346e-05 ; 4.166653e-01 1.387230e-01 3.793326e-03 9.980525e-04 0.000485 0.001190 True native_MD 7 149 243 - CD_AB42_16 CG_AB42_27 1 0.000000e+00 6.319206e-06 ; 3.285112e-01 -6.319206e-06 3.547423e-03 1.217836e-03 0.000485 0.000060 True native_MD 7 149 244 + CD_AB42_16 CG_AB42_27 1 0.000000e+00 6.319099e-06 ; 3.285108e-01 -6.319099e-06 3.547423e-03 1.217836e-03 0.000485 0.000060 True native_MD 7 149 244 CD_AB42_16 OD1_AB42_27 1 5.501237e-04 5.603126e-07 ; 3.171965e-01 1.350300e-01 3.396435e-03 1.124666e-03 0.000485 0.001191 True native_MD 7 149 245 - CD_AB42_16 ND2_AB42_27 1 0.000000e+00 6.321509e-06 ; 3.285212e-01 -6.321509e-06 3.738791e-03 2.237143e-03 0.000485 0.000060 True native_MD 7 149 246 - CD_AB42_16 C_AB42_27 1 0.000000e+00 6.325973e-06 ; 3.285405e-01 -6.325973e-06 1.509944e-03 2.487355e-04 0.000485 0.000060 True native_MD 7 149 247 + CD_AB42_16 ND2_AB42_27 1 0.000000e+00 6.321473e-06 ; 3.285210e-01 -6.321473e-06 3.738791e-03 2.237143e-03 0.000485 0.000060 True native_MD 7 149 246 + CD_AB42_16 C_AB42_27 1 0.000000e+00 6.325866e-06 ; 3.285401e-01 -6.325866e-06 1.509944e-03 2.487355e-04 0.000485 0.000060 True native_MD 7 149 247 CD_AB42_16 O_AB42_27 1 4.069981e-04 3.804336e-07 ; 3.126903e-01 1.088544e-01 1.551771e-03 3.925123e-04 0.000485 0.001191 True native_MD 7 149 248 - CD_AB42_16 N_AB42_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 249 + CD_AB42_16 N_AB42_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 249 CD_AB42_16 CA_AB42_28 1 2.989364e-03 1.806211e-05 ; 4.267743e-01 1.236884e-01 2.737235e-03 1.155277e-03 0.000485 0.001021 True native_MD 7 149 251 CD_AB42_16 CB_AB42_28 1 2.043980e-03 9.008208e-06 ; 4.049117e-01 1.159457e-01 1.918630e-03 8.469764e-04 0.000485 0.001190 True native_MD 7 149 252 CD_AB42_16 CG_AB42_28 1 2.514322e-03 1.357077e-05 ; 4.188231e-01 1.164602e-01 1.948397e-03 8.791674e-04 0.000485 0.001190 True native_MD 7 149 253 CD_AB42_16 CD_AB42_28 1 2.012520e-03 9.096522e-06 ; 4.066204e-01 1.113128e-01 1.670239e-03 1.073014e-03 0.000485 0.001190 True native_MD 7 149 254 CD_AB42_16 CE_AB42_28 1 2.383190e-03 1.455297e-05 ; 4.275289e-01 9.756758e-02 1.343636e-03 1.444694e-03 0.000485 0.001190 True native_MD 7 149 255 - CD_AB42_16 NZ_AB42_28 1 0.000000e+00 3.678398e-06 ; 3.140267e-01 -3.678398e-06 6.281880e-04 1.258398e-03 0.000485 0.000060 True native_MD 7 149 256 - CD_AB42_16 C_AB42_28 1 0.000000e+00 6.329238e-06 ; 3.285547e-01 -6.329238e-06 1.300081e-03 5.543773e-04 0.000485 0.000060 True native_MD 7 149 257 + CD_AB42_16 NZ_AB42_28 1 0.000000e+00 3.678350e-06 ; 3.140263e-01 -3.678350e-06 6.281880e-04 1.258398e-03 0.000485 0.000060 True native_MD 7 149 256 + CD_AB42_16 C_AB42_28 1 0.000000e+00 6.329132e-06 ; 3.285542e-01 -6.329132e-06 1.300081e-03 5.543773e-04 0.000485 0.000060 True native_MD 7 149 257 CD_AB42_16 O_AB42_28 1 3.504604e-04 2.787187e-07 ; 3.043836e-01 1.101671e-01 1.613942e-03 7.175185e-04 0.000485 0.001191 True native_MD 7 149 258 - CD_AB42_16 N_AB42_29 1 0.000000e+00 3.674120e-06 ; 3.139962e-01 -3.674120e-06 8.070908e-04 2.733372e-04 0.000485 0.000060 True native_MD 7 149 259 + CD_AB42_16 N_AB42_29 1 0.000000e+00 3.674071e-06 ; 3.139959e-01 -3.674071e-06 8.070908e-04 2.733372e-04 0.000485 0.000060 True native_MD 7 149 259 CD_AB42_16 CA_AB42_29 1 1.736509e-03 6.327782e-06 ; 3.922796e-01 1.191358e-01 3.007178e-03 1.695657e-03 0.000485 0.001190 True native_MD 7 149 261 - CD_AB42_16 C_AB42_29 1 0.000000e+00 6.324978e-06 ; 3.285362e-01 -6.324978e-06 2.016968e-03 5.988059e-04 0.000485 0.000060 True native_MD 7 149 262 + CD_AB42_16 C_AB42_29 1 0.000000e+00 6.324872e-06 ; 3.285358e-01 -6.324872e-06 2.016968e-03 5.988059e-04 0.000485 0.000060 True native_MD 7 149 262 CD_AB42_16 O_AB42_29 1 6.880171e-04 1.086443e-06 ; 3.412463e-01 1.089260e-01 1.555102e-03 6.490536e-04 0.000485 0.001191 True native_MD 7 149 263 CD_AB42_16 N_AB42_30 1 1.624585e-03 6.043120e-06 ; 3.936285e-01 1.091851e-01 1.567206e-03 5.016655e-05 0.000485 0.000060 True native_MD 7 149 264 CD_AB42_16 CA_AB42_30 1 2.815889e-03 1.315058e-05 ; 4.088414e-01 1.507392e-01 8.344593e-03 1.567507e-03 0.000485 0.001021 True native_MD 7 149 266 @@ -33593,9 +33593,9 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 CD_AB42_16 CG1_AB42_31 1 1.846870e-03 6.308609e-06 ; 3.880755e-01 1.351696e-01 4.100118e-03 1.430834e-03 0.000485 0.001190 True native_MD 7 149 274 CD_AB42_16 CG2_AB42_31 1 1.368811e-03 3.380455e-06 ; 3.676534e-01 1.385645e-01 3.775375e-03 2.124040e-03 0.000485 0.002332 True native_MD 7 149 275 CD_AB42_16 CD_AB42_31 1 1.706006e-03 4.808846e-06 ; 3.758461e-01 1.513074e-01 5.528086e-03 2.093290e-03 0.000485 0.002332 True native_MD 7 149 276 - CD_AB42_16 C_AB42_31 1 0.000000e+00 6.327914e-06 ; 3.285489e-01 -6.327914e-06 1.286466e-03 3.318212e-04 0.000485 0.000060 True native_MD 7 149 277 + CD_AB42_16 C_AB42_31 1 0.000000e+00 6.327808e-06 ; 3.285485e-01 -6.327808e-06 1.286466e-03 3.318212e-04 0.000485 0.000060 True native_MD 7 149 277 CD_AB42_16 O_AB42_31 1 5.459971e-04 6.527383e-07 ; 3.257803e-01 1.141778e-01 1.819760e-03 5.506372e-04 0.000485 0.001191 True native_MD 7 149 278 - CD_AB42_16 N_AB42_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 279 + CD_AB42_16 N_AB42_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 279 CD_AB42_16 CA_AB42_32 1 7.333020e-03 9.004755e-05 ; 4.803209e-01 1.492911e-01 6.123823e-03 1.201288e-03 0.000485 0.001021 True native_MD 7 149 281 CD_AB42_16 CB_AB42_32 1 5.594078e-03 5.435712e-05 ; 4.619426e-01 1.439265e-01 7.140849e-03 1.644738e-03 0.000485 0.001021 True native_MD 7 149 282 CD_AB42_16 CG1_AB42_32 1 2.880727e-03 1.235208e-05 ; 4.030631e-01 1.679593e-01 9.509425e-03 1.243915e-03 0.000485 0.001190 True native_MD 7 149 283 @@ -33666,25 +33666,25 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 CD_AB42_16 C_AB42_42 1 8.527236e-04 1.749209e-06 ; 3.564557e-01 1.039238e-01 1.865784e-02 8.321449e-04 0.000485 0.000060 True native_MD 7 149 358 CD_AB42_16 O1_AB42_42 1 3.142546e-04 2.540965e-07 ; 3.052246e-01 9.716384e-02 1.284452e-02 7.013130e-04 0.000485 0.000060 True native_MD 7 149 359 CD_AB42_16 O2_AB42_42 1 3.142546e-04 2.540965e-07 ; 3.052246e-01 9.716384e-02 1.284452e-02 7.013130e-04 0.000485 0.000060 True native_MD 7 149 360 - CE_AB42_16 NZ_AB42_16 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 150 151 - CE_AB42_16 C_AB42_16 1 0.000000e+00 7.189326e-06 ; 3.320619e-01 -7.189326e-06 1.493146e-01 2.843589e-01 0.000485 0.000060 True native_MD 5 150 152 - CE_AB42_16 O_AB42_16 1 0.000000e+00 2.085778e-06 ; 2.995256e-01 -2.085778e-06 1.698900e-02 5.177764e-02 0.000485 0.000060 True native_MD 6 150 153 - CE_AB42_16 N_AB42_17 1 0.000000e+00 3.656494e-06 ; 3.138704e-01 -3.656494e-06 3.742466e-02 3.209624e-02 0.000485 0.000060 True native_MD 6 150 154 + CE_AB42_16 NZ_AB42_16 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 150 151 + CE_AB42_16 C_AB42_16 1 0.000000e+00 7.189206e-06 ; 3.320614e-01 -7.189206e-06 1.493146e-01 2.843589e-01 0.000485 0.000060 True native_MD 5 150 152 + CE_AB42_16 O_AB42_16 1 0.000000e+00 2.085770e-06 ; 2.995256e-01 -2.085770e-06 1.698900e-02 5.177764e-02 0.000485 0.000060 True native_MD 6 150 153 + CE_AB42_16 N_AB42_17 1 0.000000e+00 3.656446e-06 ; 3.138701e-01 -3.656446e-06 3.742466e-02 3.209624e-02 0.000485 0.000060 True native_MD 6 150 154 CE_AB42_16 CA_AB42_17 1 5.642044e-03 7.631744e-05 ; 4.881252e-01 1.042772e-01 5.913354e-02 4.461588e-02 0.000485 0.001021 True native_MD 7 150 156 CE_AB42_16 CB_AB42_17 1 3.262832e-03 3.123719e-05 ; 4.608004e-01 8.520350e-02 7.236590e-03 1.126471e-02 0.000485 0.001190 True native_MD 7 150 157 - CE_AB42_16 CG_AB42_17 1 0.000000e+00 3.295645e-05 ; 3.769844e-01 -3.295645e-05 2.376157e-02 5.968301e-02 0.000485 0.001021 True native_MD 7 150 158 + CE_AB42_16 CG_AB42_17 1 0.000000e+00 3.295631e-05 ; 3.769843e-01 -3.295631e-05 2.376157e-02 5.968301e-02 0.000485 0.001021 True native_MD 7 150 158 CE_AB42_16 CD1_AB42_17 1 1.535544e-03 5.727984e-06 ; 3.938129e-01 1.029113e-01 1.148755e-02 2.062365e-02 0.000485 0.002332 True native_MD 7 150 159 CE_AB42_16 CD2_AB42_17 1 1.402934e-03 5.090760e-06 ; 3.920043e-01 9.665671e-02 1.475930e-02 3.195158e-02 0.000485 0.002332 True native_MD 7 150 160 - CE_AB42_16 C_AB42_17 1 0.000000e+00 6.142574e-06 ; 3.277360e-01 -6.142574e-06 3.716438e-02 6.948414e-03 0.000485 0.000060 True native_MD 7 150 161 + CE_AB42_16 C_AB42_17 1 0.000000e+00 6.142471e-06 ; 3.277356e-01 -6.142471e-06 3.716438e-02 6.948414e-03 0.000485 0.000060 True native_MD 7 150 161 CE_AB42_16 O_AB42_17 1 6.048793e-04 6.484125e-07 ; 3.199119e-01 1.410672e-01 5.520280e-02 1.615191e-02 0.000485 0.001191 True native_MD 7 150 162 - CE_AB42_16 N_AB42_18 1 0.000000e+00 3.670957e-06 ; 3.139737e-01 -3.670957e-06 6.531341e-03 5.137389e-03 0.000485 0.000060 True native_MD 7 150 163 + CE_AB42_16 N_AB42_18 1 0.000000e+00 3.670909e-06 ; 3.139734e-01 -3.670909e-06 6.531341e-03 5.137389e-03 0.000485 0.000060 True native_MD 7 150 163 CE_AB42_16 CA_AB42_18 1 5.636386e-03 6.349225e-05 ; 4.734637e-01 1.250895e-01 8.215668e-02 3.325122e-02 0.000485 0.001021 True native_MD 7 150 165 CE_AB42_16 CB_AB42_18 1 3.055658e-03 2.071937e-05 ; 4.350561e-01 1.126608e-01 7.493444e-02 4.399237e-02 0.000485 0.001021 True native_MD 7 150 166 CE_AB42_16 CG1_AB42_18 1 1.345634e-03 3.392763e-06 ; 3.689247e-01 1.334260e-01 3.641258e-02 2.623011e-02 0.000485 0.002332 True native_MD 7 150 167 CE_AB42_16 CG2_AB42_18 1 1.319123e-03 3.224729e-06 ; 3.670298e-01 1.349018e-01 5.927250e-02 4.085280e-02 0.000485 0.002332 True native_MD 7 150 168 - CE_AB42_16 C_AB42_18 1 0.000000e+00 6.144038e-06 ; 3.277425e-01 -6.144038e-06 4.448439e-02 1.449952e-02 0.000485 0.000060 True native_MD 7 150 169 + CE_AB42_16 C_AB42_18 1 0.000000e+00 6.143935e-06 ; 3.277421e-01 -6.143935e-06 4.448439e-02 1.449952e-02 0.000485 0.000060 True native_MD 7 150 169 CE_AB42_16 O_AB42_18 1 3.307468e-04 2.146835e-07 ; 2.942505e-01 1.273892e-01 5.129011e-02 2.259776e-02 0.000485 0.001191 True native_MD 7 150 170 - CE_AB42_16 N_AB42_19 1 0.000000e+00 3.622739e-06 ; 3.136279e-01 -3.622739e-06 1.781567e-02 3.304967e-03 0.000485 0.000060 True native_MD 7 150 171 + CE_AB42_16 N_AB42_19 1 0.000000e+00 3.622691e-06 ; 3.136276e-01 -3.622691e-06 1.781567e-02 3.304967e-03 0.000485 0.000060 True native_MD 7 150 171 CE_AB42_16 CA_AB42_19 1 3.367861e-03 1.912755e-05 ; 4.223938e-01 1.482481e-01 1.099863e-01 2.225968e-02 0.000485 0.001021 True native_MD 7 150 173 CE_AB42_16 CB_AB42_19 1 2.395078e-03 8.351921e-06 ; 3.894136e-01 1.717089e-01 1.626623e-01 1.901914e-02 0.000485 0.001190 True native_MD 7 150 174 CE_AB42_16 CG_AB42_19 1 1.769097e-03 4.050898e-06 ; 3.630501e-01 1.931488e-01 1.047743e-01 1.263685e-02 0.000485 0.002332 True native_MD 7 150 175 @@ -33695,7 +33695,7 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 CE_AB42_16 CZ_AB42_19 1 1.389196e-03 2.847549e-06 ; 3.564112e-01 1.694321e-01 8.448890e-02 2.072154e-02 0.000485 0.002332 True native_MD 7 150 180 CE_AB42_16 C_AB42_19 1 1.035636e-03 3.790930e-06 ; 3.925754e-01 7.073080e-02 3.350180e-02 4.034628e-03 0.000485 0.000060 True native_MD 7 150 181 CE_AB42_16 O_AB42_19 1 5.460930e-04 4.223844e-07 ; 3.029751e-01 1.765084e-01 3.127959e-02 3.168886e-03 0.000485 0.001191 True native_MD 7 150 182 - CE_AB42_16 N_AB42_20 1 0.000000e+00 3.643139e-06 ; 3.137747e-01 -3.643139e-06 1.086654e-02 1.905274e-03 0.000485 0.000060 True native_MD 7 150 183 + CE_AB42_16 N_AB42_20 1 0.000000e+00 3.643091e-06 ; 3.137744e-01 -3.643091e-06 1.086654e-02 1.905274e-03 0.000485 0.000060 True native_MD 7 150 183 CE_AB42_16 CA_AB42_20 1 6.281804e-03 5.759750e-05 ; 4.574952e-01 1.712794e-01 8.019214e-02 8.146700e-03 0.000485 0.001021 True native_MD 7 150 185 CE_AB42_16 CB_AB42_20 1 2.693512e-03 9.860231e-06 ; 3.925799e-01 1.839462e-01 1.103146e-01 8.943205e-03 0.000485 0.001190 True native_MD 7 150 186 CE_AB42_16 CG_AB42_20 1 2.180438e-03 6.244540e-06 ; 3.768421e-01 1.903386e-01 5.047453e-02 6.621856e-03 0.000485 0.002332 True native_MD 7 150 187 @@ -33718,7 +33718,7 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 CE_AB42_16 CD_AB42_22 1 7.134820e-04 1.415954e-06 ; 3.544957e-01 8.987875e-02 6.665686e-02 4.526065e-03 0.000485 0.000060 True native_MD 7 150 206 CE_AB42_16 OE1_AB42_22 1 2.565961e-04 1.748598e-07 ; 2.966470e-01 9.413483e-02 4.681860e-02 2.798849e-03 0.000485 0.000060 True native_MD 7 150 207 CE_AB42_16 OE2_AB42_22 1 2.565961e-04 1.748598e-07 ; 2.966470e-01 9.413483e-02 4.681860e-02 2.798849e-03 0.000485 0.000060 True native_MD 7 150 208 - CE_AB42_16 C_AB42_22 1 0.000000e+00 6.298022e-06 ; 3.284193e-01 -6.298022e-06 6.727644e-03 1.053603e-03 0.000485 0.000060 True native_MD 7 150 209 + CE_AB42_16 C_AB42_22 1 0.000000e+00 6.297916e-06 ; 3.284188e-01 -6.297916e-06 6.727644e-03 1.053603e-03 0.000485 0.000060 True native_MD 7 150 209 CE_AB42_16 O_AB42_22 1 3.847297e-04 2.639161e-07 ; 2.969740e-01 1.402121e-01 4.116109e-03 1.235559e-03 0.000485 0.001191 True native_MD 7 150 210 CE_AB42_16 N_AB42_23 1 9.629025e-04 2.614213e-06 ; 3.735022e-01 8.866733e-02 5.442081e-03 3.831646e-04 0.000485 0.000060 True native_MD 7 150 211 CE_AB42_16 CA_AB42_23 1 3.718604e-03 2.102220e-05 ; 4.220686e-01 1.644453e-01 2.024555e-02 2.523478e-03 0.000485 0.001021 True native_MD 7 150 213 @@ -33726,66 +33726,66 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 CE_AB42_16 CG_AB42_23 1 5.787786e-04 1.018052e-06 ; 3.474371e-01 8.226120e-02 3.856774e-02 3.289295e-03 0.000485 0.000060 True native_MD 7 150 215 CE_AB42_16 OD1_AB42_23 1 2.201669e-04 1.368341e-07 ; 2.921284e-01 8.856247e-02 3.184269e-02 2.249018e-03 0.000485 0.000060 True native_MD 7 150 216 CE_AB42_16 OD2_AB42_23 1 2.201669e-04 1.368341e-07 ; 2.921284e-01 8.856247e-02 3.184269e-02 2.249018e-03 0.000485 0.000060 True native_MD 7 150 217 - CE_AB42_16 C_AB42_23 1 0.000000e+00 6.321274e-06 ; 3.285202e-01 -6.321274e-06 2.719481e-03 7.164937e-04 0.000485 0.000060 True native_MD 7 150 218 + CE_AB42_16 C_AB42_23 1 0.000000e+00 6.321168e-06 ; 3.285197e-01 -6.321168e-06 2.719481e-03 7.164937e-04 0.000485 0.000060 True native_MD 7 150 218 CE_AB42_16 O_AB42_23 1 3.571347e-04 3.082217e-07 ; 3.085592e-01 1.034525e-01 1.320144e-03 8.957463e-04 0.000485 0.001191 True native_MD 7 150 219 - CE_AB42_16 N_AB42_24 1 0.000000e+00 3.669342e-06 ; 3.139622e-01 -3.669342e-06 2.246025e-03 4.125362e-04 0.000485 0.000060 True native_MD 7 150 220 + CE_AB42_16 N_AB42_24 1 0.000000e+00 3.669293e-06 ; 3.139618e-01 -3.669293e-06 2.246025e-03 4.125362e-04 0.000485 0.000060 True native_MD 7 150 220 CE_AB42_16 CA_AB42_24 1 3.967357e-03 2.987051e-05 ; 4.427143e-01 1.317346e-01 7.949580e-03 2.637206e-03 0.000485 0.001021 True native_MD 7 150 222 CE_AB42_16 CB_AB42_24 1 1.767428e-03 6.806176e-06 ; 3.959074e-01 1.147414e-01 8.928377e-03 4.925247e-03 0.000485 0.001021 True native_MD 7 150 223 CE_AB42_16 CG1_AB42_24 1 1.511941e-03 4.557254e-06 ; 3.800681e-01 1.254026e-01 5.020110e-03 4.597688e-03 0.000485 0.002332 True native_MD 7 150 224 CE_AB42_16 CG2_AB42_24 1 1.443741e-03 3.812793e-06 ; 3.717854e-01 1.366707e-01 5.878006e-03 3.842454e-03 0.000485 0.002332 True native_MD 7 150 225 - CE_AB42_16 C_AB42_24 1 0.000000e+00 6.304367e-06 ; 3.284469e-01 -6.304367e-06 5.544015e-03 8.717008e-04 0.000485 0.000060 True native_MD 7 150 226 + CE_AB42_16 C_AB42_24 1 0.000000e+00 6.304261e-06 ; 3.284464e-01 -6.304261e-06 5.544015e-03 8.717008e-04 0.000485 0.000060 True native_MD 7 150 226 CE_AB42_16 O_AB42_24 1 4.203504e-04 2.820157e-07 ; 2.958764e-01 1.566354e-01 6.483671e-03 8.957840e-04 0.000485 0.001191 True native_MD 7 150 227 - CE_AB42_16 N_AB42_25 1 0.000000e+00 3.673894e-06 ; 3.139946e-01 -3.673894e-06 1.109804e-03 5.146286e-04 0.000485 0.000060 True native_MD 7 150 228 + CE_AB42_16 N_AB42_25 1 0.000000e+00 3.673845e-06 ; 3.139943e-01 -3.673845e-06 1.109804e-03 5.146286e-04 0.000485 0.000060 True native_MD 7 150 228 CE_AB42_16 CA_AB42_25 1 2.217561e-03 9.671731e-06 ; 4.042079e-01 1.271121e-01 4.823962e-03 2.142484e-03 0.000485 0.001190 True native_MD 7 150 230 - CE_AB42_16 C_AB42_25 1 0.000000e+00 6.322172e-06 ; 3.285241e-01 -6.322172e-06 2.677454e-03 8.162377e-04 0.000485 0.000060 True native_MD 7 150 231 + CE_AB42_16 C_AB42_25 1 0.000000e+00 6.322066e-06 ; 3.285236e-01 -6.322066e-06 2.677454e-03 8.162377e-04 0.000485 0.000060 True native_MD 7 150 231 CE_AB42_16 O_AB42_25 1 3.672458e-04 2.646241e-07 ; 2.994186e-01 1.274161e-01 2.704383e-03 1.007376e-03 0.000485 0.001191 True native_MD 7 150 232 - CE_AB42_16 N_AB42_26 1 0.000000e+00 3.673313e-06 ; 3.139905e-01 -3.673313e-06 1.004428e-03 2.512465e-04 0.000485 0.000060 True native_MD 7 150 233 + CE_AB42_16 N_AB42_26 1 0.000000e+00 3.673265e-06 ; 3.139901e-01 -3.673265e-06 1.004428e-03 2.512465e-04 0.000485 0.000060 True native_MD 7 150 233 CE_AB42_16 CA_AB42_26 1 3.567543e-03 2.588491e-05 ; 4.399935e-01 1.229226e-01 5.240509e-03 2.263085e-03 0.000485 0.001021 True native_MD 7 150 235 CE_AB42_16 CB_AB42_26 1 2.350130e-03 1.128641e-05 ; 4.107497e-01 1.223399e-01 4.463414e-03 2.286672e-03 0.000485 0.001190 True native_MD 7 150 236 - CE_AB42_16 OG_AB42_26 1 0.000000e+00 2.777216e-06 ; 3.067579e-01 -2.777216e-06 3.858964e-03 1.599492e-03 0.000485 0.000060 True native_MD 7 150 237 - CE_AB42_16 C_AB42_26 1 0.000000e+00 6.325415e-06 ; 3.285381e-01 -6.325415e-06 1.819307e-03 4.700323e-04 0.000485 0.000060 True native_MD 7 150 238 + CE_AB42_16 OG_AB42_26 1 0.000000e+00 2.777175e-06 ; 3.067576e-01 -2.777175e-06 3.858964e-03 1.599492e-03 0.000485 0.000060 True native_MD 7 150 237 + CE_AB42_16 C_AB42_26 1 0.000000e+00 6.325309e-06 ; 3.285376e-01 -6.325309e-06 1.819307e-03 4.700323e-04 0.000485 0.000060 True native_MD 7 150 238 CE_AB42_16 O_AB42_26 1 4.652206e-04 5.276084e-07 ; 3.229303e-01 1.025525e-01 1.285062e-03 7.183935e-04 0.000485 0.001191 True native_MD 7 150 239 CE_AB42_16 N_AB42_27 1 6.473551e-04 1.321851e-06 ; 3.561831e-01 7.925794e-02 6.399891e-04 8.386695e-06 0.000485 0.000060 True native_MD 7 150 240 CE_AB42_16 CA_AB42_27 1 3.495048e-03 2.519760e-05 ; 4.395258e-01 1.211957e-01 3.245214e-03 1.475757e-03 0.000485 0.001021 True native_MD 7 150 242 CE_AB42_16 CB_AB42_27 1 3.042748e-03 1.848552e-05 ; 4.271637e-01 1.252103e-01 3.598315e-03 1.691725e-03 0.000485 0.001190 True native_MD 7 150 243 - CE_AB42_16 CG_AB42_27 1 0.000000e+00 6.325509e-06 ; 3.285385e-01 -6.325509e-06 3.579195e-03 2.244766e-03 0.000485 0.000060 True native_MD 7 150 244 + CE_AB42_16 CG_AB42_27 1 0.000000e+00 6.325403e-06 ; 3.285381e-01 -6.325403e-06 3.579195e-03 2.244766e-03 0.000485 0.000060 True native_MD 7 150 244 CE_AB42_16 OD1_AB42_27 1 3.703763e-04 2.681066e-07 ; 2.996475e-01 1.279142e-01 3.428346e-03 1.486938e-03 0.000485 0.001191 True native_MD 7 150 245 - CE_AB42_16 ND2_AB42_27 1 0.000000e+00 6.323956e-06 ; 3.285318e-01 -6.323956e-06 3.897029e-03 2.781937e-03 0.000485 0.000060 True native_MD 7 150 246 - CE_AB42_16 C_AB42_27 1 0.000000e+00 6.329406e-06 ; 3.285554e-01 -6.329406e-06 1.052791e-03 3.336926e-04 0.000485 0.000060 True native_MD 7 150 247 + CE_AB42_16 ND2_AB42_27 1 0.000000e+00 6.323921e-06 ; 3.285316e-01 -6.323921e-06 3.897029e-03 2.781937e-03 0.000485 0.000060 True native_MD 7 150 246 + CE_AB42_16 C_AB42_27 1 0.000000e+00 6.329300e-06 ; 3.285549e-01 -6.329300e-06 1.052791e-03 3.336926e-04 0.000485 0.000060 True native_MD 7 150 247 CE_AB42_16 O_AB42_27 1 3.736545e-04 3.710619e-07 ; 3.158610e-01 9.406631e-02 9.968548e-04 4.882690e-04 0.000485 0.001191 True native_MD 7 150 248 - CE_AB42_16 N_AB42_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 150 249 + CE_AB42_16 N_AB42_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 150 249 CE_AB42_16 CA_AB42_28 1 4.904892e-03 5.074383e-05 ; 4.667944e-01 1.185265e-01 2.484289e-03 1.223667e-03 0.000485 0.001021 True native_MD 7 150 251 CE_AB42_16 CB_AB42_28 1 3.003228e-03 2.054014e-05 ; 4.356815e-01 1.097775e-01 1.595237e-03 1.165543e-03 0.000485 0.001190 True native_MD 7 150 252 CE_AB42_16 CG_AB42_28 1 2.336076e-03 1.372087e-05 ; 4.247654e-01 9.943343e-02 1.170541e-03 1.060915e-03 0.000485 0.001190 True native_MD 7 150 253 CE_AB42_16 CD_AB42_28 1 1.827817e-03 9.440509e-06 ; 4.157611e-01 8.847281e-02 9.566506e-04 1.350359e-03 0.000485 0.001190 True native_MD 7 150 254 CE_AB42_16 CE_AB42_28 1 3.282775e-03 2.866216e-05 ; 4.537793e-01 9.399683e-02 1.367002e-03 1.635578e-03 0.000485 0.001190 True native_MD 7 150 255 - CE_AB42_16 NZ_AB42_28 1 0.000000e+00 3.677414e-06 ; 3.140197e-01 -3.677414e-06 6.306955e-04 9.930524e-04 0.000485 0.000060 True native_MD 7 150 256 - CE_AB42_16 C_AB42_28 1 0.000000e+00 6.327305e-06 ; 3.285463e-01 -6.327305e-06 1.585505e-03 5.346383e-04 0.000485 0.000060 True native_MD 7 150 257 + CE_AB42_16 NZ_AB42_28 1 0.000000e+00 3.677365e-06 ; 3.140193e-01 -3.677365e-06 6.306955e-04 9.930524e-04 0.000485 0.000060 True native_MD 7 150 256 + CE_AB42_16 C_AB42_28 1 0.000000e+00 6.327199e-06 ; 3.285458e-01 -6.327199e-06 1.585505e-03 5.346383e-04 0.000485 0.000060 True native_MD 7 150 257 CE_AB42_16 O_AB42_28 1 1.874695e-04 8.180844e-08 ; 2.754089e-01 1.073997e-01 1.485668e-03 6.367723e-04 0.000485 0.001191 True native_MD 7 150 258 - CE_AB42_16 N_AB42_29 1 0.000000e+00 3.672549e-06 ; 3.139850e-01 -3.672549e-06 1.285530e-03 3.245270e-04 0.000485 0.000060 True native_MD 7 150 259 + CE_AB42_16 N_AB42_29 1 0.000000e+00 3.672501e-06 ; 3.139847e-01 -3.672501e-06 1.285530e-03 3.245270e-04 0.000485 0.000060 True native_MD 7 150 259 CE_AB42_16 CA_AB42_29 1 1.738841e-03 6.713018e-06 ; 3.960740e-01 1.126010e-01 2.852144e-03 1.955607e-03 0.000485 0.001190 True native_MD 7 150 261 - CE_AB42_16 C_AB42_29 1 0.000000e+00 6.326353e-06 ; 3.285422e-01 -6.326353e-06 1.876062e-03 6.749891e-04 0.000485 0.000060 True native_MD 7 150 262 + CE_AB42_16 C_AB42_29 1 0.000000e+00 6.326247e-06 ; 3.285417e-01 -6.326247e-06 1.876062e-03 6.749891e-04 0.000485 0.000060 True native_MD 7 150 262 CE_AB42_16 O_AB42_29 1 4.437021e-04 4.420047e-07 ; 3.160258e-01 1.113515e-01 1.672174e-03 5.531520e-04 0.000485 0.001191 True native_MD 7 150 263 CE_AB42_16 N_AB42_30 1 1.039506e-03 3.812458e-06 ; 3.927019e-01 7.085798e-02 1.107265e-03 1.328416e-04 0.000485 0.000060 True native_MD 7 150 264 CE_AB42_16 CA_AB42_30 1 2.922537e-03 1.588451e-05 ; 4.193104e-01 1.344269e-01 6.707773e-03 2.052994e-03 0.000485 0.001021 True native_MD 7 150 266 CE_AB42_16 CB_AB42_30 1 2.266816e-03 8.439762e-06 ; 3.936881e-01 1.522096e-01 5.679387e-03 1.694701e-03 0.000485 0.002332 True native_MD 7 150 267 - CE_AB42_16 C_AB42_30 1 0.000000e+00 6.324012e-06 ; 3.285320e-01 -6.324012e-06 2.113754e-03 5.430728e-04 0.000485 0.000060 True native_MD 7 150 268 + CE_AB42_16 C_AB42_30 1 0.000000e+00 6.323906e-06 ; 3.285316e-01 -6.323906e-06 2.113754e-03 5.430728e-04 0.000485 0.000060 True native_MD 7 150 268 CE_AB42_16 O_AB42_30 1 3.947949e-04 3.376895e-07 ; 3.080995e-01 1.153893e-01 1.886947e-03 7.012684e-04 0.000485 0.001191 True native_MD 7 150 269 - CE_AB42_16 N_AB42_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 150 270 + CE_AB42_16 N_AB42_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 150 270 CE_AB42_16 CA_AB42_31 1 4.860736e-03 5.185430e-05 ; 4.691882e-01 1.139093e-01 2.600324e-03 1.470608e-03 0.000485 0.001021 True native_MD 7 150 272 CE_AB42_16 CB_AB42_31 1 3.758746e-03 3.209818e-05 ; 4.521053e-01 1.100387e-01 3.755038e-03 2.384452e-03 0.000485 0.001021 True native_MD 7 150 273 CE_AB42_16 CG1_AB42_31 1 2.581285e-03 1.345030e-05 ; 4.163731e-01 1.238454e-01 3.060249e-03 1.498740e-03 0.000485 0.001190 True native_MD 7 150 274 CE_AB42_16 CG2_AB42_31 1 1.360132e-03 3.590338e-06 ; 3.717569e-01 1.288152e-01 2.820014e-03 2.240776e-03 0.000485 0.002332 True native_MD 7 150 275 CE_AB42_16 CD_AB42_31 1 1.579405e-03 4.382041e-06 ; 3.748554e-01 1.423150e-01 4.253658e-03 2.348462e-03 0.000485 0.002332 True native_MD 7 150 276 - CE_AB42_16 C_AB42_31 1 0.000000e+00 6.328718e-06 ; 3.285524e-01 -6.328718e-06 1.124517e-03 2.968119e-04 0.000485 0.000060 True native_MD 7 150 277 + CE_AB42_16 C_AB42_31 1 0.000000e+00 6.328612e-06 ; 3.285519e-01 -6.328612e-06 1.124517e-03 2.968119e-04 0.000485 0.000060 True native_MD 7 150 277 CE_AB42_16 O_AB42_31 1 3.801421e-04 3.683415e-07 ; 3.145701e-01 9.808020e-02 1.124085e-03 4.723845e-04 0.000485 0.001191 True native_MD 7 150 278 - CE_AB42_16 N_AB42_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 150 279 + CE_AB42_16 N_AB42_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 150 279 CE_AB42_16 CA_AB42_32 1 4.712691e-03 3.958103e-05 ; 4.508544e-01 1.402784e-01 5.921139e-03 1.521123e-03 0.000485 0.001021 True native_MD 7 150 281 CE_AB42_16 CB_AB42_32 1 4.475927e-03 3.494972e-05 ; 4.454102e-01 1.433053e-01 8.080312e-03 1.896041e-03 0.000485 0.001021 True native_MD 7 150 282 CE_AB42_16 CG1_AB42_32 1 2.665819e-03 1.124450e-05 ; 4.019619e-01 1.580015e-01 1.004515e-02 1.770156e-03 0.000485 0.001190 True native_MD 7 150 283 CE_AB42_16 CG2_AB42_32 1 2.722541e-03 1.164179e-05 ; 4.028787e-01 1.591728e-01 6.995186e-03 1.926651e-03 0.000485 0.002332 True native_MD 7 150 284 CE_AB42_16 CD_AB42_32 1 1.778530e-03 4.208240e-06 ; 3.650395e-01 1.879152e-01 1.957204e-02 2.760616e-03 0.000485 0.002332 True native_MD 7 150 285 - CE_AB42_16 C_AB42_32 1 0.000000e+00 6.308687e-06 ; 3.284656e-01 -6.308687e-06 4.599862e-03 6.096934e-04 0.000485 0.000060 True native_MD 7 150 286 + CE_AB42_16 C_AB42_32 1 0.000000e+00 6.308582e-06 ; 3.284652e-01 -6.308582e-06 4.599862e-03 6.096934e-04 0.000485 0.000060 True native_MD 7 150 286 CE_AB42_16 O_AB42_32 1 4.422560e-04 3.283284e-07 ; 3.009117e-01 1.489289e-01 5.148288e-03 8.252115e-04 0.000485 0.001191 True native_MD 7 150 287 CE_AB42_16 N_AB42_33 1 1.339128e-03 6.055677e-06 ; 4.066525e-01 7.403232e-02 2.529181e-03 2.759349e-04 0.000485 0.000060 True native_MD 7 150 288 CE_AB42_16 CA_AB42_33 1 3.091789e-03 1.355736e-05 ; 4.045705e-01 1.762726e-01 1.400793e-02 1.428780e-03 0.000485 0.001190 True native_MD 7 150 290 @@ -33851,26 +33851,26 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 CE_AB42_16 O1_AB42_42 1 2.442966e-04 1.573781e-07 ; 2.938808e-01 9.480484e-02 1.854548e-02 1.086654e-03 0.000485 0.000060 True native_MD 7 150 359 CE_AB42_16 O2_AB42_42 1 2.442966e-04 1.573781e-07 ; 2.938808e-01 9.480484e-02 1.854548e-02 1.086654e-03 0.000485 0.000060 True native_MD 7 150 360 NZ_AB42_16 NZ_AB42_16 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 151 151 - NZ_AB42_16 C_AB42_16 1 0.000000e+00 1.523077e-06 ; 2.917797e-01 -1.523077e-06 4.458395e-03 1.435647e-02 0.000485 0.000060 True native_MD 6 151 152 - NZ_AB42_16 O_AB42_16 1 0.000000e+00 4.845610e-07 ; 2.652207e-01 -4.845610e-07 5.781609e-04 1.021033e-02 0.000485 0.002166 True native_MD 7 151 153 - NZ_AB42_16 N_AB42_17 1 0.000000e+00 8.731409e-07 ; 2.785600e-01 -8.731409e-07 6.042124e-03 3.582258e-03 0.000485 0.000060 True native_MD 7 151 154 + NZ_AB42_16 C_AB42_16 1 0.000000e+00 1.523055e-06 ; 2.917794e-01 -1.523055e-06 4.458395e-03 1.435647e-02 0.000485 0.000060 True native_MD 6 151 152 + NZ_AB42_16 O_AB42_16 1 0.000000e+00 4.845605e-07 ; 2.652206e-01 -4.845605e-07 5.781609e-04 1.021033e-02 0.000485 0.002166 True native_MD 7 151 153 + NZ_AB42_16 N_AB42_17 1 0.000000e+00 8.731317e-07 ; 2.785597e-01 -8.731317e-07 6.042124e-03 3.582258e-03 0.000485 0.000060 True native_MD 7 151 154 NZ_AB42_16 CA_AB42_17 1 2.987691e-03 1.826742e-05 ; 4.276189e-01 1.221615e-01 1.697525e-02 9.834834e-03 0.000485 0.001339 True native_MD 7 151 156 - NZ_AB42_16 CB_AB42_17 1 0.000000e+00 3.684321e-06 ; 3.140688e-01 -3.684321e-06 1.508328e-03 3.749686e-03 0.000485 0.000060 True native_MD 7 151 157 - NZ_AB42_16 CG_AB42_17 1 0.000000e+00 7.690354e-06 ; 3.339314e-01 -7.690354e-06 3.700582e-03 1.892949e-02 0.000485 0.000060 True native_MD 7 151 158 - NZ_AB42_16 CD1_AB42_17 1 0.000000e+00 2.758849e-06 ; 3.065884e-01 -2.758849e-06 2.119397e-03 7.924571e-03 0.000485 0.000060 True native_MD 7 151 159 - NZ_AB42_16 CD2_AB42_17 1 0.000000e+00 2.776119e-06 ; 3.067478e-01 -2.776119e-06 2.359120e-03 1.446027e-02 0.000485 0.000060 True native_MD 7 151 160 + NZ_AB42_16 CB_AB42_17 1 0.000000e+00 3.684273e-06 ; 3.140685e-01 -3.684273e-06 1.508328e-03 3.749686e-03 0.000485 0.000060 True native_MD 7 151 157 + NZ_AB42_16 CG_AB42_17 1 0.000000e+00 7.690342e-06 ; 3.339313e-01 -7.690342e-06 3.700582e-03 1.892949e-02 0.000485 0.000060 True native_MD 7 151 158 + NZ_AB42_16 CD1_AB42_17 1 0.000000e+00 2.758823e-06 ; 3.065881e-01 -2.758823e-06 2.119397e-03 7.924571e-03 0.000485 0.000060 True native_MD 7 151 159 + NZ_AB42_16 CD2_AB42_17 1 0.000000e+00 2.776092e-06 ; 3.067476e-01 -2.776092e-06 2.359120e-03 1.446027e-02 0.000485 0.000060 True native_MD 7 151 160 NZ_AB42_16 C_AB42_17 1 1.190693e-03 2.121993e-06 ; 3.481962e-01 1.670305e-01 1.835463e-02 4.492487e-03 0.000485 0.002166 True native_MD 7 151 161 NZ_AB42_16 O_AB42_17 1 1.307291e-04 2.795954e-08 ; 2.445455e-01 1.528110e-01 2.290133e-02 8.578664e-03 0.000485 0.002166 True native_MD 7 151 162 - NZ_AB42_16 N_AB42_18 1 0.000000e+00 8.733549e-07 ; 2.785657e-01 -8.733549e-07 3.158252e-03 9.429209e-04 0.000485 0.000060 True native_MD 7 151 163 + NZ_AB42_16 N_AB42_18 1 0.000000e+00 8.733458e-07 ; 2.785654e-01 -8.733458e-07 3.158252e-03 9.429209e-04 0.000485 0.000060 True native_MD 7 151 163 NZ_AB42_16 CA_AB42_18 1 2.822813e-03 1.409786e-05 ; 4.134394e-01 1.413029e-01 2.833579e-02 9.257874e-03 0.000485 0.001339 True native_MD 7 151 165 - NZ_AB42_16 CB_AB42_18 1 0.000000e+00 7.490094e-06 ; 3.331979e-01 -7.490094e-06 2.569165e-02 1.448368e-02 0.000485 0.000060 True native_MD 7 151 166 - NZ_AB42_16 CG1_AB42_18 1 0.000000e+00 2.740383e-06 ; 3.064168e-01 -2.740383e-06 1.145138e-02 1.052404e-02 0.000485 0.000060 True native_MD 7 151 167 - NZ_AB42_16 CG2_AB42_18 1 0.000000e+00 2.748929e-06 ; 3.064963e-01 -2.748929e-06 1.555093e-02 1.773938e-02 0.000485 0.000060 True native_MD 7 151 168 + NZ_AB42_16 CB_AB42_18 1 0.000000e+00 7.490083e-06 ; 3.331979e-01 -7.490083e-06 2.569165e-02 1.448368e-02 0.000485 0.000060 True native_MD 7 151 166 + NZ_AB42_16 CG1_AB42_18 1 0.000000e+00 2.740357e-06 ; 3.064166e-01 -2.740357e-06 1.145138e-02 1.052404e-02 0.000485 0.000060 True native_MD 7 151 167 + NZ_AB42_16 CG2_AB42_18 1 0.000000e+00 2.748903e-06 ; 3.064961e-01 -2.748903e-06 1.555093e-02 1.773938e-02 0.000485 0.000060 True native_MD 7 151 168 NZ_AB42_16 C_AB42_18 1 1.278408e-03 2.235905e-06 ; 3.471075e-01 1.827365e-01 2.437761e-02 3.729125e-03 0.000485 0.002166 True native_MD 7 151 169 NZ_AB42_16 O_AB42_18 1 1.303121e-04 2.569089e-08 ; 2.412491e-01 1.652456e-01 3.056519e-02 7.891827e-03 0.000485 0.002166 True native_MD 7 151 170 - NZ_AB42_16 N_AB42_19 1 0.000000e+00 8.725658e-07 ; 2.785447e-01 -8.725658e-07 4.172879e-03 1.056000e-03 0.000485 0.000060 True native_MD 7 151 171 + NZ_AB42_16 N_AB42_19 1 0.000000e+00 8.725567e-07 ; 2.785444e-01 -8.725567e-07 4.172879e-03 1.056000e-03 0.000485 0.000060 True native_MD 7 151 171 NZ_AB42_16 CA_AB42_19 1 2.573525e-03 1.059101e-05 ; 4.003146e-01 1.563362e-01 3.595013e-02 7.490219e-03 0.000485 0.001339 True native_MD 7 151 173 - NZ_AB42_16 CB_AB42_19 1 0.000000e+00 3.602227e-06 ; 3.134796e-01 -3.602227e-06 2.738239e-02 7.291686e-03 0.000485 0.000060 True native_MD 7 151 174 + NZ_AB42_16 CB_AB42_19 1 0.000000e+00 3.602179e-06 ; 3.134792e-01 -3.602179e-06 2.738239e-02 7.291686e-03 0.000485 0.000060 True native_MD 7 151 174 NZ_AB42_16 CG_AB42_19 1 1.760408e-03 4.444780e-06 ; 3.690111e-01 1.743077e-01 1.684690e-02 5.067185e-03 0.000485 0.003309 True native_MD 7 151 175 NZ_AB42_16 CD1_AB42_19 1 1.285195e-03 2.339506e-06 ; 3.494292e-01 1.765038e-01 2.763406e-02 7.783035e-03 0.000485 0.003309 True native_MD 7 151 176 NZ_AB42_16 CD2_AB42_19 1 1.285195e-03 2.339506e-06 ; 3.494292e-01 1.765038e-01 2.763406e-02 7.783035e-03 0.000485 0.003309 True native_MD 7 151 177 @@ -33879,9 +33879,9 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 NZ_AB42_16 CZ_AB42_19 1 8.499053e-04 1.131141e-06 ; 3.316584e-01 1.596483e-01 2.421168e-02 1.129262e-02 0.000485 0.003309 True native_MD 7 151 180 NZ_AB42_16 C_AB42_19 1 1.069085e-03 1.888077e-06 ; 3.476706e-01 1.513369e-01 5.532975e-03 1.452994e-03 0.000485 0.002166 True native_MD 7 151 181 NZ_AB42_16 O_AB42_19 1 1.388724e-04 3.043443e-08 ; 2.455415e-01 1.584188e-01 6.839106e-03 1.340947e-03 0.000485 0.002166 True native_MD 7 151 182 - NZ_AB42_16 N_AB42_20 1 0.000000e+00 8.745447e-07 ; 2.785973e-01 -8.745447e-07 1.799950e-03 9.439473e-04 0.000485 0.000060 True native_MD 7 151 183 + NZ_AB42_16 N_AB42_20 1 0.000000e+00 8.745356e-07 ; 2.785970e-01 -8.745356e-07 1.799950e-03 9.439473e-04 0.000485 0.000060 True native_MD 7 151 183 NZ_AB42_16 CA_AB42_20 1 2.944011e-03 1.343751e-05 ; 4.072833e-01 1.612501e-01 1.960241e-02 3.525641e-03 0.000485 0.001339 True native_MD 7 151 185 - NZ_AB42_16 CB_AB42_20 1 0.000000e+00 3.568349e-06 ; 3.132328e-01 -3.568349e-06 3.411169e-02 4.805434e-03 0.000485 0.000060 True native_MD 7 151 186 + NZ_AB42_16 CB_AB42_20 1 0.000000e+00 3.568303e-06 ; 3.132325e-01 -3.568303e-06 3.411169e-02 4.805434e-03 0.000485 0.000060 True native_MD 7 151 186 NZ_AB42_16 CG_AB42_20 1 2.006461e-03 6.436432e-06 ; 3.840335e-01 1.563710e-01 6.946218e-03 3.573651e-03 0.000485 0.003309 True native_MD 7 151 187 NZ_AB42_16 CD1_AB42_20 1 1.206304e-03 2.247898e-06 ; 3.507949e-01 1.618366e-01 1.473430e-02 6.436631e-03 0.000485 0.003309 True native_MD 7 151 188 NZ_AB42_16 CD2_AB42_20 1 1.206304e-03 2.247898e-06 ; 3.507949e-01 1.618366e-01 1.473430e-02 6.436631e-03 0.000485 0.003309 True native_MD 7 151 189 @@ -33890,9 +33890,9 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 NZ_AB42_16 CZ_AB42_20 1 5.824903e-04 6.834526e-07 ; 3.247655e-01 1.241106e-01 9.964842e-03 1.346206e-02 0.000485 0.003309 True native_MD 7 151 192 NZ_AB42_16 C_AB42_20 1 1.347964e-03 2.446982e-06 ; 3.492679e-01 1.856377e-01 1.544381e-02 1.303835e-03 0.000485 0.002166 True native_MD 7 151 193 NZ_AB42_16 O_AB42_20 1 1.790352e-04 4.040974e-08 ; 2.467504e-01 1.983037e-01 2.256165e-02 1.861339e-03 0.000485 0.002166 True native_MD 7 151 194 - NZ_AB42_16 N_AB42_21 1 0.000000e+00 8.739240e-07 ; 2.785808e-01 -8.739240e-07 2.076896e-03 5.117535e-04 0.000485 0.000060 True native_MD 7 151 195 + NZ_AB42_16 N_AB42_21 1 0.000000e+00 8.739149e-07 ; 2.785805e-01 -8.739149e-07 2.076896e-03 5.117535e-04 0.000485 0.000060 True native_MD 7 151 195 NZ_AB42_16 CA_AB42_21 1 3.031266e-03 1.498573e-05 ; 4.127391e-01 1.532887e-01 2.590246e-02 5.912095e-03 0.000485 0.001339 True native_MD 7 151 197 - NZ_AB42_16 CB_AB42_21 1 0.000000e+00 2.744448e-06 ; 3.064547e-01 -2.744448e-06 6.642964e-03 7.197787e-03 0.000485 0.000060 True native_MD 7 151 198 + NZ_AB42_16 CB_AB42_21 1 0.000000e+00 2.744422e-06 ; 3.064544e-01 -2.744422e-06 6.642964e-03 7.197787e-03 0.000485 0.000060 True native_MD 7 151 198 NZ_AB42_16 C_AB42_21 1 1.254801e-03 2.234047e-06 ; 3.481392e-01 1.761967e-01 1.164268e-02 1.039621e-03 0.000485 0.002166 True native_MD 7 151 199 NZ_AB42_16 O_AB42_21 1 1.477385e-04 3.118593e-08 ; 2.440118e-01 1.749720e-01 1.122369e-02 1.160470e-03 0.000485 0.002166 True native_MD 7 151 200 NZ_AB42_16 N_AB42_22 1 1.100844e-03 3.113593e-06 ; 3.760590e-01 9.730373e-02 4.682214e-03 2.545817e-04 0.000485 0.000060 True native_MD 7 151 201 @@ -33914,24 +33914,24 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 NZ_AB42_16 O_AB42_23 1 1.083301e-04 3.377004e-08 ; 2.603937e-01 8.687737e-02 8.038958e-04 6.413096e-04 0.000485 0.002166 True native_MD 7 151 219 NZ_AB42_16 N_AB42_24 1 7.397008e-04 1.646941e-06 ; 3.613574e-01 8.305660e-02 2.369106e-03 1.972993e-04 0.000485 0.000060 True native_MD 7 151 220 NZ_AB42_16 CA_AB42_24 1 2.282844e-03 8.704344e-06 ; 3.952543e-01 1.496774e-01 5.379723e-03 1.368030e-03 0.000485 0.001339 True native_MD 7 151 222 - NZ_AB42_16 CB_AB42_24 1 0.000000e+00 7.549609e-06 ; 3.334177e-01 -7.549609e-06 6.246577e-03 2.895283e-03 0.000485 0.000060 True native_MD 7 151 223 - NZ_AB42_16 CG1_AB42_24 1 0.000000e+00 2.742801e-06 ; 3.064393e-01 -2.742801e-06 2.844994e-03 2.799485e-03 0.000485 0.000060 True native_MD 7 151 224 - NZ_AB42_16 CG2_AB42_24 1 0.000000e+00 2.742173e-06 ; 3.064335e-01 -2.742173e-06 2.781953e-03 2.507439e-03 0.000485 0.000060 True native_MD 7 151 225 + NZ_AB42_16 CB_AB42_24 1 0.000000e+00 7.549597e-06 ; 3.334177e-01 -7.549597e-06 6.246577e-03 2.895283e-03 0.000485 0.000060 True native_MD 7 151 223 + NZ_AB42_16 CG1_AB42_24 1 0.000000e+00 2.742775e-06 ; 3.064391e-01 -2.742775e-06 2.844994e-03 2.799485e-03 0.000485 0.000060 True native_MD 7 151 224 + NZ_AB42_16 CG2_AB42_24 1 0.000000e+00 2.742147e-06 ; 3.064333e-01 -2.742147e-06 2.781953e-03 2.507439e-03 0.000485 0.000060 True native_MD 7 151 225 NZ_AB42_16 C_AB42_24 1 8.822613e-04 1.414541e-06 ; 3.421131e-01 1.375684e-01 3.664500e-03 3.399821e-04 0.000485 0.002166 True native_MD 7 151 226 NZ_AB42_16 O_AB42_24 1 1.184326e-04 2.398772e-08 ; 2.423369e-01 1.461820e-01 4.742004e-03 4.793369e-04 0.000485 0.002166 True native_MD 7 151 227 NZ_AB42_16 N_AB42_25 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.494781e-04 1.252459e-04 0.000485 0.000060 True native_MD 7 151 228 NZ_AB42_16 CA_AB42_25 1 1.427276e-03 4.178795e-06 ; 3.782311e-01 1.218723e-01 2.290956e-03 8.204420e-04 0.000485 0.001584 True native_MD 7 151 230 NZ_AB42_16 C_AB42_25 1 7.881753e-04 1.455355e-06 ; 3.502604e-01 1.067128e-01 1.455441e-03 4.059349e-04 0.000485 0.002166 True native_MD 7 151 231 NZ_AB42_16 O_AB42_25 1 1.140106e-04 3.167707e-08 ; 2.554465e-01 1.025854e-01 1.286328e-03 5.431715e-04 0.000485 0.002166 True native_MD 7 151 232 - NZ_AB42_16 N_AB42_26 1 0.000000e+00 8.749831e-07 ; 2.786089e-01 -8.749831e-07 5.378024e-04 1.826518e-04 0.000485 0.000060 True native_MD 7 151 233 + NZ_AB42_16 N_AB42_26 1 0.000000e+00 8.749740e-07 ; 2.786086e-01 -8.749740e-07 5.378024e-04 1.826518e-04 0.000485 0.000060 True native_MD 7 151 233 NZ_AB42_16 CA_AB42_26 1 2.467923e-03 1.149889e-05 ; 4.086838e-01 1.324181e-01 3.141070e-03 1.240756e-03 0.000485 0.001339 True native_MD 7 151 235 - NZ_AB42_16 CB_AB42_26 1 0.000000e+00 3.673334e-06 ; 3.139906e-01 -3.673334e-06 2.464974e-03 1.717576e-03 0.000485 0.000060 True native_MD 7 151 236 + NZ_AB42_16 CB_AB42_26 1 0.000000e+00 3.673286e-06 ; 3.139903e-01 -3.673286e-06 2.464974e-03 1.717576e-03 0.000485 0.000060 True native_MD 7 151 236 NZ_AB42_16 OG_AB42_26 1 1.240853e-04 3.220247e-08 ; 2.525582e-01 1.195340e-01 2.136127e-03 1.063312e-03 0.000485 0.002166 True native_MD 7 151 237 NZ_AB42_16 C_AB42_26 1 6.102556e-04 1.020139e-06 ; 3.445016e-01 9.126498e-02 9.166932e-04 1.833224e-04 0.000485 0.002166 True native_MD 7 151 238 NZ_AB42_16 O_AB42_26 1 7.747301e-05 1.634616e-08 ; 2.439931e-01 9.179628e-02 9.313849e-04 1.875052e-04 0.000485 0.002166 True native_MD 7 151 239 NZ_AB42_16 N_AB42_27 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.913849e-04 8.995302e-05 0.000485 0.000060 True native_MD 7 151 240 NZ_AB42_16 CA_AB42_27 1 2.549064e-03 1.424920e-05 ; 4.212775e-01 1.140017e-01 1.810195e-03 8.863001e-04 0.000485 0.001339 True native_MD 7 151 242 - NZ_AB42_16 CB_AB42_27 1 0.000000e+00 3.672925e-06 ; 3.139877e-01 -3.672925e-06 1.888786e-03 1.030104e-03 0.000485 0.000060 True native_MD 7 151 243 + NZ_AB42_16 CB_AB42_27 1 0.000000e+00 3.672877e-06 ; 3.139874e-01 -3.672877e-06 1.888786e-03 1.030104e-03 0.000485 0.000060 True native_MD 7 151 243 NZ_AB42_16 CG_AB42_27 1 6.333858e-04 8.386229e-07 ; 3.313725e-01 1.195941e-01 2.139975e-03 1.228090e-03 0.000485 0.002166 True native_MD 7 151 244 NZ_AB42_16 OD1_AB42_27 1 9.630540e-05 1.972820e-08 ; 2.427948e-01 1.175314e-01 2.011869e-03 1.136012e-03 0.000485 0.002166 True native_MD 7 151 245 NZ_AB42_16 ND2_AB42_27 1 8.021423e-04 1.274395e-06 ; 3.415928e-01 1.262231e-01 2.609535e-03 2.024608e-03 0.000485 0.002166 True native_MD 7 151 246 @@ -33939,10 +33939,10 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 NZ_AB42_16 O_AB42_27 1 5.855621e-05 1.082670e-08 ; 2.386825e-01 7.917535e-02 6.384092e-04 4.008113e-04 0.000485 0.002166 True native_MD 7 151 248 NZ_AB42_16 N_AB42_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.647505e-04 1.155246e-05 0.000485 0.000060 True native_MD 7 151 249 NZ_AB42_16 CA_AB42_28 1 2.565498e-03 1.587284e-05 ; 4.284635e-01 1.036642e-01 1.328533e-03 6.980110e-04 0.000485 0.001339 True native_MD 7 151 251 - NZ_AB42_16 CB_AB42_28 1 0.000000e+00 3.676353e-06 ; 3.140121e-01 -3.676353e-06 6.652470e-04 7.390729e-04 0.000485 0.000060 True native_MD 7 151 252 - NZ_AB42_16 CG_AB42_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 151 253 - NZ_AB42_16 CD_AB42_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 151 254 - NZ_AB42_16 CE_AB42_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 151 255 + NZ_AB42_16 CB_AB42_28 1 0.000000e+00 3.676305e-06 ; 3.140118e-01 -3.676305e-06 6.652470e-04 7.390729e-04 0.000485 0.000060 True native_MD 7 151 252 + NZ_AB42_16 CG_AB42_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 151 253 + NZ_AB42_16 CD_AB42_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 151 254 + NZ_AB42_16 CE_AB42_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 151 255 NZ_AB42_16 NZ_AB42_28 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 151 256 NZ_AB42_16 C_AB42_28 1 6.852195e-04 1.337444e-06 ; 3.535148e-01 8.776549e-02 8.255479e-04 3.390321e-04 0.000485 0.002166 True native_MD 7 151 257 NZ_AB42_16 O_AB42_28 1 7.707134e-05 1.624930e-08 ; 2.439628e-01 9.138841e-02 9.200856e-04 4.563180e-04 0.000485 0.002166 True native_MD 7 151 258 @@ -33952,21 +33952,21 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 NZ_AB42_16 O_AB42_29 1 8.276864e-05 1.939106e-08 ; 2.482881e-01 8.832224e-02 8.394179e-04 6.316918e-04 0.000485 0.002166 True native_MD 7 151 263 NZ_AB42_16 N_AB42_30 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.650789e-04 1.387890e-04 0.000485 0.000060 True native_MD 7 151 264 NZ_AB42_16 CA_AB42_30 1 1.658645e-03 5.905304e-06 ; 3.907642e-01 1.164675e-01 1.948826e-03 1.080512e-03 0.000485 0.001339 True native_MD 7 151 266 - NZ_AB42_16 CB_AB42_30 1 0.000000e+00 2.741549e-06 ; 3.064277e-01 -2.741549e-06 1.573464e-03 1.071273e-03 0.000485 0.000060 True native_MD 7 151 267 + NZ_AB42_16 CB_AB42_30 1 0.000000e+00 2.741523e-06 ; 3.064274e-01 -2.741523e-06 1.573464e-03 1.071273e-03 0.000485 0.000060 True native_MD 7 151 267 NZ_AB42_16 O_AB42_30 1 7.733814e-05 2.013877e-08 ; 2.527007e-01 7.424968e-02 5.509115e-04 4.360853e-04 0.000485 0.002166 True native_MD 7 151 269 NZ_AB42_16 N_AB42_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 4.649698e-07 0.000000e+00 0.000485 0.000060 True native_MD 7 151 270 NZ_AB42_16 CA_AB42_31 1 2.416800e-03 1.779335e-05 ; 4.410652e-01 8.206606e-02 6.960954e-04 7.064908e-04 0.000485 0.001339 True native_MD 7 151 272 - NZ_AB42_16 CB_AB42_31 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 151 273 - NZ_AB42_16 CG1_AB42_31 1 0.000000e+00 3.676289e-06 ; 3.140117e-01 -3.676289e-06 6.230614e-04 6.793906e-04 0.000485 0.000060 True native_MD 7 151 274 - NZ_AB42_16 CG2_AB42_31 1 0.000000e+00 2.743777e-06 ; 3.064484e-01 -2.743777e-06 9.075991e-04 1.217732e-03 0.000485 0.000060 True native_MD 7 151 275 - NZ_AB42_16 CD_AB42_31 1 0.000000e+00 2.742525e-06 ; 3.064368e-01 -2.742525e-06 1.489052e-03 1.342717e-03 0.000485 0.000060 True native_MD 7 151 276 + NZ_AB42_16 CB_AB42_31 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 151 273 + NZ_AB42_16 CG1_AB42_31 1 0.000000e+00 3.676240e-06 ; 3.140113e-01 -3.676240e-06 6.230614e-04 6.793906e-04 0.000485 0.000060 True native_MD 7 151 274 + NZ_AB42_16 CG2_AB42_31 1 0.000000e+00 2.743751e-06 ; 3.064482e-01 -2.743751e-06 9.075991e-04 1.217732e-03 0.000485 0.000060 True native_MD 7 151 275 + NZ_AB42_16 CD_AB42_31 1 0.000000e+00 2.742499e-06 ; 3.064365e-01 -2.742499e-06 1.489052e-03 1.342717e-03 0.000485 0.000060 True native_MD 7 151 276 NZ_AB42_16 O_AB42_31 1 5.901308e-05 1.160373e-08 ; 2.411431e-01 7.503071e-02 5.639396e-04 1.897038e-04 0.000485 0.002166 True native_MD 7 151 278 NZ_AB42_16 N_AB42_32 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.454382e-04 9.566692e-05 0.000485 0.000060 True native_MD 7 151 279 NZ_AB42_16 CA_AB42_32 1 2.558863e-03 1.253231e-05 ; 4.120950e-01 1.306180e-01 2.976333e-03 6.589577e-04 0.000485 0.001339 True native_MD 7 151 281 - NZ_AB42_16 CB_AB42_32 1 0.000000e+00 7.560174e-06 ; 3.334566e-01 -7.560174e-06 2.928817e-03 9.722775e-04 0.000485 0.000060 True native_MD 7 151 282 - NZ_AB42_16 CG1_AB42_32 1 0.000000e+00 3.667033e-06 ; 3.139457e-01 -3.667033e-06 3.358902e-03 8.972928e-04 0.000485 0.000060 True native_MD 7 151 283 - NZ_AB42_16 CG2_AB42_32 1 0.000000e+00 2.736760e-06 ; 3.063830e-01 -2.736760e-06 3.229048e-03 9.811452e-04 0.000485 0.000060 True native_MD 7 151 284 - NZ_AB42_16 CD_AB42_32 1 0.000000e+00 2.720350e-06 ; 3.062295e-01 -2.720350e-06 9.776929e-03 1.546140e-03 0.000485 0.000060 True native_MD 7 151 285 + NZ_AB42_16 CB_AB42_32 1 0.000000e+00 7.560162e-06 ; 3.334566e-01 -7.560162e-06 2.928817e-03 9.722775e-04 0.000485 0.000060 True native_MD 7 151 282 + NZ_AB42_16 CG1_AB42_32 1 0.000000e+00 3.666984e-06 ; 3.139454e-01 -3.666984e-06 3.358902e-03 8.972928e-04 0.000485 0.000060 True native_MD 7 151 283 + NZ_AB42_16 CG2_AB42_32 1 0.000000e+00 2.736734e-06 ; 3.063828e-01 -2.736734e-06 3.229048e-03 9.811452e-04 0.000485 0.000060 True native_MD 7 151 284 + NZ_AB42_16 CD_AB42_32 1 0.000000e+00 2.720324e-06 ; 3.062293e-01 -2.720324e-06 9.776929e-03 1.546140e-03 0.000485 0.000060 True native_MD 7 151 285 NZ_AB42_16 C_AB42_32 1 8.683952e-04 1.483940e-06 ; 3.457667e-01 1.270452e-01 2.674534e-03 3.042971e-04 0.000485 0.002166 True native_MD 7 151 286 NZ_AB42_16 O_AB42_32 1 1.064737e-04 2.148051e-08 ; 2.421775e-01 1.319411e-01 3.096547e-03 4.638778e-04 0.000485 0.002166 True native_MD 7 151 287 NZ_AB42_16 N_AB42_33 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 4.088370e-04 1.987897e-04 0.000485 0.000060 True native_MD 7 151 288 @@ -33975,18 +33975,18 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 NZ_AB42_16 O_AB42_33 1 1.358651e-04 2.706642e-08 ; 2.416687e-01 1.705002e-01 9.817884e-03 4.408778e-04 0.000485 0.002166 True native_MD 7 151 292 NZ_AB42_16 N_AB42_34 1 1.219863e-03 4.069497e-06 ; 3.865494e-01 9.141576e-02 1.960661e-03 1.271459e-04 0.000485 0.000060 True native_MD 7 151 293 NZ_AB42_16 CA_AB42_34 1 2.305464e-03 7.283076e-06 ; 3.830535e-01 1.824491e-01 1.403829e-02 5.874896e-04 0.000485 0.001339 True native_MD 7 151 295 - NZ_AB42_16 CB_AB42_34 1 0.000000e+00 3.672278e-06 ; 3.139831e-01 -3.672278e-06 1.601120e-03 5.662914e-04 0.000485 0.000060 True native_MD 7 151 296 - NZ_AB42_16 CG_AB42_34 1 0.000000e+00 7.553421e-06 ; 3.334318e-01 -7.553421e-06 4.372981e-03 1.524920e-03 0.000485 0.000060 True native_MD 7 151 297 - NZ_AB42_16 CD1_AB42_34 1 0.000000e+00 2.733029e-06 ; 3.063482e-01 -2.733029e-06 4.949095e-03 1.340688e-03 0.000485 0.000060 True native_MD 7 151 298 - NZ_AB42_16 CD2_AB42_34 1 0.000000e+00 2.737059e-06 ; 3.063858e-01 -2.737059e-06 3.656729e-03 1.517890e-03 0.000485 0.000060 True native_MD 7 151 299 + NZ_AB42_16 CB_AB42_34 1 0.000000e+00 3.672229e-06 ; 3.139828e-01 -3.672229e-06 1.601120e-03 5.662914e-04 0.000485 0.000060 True native_MD 7 151 296 + NZ_AB42_16 CG_AB42_34 1 0.000000e+00 7.553409e-06 ; 3.334317e-01 -7.553409e-06 4.372981e-03 1.524920e-03 0.000485 0.000060 True native_MD 7 151 297 + NZ_AB42_16 CD1_AB42_34 1 0.000000e+00 2.733003e-06 ; 3.063480e-01 -2.733003e-06 4.949095e-03 1.340688e-03 0.000485 0.000060 True native_MD 7 151 298 + NZ_AB42_16 CD2_AB42_34 1 0.000000e+00 2.737034e-06 ; 3.063856e-01 -2.737034e-06 3.656729e-03 1.517890e-03 0.000485 0.000060 True native_MD 7 151 299 NZ_AB42_16 C_AB42_34 1 1.086409e-03 1.758631e-06 ; 3.426601e-01 1.677844e-01 9.051528e-03 1.499841e-04 0.000485 0.002166 True native_MD 7 151 300 NZ_AB42_16 O_AB42_34 1 1.536581e-04 3.498654e-08 ; 2.471104e-01 1.687134e-01 9.306697e-03 1.515255e-04 0.000485 0.002166 True native_MD 7 151 301 - NZ_AB42_16 N_AB42_35 1 0.000000e+00 8.747819e-07 ; 2.786036e-01 -8.747819e-07 6.850097e-04 9.996378e-05 0.000485 0.000060 True native_MD 7 151 302 + NZ_AB42_16 N_AB42_35 1 0.000000e+00 8.747727e-07 ; 2.786033e-01 -8.747727e-07 6.850097e-04 9.996378e-05 0.000485 0.000060 True native_MD 7 151 302 NZ_AB42_16 CA_AB42_35 1 3.881457e-03 1.892249e-05 ; 4.117787e-01 1.990450e-01 2.306773e-02 8.911999e-04 0.000485 0.001339 True native_MD 7 151 304 NZ_AB42_16 CB_AB42_35 1 1.366381e-03 6.012844e-06 ; 4.048101e-01 7.762535e-02 6.158467e-03 6.033953e-04 0.000485 0.000060 True native_MD 7 151 305 - NZ_AB42_16 CG_AB42_35 1 0.000000e+00 3.665383e-06 ; 3.139339e-01 -3.665383e-06 3.884012e-03 9.735563e-04 0.000485 0.000060 True native_MD 7 151 306 + NZ_AB42_16 CG_AB42_35 1 0.000000e+00 3.665334e-06 ; 3.139336e-01 -3.665334e-06 3.884012e-03 9.735563e-04 0.000485 0.000060 True native_MD 7 151 306 NZ_AB42_16 SD_AB42_35 1 8.247267e-04 1.200519e-06 ; 3.366484e-01 1.416417e-01 4.139551e-03 7.673171e-04 0.000485 0.002166 True native_MD 7 151 307 - NZ_AB42_16 CE_AB42_35 1 0.000000e+00 2.733064e-06 ; 3.063485e-01 -2.733064e-06 4.820723e-03 1.225379e-03 0.000485 0.000060 True native_MD 7 151 308 + NZ_AB42_16 CE_AB42_35 1 0.000000e+00 2.733039e-06 ; 3.063483e-01 -2.733039e-06 4.820723e-03 1.225379e-03 0.000485 0.000060 True native_MD 7 151 308 NZ_AB42_16 C_AB42_35 1 1.274828e-03 2.066213e-06 ; 3.427314e-01 1.966384e-01 2.146480e-02 2.341209e-04 0.000485 0.002166 True native_MD 7 151 309 NZ_AB42_16 O_AB42_35 1 1.788588e-04 3.901111e-08 ; 2.453464e-01 2.050088e-01 2.757490e-02 4.434218e-04 0.000485 0.002166 True native_MD 7 151 310 NZ_AB42_16 N_AB42_36 1 1.921748e-03 5.941595e-06 ; 3.816815e-01 1.553924e-01 6.246926e-03 3.920117e-05 0.000485 0.000060 True native_MD 7 151 311 @@ -34006,24 +34006,24 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 NZ_AB42_16 O_AB42_38 1 1.308311e-04 2.656741e-08 ; 2.424412e-01 1.610694e-01 7.403691e-03 3.291291e-04 0.000485 0.002166 True native_MD 7 151 328 NZ_AB42_16 N_AB42_39 1 1.094890e-03 3.450568e-06 ; 3.829011e-01 8.685418e-02 8.033380e-04 5.003540e-05 0.000485 0.000060 True native_MD 7 151 329 NZ_AB42_16 CA_AB42_39 1 2.971623e-03 1.408638e-05 ; 4.098588e-01 1.567212e-01 6.500350e-03 2.617048e-04 0.000485 0.001339 True native_MD 7 151 331 - NZ_AB42_16 CB_AB42_39 1 0.000000e+00 7.555491e-06 ; 3.334394e-01 -7.555491e-06 3.030802e-03 4.560185e-04 0.000485 0.000060 True native_MD 7 151 332 - NZ_AB42_16 CG1_AB42_39 1 0.000000e+00 2.739506e-06 ; 3.064087e-01 -2.739506e-06 1.985151e-03 7.383094e-04 0.000485 0.000060 True native_MD 7 151 333 - NZ_AB42_16 CG2_AB42_39 1 0.000000e+00 2.737284e-06 ; 3.063879e-01 -2.737284e-06 2.506978e-03 4.499113e-04 0.000485 0.000060 True native_MD 7 151 334 + NZ_AB42_16 CB_AB42_39 1 0.000000e+00 7.555479e-06 ; 3.334393e-01 -7.555479e-06 3.030802e-03 4.560185e-04 0.000485 0.000060 True native_MD 7 151 332 + NZ_AB42_16 CG1_AB42_39 1 0.000000e+00 2.739480e-06 ; 3.064084e-01 -2.739480e-06 1.985151e-03 7.383094e-04 0.000485 0.000060 True native_MD 7 151 333 + NZ_AB42_16 CG2_AB42_39 1 0.000000e+00 2.737258e-06 ; 3.063877e-01 -2.737258e-06 2.506978e-03 4.499113e-04 0.000485 0.000060 True native_MD 7 151 334 NZ_AB42_16 C_AB42_39 1 9.309414e-04 1.970944e-06 ; 3.583373e-01 1.099285e-01 1.602462e-03 3.401670e-05 0.000485 0.002166 True native_MD 7 151 335 NZ_AB42_16 O_AB42_39 1 8.804763e-05 1.960425e-08 ; 2.461910e-01 9.886103e-02 1.150661e-03 5.397135e-05 0.000485 0.002166 True native_MD 7 151 336 NZ_AB42_16 N_AB42_40 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.571490e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 151 337 NZ_AB42_16 CA_AB42_40 1 2.738648e-03 1.508271e-05 ; 4.202334e-01 1.243177e-01 2.464900e-03 3.817596e-04 0.000485 0.001339 True native_MD 7 151 339 - NZ_AB42_16 CB_AB42_40 1 0.000000e+00 7.540570e-06 ; 3.333845e-01 -7.540570e-06 5.303983e-03 7.595159e-04 0.000485 0.000060 True native_MD 7 151 340 - NZ_AB42_16 CG1_AB42_40 1 0.000000e+00 2.732953e-06 ; 3.063475e-01 -2.732953e-06 4.242324e-03 6.064600e-04 0.000485 0.000060 True native_MD 7 151 341 + NZ_AB42_16 CB_AB42_40 1 0.000000e+00 7.540559e-06 ; 3.333844e-01 -7.540559e-06 5.303983e-03 7.595159e-04 0.000485 0.000060 True native_MD 7 151 340 + NZ_AB42_16 CG1_AB42_40 1 0.000000e+00 2.732927e-06 ; 3.063473e-01 -2.732927e-06 4.242324e-03 6.064600e-04 0.000485 0.000060 True native_MD 7 151 341 NZ_AB42_16 CG2_AB42_40 1 5.131678e-04 9.273782e-07 ; 3.490060e-01 7.099079e-02 7.542239e-03 9.012737e-04 0.000485 0.000060 True native_MD 7 151 342 NZ_AB42_16 C_AB42_40 1 5.456813e-04 7.348826e-07 ; 3.323123e-01 1.012978e-01 1.237707e-03 2.724106e-05 0.000485 0.002166 True native_MD 7 151 343 NZ_AB42_16 O_AB42_40 1 8.272332e-05 1.577740e-08 ; 2.399208e-01 1.084327e-01 1.532314e-03 1.954384e-04 0.000485 0.002166 True native_MD 7 151 344 NZ_AB42_16 N_AB42_41 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 3.049508e-04 4.213631e-05 0.000485 0.000060 True native_MD 7 151 345 NZ_AB42_16 CA_AB42_41 1 3.351247e-03 1.931211e-05 ; 4.234192e-01 1.453862e-01 4.630403e-03 5.874618e-04 0.000485 0.001339 True native_MD 7 151 347 - NZ_AB42_16 CB_AB42_41 1 0.000000e+00 7.550408e-06 ; 3.334207e-01 -7.550408e-06 3.957390e-03 7.115460e-04 0.000485 0.000060 True native_MD 7 151 348 - NZ_AB42_16 CG1_AB42_41 1 0.000000e+00 3.669208e-06 ; 3.139612e-01 -3.669208e-06 2.420343e-03 5.504135e-04 0.000485 0.000060 True native_MD 7 151 349 - NZ_AB42_16 CG2_AB42_41 1 0.000000e+00 2.735508e-06 ; 3.063714e-01 -2.735508e-06 3.238788e-03 5.344779e-04 0.000485 0.000060 True native_MD 7 151 350 - NZ_AB42_16 CD_AB42_41 1 0.000000e+00 2.736884e-06 ; 3.063842e-01 -2.736884e-06 3.302476e-03 1.099651e-03 0.000485 0.000060 True native_MD 7 151 351 + NZ_AB42_16 CB_AB42_41 1 0.000000e+00 7.550396e-06 ; 3.334206e-01 -7.550396e-06 3.957390e-03 7.115460e-04 0.000485 0.000060 True native_MD 7 151 348 + NZ_AB42_16 CG1_AB42_41 1 0.000000e+00 3.669159e-06 ; 3.139609e-01 -3.669159e-06 2.420343e-03 5.504135e-04 0.000485 0.000060 True native_MD 7 151 349 + NZ_AB42_16 CG2_AB42_41 1 0.000000e+00 2.735483e-06 ; 3.063711e-01 -2.735483e-06 3.238788e-03 5.344779e-04 0.000485 0.000060 True native_MD 7 151 350 + NZ_AB42_16 CD_AB42_41 1 0.000000e+00 2.736858e-06 ; 3.063840e-01 -2.736858e-06 3.302476e-03 1.099651e-03 0.000485 0.000060 True native_MD 7 151 351 NZ_AB42_16 C_AB42_41 1 1.088210e-03 1.970342e-06 ; 3.491174e-01 1.502533e-01 5.356436e-03 2.459744e-04 0.000485 0.002166 True native_MD 7 151 352 NZ_AB42_16 O_AB42_41 1 1.344467e-04 3.000420e-08 ; 2.462854e-01 1.506116e-01 5.414170e-03 3.804731e-04 0.000485 0.002166 True native_MD 7 151 353 NZ_AB42_16 N_AB42_42 1 9.165077e-04 1.830063e-06 ; 3.548583e-01 1.147483e-01 3.261824e-03 1.052242e-04 0.000485 0.000060 True native_MD 7 151 354 @@ -34032,21 +34032,21 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 NZ_AB42_16 C_AB42_42 1 3.993370e-04 2.014108e-07 ; 2.821352e-01 1.979413e-01 2.231825e-02 7.359931e-04 0.000485 0.002166 True native_MD 7 151 358 NZ_AB42_16 O1_AB42_42 1 1.408672e-04 2.557488e-08 ; 2.379582e-01 1.939753e-01 1.982055e-02 4.872849e-04 0.000485 0.002166 True native_MD 7 151 359 NZ_AB42_16 O2_AB42_42 1 1.408672e-04 2.557488e-08 ; 2.379582e-01 1.939753e-01 1.982055e-02 4.872849e-04 0.000485 0.002166 True native_MD 7 151 360 - C_AB42_16 CB_AB42_17 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 157 - C_AB42_16 CG_AB42_17 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 152 158 - C_AB42_16 CD1_AB42_17 1 0.000000e+00 4.910012e-06 ; 3.216759e-01 -4.910012e-06 3.004209e-01 3.393315e-01 0.000485 0.000060 True native_MD 5 152 159 - C_AB42_16 CD2_AB42_17 1 0.000000e+00 5.232069e-06 ; 3.233834e-01 -5.232069e-06 6.021771e-01 7.092319e-01 0.000485 0.000060 True native_MD 5 152 160 - C_AB42_16 O_AB42_17 1 0.000000e+00 7.956216e-07 ; 2.764101e-01 -7.956216e-07 9.695060e-01 9.316301e-01 0.000485 0.000060 True native_MD 4 152 162 - C_AB42_16 N_AB42_18 1 0.000000e+00 1.505084e-06 ; 2.914909e-01 -1.505084e-06 9.888288e-01 9.867967e-01 0.000485 0.000060 True native_MD 4 152 163 - C_AB42_16 CA_AB42_18 1 0.000000e+00 1.320930e-05 ; 3.493293e-01 -1.320930e-05 8.861481e-01 8.982105e-01 0.000485 0.000060 True native_MD 5 152 165 - C_AB42_16 CB_AB42_18 1 0.000000e+00 1.523807e-05 ; 3.535134e-01 -1.523807e-05 2.257733e-01 3.932746e-01 0.000485 0.000060 True native_MD 6 152 166 - C_AB42_16 CG1_AB42_18 1 0.000000e+00 4.977915e-06 ; 3.220443e-01 -4.977915e-06 7.387437e-02 1.271527e-01 0.000485 0.000060 True native_MD 7 152 167 - C_AB42_16 CG2_AB42_18 1 0.000000e+00 4.822134e-06 ; 3.211922e-01 -4.822134e-06 1.801016e-01 2.004181e-01 0.000485 0.000060 True native_MD 7 152 168 - C_AB42_16 C_AB42_18 1 0.000000e+00 2.784510e-06 ; 3.068250e-01 -2.784510e-06 1.030591e-01 1.746138e-01 0.000485 0.000060 True native_MD 6 152 169 + C_AB42_16 CB_AB42_17 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 157 + C_AB42_16 CG_AB42_17 1 0.000000e+00 1.305180e-05 ; 3.489803e-01 -1.305180e-05 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 152 158 + C_AB42_16 CD1_AB42_17 1 0.000000e+00 4.909948e-06 ; 3.216756e-01 -4.909948e-06 3.004209e-01 3.393315e-01 0.000485 0.000060 True native_MD 5 152 159 + C_AB42_16 CD2_AB42_17 1 0.000000e+00 5.232001e-06 ; 3.233831e-01 -5.232001e-06 6.021771e-01 7.092319e-01 0.000485 0.000060 True native_MD 5 152 160 + C_AB42_16 O_AB42_17 1 0.000000e+00 7.956180e-07 ; 2.764100e-01 -7.956180e-07 9.695060e-01 9.316301e-01 0.000485 0.000060 True native_MD 4 152 162 + C_AB42_16 N_AB42_18 1 0.000000e+00 1.505063e-06 ; 2.914906e-01 -1.505063e-06 9.888288e-01 9.867967e-01 0.000485 0.000060 True native_MD 4 152 163 + C_AB42_16 CA_AB42_18 1 0.000000e+00 1.320923e-05 ; 3.493291e-01 -1.320923e-05 8.861481e-01 8.982105e-01 0.000485 0.000060 True native_MD 5 152 165 + C_AB42_16 CB_AB42_18 1 0.000000e+00 1.523799e-05 ; 3.535132e-01 -1.523799e-05 2.257733e-01 3.932746e-01 0.000485 0.000060 True native_MD 6 152 166 + C_AB42_16 CG1_AB42_18 1 0.000000e+00 4.977850e-06 ; 3.220440e-01 -4.977850e-06 7.387437e-02 1.271527e-01 0.000485 0.000060 True native_MD 7 152 167 + C_AB42_16 CG2_AB42_18 1 0.000000e+00 4.822071e-06 ; 3.211918e-01 -4.822071e-06 1.801016e-01 2.004181e-01 0.000485 0.000060 True native_MD 7 152 168 + C_AB42_16 C_AB42_18 1 0.000000e+00 2.784461e-06 ; 3.068245e-01 -2.784461e-06 1.030591e-01 1.746138e-01 0.000485 0.000060 True native_MD 6 152 169 C_AB42_16 O_AB42_18 1 5.736317e-04 1.094585e-06 ; 3.521838e-01 7.515477e-02 2.966399e-02 1.135154e-01 0.000485 0.002166 True native_MD 7 152 170 C_AB42_16 N_AB42_19 1 1.433163e-03 3.836628e-06 ; 3.726282e-01 1.338385e-01 1.639976e-01 1.083837e-01 0.000485 0.002166 True native_MD 7 152 171 C_AB42_16 CA_AB42_19 1 4.779900e-03 4.245609e-05 ; 4.550791e-01 1.345357e-01 2.892525e-01 1.157175e-01 0.000485 0.001339 True native_MD 7 152 173 - C_AB42_16 CB_AB42_19 1 0.000000e+00 5.514807e-06 ; 3.248049e-01 -5.514807e-06 2.076401e-01 7.831276e-02 0.000485 0.000060 True native_MD 7 152 174 + C_AB42_16 CB_AB42_19 1 0.000000e+00 5.514714e-06 ; 3.248044e-01 -5.514714e-06 2.076401e-01 7.831276e-02 0.000485 0.000060 True native_MD 7 152 174 C_AB42_16 CG_AB42_19 1 2.435800e-03 1.050373e-05 ; 4.034444e-01 1.412146e-01 2.495062e-02 2.020323e-02 0.000485 0.003309 True native_MD 7 152 175 C_AB42_16 CD1_AB42_19 1 1.277472e-03 2.912660e-06 ; 3.627909e-01 1.400727e-01 4.065169e-02 3.406117e-02 0.000485 0.003309 True native_MD 7 152 176 C_AB42_16 CD2_AB42_19 1 1.277472e-03 2.912660e-06 ; 3.627909e-01 1.400727e-01 4.065169e-02 3.406117e-02 0.000485 0.003309 True native_MD 7 152 177 @@ -34057,7 +34057,7 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 C_AB42_16 O_AB42_19 1 9.501667e-04 1.197040e-06 ; 3.286383e-01 1.885519e-01 1.585938e-01 2.038576e-02 0.000485 0.002166 True native_MD 7 152 182 C_AB42_16 N_AB42_20 1 1.108807e-03 2.591859e-06 ; 3.643001e-01 1.185879e-01 1.996363e-02 2.082445e-02 0.000485 0.002166 True native_MD 7 152 183 C_AB42_16 CA_AB42_20 1 2.155521e-03 9.397666e-06 ; 4.041829e-01 1.236017e-01 5.211425e-02 2.891906e-02 0.000485 0.001339 True native_MD 7 152 185 - C_AB42_16 CB_AB42_20 1 0.000000e+00 6.249140e-06 ; 3.282061e-01 -6.249140e-06 4.057717e-02 2.718576e-02 0.000485 0.000060 True native_MD 7 152 186 + C_AB42_16 CB_AB42_20 1 0.000000e+00 6.249035e-06 ; 3.282057e-01 -6.249035e-06 4.057717e-02 2.718576e-02 0.000485 0.000060 True native_MD 7 152 186 C_AB42_16 CG_AB42_20 1 2.117091e-03 8.343973e-06 ; 3.974406e-01 1.342907e-01 1.247665e-02 1.242867e-02 0.000485 0.003309 True native_MD 7 152 187 C_AB42_16 CD1_AB42_20 1 1.350812e-03 3.223492e-06 ; 3.655571e-01 1.415153e-01 2.094807e-02 1.681028e-02 0.000485 0.003309 True native_MD 7 152 188 C_AB42_16 CD2_AB42_20 1 1.350812e-03 3.223492e-06 ; 3.655571e-01 1.415153e-01 2.094807e-02 1.681028e-02 0.000485 0.003309 True native_MD 7 152 189 @@ -34073,20 +34073,20 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 C_AB42_16 O_AB42_21 1 8.707164e-04 1.927204e-06 ; 3.610011e-01 9.834807e-02 1.133132e-03 8.887982e-05 0.000485 0.002166 True native_MD 7 152 200 C_AB42_16 N_AB42_22 1 9.400715e-04 2.930949e-06 ; 3.822151e-01 7.537954e-02 5.698575e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 152 201 C_AB42_16 CA_AB42_22 1 1.970592e-03 1.054582e-05 ; 4.182288e-01 9.205616e-02 9.386564e-04 3.947911e-04 0.000485 0.001339 True native_MD 7 152 203 - C_AB42_16 CB_AB42_22 1 0.000000e+00 6.330756e-06 ; 3.285612e-01 -6.330756e-06 9.651999e-04 4.591663e-04 0.000485 0.000060 True native_MD 7 152 204 - C_AB42_16 CG_AB42_22 1 0.000000e+00 6.332949e-06 ; 3.285707e-01 -6.332949e-06 1.259733e-03 1.099961e-03 0.000485 0.000060 True native_MD 7 152 205 + C_AB42_16 CB_AB42_22 1 0.000000e+00 6.330650e-06 ; 3.285608e-01 -6.330650e-06 9.651999e-04 4.591663e-04 0.000485 0.000060 True native_MD 7 152 204 + C_AB42_16 CG_AB42_22 1 0.000000e+00 6.332843e-06 ; 3.285702e-01 -6.332843e-06 1.259733e-03 1.099961e-03 0.000485 0.000060 True native_MD 7 152 205 C_AB42_16 CD_AB42_22 1 1.663190e-03 9.078524e-06 ; 4.196097e-01 7.617433e-02 5.835739e-04 7.128103e-04 0.000485 0.002166 True native_MD 7 152 206 C_AB42_16 CA_AB42_23 1 4.060554e-03 4.058743e-05 ; 4.641244e-01 1.015591e-01 1.247423e-03 3.438022e-05 0.000485 0.001339 True native_MD 7 152 213 - C_AB42_16 CB_AB42_23 1 0.000000e+00 6.327780e-06 ; 3.285483e-01 -6.327780e-06 1.322934e-03 3.470839e-04 0.000485 0.000060 True native_MD 7 152 214 + C_AB42_16 CB_AB42_23 1 0.000000e+00 6.327674e-06 ; 3.285479e-01 -6.327674e-06 1.322934e-03 3.470839e-04 0.000485 0.000060 True native_MD 7 152 214 C_AB42_16 CG_AB42_23 1 9.948872e-04 2.911072e-06 ; 3.781927e-01 8.500309e-02 7.600467e-04 1.871370e-04 0.000485 0.002166 True native_MD 7 152 215 C_AB42_16 OD1_AB42_23 1 5.043840e-04 8.894352e-07 ; 3.475832e-01 7.150697e-02 5.074996e-04 2.306793e-04 0.000485 0.002166 True native_MD 7 152 216 C_AB42_16 OD2_AB42_23 1 5.043840e-04 8.894352e-07 ; 3.475832e-01 7.150697e-02 5.074996e-04 2.306793e-04 0.000485 0.002166 True native_MD 7 152 217 C_AB42_16 C_AB42_23 1 1.572191e-03 6.499836e-06 ; 4.006202e-01 9.507098e-02 1.027281e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 152 218 C_AB42_16 O_AB42_23 1 2.811452e-04 2.072051e-07 ; 3.005465e-01 9.536762e-02 1.036441e-03 4.996296e-05 0.000485 0.002166 True native_MD 7 152 219 C_AB42_16 CA_AB42_24 1 1.845102e-03 8.578305e-06 ; 4.085359e-01 9.921545e-02 1.162930e-03 6.128482e-05 0.000485 0.001339 True native_MD 7 152 222 - C_AB42_16 CB_AB42_24 1 0.000000e+00 1.304321e-05 ; 3.489611e-01 -1.304321e-05 1.219529e-03 5.565189e-04 0.000485 0.000060 True native_MD 7 152 223 - C_AB42_16 CG1_AB42_24 1 0.000000e+00 4.725278e-06 ; 3.206495e-01 -4.725278e-06 1.204413e-03 1.027202e-03 0.000485 0.000060 True native_MD 7 152 224 - C_AB42_16 CG2_AB42_24 1 0.000000e+00 4.721412e-06 ; 3.206277e-01 -4.721412e-06 1.552057e-03 5.568933e-04 0.000485 0.000060 True native_MD 7 152 225 + C_AB42_16 CB_AB42_24 1 0.000000e+00 1.304314e-05 ; 3.489610e-01 -1.304314e-05 1.219529e-03 5.565189e-04 0.000485 0.000060 True native_MD 7 152 223 + C_AB42_16 CG1_AB42_24 1 0.000000e+00 4.725216e-06 ; 3.206492e-01 -4.725216e-06 1.204413e-03 1.027202e-03 0.000485 0.000060 True native_MD 7 152 224 + C_AB42_16 CG2_AB42_24 1 0.000000e+00 4.721351e-06 ; 3.206273e-01 -4.721351e-06 1.552057e-03 5.568933e-04 0.000485 0.000060 True native_MD 7 152 225 C_AB42_16 CA_AB42_25 1 1.205892e-03 3.464827e-06 ; 3.770470e-01 1.049240e-01 1.379578e-03 2.894029e-04 0.000485 0.001584 True native_MD 7 152 230 C_AB42_16 C_AB42_25 1 1.490496e-03 7.279152e-06 ; 4.118999e-01 7.629931e-02 5.857606e-04 4.822790e-05 0.000485 0.002166 True native_MD 7 152 231 C_AB42_16 O_AB42_25 1 5.389500e-04 1.011402e-06 ; 3.512065e-01 7.179811e-02 5.119406e-04 1.210088e-04 0.000485 0.002166 True native_MD 7 152 232 @@ -34107,8 +34107,8 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 C_AB42_16 CA_AB42_28 1 2.053859e-03 7.761913e-06 ; 3.946690e-01 1.358665e-01 3.482529e-03 5.253499e-05 0.000485 0.001339 True native_MD 7 152 251 C_AB42_16 CB_AB42_28 1 1.574410e-03 4.827829e-06 ; 3.811585e-01 1.283583e-01 2.781720e-03 2.541723e-05 0.000485 0.000060 True native_MD 7 152 252 C_AB42_16 CG_AB42_28 1 1.764205e-03 9.755847e-06 ; 4.205193e-01 7.975783e-02 1.323151e-03 1.216252e-04 0.000485 0.000060 True native_MD 7 152 253 - C_AB42_16 CD_AB42_28 1 0.000000e+00 6.328283e-06 ; 3.285505e-01 -6.328283e-06 1.091505e-03 1.949855e-04 0.000485 0.000060 True native_MD 7 152 254 - C_AB42_16 CE_AB42_28 1 0.000000e+00 6.334686e-06 ; 3.285782e-01 -6.334686e-06 6.882562e-04 8.026634e-04 0.000485 0.000060 True native_MD 7 152 255 + C_AB42_16 CD_AB42_28 1 0.000000e+00 6.328176e-06 ; 3.285501e-01 -6.328176e-06 1.091505e-03 1.949855e-04 0.000485 0.000060 True native_MD 7 152 254 + C_AB42_16 CE_AB42_28 1 0.000000e+00 6.334579e-06 ; 3.285777e-01 -6.334579e-06 6.882562e-04 8.026634e-04 0.000485 0.000060 True native_MD 7 152 255 C_AB42_16 C_AB42_28 1 2.615704e-03 1.411400e-05 ; 4.188035e-01 1.211901e-01 2.244658e-03 4.715928e-05 0.000485 0.002166 True native_MD 7 152 257 C_AB42_16 O_AB42_28 1 4.203907e-04 5.846101e-07 ; 3.340941e-01 7.557530e-02 5.732057e-04 9.748984e-05 0.000485 0.002166 True native_MD 7 152 258 C_AB42_16 N_AB42_29 1 8.993631e-04 1.705976e-06 ; 3.518355e-01 1.185324e-01 2.073049e-03 7.934615e-05 0.000485 0.002166 True native_MD 7 152 259 @@ -34123,8 +34123,8 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 C_AB42_16 CA_AB42_31 1 3.496062e-03 2.958524e-05 ; 4.514219e-01 1.032816e-01 1.313411e-03 7.347106e-05 0.000485 0.001339 True native_MD 7 152 272 C_AB42_16 CB_AB42_31 1 1.893139e-03 1.134065e-05 ; 4.261632e-01 7.900726e-02 2.558789e-03 2.405490e-04 0.000485 0.000060 True native_MD 7 152 273 C_AB42_16 CG1_AB42_31 1 1.011949e-03 3.135990e-06 ; 3.818294e-01 8.163614e-02 2.282002e-03 1.982980e-04 0.000485 0.000060 True native_MD 7 152 274 - C_AB42_16 CG2_AB42_31 1 0.000000e+00 4.714084e-06 ; 3.205862e-01 -4.714084e-06 3.069764e-03 5.239158e-04 0.000485 0.000060 True native_MD 7 152 275 - C_AB42_16 CD_AB42_31 1 0.000000e+00 4.709085e-06 ; 3.205578e-01 -4.709085e-06 4.113428e-03 5.099275e-04 0.000485 0.000060 True native_MD 7 152 276 + C_AB42_16 CG2_AB42_31 1 0.000000e+00 4.714022e-06 ; 3.205858e-01 -4.714022e-06 3.069764e-03 5.239158e-04 0.000485 0.000060 True native_MD 7 152 275 + C_AB42_16 CD_AB42_31 1 0.000000e+00 4.709024e-06 ; 3.205575e-01 -4.709024e-06 4.113428e-03 5.099275e-04 0.000485 0.000060 True native_MD 7 152 276 C_AB42_16 CA_AB42_32 1 2.352581e-03 1.588142e-05 ; 4.347345e-01 8.712440e-02 8.098606e-04 1.193261e-04 0.000485 0.001339 True native_MD 7 152 281 C_AB42_16 CB_AB42_32 1 1.514961e-03 7.411413e-06 ; 4.120184e-01 7.741799e-02 2.262400e-03 2.230456e-04 0.000485 0.000060 True native_MD 7 152 282 C_AB42_16 CG1_AB42_32 1 1.078597e-03 4.023670e-06 ; 3.938164e-01 7.228303e-02 2.501473e-03 2.875792e-04 0.000485 0.000060 True native_MD 7 152 283 @@ -34137,8 +34137,8 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 C_AB42_16 CA_AB42_34 1 3.817329e-03 2.134607e-05 ; 4.213015e-01 1.706637e-01 9.866041e-03 9.995150e-05 0.000485 0.001339 True native_MD 7 152 295 C_AB42_16 CB_AB42_34 1 1.850430e-03 7.723421e-06 ; 4.012572e-01 1.108346e-01 2.800939e-03 1.015835e-04 0.000485 0.000060 True native_MD 7 152 296 C_AB42_16 CG_AB42_34 1 2.325312e-03 1.802721e-05 ; 4.448783e-01 7.498492e-02 5.179651e-03 5.492203e-04 0.000485 0.000060 True native_MD 7 152 297 - C_AB42_16 CD1_AB42_34 1 0.000000e+00 4.708519e-06 ; 3.205546e-01 -4.708519e-06 4.481773e-03 7.585831e-04 0.000485 0.000060 True native_MD 7 152 298 - C_AB42_16 CD2_AB42_34 1 0.000000e+00 4.707589e-06 ; 3.205493e-01 -4.707589e-06 4.587710e-03 6.675825e-04 0.000485 0.000060 True native_MD 7 152 299 + C_AB42_16 CD1_AB42_34 1 0.000000e+00 4.708458e-06 ; 3.205543e-01 -4.708458e-06 4.481773e-03 7.585831e-04 0.000485 0.000060 True native_MD 7 152 298 + C_AB42_16 CD2_AB42_34 1 0.000000e+00 4.707527e-06 ; 3.205490e-01 -4.707527e-06 4.587710e-03 6.675825e-04 0.000485 0.000060 True native_MD 7 152 299 C_AB42_16 C_AB42_34 1 3.455656e-03 1.973846e-05 ; 4.227956e-01 1.512474e-01 5.518171e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 152 300 C_AB42_16 O_AB42_34 1 1.031058e-03 1.497057e-06 ; 3.365058e-01 1.775283e-01 1.211602e-02 0.000000e+00 0.000485 0.002166 True native_MD 7 152 301 C_AB42_16 N_AB42_35 1 1.190121e-03 2.304731e-06 ; 3.530516e-01 1.536393e-01 5.927644e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 152 302 @@ -34174,7 +34174,7 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 C_AB42_16 N_AB42_40 1 1.177850e-03 2.576575e-06 ; 3.602955e-01 1.346099e-01 3.354003e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 152 337 C_AB42_16 CA_AB42_40 1 4.032295e-03 2.171696e-05 ; 4.186725e-01 1.871740e-01 1.617045e-02 5.478270e-05 0.000485 0.001339 True native_MD 7 152 339 C_AB42_16 CB_AB42_40 1 2.969546e-03 1.531005e-05 ; 4.156372e-01 1.439937e-01 2.232909e-02 3.002152e-04 0.000485 0.000060 True native_MD 7 152 340 - C_AB42_16 CG1_AB42_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 341 + C_AB42_16 CG1_AB42_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 341 C_AB42_16 CG2_AB42_40 1 1.322007e-03 3.374648e-06 ; 3.696856e-01 1.294729e-01 1.478722e-02 3.070228e-04 0.000485 0.000060 True native_MD 7 152 342 C_AB42_16 C_AB42_40 1 3.669190e-03 2.046932e-05 ; 4.211358e-01 1.644285e-01 8.186636e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 152 343 C_AB42_16 O_AB42_40 1 6.338906e-04 6.497547e-07 ; 3.175332e-01 1.546035e-01 6.101172e-03 2.141060e-05 0.000485 0.002166 True native_MD 7 152 344 @@ -34191,15 +34191,15 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 C_AB42_16 CB_AB42_42 1 9.054465e-04 2.098367e-06 ; 3.637780e-01 9.767517e-02 5.910102e-03 3.177923e-04 0.000485 0.000060 True native_MD 7 152 357 O_AB42_16 O_AB42_16 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 153 O_AB42_16 H_AB42_17 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 155 - O_AB42_16 CB_AB42_17 1 0.000000e+00 2.015620e-06 ; 2.986728e-01 -2.015620e-06 9.999959e-01 9.999779e-01 0.000485 0.000060 True native_MD 4 153 157 - O_AB42_16 CG_AB42_17 1 0.000000e+00 4.540039e-06 ; 3.195827e-01 -4.540039e-06 7.783736e-01 8.714385e-01 0.000485 0.000060 True native_MD 5 153 158 + O_AB42_16 CB_AB42_17 1 0.000000e+00 2.015613e-06 ; 2.986727e-01 -2.015613e-06 9.999959e-01 9.999779e-01 0.000485 0.000060 True native_MD 4 153 157 + O_AB42_16 CG_AB42_17 1 0.000000e+00 4.540075e-06 ; 3.195829e-01 -4.540075e-06 7.783736e-01 8.714385e-01 0.000485 0.000060 True native_MD 5 153 158 O_AB42_16 CD1_AB42_17 1 0.000000e+00 1.557792e-06 ; 2.923282e-01 -1.557792e-06 8.613041e-02 1.219018e-01 0.000485 0.000060 True native_MD 6 153 159 O_AB42_16 CD2_AB42_17 1 0.000000e+00 1.525266e-06 ; 2.918147e-01 -1.525266e-06 3.437829e-01 3.579283e-01 0.000485 0.000060 True native_MD 6 153 160 - O_AB42_16 C_AB42_17 1 0.000000e+00 8.253397e-07 ; 2.772561e-01 -8.253397e-07 9.999761e-01 9.980374e-01 0.000485 0.000060 True native_MD 4 153 161 + O_AB42_16 C_AB42_17 1 0.000000e+00 8.253358e-07 ; 2.772560e-01 -8.253358e-07 9.999761e-01 9.980374e-01 0.000485 0.000060 True native_MD 4 153 161 O_AB42_16 O_AB42_17 1 0.000000e+00 1.494358e-06 ; 2.913173e-01 -1.494358e-06 9.128930e-01 9.091318e-01 0.000485 0.000060 True native_MD 5 153 162 O_AB42_16 N_AB42_18 1 0.000000e+00 1.510929e-06 ; 2.915851e-01 -1.510929e-06 9.395628e-01 9.468490e-01 0.000485 0.000060 True native_MD 5 153 163 - O_AB42_16 H_AB42_18 1 0.000000e+00 1.470949e-08 ; 1.982112e-01 -1.470949e-08 2.108704e-01 1.588787e-01 0.000485 0.000060 True native_MD 6 153 164 - O_AB42_16 CA_AB42_18 1 0.000000e+00 4.088039e-06 ; 3.168020e-01 -4.088039e-06 6.512775e-01 6.355183e-01 0.000485 0.000060 True native_MD 6 153 165 + O_AB42_16 H_AB42_18 1 0.000000e+00 1.470972e-08 ; 1.982114e-01 -1.470972e-08 2.108704e-01 1.588787e-01 0.000485 0.000060 True native_MD 6 153 164 + O_AB42_16 CA_AB42_18 1 0.000000e+00 4.088071e-06 ; 3.168022e-01 -4.088071e-06 6.512775e-01 6.355183e-01 0.000485 0.000060 True native_MD 6 153 165 O_AB42_16 CB_AB42_18 1 1.369262e-03 4.989818e-06 ; 3.922832e-01 9.393518e-02 2.016314e-01 2.417583e-01 0.000485 0.001191 True native_MD 7 153 166 O_AB42_16 CG1_AB42_18 1 3.963139e-04 5.142317e-07 ; 3.302579e-01 7.635891e-02 6.732643e-02 1.365969e-01 0.000485 0.001191 True native_MD 7 153 167 O_AB42_16 CG2_AB42_18 1 4.975777e-04 5.990132e-07 ; 3.261589e-01 1.033298e-01 1.828201e-01 1.654810e-01 0.000485 0.001191 True native_MD 7 153 168 @@ -34384,17 +34384,17 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 O_AB42_16 CB_AB42_42 1 4.942583e-04 4.139032e-07 ; 3.070135e-01 1.475534e-01 4.940665e-03 4.442906e-04 0.000485 0.001191 True native_MD 7 153 357 O_AB42_16 O1_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 359 O_AB42_16 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 360 - N_AB42_17 CB_AB42_17 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 157 - N_AB42_17 CG_AB42_17 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 158 - N_AB42_17 CD1_AB42_17 1 0.000000e+00 2.741278e-06 ; 3.064252e-01 -2.741278e-06 9.982584e-01 9.976575e-01 0.000485 0.000060 True native_MD 4 154 159 - N_AB42_17 CD2_AB42_17 1 0.000000e+00 2.876286e-06 ; 3.076553e-01 -2.876286e-06 8.690034e-01 9.176231e-01 0.000485 0.000060 True native_MD 4 154 160 - N_AB42_17 CA_AB42_18 1 0.000000e+00 7.574782e-06 ; 3.335102e-01 -7.574782e-06 9.999989e-01 9.999708e-01 0.000485 0.000060 True native_MD 4 154 165 - N_AB42_17 CB_AB42_18 1 0.000000e+00 8.839678e-06 ; 3.378299e-01 -8.839678e-06 3.083966e-01 4.753516e-01 0.000485 0.000060 True native_MD 5 154 166 - N_AB42_17 CG1_AB42_18 1 0.000000e+00 2.841303e-06 ; 3.073417e-01 -2.841303e-06 5.331140e-02 8.917690e-02 0.000485 0.000060 True native_MD 6 154 167 - N_AB42_17 CG2_AB42_18 1 0.000000e+00 2.967139e-06 ; 3.084536e-01 -2.967139e-06 1.270806e-01 2.088229e-01 0.000485 0.000060 True native_MD 6 154 168 - N_AB42_17 C_AB42_18 1 0.000000e+00 1.530852e-06 ; 2.919036e-01 -1.530852e-06 7.621465e-02 9.126823e-02 0.000485 0.000060 True native_MD 5 154 169 + N_AB42_17 CB_AB42_17 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 157 + N_AB42_17 CG_AB42_17 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 158 + N_AB42_17 CD1_AB42_17 1 0.000000e+00 2.741252e-06 ; 3.064249e-01 -2.741252e-06 9.982584e-01 9.976575e-01 0.000485 0.000060 True native_MD 4 154 159 + N_AB42_17 CD2_AB42_17 1 0.000000e+00 2.876259e-06 ; 3.076550e-01 -2.876259e-06 8.690034e-01 9.176231e-01 0.000485 0.000060 True native_MD 4 154 160 + N_AB42_17 CA_AB42_18 1 0.000000e+00 7.574770e-06 ; 3.335102e-01 -7.574770e-06 9.999989e-01 9.999708e-01 0.000485 0.000060 True native_MD 4 154 165 + N_AB42_17 CB_AB42_18 1 0.000000e+00 8.839664e-06 ; 3.378298e-01 -8.839664e-06 3.083966e-01 4.753516e-01 0.000485 0.000060 True native_MD 5 154 166 + N_AB42_17 CG1_AB42_18 1 0.000000e+00 2.841276e-06 ; 3.073414e-01 -2.841276e-06 5.331140e-02 8.917690e-02 0.000485 0.000060 True native_MD 6 154 167 + N_AB42_17 CG2_AB42_18 1 0.000000e+00 2.967111e-06 ; 3.084533e-01 -2.967111e-06 1.270806e-01 2.088229e-01 0.000485 0.000060 True native_MD 6 154 168 + N_AB42_17 C_AB42_18 1 0.000000e+00 1.530830e-06 ; 2.919032e-01 -1.530830e-06 7.621465e-02 9.126823e-02 0.000485 0.000060 True native_MD 5 154 169 N_AB42_17 O_AB42_18 1 0.000000e+00 1.594229e-06 ; 2.928920e-01 -1.594229e-06 7.873426e-02 1.415536e-01 0.000485 0.000060 True native_MD 6 154 170 - N_AB42_17 N_AB42_19 1 0.000000e+00 8.599873e-07 ; 2.782078e-01 -8.599873e-07 7.044858e-02 5.296112e-02 0.000485 0.000060 True native_MD 6 154 171 + N_AB42_17 N_AB42_19 1 0.000000e+00 8.599783e-07 ; 2.782076e-01 -8.599783e-07 7.044858e-02 5.296112e-02 0.000485 0.000060 True native_MD 6 154 171 N_AB42_17 CA_AB42_19 1 5.746679e-03 5.676311e-05 ; 4.632068e-01 1.454480e-01 8.886439e-02 2.564674e-02 0.000485 0.001339 True native_MD 7 154 173 N_AB42_17 CB_AB42_19 1 1.584244e-03 8.939018e-06 ; 4.219341e-01 7.019311e-02 5.425996e-02 6.640535e-03 0.000485 0.000060 True native_MD 7 154 174 N_AB42_17 CG_AB42_19 1 1.311415e-03 4.007181e-06 ; 3.809340e-01 1.072955e-01 1.481043e-03 2.092800e-04 0.000485 0.003309 True native_MD 7 154 175 @@ -34405,9 +34405,9 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 N_AB42_17 CZ_AB42_19 1 1.392860e-03 2.779056e-06 ; 3.548120e-01 1.745250e-01 2.219281e-02 6.631841e-03 0.000485 0.003309 True native_MD 7 154 180 N_AB42_17 C_AB42_19 1 2.660594e-03 9.150677e-06 ; 3.885191e-01 1.933945e-01 1.947902e-02 1.816013e-04 0.000485 0.002166 True native_MD 7 154 181 N_AB42_17 O_AB42_19 1 5.238619e-04 3.302496e-07 ; 2.928224e-01 2.077453e-01 1.045911e-01 7.569914e-03 0.000485 0.002166 True native_MD 7 154 182 - N_AB42_17 N_AB42_20 1 0.000000e+00 8.738511e-07 ; 2.785788e-01 -8.738511e-07 2.123108e-03 4.746553e-04 0.000485 0.000060 True native_MD 7 154 183 + N_AB42_17 N_AB42_20 1 0.000000e+00 8.738420e-07 ; 2.785786e-01 -8.738420e-07 2.123108e-03 4.746553e-04 0.000485 0.000060 True native_MD 7 154 183 N_AB42_17 CA_AB42_20 1 4.396868e-03 3.270346e-05 ; 4.418163e-01 1.477860e-01 1.686479e-02 4.538361e-03 0.000485 0.001339 True native_MD 7 154 185 - N_AB42_17 CB_AB42_20 1 0.000000e+00 3.654023e-06 ; 3.138528e-01 -3.654023e-06 1.620340e-02 1.020275e-02 0.000485 0.000060 True native_MD 7 154 186 + N_AB42_17 CB_AB42_20 1 0.000000e+00 3.653975e-06 ; 3.138524e-01 -3.653975e-06 1.620340e-02 1.020275e-02 0.000485 0.000060 True native_MD 7 154 186 N_AB42_17 CG_AB42_20 1 1.880406e-03 6.135141e-06 ; 3.851195e-01 1.440850e-01 4.453568e-03 1.830554e-03 0.000485 0.003309 True native_MD 7 154 187 N_AB42_17 CD1_AB42_20 1 7.789307e-04 9.626918e-07 ; 3.275906e-01 1.575616e-01 1.232629e-02 6.119595e-03 0.000485 0.003309 True native_MD 7 154 188 N_AB42_17 CD2_AB42_20 1 7.789307e-04 9.626918e-07 ; 3.275906e-01 1.575616e-01 1.232629e-02 6.119595e-03 0.000485 0.003309 True native_MD 7 154 189 @@ -34421,13 +34421,13 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 N_AB42_17 CB_AB42_21 1 1.054640e-03 2.650495e-06 ; 3.687261e-01 1.049110e-01 5.103471e-02 2.209897e-03 0.000485 0.000060 True native_MD 7 154 198 N_AB42_17 O_AB42_21 1 1.399136e-03 4.365450e-06 ; 3.822624e-01 1.121064e-01 1.710383e-03 7.932777e-05 0.000485 0.002166 True native_MD 7 154 200 N_AB42_17 N_AB42_22 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 154 201 - N_AB42_17 CB_AB42_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 204 - N_AB42_17 CG_AB42_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 205 + N_AB42_17 CB_AB42_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 204 + N_AB42_17 CG_AB42_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 205 N_AB42_17 OE1_AB42_22 1 9.447347e-05 2.993990e-08 ; 2.611099e-01 7.452627e-02 5.554905e-04 8.553930e-04 0.000485 0.002166 True native_MD 7 154 207 N_AB42_17 OE2_AB42_22 1 9.447347e-05 2.993990e-08 ; 2.611099e-01 7.452627e-02 5.554905e-04 8.553930e-04 0.000485 0.002166 True native_MD 7 154 208 N_AB42_17 N_AB42_23 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 154 211 N_AB42_17 CA_AB42_23 1 2.380192e-03 1.414244e-05 ; 4.255841e-01 1.001474e-01 1.195820e-03 4.837615e-05 0.000485 0.001339 True native_MD 7 154 213 - N_AB42_17 CB_AB42_23 1 0.000000e+00 3.674036e-06 ; 3.139956e-01 -3.674036e-06 7.840486e-04 2.274695e-04 0.000485 0.000060 True native_MD 7 154 214 + N_AB42_17 CB_AB42_23 1 0.000000e+00 3.673987e-06 ; 3.139953e-01 -3.673987e-06 7.840486e-04 2.274695e-04 0.000485 0.000060 True native_MD 7 154 214 N_AB42_17 CG_AB42_23 1 2.780733e-04 2.277312e-07 ; 3.058749e-01 8.488599e-02 7.573880e-04 3.000341e-04 0.000485 0.002166 True native_MD 7 154 215 N_AB42_17 OD1_AB42_23 1 9.752326e-05 2.666026e-08 ; 2.547569e-01 8.918505e-02 8.613742e-04 4.881940e-04 0.000485 0.002166 True native_MD 7 154 216 N_AB42_17 OD2_AB42_23 1 9.752326e-05 2.666026e-08 ; 2.547569e-01 8.918505e-02 8.613742e-04 4.881940e-04 0.000485 0.002166 True native_MD 7 154 217 @@ -34435,9 +34435,9 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 N_AB42_17 O_AB42_23 1 1.434788e-04 5.116207e-08 ; 2.662932e-01 1.005929e-01 1.211870e-03 4.605432e-06 0.000485 0.002166 True native_MD 7 154 219 N_AB42_17 N_AB42_24 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 154 220 N_AB42_17 CA_AB42_24 1 3.119630e-03 2.412109e-05 ; 4.446814e-01 1.008671e-01 1.221853e-03 0.000000e+00 0.000485 0.001339 True native_MD 7 154 222 - N_AB42_17 CB_AB42_24 1 0.000000e+00 7.571691e-06 ; 3.334989e-01 -7.571691e-06 7.507457e-04 3.146579e-04 0.000485 0.000060 True native_MD 7 154 223 - N_AB42_17 CG1_AB42_24 1 0.000000e+00 2.742824e-06 ; 3.064396e-01 -2.742824e-06 7.226528e-04 6.853504e-04 0.000485 0.000060 True native_MD 7 154 224 - N_AB42_17 CG2_AB42_24 1 0.000000e+00 2.741769e-06 ; 3.064297e-01 -2.741769e-06 7.630885e-04 3.410951e-04 0.000485 0.000060 True native_MD 7 154 225 + N_AB42_17 CB_AB42_24 1 0.000000e+00 7.571680e-06 ; 3.334989e-01 -7.571680e-06 7.507457e-04 3.146579e-04 0.000485 0.000060 True native_MD 7 154 223 + N_AB42_17 CG1_AB42_24 1 0.000000e+00 2.742798e-06 ; 3.064393e-01 -2.742798e-06 7.226528e-04 6.853504e-04 0.000485 0.000060 True native_MD 7 154 224 + N_AB42_17 CG2_AB42_24 1 0.000000e+00 2.741743e-06 ; 3.064295e-01 -2.741743e-06 7.630885e-04 3.410951e-04 0.000485 0.000060 True native_MD 7 154 225 N_AB42_17 N_AB42_25 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 3.836974e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 154 228 N_AB42_17 CA_AB42_25 1 1.688825e-03 7.473488e-06 ; 4.051879e-01 9.540831e-02 1.037704e-03 5.007165e-05 0.000485 0.001584 True native_MD 7 154 230 N_AB42_17 O_AB42_25 1 1.540131e-04 7.492672e-08 ; 2.804442e-01 7.914412e-02 6.378129e-04 5.021699e-05 0.000485 0.002166 True native_MD 7 154 232 @@ -34455,9 +34455,9 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 N_AB42_17 N_AB42_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 154 249 N_AB42_17 CA_AB42_28 1 3.648286e-03 3.111403e-05 ; 4.520064e-01 1.069453e-01 1.465600e-03 0.000000e+00 0.000485 0.001339 True native_MD 7 154 251 N_AB42_17 CB_AB42_28 1 1.114100e-03 3.480439e-06 ; 3.823417e-01 8.915682e-02 8.606468e-04 3.550445e-06 0.000485 0.000060 True native_MD 7 154 252 - N_AB42_17 CG_AB42_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 253 - N_AB42_17 CD_AB42_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 254 - N_AB42_17 CE_AB42_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 255 + N_AB42_17 CG_AB42_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 253 + N_AB42_17 CD_AB42_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 254 + N_AB42_17 CE_AB42_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 255 N_AB42_17 NZ_AB42_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 9.503845e-05 5.265565e-05 0.000485 0.000060 True native_MD 7 154 256 N_AB42_17 O_AB42_28 1 2.076665e-04 8.309594e-08 ; 2.714577e-01 1.297458e-01 2.899654e-03 5.001200e-05 0.000485 0.002166 True native_MD 7 154 258 N_AB42_17 N_AB42_29 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 4.484174e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 154 259 @@ -34476,7 +34476,7 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 N_AB42_17 N_AB42_32 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 154 279 N_AB42_17 CA_AB42_32 1 3.091569e-03 2.863144e-05 ; 4.582587e-01 8.345542e-02 7.256477e-04 4.397712e-05 0.000485 0.001339 True native_MD 7 154 281 N_AB42_17 CB_AB42_32 1 2.370170e-03 1.410679e-05 ; 4.257044e-01 9.955678e-02 1.174870e-03 0.000000e+00 0.000485 0.000060 True native_MD 7 154 282 - N_AB42_17 CG1_AB42_32 1 0.000000e+00 3.671946e-06 ; 3.139808e-01 -3.671946e-06 1.317478e-03 1.924456e-04 0.000485 0.000060 True native_MD 7 154 283 + N_AB42_17 CG1_AB42_32 1 0.000000e+00 3.671898e-06 ; 3.139804e-01 -3.671898e-06 1.317478e-03 1.924456e-04 0.000485 0.000060 True native_MD 7 154 283 N_AB42_17 CG2_AB42_32 1 8.609461e-04 1.655989e-06 ; 3.526525e-01 1.119011e-01 1.699907e-03 1.643543e-05 0.000485 0.000060 True native_MD 7 154 284 N_AB42_17 CD_AB42_32 1 6.400919e-04 1.266404e-06 ; 3.543140e-01 8.088213e-02 3.940853e-03 3.502613e-04 0.000485 0.000060 True native_MD 7 154 285 N_AB42_17 O_AB42_32 1 5.975518e-04 9.693599e-07 ; 3.427822e-01 9.208864e-02 9.395694e-04 1.438315e-04 0.000485 0.002166 True native_MD 7 154 287 @@ -34541,7 +34541,7 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 N_AB42_17 CA_AB42_42 1 3.640116e-03 2.091884e-05 ; 4.232241e-01 1.583554e-01 6.826142e-03 4.974845e-07 0.000485 0.001339 True native_MD 7 154 356 N_AB42_17 CB_AB42_42 1 1.496638e-03 3.911130e-06 ; 3.711342e-01 1.431763e-01 5.592071e-03 7.704737e-05 0.000485 0.000060 True native_MD 7 154 357 H_AB42_17 H_AB42_17 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 155 - H_AB42_17 O_AB42_17 1 0.000000e+00 1.274909e-08 ; 1.958626e-01 -1.274909e-08 5.435838e-01 3.652469e-01 0.000485 0.000060 True native_MD 4 155 162 + H_AB42_17 O_AB42_17 1 0.000000e+00 1.274929e-08 ; 1.958629e-01 -1.274929e-08 5.435838e-01 3.652469e-01 0.000485 0.000060 True native_MD 4 155 162 H_AB42_17 H_AB42_18 1 0.000000e+00 1.463682e-08 ; 1.981294e-01 -1.463682e-08 1.620164e-01 3.817515e-01 0.000485 0.000060 True native_MD 5 155 164 H_AB42_17 O_AB42_18 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 170 H_AB42_17 H_AB42_19 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 172 @@ -34599,13 +34599,13 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 H_AB42_17 H_AB42_42 1 7.984342e-05 2.110224e-08 ; 2.533271e-01 7.552483e-02 5.723405e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 155 355 H_AB42_17 O1_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 359 H_AB42_17 O2_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 360 - CA_AB42_17 CB_AB42_18 1 0.000000e+00 6.555563e-05 ; 3.992202e-01 -6.555563e-05 9.999975e-01 9.999958e-01 0.000485 0.000060 True native_MD 4 156 166 - CA_AB42_17 CG1_AB42_18 1 0.000000e+00 3.030391e-05 ; 3.743575e-01 -3.030391e-05 3.313121e-01 6.079160e-01 0.000485 0.000060 True native_MD 5 156 167 - CA_AB42_17 CG2_AB42_18 1 0.000000e+00 2.161628e-05 ; 3.639654e-01 -2.161628e-05 9.513116e-01 8.619342e-01 0.000485 0.000060 True native_MD 5 156 168 - CA_AB42_17 C_AB42_18 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 156 169 - CA_AB42_17 O_AB42_18 1 0.000000e+00 4.710618e-06 ; 3.205665e-01 -4.710618e-06 4.337117e-01 5.678454e-01 0.000485 0.000060 True native_MD 5 156 170 - CA_AB42_17 N_AB42_19 1 0.000000e+00 6.051889e-06 ; 3.273301e-01 -6.051889e-06 7.630806e-01 5.620104e-01 0.000485 0.000060 True native_MD 5 156 171 - CA_AB42_17 CA_AB42_19 1 0.000000e+00 5.168080e-05 ; 3.913864e-01 -5.168080e-05 7.692743e-01 5.576232e-01 0.000485 0.000060 True native_MD 6 156 173 + CA_AB42_17 CB_AB42_18 1 0.000000e+00 6.555611e-05 ; 3.992204e-01 -6.555611e-05 9.999975e-01 9.999958e-01 0.000485 0.000060 True native_MD 4 156 166 + CA_AB42_17 CG1_AB42_18 1 0.000000e+00 3.030389e-05 ; 3.743575e-01 -3.030389e-05 3.313121e-01 6.079160e-01 0.000485 0.000060 True native_MD 5 156 167 + CA_AB42_17 CG2_AB42_18 1 0.000000e+00 2.161627e-05 ; 3.639654e-01 -2.161627e-05 9.513116e-01 8.619342e-01 0.000485 0.000060 True native_MD 5 156 168 + CA_AB42_17 C_AB42_18 1 0.000000e+00 1.305180e-05 ; 3.489803e-01 -1.305180e-05 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 156 169 + CA_AB42_17 O_AB42_18 1 0.000000e+00 4.710656e-06 ; 3.205667e-01 -4.710656e-06 4.337117e-01 5.678454e-01 0.000485 0.000060 True native_MD 5 156 170 + CA_AB42_17 N_AB42_19 1 0.000000e+00 6.051880e-06 ; 3.273300e-01 -6.051880e-06 7.630806e-01 5.620104e-01 0.000485 0.000060 True native_MD 5 156 171 + CA_AB42_17 CA_AB42_19 1 0.000000e+00 5.168118e-05 ; 3.913867e-01 -5.168118e-05 7.692743e-01 5.576232e-01 0.000485 0.000060 True native_MD 6 156 173 CA_AB42_17 CB_AB42_19 1 6.971122e-03 1.047171e-04 ; 4.967286e-01 1.160186e-01 3.480636e-01 1.848053e-01 0.000485 0.001021 True native_MD 7 156 174 CA_AB42_17 CG_AB42_19 1 5.305566e-03 5.658878e-05 ; 4.691731e-01 1.243578e-01 8.187728e-02 6.411880e-02 0.000485 0.001933 True native_MD 7 156 175 CA_AB42_17 CD1_AB42_19 1 3.015681e-03 1.783097e-05 ; 4.252375e-01 1.275075e-01 1.665953e-01 1.187269e-01 0.000485 0.001933 True native_MD 7 156 176 @@ -34635,9 +34635,9 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 CA_AB42_17 CA_AB42_22 1 7.065812e-03 1.049062e-04 ; 4.957620e-01 1.189769e-01 4.307221e-03 1.809610e-03 0.000485 0.000883 True native_MD 7 156 203 CA_AB42_17 CB_AB42_22 1 3.245822e-03 2.609649e-05 ; 4.475857e-01 1.009270e-01 2.612448e-03 2.178935e-03 0.000485 0.001021 True native_MD 7 156 204 CA_AB42_17 CG_AB42_22 1 2.784109e-03 2.524766e-05 ; 4.566560e-01 7.675230e-02 2.828657e-03 4.863705e-03 0.000485 0.001021 True native_MD 7 156 205 - CA_AB42_17 CD_AB42_22 1 0.000000e+00 1.308541e-05 ; 3.490551e-01 -1.308541e-05 1.062834e-03 3.633024e-03 0.000485 0.001339 True native_MD 7 156 206 - CA_AB42_17 OE1_AB42_22 1 0.000000e+00 3.368019e-06 ; 3.117283e-01 -3.368019e-06 8.499719e-04 2.577872e-03 0.000485 0.001339 True native_MD 7 156 207 - CA_AB42_17 OE2_AB42_22 1 0.000000e+00 3.368019e-06 ; 3.117283e-01 -3.368019e-06 8.499719e-04 2.577872e-03 0.000485 0.001339 True native_MD 7 156 208 + CA_AB42_17 CD_AB42_22 1 0.000000e+00 1.308534e-05 ; 3.490549e-01 -1.308534e-05 1.062834e-03 3.633024e-03 0.000485 0.001339 True native_MD 7 156 206 + CA_AB42_17 OE1_AB42_22 1 0.000000e+00 3.368046e-06 ; 3.117285e-01 -3.368046e-06 8.499719e-04 2.577872e-03 0.000485 0.001339 True native_MD 7 156 207 + CA_AB42_17 OE2_AB42_22 1 0.000000e+00 3.368046e-06 ; 3.117285e-01 -3.368046e-06 8.499719e-04 2.577872e-03 0.000485 0.001339 True native_MD 7 156 208 CA_AB42_17 C_AB42_22 1 3.191606e-03 2.677586e-05 ; 4.507707e-01 9.510761e-02 1.028408e-03 1.245702e-04 0.000485 0.001339 True native_MD 7 156 209 CA_AB42_17 O_AB42_22 1 6.328649e-04 1.096272e-06 ; 3.465516e-01 9.133637e-02 9.186536e-04 3.239041e-04 0.000485 0.001339 True native_MD 7 156 210 CA_AB42_17 CA_AB42_23 1 7.158939e-03 1.090645e-04 ; 4.978966e-01 1.174773e-01 3.145233e-03 1.382074e-03 0.000485 0.000883 True native_MD 7 156 213 @@ -34765,28 +34765,28 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 CA_AB42_17 CA_AB42_42 1 7.549187e-03 7.358420e-05 ; 4.621831e-01 1.936225e-01 1.961237e-02 4.918404e-04 0.000485 0.000883 True native_MD 7 156 356 CA_AB42_17 CB_AB42_42 1 3.586091e-03 1.661005e-05 ; 4.082802e-01 1.935582e-01 1.957469e-02 8.288293e-04 0.000485 0.001932 True native_MD 7 156 357 CA_AB42_17 C_AB42_42 1 1.678146e-03 8.915657e-06 ; 4.177219e-01 7.896710e-02 6.344429e-04 1.749720e-04 0.000485 0.001339 True native_MD 7 156 358 - CB_AB42_17 C_AB42_17 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 161 + CB_AB42_17 C_AB42_17 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 161 CB_AB42_17 O_AB42_17 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 162 - CB_AB42_17 N_AB42_18 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 163 - CB_AB42_17 CA_AB42_18 1 0.000000e+00 3.181347e-05 ; 3.758772e-01 -3.181347e-05 1.000000e+00 9.999944e-01 0.000485 0.000060 True native_MD 4 157 165 - CB_AB42_17 CB_AB42_18 1 0.000000e+00 3.089917e-05 ; 3.749649e-01 -3.089917e-05 9.557217e-01 9.269768e-01 0.000485 0.000060 True native_MD 5 157 166 - CB_AB42_17 CG1_AB42_18 1 0.000000e+00 1.280165e-05 ; 3.484179e-01 -1.280165e-05 7.395285e-02 1.852254e-01 0.000485 0.000060 True native_MD 6 157 167 - CB_AB42_17 CG2_AB42_18 1 0.000000e+00 7.782728e-06 ; 3.342638e-01 -7.782728e-06 6.360566e-01 3.116518e-01 0.000485 0.000060 True native_MD 6 157 168 - CB_AB42_17 C_AB42_18 1 0.000000e+00 7.919790e-06 ; 3.347504e-01 -7.919790e-06 2.406846e-01 4.910538e-01 0.000485 0.000060 True native_MD 5 157 169 - CB_AB42_17 O_AB42_18 1 0.000000e+00 2.255435e-06 ; 3.014839e-01 -2.255435e-06 6.561552e-02 1.845735e-01 0.000485 0.000060 True native_MD 6 157 170 - CB_AB42_17 N_AB42_19 1 0.000000e+00 4.165696e-06 ; 3.172992e-01 -4.165696e-06 5.292248e-02 1.861116e-01 0.000485 0.000060 True native_MD 6 157 171 - CB_AB42_17 CA_AB42_19 1 0.000000e+00 3.581294e-05 ; 3.796048e-01 -3.581294e-05 8.368908e-02 2.093988e-01 0.000485 0.001021 True native_MD 7 157 173 - CB_AB42_17 CB_AB42_19 1 0.000000e+00 1.666505e-05 ; 3.561603e-01 -1.666505e-05 2.982159e-02 1.092408e-01 0.000485 0.001190 True native_MD 7 157 174 + CB_AB42_17 N_AB42_18 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 163 + CB_AB42_17 CA_AB42_18 1 0.000000e+00 3.181334e-05 ; 3.758770e-01 -3.181334e-05 1.000000e+00 9.999944e-01 0.000485 0.000060 True native_MD 4 157 165 + CB_AB42_17 CB_AB42_18 1 0.000000e+00 3.089904e-05 ; 3.749647e-01 -3.089904e-05 9.557217e-01 9.269768e-01 0.000485 0.000060 True native_MD 5 157 166 + CB_AB42_17 CG1_AB42_18 1 0.000000e+00 1.280149e-05 ; 3.484176e-01 -1.280149e-05 7.395285e-02 1.852254e-01 0.000485 0.000060 True native_MD 6 157 167 + CB_AB42_17 CG2_AB42_18 1 0.000000e+00 7.782634e-06 ; 3.342634e-01 -7.782634e-06 6.360566e-01 3.116518e-01 0.000485 0.000060 True native_MD 6 157 168 + CB_AB42_17 C_AB42_18 1 0.000000e+00 7.919657e-06 ; 3.347500e-01 -7.919657e-06 2.406846e-01 4.910538e-01 0.000485 0.000060 True native_MD 5 157 169 + CB_AB42_17 O_AB42_18 1 0.000000e+00 2.255426e-06 ; 3.014839e-01 -2.255426e-06 6.561552e-02 1.845735e-01 0.000485 0.000060 True native_MD 6 157 170 + CB_AB42_17 N_AB42_19 1 0.000000e+00 4.165641e-06 ; 3.172988e-01 -4.165641e-06 5.292248e-02 1.861116e-01 0.000485 0.000060 True native_MD 6 157 171 + CB_AB42_17 CA_AB42_19 1 0.000000e+00 3.581279e-05 ; 3.796046e-01 -3.581279e-05 8.368908e-02 2.093988e-01 0.000485 0.001021 True native_MD 7 157 173 + CB_AB42_17 CB_AB42_19 1 0.000000e+00 1.666478e-05 ; 3.561599e-01 -1.666478e-05 2.982159e-02 1.092408e-01 0.000485 0.001190 True native_MD 7 157 174 CB_AB42_17 CG_AB42_19 1 3.275892e-03 2.159046e-05 ; 4.330008e-01 1.242617e-01 6.272916e-02 5.945070e-02 0.000485 0.002332 True native_MD 7 157 175 CB_AB42_17 CD1_AB42_19 1 1.450346e-03 4.108533e-06 ; 3.761570e-01 1.279960e-01 9.497461e-02 8.049350e-02 0.000485 0.002332 True native_MD 7 157 176 CB_AB42_17 CD2_AB42_19 1 1.450346e-03 4.108533e-06 ; 3.761570e-01 1.279960e-01 9.497461e-02 8.049350e-02 0.000485 0.002332 True native_MD 7 157 177 CB_AB42_17 CE1_AB42_19 1 9.018590e-04 1.526979e-06 ; 3.452357e-01 1.331632e-01 1.310627e-01 9.516477e-02 0.000485 0.002332 True native_MD 7 157 178 CB_AB42_17 CE2_AB42_19 1 9.018590e-04 1.526979e-06 ; 3.452357e-01 1.331632e-01 1.310627e-01 9.516477e-02 0.000485 0.002332 True native_MD 7 157 179 CB_AB42_17 CZ_AB42_19 1 8.597621e-04 1.350112e-06 ; 3.409300e-01 1.368759e-01 1.440273e-01 9.358141e-02 0.000485 0.002332 True native_MD 7 157 180 - CB_AB42_17 C_AB42_19 1 0.000000e+00 6.669195e-06 ; 3.299903e-01 -6.669195e-06 1.146985e-02 6.439635e-02 0.000485 0.000060 True native_MD 7 157 181 - CB_AB42_17 O_AB42_19 1 0.000000e+00 2.128381e-06 ; 3.000308e-01 -2.128381e-06 1.130897e-02 6.723337e-02 0.000485 0.001191 True native_MD 7 157 182 - CB_AB42_17 N_AB42_20 1 0.000000e+00 3.779708e-06 ; 3.147385e-01 -3.779708e-06 1.226205e-02 4.045126e-02 0.000485 0.000060 True native_MD 7 157 183 - CB_AB42_17 CA_AB42_20 1 0.000000e+00 3.337162e-05 ; 3.773779e-01 -3.337162e-05 3.029859e-02 7.927026e-02 0.000485 0.001021 True native_MD 7 157 185 + CB_AB42_17 C_AB42_19 1 0.000000e+00 6.669083e-06 ; 3.299898e-01 -6.669083e-06 1.146985e-02 6.439635e-02 0.000485 0.000060 True native_MD 7 157 181 + CB_AB42_17 O_AB42_19 1 0.000000e+00 2.128373e-06 ; 3.000307e-01 -2.128373e-06 1.130897e-02 6.723337e-02 0.000485 0.001191 True native_MD 7 157 182 + CB_AB42_17 N_AB42_20 1 0.000000e+00 3.779658e-06 ; 3.147381e-01 -3.779658e-06 1.226205e-02 4.045126e-02 0.000485 0.000060 True native_MD 7 157 183 + CB_AB42_17 CA_AB42_20 1 0.000000e+00 3.337148e-05 ; 3.773777e-01 -3.337148e-05 3.029859e-02 7.927026e-02 0.000485 0.001021 True native_MD 7 157 185 CB_AB42_17 CB_AB42_20 1 8.989047e-04 2.688716e-06 ; 3.795817e-01 7.513155e-02 3.197123e-02 6.727398e-02 0.000485 0.001190 True native_MD 7 157 186 CB_AB42_17 CG_AB42_20 1 1.813183e-03 7.987140e-06 ; 4.048787e-01 1.029039e-01 2.098183e-02 3.767997e-02 0.000485 0.002332 True native_MD 7 157 187 CB_AB42_17 CD1_AB42_20 1 1.059056e-03 2.660899e-06 ; 3.687100e-01 1.053778e-01 2.431212e-02 4.054503e-02 0.000485 0.002332 True native_MD 7 157 188 @@ -34794,42 +34794,42 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 CB_AB42_17 CE1_AB42_20 1 9.372955e-04 2.025147e-06 ; 3.595534e-01 1.084517e-01 2.485575e-02 3.780863e-02 0.000485 0.002332 True native_MD 7 157 190 CB_AB42_17 CE2_AB42_20 1 9.372955e-04 2.025147e-06 ; 3.595534e-01 1.084517e-01 2.485575e-02 3.780863e-02 0.000485 0.002332 True native_MD 7 157 191 CB_AB42_17 CZ_AB42_20 1 8.334200e-04 1.606546e-06 ; 3.527807e-01 1.080873e-01 2.184015e-02 3.358582e-02 0.000485 0.002332 True native_MD 7 157 192 - CB_AB42_17 C_AB42_20 1 0.000000e+00 6.376329e-06 ; 3.287577e-01 -6.376329e-06 5.724659e-03 1.241374e-02 0.000485 0.000060 True native_MD 7 157 193 + CB_AB42_17 C_AB42_20 1 0.000000e+00 6.376222e-06 ; 3.287572e-01 -6.376222e-06 5.724659e-03 1.241374e-02 0.000485 0.000060 True native_MD 7 157 193 CB_AB42_17 O_AB42_20 1 4.363611e-04 5.086418e-07 ; 3.244101e-01 9.358798e-02 6.766894e-03 8.198307e-03 0.000485 0.001191 True native_MD 7 157 194 - CB_AB42_17 N_AB42_21 1 0.000000e+00 3.689699e-06 ; 3.141070e-01 -3.689699e-06 2.541097e-03 6.245390e-03 0.000485 0.000060 True native_MD 7 157 195 + CB_AB42_17 N_AB42_21 1 0.000000e+00 3.689650e-06 ; 3.141066e-01 -3.689650e-06 2.541097e-03 6.245390e-03 0.000485 0.000060 True native_MD 7 157 195 CB_AB42_17 CA_AB42_21 1 2.269875e-03 1.644807e-05 ; 4.398982e-01 7.831212e-02 1.053590e-02 1.728965e-02 0.000485 0.001021 True native_MD 7 157 197 CB_AB42_17 CB_AB42_21 1 2.598181e-03 1.413725e-05 ; 4.193879e-01 1.193752e-01 1.539038e-02 1.688151e-02 0.000485 0.002332 True native_MD 7 157 198 - CB_AB42_17 C_AB42_21 1 0.000000e+00 6.325017e-06 ; 3.285364e-01 -6.325017e-06 2.021949e-03 6.098629e-04 0.000485 0.000060 True native_MD 7 157 199 + CB_AB42_17 C_AB42_21 1 0.000000e+00 6.324911e-06 ; 3.285359e-01 -6.324911e-06 2.021949e-03 6.098629e-04 0.000485 0.000060 True native_MD 7 157 199 CB_AB42_17 O_AB42_21 1 7.190555e-04 1.091623e-06 ; 3.390146e-01 1.184110e-01 2.065533e-03 5.619481e-04 0.000485 0.001191 True native_MD 7 157 200 - CB_AB42_17 N_AB42_22 1 0.000000e+00 3.673052e-06 ; 3.139886e-01 -3.673052e-06 1.042050e-03 2.178534e-04 0.000485 0.000060 True native_MD 7 157 201 + CB_AB42_17 N_AB42_22 1 0.000000e+00 3.673004e-06 ; 3.139883e-01 -3.673004e-06 1.042050e-03 2.178534e-04 0.000485 0.000060 True native_MD 7 157 201 CB_AB42_17 CA_AB42_22 1 2.690370e-03 1.614349e-05 ; 4.262826e-01 1.120899e-01 4.899981e-03 2.926240e-03 0.000485 0.001021 True native_MD 7 157 203 CB_AB42_17 CB_AB42_22 1 1.272708e-03 4.270037e-06 ; 3.869164e-01 9.483436e-02 3.119852e-03 3.640416e-03 0.000485 0.001190 True native_MD 7 157 204 CB_AB42_17 CG_AB42_22 1 1.070212e-03 3.726735e-06 ; 3.893227e-01 7.683362e-02 3.118597e-03 6.236283e-03 0.000485 0.001190 True native_MD 7 157 205 - CB_AB42_17 CD_AB42_22 1 0.000000e+00 6.362509e-06 ; 3.286982e-01 -6.362509e-06 1.077552e-03 5.584623e-03 0.000485 0.000060 True native_MD 7 157 206 - CB_AB42_17 OE1_AB42_22 1 0.000000e+00 1.637079e-06 ; 2.935401e-01 -1.637079e-06 6.830378e-04 4.009116e-03 0.000485 0.000060 True native_MD 7 157 207 - CB_AB42_17 OE2_AB42_22 1 0.000000e+00 1.637079e-06 ; 2.935401e-01 -1.637079e-06 6.830378e-04 4.009116e-03 0.000485 0.000060 True native_MD 7 157 208 - CB_AB42_17 C_AB42_22 1 0.000000e+00 6.328849e-06 ; 3.285530e-01 -6.328849e-06 1.252690e-03 4.456671e-04 0.000485 0.000060 True native_MD 7 157 209 + CB_AB42_17 CD_AB42_22 1 0.000000e+00 6.362402e-06 ; 3.286978e-01 -6.362402e-06 1.077552e-03 5.584623e-03 0.000485 0.000060 True native_MD 7 157 206 + CB_AB42_17 OE1_AB42_22 1 0.000000e+00 1.637073e-06 ; 2.935400e-01 -1.637073e-06 6.830378e-04 4.009116e-03 0.000485 0.000060 True native_MD 7 157 207 + CB_AB42_17 OE2_AB42_22 1 0.000000e+00 1.637073e-06 ; 2.935400e-01 -1.637073e-06 6.830378e-04 4.009116e-03 0.000485 0.000060 True native_MD 7 157 208 + CB_AB42_17 C_AB42_22 1 0.000000e+00 6.328743e-06 ; 3.285525e-01 -6.328743e-06 1.252690e-03 4.456671e-04 0.000485 0.000060 True native_MD 7 157 209 CB_AB42_17 O_AB42_22 1 4.798717e-04 6.074098e-07 ; 3.288966e-01 9.477821e-02 1.018320e-03 7.822046e-04 0.000485 0.001191 True native_MD 7 157 210 - CB_AB42_17 N_AB42_23 1 0.000000e+00 3.674387e-06 ; 3.139981e-01 -3.674387e-06 6.607873e-04 1.997653e-04 0.000485 0.000060 True native_MD 7 157 211 + CB_AB42_17 N_AB42_23 1 0.000000e+00 3.674339e-06 ; 3.139978e-01 -3.674339e-06 6.607873e-04 1.997653e-04 0.000485 0.000060 True native_MD 7 157 211 CB_AB42_17 CA_AB42_23 1 2.413131e-03 1.479930e-05 ; 4.278354e-01 9.836954e-02 2.436305e-03 2.193646e-03 0.000485 0.001021 True native_MD 7 157 213 CB_AB42_17 CB_AB42_23 1 7.819907e-04 1.853440e-06 ; 3.651429e-01 8.248305e-02 1.803200e-03 3.044996e-03 0.000485 0.001190 True native_MD 7 157 214 - CB_AB42_17 CG_AB42_23 1 0.000000e+00 6.343868e-06 ; 3.286179e-01 -6.343868e-06 9.424697e-04 2.506525e-03 0.000485 0.000060 True native_MD 7 157 215 - CB_AB42_17 OD1_AB42_23 1 0.000000e+00 1.633140e-06 ; 2.934812e-01 -1.633140e-06 6.518167e-04 1.563661e-03 0.000485 0.000060 True native_MD 7 157 216 - CB_AB42_17 OD2_AB42_23 1 0.000000e+00 1.633140e-06 ; 2.934812e-01 -1.633140e-06 6.518167e-04 1.563661e-03 0.000485 0.000060 True native_MD 7 157 217 - CB_AB42_17 C_AB42_23 1 0.000000e+00 6.326233e-06 ; 3.285416e-01 -6.326233e-06 1.484368e-03 2.642296e-04 0.000485 0.000060 True native_MD 7 157 218 + CB_AB42_17 CG_AB42_23 1 0.000000e+00 6.343761e-06 ; 3.286174e-01 -6.343761e-06 9.424697e-04 2.506525e-03 0.000485 0.000060 True native_MD 7 157 215 + CB_AB42_17 OD1_AB42_23 1 0.000000e+00 1.633134e-06 ; 2.934811e-01 -1.633134e-06 6.518167e-04 1.563661e-03 0.000485 0.000060 True native_MD 7 157 216 + CB_AB42_17 OD2_AB42_23 1 0.000000e+00 1.633134e-06 ; 2.934811e-01 -1.633134e-06 6.518167e-04 1.563661e-03 0.000485 0.000060 True native_MD 7 157 217 + CB_AB42_17 C_AB42_23 1 0.000000e+00 6.326127e-06 ; 3.285412e-01 -6.326127e-06 1.484368e-03 2.642296e-04 0.000485 0.000060 True native_MD 7 157 218 CB_AB42_17 O_AB42_23 1 1.115855e-03 2.780924e-06 ; 3.682111e-01 1.119351e-01 1.701637e-03 3.650208e-04 0.000485 0.001191 True native_MD 7 157 219 - CB_AB42_17 N_AB42_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 220 + CB_AB42_17 N_AB42_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 220 CB_AB42_17 CA_AB42_24 1 2.708996e-03 1.785201e-05 ; 4.329919e-01 1.027708e-01 2.215108e-03 1.748351e-03 0.000485 0.001021 True native_MD 7 157 222 CB_AB42_17 CB_AB42_24 1 3.780508e-03 3.551012e-05 ; 4.593394e-01 1.006209e-01 4.777277e-03 4.021197e-03 0.000485 0.001021 True native_MD 7 157 223 CB_AB42_17 CG1_AB42_24 1 2.226575e-03 9.993731e-06 ; 4.061456e-01 1.240186e-01 4.564404e-03 4.357096e-03 0.000485 0.002332 True native_MD 7 157 224 CB_AB42_17 CG2_AB42_24 1 1.530594e-03 4.655356e-06 ; 3.806409e-01 1.258077e-01 4.131028e-03 3.737830e-03 0.000485 0.002332 True native_MD 7 157 225 - CB_AB42_17 C_AB42_24 1 0.000000e+00 6.332673e-06 ; 3.285695e-01 -6.332673e-06 5.966305e-04 3.932157e-04 0.000485 0.000060 True native_MD 7 157 226 + CB_AB42_17 C_AB42_24 1 0.000000e+00 6.332566e-06 ; 3.285690e-01 -6.332566e-06 5.966305e-04 3.932157e-04 0.000485 0.000060 True native_MD 7 157 226 CB_AB42_17 O_AB42_24 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 4.817961e-04 5.017450e-04 0.000485 0.001191 True native_MD 7 157 227 - CB_AB42_17 N_AB42_25 1 0.000000e+00 3.672759e-06 ; 3.139865e-01 -3.672759e-06 1.050728e-03 1.467428e-04 0.000485 0.000060 True native_MD 7 157 228 + CB_AB42_17 N_AB42_25 1 0.000000e+00 3.672710e-06 ; 3.139862e-01 -3.672710e-06 1.050728e-03 1.467428e-04 0.000485 0.000060 True native_MD 7 157 228 CB_AB42_17 CA_AB42_25 1 1.472224e-03 4.668444e-06 ; 3.832949e-01 1.160688e-01 2.618059e-03 1.618154e-03 0.000485 0.001190 True native_MD 7 157 230 - CB_AB42_17 C_AB42_25 1 0.000000e+00 6.328337e-06 ; 3.285508e-01 -6.328337e-06 1.411837e-03 5.238432e-04 0.000485 0.000060 True native_MD 7 157 231 + CB_AB42_17 C_AB42_25 1 0.000000e+00 6.328230e-06 ; 3.285503e-01 -6.328230e-06 1.411837e-03 5.238432e-04 0.000485 0.000060 True native_MD 7 157 231 CB_AB42_17 O_AB42_25 1 5.598733e-04 7.646823e-07 ; 3.330928e-01 1.024798e-01 1.282271e-03 7.222155e-04 0.000485 0.001191 True native_MD 7 157 232 - CB_AB42_17 N_AB42_26 1 0.000000e+00 3.674117e-06 ; 3.139962e-01 -3.674117e-06 6.883953e-04 1.539677e-04 0.000485 0.000060 True native_MD 7 157 233 + CB_AB42_17 N_AB42_26 1 0.000000e+00 3.674069e-06 ; 3.139959e-01 -3.674069e-06 6.883953e-04 1.539677e-04 0.000485 0.000060 True native_MD 7 157 233 CB_AB42_17 CA_AB42_26 1 9.876537e-03 1.109301e-04 ; 4.732320e-01 2.198365e-01 5.678590e-02 1.348992e-03 0.000485 0.001021 True native_MD 7 157 235 CB_AB42_17 CB_AB42_26 1 7.046829e-03 5.760030e-05 ; 4.488196e-01 2.155275e-01 5.010124e-02 1.578546e-03 0.000485 0.001190 True native_MD 7 157 236 CB_AB42_17 OG_AB42_26 1 6.300292e-04 1.048024e-06 ; 3.442192e-01 9.468694e-02 1.068032e-02 6.280146e-04 0.000485 0.000060 True native_MD 7 157 237 @@ -34838,9 +34838,9 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 CB_AB42_17 N_AB42_27 1 1.227941e-03 4.281860e-06 ; 3.894118e-01 8.803650e-02 8.322705e-04 2.337522e-05 0.000485 0.000060 True native_MD 7 157 240 CB_AB42_17 CA_AB42_27 1 4.494531e-03 3.080574e-05 ; 4.358375e-01 1.639370e-01 8.067120e-03 6.516884e-04 0.000485 0.001021 True native_MD 7 157 242 CB_AB42_17 CB_AB42_27 1 2.875769e-03 1.263079e-05 ; 4.046809e-01 1.636883e-01 8.007281e-03 7.666292e-04 0.000485 0.001190 True native_MD 7 157 243 - CB_AB42_17 CG_AB42_27 1 0.000000e+00 6.305164e-06 ; 3.284503e-01 -6.305164e-06 5.559829e-03 1.013342e-03 0.000485 0.000060 True native_MD 7 157 244 + CB_AB42_17 CG_AB42_27 1 0.000000e+00 6.305058e-06 ; 3.284499e-01 -6.305058e-06 5.559829e-03 1.013342e-03 0.000485 0.000060 True native_MD 7 157 244 CB_AB42_17 OD1_AB42_27 1 6.780824e-04 8.184716e-07 ; 3.263023e-01 1.404434e-01 3.993735e-03 9.260275e-04 0.000485 0.001191 True native_MD 7 157 245 - CB_AB42_17 ND2_AB42_27 1 0.000000e+00 6.310842e-06 ; 3.284750e-01 -6.310842e-06 4.784872e-03 1.598332e-03 0.000485 0.000060 True native_MD 7 157 246 + CB_AB42_17 ND2_AB42_27 1 0.000000e+00 6.310806e-06 ; 3.284748e-01 -6.310806e-06 4.784872e-03 1.598332e-03 0.000485 0.000060 True native_MD 7 157 246 CB_AB42_17 C_AB42_27 1 8.024008e-04 1.972430e-06 ; 3.673683e-01 8.160582e-02 1.991638e-03 1.732235e-04 0.000485 0.000060 True native_MD 7 157 247 CB_AB42_17 O_AB42_27 1 6.806227e-04 9.607610e-07 ; 3.349280e-01 1.205418e-01 2.201529e-03 2.233734e-04 0.000485 0.001191 True native_MD 7 157 248 CB_AB42_17 N_AB42_28 1 7.486064e-04 1.490349e-06 ; 3.546819e-01 9.400679e-02 9.950808e-04 5.003314e-05 0.000485 0.000060 True native_MD 7 157 249 @@ -34849,7 +34849,7 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 CB_AB42_17 CG_AB42_28 1 3.968793e-03 2.766597e-05 ; 4.370669e-01 1.423348e-01 4.226305e-03 8.870491e-04 0.000485 0.001190 True native_MD 7 157 253 CB_AB42_17 CD_AB42_28 1 2.119971e-03 9.304331e-06 ; 4.046311e-01 1.207576e-01 2.915310e-03 1.565977e-03 0.000485 0.001190 True native_MD 7 157 254 CB_AB42_17 CE_AB42_28 1 2.325334e-03 1.283579e-05 ; 4.203937e-01 1.053145e-01 2.245000e-03 1.914375e-03 0.000485 0.001190 True native_MD 7 157 255 - CB_AB42_17 NZ_AB42_28 1 0.000000e+00 3.677542e-06 ; 3.140206e-01 -3.677542e-06 6.664800e-04 1.063723e-03 0.000485 0.000060 True native_MD 7 157 256 + CB_AB42_17 NZ_AB42_28 1 0.000000e+00 3.677494e-06 ; 3.140203e-01 -3.677494e-06 6.664800e-04 1.063723e-03 0.000485 0.000060 True native_MD 7 157 256 CB_AB42_17 C_AB42_28 1 1.772796e-03 7.862172e-06 ; 4.053349e-01 9.993441e-02 9.503969e-03 4.776292e-04 0.000485 0.000060 True native_MD 7 157 257 CB_AB42_17 O_AB42_28 1 6.265256e-04 5.917359e-07 ; 3.132311e-01 1.658402e-01 8.539899e-03 5.573150e-04 0.000485 0.001191 True native_MD 7 157 258 CB_AB42_17 N_AB42_29 1 2.134627e-03 8.475971e-06 ; 3.979342e-01 1.343986e-01 1.319055e-02 2.363357e-04 0.000485 0.000060 True native_MD 7 157 259 @@ -34938,18 +34938,18 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 CB_AB42_17 CA_AB42_42 1 3.808886e-03 1.850227e-05 ; 4.115328e-01 1.960248e-01 2.107424e-02 4.985959e-04 0.000485 0.001021 True native_MD 7 157 356 CB_AB42_17 CB_AB42_42 1 2.044442e-03 5.285469e-06 ; 3.704687e-01 1.976997e-01 2.215749e-02 9.028124e-04 0.000485 0.002332 True native_MD 7 157 357 CB_AB42_17 C_AB42_42 1 1.915258e-03 1.103825e-05 ; 4.234272e-01 8.307965e-02 1.432014e-03 1.191760e-04 0.000485 0.000060 True native_MD 7 157 358 - CB_AB42_17 O1_AB42_42 1 0.000000e+00 1.630917e-06 ; 2.934479e-01 -1.630917e-06 5.595485e-04 1.092259e-04 0.000485 0.000060 True native_MD 7 157 359 - CB_AB42_17 O2_AB42_42 1 0.000000e+00 1.630917e-06 ; 2.934479e-01 -1.630917e-06 5.595485e-04 1.092259e-04 0.000485 0.000060 True native_MD 7 157 360 - CG_AB42_17 C_AB42_17 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 158 161 - CG_AB42_17 O_AB42_17 1 0.000000e+00 4.149857e-06 ; 3.171985e-01 -4.149857e-06 9.999380e-01 9.990621e-01 0.000485 0.000060 True native_MD 4 158 162 - CG_AB42_17 N_AB42_18 1 0.000000e+00 7.574849e-06 ; 3.335105e-01 -7.574849e-06 1.000000e+00 9.999807e-01 0.000485 0.000060 True native_MD 4 158 163 - CG_AB42_17 CA_AB42_18 1 0.000000e+00 6.518083e-05 ; 3.990295e-01 -6.518083e-05 9.927094e-01 9.869905e-01 0.000485 0.000060 True native_MD 5 158 165 - CG_AB42_17 CB_AB42_18 1 0.000000e+00 4.354076e-05 ; 3.858362e-01 -4.354076e-05 6.017696e-01 2.659488e-01 0.000485 0.000060 True native_MD 6 158 166 + CB_AB42_17 O1_AB42_42 1 0.000000e+00 1.630912e-06 ; 2.934478e-01 -1.630912e-06 5.595485e-04 1.092259e-04 0.000485 0.000060 True native_MD 7 157 359 + CB_AB42_17 O2_AB42_42 1 0.000000e+00 1.630912e-06 ; 2.934478e-01 -1.630912e-06 5.595485e-04 1.092259e-04 0.000485 0.000060 True native_MD 7 157 360 + CG_AB42_17 C_AB42_17 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 158 161 + CG_AB42_17 O_AB42_17 1 0.000000e+00 4.149889e-06 ; 3.171987e-01 -4.149889e-06 9.999380e-01 9.990621e-01 0.000485 0.000060 True native_MD 4 158 162 + CG_AB42_17 N_AB42_18 1 0.000000e+00 7.574837e-06 ; 3.335104e-01 -7.574837e-06 1.000000e+00 9.999807e-01 0.000485 0.000060 True native_MD 4 158 163 + CG_AB42_17 CA_AB42_18 1 0.000000e+00 6.518131e-05 ; 3.990297e-01 -6.518131e-05 9.927094e-01 9.869905e-01 0.000485 0.000060 True native_MD 5 158 165 + CG_AB42_17 CB_AB42_18 1 0.000000e+00 4.354108e-05 ; 3.858365e-01 -4.354108e-05 6.017696e-01 2.659488e-01 0.000485 0.000060 True native_MD 6 158 166 CG_AB42_17 CG1_AB42_18 1 2.013376e-03 8.946560e-06 ; 4.054667e-01 1.132749e-01 4.863864e-02 5.306562e-02 0.000485 0.001932 True native_MD 7 158 167 CG_AB42_17 CG2_AB42_18 1 2.150093e-03 7.084751e-06 ; 3.857547e-01 1.631286e-01 4.627847e-01 1.135740e-01 0.000485 0.001932 True native_MD 7 158 168 - CG_AB42_17 C_AB42_18 1 0.000000e+00 1.310426e-05 ; 3.490969e-01 -1.310426e-05 1.203003e-01 1.243148e-01 0.000485 0.000060 True native_MD 6 158 169 + CG_AB42_17 C_AB42_18 1 0.000000e+00 1.310419e-05 ; 3.490968e-01 -1.310419e-05 1.203003e-01 1.243148e-01 0.000485 0.000060 True native_MD 6 158 169 CG_AB42_17 O_AB42_18 1 7.214994e-04 1.339493e-06 ; 3.505776e-01 9.715638e-02 8.298993e-02 9.036158e-02 0.000485 0.001191 True native_MD 7 158 170 - CG_AB42_17 N_AB42_19 1 0.000000e+00 7.695173e-06 ; 3.339488e-01 -7.695173e-06 6.011514e-02 7.598023e-02 0.000485 0.000060 True native_MD 7 158 171 + CG_AB42_17 N_AB42_19 1 0.000000e+00 7.695161e-06 ; 3.339487e-01 -7.695161e-06 6.011514e-02 7.598023e-02 0.000485 0.000060 True native_MD 7 158 171 CG_AB42_17 CA_AB42_19 1 3.198058e-03 3.370692e-05 ; 4.682439e-01 7.585665e-02 9.778323e-02 1.493043e-01 0.000485 0.000883 True native_MD 7 158 173 CG_AB42_17 CB_AB42_19 1 1.226483e-03 5.276138e-06 ; 4.032822e-01 7.127662e-02 4.213870e-02 8.535594e-02 0.000485 0.001021 True native_MD 7 158 174 CG_AB42_17 CG_AB42_19 1 3.972223e-03 3.067020e-05 ; 4.445772e-01 1.286147e-01 6.475246e-02 4.464293e-02 0.000485 0.001933 True native_MD 7 158 175 @@ -34958,10 +34958,10 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 CG_AB42_17 CE1_AB42_19 1 1.442542e-03 3.871720e-06 ; 3.727886e-01 1.343672e-01 1.434482e-01 8.325853e-02 0.000485 0.001933 True native_MD 7 158 178 CG_AB42_17 CE2_AB42_19 1 1.442542e-03 3.871720e-06 ; 3.727886e-01 1.343672e-01 1.434482e-01 8.325853e-02 0.000485 0.001933 True native_MD 7 158 179 CG_AB42_17 CZ_AB42_19 1 1.476311e-03 3.937137e-06 ; 3.723921e-01 1.383933e-01 1.612009e-01 8.294216e-02 0.000485 0.001933 True native_MD 7 158 180 - CG_AB42_17 C_AB42_19 1 0.000000e+00 1.332062e-05 ; 3.495737e-01 -1.332062e-05 1.524889e-02 3.584023e-02 0.000485 0.000060 True native_MD 7 158 181 - CG_AB42_17 O_AB42_19 1 0.000000e+00 4.294653e-06 ; 3.181064e-01 -4.294653e-06 1.524161e-02 4.922714e-02 0.000485 0.001191 True native_MD 7 158 182 - CG_AB42_17 N_AB42_20 1 0.000000e+00 7.628427e-06 ; 3.337064e-01 -7.628427e-06 9.103463e-03 1.615726e-02 0.000485 0.000060 True native_MD 7 158 183 - CG_AB42_17 CA_AB42_20 1 0.000000e+00 6.754613e-05 ; 4.002165e-01 -6.754613e-05 2.838652e-02 5.874830e-02 0.000485 0.000883 True native_MD 7 158 185 + CG_AB42_17 C_AB42_19 1 0.000000e+00 1.332055e-05 ; 3.495735e-01 -1.332055e-05 1.524889e-02 3.584023e-02 0.000485 0.000060 True native_MD 7 158 181 + CG_AB42_17 O_AB42_19 1 0.000000e+00 4.294687e-06 ; 3.181066e-01 -4.294687e-06 1.524161e-02 4.922714e-02 0.000485 0.001191 True native_MD 7 158 182 + CG_AB42_17 N_AB42_20 1 0.000000e+00 7.628415e-06 ; 3.337064e-01 -7.628415e-06 9.103463e-03 1.615726e-02 0.000485 0.000060 True native_MD 7 158 183 + CG_AB42_17 CA_AB42_20 1 0.000000e+00 6.754663e-05 ; 4.002168e-01 -6.754663e-05 2.838652e-02 5.874830e-02 0.000485 0.000883 True native_MD 7 158 185 CG_AB42_17 CB_AB42_20 1 1.346793e-03 6.159432e-06 ; 4.074178e-01 7.362086e-02 2.902480e-02 5.480934e-02 0.000485 0.001021 True native_MD 7 158 186 CG_AB42_17 CG_AB42_20 1 2.962641e-03 2.164996e-05 ; 4.405173e-01 1.013540e-01 1.928942e-02 3.006865e-02 0.000485 0.001933 True native_MD 7 158 187 CG_AB42_17 CD1_AB42_20 1 1.866848e-03 8.540545e-06 ; 4.074392e-01 1.020169e-01 2.586394e-02 3.952516e-02 0.000485 0.001933 True native_MD 7 158 188 @@ -34969,40 +34969,40 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 CG_AB42_17 CE1_AB42_20 1 1.347291e-03 4.482371e-06 ; 3.863739e-01 1.012406e-01 2.754376e-02 4.308156e-02 0.000485 0.001933 True native_MD 7 158 190 CG_AB42_17 CE2_AB42_20 1 1.347291e-03 4.482371e-06 ; 3.863739e-01 1.012406e-01 2.754376e-02 4.308156e-02 0.000485 0.001933 True native_MD 7 158 191 CG_AB42_17 CZ_AB42_20 1 1.515273e-03 5.667496e-06 ; 3.939884e-01 1.012815e-01 2.350865e-02 3.672521e-02 0.000485 0.001933 True native_MD 7 158 192 - CG_AB42_17 C_AB42_20 1 0.000000e+00 1.308267e-05 ; 3.490490e-01 -1.308267e-05 6.501589e-03 8.861870e-03 0.000485 0.000060 True native_MD 7 158 193 + CG_AB42_17 C_AB42_20 1 0.000000e+00 1.308260e-05 ; 3.490488e-01 -1.308260e-05 6.501589e-03 8.861870e-03 0.000485 0.000060 True native_MD 7 158 193 CG_AB42_17 O_AB42_20 1 6.725865e-04 1.165205e-06 ; 3.465578e-01 9.705859e-02 6.532255e-03 7.133333e-03 0.000485 0.001191 True native_MD 7 158 194 - CG_AB42_17 N_AB42_21 1 0.000000e+00 7.584952e-06 ; 3.335475e-01 -7.584952e-06 3.865070e-03 5.179569e-03 0.000485 0.000060 True native_MD 7 158 195 + CG_AB42_17 N_AB42_21 1 0.000000e+00 7.584940e-06 ; 3.335475e-01 -7.584940e-06 3.865070e-03 5.179569e-03 0.000485 0.000060 True native_MD 7 158 195 CG_AB42_17 CA_AB42_21 1 3.209703e-03 3.315904e-05 ; 4.666839e-01 7.767258e-02 1.277155e-02 1.846930e-02 0.000485 0.000883 True native_MD 7 158 197 CG_AB42_17 CB_AB42_21 1 2.017176e-03 1.004958e-05 ; 4.132701e-01 1.012232e-01 1.142876e-02 1.788392e-02 0.000485 0.001932 True native_MD 7 158 198 - CG_AB42_17 C_AB42_21 1 0.000000e+00 1.299818e-05 ; 3.488606e-01 -1.299818e-05 5.489523e-03 1.376256e-03 0.000485 0.000060 True native_MD 7 158 199 + CG_AB42_17 C_AB42_21 1 0.000000e+00 1.299811e-05 ; 3.488604e-01 -1.299811e-05 5.489523e-03 1.376256e-03 0.000485 0.000060 True native_MD 7 158 199 CG_AB42_17 O_AB42_21 1 1.514106e-03 4.323154e-06 ; 3.766524e-01 1.325721e-01 4.186407e-03 1.579478e-03 0.000485 0.001191 True native_MD 7 158 200 - CG_AB42_17 N_AB42_22 1 0.000000e+00 7.557859e-06 ; 3.334481e-01 -7.557859e-06 2.841098e-03 5.789263e-04 0.000485 0.000060 True native_MD 7 158 201 + CG_AB42_17 N_AB42_22 1 0.000000e+00 7.557847e-06 ; 3.334480e-01 -7.557847e-06 2.841098e-03 5.789263e-04 0.000485 0.000060 True native_MD 7 158 201 CG_AB42_17 CA_AB42_22 1 3.247120e-03 2.828980e-05 ; 4.536162e-01 9.317660e-02 7.993118e-03 7.268127e-03 0.000485 0.000883 True native_MD 7 158 203 CG_AB42_17 CB_AB42_22 1 2.202715e-03 1.415883e-05 ; 4.311994e-01 8.567008e-02 5.952414e-03 7.837522e-03 0.000485 0.001021 True native_MD 7 158 204 - CG_AB42_17 CG_AB42_22 1 0.000000e+00 3.201461e-05 ; 3.760746e-01 -3.201461e-05 5.365568e-03 1.168229e-02 0.000485 0.001021 True native_MD 7 158 205 - CG_AB42_17 CD_AB42_22 1 0.000000e+00 1.316624e-05 ; 3.492342e-01 -1.316624e-05 2.062723e-03 1.082584e-02 0.000485 0.000060 True native_MD 7 158 206 - CG_AB42_17 OE1_AB42_22 1 0.000000e+00 3.383318e-06 ; 3.118460e-01 -3.383318e-06 5.001724e-04 6.778313e-03 0.000485 0.000060 True native_MD 7 158 207 - CG_AB42_17 OE2_AB42_22 1 0.000000e+00 3.383318e-06 ; 3.118460e-01 -3.383318e-06 5.001724e-04 6.778313e-03 0.000485 0.000060 True native_MD 7 158 208 - CG_AB42_17 C_AB42_22 1 0.000000e+00 1.303083e-05 ; 3.489335e-01 -1.303083e-05 3.051777e-03 1.439904e-03 0.000485 0.000060 True native_MD 7 158 209 + CG_AB42_17 CG_AB42_22 1 0.000000e+00 3.201448e-05 ; 3.760745e-01 -3.201448e-05 5.365568e-03 1.168229e-02 0.000485 0.001021 True native_MD 7 158 205 + CG_AB42_17 CD_AB42_22 1 0.000000e+00 1.316617e-05 ; 3.492341e-01 -1.316617e-05 2.062723e-03 1.082584e-02 0.000485 0.000060 True native_MD 7 158 206 + CG_AB42_17 OE1_AB42_22 1 0.000000e+00 3.383345e-06 ; 3.118463e-01 -3.383345e-06 5.001724e-04 6.778313e-03 0.000485 0.000060 True native_MD 7 158 207 + CG_AB42_17 OE2_AB42_22 1 0.000000e+00 3.383345e-06 ; 3.118463e-01 -3.383345e-06 5.001724e-04 6.778313e-03 0.000485 0.000060 True native_MD 7 158 208 + CG_AB42_17 C_AB42_22 1 0.000000e+00 1.303076e-05 ; 3.489333e-01 -1.303076e-05 3.051777e-03 1.439904e-03 0.000485 0.000060 True native_MD 7 158 209 CG_AB42_17 O_AB42_22 1 6.406730e-04 1.050889e-06 ; 3.434156e-01 9.764638e-02 1.862200e-03 1.998096e-03 0.000485 0.001191 True native_MD 7 158 210 - CG_AB42_17 N_AB42_23 1 0.000000e+00 7.566002e-06 ; 3.334780e-01 -7.566002e-06 1.688791e-03 5.016768e-04 0.000485 0.000060 True native_MD 7 158 211 + CG_AB42_17 N_AB42_23 1 0.000000e+00 7.565991e-06 ; 3.334780e-01 -7.565991e-06 1.688791e-03 5.016768e-04 0.000485 0.000060 True native_MD 7 158 211 CG_AB42_17 CA_AB42_23 1 2.028564e-03 1.170248e-05 ; 4.234949e-01 8.791021e-02 4.905319e-03 5.221786e-03 0.000485 0.000883 True native_MD 7 158 213 CG_AB42_17 CB_AB42_23 1 1.267177e-03 4.628702e-06 ; 3.924373e-01 8.672725e-02 4.197487e-03 5.354702e-03 0.000485 0.001021 True native_MD 7 158 214 - CG_AB42_17 CG_AB42_23 1 0.000000e+00 1.309043e-05 ; 3.490662e-01 -1.309043e-05 2.136511e-03 5.091556e-03 0.000485 0.000060 True native_MD 7 158 215 - CG_AB42_17 OD1_AB42_23 1 0.000000e+00 3.371243e-06 ; 3.117531e-01 -3.371243e-06 6.576008e-04 3.344563e-03 0.000485 0.000060 True native_MD 7 158 216 - CG_AB42_17 OD2_AB42_23 1 0.000000e+00 3.371243e-06 ; 3.117531e-01 -3.371243e-06 6.576008e-04 3.344563e-03 0.000485 0.000060 True native_MD 7 158 217 - CG_AB42_17 C_AB42_23 1 0.000000e+00 1.303773e-05 ; 3.489489e-01 -1.303773e-05 2.198709e-03 1.115759e-03 0.000485 0.000060 True native_MD 7 158 218 + CG_AB42_17 CG_AB42_23 1 0.000000e+00 1.309037e-05 ; 3.490661e-01 -1.309037e-05 2.136511e-03 5.091556e-03 0.000485 0.000060 True native_MD 7 158 215 + CG_AB42_17 OD1_AB42_23 1 0.000000e+00 3.371271e-06 ; 3.117534e-01 -3.371271e-06 6.576008e-04 3.344563e-03 0.000485 0.000060 True native_MD 7 158 216 + CG_AB42_17 OD2_AB42_23 1 0.000000e+00 3.371271e-06 ; 3.117534e-01 -3.371271e-06 6.576008e-04 3.344563e-03 0.000485 0.000060 True native_MD 7 158 217 + CG_AB42_17 C_AB42_23 1 0.000000e+00 1.303766e-05 ; 3.489487e-01 -1.303766e-05 2.198709e-03 1.115759e-03 0.000485 0.000060 True native_MD 7 158 218 CG_AB42_17 O_AB42_23 1 1.675956e-03 6.459854e-06 ; 3.959680e-01 1.087032e-01 1.772410e-03 1.366006e-03 0.000485 0.001191 True native_MD 7 158 219 - CG_AB42_17 N_AB42_24 1 0.000000e+00 7.571097e-06 ; 3.334967e-01 -7.571097e-06 1.027388e-03 5.128542e-04 0.000485 0.000060 True native_MD 7 158 220 + CG_AB42_17 N_AB42_24 1 0.000000e+00 7.571085e-06 ; 3.334967e-01 -7.571085e-06 1.027388e-03 5.128542e-04 0.000485 0.000060 True native_MD 7 158 220 CG_AB42_17 CA_AB42_24 1 5.756909e-03 7.707131e-05 ; 4.872860e-01 1.075043e-01 6.711023e-03 3.974498e-03 0.000485 0.000883 True native_MD 7 158 222 CG_AB42_17 CB_AB42_24 1 3.459391e-03 3.007919e-05 ; 4.534657e-01 9.946567e-02 1.110692e-02 8.366870e-03 0.000485 0.000883 True native_MD 7 158 223 CG_AB42_17 CG1_AB42_24 1 1.765798e-03 6.287146e-06 ; 3.907678e-01 1.239849e-01 9.547852e-03 7.560376e-03 0.000485 0.001932 True native_MD 7 158 224 CG_AB42_17 CG2_AB42_24 1 2.000769e-03 8.012467e-06 ; 3.984999e-01 1.249016e-01 9.030416e-03 6.957152e-03 0.000485 0.001932 True native_MD 7 158 225 - CG_AB42_17 C_AB42_24 1 0.000000e+00 1.304293e-05 ; 3.489605e-01 -1.304293e-05 1.546616e-03 8.622240e-04 0.000485 0.000060 True native_MD 7 158 226 + CG_AB42_17 C_AB42_24 1 0.000000e+00 1.304286e-05 ; 3.489603e-01 -1.304286e-05 1.546616e-03 8.622240e-04 0.000485 0.000060 True native_MD 7 158 226 CG_AB42_17 O_AB42_24 1 1.590322e-03 6.158140e-06 ; 3.962726e-01 1.026740e-01 1.381639e-03 1.275388e-03 0.000485 0.001191 True native_MD 7 158 227 - CG_AB42_17 N_AB42_25 1 0.000000e+00 7.565735e-06 ; 3.334770e-01 -7.565735e-06 1.928360e-03 7.059145e-04 0.000485 0.000060 True native_MD 7 158 228 + CG_AB42_17 N_AB42_25 1 0.000000e+00 7.565723e-06 ; 3.334770e-01 -7.565723e-06 1.928360e-03 7.059145e-04 0.000485 0.000060 True native_MD 7 158 228 CG_AB42_17 CA_AB42_25 1 2.002958e-03 9.762209e-06 ; 4.117618e-01 1.027390e-01 4.627946e-03 3.656239e-03 0.000485 0.001021 True native_MD 7 158 230 - CG_AB42_17 C_AB42_25 1 0.000000e+00 1.302290e-05 ; 3.489158e-01 -1.302290e-05 3.550551e-03 1.331615e-03 0.000485 0.000060 True native_MD 7 158 231 + CG_AB42_17 C_AB42_25 1 0.000000e+00 1.302284e-05 ; 3.489157e-01 -1.302284e-05 3.550551e-03 1.331615e-03 0.000485 0.000060 True native_MD 7 158 231 CG_AB42_17 O_AB42_25 1 1.356423e-03 3.632703e-06 ; 3.726540e-01 1.266194e-01 3.181689e-03 1.434483e-03 0.000485 0.001191 True native_MD 7 158 232 CG_AB42_17 N_AB42_26 1 1.310864e-03 6.015121e-06 ; 4.076441e-01 7.141852e-02 1.955192e-03 2.306677e-04 0.000485 0.000060 True native_MD 7 158 233 CG_AB42_17 CA_AB42_26 1 7.519612e-03 7.357952e-05 ; 4.624807e-01 1.921206e-01 6.864953e-02 3.231483e-03 0.000485 0.000883 True native_MD 7 158 235 @@ -35013,9 +35013,9 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 CG_AB42_17 N_AB42_27 1 3.660827e-03 2.819558e-05 ; 4.443928e-01 1.188276e-01 2.091446e-03 3.208333e-05 0.000485 0.000060 True native_MD 7 158 240 CG_AB42_17 CA_AB42_27 1 9.060269e-03 1.305642e-04 ; 4.933031e-01 1.571803e-01 1.641988e-02 2.199084e-03 0.000485 0.000883 True native_MD 7 158 242 CG_AB42_17 CB_AB42_27 1 4.113870e-03 2.682974e-05 ; 4.322427e-01 1.576975e-01 1.365841e-02 2.083387e-03 0.000485 0.001021 True native_MD 7 158 243 - CG_AB42_17 CG_AB42_27 1 0.000000e+00 1.295784e-05 ; 3.487702e-01 -1.295784e-05 9.471493e-03 2.267347e-03 0.000485 0.000060 True native_MD 7 158 244 + CG_AB42_17 CG_AB42_27 1 0.000000e+00 1.295777e-05 ; 3.487701e-01 -1.295777e-05 9.471493e-03 2.267347e-03 0.000485 0.000060 True native_MD 7 158 244 CG_AB42_17 OD1_AB42_27 1 1.510018e-03 4.201969e-06 ; 3.750407e-01 1.356599e-01 6.045727e-03 2.079648e-03 0.000485 0.001191 True native_MD 7 158 245 - CG_AB42_17 ND2_AB42_27 1 0.000000e+00 1.297429e-05 ; 3.488071e-01 -1.297429e-05 8.807271e-03 3.326436e-03 0.000485 0.000060 True native_MD 7 158 246 + CG_AB42_17 ND2_AB42_27 1 0.000000e+00 1.297437e-05 ; 3.488073e-01 -1.297437e-05 8.807271e-03 3.326436e-03 0.000485 0.000060 True native_MD 7 158 246 CG_AB42_17 C_AB42_27 1 2.239918e-03 1.566621e-05 ; 4.373092e-01 8.006457e-02 5.324882e-03 4.849953e-04 0.000485 0.000060 True native_MD 7 158 247 CG_AB42_17 O_AB42_27 1 1.217571e-03 2.549039e-06 ; 3.576682e-01 1.453959e-01 4.631758e-03 5.973268e-04 0.000485 0.001191 True native_MD 7 158 248 CG_AB42_17 N_AB42_28 1 2.971273e-03 1.967000e-05 ; 4.333216e-01 1.122072e-01 3.208036e-03 1.116656e-04 0.000485 0.000060 True native_MD 7 158 249 @@ -35024,7 +35024,7 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 CG_AB42_17 CG_AB42_28 1 4.713937e-03 3.834043e-05 ; 4.484481e-01 1.448940e-01 1.071019e-02 2.396453e-03 0.000485 0.001021 True native_MD 7 158 253 CG_AB42_17 CD_AB42_28 1 4.577721e-03 4.185824e-05 ; 4.572867e-01 1.251578e-01 9.094206e-03 3.673180e-03 0.000485 0.001021 True native_MD 7 158 254 CG_AB42_17 CE_AB42_28 1 2.634018e-03 1.581130e-05 ; 4.263093e-01 1.097009e-01 6.711224e-03 4.304943e-03 0.000485 0.001021 True native_MD 7 158 255 - CG_AB42_17 NZ_AB42_28 1 0.000000e+00 7.584571e-06 ; 3.335461e-01 -7.584571e-06 1.141496e-03 2.405713e-03 0.000485 0.000060 True native_MD 7 158 256 + CG_AB42_17 NZ_AB42_28 1 0.000000e+00 7.584559e-06 ; 3.335461e-01 -7.584559e-06 1.141496e-03 2.405713e-03 0.000485 0.000060 True native_MD 7 158 256 CG_AB42_17 C_AB42_28 1 2.942608e-03 1.930332e-05 ; 4.326632e-01 1.121431e-01 1.696773e-02 5.917480e-04 0.000485 0.000060 True native_MD 7 158 257 CG_AB42_17 O_AB42_28 1 1.778200e-03 4.251330e-06 ; 3.656712e-01 1.859415e-01 1.558487e-02 8.466594e-04 0.000485 0.001191 True native_MD 7 158 258 CG_AB42_17 N_AB42_29 1 2.594130e-03 1.235126e-05 ; 4.101600e-01 1.362110e-01 2.264676e-02 3.843417e-04 0.000485 0.000060 True native_MD 7 158 259 @@ -35112,19 +35112,19 @@ NE2_AB42_15 O2_AB42_42 1 1.076827e-04 2.752604e-08 ; 2.519221e-01 1.053146 CG_AB42_17 N_AB42_42 1 2.352702e-03 8.999378e-06 ; 3.954646e-01 1.537663e-01 1.640902e-02 1.646771e-04 0.000485 0.000060 True native_MD 7 158 354 CG_AB42_17 CA_AB42_42 1 6.845212e-03 6.222118e-05 ; 4.568342e-01 1.882676e-01 3.879222e-02 2.049205e-03 0.000485 0.000883 True native_MD 7 158 356 CG_AB42_17 CB_AB42_42 1 3.451622e-03 1.373798e-05 ; 3.980919e-01 2.168021e-01 3.924535e-02 1.540200e-03 0.000485 0.001932 True native_MD 7 158 357 - CG_AB42_17 C_AB42_42 1 0.000000e+00 1.303078e-05 ; 3.489334e-01 -1.303078e-05 2.615972e-03 1.000280e-03 0.000485 0.000060 True native_MD 7 158 358 - CG_AB42_17 O1_AB42_42 1 0.000000e+00 3.360845e-06 ; 3.116729e-01 -3.360845e-06 8.635177e-04 4.578498e-04 0.000485 0.000060 True native_MD 7 158 359 - CG_AB42_17 O2_AB42_42 1 0.000000e+00 3.360845e-06 ; 3.116729e-01 -3.360845e-06 8.635177e-04 4.578498e-04 0.000485 0.000060 True native_MD 7 158 360 -CD1_AB42_17 C_AB42_17 1 0.000000e+00 4.500773e-06 ; 3.193515e-01 -4.500773e-06 9.769389e-01 9.292586e-01 0.000485 0.000060 True native_MD 4 159 161 + CG_AB42_17 C_AB42_42 1 0.000000e+00 1.303071e-05 ; 3.489332e-01 -1.303071e-05 2.615972e-03 1.000280e-03 0.000485 0.000060 True native_MD 7 158 358 + CG_AB42_17 O1_AB42_42 1 0.000000e+00 3.360873e-06 ; 3.116731e-01 -3.360873e-06 8.635177e-04 4.578498e-04 0.000485 0.000060 True native_MD 7 158 359 + CG_AB42_17 O2_AB42_42 1 0.000000e+00 3.360873e-06 ; 3.116731e-01 -3.360873e-06 8.635177e-04 4.578498e-04 0.000485 0.000060 True native_MD 7 158 360 +CD1_AB42_17 C_AB42_17 1 0.000000e+00 4.500714e-06 ; 3.193511e-01 -4.500714e-06 9.769389e-01 9.292586e-01 0.000485 0.000060 True native_MD 4 159 161 CD1_AB42_17 O_AB42_17 1 0.000000e+00 1.364728e-06 ; 2.891227e-01 -1.364728e-06 2.240171e-01 1.314213e-01 0.000485 0.000060 True native_MD 5 159 162 -CD1_AB42_17 N_AB42_18 1 0.000000e+00 2.268264e-06 ; 3.016265e-01 -2.268264e-06 3.478930e-01 1.748434e-01 0.000485 0.000060 True native_MD 5 159 163 -CD1_AB42_17 CA_AB42_18 1 0.000000e+00 1.926200e-05 ; 3.604847e-01 -1.926200e-05 3.281759e-01 1.396207e-01 0.000485 0.000060 True native_MD 6 159 165 +CD1_AB42_17 N_AB42_18 1 0.000000e+00 2.268242e-06 ; 3.016262e-01 -2.268242e-06 3.478930e-01 1.748434e-01 0.000485 0.000060 True native_MD 5 159 163 +CD1_AB42_17 CA_AB42_18 1 0.000000e+00 1.926199e-05 ; 3.604846e-01 -1.926199e-05 3.281759e-01 1.396207e-01 0.000485 0.000060 True native_MD 6 159 165 CD1_AB42_17 CB_AB42_18 1 6.172095e-03 5.686588e-05 ; 4.578640e-01 1.674763e-01 2.162632e-01 4.659897e-02 0.000485 0.001932 True native_MD 7 159 166 CD1_AB42_17 CG1_AB42_18 1 1.930316e-03 5.464926e-06 ; 3.761196e-01 1.704561e-01 1.596706e-02 8.654722e-03 0.000485 0.005315 True native_MD 7 159 167 CD1_AB42_17 CG2_AB42_18 1 2.371377e-03 6.484793e-06 ; 3.739521e-01 2.167928e-01 2.026311e-01 2.744799e-02 0.000485 0.005315 True native_MD 7 159 168 -CD1_AB42_17 C_AB42_18 1 0.000000e+00 4.546563e-06 ; 3.196210e-01 -4.546563e-06 6.786503e-02 2.987350e-02 0.000485 0.000060 True native_MD 7 159 169 +CD1_AB42_17 C_AB42_18 1 0.000000e+00 4.546504e-06 ; 3.196206e-01 -4.546504e-06 6.786503e-02 2.987350e-02 0.000485 0.000060 True native_MD 7 159 169 CD1_AB42_17 O_AB42_18 1 5.836109e-04 7.176876e-07 ; 3.273171e-01 1.186455e-01 5.830128e-02 3.336938e-02 0.000485 0.001191 True native_MD 7 159 170 -CD1_AB42_17 N_AB42_19 1 0.000000e+00 2.741418e-06 ; 3.064265e-01 -2.741418e-06 1.762782e-02 1.707784e-02 0.000485 0.000060 True native_MD 7 159 171 +CD1_AB42_17 N_AB42_19 1 0.000000e+00 2.741392e-06 ; 3.064262e-01 -2.741392e-06 1.762782e-02 1.707784e-02 0.000485 0.000060 True native_MD 7 159 171 CD1_AB42_17 CB_AB42_19 1 1.037217e-03 2.758632e-06 ; 3.722237e-01 9.749565e-02 1.832253e-02 3.868197e-02 0.000485 0.002332 True native_MD 7 159 174 CD1_AB42_17 CG_AB42_19 1 2.671922e-03 1.225607e-05 ; 4.076191e-01 1.456252e-01 1.494129e-02 1.702847e-02 0.000485 0.005315 True native_MD 7 159 175 CD1_AB42_17 CD1_AB42_19 1 1.370467e-03 3.033689e-06 ; 3.610082e-01 1.547770e-01 3.566983e-02 3.091334e-02 0.000485 0.005315 True native_MD 7 159 176 @@ -35132,9 +35132,9 @@ CD1_AB42_17 CD2_AB42_19 1 1.370467e-03 3.033689e-06 ; 3.610082e-01 1.547770 CD1_AB42_17 CE1_AB42_19 1 1.340413e-03 2.608894e-06 ; 3.533482e-01 1.721714e-01 8.775816e-02 4.519206e-02 0.000485 0.005315 True native_MD 7 159 178 CD1_AB42_17 CE2_AB42_19 1 1.340413e-03 2.608894e-06 ; 3.533482e-01 1.721714e-01 8.775816e-02 4.519206e-02 0.000485 0.005315 True native_MD 7 159 179 CD1_AB42_17 CZ_AB42_19 1 1.150397e-03 1.887718e-06 ; 3.434379e-01 1.752663e-01 1.057333e-01 4.963213e-02 0.000485 0.005315 True native_MD 7 159 180 -CD1_AB42_17 C_AB42_19 1 0.000000e+00 4.735878e-06 ; 3.207094e-01 -4.735878e-06 9.375026e-03 1.144055e-02 0.000485 0.000060 True native_MD 7 159 181 +CD1_AB42_17 C_AB42_19 1 0.000000e+00 4.735816e-06 ; 3.207091e-01 -4.735816e-06 9.375026e-03 1.144055e-02 0.000485 0.000060 True native_MD 7 159 181 CD1_AB42_17 O_AB42_19 1 2.276725e-04 1.744197e-07 ; 3.024922e-01 7.429602e-02 1.161902e-02 2.507468e-02 0.000485 0.001191 True native_MD 7 159 182 -CD1_AB42_17 N_AB42_20 1 0.000000e+00 2.746129e-06 ; 3.064703e-01 -2.746129e-06 3.361005e-03 4.528784e-03 0.000485 0.000060 True native_MD 7 159 183 +CD1_AB42_17 N_AB42_20 1 0.000000e+00 2.746103e-06 ; 3.064701e-01 -2.746103e-06 3.361005e-03 4.528784e-03 0.000485 0.000060 True native_MD 7 159 183 CD1_AB42_17 CA_AB42_20 1 1.765484e-03 8.281661e-06 ; 4.091435e-01 9.409146e-02 1.715051e-02 3.322227e-02 0.000485 0.001932 True native_MD 7 159 185 CD1_AB42_17 CB_AB42_20 1 1.190875e-03 3.452552e-06 ; 3.776119e-01 1.026910e-01 1.836397e-02 3.318694e-02 0.000485 0.002332 True native_MD 7 159 186 CD1_AB42_17 CG_AB42_20 1 1.581801e-03 4.783269e-06 ; 3.802730e-01 1.307733e-01 1.299671e-02 2.310180e-02 0.000485 0.005315 True native_MD 7 159 187 @@ -35143,40 +35143,40 @@ CD1_AB42_17 CD2_AB42_20 1 1.003500e-03 1.944535e-06 ; 3.530881e-01 1.294669 CD1_AB42_17 CE1_AB42_20 1 1.005485e-03 1.952220e-06 ; 3.532039e-01 1.294680e-01 1.582511e-02 2.924984e-02 0.000485 0.005315 True native_MD 7 159 190 CD1_AB42_17 CE2_AB42_20 1 1.005485e-03 1.952220e-06 ; 3.532039e-01 1.294680e-01 1.582511e-02 2.924984e-02 0.000485 0.005315 True native_MD 7 159 191 CD1_AB42_17 CZ_AB42_20 1 1.242109e-03 3.052503e-06 ; 3.673523e-01 1.263581e-01 1.447573e-02 2.936538e-02 0.000485 0.005315 True native_MD 7 159 192 -CD1_AB42_17 C_AB42_20 1 0.000000e+00 4.738567e-06 ; 3.207246e-01 -4.738567e-06 4.200480e-03 6.834953e-03 0.000485 0.000060 True native_MD 7 159 193 +CD1_AB42_17 C_AB42_20 1 0.000000e+00 4.738505e-06 ; 3.207242e-01 -4.738505e-06 4.200480e-03 6.834953e-03 0.000485 0.000060 True native_MD 7 159 193 CD1_AB42_17 O_AB42_20 1 5.185349e-04 8.027606e-07 ; 3.401220e-01 8.373555e-02 2.980067e-03 4.848524e-03 0.000485 0.001191 True native_MD 7 159 194 -CD1_AB42_17 N_AB42_21 1 0.000000e+00 2.748305e-06 ; 3.064905e-01 -2.748305e-06 2.618001e-03 4.579062e-03 0.000485 0.000060 True native_MD 7 159 195 +CD1_AB42_17 N_AB42_21 1 0.000000e+00 2.748279e-06 ; 3.064903e-01 -2.748279e-06 2.618001e-03 4.579062e-03 0.000485 0.000060 True native_MD 7 159 195 CD1_AB42_17 CA_AB42_21 1 1.401538e-03 5.374552e-06 ; 3.956303e-01 9.137086e-02 6.445198e-03 1.354401e-02 0.000485 0.001932 True native_MD 7 159 197 CD1_AB42_17 CB_AB42_21 1 8.860562e-04 1.617355e-06 ; 3.495887e-01 1.213549e-01 5.793433e-03 1.364946e-02 0.000485 0.005315 True native_MD 7 159 198 -CD1_AB42_17 C_AB42_21 1 0.000000e+00 4.725597e-06 ; 3.206513e-01 -4.725597e-06 2.383430e-03 2.273647e-03 0.000485 0.000060 True native_MD 7 159 199 +CD1_AB42_17 C_AB42_21 1 0.000000e+00 4.725535e-06 ; 3.206510e-01 -4.725535e-06 2.383430e-03 2.273647e-03 0.000485 0.000060 True native_MD 7 159 199 CD1_AB42_17 O_AB42_21 1 4.435224e-04 4.740304e-07 ; 3.197533e-01 1.037445e-01 2.084236e-03 1.863293e-03 0.000485 0.001191 True native_MD 7 159 200 -CD1_AB42_17 N_AB42_22 1 0.000000e+00 2.742006e-06 ; 3.064319e-01 -2.742006e-06 1.950725e-03 1.615286e-03 0.000485 0.000060 True native_MD 7 159 201 +CD1_AB42_17 N_AB42_22 1 0.000000e+00 2.741980e-06 ; 3.064317e-01 -2.741980e-06 1.950725e-03 1.615286e-03 0.000485 0.000060 True native_MD 7 159 201 CD1_AB42_17 CA_AB42_22 1 1.451802e-03 4.956115e-06 ; 3.880363e-01 1.063196e-01 5.630466e-03 7.564345e-03 0.000485 0.001932 True native_MD 7 159 203 CD1_AB42_17 CB_AB42_22 1 1.123603e-03 2.900356e-06 ; 3.703733e-01 1.088215e-01 5.005972e-03 7.530309e-03 0.000485 0.002332 True native_MD 7 159 204 CD1_AB42_17 CG_AB42_22 1 9.232697e-04 2.315433e-06 ; 3.685960e-01 9.203755e-02 4.086703e-03 1.015859e-02 0.000485 0.002332 True native_MD 7 159 205 -CD1_AB42_17 CD_AB42_22 1 0.000000e+00 4.766100e-06 ; 3.208795e-01 -4.766100e-06 1.918386e-03 1.037864e-02 0.000485 0.000060 True native_MD 7 159 206 +CD1_AB42_17 CD_AB42_22 1 0.000000e+00 4.766038e-06 ; 3.208791e-01 -4.766038e-06 1.918386e-03 1.037864e-02 0.000485 0.000060 True native_MD 7 159 206 CD1_AB42_17 OE1_AB42_22 1 0.000000e+00 1.223711e-06 ; 2.865068e-01 -1.223711e-06 7.975323e-04 5.927891e-03 0.000485 0.000060 True native_MD 7 159 207 CD1_AB42_17 OE2_AB42_22 1 0.000000e+00 1.223711e-06 ; 2.865068e-01 -1.223711e-06 7.975323e-04 5.927891e-03 0.000485 0.000060 True native_MD 7 159 208 -CD1_AB42_17 C_AB42_22 1 0.000000e+00 4.726984e-06 ; 3.206592e-01 -4.726984e-06 2.546908e-03 2.730725e-03 0.000485 0.000060 True native_MD 7 159 209 +CD1_AB42_17 C_AB42_22 1 0.000000e+00 4.726923e-06 ; 3.206588e-01 -4.726923e-06 2.546908e-03 2.730725e-03 0.000485 0.000060 True native_MD 7 159 209 CD1_AB42_17 O_AB42_22 1 2.235121e-04 1.415933e-07 ; 2.930602e-01 8.820632e-02 1.740914e-03 2.477740e-03 0.000485 0.001191 True native_MD 7 159 210 -CD1_AB42_17 N_AB42_23 1 0.000000e+00 2.743596e-06 ; 3.064467e-01 -2.743596e-06 1.525452e-03 1.769756e-03 0.000485 0.000060 True native_MD 7 159 211 +CD1_AB42_17 N_AB42_23 1 0.000000e+00 2.743570e-06 ; 3.064465e-01 -2.743570e-06 1.525452e-03 1.769756e-03 0.000485 0.000060 True native_MD 7 159 211 CD1_AB42_17 CA_AB42_23 1 1.369675e-03 4.463958e-06 ; 3.850500e-01 1.050642e-01 4.284904e-03 5.977015e-03 0.000485 0.001932 True native_MD 7 159 213 CD1_AB42_17 CB_AB42_23 1 1.074136e-03 2.773826e-06 ; 3.703992e-01 1.039871e-01 3.424445e-03 5.953146e-03 0.000485 0.002332 True native_MD 7 159 214 -CD1_AB42_17 CG_AB42_23 1 0.000000e+00 4.744813e-06 ; 3.207598e-01 -4.744813e-06 1.960031e-03 5.916221e-03 0.000485 0.000060 True native_MD 7 159 215 +CD1_AB42_17 CG_AB42_23 1 0.000000e+00 4.744751e-06 ; 3.207594e-01 -4.744751e-06 1.960031e-03 5.916221e-03 0.000485 0.000060 True native_MD 7 159 215 CD1_AB42_17 OD1_AB42_23 1 0.000000e+00 1.221370e-06 ; 2.864611e-01 -1.221370e-06 4.991883e-04 3.706242e-03 0.000485 0.000060 True native_MD 7 159 216 CD1_AB42_17 OD2_AB42_23 1 0.000000e+00 1.221370e-06 ; 2.864611e-01 -1.221370e-06 4.991883e-04 3.706242e-03 0.000485 0.000060 True native_MD 7 159 217 -CD1_AB42_17 C_AB42_23 1 0.000000e+00 4.724556e-06 ; 3.206454e-01 -4.724556e-06 2.183150e-03 1.853048e-03 0.000485 0.000060 True native_MD 7 159 218 +CD1_AB42_17 C_AB42_23 1 0.000000e+00 4.724494e-06 ; 3.206451e-01 -4.724494e-06 2.183150e-03 1.853048e-03 0.000485 0.000060 True native_MD 7 159 218 CD1_AB42_17 O_AB42_23 1 3.099483e-04 2.308325e-07 ; 3.010703e-01 1.040451e-01 1.690495e-03 1.497755e-03 0.000485 0.001191 True native_MD 7 159 219 -CD1_AB42_17 N_AB42_24 1 0.000000e+00 2.741217e-06 ; 3.064246e-01 -2.741217e-06 1.502537e-03 8.794319e-04 0.000485 0.000060 True native_MD 7 159 220 +CD1_AB42_17 N_AB42_24 1 0.000000e+00 2.741191e-06 ; 3.064244e-01 -2.741191e-06 1.502537e-03 8.794319e-04 0.000485 0.000060 True native_MD 7 159 220 CD1_AB42_17 CA_AB42_24 1 2.489529e-03 1.303811e-05 ; 4.167250e-01 1.188393e-01 5.020406e-03 4.637161e-03 0.000485 0.001932 True native_MD 7 159 222 CD1_AB42_17 CB_AB42_24 1 2.052646e-03 9.132130e-06 ; 4.055487e-01 1.153443e-01 7.457389e-03 7.647556e-03 0.000485 0.001932 True native_MD 7 159 223 CD1_AB42_17 CG1_AB42_24 1 1.133082e-03 2.102556e-06 ; 3.505482e-01 1.526565e-01 6.811245e-03 6.289113e-03 0.000485 0.005315 True native_MD 7 159 224 CD1_AB42_17 CG2_AB42_24 1 1.178774e-03 2.329814e-06 ; 3.542543e-01 1.491008e-01 5.920218e-03 6.080140e-03 0.000485 0.005315 True native_MD 7 159 225 -CD1_AB42_17 C_AB42_24 1 0.000000e+00 4.725935e-06 ; 3.206532e-01 -4.725935e-06 1.432951e-03 1.394673e-03 0.000485 0.000060 True native_MD 7 159 226 +CD1_AB42_17 C_AB42_24 1 0.000000e+00 4.725873e-06 ; 3.206529e-01 -4.725873e-06 1.432951e-03 1.394673e-03 0.000485 0.000060 True native_MD 7 159 226 CD1_AB42_17 O_AB42_24 1 4.553134e-04 5.927967e-07 ; 3.304450e-01 8.742893e-02 1.078396e-03 1.570942e-03 0.000485 0.001191 True native_MD 7 159 227 -CD1_AB42_17 N_AB42_25 1 0.000000e+00 2.741417e-06 ; 3.064265e-01 -2.741417e-06 1.578668e-03 1.028524e-03 0.000485 0.000060 True native_MD 7 159 228 +CD1_AB42_17 N_AB42_25 1 0.000000e+00 2.741391e-06 ; 3.064262e-01 -2.741391e-06 1.578668e-03 1.028524e-03 0.000485 0.000060 True native_MD 7 159 228 CD1_AB42_17 CA_AB42_25 1 9.650422e-04 1.907005e-06 ; 3.542427e-01 1.220902e-01 3.379263e-03 3.417418e-03 0.000485 0.002332 True native_MD 7 159 230 -CD1_AB42_17 C_AB42_25 1 0.000000e+00 4.713789e-06 ; 3.205845e-01 -4.713789e-06 4.051593e-03 1.443454e-03 0.000485 0.000060 True native_MD 7 159 231 +CD1_AB42_17 C_AB42_25 1 0.000000e+00 4.713728e-06 ; 3.205841e-01 -4.713728e-06 4.051593e-03 1.443454e-03 0.000485 0.000060 True native_MD 7 159 231 CD1_AB42_17 O_AB42_25 1 7.681359e-04 1.050545e-06 ; 3.331676e-01 1.404111e-01 4.913744e-03 1.466233e-03 0.000485 0.001191 True native_MD 7 159 232 CD1_AB42_17 N_AB42_26 1 5.239766e-04 9.087582e-07 ; 3.466220e-01 7.552929e-02 3.990922e-03 4.163363e-04 0.000485 0.000060 True native_MD 7 159 233 CD1_AB42_17 CA_AB42_26 1 1.959810e-03 4.758597e-06 ; 3.666155e-01 2.017850e-01 4.475937e-02 3.454453e-03 0.000485 0.001932 True native_MD 7 159 235 @@ -35187,10 +35187,10 @@ CD1_AB42_17 O_AB42_26 1 6.583205e-04 5.059183e-07 ; 3.026499e-01 2.141580 CD1_AB42_17 N_AB42_27 1 1.003857e-03 2.524590e-06 ; 3.687679e-01 9.979143e-02 3.007149e-03 1.517746e-04 0.000485 0.000060 True native_MD 7 159 240 CD1_AB42_17 CA_AB42_27 1 3.815991e-03 1.998297e-05 ; 4.167179e-01 1.821774e-01 1.494307e-02 2.073807e-03 0.000485 0.001932 True native_MD 7 159 242 CD1_AB42_17 CB_AB42_27 1 1.450958e-03 2.979459e-06 ; 3.565172e-01 1.766493e-01 1.180146e-02 2.307858e-03 0.000485 0.002332 True native_MD 7 159 243 -CD1_AB42_17 CG_AB42_27 1 0.000000e+00 4.692067e-06 ; 3.204611e-01 -4.692067e-06 9.550861e-03 2.346581e-03 0.000485 0.000060 True native_MD 7 159 244 +CD1_AB42_17 CG_AB42_27 1 0.000000e+00 4.692006e-06 ; 3.204608e-01 -4.692006e-06 9.550861e-03 2.346581e-03 0.000485 0.000060 True native_MD 7 159 244 CD1_AB42_17 OD1_AB42_27 1 4.370313e-04 3.712233e-07 ; 3.077423e-01 1.286263e-01 5.401350e-03 2.293274e-03 0.000485 0.001191 True native_MD 7 159 245 -CD1_AB42_17 ND2_AB42_27 1 0.000000e+00 4.702116e-06 ; 3.205183e-01 -4.702116e-06 7.647315e-03 3.032036e-03 0.000485 0.000060 True native_MD 7 159 246 -CD1_AB42_17 C_AB42_27 1 0.000000e+00 4.702572e-06 ; 3.205208e-01 -4.702572e-06 5.752507e-03 7.708020e-04 0.000485 0.000060 True native_MD 7 159 247 +CD1_AB42_17 ND2_AB42_27 1 0.000000e+00 4.702107e-06 ; 3.205182e-01 -4.702107e-06 7.647315e-03 3.032036e-03 0.000485 0.000060 True native_MD 7 159 246 +CD1_AB42_17 C_AB42_27 1 0.000000e+00 4.702510e-06 ; 3.205205e-01 -4.702510e-06 5.752507e-03 7.708020e-04 0.000485 0.000060 True native_MD 7 159 247 CD1_AB42_17 O_AB42_27 1 3.489798e-04 2.148084e-07 ; 2.916589e-01 1.417390e-01 4.151621e-03 8.881438e-04 0.000485 0.001191 True native_MD 7 159 248 CD1_AB42_17 N_AB42_28 1 5.631021e-04 9.932541e-07 ; 3.475993e-01 7.980938e-02 4.827822e-03 4.430935e-04 0.000485 0.000060 True native_MD 7 159 249 CD1_AB42_17 CA_AB42_28 1 1.993182e-03 5.421426e-06 ; 3.736180e-01 1.831979e-01 1.435638e-02 1.896775e-03 0.000485 0.001932 True native_MD 7 159 251 @@ -35198,7 +35198,7 @@ CD1_AB42_17 CB_AB42_28 1 1.553988e-03 3.605594e-06 ; 3.638493e-01 1.674398 CD1_AB42_17 CG_AB42_28 1 1.576383e-03 4.011029e-06 ; 3.694869e-01 1.548844e-01 6.883993e-03 2.609166e-03 0.000485 0.002332 True native_MD 7 159 253 CD1_AB42_17 CD_AB42_28 1 1.693995e-03 5.021843e-06 ; 3.790168e-01 1.428569e-01 6.359839e-03 3.454810e-03 0.000485 0.002332 True native_MD 7 159 254 CD1_AB42_17 CE_AB42_28 1 1.558999e-03 4.629017e-06 ; 3.791175e-01 1.312632e-01 4.779984e-03 3.673539e-03 0.000485 0.002332 True native_MD 7 159 255 -CD1_AB42_17 NZ_AB42_28 1 0.000000e+00 2.746316e-06 ; 3.064721e-01 -2.746316e-06 1.302655e-03 2.538484e-03 0.000485 0.000060 True native_MD 7 159 256 +CD1_AB42_17 NZ_AB42_28 1 0.000000e+00 2.746290e-06 ; 3.064718e-01 -2.746290e-06 1.302655e-03 2.538484e-03 0.000485 0.000060 True native_MD 7 159 256 CD1_AB42_17 C_AB42_28 1 1.116606e-03 3.394768e-06 ; 3.806142e-01 9.181850e-02 1.264708e-02 8.103188e-04 0.000485 0.000060 True native_MD 7 159 257 CD1_AB42_17 O_AB42_28 1 6.168513e-04 5.416382e-07 ; 3.094483e-01 1.756272e-01 1.144593e-02 9.045500e-04 0.000485 0.001191 True native_MD 7 159 258 CD1_AB42_17 N_AB42_29 1 1.096377e-03 2.506506e-06 ; 3.629539e-01 1.198922e-01 2.117454e-02 5.856190e-04 0.000485 0.000060 True native_MD 7 159 259 @@ -35286,19 +35286,19 @@ CD1_AB42_17 O_AB42_41 1 6.127140e-04 4.920818e-07 ; 3.048807e-01 1.907297 CD1_AB42_17 N_AB42_42 1 8.577564e-04 1.237282e-06 ; 3.361379e-01 1.486618e-01 2.141150e-02 2.503454e-04 0.000485 0.000060 True native_MD 7 159 354 CD1_AB42_17 CA_AB42_42 1 2.334409e-03 6.381968e-06 ; 3.739351e-01 2.134712e-01 3.552200e-02 1.485495e-03 0.000485 0.001932 True native_MD 7 159 356 CD1_AB42_17 CB_AB42_42 1 1.417166e-03 2.362300e-06 ; 3.443386e-01 2.125429e-01 3.454877e-02 1.345027e-03 0.000485 0.005315 True native_MD 7 159 357 -CD1_AB42_17 C_AB42_42 1 0.000000e+00 4.702250e-06 ; 3.205190e-01 -4.702250e-06 5.970030e-03 9.203519e-04 0.000485 0.000060 True native_MD 7 159 358 -CD1_AB42_17 O1_AB42_42 1 0.000000e+00 1.216315e-06 ; 2.863621e-01 -1.216315e-06 1.629464e-03 6.851034e-04 0.000485 0.000060 True native_MD 7 159 359 -CD1_AB42_17 O2_AB42_42 1 0.000000e+00 1.216315e-06 ; 2.863621e-01 -1.216315e-06 1.629464e-03 6.851034e-04 0.000485 0.000060 True native_MD 7 159 360 -CD2_AB42_17 C_AB42_17 1 0.000000e+00 4.715186e-06 ; 3.205924e-01 -4.715186e-06 9.996885e-01 9.973759e-01 0.000485 0.000060 True native_MD 4 160 161 +CD1_AB42_17 C_AB42_42 1 0.000000e+00 4.702189e-06 ; 3.205187e-01 -4.702189e-06 5.970030e-03 9.203519e-04 0.000485 0.000060 True native_MD 7 159 358 +CD1_AB42_17 O1_AB42_42 1 0.000000e+00 1.216316e-06 ; 2.863621e-01 -1.216316e-06 1.629464e-03 6.851034e-04 0.000485 0.000060 True native_MD 7 159 359 +CD1_AB42_17 O2_AB42_42 1 0.000000e+00 1.216316e-06 ; 2.863621e-01 -1.216316e-06 1.629464e-03 6.851034e-04 0.000485 0.000060 True native_MD 7 159 360 +CD2_AB42_17 C_AB42_17 1 0.000000e+00 4.715124e-06 ; 3.205921e-01 -4.715124e-06 9.996885e-01 9.973759e-01 0.000485 0.000060 True native_MD 4 160 161 CD2_AB42_17 O_AB42_17 1 0.000000e+00 1.559755e-06 ; 2.923589e-01 -1.559755e-06 2.131815e-01 2.502586e-01 0.000485 0.000060 True native_MD 5 160 162 -CD2_AB42_17 N_AB42_18 1 0.000000e+00 2.747197e-06 ; 3.064802e-01 -2.747197e-06 4.189670e-01 4.205242e-01 0.000485 0.000060 True native_MD 5 160 163 -CD2_AB42_17 CA_AB42_18 1 0.000000e+00 2.449158e-05 ; 3.677729e-01 -2.449158e-05 1.726994e-01 2.044491e-01 0.000485 0.000060 True native_MD 6 160 165 +CD2_AB42_17 N_AB42_18 1 0.000000e+00 2.747171e-06 ; 3.064800e-01 -2.747171e-06 4.189670e-01 4.205242e-01 0.000485 0.000060 True native_MD 5 160 163 +CD2_AB42_17 CA_AB42_18 1 0.000000e+00 2.449157e-05 ; 3.677729e-01 -2.449157e-05 1.726994e-01 2.044491e-01 0.000485 0.000060 True native_MD 6 160 165 CD2_AB42_17 CB_AB42_18 1 7.177456e-03 8.432085e-05 ; 4.767903e-01 1.527377e-01 1.245708e-01 4.172181e-02 0.000485 0.001932 True native_MD 7 160 166 CD2_AB42_17 CG1_AB42_18 1 3.111450e-03 1.624116e-05 ; 4.164943e-01 1.490214e-01 1.583786e-02 1.630434e-02 0.000485 0.005315 True native_MD 7 160 167 CD2_AB42_17 CG2_AB42_18 1 3.410399e-03 1.414712e-05 ; 4.008456e-01 2.055334e-01 1.814415e-01 3.442519e-02 0.000485 0.005315 True native_MD 7 160 168 -CD2_AB42_17 C_AB42_18 1 0.000000e+00 4.724319e-06 ; 3.206441e-01 -4.724319e-06 1.548351e-02 1.510334e-02 0.000485 0.000060 True native_MD 7 160 169 +CD2_AB42_17 C_AB42_18 1 0.000000e+00 4.724257e-06 ; 3.206438e-01 -4.724257e-06 1.548351e-02 1.510334e-02 0.000485 0.000060 True native_MD 7 160 169 CD2_AB42_17 O_AB42_18 1 4.320434e-04 5.417791e-07 ; 3.283844e-01 8.613357e-02 1.619093e-02 2.451823e-02 0.000485 0.001191 True native_MD 7 160 170 -CD2_AB42_17 N_AB42_19 1 0.000000e+00 2.763463e-06 ; 3.066311e-01 -2.763463e-06 1.024500e-02 1.773207e-02 0.000485 0.000060 True native_MD 7 160 171 +CD2_AB42_17 N_AB42_19 1 0.000000e+00 2.763437e-06 ; 3.066308e-01 -2.763437e-06 1.024500e-02 1.773207e-02 0.000485 0.000060 True native_MD 7 160 171 CD2_AB42_17 CA_AB42_19 1 2.805277e-03 1.931256e-05 ; 4.361582e-01 1.018712e-01 2.979517e-02 4.572849e-02 0.000485 0.001932 True native_MD 7 160 173 CD2_AB42_17 CB_AB42_19 1 1.136080e-03 3.302280e-06 ; 3.777758e-01 9.771118e-02 1.931841e-02 4.052224e-02 0.000485 0.002332 True native_MD 7 160 174 CD2_AB42_17 CG_AB42_19 1 2.069903e-03 7.096497e-06 ; 3.883134e-01 1.509371e-01 2.251789e-02 2.189159e-02 0.000485 0.005315 True native_MD 7 160 175 @@ -35307,9 +35307,9 @@ CD2_AB42_17 CD2_AB42_19 1 1.353635e-03 2.948830e-06 ; 3.600460e-01 1.553437 CD2_AB42_17 CE1_AB42_19 1 9.850276e-04 1.450609e-06 ; 3.373005e-01 1.672194e-01 8.267474e-02 4.937508e-02 0.000485 0.005315 True native_MD 7 160 178 CD2_AB42_17 CE2_AB42_19 1 9.850276e-04 1.450609e-06 ; 3.373005e-01 1.672194e-01 8.267474e-02 4.937508e-02 0.000485 0.005315 True native_MD 7 160 179 CD2_AB42_17 CZ_AB42_19 1 8.979006e-04 1.169251e-06 ; 3.304557e-01 1.723807e-01 9.755272e-02 4.992224e-02 0.000485 0.005315 True native_MD 7 160 180 -CD2_AB42_17 C_AB42_19 1 0.000000e+00 4.757681e-06 ; 3.208322e-01 -4.757681e-06 6.823176e-03 1.350200e-02 0.000485 0.000060 True native_MD 7 160 181 +CD2_AB42_17 C_AB42_19 1 0.000000e+00 4.757618e-06 ; 3.208318e-01 -4.757618e-06 6.823176e-03 1.350200e-02 0.000485 0.000060 True native_MD 7 160 181 CD2_AB42_17 O_AB42_19 1 0.000000e+00 1.525972e-06 ; 2.918259e-01 -1.525972e-06 8.557613e-03 2.317216e-02 0.000485 0.001191 True native_MD 7 160 182 -CD2_AB42_17 N_AB42_20 1 0.000000e+00 2.749128e-06 ; 3.064982e-01 -2.749128e-06 3.256532e-03 5.517602e-03 0.000485 0.000060 True native_MD 7 160 183 +CD2_AB42_17 N_AB42_20 1 0.000000e+00 2.749102e-06 ; 3.064979e-01 -2.749102e-06 3.256532e-03 5.517602e-03 0.000485 0.000060 True native_MD 7 160 183 CD2_AB42_17 CA_AB42_20 1 1.643863e-03 7.343600e-06 ; 4.058266e-01 9.199461e-02 1.356714e-02 2.798289e-02 0.000485 0.001932 True native_MD 7 160 185 CD2_AB42_17 CB_AB42_20 1 1.079857e-03 2.938793e-06 ; 3.736518e-01 9.919815e-02 1.612267e-02 3.234695e-02 0.000485 0.002332 True native_MD 7 160 186 CD2_AB42_17 CG_AB42_20 1 1.408230e-03 3.747926e-06 ; 3.722656e-01 1.322806e-01 1.204036e-02 2.045792e-02 0.000485 0.005315 True native_MD 7 160 187 @@ -35318,40 +35318,40 @@ CD2_AB42_17 CD2_AB42_20 1 9.363761e-04 1.631883e-06 ; 3.469017e-01 1.343234 CD2_AB42_17 CE1_AB42_20 1 8.259651e-04 1.253254e-06 ; 3.389843e-01 1.360894e-01 1.784465e-02 2.705384e-02 0.000485 0.005315 True native_MD 7 160 190 CD2_AB42_17 CE2_AB42_20 1 8.259651e-04 1.253254e-06 ; 3.389843e-01 1.360894e-01 1.784465e-02 2.705384e-02 0.000485 0.005315 True native_MD 7 160 191 CD2_AB42_17 CZ_AB42_20 1 1.298862e-03 3.006303e-06 ; 3.637014e-01 1.402921e-01 1.832472e-02 2.449833e-02 0.000485 0.005315 True native_MD 7 160 192 -CD2_AB42_17 C_AB42_20 1 0.000000e+00 4.730574e-06 ; 3.206795e-01 -4.730574e-06 5.011240e-03 5.954513e-03 0.000485 0.000060 True native_MD 7 160 193 +CD2_AB42_17 C_AB42_20 1 0.000000e+00 4.730512e-06 ; 3.206791e-01 -4.730512e-06 5.011240e-03 5.954513e-03 0.000485 0.000060 True native_MD 7 160 193 CD2_AB42_17 O_AB42_20 1 3.177347e-04 2.546153e-07 ; 3.047684e-01 9.912536e-02 4.592751e-03 4.714549e-03 0.000485 0.001191 True native_MD 7 160 194 -CD2_AB42_17 N_AB42_21 1 0.000000e+00 2.745857e-06 ; 3.064678e-01 -2.745857e-06 2.808938e-03 3.877430e-03 0.000485 0.000060 True native_MD 7 160 195 +CD2_AB42_17 N_AB42_21 1 0.000000e+00 2.745831e-06 ; 3.064675e-01 -2.745831e-06 2.808938e-03 3.877430e-03 0.000485 0.000060 True native_MD 7 160 195 CD2_AB42_17 CA_AB42_21 1 1.626529e-03 6.056270e-06 ; 3.936926e-01 1.092090e-01 8.687543e-03 1.070464e-02 0.000485 0.001932 True native_MD 7 160 197 CD2_AB42_17 CB_AB42_21 1 1.679199e-03 5.107128e-06 ; 3.806383e-01 1.380281e-01 8.067885e-03 1.154099e-02 0.000485 0.005315 True native_MD 7 160 198 -CD2_AB42_17 C_AB42_21 1 0.000000e+00 4.710899e-06 ; 3.205681e-01 -4.710899e-06 4.874221e-03 1.654535e-03 0.000485 0.000060 True native_MD 7 160 199 +CD2_AB42_17 C_AB42_21 1 0.000000e+00 4.710838e-06 ; 3.205678e-01 -4.710838e-06 4.874221e-03 1.654535e-03 0.000485 0.000060 True native_MD 7 160 199 CD2_AB42_17 O_AB42_21 1 5.004245e-04 4.710744e-07 ; 3.130582e-01 1.329008e-01 3.918695e-03 1.463997e-03 0.000485 0.001191 True native_MD 7 160 200 -CD2_AB42_17 N_AB42_22 1 0.000000e+00 2.735422e-06 ; 3.063706e-01 -2.735422e-06 3.794120e-03 1.058461e-03 0.000485 0.000060 True native_MD 7 160 201 +CD2_AB42_17 N_AB42_22 1 0.000000e+00 2.735397e-06 ; 3.063703e-01 -2.735397e-06 3.794120e-03 1.058461e-03 0.000485 0.000060 True native_MD 7 160 201 CD2_AB42_17 CA_AB42_22 1 7.809293e-04 1.323026e-06 ; 3.452705e-01 1.152378e-01 5.786093e-03 5.952579e-03 0.000485 0.001932 True native_MD 7 160 203 CD2_AB42_17 CB_AB42_22 1 8.673563e-04 1.668673e-06 ; 3.526649e-01 1.127104e-01 4.903751e-03 6.566151e-03 0.000485 0.002332 True native_MD 7 160 204 CD2_AB42_17 CG_AB42_22 1 1.051577e-03 2.844717e-06 ; 3.732785e-01 9.718132e-02 4.552974e-03 9.702947e-03 0.000485 0.002332 True native_MD 7 160 205 -CD2_AB42_17 CD_AB42_22 1 0.000000e+00 4.761850e-06 ; 3.208556e-01 -4.761850e-06 1.687455e-03 9.248494e-03 0.000485 0.000060 True native_MD 7 160 206 -CD2_AB42_17 OE1_AB42_22 1 0.000000e+00 1.224417e-06 ; 2.865206e-01 -1.224417e-06 4.997191e-04 6.210066e-03 0.000485 0.000060 True native_MD 7 160 207 -CD2_AB42_17 OE2_AB42_22 1 0.000000e+00 1.224417e-06 ; 2.865206e-01 -1.224417e-06 4.997191e-04 6.210066e-03 0.000485 0.000060 True native_MD 7 160 208 -CD2_AB42_17 C_AB42_22 1 0.000000e+00 4.720450e-06 ; 3.206222e-01 -4.720450e-06 2.653697e-03 1.454853e-03 0.000485 0.000060 True native_MD 7 160 209 +CD2_AB42_17 CD_AB42_22 1 0.000000e+00 4.761788e-06 ; 3.208553e-01 -4.761788e-06 1.687455e-03 9.248494e-03 0.000485 0.000060 True native_MD 7 160 206 +CD2_AB42_17 OE1_AB42_22 1 0.000000e+00 1.224418e-06 ; 2.865206e-01 -1.224418e-06 4.997191e-04 6.210066e-03 0.000485 0.000060 True native_MD 7 160 207 +CD2_AB42_17 OE2_AB42_22 1 0.000000e+00 1.224418e-06 ; 2.865206e-01 -1.224418e-06 4.997191e-04 6.210066e-03 0.000485 0.000060 True native_MD 7 160 208 +CD2_AB42_17 C_AB42_22 1 0.000000e+00 4.720388e-06 ; 3.206219e-01 -4.720388e-06 2.653697e-03 1.454853e-03 0.000485 0.000060 True native_MD 7 160 209 CD2_AB42_17 O_AB42_22 1 5.111251e-04 6.418030e-07 ; 3.284574e-01 1.017636e-01 1.799269e-03 1.706768e-03 0.000485 0.001191 True native_MD 7 160 210 -CD2_AB42_17 N_AB42_23 1 0.000000e+00 2.741236e-06 ; 3.064248e-01 -2.741236e-06 1.409130e-03 7.930717e-04 0.000485 0.000060 True native_MD 7 160 211 +CD2_AB42_17 N_AB42_23 1 0.000000e+00 2.741210e-06 ; 3.064245e-01 -2.741210e-06 1.409130e-03 7.930717e-04 0.000485 0.000060 True native_MD 7 160 211 CD2_AB42_17 CA_AB42_23 1 1.284925e-03 3.770958e-06 ; 3.783807e-01 1.094570e-01 3.520079e-03 4.305299e-03 0.000485 0.001932 True native_MD 7 160 213 CD2_AB42_17 CB_AB42_23 1 9.025796e-04 1.840871e-06 ; 3.561145e-01 1.106338e-01 3.228201e-03 4.599729e-03 0.000485 0.002332 True native_MD 7 160 214 -CD2_AB42_17 CG_AB42_23 1 0.000000e+00 4.740987e-06 ; 3.207382e-01 -4.740987e-06 1.755079e-03 4.901796e-03 0.000485 0.000060 True native_MD 7 160 215 -CD2_AB42_17 OD1_AB42_23 1 0.000000e+00 1.220699e-06 ; 2.864480e-01 -1.220699e-06 5.636494e-04 3.220284e-03 0.000485 0.000060 True native_MD 7 160 216 -CD2_AB42_17 OD2_AB42_23 1 0.000000e+00 1.220699e-06 ; 2.864480e-01 -1.220699e-06 5.636494e-04 3.220284e-03 0.000485 0.000060 True native_MD 7 160 217 -CD2_AB42_17 C_AB42_23 1 0.000000e+00 4.728967e-06 ; 3.206704e-01 -4.728967e-06 1.163592e-03 1.766964e-03 0.000485 0.000060 True native_MD 7 160 218 +CD2_AB42_17 CG_AB42_23 1 0.000000e+00 4.740925e-06 ; 3.207379e-01 -4.740925e-06 1.755079e-03 4.901796e-03 0.000485 0.000060 True native_MD 7 160 215 +CD2_AB42_17 OD1_AB42_23 1 0.000000e+00 1.220700e-06 ; 2.864480e-01 -1.220700e-06 5.636494e-04 3.220284e-03 0.000485 0.000060 True native_MD 7 160 216 +CD2_AB42_17 OD2_AB42_23 1 0.000000e+00 1.220700e-06 ; 2.864480e-01 -1.220700e-06 5.636494e-04 3.220284e-03 0.000485 0.000060 True native_MD 7 160 217 +CD2_AB42_17 C_AB42_23 1 0.000000e+00 4.728905e-06 ; 3.206700e-01 -4.728905e-06 1.163592e-03 1.766964e-03 0.000485 0.000060 True native_MD 7 160 218 CD2_AB42_17 O_AB42_23 1 2.543017e-04 1.975106e-07 ; 3.031844e-01 8.185552e-02 9.923321e-04 1.707948e-03 0.000485 0.001191 True native_MD 7 160 219 -CD2_AB42_17 N_AB42_24 1 0.000000e+00 2.742872e-06 ; 3.064400e-01 -2.742872e-06 8.183263e-04 7.985154e-04 0.000485 0.000060 True native_MD 7 160 220 +CD2_AB42_17 N_AB42_24 1 0.000000e+00 2.742846e-06 ; 3.064398e-01 -2.742846e-06 8.183263e-04 7.985154e-04 0.000485 0.000060 True native_MD 7 160 220 CD2_AB42_17 CA_AB42_24 1 1.680570e-03 5.821361e-06 ; 3.889806e-01 1.212911e-01 4.814650e-03 4.132500e-03 0.000485 0.001932 True native_MD 7 160 222 CD2_AB42_17 CB_AB42_24 1 2.024634e-03 8.368344e-06 ; 4.006042e-01 1.224598e-01 8.569884e-03 7.102854e-03 0.000485 0.001932 True native_MD 7 160 223 CD2_AB42_17 CG1_AB42_24 1 1.082260e-03 1.834127e-06 ; 3.452892e-01 1.596518e-01 7.789932e-03 5.834197e-03 0.000485 0.005315 True native_MD 7 160 224 CD2_AB42_17 CG2_AB42_24 1 1.127926e-03 2.062693e-06 ; 3.496973e-01 1.541937e-01 6.342394e-03 5.592910e-03 0.000485 0.005315 True native_MD 7 160 225 -CD2_AB42_17 C_AB42_24 1 0.000000e+00 4.724655e-06 ; 3.206460e-01 -4.724655e-06 1.566368e-03 1.257248e-03 0.000485 0.000060 True native_MD 7 160 226 +CD2_AB42_17 C_AB42_24 1 0.000000e+00 4.724593e-06 ; 3.206457e-01 -4.724593e-06 1.566368e-03 1.257248e-03 0.000485 0.000060 True native_MD 7 160 226 CD2_AB42_17 O_AB42_24 1 4.581986e-04 5.097548e-07 ; 3.218977e-01 1.029642e-01 1.329181e-03 1.216353e-03 0.000485 0.001191 True native_MD 7 160 227 -CD2_AB42_17 N_AB42_25 1 0.000000e+00 2.741432e-06 ; 3.064266e-01 -2.741432e-06 1.461729e-03 9.168605e-04 0.000485 0.000060 True native_MD 7 160 228 +CD2_AB42_17 N_AB42_25 1 0.000000e+00 2.741406e-06 ; 3.064264e-01 -2.741406e-06 1.461729e-03 9.168605e-04 0.000485 0.000060 True native_MD 7 160 228 CD2_AB42_17 CA_AB42_25 1 1.095730e-03 2.466903e-06 ; 3.620274e-01 1.216732e-01 3.234758e-03 3.312355e-03 0.000485 0.002332 True native_MD 7 160 230 -CD2_AB42_17 C_AB42_25 1 0.000000e+00 4.710391e-06 ; 3.205652e-01 -4.710391e-06 4.751458e-03 1.424279e-03 0.000485 0.000060 True native_MD 7 160 231 +CD2_AB42_17 C_AB42_25 1 0.000000e+00 4.710329e-06 ; 3.205649e-01 -4.710329e-06 4.751458e-03 1.424279e-03 0.000485 0.000060 True native_MD 7 160 231 CD2_AB42_17 O_AB42_25 1 1.127236e-03 2.149878e-06 ; 3.521544e-01 1.477596e-01 5.283700e-03 1.265383e-03 0.000485 0.001191 True native_MD 7 160 232 CD2_AB42_17 N_AB42_26 1 6.569078e-04 1.257777e-06 ; 3.523843e-01 8.577192e-02 5.308152e-03 4.075626e-04 0.000485 0.000060 True native_MD 7 160 233 CD2_AB42_17 CA_AB42_26 1 1.732978e-03 3.782502e-06 ; 3.601618e-01 1.984937e-01 3.794411e-02 3.231583e-03 0.000485 0.001932 True native_MD 7 160 235 @@ -35362,9 +35362,9 @@ CD2_AB42_17 O_AB42_26 1 8.876731e-04 9.539144e-07 ; 3.200438e-01 2.065079 CD2_AB42_17 N_AB42_27 1 7.263152e-04 1.850910e-06 ; 3.695813e-01 7.125332e-02 3.093944e-03 3.668232e-04 0.000485 0.000060 True native_MD 7 160 240 CD2_AB42_17 CA_AB42_27 1 2.236767e-03 7.240684e-06 ; 3.846152e-01 1.727436e-01 1.049963e-02 1.827526e-03 0.000485 0.001932 True native_MD 7 160 242 CD2_AB42_17 CB_AB42_27 1 1.470514e-03 3.151859e-06 ; 3.590732e-01 1.715187e-01 1.012172e-02 2.223929e-03 0.000485 0.002332 True native_MD 7 160 243 -CD2_AB42_17 CG_AB42_27 1 0.000000e+00 4.704626e-06 ; 3.205325e-01 -4.704626e-06 6.879910e-03 2.332807e-03 0.000485 0.000060 True native_MD 7 160 244 +CD2_AB42_17 CG_AB42_27 1 0.000000e+00 4.704564e-06 ; 3.205322e-01 -4.704564e-06 6.879910e-03 2.332807e-03 0.000485 0.000060 True native_MD 7 160 244 CD2_AB42_17 OD1_AB42_27 1 6.234656e-04 7.911833e-07 ; 3.290365e-01 1.228253e-01 4.186752e-03 2.114579e-03 0.000485 0.001191 True native_MD 7 160 245 -CD2_AB42_17 ND2_AB42_27 1 0.000000e+00 4.708740e-06 ; 3.205559e-01 -4.708740e-06 6.088586e-03 2.875446e-03 0.000485 0.000060 True native_MD 7 160 246 +CD2_AB42_17 ND2_AB42_27 1 0.000000e+00 4.708731e-06 ; 3.205558e-01 -4.708731e-06 6.088586e-03 2.875446e-03 0.000485 0.000060 True native_MD 7 160 246 CD2_AB42_17 C_AB42_27 1 8.060763e-04 2.190603e-06 ; 3.735636e-01 7.415298e-02 5.791768e-03 6.296071e-04 0.000485 0.000060 True native_MD 7 160 247 CD2_AB42_17 O_AB42_27 1 5.876888e-04 6.090797e-07 ; 3.181177e-01 1.417623e-01 4.154521e-03 6.735262e-04 0.000485 0.001191 True native_MD 7 160 248 CD2_AB42_17 N_AB42_28 1 9.909257e-04 2.488205e-06 ; 3.686726e-01 9.865882e-02 4.302531e-03 2.246406e-04 0.000485 0.000060 True native_MD 7 160 249 @@ -35373,7 +35373,7 @@ CD2_AB42_17 CB_AB42_28 1 1.546433e-03 3.388083e-06 ; 3.603881e-01 1.764608 CD2_AB42_17 CG_AB42_28 1 1.550702e-03 3.471624e-06 ; 3.616880e-01 1.731666e-01 1.063341e-02 2.221846e-03 0.000485 0.002332 True native_MD 7 160 253 CD2_AB42_17 CD_AB42_28 1 1.617360e-03 4.122503e-06 ; 3.695947e-01 1.586326e-01 1.012319e-02 3.429762e-03 0.000485 0.002332 True native_MD 7 160 254 CD2_AB42_17 CE_AB42_28 1 1.399367e-03 3.352368e-06 ; 3.657941e-01 1.460331e-01 7.636184e-03 3.772024e-03 0.000485 0.002332 True native_MD 7 160 255 -CD2_AB42_17 NZ_AB42_28 1 0.000000e+00 2.744703e-06 ; 3.064570e-01 -2.744703e-06 1.824333e-03 2.472141e-03 0.000485 0.000060 True native_MD 7 160 256 +CD2_AB42_17 NZ_AB42_28 1 0.000000e+00 2.744677e-06 ; 3.064568e-01 -2.744677e-06 1.824333e-03 2.472141e-03 0.000485 0.000060 True native_MD 7 160 256 CD2_AB42_17 C_AB42_28 1 1.068637e-03 2.537103e-06 ; 3.652453e-01 1.125285e-01 1.259282e-02 4.341385e-04 0.000485 0.000060 True native_MD 7 160 257 CD2_AB42_17 O_AB42_28 1 6.968767e-04 7.086601e-07 ; 3.171127e-01 1.713223e-01 1.006242e-02 6.766074e-04 0.000485 0.001191 True native_MD 7 160 258 CD2_AB42_17 N_AB42_29 1 8.841970e-04 1.651384e-06 ; 3.509268e-01 1.183559e-01 1.744390e-02 5.051396e-04 0.000485 0.000060 True native_MD 7 160 259 @@ -35461,27 +35461,27 @@ CD2_AB42_17 O_AB42_41 1 5.222420e-04 3.993474e-07 ; 3.023986e-01 1.707390 CD2_AB42_17 N_AB42_42 1 7.717579e-04 1.298063e-06 ; 3.448544e-01 1.147113e-01 9.946721e-03 3.212293e-04 0.000485 0.000060 True native_MD 7 160 354 CD2_AB42_17 CA_AB42_42 1 3.121884e-03 1.177471e-05 ; 3.945381e-01 2.069300e-01 3.013012e-02 1.993558e-03 0.000485 0.001932 True native_MD 7 160 356 CD2_AB42_17 CB_AB42_42 1 1.549001e-03 2.866369e-06 ; 3.503860e-01 2.092720e-01 3.132719e-02 1.520553e-03 0.000485 0.005315 True native_MD 7 160 357 -CD2_AB42_17 C_AB42_42 1 0.000000e+00 4.715608e-06 ; 3.205948e-01 -4.715608e-06 3.359769e-03 1.136478e-03 0.000485 0.000060 True native_MD 7 160 358 +CD2_AB42_17 C_AB42_42 1 0.000000e+00 4.715547e-06 ; 3.205945e-01 -4.715547e-06 3.359769e-03 1.136478e-03 0.000485 0.000060 True native_MD 7 160 358 CD2_AB42_17 O1_AB42_42 1 0.000000e+00 1.216871e-06 ; 2.863730e-01 -1.216871e-06 1.132025e-03 6.441225e-04 0.000485 0.000060 True native_MD 7 160 359 CD2_AB42_17 O2_AB42_42 1 0.000000e+00 1.216871e-06 ; 2.863730e-01 -1.216871e-06 1.132025e-03 6.441225e-04 0.000485 0.000060 True native_MD 7 160 360 - C_AB42_17 CB_AB42_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 166 - C_AB42_17 CG1_AB42_18 1 0.000000e+00 4.674571e-06 ; 3.203614e-01 -4.674571e-06 9.988670e-01 9.879606e-01 0.000485 0.000060 True native_MD 4 161 167 - C_AB42_17 CG2_AB42_18 1 0.000000e+00 4.715369e-06 ; 3.205934e-01 -4.715369e-06 9.998641e-01 9.975903e-01 0.000485 0.000060 True native_MD 4 161 168 - C_AB42_17 O_AB42_18 1 0.000000e+00 8.145973e-07 ; 2.769535e-01 -8.145973e-07 9.183280e-01 9.033989e-01 0.000485 0.000060 True native_MD 4 161 170 - C_AB42_17 N_AB42_19 1 0.000000e+00 1.479815e-06 ; 2.910799e-01 -1.479815e-06 9.943116e-01 9.755245e-01 0.000485 0.000060 True native_MD 4 161 171 - C_AB42_17 CA_AB42_19 1 0.000000e+00 1.191477e-05 ; 3.463396e-01 -1.191477e-05 9.459678e-01 8.588469e-01 0.000485 0.000060 True native_MD 5 161 173 - C_AB42_17 CB_AB42_19 1 0.000000e+00 4.351211e-06 ; 3.184534e-01 -4.351211e-06 5.192562e-01 2.062214e-01 0.000485 0.000060 True native_MD 6 161 174 + C_AB42_17 CB_AB42_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 166 + C_AB42_17 CG1_AB42_18 1 0.000000e+00 4.674510e-06 ; 3.203610e-01 -4.674510e-06 9.988670e-01 9.879606e-01 0.000485 0.000060 True native_MD 4 161 167 + C_AB42_17 CG2_AB42_18 1 0.000000e+00 4.715308e-06 ; 3.205931e-01 -4.715308e-06 9.998641e-01 9.975903e-01 0.000485 0.000060 True native_MD 4 161 168 + C_AB42_17 O_AB42_18 1 0.000000e+00 8.145936e-07 ; 2.769534e-01 -8.145936e-07 9.183280e-01 9.033989e-01 0.000485 0.000060 True native_MD 4 161 170 + C_AB42_17 N_AB42_19 1 0.000000e+00 1.479794e-06 ; 2.910796e-01 -1.479794e-06 9.943116e-01 9.755245e-01 0.000485 0.000060 True native_MD 4 161 171 + C_AB42_17 CA_AB42_19 1 0.000000e+00 1.191471e-05 ; 3.463395e-01 -1.191471e-05 9.459678e-01 8.588469e-01 0.000485 0.000060 True native_MD 5 161 173 + C_AB42_17 CB_AB42_19 1 0.000000e+00 4.351138e-06 ; 3.184529e-01 -4.351138e-06 5.192562e-01 2.062214e-01 0.000485 0.000060 True native_MD 6 161 174 C_AB42_17 CG_AB42_19 1 3.096532e-03 1.551433e-05 ; 4.136594e-01 1.545105e-01 1.681529e-01 9.146214e-02 0.000485 0.003309 True native_MD 7 161 175 C_AB42_17 CD1_AB42_19 1 1.486354e-03 3.665781e-06 ; 3.675706e-01 1.506669e-01 2.143036e-01 1.307737e-01 0.000485 0.003309 True native_MD 7 161 176 C_AB42_17 CD2_AB42_19 1 1.486354e-03 3.665781e-06 ; 3.675706e-01 1.506669e-01 2.143036e-01 1.307737e-01 0.000485 0.003309 True native_MD 7 161 177 C_AB42_17 CE1_AB42_19 1 1.203534e-03 2.571261e-06 ; 3.588789e-01 1.408349e-01 1.249505e-01 1.023321e-01 0.000485 0.003309 True native_MD 7 161 178 C_AB42_17 CE2_AB42_19 1 1.203534e-03 2.571261e-06 ; 3.588789e-01 1.408349e-01 1.249505e-01 1.023321e-01 0.000485 0.003309 True native_MD 7 161 179 C_AB42_17 CZ_AB42_19 1 1.766532e-03 5.548788e-06 ; 3.826891e-01 1.405999e-01 8.023391e-02 6.617394e-02 0.000485 0.003309 True native_MD 7 161 180 - C_AB42_17 C_AB42_19 1 0.000000e+00 2.366343e-06 ; 3.026924e-01 -2.366343e-06 2.063781e-01 1.170107e-01 0.000485 0.000060 True native_MD 6 161 181 + C_AB42_17 C_AB42_19 1 0.000000e+00 2.366301e-06 ; 3.026919e-01 -2.366301e-06 2.063781e-01 1.170107e-01 0.000485 0.000060 True native_MD 6 161 181 C_AB42_17 O_AB42_19 1 8.288692e-04 1.218901e-06 ; 3.372203e-01 1.409106e-01 1.329937e-01 7.112950e-02 0.000485 0.002166 True native_MD 7 161 182 C_AB42_17 N_AB42_20 1 7.444336e-04 1.323680e-06 ; 3.480643e-01 1.046668e-01 6.409859e-02 1.014170e-01 0.000485 0.002166 True native_MD 7 161 183 C_AB42_17 CA_AB42_20 1 2.011658e-03 1.155846e-05 ; 4.232116e-01 8.752832e-02 6.500673e-02 1.061743e-01 0.000485 0.001339 True native_MD 7 161 185 - C_AB42_17 CB_AB42_20 1 0.000000e+00 6.477451e-06 ; 3.291890e-01 -6.477451e-06 4.880872e-02 7.146272e-02 0.000485 0.000060 True native_MD 7 161 186 + C_AB42_17 CB_AB42_20 1 0.000000e+00 6.477342e-06 ; 3.291886e-01 -6.477342e-06 4.880872e-02 7.146272e-02 0.000485 0.000060 True native_MD 7 161 186 C_AB42_17 CG_AB42_20 1 2.542981e-03 1.199817e-05 ; 4.095390e-01 1.347446e-01 1.812628e-02 1.781296e-02 0.000485 0.003309 True native_MD 7 161 187 C_AB42_17 CD1_AB42_20 1 1.188614e-03 2.716495e-06 ; 3.629343e-01 1.300207e-01 2.752201e-02 3.115323e-02 0.000485 0.003309 True native_MD 7 161 188 C_AB42_17 CD2_AB42_20 1 1.188614e-03 2.716495e-06 ; 3.629343e-01 1.300207e-01 2.752201e-02 3.115323e-02 0.000485 0.003309 True native_MD 7 161 189 @@ -35492,27 +35492,27 @@ CD2_AB42_17 O2_AB42_42 1 0.000000e+00 1.216871e-06 ; 2.863730e-01 -1.216871 C_AB42_17 O_AB42_20 1 5.475045e-04 6.550775e-07 ; 3.258248e-01 1.143991e-01 1.066102e-02 1.260603e-02 0.000485 0.002166 True native_MD 7 161 194 C_AB42_17 N_AB42_21 1 9.542433e-04 2.348176e-06 ; 3.674334e-01 9.694549e-02 1.129904e-02 2.252448e-02 0.000485 0.002166 True native_MD 7 161 195 C_AB42_17 CA_AB42_21 1 4.232306e-03 3.693475e-05 ; 4.537427e-01 1.212436e-01 5.680352e-02 3.382593e-02 0.000485 0.001339 True native_MD 7 161 197 - C_AB42_17 CB_AB42_21 1 0.000000e+00 4.376032e-06 ; 3.186044e-01 -4.376032e-06 1.100693e-01 3.599503e-02 0.000485 0.000060 True native_MD 7 161 198 + C_AB42_17 CB_AB42_21 1 0.000000e+00 4.375975e-06 ; 3.186040e-01 -4.375975e-06 1.100693e-01 3.599503e-02 0.000485 0.000060 True native_MD 7 161 198 C_AB42_17 C_AB42_21 1 2.150762e-03 9.575707e-06 ; 4.055986e-01 1.207686e-01 2.216523e-03 3.616105e-04 0.000485 0.002166 True native_MD 7 161 199 C_AB42_17 O_AB42_21 1 5.131546e-04 5.391213e-07 ; 3.188402e-01 1.221096e-01 2.307288e-03 6.121667e-04 0.000485 0.002166 True native_MD 7 161 200 C_AB42_17 N_AB42_22 1 7.365238e-04 1.699429e-06 ; 3.635125e-01 7.980142e-02 6.504829e-04 2.120477e-04 0.000485 0.002166 True native_MD 7 161 201 C_AB42_17 CA_AB42_22 1 2.631453e-03 1.639723e-05 ; 4.289722e-01 1.055749e-01 1.406714e-03 7.869597e-04 0.000485 0.001339 True native_MD 7 161 203 - C_AB42_17 CB_AB42_22 1 0.000000e+00 6.330124e-06 ; 3.285585e-01 -6.330124e-06 1.389304e-03 7.834980e-04 0.000485 0.000060 True native_MD 7 161 204 - C_AB42_17 CG_AB42_22 1 0.000000e+00 6.339231e-06 ; 3.285978e-01 -6.339231e-06 1.074615e-03 1.906594e-03 0.000485 0.000060 True native_MD 7 161 205 + C_AB42_17 CB_AB42_22 1 0.000000e+00 6.330018e-06 ; 3.285580e-01 -6.330018e-06 1.389304e-03 7.834980e-04 0.000485 0.000060 True native_MD 7 161 204 + C_AB42_17 CG_AB42_22 1 0.000000e+00 6.339124e-06 ; 3.285974e-01 -6.339124e-06 1.074615e-03 1.906594e-03 0.000485 0.000060 True native_MD 7 161 205 C_AB42_17 OE1_AB42_22 1 4.511353e-04 6.983952e-07 ; 3.401202e-01 7.285382e-02 5.283727e-04 1.261516e-03 0.000485 0.002166 True native_MD 7 161 207 C_AB42_17 OE2_AB42_22 1 4.511353e-04 6.983952e-07 ; 3.401202e-01 7.285382e-02 5.283727e-04 1.261516e-03 0.000485 0.002166 True native_MD 7 161 208 C_AB42_17 C_AB42_22 1 1.008161e-03 3.421810e-06 ; 3.876630e-01 7.425809e-02 5.510502e-04 8.962918e-05 0.000485 0.002166 True native_MD 7 161 209 C_AB42_17 O_AB42_22 1 2.688799e-04 2.316806e-07 ; 3.084764e-01 7.801302e-02 6.165847e-04 6.669867e-05 0.000485 0.002166 True native_MD 7 161 210 C_AB42_17 CA_AB42_23 1 4.090881e-03 3.829550e-05 ; 4.590801e-01 1.092512e-01 1.570306e-03 2.712125e-04 0.000485 0.001339 True native_MD 7 161 213 - C_AB42_17 CB_AB42_23 1 0.000000e+00 6.334140e-06 ; 3.285758e-01 -6.334140e-06 1.357959e-03 1.386227e-03 0.000485 0.000060 True native_MD 7 161 214 + C_AB42_17 CB_AB42_23 1 0.000000e+00 6.334034e-06 ; 3.285754e-01 -6.334034e-06 1.357959e-03 1.386227e-03 0.000485 0.000060 True native_MD 7 161 214 C_AB42_17 CG_AB42_23 1 1.452522e-03 5.495451e-06 ; 3.947421e-01 9.598034e-02 1.055621e-03 5.033898e-04 0.000485 0.002166 True native_MD 7 161 215 C_AB42_17 OD1_AB42_23 1 4.876823e-04 6.677736e-07 ; 3.332335e-01 8.903993e-02 8.576415e-04 4.978175e-04 0.000485 0.002166 True native_MD 7 161 216 C_AB42_17 OD2_AB42_23 1 4.876823e-04 6.677736e-07 ; 3.332335e-01 8.903993e-02 8.576415e-04 4.978175e-04 0.000485 0.002166 True native_MD 7 161 217 C_AB42_17 O_AB42_23 1 6.603920e-04 1.052511e-06 ; 3.417728e-01 1.035898e-01 1.325577e-03 1.709517e-04 0.000485 0.002166 True native_MD 7 161 219 C_AB42_17 CA_AB42_24 1 3.978965e-03 4.199022e-05 ; 4.683419e-01 9.426101e-02 1.002680e-03 2.598059e-04 0.000485 0.001339 True native_MD 7 161 222 - C_AB42_17 CB_AB42_24 1 0.000000e+00 1.305163e-05 ; 3.489799e-01 -1.305163e-05 1.865128e-03 1.847295e-03 0.000485 0.000060 True native_MD 7 161 223 - C_AB42_17 CG1_AB42_24 1 0.000000e+00 4.728173e-06 ; 3.206659e-01 -4.728173e-06 1.885276e-03 2.320487e-03 0.000485 0.000060 True native_MD 7 161 224 - C_AB42_17 CG2_AB42_24 1 0.000000e+00 4.722392e-06 ; 3.206332e-01 -4.722392e-06 2.641971e-03 1.854110e-03 0.000485 0.000060 True native_MD 7 161 225 + C_AB42_17 CB_AB42_24 1 0.000000e+00 1.305156e-05 ; 3.489797e-01 -1.305156e-05 1.865128e-03 1.847295e-03 0.000485 0.000060 True native_MD 7 161 223 + C_AB42_17 CG1_AB42_24 1 0.000000e+00 4.728111e-06 ; 3.206655e-01 -4.728111e-06 1.885276e-03 2.320487e-03 0.000485 0.000060 True native_MD 7 161 224 + C_AB42_17 CG2_AB42_24 1 0.000000e+00 4.722330e-06 ; 3.206329e-01 -4.722330e-06 2.641971e-03 1.854110e-03 0.000485 0.000060 True native_MD 7 161 225 C_AB42_17 CA_AB42_25 1 1.262378e-03 3.668719e-06 ; 3.777642e-01 1.085937e-01 1.539712e-03 6.938800e-04 0.000485 0.001584 True native_MD 7 161 230 C_AB42_17 C_AB42_25 1 1.473975e-03 6.602896e-06 ; 4.060137e-01 8.225946e-02 7.001358e-04 8.961933e-05 0.000485 0.002166 True native_MD 7 161 231 C_AB42_17 O_AB42_25 1 6.801537e-04 1.186937e-06 ; 3.469792e-01 9.743754e-02 1.102673e-03 1.428099e-04 0.000485 0.002166 True native_MD 7 161 232 @@ -35528,10 +35528,10 @@ CD2_AB42_17 O2_AB42_42 1 0.000000e+00 1.216871e-06 ; 2.863730e-01 -1.216871 C_AB42_17 ND2_AB42_27 1 9.378475e-04 1.717763e-06 ; 3.497882e-01 1.280092e-01 2.752810e-03 9.101853e-04 0.000485 0.002166 True native_MD 7 161 246 C_AB42_17 O_AB42_27 1 3.101705e-04 3.166506e-07 ; 3.173194e-01 7.595574e-02 5.797689e-04 5.003524e-05 0.000485 0.002166 True native_MD 7 161 248 C_AB42_17 CA_AB42_28 1 4.582030e-03 4.536275e-05 ; 4.633832e-01 1.157062e-01 1.904926e-03 1.782972e-04 0.000485 0.001339 True native_MD 7 161 251 - C_AB42_17 CB_AB42_28 1 0.000000e+00 6.328022e-06 ; 3.285494e-01 -6.328022e-06 1.122951e-03 1.853131e-04 0.000485 0.000060 True native_MD 7 161 252 - C_AB42_17 CG_AB42_28 1 0.000000e+00 6.330266e-06 ; 3.285591e-01 -6.330266e-06 8.071476e-04 2.237539e-04 0.000485 0.000060 True native_MD 7 161 253 - C_AB42_17 CD_AB42_28 1 0.000000e+00 6.332358e-06 ; 3.285681e-01 -6.332358e-06 7.088533e-04 4.557684e-04 0.000485 0.000060 True native_MD 7 161 254 - C_AB42_17 CE_AB42_28 1 0.000000e+00 6.334302e-06 ; 3.285765e-01 -6.334302e-06 9.761680e-04 1.029968e-03 0.000485 0.000060 True native_MD 7 161 255 + C_AB42_17 CB_AB42_28 1 0.000000e+00 6.327916e-06 ; 3.285489e-01 -6.327916e-06 1.122951e-03 1.853131e-04 0.000485 0.000060 True native_MD 7 161 252 + C_AB42_17 CG_AB42_28 1 0.000000e+00 6.330160e-06 ; 3.285586e-01 -6.330160e-06 8.071476e-04 2.237539e-04 0.000485 0.000060 True native_MD 7 161 253 + C_AB42_17 CD_AB42_28 1 0.000000e+00 6.332252e-06 ; 3.285677e-01 -6.332252e-06 7.088533e-04 4.557684e-04 0.000485 0.000060 True native_MD 7 161 254 + C_AB42_17 CE_AB42_28 1 0.000000e+00 6.334195e-06 ; 3.285761e-01 -6.334195e-06 9.761680e-04 1.029968e-03 0.000485 0.000060 True native_MD 7 161 255 C_AB42_17 NZ_AB42_28 1 4.723747e-04 7.920294e-07 ; 3.446745e-01 7.043233e-02 4.914383e-04 4.847692e-04 0.000485 0.002166 True native_MD 7 161 256 C_AB42_17 C_AB42_28 1 2.620300e-03 1.394734e-05 ; 4.178529e-01 1.230695e-01 2.374528e-03 4.591581e-05 0.000485 0.002166 True native_MD 7 161 257 C_AB42_17 O_AB42_28 1 5.443957e-04 5.479976e-07 ; 3.165755e-01 1.352044e-01 3.414207e-03 7.243420e-05 0.000485 0.002166 True native_MD 7 161 258 @@ -35566,7 +35566,7 @@ CD2_AB42_17 O2_AB42_42 1 0.000000e+00 1.216871e-06 ; 2.863730e-01 -1.216871 C_AB42_17 CA_AB42_34 1 4.743800e-03 3.813481e-05 ; 4.475750e-01 1.475269e-01 4.936753e-03 0.000000e+00 0.000485 0.001339 True native_MD 7 161 295 C_AB42_17 CB_AB42_34 1 1.957372e-03 1.035185e-05 ; 4.174048e-01 9.252713e-02 2.390581e-03 1.499544e-04 0.000485 0.000060 True native_MD 7 161 296 C_AB42_17 CG_AB42_34 1 2.553617e-03 1.938522e-05 ; 4.433219e-01 8.409703e-02 6.044854e-03 4.879831e-04 0.000485 0.000060 True native_MD 7 161 297 - C_AB42_17 CD1_AB42_34 1 0.000000e+00 4.701013e-06 ; 3.205120e-01 -4.701013e-06 6.085032e-03 7.735214e-04 0.000485 0.000060 True native_MD 7 161 298 + C_AB42_17 CD1_AB42_34 1 0.000000e+00 4.700951e-06 ; 3.205116e-01 -4.700951e-06 6.085032e-03 7.735214e-04 0.000485 0.000060 True native_MD 7 161 298 C_AB42_17 CD2_AB42_34 1 9.524076e-04 2.916036e-06 ; 3.810614e-01 7.776655e-02 6.023881e-03 5.877200e-04 0.000485 0.000060 True native_MD 7 161 299 C_AB42_17 C_AB42_34 1 2.114469e-03 1.022622e-05 ; 4.112308e-01 1.093018e-01 1.572688e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 161 300 C_AB42_17 O_AB42_34 1 4.593824e-04 4.025272e-07 ; 3.093405e-01 1.310670e-01 3.016601e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 161 301 @@ -35620,14 +35620,14 @@ CD2_AB42_17 O2_AB42_42 1 0.000000e+00 1.216871e-06 ; 2.863730e-01 -1.216871 C_AB42_17 CB_AB42_42 1 9.481710e-04 1.926381e-06 ; 3.558846e-01 1.166732e-01 8.040846e-03 2.448718e-04 0.000485 0.000060 True native_MD 7 161 357 O_AB42_17 O_AB42_17 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 162 O_AB42_17 H_AB42_18 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 164 - O_AB42_17 CB_AB42_18 1 0.000000e+00 4.153548e-06 ; 3.172220e-01 -4.153548e-06 9.999871e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 162 166 + O_AB42_17 CB_AB42_18 1 0.000000e+00 4.153581e-06 ; 3.172222e-01 -4.153581e-06 9.999871e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 162 166 O_AB42_17 CG1_AB42_18 1 0.000000e+00 1.197218e-06 ; 2.859847e-01 -1.197218e-06 6.014450e-01 3.974723e-01 0.000485 0.000060 True native_MD 5 162 167 O_AB42_17 CG2_AB42_18 1 0.000000e+00 8.613857e-07 ; 2.782455e-01 -8.613857e-07 8.320671e-01 4.048001e-01 0.000485 0.000060 True native_MD 5 162 168 - O_AB42_17 C_AB42_18 1 0.000000e+00 8.244032e-07 ; 2.772298e-01 -8.244032e-07 9.999613e-01 9.968902e-01 0.000485 0.000060 True native_MD 4 162 169 + O_AB42_17 C_AB42_18 1 0.000000e+00 8.243994e-07 ; 2.772297e-01 -8.243994e-07 9.999613e-01 9.968902e-01 0.000485 0.000060 True native_MD 4 162 169 O_AB42_17 O_AB42_18 1 0.000000e+00 1.366673e-06 ; 2.891570e-01 -1.366673e-06 9.208195e-01 8.319348e-01 0.000485 0.000060 True native_MD 5 162 170 O_AB42_17 N_AB42_19 1 0.000000e+00 1.438078e-06 ; 2.903868e-01 -1.438078e-06 9.565000e-01 9.152184e-01 0.000485 0.000060 True native_MD 5 162 171 - O_AB42_17 H_AB42_19 1 0.000000e+00 1.025898e-08 ; 1.923477e-01 -1.025898e-08 4.929662e-01 1.541449e-01 0.000485 0.000060 True native_MD 6 162 172 - O_AB42_17 CA_AB42_19 1 0.000000e+00 3.363388e-06 ; 3.116925e-01 -3.363388e-06 7.431634e-01 5.529365e-01 0.000485 0.000060 True native_MD 6 162 173 + O_AB42_17 H_AB42_19 1 0.000000e+00 1.025914e-08 ; 1.923480e-01 -1.025914e-08 4.929662e-01 1.541449e-01 0.000485 0.000060 True native_MD 6 162 172 + O_AB42_17 CA_AB42_19 1 0.000000e+00 3.363415e-06 ; 3.116928e-01 -3.363415e-06 7.431634e-01 5.529365e-01 0.000485 0.000060 True native_MD 6 162 173 O_AB42_17 CB_AB42_19 1 1.198031e-03 2.513232e-06 ; 3.577894e-01 1.427721e-01 5.001893e-01 1.390720e-01 0.000485 0.001191 True native_MD 7 162 174 O_AB42_17 CG_AB42_19 1 1.097011e-03 1.850681e-06 ; 3.450273e-01 1.625663e-01 3.228999e-01 1.380126e-01 0.000485 0.003309 True native_MD 7 162 175 O_AB42_17 CD1_AB42_19 1 3.786822e-04 2.352827e-07 ; 2.921141e-01 1.523701e-01 2.652166e-01 1.538045e-01 0.000485 0.003309 True native_MD 7 162 176 @@ -35659,15 +35659,15 @@ CD2_AB42_17 O2_AB42_42 1 0.000000e+00 1.216871e-06 ; 2.863730e-01 -1.216871 O_AB42_17 H_AB42_22 1 7.509334e-06 1.884840e-10 ; 1.711114e-01 7.479430e-02 5.599639e-04 2.688257e-04 0.000485 0.005316 True native_MD 7 162 202 O_AB42_17 CA_AB42_22 1 5.690435e-04 9.000794e-07 ; 3.413416e-01 8.993942e-02 1.017858e-03 1.546757e-03 0.000485 0.001339 True native_MD 7 162 203 O_AB42_17 CB_AB42_22 1 5.003724e-04 6.809185e-07 ; 3.328897e-01 9.192457e-02 1.216253e-03 1.548736e-03 0.000485 0.001191 True native_MD 7 162 204 - O_AB42_17 CG_AB42_22 1 0.000000e+00 2.019679e-06 ; 2.987229e-01 -2.019679e-06 1.141443e-03 3.137105e-03 0.000485 0.001191 True native_MD 7 162 205 - O_AB42_17 CD_AB42_22 1 0.000000e+00 8.286443e-07 ; 2.773484e-01 -8.286443e-07 5.423219e-04 2.599795e-03 0.000485 0.002166 True native_MD 7 162 206 + O_AB42_17 CG_AB42_22 1 0.000000e+00 2.019671e-06 ; 2.987228e-01 -2.019671e-06 1.141443e-03 3.137105e-03 0.000485 0.001191 True native_MD 7 162 205 + O_AB42_17 CD_AB42_22 1 0.000000e+00 8.286404e-07 ; 2.773483e-01 -8.286404e-07 5.423219e-04 2.599795e-03 0.000485 0.002166 True native_MD 7 162 206 O_AB42_17 OE1_AB42_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 207 O_AB42_17 OE2_AB42_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 208 O_AB42_17 C_AB42_22 1 5.312723e-04 9.512191e-07 ; 3.484661e-01 7.418119e-02 5.497835e-04 1.536694e-04 0.000485 0.002166 True native_MD 7 162 209 O_AB42_17 O_AB42_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 210 O_AB42_17 H_AB42_23 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 212 O_AB42_17 CA_AB42_23 1 4.878514e-04 8.342613e-07 ; 3.458086e-01 7.132028e-02 5.046722e-04 8.871497e-04 0.000485 0.001339 True native_MD 7 162 213 - O_AB42_17 CB_AB42_23 1 0.000000e+00 2.018650e-06 ; 2.987102e-01 -2.018650e-06 8.293996e-04 2.314801e-03 0.000485 0.001191 True native_MD 7 162 214 + O_AB42_17 CB_AB42_23 1 0.000000e+00 2.018643e-06 ; 2.987101e-01 -2.018643e-06 8.293996e-04 2.314801e-03 0.000485 0.001191 True native_MD 7 162 214 O_AB42_17 CG_AB42_23 1 5.877903e-04 8.700957e-07 ; 3.375909e-01 9.926997e-02 1.164829e-03 1.902850e-03 0.000485 0.002166 True native_MD 7 162 215 O_AB42_17 OD1_AB42_23 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 216 O_AB42_17 OD2_AB42_23 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 217 @@ -35808,22 +35808,22 @@ CD2_AB42_17 O2_AB42_42 1 0.000000e+00 1.216871e-06 ; 2.863730e-01 -1.216871 O_AB42_17 C_AB42_42 1 5.055840e-04 6.272279e-07 ; 3.277973e-01 1.018829e-01 1.259568e-03 1.761697e-04 0.000485 0.002166 True native_MD 7 162 358 O_AB42_17 O1_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 359 O_AB42_17 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 360 - N_AB42_18 CB_AB42_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 166 - N_AB42_18 CG1_AB42_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 167 - N_AB42_18 CG2_AB42_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 168 - N_AB42_18 CA_AB42_19 1 0.000000e+00 7.574663e-06 ; 3.335098e-01 -7.574663e-06 1.000000e+00 9.999562e-01 0.000485 0.000060 True native_MD 4 163 173 - N_AB42_18 CB_AB42_19 1 0.000000e+00 3.683933e-06 ; 3.140660e-01 -3.683933e-06 2.788336e-01 2.809694e-01 0.000485 0.000060 True native_MD 5 163 174 - N_AB42_18 CG_AB42_19 1 0.000000e+00 1.503748e-06 ; 2.914694e-01 -1.503748e-06 3.869356e-02 3.577546e-02 0.000485 0.000060 True native_MD 6 163 175 + N_AB42_18 CB_AB42_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 166 + N_AB42_18 CG1_AB42_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 167 + N_AB42_18 CG2_AB42_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 168 + N_AB42_18 CA_AB42_19 1 0.000000e+00 7.574651e-06 ; 3.335098e-01 -7.574651e-06 1.000000e+00 9.999562e-01 0.000485 0.000060 True native_MD 4 163 173 + N_AB42_18 CB_AB42_19 1 0.000000e+00 3.683885e-06 ; 3.140657e-01 -3.683885e-06 2.788336e-01 2.809694e-01 0.000485 0.000060 True native_MD 5 163 174 + N_AB42_18 CG_AB42_19 1 0.000000e+00 1.503727e-06 ; 2.914690e-01 -1.503727e-06 3.869356e-02 3.577546e-02 0.000485 0.000060 True native_MD 6 163 175 N_AB42_18 CD1_AB42_19 1 1.336133e-03 3.269263e-06 ; 3.670850e-01 1.365180e-01 7.794905e-02 7.264364e-02 0.000485 0.003309 True native_MD 7 163 176 N_AB42_18 CD2_AB42_19 1 1.336133e-03 3.269263e-06 ; 3.670850e-01 1.365180e-01 7.794905e-02 7.264364e-02 0.000485 0.003309 True native_MD 7 163 177 N_AB42_18 CE1_AB42_19 1 1.639707e-03 4.356600e-06 ; 3.721605e-01 1.542854e-01 3.327441e-02 1.822132e-02 0.000485 0.003309 True native_MD 7 163 178 N_AB42_18 CE2_AB42_19 1 1.639707e-03 4.356600e-06 ; 3.721605e-01 1.542854e-01 3.327441e-02 1.822132e-02 0.000485 0.003309 True native_MD 7 163 179 N_AB42_18 CZ_AB42_19 1 2.119151e-03 6.531394e-06 ; 3.814819e-01 1.718930e-01 1.023573e-02 2.593319e-03 0.000485 0.003309 True native_MD 7 163 180 - N_AB42_18 C_AB42_19 1 0.000000e+00 1.422460e-06 ; 2.901227e-01 -1.422460e-06 1.234853e-01 6.666794e-02 0.000485 0.000060 True native_MD 5 163 181 + N_AB42_18 C_AB42_19 1 0.000000e+00 1.422440e-06 ; 2.901223e-01 -1.422440e-06 1.234853e-01 6.666794e-02 0.000485 0.000060 True native_MD 5 163 181 N_AB42_18 O_AB42_19 1 0.000000e+00 1.331601e-06 ; 2.885312e-01 -1.331601e-06 2.139918e-01 1.017255e-01 0.000485 0.000060 True native_MD 6 163 182 - N_AB42_18 N_AB42_20 1 0.000000e+00 8.841074e-07 ; 2.788499e-01 -8.841074e-07 4.490062e-02 5.496975e-02 0.000485 0.000060 True native_MD 6 163 183 + N_AB42_18 N_AB42_20 1 0.000000e+00 8.840982e-07 ; 2.788496e-01 -8.840982e-07 4.490062e-02 5.496975e-02 0.000485 0.000060 True native_MD 6 163 183 N_AB42_18 CA_AB42_20 1 3.861630e-03 3.514065e-05 ; 4.569197e-01 1.060893e-01 2.919758e-02 2.736422e-02 0.000485 0.001339 True native_MD 7 163 185 - N_AB42_18 CB_AB42_20 1 0.000000e+00 3.683679e-06 ; 3.140642e-01 -3.683679e-06 5.514556e-03 7.581138e-03 0.000485 0.000060 True native_MD 7 163 186 + N_AB42_18 CB_AB42_20 1 0.000000e+00 3.683630e-06 ; 3.140639e-01 -3.683630e-06 5.514556e-03 7.581138e-03 0.000485 0.000060 True native_MD 7 163 186 N_AB42_18 CG_AB42_20 1 1.892696e-03 5.734025e-06 ; 3.803906e-01 1.561861e-01 6.397086e-03 7.110818e-04 0.000485 0.003309 True native_MD 7 163 187 N_AB42_18 CD1_AB42_20 1 1.145331e-03 2.003033e-06 ; 3.471039e-01 1.637245e-01 1.258092e-02 5.194040e-03 0.000485 0.003309 True native_MD 7 163 188 N_AB42_18 CD2_AB42_20 1 1.145331e-03 2.003033e-06 ; 3.471039e-01 1.637245e-01 1.258092e-02 5.194040e-03 0.000485 0.003309 True native_MD 7 163 189 @@ -35832,15 +35832,15 @@ CD2_AB42_17 O2_AB42_42 1 0.000000e+00 1.216871e-06 ; 2.863730e-01 -1.216871 N_AB42_18 CZ_AB42_20 1 7.926111e-04 8.489315e-07 ; 3.198665e-01 1.850068e-01 2.375982e-02 5.188445e-03 0.000485 0.003309 True native_MD 7 163 192 N_AB42_18 C_AB42_20 1 1.458364e-03 5.559675e-06 ; 3.952428e-01 9.563620e-02 1.044805e-03 3.051569e-05 0.000485 0.002166 True native_MD 7 163 193 N_AB42_18 O_AB42_20 1 6.145112e-04 6.819999e-07 ; 3.217677e-01 1.384253e-01 7.689475e-03 4.430192e-03 0.000485 0.002166 True native_MD 7 163 194 - N_AB42_18 N_AB42_21 1 0.000000e+00 8.737688e-07 ; 2.785767e-01 -8.737688e-07 2.377469e-03 6.349701e-04 0.000485 0.000060 True native_MD 7 163 195 + N_AB42_18 N_AB42_21 1 0.000000e+00 8.737596e-07 ; 2.785764e-01 -8.737596e-07 2.377469e-03 6.349701e-04 0.000485 0.000060 True native_MD 7 163 195 N_AB42_18 CA_AB42_21 1 6.258900e-03 4.981245e-05 ; 4.468276e-01 1.966067e-01 9.608208e-02 5.998660e-03 0.000485 0.001339 True native_MD 7 163 197 N_AB42_18 CB_AB42_21 1 5.653879e-04 9.439338e-07 ; 3.444286e-01 8.466258e-02 2.045672e-01 1.623696e-02 0.000485 0.000060 True native_MD 7 163 198 N_AB42_18 C_AB42_21 1 9.750380e-04 1.970604e-06 ; 3.555737e-01 1.206101e-01 2.206036e-03 3.110751e-05 0.000485 0.002166 True native_MD 7 163 199 N_AB42_18 O_AB42_21 1 1.383718e-04 3.454075e-08 ; 2.509270e-01 1.385810e-01 3.777239e-03 7.650688e-04 0.000485 0.002166 True native_MD 7 163 200 N_AB42_18 N_AB42_22 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 3.099695e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 163 201 N_AB42_18 CA_AB42_22 1 2.017426e-03 8.722223e-06 ; 4.036190e-01 1.166563e-01 1.959865e-03 4.618100e-04 0.000485 0.001339 True native_MD 7 163 203 - N_AB42_18 CB_AB42_22 1 0.000000e+00 3.672965e-06 ; 3.139880e-01 -3.672965e-06 1.233397e-03 3.855485e-04 0.000485 0.000060 True native_MD 7 163 204 - N_AB42_18 CG_AB42_22 1 0.000000e+00 3.672632e-06 ; 3.139856e-01 -3.672632e-06 1.708705e-03 7.702458e-04 0.000485 0.000060 True native_MD 7 163 205 + N_AB42_18 CB_AB42_22 1 0.000000e+00 3.672917e-06 ; 3.139877e-01 -3.672917e-06 1.233397e-03 3.855485e-04 0.000485 0.000060 True native_MD 7 163 204 + N_AB42_18 CG_AB42_22 1 0.000000e+00 3.672583e-06 ; 3.139853e-01 -3.672583e-06 1.708705e-03 7.702458e-04 0.000485 0.000060 True native_MD 7 163 205 N_AB42_18 CD_AB42_22 1 7.496221e-04 1.300006e-06 ; 3.466175e-01 1.080636e-01 1.515479e-03 5.313923e-04 0.000485 0.002166 True native_MD 7 163 206 N_AB42_18 OE1_AB42_22 1 2.587394e-04 1.241983e-07 ; 2.798179e-01 1.347564e-01 3.368741e-03 2.103149e-03 0.000485 0.002166 True native_MD 7 163 207 N_AB42_18 OE2_AB42_22 1 2.587394e-04 1.241983e-07 ; 2.798179e-01 1.347564e-01 3.368741e-03 2.103149e-03 0.000485 0.002166 True native_MD 7 163 208 @@ -35855,9 +35855,9 @@ CD2_AB42_17 O2_AB42_42 1 0.000000e+00 1.216871e-06 ; 2.863730e-01 -1.216871 N_AB42_18 O_AB42_23 1 1.360310e-04 3.852235e-08 ; 2.562590e-01 1.200890e-01 2.171903e-03 6.087561e-05 0.000485 0.002166 True native_MD 7 163 219 N_AB42_18 N_AB42_24 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 3.344995e-05 0.000000e+00 0.000485 0.000060 True native_MD 7 163 220 N_AB42_18 CA_AB42_24 1 2.107326e-03 1.006359e-05 ; 4.103649e-01 1.103191e-01 1.621301e-03 8.809915e-05 0.000485 0.001339 True native_MD 7 163 222 - N_AB42_18 CB_AB42_24 1 0.000000e+00 7.567963e-06 ; 3.334852e-01 -7.567963e-06 1.691916e-03 7.636621e-04 0.000485 0.000060 True native_MD 7 163 223 - N_AB42_18 CG1_AB42_24 1 0.000000e+00 2.742266e-06 ; 3.064344e-01 -2.742266e-06 1.475817e-03 1.235088e-03 0.000485 0.000060 True native_MD 7 163 224 - N_AB42_18 CG2_AB42_24 1 0.000000e+00 2.740920e-06 ; 3.064218e-01 -2.740920e-06 2.064503e-03 1.333152e-03 0.000485 0.000060 True native_MD 7 163 225 + N_AB42_18 CB_AB42_24 1 0.000000e+00 7.567951e-06 ; 3.334852e-01 -7.567951e-06 1.691916e-03 7.636621e-04 0.000485 0.000060 True native_MD 7 163 223 + N_AB42_18 CG1_AB42_24 1 0.000000e+00 2.742240e-06 ; 3.064341e-01 -2.742240e-06 1.475817e-03 1.235088e-03 0.000485 0.000060 True native_MD 7 163 224 + N_AB42_18 CG2_AB42_24 1 0.000000e+00 2.740894e-06 ; 3.064216e-01 -2.740894e-06 2.064503e-03 1.333152e-03 0.000485 0.000060 True native_MD 7 163 225 N_AB42_18 O_AB42_24 1 1.203930e-04 4.821216e-08 ; 2.714934e-01 7.515986e-02 5.661234e-04 1.466430e-04 0.000485 0.002166 True native_MD 7 163 227 N_AB42_18 N_AB42_25 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 4.045679e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 163 228 N_AB42_18 CA_AB42_25 1 1.941764e-03 8.678064e-06 ; 4.058551e-01 1.086201e-01 1.540929e-03 2.011365e-04 0.000485 0.001584 True native_MD 7 163 230 @@ -35879,10 +35879,10 @@ CD2_AB42_17 O2_AB42_42 1 0.000000e+00 1.216871e-06 ; 2.863730e-01 -1.216871 N_AB42_18 O_AB42_27 1 4.307804e-04 2.371011e-07 ; 2.862725e-01 1.956673e-01 2.085002e-02 8.885064e-07 0.000485 0.002166 True native_MD 7 163 248 N_AB42_18 N_AB42_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 4.725828e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 163 249 N_AB42_18 CA_AB42_28 1 3.048750e-03 1.733008e-05 ; 4.224544e-01 1.340859e-01 3.301814e-03 2.540162e-06 0.000485 0.001339 True native_MD 7 163 251 - N_AB42_18 CB_AB42_28 1 0.000000e+00 3.674322e-06 ; 3.139977e-01 -3.674322e-06 5.894668e-04 1.108576e-04 0.000485 0.000060 True native_MD 7 163 252 - N_AB42_18 CG_AB42_28 1 0.000000e+00 3.674214e-06 ; 3.139969e-01 -3.674214e-06 6.351325e-04 1.271232e-04 0.000485 0.000060 True native_MD 7 163 253 - N_AB42_18 CD_AB42_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 254 - N_AB42_18 CE_AB42_28 1 0.000000e+00 3.674931e-06 ; 3.140020e-01 -3.674931e-06 6.341445e-04 3.210325e-04 0.000485 0.000060 True native_MD 7 163 255 + N_AB42_18 CB_AB42_28 1 0.000000e+00 3.674274e-06 ; 3.139973e-01 -3.674274e-06 5.894668e-04 1.108576e-04 0.000485 0.000060 True native_MD 7 163 252 + N_AB42_18 CG_AB42_28 1 0.000000e+00 3.674166e-06 ; 3.139966e-01 -3.674166e-06 6.351325e-04 1.271232e-04 0.000485 0.000060 True native_MD 7 163 253 + N_AB42_18 CD_AB42_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 254 + N_AB42_18 CE_AB42_28 1 0.000000e+00 3.674882e-06 ; 3.140017e-01 -3.674882e-06 6.341445e-04 3.210325e-04 0.000485 0.000060 True native_MD 7 163 255 N_AB42_18 NZ_AB42_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 8.122127e-06 1.384965e-04 0.000485 0.000060 True native_MD 7 163 256 N_AB42_18 C_AB42_28 1 9.545142e-04 1.780379e-06 ; 3.508502e-01 1.279359e-01 2.746775e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 163 257 N_AB42_18 O_AB42_28 1 1.420430e-04 3.476791e-08 ; 2.501073e-01 1.450779e-01 4.587884e-03 4.915551e-05 0.000485 0.002166 True native_MD 7 163 258 @@ -35917,7 +35917,7 @@ CD2_AB42_17 O2_AB42_42 1 0.000000e+00 1.216871e-06 ; 2.863730e-01 -1.216871 N_AB42_18 CA_AB42_34 1 3.526286e-03 2.108043e-05 ; 4.260171e-01 1.474672e-01 4.927941e-03 5.020418e-05 0.000485 0.001339 True native_MD 7 163 295 N_AB42_18 CB_AB42_34 1 1.238516e-03 3.572208e-06 ; 3.772876e-01 1.073511e-01 1.483508e-03 5.003026e-05 0.000485 0.000060 True native_MD 7 163 296 N_AB42_18 CG_AB42_34 1 1.970701e-03 1.206197e-05 ; 4.276937e-01 8.049399e-02 1.991227e-03 1.790471e-04 0.000485 0.000060 True native_MD 7 163 297 - N_AB42_18 CD1_AB42_34 1 0.000000e+00 2.735983e-06 ; 3.063758e-01 -2.735983e-06 2.943924e-03 4.126639e-04 0.000485 0.000060 True native_MD 7 163 298 + N_AB42_18 CD1_AB42_34 1 0.000000e+00 2.735957e-06 ; 3.063756e-01 -2.735957e-06 2.943924e-03 4.126639e-04 0.000485 0.000060 True native_MD 7 163 298 N_AB42_18 CD2_AB42_34 1 7.505306e-04 1.850919e-06 ; 3.675670e-01 7.608331e-02 2.816847e-03 2.890240e-04 0.000485 0.000060 True native_MD 7 163 299 N_AB42_18 C_AB42_34 1 7.752831e-04 1.307392e-06 ; 3.450041e-01 1.149357e-01 1.861505e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 163 300 N_AB42_18 O_AB42_34 1 1.229258e-04 2.919693e-08 ; 2.488565e-01 1.293865e-01 2.868642e-03 3.210888e-05 0.000485 0.002166 True native_MD 7 163 301 @@ -35970,7 +35970,7 @@ CD2_AB42_17 O2_AB42_42 1 0.000000e+00 1.216871e-06 ; 2.863730e-01 -1.216871 N_AB42_18 CA_AB42_42 1 3.462235e-03 2.056027e-05 ; 4.255449e-01 1.457552e-01 4.681831e-03 0.000000e+00 0.000485 0.001339 True native_MD 7 163 356 N_AB42_18 CB_AB42_42 1 9.955260e-04 2.441045e-06 ; 3.672151e-01 1.015008e-01 4.818706e-03 2.310778e-04 0.000485 0.000060 True native_MD 7 163 357 H_AB42_18 H_AB42_18 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 164 - H_AB42_18 O_AB42_18 1 0.000000e+00 1.819058e-08 ; 2.017509e-01 -1.819058e-08 2.722065e-01 4.445667e-01 0.000485 0.000060 True native_MD 4 164 170 + H_AB42_18 O_AB42_18 1 0.000000e+00 1.819086e-08 ; 2.017512e-01 -1.819086e-08 2.722065e-01 4.445667e-01 0.000485 0.000060 True native_MD 4 164 170 H_AB42_18 H_AB42_19 1 0.000000e+00 1.393176e-08 ; 1.973159e-01 -1.393176e-08 1.776415e-01 3.386219e-01 0.000485 0.000060 True native_MD 5 164 172 H_AB42_18 O_AB42_19 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 182 H_AB42_18 H_AB42_20 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 184 @@ -36026,17 +36026,17 @@ CD2_AB42_17 O2_AB42_42 1 0.000000e+00 1.216871e-06 ; 2.863730e-01 -1.216871 H_AB42_18 H_AB42_42 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 355 H_AB42_18 O1_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 359 H_AB42_18 O2_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 360 - CA_AB42_18 CB_AB42_19 1 0.000000e+00 3.181323e-05 ; 3.758769e-01 -3.181323e-05 1.000000e+00 9.999866e-01 0.000485 0.000060 True native_MD 4 165 174 - CA_AB42_18 CG_AB42_19 1 0.000000e+00 1.284122e-05 ; 3.485076e-01 -1.284122e-05 7.489496e-01 7.328109e-01 0.000485 0.000060 True native_MD 5 165 175 - CA_AB42_18 CD1_AB42_19 1 0.000000e+00 1.200780e-05 ; 3.465641e-01 -1.200780e-05 5.650213e-01 4.850278e-01 0.000485 0.000060 True native_MD 6 165 176 - CA_AB42_18 CD2_AB42_19 1 0.000000e+00 1.200780e-05 ; 3.465641e-01 -1.200780e-05 5.650213e-01 4.850278e-01 0.000485 0.000060 True native_MD 6 165 177 + CA_AB42_18 CB_AB42_19 1 0.000000e+00 3.181309e-05 ; 3.758768e-01 -3.181309e-05 1.000000e+00 9.999866e-01 0.000485 0.000060 True native_MD 4 165 174 + CA_AB42_18 CG_AB42_19 1 0.000000e+00 1.284116e-05 ; 3.485074e-01 -1.284116e-05 7.489496e-01 7.328109e-01 0.000485 0.000060 True native_MD 5 165 175 + CA_AB42_18 CD1_AB42_19 1 0.000000e+00 1.200774e-05 ; 3.465640e-01 -1.200774e-05 5.650213e-01 4.850278e-01 0.000485 0.000060 True native_MD 6 165 176 + CA_AB42_18 CD2_AB42_19 1 0.000000e+00 1.200774e-05 ; 3.465640e-01 -1.200774e-05 5.650213e-01 4.850278e-01 0.000485 0.000060 True native_MD 6 165 177 CA_AB42_18 CE1_AB42_19 1 4.690608e-03 4.371165e-05 ; 4.587344e-01 1.258349e-01 2.700777e-01 2.023549e-01 0.000485 0.001933 True native_MD 7 165 178 CA_AB42_18 CE2_AB42_19 1 4.690608e-03 4.371165e-05 ; 4.587344e-01 1.258349e-01 2.700777e-01 2.023549e-01 0.000485 0.001933 True native_MD 7 165 179 CA_AB42_18 CZ_AB42_19 1 6.604279e-03 7.841718e-05 ; 4.776366e-01 1.390528e-01 1.019698e-01 5.144086e-02 0.000485 0.001933 True native_MD 7 165 180 - CA_AB42_18 C_AB42_19 1 0.000000e+00 1.305181e-05 ; 3.489803e-01 -1.305181e-05 1.000000e+00 9.999960e-01 0.000485 0.000060 True native_MD 4 165 181 - CA_AB42_18 O_AB42_19 1 0.000000e+00 3.385962e-06 ; 3.118663e-01 -3.385962e-06 6.912079e-01 5.064159e-01 0.000485 0.000060 True native_MD 5 165 182 - CA_AB42_18 N_AB42_20 1 0.000000e+00 7.638071e-06 ; 3.337416e-01 -7.638071e-06 5.539380e-01 5.622649e-01 0.000485 0.000060 True native_MD 5 165 183 - CA_AB42_18 CA_AB42_20 1 0.000000e+00 6.547686e-05 ; 3.991802e-01 -6.547686e-05 5.522134e-01 5.510101e-01 0.000485 0.000060 True native_MD 6 165 185 + CA_AB42_18 C_AB42_19 1 0.000000e+00 1.305175e-05 ; 3.489801e-01 -1.305175e-05 1.000000e+00 9.999960e-01 0.000485 0.000060 True native_MD 4 165 181 + CA_AB42_18 O_AB42_19 1 0.000000e+00 3.385989e-06 ; 3.118665e-01 -3.385989e-06 6.912079e-01 5.064159e-01 0.000485 0.000060 True native_MD 5 165 182 + CA_AB42_18 N_AB42_20 1 0.000000e+00 7.638059e-06 ; 3.337415e-01 -7.638059e-06 5.539380e-01 5.622649e-01 0.000485 0.000060 True native_MD 5 165 183 + CA_AB42_18 CA_AB42_20 1 0.000000e+00 6.547734e-05 ; 3.991804e-01 -6.547734e-05 5.522134e-01 5.510101e-01 0.000485 0.000060 True native_MD 6 165 185 CA_AB42_18 CB_AB42_20 1 5.312897e-03 9.216677e-05 ; 5.087923e-01 7.656467e-02 1.109649e-01 1.918718e-01 0.000485 0.001021 True native_MD 7 165 186 CA_AB42_18 CG_AB42_20 1 3.967147e-03 3.376025e-05 ; 4.518433e-01 1.165443e-01 5.806239e-02 5.744691e-02 0.000485 0.001933 True native_MD 7 165 187 CA_AB42_18 CD1_AB42_20 1 2.222692e-03 1.062240e-05 ; 4.104157e-01 1.162721e-01 1.080405e-01 1.077694e-01 0.000485 0.001933 True native_MD 7 165 188 @@ -36190,20 +36190,20 @@ CD2_AB42_17 O2_AB42_42 1 0.000000e+00 1.216871e-06 ; 2.863730e-01 -1.216871 CA_AB42_18 C_AB42_42 1 2.926707e-03 1.939768e-05 ; 4.334062e-01 1.103948e-01 1.624979e-03 2.696233e-04 0.000485 0.001339 True native_MD 7 165 358 CA_AB42_18 O1_AB42_42 1 6.473082e-04 1.273298e-06 ; 3.539728e-01 8.226820e-02 7.003189e-04 6.991057e-05 0.000485 0.001339 True native_MD 7 165 359 CA_AB42_18 O2_AB42_42 1 6.473082e-04 1.273298e-06 ; 3.539728e-01 8.226820e-02 7.003189e-04 6.991057e-05 0.000485 0.001339 True native_MD 7 165 360 - CB_AB42_18 C_AB42_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 166 169 + CB_AB42_18 C_AB42_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 166 169 CB_AB42_18 O_AB42_18 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 166 170 - CB_AB42_18 N_AB42_19 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 166 171 - CB_AB42_18 CA_AB42_19 1 0.000000e+00 6.555617e-05 ; 3.992205e-01 -6.555617e-05 9.999935e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 166 173 - CB_AB42_18 CB_AB42_19 1 0.000000e+00 3.084568e-05 ; 3.749107e-01 -3.084568e-05 9.466703e-01 9.162441e-01 0.000485 0.000060 True native_MD 5 166 174 - CB_AB42_18 CG_AB42_19 1 0.000000e+00 1.053714e-05 ; 3.428114e-01 -1.053714e-05 4.017059e-01 2.090343e-01 0.000485 0.000060 True native_MD 6 166 175 + CB_AB42_18 N_AB42_19 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 166 171 + CB_AB42_18 CA_AB42_19 1 0.000000e+00 6.555665e-05 ; 3.992207e-01 -6.555665e-05 9.999935e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 166 173 + CB_AB42_18 CB_AB42_19 1 0.000000e+00 3.084555e-05 ; 3.749106e-01 -3.084555e-05 9.466703e-01 9.162441e-01 0.000485 0.000060 True native_MD 5 166 174 + CB_AB42_18 CG_AB42_19 1 0.000000e+00 1.053709e-05 ; 3.428112e-01 -1.053709e-05 4.017059e-01 2.090343e-01 0.000485 0.000060 True native_MD 6 166 175 CB_AB42_18 CD1_AB42_19 1 1.708735e-03 5.218234e-06 ; 3.808975e-01 1.398833e-01 3.509664e-01 1.727061e-01 0.000485 0.001933 True native_MD 7 166 176 CB_AB42_18 CD2_AB42_19 1 1.708735e-03 5.218234e-06 ; 3.808975e-01 1.398833e-01 3.509664e-01 1.727061e-01 0.000485 0.001933 True native_MD 7 166 177 CB_AB42_18 CE1_AB42_19 1 2.175064e-03 7.867614e-06 ; 3.917977e-01 1.503284e-01 2.784048e-01 1.002231e-01 0.000485 0.001933 True native_MD 7 166 178 CB_AB42_18 CE2_AB42_19 1 2.175064e-03 7.867614e-06 ; 3.917977e-01 1.503284e-01 2.784048e-01 1.002231e-01 0.000485 0.001933 True native_MD 7 166 179 CB_AB42_18 CZ_AB42_19 1 3.395385e-03 1.776286e-05 ; 4.166493e-01 1.622577e-01 2.418919e-01 6.093566e-02 0.000485 0.001933 True native_MD 7 166 180 - CB_AB42_18 C_AB42_19 1 0.000000e+00 1.222103e-05 ; 3.470729e-01 -1.222103e-05 7.529590e-01 6.893027e-01 0.000485 0.000060 True native_MD 5 166 181 - CB_AB42_18 O_AB42_19 1 0.000000e+00 4.493100e-06 ; 3.193061e-01 -4.493100e-06 1.644177e-01 2.461814e-01 0.000485 0.000060 True native_MD 6 166 182 - CB_AB42_18 N_AB42_20 1 0.000000e+00 8.186817e-06 ; 3.356767e-01 -8.186817e-06 1.789454e-01 2.597141e-01 0.000485 0.000060 True native_MD 6 166 183 + CB_AB42_18 C_AB42_19 1 0.000000e+00 1.222097e-05 ; 3.470727e-01 -1.222097e-05 7.529590e-01 6.893027e-01 0.000485 0.000060 True native_MD 5 166 181 + CB_AB42_18 O_AB42_19 1 0.000000e+00 4.493135e-06 ; 3.193063e-01 -4.493135e-06 1.644177e-01 2.461814e-01 0.000485 0.000060 True native_MD 6 166 182 + CB_AB42_18 N_AB42_20 1 0.000000e+00 8.186804e-06 ; 3.356767e-01 -8.186804e-06 1.789454e-01 2.597141e-01 0.000485 0.000060 True native_MD 6 166 183 CB_AB42_18 CA_AB42_20 1 5.613416e-03 9.753981e-05 ; 5.089312e-01 8.076303e-02 2.270828e-01 2.993819e-01 0.000485 0.000883 True native_MD 7 166 185 CB_AB42_18 CB_AB42_20 1 3.191372e-03 3.576761e-05 ; 4.730628e-01 7.118767e-02 7.690535e-02 1.561943e-01 0.000485 0.001021 True native_MD 7 166 186 CB_AB42_18 CG_AB42_20 1 3.429678e-03 2.435903e-05 ; 4.384309e-01 1.207221e-01 8.365987e-02 7.304520e-02 0.000485 0.001933 True native_MD 7 166 187 @@ -36212,53 +36212,53 @@ CD2_AB42_17 O2_AB42_42 1 0.000000e+00 1.216871e-06 ; 2.863730e-01 -1.216871 CB_AB42_18 CE1_AB42_20 1 1.287376e-03 3.220655e-06 ; 3.684454e-01 1.286490e-01 1.610707e-01 1.109348e-01 0.000485 0.001933 True native_MD 7 166 190 CB_AB42_18 CE2_AB42_20 1 1.287376e-03 3.220655e-06 ; 3.684454e-01 1.286490e-01 1.610707e-01 1.109348e-01 0.000485 0.001933 True native_MD 7 166 191 CB_AB42_18 CZ_AB42_20 1 1.287709e-03 3.124260e-06 ; 3.665683e-01 1.326870e-01 1.722415e-01 1.051256e-01 0.000485 0.001933 True native_MD 7 166 192 - CB_AB42_18 C_AB42_20 1 0.000000e+00 1.359616e-05 ; 3.501706e-01 -1.359616e-05 5.957966e-02 1.012825e-01 0.000485 0.000060 True native_MD 7 166 193 + CB_AB42_18 C_AB42_20 1 0.000000e+00 1.359609e-05 ; 3.501705e-01 -1.359609e-05 5.957966e-02 1.012825e-01 0.000485 0.000060 True native_MD 7 166 193 CB_AB42_18 O_AB42_20 1 7.700312e-04 1.614553e-06 ; 3.577591e-01 9.181302e-02 7.050510e-02 9.007925e-02 0.000485 0.001191 True native_MD 7 166 194 - CB_AB42_18 N_AB42_21 1 0.000000e+00 7.816838e-06 ; 3.343856e-01 -7.816838e-06 3.213674e-02 6.406326e-02 0.000485 0.000060 True native_MD 7 166 195 + CB_AB42_18 N_AB42_21 1 0.000000e+00 7.816826e-06 ; 3.343856e-01 -7.816826e-06 3.213674e-02 6.406326e-02 0.000485 0.000060 True native_MD 7 166 195 CB_AB42_18 CA_AB42_21 1 4.878075e-03 6.454018e-05 ; 4.863291e-01 9.217364e-02 1.404693e-01 1.316203e-01 0.000485 0.000883 True native_MD 7 166 197 CB_AB42_18 CB_AB42_21 1 2.742181e-03 1.341672e-05 ; 4.120264e-01 1.401154e-01 2.319159e-01 1.133249e-01 0.000485 0.001932 True native_MD 7 166 198 - CB_AB42_18 C_AB42_21 1 0.000000e+00 1.300024e-05 ; 3.488652e-01 -1.300024e-05 1.514453e-02 1.118938e-02 0.000485 0.000060 True native_MD 7 166 199 + CB_AB42_18 C_AB42_21 1 0.000000e+00 1.300018e-05 ; 3.488650e-01 -1.300018e-05 1.514453e-02 1.118938e-02 0.000485 0.000060 True native_MD 7 166 199 CB_AB42_18 O_AB42_21 1 8.824219e-04 1.794497e-06 ; 3.559408e-01 1.084801e-01 1.261719e-02 9.789284e-03 0.000485 0.001191 True native_MD 7 166 200 - CB_AB42_18 N_AB42_22 1 0.000000e+00 7.551791e-06 ; 3.334258e-01 -7.551791e-06 7.689233e-03 4.626022e-03 0.000485 0.000060 True native_MD 7 166 201 + CB_AB42_18 N_AB42_22 1 0.000000e+00 7.551779e-06 ; 3.334257e-01 -7.551779e-06 7.689233e-03 4.626022e-03 0.000485 0.000060 True native_MD 7 166 201 CB_AB42_18 CA_AB42_22 1 3.464431e-03 2.690097e-05 ; 4.449959e-01 1.115414e-01 3.145908e-02 1.651093e-02 0.000485 0.000883 True native_MD 7 166 203 CB_AB42_18 CB_AB42_22 1 2.979338e-03 1.850861e-05 ; 4.287548e-01 1.198963e-01 3.427361e-02 1.620387e-02 0.000485 0.001021 True native_MD 7 166 204 CB_AB42_18 CG_AB42_22 1 2.513121e-03 1.574436e-05 ; 4.293571e-01 1.002863e-01 3.174826e-02 2.699248e-02 0.000485 0.001021 True native_MD 7 166 205 - CB_AB42_18 CD_AB42_22 1 0.000000e+00 1.308311e-05 ; 3.490500e-01 -1.308311e-05 1.500525e-02 1.739919e-02 0.000485 0.000060 True native_MD 7 166 206 - CB_AB42_18 OE1_AB42_22 1 0.000000e+00 3.374312e-06 ; 3.117768e-01 -3.374312e-06 6.368808e-03 9.968450e-03 0.000485 0.000060 True native_MD 7 166 207 - CB_AB42_18 OE2_AB42_22 1 0.000000e+00 3.374312e-06 ; 3.117768e-01 -3.374312e-06 6.368808e-03 9.968450e-03 0.000485 0.000060 True native_MD 7 166 208 - CB_AB42_18 C_AB42_22 1 0.000000e+00 1.295567e-05 ; 3.487653e-01 -1.295567e-05 9.630821e-03 2.260550e-03 0.000485 0.000060 True native_MD 7 166 209 + CB_AB42_18 CD_AB42_22 1 0.000000e+00 1.308304e-05 ; 3.490498e-01 -1.308304e-05 1.500525e-02 1.739919e-02 0.000485 0.000060 True native_MD 7 166 206 + CB_AB42_18 OE1_AB42_22 1 0.000000e+00 3.374340e-06 ; 3.117770e-01 -3.374340e-06 6.368808e-03 9.968450e-03 0.000485 0.000060 True native_MD 7 166 207 + CB_AB42_18 OE2_AB42_22 1 0.000000e+00 3.374340e-06 ; 3.117770e-01 -3.374340e-06 6.368808e-03 9.968450e-03 0.000485 0.000060 True native_MD 7 166 208 + CB_AB42_18 C_AB42_22 1 0.000000e+00 1.295560e-05 ; 3.487652e-01 -1.295560e-05 9.630821e-03 2.260550e-03 0.000485 0.000060 True native_MD 7 166 209 CB_AB42_18 O_AB42_22 1 1.123803e-03 2.299167e-06 ; 3.562980e-01 1.373250e-01 9.168478e-03 3.000524e-03 0.000485 0.001191 True native_MD 7 166 210 - CB_AB42_18 N_AB42_23 1 0.000000e+00 7.555802e-06 ; 3.334405e-01 -7.555802e-06 3.775088e-03 1.241450e-03 0.000485 0.000060 True native_MD 7 166 211 + CB_AB42_18 N_AB42_23 1 0.000000e+00 7.555791e-06 ; 3.334405e-01 -7.555791e-06 3.775088e-03 1.241450e-03 0.000485 0.000060 True native_MD 7 166 211 CB_AB42_18 CA_AB42_23 1 4.577607e-03 4.905293e-05 ; 4.695384e-01 1.067953e-01 2.381516e-02 1.440664e-02 0.000485 0.000883 True native_MD 7 166 213 CB_AB42_18 CB_AB42_23 1 2.091364e-03 9.653090e-06 ; 4.080432e-01 1.132746e-01 2.814801e-02 1.622430e-02 0.000485 0.001021 True native_MD 7 166 214 - CB_AB42_18 CG_AB42_23 1 0.000000e+00 1.297075e-05 ; 3.487992e-01 -1.297075e-05 1.903517e-02 1.282018e-02 0.000485 0.000060 True native_MD 7 166 215 - CB_AB42_18 OD1_AB42_23 1 0.000000e+00 3.355459e-06 ; 3.116312e-01 -3.355459e-06 9.665826e-03 7.658061e-03 0.000485 0.000060 True native_MD 7 166 216 - CB_AB42_18 OD2_AB42_23 1 0.000000e+00 3.355459e-06 ; 3.116312e-01 -3.355459e-06 9.665826e-03 7.658061e-03 0.000485 0.000060 True native_MD 7 166 217 - CB_AB42_18 C_AB42_23 1 0.000000e+00 1.295950e-05 ; 3.487739e-01 -1.295950e-05 1.024042e-02 3.163875e-03 0.000485 0.000060 True native_MD 7 166 218 + CB_AB42_18 CG_AB42_23 1 0.000000e+00 1.297068e-05 ; 3.487990e-01 -1.297068e-05 1.903517e-02 1.282018e-02 0.000485 0.000060 True native_MD 7 166 215 + CB_AB42_18 OD1_AB42_23 1 0.000000e+00 3.355486e-06 ; 3.116315e-01 -3.355486e-06 9.665826e-03 7.658061e-03 0.000485 0.000060 True native_MD 7 166 216 + CB_AB42_18 OD2_AB42_23 1 0.000000e+00 3.355486e-06 ; 3.116315e-01 -3.355486e-06 9.665826e-03 7.658061e-03 0.000485 0.000060 True native_MD 7 166 217 + CB_AB42_18 C_AB42_23 1 0.000000e+00 1.295944e-05 ; 3.487738e-01 -1.295944e-05 1.024042e-02 3.163875e-03 0.000485 0.000060 True native_MD 7 166 218 CB_AB42_18 O_AB42_23 1 1.558979e-03 5.134130e-06 ; 3.857191e-01 1.183460e-01 7.404146e-03 4.276006e-03 0.000485 0.001191 True native_MD 7 166 219 - CB_AB42_18 N_AB42_24 1 0.000000e+00 7.546160e-06 ; 3.334050e-01 -7.546160e-06 4.707381e-03 9.007720e-04 0.000485 0.000060 True native_MD 7 166 220 + CB_AB42_18 N_AB42_24 1 0.000000e+00 7.546148e-06 ; 3.334050e-01 -7.546148e-06 4.707381e-03 9.007720e-04 0.000485 0.000060 True native_MD 7 166 220 CB_AB42_18 CA_AB42_24 1 4.755939e-03 4.751136e-05 ; 4.640807e-01 1.190187e-01 2.451696e-02 1.028755e-02 0.000485 0.000883 True native_MD 7 166 222 CB_AB42_18 CB_AB42_24 1 3.831099e-03 3.449251e-05 ; 4.561072e-01 1.063805e-01 3.030720e-02 1.856290e-02 0.000485 0.000883 True native_MD 7 166 223 CB_AB42_18 CG1_AB42_24 1 2.160191e-03 8.802620e-06 ; 3.996563e-01 1.325294e-01 2.419672e-02 1.483690e-02 0.000485 0.001932 True native_MD 7 166 224 CB_AB42_18 CG2_AB42_24 1 1.655591e-03 5.219668e-06 ; 3.829261e-01 1.312815e-01 2.524679e-02 1.606987e-02 0.000485 0.001932 True native_MD 7 166 225 - CB_AB42_18 C_AB42_24 1 0.000000e+00 1.296552e-05 ; 3.487874e-01 -1.296552e-05 1.010386e-02 3.488584e-03 0.000485 0.000060 True native_MD 7 166 226 + CB_AB42_18 C_AB42_24 1 0.000000e+00 1.296546e-05 ; 3.487873e-01 -1.296546e-05 1.010386e-02 3.488584e-03 0.000485 0.000060 True native_MD 7 166 226 CB_AB42_18 O_AB42_24 1 1.641509e-03 4.640088e-06 ; 3.760225e-01 1.451778e-01 1.154210e-02 2.986245e-03 0.000485 0.001191 True native_MD 7 166 227 - CB_AB42_18 N_AB42_25 1 0.000000e+00 7.563131e-06 ; 3.334675e-01 -7.563131e-06 3.992578e-03 2.426356e-03 0.000485 0.000060 True native_MD 7 166 228 + CB_AB42_18 N_AB42_25 1 0.000000e+00 7.563119e-06 ; 3.334674e-01 -7.563119e-06 3.992578e-03 2.426356e-03 0.000485 0.000060 True native_MD 7 166 228 CB_AB42_18 CA_AB42_25 1 1.885789e-03 7.683218e-06 ; 3.996456e-01 1.157132e-01 1.470005e-02 7.876692e-03 0.000485 0.001021 True native_MD 7 166 230 - CB_AB42_18 C_AB42_25 1 0.000000e+00 1.291697e-05 ; 3.486784e-01 -1.291697e-05 1.371910e-02 3.383658e-03 0.000485 0.000060 True native_MD 7 166 231 + CB_AB42_18 C_AB42_25 1 0.000000e+00 1.291690e-05 ; 3.486783e-01 -1.291690e-05 1.371910e-02 3.383658e-03 0.000485 0.000060 True native_MD 7 166 231 CB_AB42_18 O_AB42_25 1 9.666080e-04 1.629324e-06 ; 3.449791e-01 1.433618e-01 1.069703e-02 2.922171e-03 0.000485 0.001191 True native_MD 7 166 232 CB_AB42_18 N_AB42_26 1 1.100377e-03 4.046870e-06 ; 3.928828e-01 7.480032e-02 9.268835e-03 9.882581e-04 0.000485 0.000060 True native_MD 7 166 233 CB_AB42_18 CA_AB42_26 1 3.952750e-03 2.791839e-05 ; 4.380246e-01 1.399098e-01 3.320889e-02 7.457346e-03 0.000485 0.000883 True native_MD 7 166 235 CB_AB42_18 CB_AB42_26 1 2.332629e-03 1.026203e-05 ; 4.047914e-01 1.325555e-01 2.637764e-02 8.538208e-03 0.000485 0.001021 True native_MD 7 166 236 - CB_AB42_18 OG_AB42_26 1 0.000000e+00 5.652474e-06 ; 3.254729e-01 -5.652474e-06 1.890623e-02 4.389548e-03 0.000485 0.000060 True native_MD 7 166 237 + CB_AB42_18 OG_AB42_26 1 0.000000e+00 5.652455e-06 ; 3.254728e-01 -5.652455e-06 1.890623e-02 4.389548e-03 0.000485 0.000060 True native_MD 7 166 237 CB_AB42_18 C_AB42_26 1 3.871696e-03 3.318488e-05 ; 4.523832e-01 1.129282e-01 4.151846e-02 1.414332e-03 0.000485 0.000060 True native_MD 7 166 238 CB_AB42_18 O_AB42_26 1 1.551547e-03 2.669129e-06 ; 3.461525e-01 2.254761e-01 7.357159e-02 1.721630e-03 0.000485 0.001191 True native_MD 7 166 239 CB_AB42_18 N_AB42_27 1 3.235294e-03 2.546345e-05 ; 4.459990e-01 1.027662e-01 5.059912e-03 2.336283e-04 0.000485 0.000060 True native_MD 7 166 240 CB_AB42_18 CA_AB42_27 1 7.380392e-03 6.735159e-05 ; 4.571353e-01 2.021860e-01 7.998761e-02 2.785932e-03 0.000485 0.000883 True native_MD 7 166 242 CB_AB42_18 CB_AB42_27 1 7.006769e-03 7.016156e-05 ; 4.642625e-01 1.749349e-01 3.369455e-02 3.068320e-03 0.000485 0.001021 True native_MD 7 166 243 - CB_AB42_18 CG_AB42_27 1 0.000000e+00 1.285486e-05 ; 3.485384e-01 -1.285486e-05 1.834088e-02 3.246925e-03 0.000485 0.000060 True native_MD 7 166 244 + CB_AB42_18 CG_AB42_27 1 0.000000e+00 1.285479e-05 ; 3.485382e-01 -1.285479e-05 1.834088e-02 3.246925e-03 0.000485 0.000060 True native_MD 7 166 244 CB_AB42_18 OD1_AB42_27 1 1.649314e-03 4.292515e-06 ; 3.708811e-01 1.584291e-01 1.713232e-02 2.981492e-03 0.000485 0.001191 True native_MD 7 166 245 - CB_AB42_18 ND2_AB42_27 1 0.000000e+00 1.289949e-05 ; 3.486391e-01 -1.289949e-05 1.559052e-02 4.375782e-03 0.000485 0.000060 True native_MD 7 166 246 + CB_AB42_18 ND2_AB42_27 1 0.000000e+00 1.289957e-05 ; 3.486392e-01 -1.289957e-05 1.559052e-02 4.375782e-03 0.000485 0.000060 True native_MD 7 166 246 CB_AB42_18 C_AB42_27 1 4.210285e-03 3.197726e-05 ; 4.433584e-01 1.385868e-01 5.746632e-02 9.083384e-04 0.000485 0.000060 True native_MD 7 166 247 CB_AB42_18 O_AB42_27 1 2.531474e-03 7.085365e-06 ; 3.754033e-01 2.261125e-01 5.185525e-02 1.072102e-03 0.000485 0.001191 True native_MD 7 166 248 CB_AB42_18 N_AB42_28 1 3.233176e-03 2.303768e-05 ; 4.386669e-01 1.134383e-01 9.286446e-03 3.115512e-04 0.000485 0.000060 True native_MD 7 166 249 @@ -36267,7 +36267,7 @@ CD2_AB42_17 O2_AB42_42 1 0.000000e+00 1.216871e-06 ; 2.863730e-01 -1.216871 CB_AB42_18 CG_AB42_28 1 2.930115e-03 1.519771e-05 ; 4.160533e-01 1.412313e-01 9.260786e-03 2.312185e-03 0.000485 0.001021 True native_MD 7 166 253 CB_AB42_18 CD_AB42_28 1 2.684679e-03 1.578962e-05 ; 4.248607e-01 1.141177e-01 8.179748e-03 4.597280e-03 0.000485 0.001021 True native_MD 7 166 254 CB_AB42_18 CE_AB42_28 1 2.312341e-03 1.338879e-05 ; 4.237551e-01 9.983947e-02 6.905202e-03 5.949865e-03 0.000485 0.001021 True native_MD 7 166 255 - CB_AB42_18 NZ_AB42_28 1 0.000000e+00 7.583593e-06 ; 3.335426e-01 -7.583593e-06 2.062060e-03 3.197116e-03 0.000485 0.000060 True native_MD 7 166 256 + CB_AB42_18 NZ_AB42_28 1 0.000000e+00 7.583581e-06 ; 3.335425e-01 -7.583581e-06 2.062060e-03 3.197116e-03 0.000485 0.000060 True native_MD 7 166 256 CB_AB42_18 C_AB42_28 1 2.203995e-03 1.380051e-05 ; 4.293196e-01 8.799664e-02 1.941651e-02 1.394788e-03 0.000485 0.000060 True native_MD 7 166 257 CB_AB42_18 O_AB42_28 1 1.408930e-03 2.783282e-06 ; 3.542240e-01 1.783041e-01 1.468161e-02 1.409555e-03 0.000485 0.001191 True native_MD 7 166 258 CB_AB42_18 N_AB42_29 1 2.828208e-03 1.542617e-05 ; 4.195572e-01 1.296297e-01 3.454492e-02 7.138886e-04 0.000485 0.000060 True native_MD 7 166 259 @@ -36355,23 +36355,23 @@ CD2_AB42_17 O2_AB42_42 1 0.000000e+00 1.216871e-06 ; 2.863730e-01 -1.216871 CB_AB42_18 N_AB42_42 1 2.325392e-03 1.118927e-05 ; 4.108825e-01 1.208176e-01 4.845808e-03 1.303586e-04 0.000485 0.000060 True native_MD 7 166 354 CB_AB42_18 CA_AB42_42 1 3.854783e-03 2.149268e-05 ; 4.210966e-01 1.728420e-01 1.720230e-02 1.441810e-03 0.000485 0.000883 True native_MD 7 166 356 CB_AB42_18 CB_AB42_42 1 2.968818e-03 1.151994e-05 ; 3.964098e-01 1.912745e-01 1.828160e-02 1.432663e-03 0.000485 0.001932 True native_MD 7 166 357 - CB_AB42_18 C_AB42_42 1 0.000000e+00 1.303405e-05 ; 3.489407e-01 -1.303405e-05 2.080026e-03 7.148684e-04 0.000485 0.000060 True native_MD 7 166 358 - CB_AB42_18 O1_AB42_42 1 0.000000e+00 3.361614e-06 ; 3.116788e-01 -3.361614e-06 6.609628e-04 4.839272e-04 0.000485 0.000060 True native_MD 7 166 359 - CB_AB42_18 O2_AB42_42 1 0.000000e+00 3.361614e-06 ; 3.116788e-01 -3.361614e-06 6.609628e-04 4.839272e-04 0.000485 0.000060 True native_MD 7 166 360 -CG1_AB42_18 C_AB42_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 169 + CB_AB42_18 C_AB42_42 1 0.000000e+00 1.303398e-05 ; 3.489405e-01 -1.303398e-05 2.080026e-03 7.148684e-04 0.000485 0.000060 True native_MD 7 166 358 + CB_AB42_18 O1_AB42_42 1 0.000000e+00 3.361641e-06 ; 3.116791e-01 -3.361641e-06 6.609628e-04 4.839272e-04 0.000485 0.000060 True native_MD 7 166 359 + CB_AB42_18 O2_AB42_42 1 0.000000e+00 3.361641e-06 ; 3.116791e-01 -3.361641e-06 6.609628e-04 4.839272e-04 0.000485 0.000060 True native_MD 7 166 360 +CG1_AB42_18 C_AB42_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 169 CG1_AB42_18 O_AB42_18 1 0.000000e+00 1.374394e-06 ; 2.892928e-01 -1.374394e-06 9.828324e-01 8.966632e-01 0.000485 0.000060 True native_MD 4 167 170 -CG1_AB42_18 N_AB42_19 1 0.000000e+00 2.671708e-06 ; 3.057694e-01 -2.671708e-06 9.923878e-01 9.664236e-01 0.000485 0.000060 True native_MD 4 167 171 -CG1_AB42_18 CA_AB42_19 1 0.000000e+00 1.896156e-05 ; 3.600127e-01 -1.896156e-05 9.202817e-01 7.190697e-01 0.000485 0.000060 True native_MD 5 167 173 -CG1_AB42_18 CB_AB42_19 1 0.000000e+00 9.581595e-06 ; 3.401064e-01 -9.581595e-06 3.452090e-01 1.769584e-01 0.000485 0.000060 True native_MD 6 167 174 +CG1_AB42_18 N_AB42_19 1 0.000000e+00 2.671683e-06 ; 3.057692e-01 -2.671683e-06 9.923878e-01 9.664236e-01 0.000485 0.000060 True native_MD 4 167 171 +CG1_AB42_18 CA_AB42_19 1 0.000000e+00 1.896155e-05 ; 3.600127e-01 -1.896155e-05 9.202817e-01 7.190697e-01 0.000485 0.000060 True native_MD 5 167 173 +CG1_AB42_18 CB_AB42_19 1 0.000000e+00 9.581479e-06 ; 3.401061e-01 -9.581479e-06 3.452090e-01 1.769584e-01 0.000485 0.000060 True native_MD 6 167 174 CG1_AB42_18 CG_AB42_19 1 2.331855e-03 7.129053e-06 ; 3.809679e-01 1.906827e-01 2.460442e-01 7.281196e-02 0.000485 0.005315 True native_MD 7 167 175 CG1_AB42_18 CD1_AB42_19 1 1.389307e-03 2.522611e-06 ; 3.492813e-01 1.912874e-01 2.326883e-01 6.762473e-02 0.000485 0.005315 True native_MD 7 167 176 CG1_AB42_18 CD2_AB42_19 1 1.389307e-03 2.522611e-06 ; 3.492813e-01 1.912874e-01 2.326883e-01 6.762473e-02 0.000485 0.005315 True native_MD 7 167 177 CG1_AB42_18 CE1_AB42_19 1 1.225098e-03 1.922272e-06 ; 3.408846e-01 1.951941e-01 2.159750e-01 5.584196e-02 0.000485 0.005315 True native_MD 7 167 178 CG1_AB42_18 CE2_AB42_19 1 1.225098e-03 1.922272e-06 ; 3.408846e-01 1.951941e-01 2.159750e-01 5.584196e-02 0.000485 0.005315 True native_MD 7 167 179 CG1_AB42_18 CZ_AB42_19 1 1.429335e-03 2.537332e-06 ; 3.479690e-01 2.012939e-01 2.092416e-01 4.507416e-02 0.000485 0.005315 True native_MD 7 167 180 -CG1_AB42_18 C_AB42_19 1 0.000000e+00 4.457962e-06 ; 3.190972e-01 -4.457962e-06 3.205768e-01 2.638381e-01 0.000485 0.000060 True native_MD 6 167 181 +CG1_AB42_18 C_AB42_19 1 0.000000e+00 4.457904e-06 ; 3.190969e-01 -4.457904e-06 3.205768e-01 2.638381e-01 0.000485 0.000060 True native_MD 6 167 181 CG1_AB42_18 O_AB42_19 1 5.563105e-04 7.113357e-07 ; 3.294526e-01 1.087677e-01 1.733649e-01 1.333553e-01 0.000485 0.001191 True native_MD 7 167 182 -CG1_AB42_18 N_AB42_20 1 0.000000e+00 2.652167e-06 ; 3.055824e-01 -2.652167e-06 1.646410e-01 1.315524e-01 0.000485 0.000060 True native_MD 7 167 183 +CG1_AB42_18 N_AB42_20 1 0.000000e+00 2.652141e-06 ; 3.055822e-01 -2.652141e-06 1.646410e-01 1.315524e-01 0.000485 0.000060 True native_MD 7 167 183 CG1_AB42_18 CA_AB42_20 1 2.629267e-03 1.384163e-05 ; 4.170858e-01 1.248597e-01 2.227219e-01 1.718030e-01 0.000485 0.001932 True native_MD 7 167 185 CG1_AB42_18 CB_AB42_20 1 1.447129e-03 4.319253e-06 ; 3.794462e-01 1.212120e-01 1.035602e-01 1.075183e-01 0.000485 0.002332 True native_MD 7 167 186 CG1_AB42_18 CG_AB42_20 1 2.326595e-03 7.905654e-06 ; 3.877360e-01 1.711763e-01 1.227000e-01 6.509575e-02 0.000485 0.005315 True native_MD 7 167 187 @@ -36380,63 +36380,63 @@ CG1_AB42_18 CD2_AB42_20 1 1.267410e-03 2.378588e-06 ; 3.512101e-01 1.688322 CG1_AB42_18 CE1_AB42_20 1 7.787339e-04 8.826826e-07 ; 3.229009e-01 1.717567e-01 1.504818e-01 7.846018e-02 0.000485 0.005315 True native_MD 7 167 190 CG1_AB42_18 CE2_AB42_20 1 7.787339e-04 8.826826e-07 ; 3.229009e-01 1.717567e-01 1.504818e-01 7.846018e-02 0.000485 0.005315 True native_MD 7 167 191 CG1_AB42_18 CZ_AB42_20 1 7.562175e-04 8.192680e-07 ; 3.204768e-01 1.745049e-01 1.586912e-01 7.620805e-02 0.000485 0.005315 True native_MD 7 167 192 -CG1_AB42_18 C_AB42_20 1 0.000000e+00 4.678420e-06 ; 3.203833e-01 -4.678420e-06 8.994505e-02 7.985316e-02 0.000485 0.000060 True native_MD 7 167 193 +CG1_AB42_18 C_AB42_20 1 0.000000e+00 4.678359e-06 ; 3.203830e-01 -4.678359e-06 8.994505e-02 7.985316e-02 0.000485 0.000060 True native_MD 7 167 193 CG1_AB42_18 O_AB42_20 1 3.094381e-04 2.172327e-07 ; 2.981205e-01 1.101951e-01 8.290577e-02 6.110574e-02 0.000485 0.001191 True native_MD 7 167 194 -CG1_AB42_18 N_AB42_21 1 0.000000e+00 2.752695e-06 ; 3.065313e-01 -2.752695e-06 4.686113e-02 5.042278e-02 0.000485 0.000060 True native_MD 7 167 195 +CG1_AB42_18 N_AB42_21 1 0.000000e+00 2.752669e-06 ; 3.065311e-01 -2.752669e-06 4.686113e-02 5.042278e-02 0.000485 0.000060 True native_MD 7 167 195 CG1_AB42_18 CA_AB42_21 1 1.405084e-03 4.221961e-06 ; 3.798703e-01 1.169042e-01 8.629878e-02 8.446316e-02 0.000485 0.001932 True native_MD 7 167 197 CG1_AB42_18 CB_AB42_21 1 1.228077e-03 2.319259e-06 ; 3.515771e-01 1.625705e-01 9.960647e-02 6.835999e-02 0.000485 0.005315 True native_MD 7 167 198 -CG1_AB42_18 C_AB42_21 1 0.000000e+00 4.682341e-06 ; 3.204057e-01 -4.682341e-06 1.933036e-02 1.006796e-02 0.000485 0.000060 True native_MD 7 167 199 +CG1_AB42_18 C_AB42_21 1 0.000000e+00 4.682279e-06 ; 3.204054e-01 -4.682279e-06 1.933036e-02 1.006796e-02 0.000485 0.000060 True native_MD 7 167 199 CG1_AB42_18 O_AB42_21 1 3.180367e-04 2.106427e-07 ; 2.952421e-01 1.200461e-01 1.242079e-02 6.817376e-03 0.000485 0.001191 True native_MD 7 167 200 -CG1_AB42_18 N_AB42_22 1 0.000000e+00 2.714679e-06 ; 3.061763e-01 -2.714679e-06 1.533341e-02 5.035138e-03 0.000485 0.000060 True native_MD 7 167 201 +CG1_AB42_18 N_AB42_22 1 0.000000e+00 2.714653e-06 ; 3.061760e-01 -2.714653e-06 1.533341e-02 5.035138e-03 0.000485 0.000060 True native_MD 7 167 201 CG1_AB42_18 CA_AB42_22 1 2.193333e-03 7.877576e-06 ; 3.913344e-01 1.526710e-01 3.896151e-02 1.307524e-02 0.000485 0.001932 True native_MD 7 167 203 CG1_AB42_18 CB_AB42_22 1 1.130540e-03 2.028345e-06 ; 3.485855e-01 1.575324e-01 3.746710e-02 1.311885e-02 0.000485 0.002332 True native_MD 7 167 204 CG1_AB42_18 CG_AB42_22 1 1.316030e-03 3.057472e-06 ; 3.639286e-01 1.416149e-01 3.562418e-02 2.008470e-02 0.000485 0.002332 True native_MD 7 167 205 -CG1_AB42_18 CD_AB42_22 1 0.000000e+00 4.716330e-06 ; 3.205989e-01 -4.716330e-06 1.755399e-02 1.548345e-02 0.000485 0.000060 True native_MD 7 167 206 +CG1_AB42_18 CD_AB42_22 1 0.000000e+00 4.716268e-06 ; 3.205985e-01 -4.716268e-06 1.755399e-02 1.548345e-02 0.000485 0.000060 True native_MD 7 167 206 CG1_AB42_18 OE1_AB42_22 1 0.000000e+00 1.219775e-06 ; 2.864299e-01 -1.219775e-06 7.484368e-03 9.381693e-03 0.000485 0.000060 True native_MD 7 167 207 CG1_AB42_18 OE2_AB42_22 1 0.000000e+00 1.219775e-06 ; 2.864299e-01 -1.219775e-06 7.484368e-03 9.381693e-03 0.000485 0.000060 True native_MD 7 167 208 -CG1_AB42_18 C_AB42_22 1 0.000000e+00 4.661475e-06 ; 3.202865e-01 -4.661475e-06 1.646279e-02 2.785373e-03 0.000485 0.000060 True native_MD 7 167 209 +CG1_AB42_18 C_AB42_22 1 0.000000e+00 4.661414e-06 ; 3.202861e-01 -4.661414e-06 1.646279e-02 2.785373e-03 0.000485 0.000060 True native_MD 7 167 209 CG1_AB42_18 O_AB42_22 1 4.413582e-04 3.215346e-07 ; 2.999665e-01 1.514589e-01 1.459236e-02 3.128465e-03 0.000485 0.001191 True native_MD 7 167 210 -CG1_AB42_18 N_AB42_23 1 0.000000e+00 2.723717e-06 ; 3.062611e-01 -2.723717e-06 9.141765e-03 2.138768e-03 0.000485 0.000060 True native_MD 7 167 211 +CG1_AB42_18 N_AB42_23 1 0.000000e+00 2.723692e-06 ; 3.062609e-01 -2.723692e-06 9.141765e-03 2.138768e-03 0.000485 0.000060 True native_MD 7 167 211 CG1_AB42_18 CA_AB42_23 1 3.368983e-03 1.921445e-05 ; 4.226896e-01 1.476759e-01 3.201075e-02 1.247466e-02 0.000485 0.001932 True native_MD 7 167 213 CG1_AB42_18 CB_AB42_23 1 9.548685e-04 1.613130e-06 ; 3.451074e-01 1.413050e-01 2.751559e-02 1.565763e-02 0.000485 0.002332 True native_MD 7 167 214 -CG1_AB42_18 CG_AB42_23 1 0.000000e+00 4.681159e-06 ; 3.203990e-01 -4.681159e-06 2.147224e-02 1.195979e-02 0.000485 0.000060 True native_MD 7 167 215 +CG1_AB42_18 CG_AB42_23 1 0.000000e+00 4.681098e-06 ; 3.203986e-01 -4.681098e-06 2.147224e-02 1.195979e-02 0.000485 0.000060 True native_MD 7 167 215 CG1_AB42_18 OD1_AB42_23 1 0.000000e+00 1.213694e-06 ; 2.863106e-01 -1.213694e-06 1.090286e-02 7.805280e-03 0.000485 0.000060 True native_MD 7 167 216 CG1_AB42_18 OD2_AB42_23 1 0.000000e+00 1.213694e-06 ; 2.863106e-01 -1.213694e-06 1.090286e-02 7.805280e-03 0.000485 0.000060 True native_MD 7 167 217 -CG1_AB42_18 C_AB42_23 1 0.000000e+00 4.675996e-06 ; 3.203695e-01 -4.675996e-06 1.484336e-02 4.238587e-03 0.000485 0.000060 True native_MD 7 167 218 +CG1_AB42_18 C_AB42_23 1 0.000000e+00 4.675935e-06 ; 3.203692e-01 -4.675935e-06 1.484336e-02 4.238587e-03 0.000485 0.000060 True native_MD 7 167 218 CG1_AB42_18 O_AB42_23 1 5.129837e-04 5.208228e-07 ; 3.170281e-01 1.263156e-01 1.027791e-02 4.676160e-03 0.000485 0.001191 True native_MD 7 167 219 -CG1_AB42_18 N_AB42_24 1 0.000000e+00 2.721570e-06 ; 3.062410e-01 -2.721570e-06 9.562706e-03 1.776895e-03 0.000485 0.000060 True native_MD 7 167 220 +CG1_AB42_18 N_AB42_24 1 0.000000e+00 2.721545e-06 ; 3.062407e-01 -2.721545e-06 9.562706e-03 1.776895e-03 0.000485 0.000060 True native_MD 7 167 220 CG1_AB42_18 CA_AB42_24 1 2.104148e-03 7.383663e-06 ; 3.898216e-01 1.499065e-01 2.439898e-02 8.894350e-03 0.000485 0.001932 True native_MD 7 167 222 CG1_AB42_18 CB_AB42_24 1 1.978582e-03 7.172245e-06 ; 3.919375e-01 1.364561e-01 2.674528e-02 1.458144e-02 0.000485 0.001932 True native_MD 7 167 223 CG1_AB42_18 CG1_AB42_24 1 1.120013e-03 1.891740e-06 ; 3.450959e-01 1.657771e-01 1.964679e-02 1.224985e-02 0.000485 0.005315 True native_MD 7 167 224 CG1_AB42_18 CG2_AB42_24 1 1.267656e-03 2.374960e-06 ; 3.511094e-01 1.691557e-01 2.294993e-02 1.293332e-02 0.000485 0.005315 True native_MD 7 167 225 -CG1_AB42_18 C_AB42_24 1 0.000000e+00 4.692469e-06 ; 3.204634e-01 -4.692469e-06 1.050655e-02 3.387148e-03 0.000485 0.000060 True native_MD 7 167 226 +CG1_AB42_18 C_AB42_24 1 0.000000e+00 4.692407e-06 ; 3.204631e-01 -4.692407e-06 1.050655e-02 3.387148e-03 0.000485 0.000060 True native_MD 7 167 226 CG1_AB42_18 O_AB42_24 1 5.390412e-04 5.133201e-07 ; 3.136614e-01 1.415128e-01 1.105249e-02 3.191042e-03 0.000485 0.001191 True native_MD 7 167 227 -CG1_AB42_18 N_AB42_25 1 0.000000e+00 2.737932e-06 ; 3.063940e-01 -2.737932e-06 4.316101e-03 2.495387e-03 0.000485 0.000060 True native_MD 7 167 228 +CG1_AB42_18 N_AB42_25 1 0.000000e+00 2.737906e-06 ; 3.063937e-01 -2.737906e-06 4.316101e-03 2.495387e-03 0.000485 0.000060 True native_MD 7 167 228 CG1_AB42_18 CA_AB42_25 1 1.446098e-03 3.702369e-06 ; 3.698682e-01 1.412069e-01 1.295700e-02 7.394807e-03 0.000485 0.002332 True native_MD 7 167 230 -CG1_AB42_18 C_AB42_25 1 0.000000e+00 4.684743e-06 ; 3.204194e-01 -4.684743e-06 1.214338e-02 3.389423e-03 0.000485 0.000060 True native_MD 7 167 231 +CG1_AB42_18 C_AB42_25 1 0.000000e+00 4.684682e-06 ; 3.204191e-01 -4.684682e-06 1.214338e-02 3.389423e-03 0.000485 0.000060 True native_MD 7 167 231 CG1_AB42_18 O_AB42_25 1 4.700901e-04 4.252323e-07 ; 3.109860e-01 1.299200e-01 7.488506e-03 3.058688e-03 0.000485 0.001191 True native_MD 7 167 232 -CG1_AB42_18 N_AB42_26 1 0.000000e+00 2.721813e-06 ; 3.062432e-01 -2.721813e-06 9.082632e-03 1.385173e-03 0.000485 0.000060 True native_MD 7 167 233 +CG1_AB42_18 N_AB42_26 1 0.000000e+00 2.721787e-06 ; 3.062430e-01 -2.721787e-06 9.082632e-03 1.385173e-03 0.000485 0.000060 True native_MD 7 167 233 CG1_AB42_18 CA_AB42_26 1 1.445076e-03 3.453483e-06 ; 3.656462e-01 1.511695e-01 2.043643e-02 7.173524e-03 0.000485 0.001932 True native_MD 7 167 235 CG1_AB42_18 CB_AB42_26 1 1.146193e-03 2.067839e-06 ; 3.489071e-01 1.588323e-01 2.121039e-02 7.143323e-03 0.000485 0.002332 True native_MD 7 167 236 -CG1_AB42_18 OG_AB42_26 1 0.000000e+00 2.053106e-06 ; 2.991318e-01 -2.053106e-06 1.608004e-02 4.610950e-03 0.000485 0.000060 True native_MD 7 167 237 -CG1_AB42_18 C_AB42_26 1 0.000000e+00 4.694930e-06 ; 3.204774e-01 -4.694930e-06 8.779805e-03 2.181218e-03 0.000485 0.000060 True native_MD 7 167 238 +CG1_AB42_18 OG_AB42_26 1 0.000000e+00 2.053083e-06 ; 2.991315e-01 -2.053083e-06 1.608004e-02 4.610950e-03 0.000485 0.000060 True native_MD 7 167 237 +CG1_AB42_18 C_AB42_26 1 0.000000e+00 4.694869e-06 ; 3.204771e-01 -4.694869e-06 8.779805e-03 2.181218e-03 0.000485 0.000060 True native_MD 7 167 238 CG1_AB42_18 O_AB42_26 1 6.105722e-04 5.775940e-07 ; 3.133148e-01 1.613583e-01 1.086130e-02 1.731523e-03 0.000485 0.001191 True native_MD 7 167 239 -CG1_AB42_18 N_AB42_27 1 0.000000e+00 2.737992e-06 ; 3.063945e-01 -2.737992e-06 2.566366e-03 7.675137e-04 0.000485 0.000060 True native_MD 7 167 240 +CG1_AB42_18 N_AB42_27 1 0.000000e+00 2.737966e-06 ; 3.063943e-01 -2.737966e-06 2.566366e-03 7.675137e-04 0.000485 0.000060 True native_MD 7 167 240 CG1_AB42_18 CA_AB42_27 1 4.640655e-03 2.521571e-05 ; 4.192908e-01 2.135145e-01 6.107198e-02 3.318129e-03 0.000485 0.001932 True native_MD 7 167 242 CG1_AB42_18 CB_AB42_27 1 2.380475e-03 7.811328e-06 ; 3.854874e-01 1.813604e-01 1.740801e-02 2.987519e-03 0.000485 0.002332 True native_MD 7 167 243 -CG1_AB42_18 CG_AB42_27 1 0.000000e+00 4.673356e-06 ; 3.203544e-01 -4.673356e-06 1.423881e-02 3.075447e-03 0.000485 0.000060 True native_MD 7 167 244 +CG1_AB42_18 CG_AB42_27 1 0.000000e+00 4.673295e-06 ; 3.203541e-01 -4.673295e-06 1.423881e-02 3.075447e-03 0.000485 0.000060 True native_MD 7 167 244 CG1_AB42_18 OD1_AB42_27 1 7.856320e-04 9.924957e-07 ; 3.287897e-01 1.554711e-01 1.392836e-02 2.648260e-03 0.000485 0.001191 True native_MD 7 167 245 -CG1_AB42_18 ND2_AB42_27 1 0.000000e+00 4.686754e-06 ; 3.204309e-01 -4.686754e-06 1.201382e-02 4.146666e-03 0.000485 0.000060 True native_MD 7 167 246 +CG1_AB42_18 ND2_AB42_27 1 0.000000e+00 4.686745e-06 ; 3.204308e-01 -4.686745e-06 1.201382e-02 4.146666e-03 0.000485 0.000060 True native_MD 7 167 246 CG1_AB42_18 C_AB42_27 1 1.411705e-03 4.983437e-06 ; 3.902092e-01 9.997679e-02 2.778991e-02 1.394833e-03 0.000485 0.000060 True native_MD 7 167 247 CG1_AB42_18 O_AB42_27 1 1.044005e-03 1.291375e-06 ; 3.276360e-01 2.110050e-01 4.093335e-02 1.477005e-03 0.000485 0.001191 True native_MD 7 167 248 -CG1_AB42_18 N_AB42_28 1 0.000000e+00 2.730786e-06 ; 3.063273e-01 -2.730786e-06 5.050730e-03 6.247707e-04 0.000485 0.000060 True native_MD 7 167 249 +CG1_AB42_18 N_AB42_28 1 0.000000e+00 2.730760e-06 ; 3.063270e-01 -2.730760e-06 5.050730e-03 6.247707e-04 0.000485 0.000060 True native_MD 7 167 249 CG1_AB42_18 CA_AB42_28 1 4.787109e-03 3.075390e-05 ; 4.311593e-01 1.862887e-01 1.978390e-02 2.427768e-03 0.000485 0.001932 True native_MD 7 167 251 CG1_AB42_18 CB_AB42_28 1 1.491029e-03 3.294364e-06 ; 3.608951e-01 1.687098e-01 9.305700e-03 2.151831e-03 0.000485 0.002332 True native_MD 7 167 252 CG1_AB42_18 CG_AB42_28 1 1.736019e-03 4.603096e-06 ; 3.720340e-01 1.636813e-01 8.429396e-03 2.455428e-03 0.000485 0.002332 True native_MD 7 167 253 CG1_AB42_18 CD_AB42_28 1 1.132870e-03 2.157051e-06 ; 3.520573e-01 1.487440e-01 7.433940e-03 3.385977e-03 0.000485 0.002332 True native_MD 7 167 254 CG1_AB42_18 CE_AB42_28 1 1.144391e-03 2.541131e-06 ; 3.611953e-01 1.288434e-01 6.072173e-03 5.017081e-03 0.000485 0.002332 True native_MD 7 167 255 -CG1_AB42_18 NZ_AB42_28 1 0.000000e+00 2.745066e-06 ; 3.064604e-01 -2.745066e-06 2.344429e-03 3.124412e-03 0.000485 0.000060 True native_MD 7 167 256 -CG1_AB42_18 C_AB42_28 1 0.000000e+00 4.682552e-06 ; 3.204069e-01 -4.682552e-06 1.062403e-02 1.406279e-03 0.000485 0.000060 True native_MD 7 167 257 +CG1_AB42_18 NZ_AB42_28 1 0.000000e+00 2.745040e-06 ; 3.064602e-01 -2.745040e-06 2.344429e-03 3.124412e-03 0.000485 0.000060 True native_MD 7 167 256 +CG1_AB42_18 C_AB42_28 1 0.000000e+00 4.682490e-06 ; 3.204066e-01 -4.682490e-06 1.062403e-02 1.406279e-03 0.000485 0.000060 True native_MD 7 167 257 CG1_AB42_18 O_AB42_28 1 7.578475e-04 8.790953e-07 ; 3.241473e-01 1.633306e-01 8.278788e-03 1.244169e-03 0.000485 0.001191 True native_MD 7 167 258 CG1_AB42_18 N_AB42_29 1 4.892231e-04 7.833001e-07 ; 3.420347e-01 7.638811e-02 9.848393e-03 1.001324e-03 0.000485 0.000060 True native_MD 7 167 259 CG1_AB42_18 CA_AB42_29 1 2.026572e-03 5.228244e-06 ; 3.703386e-01 1.963850e-01 3.073952e-02 3.365023e-03 0.000485 0.002332 True native_MD 7 167 261 @@ -36463,9 +36463,9 @@ CG1_AB42_18 CG2_AB42_32 1 1.461067e-03 2.710587e-06 ; 3.505357e-01 1.968868 CG1_AB42_18 CD_AB42_32 1 1.499848e-03 2.702386e-06 ; 3.488323e-01 2.081073e-01 3.025412e-02 3.248834e-03 0.000485 0.005315 True native_MD 7 167 285 CG1_AB42_18 C_AB42_32 1 9.856769e-04 3.186810e-06 ; 3.845359e-01 7.621719e-02 9.110922e-03 9.310927e-04 0.000485 0.000060 True native_MD 7 167 286 CG1_AB42_18 O_AB42_32 1 6.870826e-04 7.450023e-07 ; 3.205222e-01 1.584165e-01 6.838635e-03 9.333279e-04 0.000485 0.001191 True native_MD 7 167 287 -CG1_AB42_18 N_AB42_33 1 0.000000e+00 2.731310e-06 ; 3.063322e-01 -2.731310e-06 4.866519e-03 6.316397e-04 0.000485 0.000060 True native_MD 7 167 288 +CG1_AB42_18 N_AB42_33 1 0.000000e+00 2.731284e-06 ; 3.063319e-01 -2.731284e-06 4.866519e-03 6.316397e-04 0.000485 0.000060 True native_MD 7 167 288 CG1_AB42_18 CA_AB42_33 1 1.446670e-03 2.848404e-06 ; 3.540289e-01 1.836864e-01 1.456783e-02 2.073604e-03 0.000485 0.002332 True native_MD 7 167 290 -CG1_AB42_18 C_AB42_33 1 0.000000e+00 4.696859e-06 ; 3.204884e-01 -4.696859e-06 7.177554e-03 9.871749e-04 0.000485 0.000060 True native_MD 7 167 291 +CG1_AB42_18 C_AB42_33 1 0.000000e+00 4.696798e-06 ; 3.204880e-01 -4.696798e-06 7.177554e-03 9.871749e-04 0.000485 0.000060 True native_MD 7 167 291 CG1_AB42_18 O_AB42_33 1 4.982004e-04 4.326930e-07 ; 3.088844e-01 1.434064e-01 4.364033e-03 1.122804e-03 0.000485 0.001191 True native_MD 7 167 292 CG1_AB42_18 N_AB42_34 1 6.858609e-04 1.014705e-06 ; 3.375597e-01 1.158970e-01 3.882960e-03 1.210287e-04 0.000485 0.000060 True native_MD 7 167 293 CG1_AB42_18 CA_AB42_34 1 2.749545e-03 1.019639e-05 ; 3.934271e-01 1.853596e-01 1.531584e-02 1.516064e-03 0.000485 0.001932 True native_MD 7 167 295 @@ -36523,23 +36523,23 @@ CG1_AB42_18 O_AB42_41 1 4.629985e-04 3.602100e-07 ; 3.032699e-01 1.487796 CG1_AB42_18 N_AB42_42 1 7.676356e-04 1.845189e-06 ; 3.659999e-01 7.983793e-02 3.138152e-03 2.877710e-04 0.000485 0.000060 True native_MD 7 167 354 CG1_AB42_18 CA_AB42_42 1 2.353522e-03 8.003991e-06 ; 3.877913e-01 1.730096e-01 1.058354e-02 1.212348e-03 0.000485 0.001932 True native_MD 7 167 356 CG1_AB42_18 CB_AB42_42 1 1.219468e-03 2.094162e-06 ; 3.460509e-01 1.775295e-01 1.211643e-02 1.248259e-03 0.000485 0.005315 True native_MD 7 167 357 -CG1_AB42_18 C_AB42_42 1 0.000000e+00 4.721232e-06 ; 3.206266e-01 -4.721232e-06 1.702436e-03 6.691071e-04 0.000485 0.000060 True native_MD 7 167 358 +CG1_AB42_18 C_AB42_42 1 0.000000e+00 4.721170e-06 ; 3.206263e-01 -4.721170e-06 1.702436e-03 6.691071e-04 0.000485 0.000060 True native_MD 7 167 358 CG1_AB42_18 O1_AB42_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 359 CG1_AB42_18 O2_AB42_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 360 -CG2_AB42_18 C_AB42_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 168 169 +CG2_AB42_18 C_AB42_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 168 169 CG2_AB42_18 O_AB42_18 1 0.000000e+00 1.524581e-06 ; 2.918038e-01 -1.524581e-06 9.209068e-01 9.345967e-01 0.000485 0.000060 True native_MD 4 168 170 -CG2_AB42_18 N_AB42_19 1 0.000000e+00 2.738205e-06 ; 3.063965e-01 -2.738205e-06 9.652744e-01 9.635531e-01 0.000485 0.000060 True native_MD 4 168 171 -CG2_AB42_18 CA_AB42_19 1 0.000000e+00 2.861288e-05 ; 3.725705e-01 -2.861288e-05 4.516890e-01 6.570552e-01 0.000485 0.000060 True native_MD 5 168 173 -CG2_AB42_18 CB_AB42_19 1 0.000000e+00 1.280517e-05 ; 3.484259e-01 -1.280517e-05 7.115738e-02 1.827359e-01 0.000485 0.000060 True native_MD 6 168 174 +CG2_AB42_18 N_AB42_19 1 0.000000e+00 2.738179e-06 ; 3.063963e-01 -2.738179e-06 9.652744e-01 9.635531e-01 0.000485 0.000060 True native_MD 4 168 171 +CG2_AB42_18 CA_AB42_19 1 0.000000e+00 2.861286e-05 ; 3.725705e-01 -2.861286e-05 4.516890e-01 6.570552e-01 0.000485 0.000060 True native_MD 5 168 173 +CG2_AB42_18 CB_AB42_19 1 0.000000e+00 1.280502e-05 ; 3.484256e-01 -1.280502e-05 7.115738e-02 1.827359e-01 0.000485 0.000060 True native_MD 6 168 174 CG2_AB42_18 CG_AB42_19 1 1.394506e-03 3.929626e-06 ; 3.758274e-01 1.237171e-01 4.322818e-02 9.490430e-02 0.000485 0.005315 True native_MD 7 168 175 CG2_AB42_18 CD1_AB42_19 1 1.018987e-03 1.886490e-06 ; 3.504136e-01 1.376013e-01 5.925842e-02 8.586594e-02 0.000485 0.005315 True native_MD 7 168 176 CG2_AB42_18 CD2_AB42_19 1 1.018987e-03 1.886490e-06 ; 3.504136e-01 1.376013e-01 5.925842e-02 8.586594e-02 0.000485 0.005315 True native_MD 7 168 177 CG2_AB42_18 CE1_AB42_19 1 1.048297e-03 1.912797e-06 ; 3.495673e-01 1.436282e-01 5.895219e-02 7.132492e-02 0.000485 0.005315 True native_MD 7 168 178 CG2_AB42_18 CE2_AB42_19 1 1.048297e-03 1.912797e-06 ; 3.495673e-01 1.436282e-01 5.895219e-02 7.132492e-02 0.000485 0.005315 True native_MD 7 168 179 CG2_AB42_18 CZ_AB42_19 1 1.188843e-03 2.516847e-06 ; 3.583346e-01 1.403886e-01 4.541930e-02 6.054609e-02 0.000485 0.005315 True native_MD 7 168 180 -CG2_AB42_18 C_AB42_19 1 0.000000e+00 5.245384e-06 ; 3.234520e-01 -5.245384e-06 6.267559e-02 1.725477e-01 0.000485 0.000060 True native_MD 6 168 181 +CG2_AB42_18 C_AB42_19 1 0.000000e+00 5.245315e-06 ; 3.234516e-01 -5.245315e-06 6.267559e-02 1.725477e-01 0.000485 0.000060 True native_MD 6 168 181 CG2_AB42_18 O_AB42_19 1 0.000000e+00 1.594610e-06 ; 2.928979e-01 -1.594610e-06 3.151498e-02 9.176689e-02 0.000485 0.001191 True native_MD 7 168 182 -CG2_AB42_18 N_AB42_20 1 0.000000e+00 2.918338e-06 ; 3.080276e-01 -2.918338e-06 3.208248e-02 9.603329e-02 0.000485 0.000060 True native_MD 7 168 183 +CG2_AB42_18 N_AB42_20 1 0.000000e+00 2.918311e-06 ; 3.080274e-01 -2.918311e-06 3.208248e-02 9.603329e-02 0.000485 0.000060 True native_MD 7 168 183 CG2_AB42_18 CA_AB42_20 1 2.020849e-03 1.251837e-05 ; 4.285508e-01 8.155677e-02 4.493353e-02 1.266578e-01 0.000485 0.001932 True native_MD 7 168 185 CG2_AB42_18 CB_AB42_20 1 1.013927e-03 3.202911e-06 ; 3.830508e-01 8.024320e-02 2.102429e-02 7.438218e-02 0.000485 0.002332 True native_MD 7 168 186 CG2_AB42_18 CG_AB42_20 1 1.302609e-03 3.134279e-06 ; 3.660614e-01 1.353414e-01 2.721224e-02 4.218967e-02 0.000485 0.005315 True native_MD 7 168 187 @@ -36548,53 +36548,53 @@ CG2_AB42_18 CD2_AB42_20 1 1.066191e-03 2.096541e-06 ; 3.539523e-01 1.355523 CG2_AB42_18 CE1_AB42_20 1 8.045007e-04 1.096015e-06 ; 3.329520e-01 1.476307e-01 5.809197e-02 6.235037e-02 0.000485 0.005315 True native_MD 7 168 190 CG2_AB42_18 CE2_AB42_20 1 8.045007e-04 1.096015e-06 ; 3.329520e-01 1.476307e-01 5.809197e-02 6.235037e-02 0.000485 0.005315 True native_MD 7 168 191 CG2_AB42_18 CZ_AB42_20 1 8.531413e-04 1.179648e-06 ; 3.337761e-01 1.542516e-01 7.409134e-02 6.522899e-02 0.000485 0.005315 True native_MD 7 168 192 -CG2_AB42_18 C_AB42_20 1 0.000000e+00 4.897309e-06 ; 3.216065e-01 -4.897309e-06 1.714184e-02 5.336474e-02 0.000485 0.000060 True native_MD 7 168 193 +CG2_AB42_18 C_AB42_20 1 0.000000e+00 4.897245e-06 ; 3.216061e-01 -4.897245e-06 1.714184e-02 5.336474e-02 0.000485 0.000060 True native_MD 7 168 193 CG2_AB42_18 O_AB42_20 1 0.000000e+00 1.549745e-06 ; 2.922021e-01 -1.549745e-06 1.694975e-02 4.737099e-02 0.000485 0.001191 True native_MD 7 168 194 -CG2_AB42_18 N_AB42_21 1 0.000000e+00 2.808832e-06 ; 3.070474e-01 -2.808832e-06 9.248332e-03 3.327575e-02 0.000485 0.000060 True native_MD 7 168 195 +CG2_AB42_18 N_AB42_21 1 0.000000e+00 2.808805e-06 ; 3.070472e-01 -2.808805e-06 9.248332e-03 3.327575e-02 0.000485 0.000060 True native_MD 7 168 195 CG2_AB42_18 CA_AB42_21 1 1.139772e-03 3.901380e-06 ; 3.882100e-01 8.324488e-02 2.503787e-02 6.709945e-02 0.000485 0.001932 True native_MD 7 168 197 CG2_AB42_18 CB_AB42_21 1 1.154156e-03 2.447572e-06 ; 3.584362e-01 1.360610e-01 3.861369e-02 5.858562e-02 0.000485 0.005315 True native_MD 7 168 198 -CG2_AB42_18 C_AB42_21 1 0.000000e+00 4.746404e-06 ; 3.207688e-01 -4.746404e-06 3.805092e-03 8.097801e-03 0.000485 0.000060 True native_MD 7 168 199 +CG2_AB42_18 C_AB42_21 1 0.000000e+00 4.746341e-06 ; 3.207684e-01 -4.746341e-06 3.805092e-03 8.097801e-03 0.000485 0.000060 True native_MD 7 168 199 CG2_AB42_18 O_AB42_21 1 2.577373e-04 2.231013e-07 ; 3.087124e-01 7.443761e-02 2.765971e-03 5.943925e-03 0.000485 0.001191 True native_MD 7 168 200 -CG2_AB42_18 N_AB42_22 1 0.000000e+00 2.747085e-06 ; 3.064792e-01 -2.747085e-06 2.701286e-03 4.217454e-03 0.000485 0.000060 True native_MD 7 168 201 +CG2_AB42_18 N_AB42_22 1 0.000000e+00 2.747059e-06 ; 3.064790e-01 -2.747059e-06 2.701286e-03 4.217454e-03 0.000485 0.000060 True native_MD 7 168 201 CG2_AB42_18 CA_AB42_22 1 1.661924e-03 6.136903e-06 ; 3.931483e-01 1.125157e-01 9.146147e-03 1.020792e-02 0.000485 0.001932 True native_MD 7 168 203 CG2_AB42_18 CB_AB42_22 1 1.639862e-03 5.053975e-06 ; 3.814793e-01 1.330215e-01 1.244784e-02 9.076111e-03 0.000485 0.002332 True native_MD 7 168 204 CG2_AB42_18 CG_AB42_22 1 1.498147e-03 4.562174e-06 ; 3.807175e-01 1.229921e-01 1.381870e-02 1.360260e-02 0.000485 0.002332 True native_MD 7 168 205 -CG2_AB42_18 CD_AB42_22 1 0.000000e+00 4.744150e-06 ; 3.207561e-01 -4.744150e-06 6.080471e-03 9.896440e-03 0.000485 0.000060 True native_MD 7 168 206 -CG2_AB42_18 OE1_AB42_22 1 0.000000e+00 1.220819e-06 ; 2.864503e-01 -1.220819e-06 2.804977e-03 5.560171e-03 0.000485 0.000060 True native_MD 7 168 207 -CG2_AB42_18 OE2_AB42_22 1 0.000000e+00 1.220819e-06 ; 2.864503e-01 -1.220819e-06 2.804977e-03 5.560171e-03 0.000485 0.000060 True native_MD 7 168 208 -CG2_AB42_18 C_AB42_22 1 0.000000e+00 4.720991e-06 ; 3.206253e-01 -4.720991e-06 3.312497e-03 2.228209e-03 0.000485 0.000060 True native_MD 7 168 209 +CG2_AB42_18 CD_AB42_22 1 0.000000e+00 4.744088e-06 ; 3.207557e-01 -4.744088e-06 6.080471e-03 9.896440e-03 0.000485 0.000060 True native_MD 7 168 206 +CG2_AB42_18 OE1_AB42_22 1 0.000000e+00 1.220820e-06 ; 2.864503e-01 -1.220820e-06 2.804977e-03 5.560171e-03 0.000485 0.000060 True native_MD 7 168 207 +CG2_AB42_18 OE2_AB42_22 1 0.000000e+00 1.220820e-06 ; 2.864503e-01 -1.220820e-06 2.804977e-03 5.560171e-03 0.000485 0.000060 True native_MD 7 168 208 +CG2_AB42_18 C_AB42_22 1 0.000000e+00 4.720930e-06 ; 3.206249e-01 -4.720930e-06 3.312497e-03 2.228209e-03 0.000485 0.000060 True native_MD 7 168 209 CG2_AB42_18 O_AB42_22 1 5.043247e-04 6.186586e-07 ; 3.271826e-01 1.027802e-01 2.620420e-03 2.411225e-03 0.000485 0.001191 True native_MD 7 168 210 -CG2_AB42_18 N_AB42_23 1 0.000000e+00 2.743129e-06 ; 3.064424e-01 -2.743129e-06 1.814108e-03 1.887894e-03 0.000485 0.000060 True native_MD 7 168 211 +CG2_AB42_18 N_AB42_23 1 0.000000e+00 2.743103e-06 ; 3.064422e-01 -2.743103e-06 1.814108e-03 1.887894e-03 0.000485 0.000060 True native_MD 7 168 211 CG2_AB42_18 CA_AB42_23 1 2.526325e-03 1.326462e-05 ; 4.169023e-01 1.202883e-01 1.200733e-02 1.062005e-02 0.000485 0.001932 True native_MD 7 168 213 CG2_AB42_18 CB_AB42_23 1 1.429323e-03 3.740170e-06 ; 3.712161e-01 1.365556e-01 1.896789e-02 1.244209e-02 0.000485 0.002332 True native_MD 7 168 214 -CG2_AB42_18 CG_AB42_23 1 0.000000e+00 4.713803e-06 ; 3.205846e-01 -4.713803e-06 1.226086e-02 9.655617e-03 0.000485 0.000060 True native_MD 7 168 215 +CG2_AB42_18 CG_AB42_23 1 0.000000e+00 4.713741e-06 ; 3.205842e-01 -4.713741e-06 1.226086e-02 9.655617e-03 0.000485 0.000060 True native_MD 7 168 215 CG2_AB42_18 OD1_AB42_23 1 0.000000e+00 1.216131e-06 ; 2.863585e-01 -1.216131e-06 7.351972e-03 6.256133e-03 0.000485 0.000060 True native_MD 7 168 216 CG2_AB42_18 OD2_AB42_23 1 0.000000e+00 1.216131e-06 ; 2.863585e-01 -1.216131e-06 7.351972e-03 6.256133e-03 0.000485 0.000060 True native_MD 7 168 217 -CG2_AB42_18 C_AB42_23 1 0.000000e+00 4.712779e-06 ; 3.205788e-01 -4.712779e-06 5.982380e-03 3.160407e-03 0.000485 0.000060 True native_MD 7 168 218 +CG2_AB42_18 C_AB42_23 1 0.000000e+00 4.712717e-06 ; 3.205784e-01 -4.712717e-06 5.982380e-03 3.160407e-03 0.000485 0.000060 True native_MD 7 168 218 CG2_AB42_18 O_AB42_23 1 4.648287e-04 4.966279e-07 ; 3.197346e-01 1.087664e-01 5.009561e-03 3.853590e-03 0.000485 0.001191 True native_MD 7 168 219 -CG2_AB42_18 N_AB42_24 1 0.000000e+00 2.736724e-06 ; 3.063827e-01 -2.736724e-06 3.392946e-03 1.131685e-03 0.000485 0.000060 True native_MD 7 168 220 +CG2_AB42_18 N_AB42_24 1 0.000000e+00 2.736698e-06 ; 3.063825e-01 -2.736698e-06 3.392946e-03 1.131685e-03 0.000485 0.000060 True native_MD 7 168 220 CG2_AB42_18 CA_AB42_24 1 2.551275e-03 1.084477e-05 ; 4.024795e-01 1.500495e-01 2.062144e-02 7.485196e-03 0.000485 0.001932 True native_MD 7 168 222 CG2_AB42_18 CB_AB42_24 1 2.565908e-03 1.182886e-05 ; 4.079595e-01 1.391487e-01 2.488772e-02 1.251826e-02 0.000485 0.001932 True native_MD 7 168 223 CG2_AB42_18 CG1_AB42_24 1 1.391664e-03 2.822324e-06 ; 3.557777e-01 1.715544e-01 2.078160e-02 1.090015e-02 0.000485 0.005315 True native_MD 7 168 224 CG2_AB42_18 CG2_AB42_24 1 1.320293e-03 2.565149e-06 ; 3.532431e-01 1.698900e-01 1.941665e-02 1.070431e-02 0.000485 0.005315 True native_MD 7 168 225 -CG2_AB42_18 C_AB42_24 1 0.000000e+00 4.687860e-06 ; 3.204372e-01 -4.687860e-06 1.065638e-02 2.561749e-03 0.000485 0.000060 True native_MD 7 168 226 +CG2_AB42_18 C_AB42_24 1 0.000000e+00 4.687798e-06 ; 3.204368e-01 -4.687798e-06 1.065638e-02 2.561749e-03 0.000485 0.000060 True native_MD 7 168 226 CG2_AB42_18 O_AB42_24 1 4.767337e-04 3.796493e-07 ; 3.044513e-01 1.496612e-01 1.151437e-02 2.605017e-03 0.000485 0.001191 True native_MD 7 168 227 -CG2_AB42_18 N_AB42_25 1 0.000000e+00 2.734184e-06 ; 3.063590e-01 -2.734184e-06 5.173346e-03 1.986367e-03 0.000485 0.000060 True native_MD 7 168 228 +CG2_AB42_18 N_AB42_25 1 0.000000e+00 2.734159e-06 ; 3.063588e-01 -2.734159e-06 5.173346e-03 1.986367e-03 0.000485 0.000060 True native_MD 7 168 228 CG2_AB42_18 CA_AB42_25 1 1.540267e-03 3.872816e-06 ; 3.687555e-01 1.531459e-01 1.398102e-02 5.582054e-03 0.000485 0.002332 True native_MD 7 168 230 -CG2_AB42_18 C_AB42_25 1 0.000000e+00 4.680538e-06 ; 3.203954e-01 -4.680538e-06 1.241591e-02 2.772080e-03 0.000485 0.000060 True native_MD 7 168 231 +CG2_AB42_18 C_AB42_25 1 0.000000e+00 4.680477e-06 ; 3.203951e-01 -4.680477e-06 1.241591e-02 2.772080e-03 0.000485 0.000060 True native_MD 7 168 231 CG2_AB42_18 O_AB42_25 1 6.989369e-04 8.322104e-07 ; 3.255611e-01 1.467516e-01 9.438398e-03 2.329612e-03 0.000485 0.001191 True native_MD 7 168 232 -CG2_AB42_18 N_AB42_26 1 0.000000e+00 2.725061e-06 ; 3.062737e-01 -2.725061e-06 7.552558e-03 1.039544e-03 0.000485 0.000060 True native_MD 7 168 233 +CG2_AB42_18 N_AB42_26 1 0.000000e+00 2.725036e-06 ; 3.062734e-01 -2.725036e-06 7.552558e-03 1.039544e-03 0.000485 0.000060 True native_MD 7 168 233 CG2_AB42_18 CA_AB42_26 1 3.527816e-03 1.758991e-05 ; 4.133262e-01 1.768838e-01 3.026582e-02 4.921299e-03 0.000485 0.001932 True native_MD 7 168 235 CG2_AB42_18 CB_AB42_26 1 1.553584e-03 3.732652e-06 ; 3.659714e-01 1.616560e-01 1.749695e-02 5.415208e-03 0.000485 0.002332 True native_MD 7 168 236 -CG2_AB42_18 OG_AB42_26 1 0.000000e+00 2.060300e-06 ; 2.992190e-01 -2.060300e-06 1.113304e-02 3.127809e-03 0.000485 0.000060 True native_MD 7 168 237 +CG2_AB42_18 OG_AB42_26 1 0.000000e+00 2.060277e-06 ; 2.992187e-01 -2.060277e-06 1.113304e-02 3.127809e-03 0.000485 0.000060 True native_MD 7 168 237 CG2_AB42_18 C_AB42_26 1 2.339610e-03 1.203053e-05 ; 4.154546e-01 1.137476e-01 3.457364e-02 1.149227e-03 0.000485 0.000060 True native_MD 7 168 238 CG2_AB42_18 O_AB42_26 1 9.327569e-04 9.549905e-07 ; 3.174718e-01 2.277602e-01 6.372311e-02 1.392643e-03 0.000485 0.001191 True native_MD 7 168 239 CG2_AB42_18 N_AB42_27 1 1.776620e-03 8.983949e-06 ; 4.142973e-01 8.783387e-02 6.699111e-03 4.835815e-04 0.000485 0.000060 True native_MD 7 168 240 CG2_AB42_18 CA_AB42_27 1 3.984832e-03 1.703290e-05 ; 4.028528e-01 2.330621e-01 6.958186e-02 2.106170e-03 0.000485 0.001932 True native_MD 7 168 242 CG2_AB42_18 CB_AB42_27 1 1.932642e-03 4.864255e-06 ; 3.688169e-01 1.919669e-01 1.866435e-02 1.989146e-03 0.000485 0.002332 True native_MD 7 168 243 -CG2_AB42_18 CG_AB42_27 1 0.000000e+00 4.681488e-06 ; 3.204009e-01 -4.681488e-06 1.176591e-02 2.323228e-03 0.000485 0.000060 True native_MD 7 168 244 +CG2_AB42_18 CG_AB42_27 1 0.000000e+00 4.681427e-06 ; 3.204005e-01 -4.681427e-06 1.176591e-02 2.323228e-03 0.000485 0.000060 True native_MD 7 168 244 CG2_AB42_18 OD1_AB42_27 1 7.065693e-04 7.955702e-07 ; 3.225428e-01 1.568813e-01 9.488925e-03 1.729618e-03 0.000485 0.001191 True native_MD 7 168 245 -CG2_AB42_18 ND2_AB42_27 1 0.000000e+00 4.695861e-06 ; 3.204827e-01 -4.695861e-06 9.179892e-03 3.240509e-03 0.000485 0.000060 True native_MD 7 168 246 +CG2_AB42_18 ND2_AB42_27 1 0.000000e+00 4.695852e-06 ; 3.204827e-01 -4.695852e-06 9.179892e-03 3.240509e-03 0.000485 0.000060 True native_MD 7 168 246 CG2_AB42_18 C_AB42_27 1 1.941762e-03 5.915401e-06 ; 3.807425e-01 1.593485e-01 5.422902e-02 4.605031e-04 0.000485 0.000060 True native_MD 7 168 247 CG2_AB42_18 O_AB42_27 1 9.167056e-04 9.295536e-07 ; 3.169622e-01 2.260088e-01 5.169451e-02 5.070891e-04 0.000485 0.001191 True native_MD 7 168 248 CG2_AB42_18 N_AB42_28 1 1.279630e-03 3.017682e-06 ; 3.648364e-01 1.356550e-01 1.489837e-02 2.570849e-04 0.000485 0.000060 True native_MD 7 168 249 @@ -36603,7 +36603,7 @@ CG2_AB42_18 CB_AB42_28 1 1.357574e-03 2.766453e-06 ; 3.560628e-01 1.665497 CG2_AB42_18 CG_AB42_28 1 1.918778e-03 5.739101e-06 ; 3.795799e-01 1.603784e-01 7.252161e-03 1.865581e-03 0.000485 0.002332 True native_MD 7 168 253 CG2_AB42_18 CD_AB42_28 1 1.526563e-03 4.135682e-06 ; 3.733694e-01 1.408712e-01 6.142486e-03 3.541029e-03 0.000485 0.002332 True native_MD 7 168 254 CG2_AB42_18 CE_AB42_28 1 1.572255e-03 4.834690e-06 ; 3.813358e-01 1.278254e-01 5.103556e-03 4.347206e-03 0.000485 0.002332 True native_MD 7 168 255 -CG2_AB42_18 NZ_AB42_28 1 0.000000e+00 2.745296e-06 ; 3.064626e-01 -2.745296e-06 1.657644e-03 2.521641e-03 0.000485 0.000060 True native_MD 7 168 256 +CG2_AB42_18 NZ_AB42_28 1 0.000000e+00 2.745270e-06 ; 3.064623e-01 -2.745270e-06 1.657644e-03 2.521641e-03 0.000485 0.000060 True native_MD 7 168 256 CG2_AB42_18 C_AB42_28 1 1.120926e-03 2.668810e-06 ; 3.654181e-01 1.177000e-01 3.847646e-02 1.136287e-03 0.000485 0.000060 True native_MD 7 168 257 CG2_AB42_18 O_AB42_28 1 6.997205e-04 6.420894e-07 ; 3.117299e-01 1.906311e-01 1.819304e-02 1.207823e-03 0.000485 0.001191 True native_MD 7 168 258 CG2_AB42_18 N_AB42_29 1 9.159822e-04 1.480741e-06 ; 3.425826e-01 1.416560e-01 5.135901e-02 7.405609e-04 0.000485 0.000060 True native_MD 7 168 259 @@ -36691,53 +36691,53 @@ CG2_AB42_18 O_AB42_41 1 6.278715e-04 5.501444e-07 ; 3.093387e-01 1.791451 CG2_AB42_18 N_AB42_42 1 7.264910e-04 1.304065e-06 ; 3.486140e-01 1.011815e-01 5.907960e-03 2.860323e-04 0.000485 0.000060 True native_MD 7 168 354 CG2_AB42_18 CA_AB42_42 1 2.219272e-03 6.611286e-06 ; 3.793260e-01 1.862409e-01 1.572514e-02 1.584652e-03 0.000485 0.001932 True native_MD 7 168 356 CG2_AB42_18 CB_AB42_42 1 1.187541e-03 1.907991e-06 ; 3.422325e-01 1.847827e-01 1.505366e-02 1.284852e-03 0.000485 0.005315 True native_MD 7 168 357 -CG2_AB42_18 C_AB42_42 1 0.000000e+00 4.717792e-06 ; 3.206072e-01 -4.717792e-06 2.387313e-03 6.259982e-04 0.000485 0.000060 True native_MD 7 168 358 +CG2_AB42_18 C_AB42_42 1 0.000000e+00 4.717730e-06 ; 3.206068e-01 -4.717730e-06 2.387313e-03 6.259982e-04 0.000485 0.000060 True native_MD 7 168 358 CG2_AB42_18 O1_AB42_42 1 0.000000e+00 1.216769e-06 ; 2.863710e-01 -1.216769e-06 7.822605e-04 2.103812e-04 0.000485 0.000060 True native_MD 7 168 359 CG2_AB42_18 O2_AB42_42 1 0.000000e+00 1.216769e-06 ; 2.863710e-01 -1.216769e-06 7.822605e-04 2.103812e-04 0.000485 0.000060 True native_MD 7 168 360 - C_AB42_18 CB_AB42_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 169 174 - C_AB42_18 CG_AB42_19 1 0.000000e+00 2.584149e-06 ; 3.049216e-01 -2.584149e-06 9.483668e-01 9.428174e-01 0.000485 0.000060 True native_MD 4 169 175 - C_AB42_18 CD1_AB42_19 1 0.000000e+00 2.385154e-06 ; 3.028922e-01 -2.385154e-06 6.833656e-01 6.012374e-01 0.000485 0.000060 True native_MD 5 169 176 - C_AB42_18 CD2_AB42_19 1 0.000000e+00 2.385154e-06 ; 3.028922e-01 -2.385154e-06 6.833656e-01 6.012374e-01 0.000485 0.000060 True native_MD 5 169 177 - C_AB42_18 CE1_AB42_19 1 0.000000e+00 2.503692e-06 ; 3.041189e-01 -2.503692e-06 1.943463e-01 1.578345e-01 0.000485 0.000060 True native_MD 6 169 178 - C_AB42_18 CE2_AB42_19 1 0.000000e+00 2.503692e-06 ; 3.041189e-01 -2.503692e-06 1.943463e-01 1.578345e-01 0.000485 0.000060 True native_MD 6 169 179 + C_AB42_18 CB_AB42_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 169 174 + C_AB42_18 CG_AB42_19 1 0.000000e+00 2.584104e-06 ; 3.049211e-01 -2.584104e-06 9.483668e-01 9.428174e-01 0.000485 0.000060 True native_MD 4 169 175 + C_AB42_18 CD1_AB42_19 1 0.000000e+00 2.385112e-06 ; 3.028917e-01 -2.385112e-06 6.833656e-01 6.012374e-01 0.000485 0.000060 True native_MD 5 169 176 + C_AB42_18 CD2_AB42_19 1 0.000000e+00 2.385112e-06 ; 3.028917e-01 -2.385112e-06 6.833656e-01 6.012374e-01 0.000485 0.000060 True native_MD 5 169 177 + C_AB42_18 CE1_AB42_19 1 0.000000e+00 2.503647e-06 ; 3.041184e-01 -2.503647e-06 1.943463e-01 1.578345e-01 0.000485 0.000060 True native_MD 6 169 178 + C_AB42_18 CE2_AB42_19 1 0.000000e+00 2.503647e-06 ; 3.041184e-01 -2.503647e-06 1.943463e-01 1.578345e-01 0.000485 0.000060 True native_MD 6 169 179 C_AB42_18 CZ_AB42_19 1 3.473199e-03 2.034664e-05 ; 4.245809e-01 1.482199e-01 3.783912e-02 2.484474e-02 0.000485 0.003309 True native_MD 7 169 180 - C_AB42_18 O_AB42_19 1 0.000000e+00 7.601959e-07 ; 2.753629e-01 -7.601959e-07 9.498158e-01 8.691005e-01 0.000485 0.000060 True native_MD 4 169 182 - C_AB42_18 N_AB42_20 1 0.000000e+00 1.507461e-06 ; 2.915293e-01 -1.507461e-06 9.622743e-01 9.618185e-01 0.000485 0.000060 True native_MD 4 169 183 - C_AB42_18 CA_AB42_20 1 0.000000e+00 1.263803e-05 ; 3.480446e-01 -1.263803e-05 8.458306e-01 8.141237e-01 0.000485 0.000060 True native_MD 5 169 185 - C_AB42_18 CB_AB42_20 1 0.000000e+00 6.820446e-06 ; 3.306075e-01 -6.820446e-06 1.166747e-01 1.934805e-01 0.000485 0.000060 True native_MD 6 169 186 + C_AB42_18 O_AB42_19 1 0.000000e+00 7.601924e-07 ; 2.753628e-01 -7.601924e-07 9.498158e-01 8.691005e-01 0.000485 0.000060 True native_MD 4 169 182 + C_AB42_18 N_AB42_20 1 0.000000e+00 1.507440e-06 ; 2.915289e-01 -1.507440e-06 9.622743e-01 9.618185e-01 0.000485 0.000060 True native_MD 4 169 183 + C_AB42_18 CA_AB42_20 1 0.000000e+00 1.263797e-05 ; 3.480445e-01 -1.263797e-05 8.458306e-01 8.141237e-01 0.000485 0.000060 True native_MD 5 169 185 + C_AB42_18 CB_AB42_20 1 0.000000e+00 6.820331e-06 ; 3.306071e-01 -6.820331e-06 1.166747e-01 1.934805e-01 0.000485 0.000060 True native_MD 6 169 186 C_AB42_18 CG_AB42_20 1 2.225532e-03 9.216763e-06 ; 4.007352e-01 1.343474e-01 7.653595e-02 7.611254e-02 0.000485 0.003309 True native_MD 7 169 187 C_AB42_18 CD1_AB42_20 1 1.102495e-03 2.291853e-06 ; 3.572468e-01 1.325886e-01 1.070292e-01 1.121891e-01 0.000485 0.003309 True native_MD 7 169 188 C_AB42_18 CD2_AB42_20 1 1.102495e-03 2.291853e-06 ; 3.572468e-01 1.325886e-01 1.070292e-01 1.121891e-01 0.000485 0.003309 True native_MD 7 169 189 C_AB42_18 CE1_AB42_20 1 1.184869e-03 2.521071e-06 ; 3.586348e-01 1.392180e-01 9.337324e-02 8.026228e-02 0.000485 0.003309 True native_MD 7 169 190 C_AB42_18 CE2_AB42_20 1 1.184869e-03 2.521071e-06 ; 3.586348e-01 1.392180e-01 9.337324e-02 8.026228e-02 0.000485 0.003309 True native_MD 7 169 191 C_AB42_18 CZ_AB42_20 1 2.020383e-03 7.054219e-06 ; 3.894956e-01 1.446634e-01 6.501098e-02 4.747920e-02 0.000485 0.003309 True native_MD 7 169 192 - C_AB42_18 C_AB42_20 1 0.000000e+00 2.431064e-06 ; 3.033738e-01 -2.431064e-06 1.753888e-01 1.109281e-01 0.000485 0.000060 True native_MD 6 169 193 + C_AB42_18 C_AB42_20 1 0.000000e+00 2.431021e-06 ; 3.033733e-01 -2.431021e-06 1.753888e-01 1.109281e-01 0.000485 0.000060 True native_MD 6 169 193 C_AB42_18 O_AB42_20 1 7.507081e-04 1.341987e-06 ; 3.483744e-01 1.049866e-01 3.907308e-02 6.123336e-02 0.000485 0.002166 True native_MD 7 169 194 C_AB42_18 N_AB42_21 1 1.108192e-03 2.073045e-06 ; 3.510203e-01 1.481022e-01 2.645968e-01 1.141119e-01 0.000485 0.002166 True native_MD 7 169 195 C_AB42_18 CA_AB42_21 1 2.851856e-03 1.495811e-05 ; 4.168292e-01 1.359310e-01 3.171263e-01 1.216802e-01 0.000485 0.001339 True native_MD 7 169 197 - C_AB42_18 CB_AB42_21 1 0.000000e+00 3.693396e-06 ; 3.141332e-01 -3.693396e-06 3.137461e-01 9.523260e-02 0.000485 0.000060 True native_MD 7 169 198 + C_AB42_18 CB_AB42_21 1 0.000000e+00 3.693347e-06 ; 3.141328e-01 -3.693347e-06 3.137461e-01 9.523260e-02 0.000485 0.000060 True native_MD 7 169 198 C_AB42_18 C_AB42_21 1 2.039831e-03 8.196876e-06 ; 3.987271e-01 1.269053e-01 1.111776e-02 9.041625e-03 0.000485 0.002166 True native_MD 7 169 199 C_AB42_18 O_AB42_21 1 5.199997e-04 5.408131e-07 ; 3.183030e-01 1.249968e-01 9.503778e-03 8.183533e-03 0.000485 0.002166 True native_MD 7 169 200 C_AB42_18 N_AB42_22 1 9.940965e-04 2.407219e-06 ; 3.664498e-01 1.026317e-01 7.694183e-03 1.293820e-02 0.000485 0.002166 True native_MD 7 169 201 C_AB42_18 CA_AB42_22 1 2.730837e-03 2.035695e-05 ; 4.419802e-01 9.158386e-02 1.333875e-02 1.929602e-02 0.000485 0.001339 True native_MD 7 169 203 - C_AB42_18 CB_AB42_22 1 0.000000e+00 6.333358e-06 ; 3.285725e-01 -6.333358e-06 2.071769e-02 2.062254e-02 0.000485 0.000060 True native_MD 7 169 204 - C_AB42_18 CG_AB42_22 1 0.000000e+00 6.420067e-06 ; 3.289450e-01 -6.420067e-06 1.412097e-02 2.771527e-02 0.000485 0.000060 True native_MD 7 169 205 + C_AB42_18 CB_AB42_22 1 0.000000e+00 6.333252e-06 ; 3.285720e-01 -6.333252e-06 2.071769e-02 2.062254e-02 0.000485 0.000060 True native_MD 7 169 204 + C_AB42_18 CG_AB42_22 1 0.000000e+00 6.419959e-06 ; 3.289445e-01 -6.419959e-06 1.412097e-02 2.771527e-02 0.000485 0.000060 True native_MD 7 169 205 C_AB42_18 CD_AB42_22 1 1.778902e-03 7.415978e-06 ; 4.011770e-01 1.066782e-01 7.072340e-03 1.053604e-02 0.000485 0.002166 True native_MD 7 169 206 C_AB42_18 OE1_AB42_22 1 4.739173e-04 5.288465e-07 ; 3.220608e-01 1.061734e-01 3.303633e-03 4.996673e-03 0.000485 0.002166 True native_MD 7 169 207 C_AB42_18 OE2_AB42_22 1 4.739173e-04 5.288465e-07 ; 3.220608e-01 1.061734e-01 3.303633e-03 4.996673e-03 0.000485 0.002166 True native_MD 7 169 208 C_AB42_18 C_AB42_22 1 2.428407e-03 1.437319e-05 ; 4.253097e-01 1.025722e-01 1.285821e-03 6.771796e-04 0.000485 0.002166 True native_MD 7 169 209 C_AB42_18 O_AB42_22 1 7.329282e-04 1.128816e-06 ; 3.398289e-01 1.189707e-01 2.100417e-03 1.607560e-03 0.000485 0.002166 True native_MD 7 169 210 C_AB42_18 CA_AB42_23 1 3.820620e-03 2.929628e-05 ; 4.440649e-01 1.245647e-01 2.483190e-03 8.929496e-04 0.000485 0.001339 True native_MD 7 169 213 - C_AB42_18 CB_AB42_23 1 0.000000e+00 6.321015e-06 ; 3.285191e-01 -6.321015e-06 4.483457e-03 2.439557e-03 0.000485 0.000060 True native_MD 7 169 214 + C_AB42_18 CB_AB42_23 1 0.000000e+00 6.320909e-06 ; 3.285186e-01 -6.320909e-06 4.483457e-03 2.439557e-03 0.000485 0.000060 True native_MD 7 169 214 C_AB42_18 CG_AB42_23 1 2.260807e-03 9.843014e-06 ; 4.040894e-01 1.298192e-01 2.906028e-03 1.412154e-03 0.000485 0.002166 True native_MD 7 169 215 C_AB42_18 OD1_AB42_23 1 4.886007e-04 5.507570e-07 ; 3.226024e-01 1.083648e-01 1.529201e-03 8.522943e-04 0.000485 0.002166 True native_MD 7 169 216 C_AB42_18 OD2_AB42_23 1 4.886007e-04 5.507570e-07 ; 3.226024e-01 1.083648e-01 1.529201e-03 8.522943e-04 0.000485 0.002166 True native_MD 7 169 217 C_AB42_18 C_AB42_23 1 1.561525e-03 6.799316e-06 ; 4.040974e-01 8.965459e-02 8.735632e-04 6.118502e-05 0.000485 0.002166 True native_MD 7 169 218 C_AB42_18 O_AB42_23 1 6.627910e-04 1.144327e-06 ; 3.463609e-01 9.597170e-02 1.055348e-03 2.568476e-04 0.000485 0.002166 True native_MD 7 169 219 C_AB42_18 CA_AB42_24 1 3.109993e-03 2.015160e-05 ; 4.317758e-01 1.199912e-01 2.165554e-03 5.120657e-04 0.000485 0.001339 True native_MD 7 169 222 - C_AB42_18 CB_AB42_24 1 0.000000e+00 1.303791e-05 ; 3.489493e-01 -1.303791e-05 4.780808e-03 3.711986e-03 0.000485 0.000060 True native_MD 7 169 223 - C_AB42_18 CG1_AB42_24 1 0.000000e+00 4.726557e-06 ; 3.206568e-01 -4.726557e-06 3.793571e-03 3.887030e-03 0.000485 0.000060 True native_MD 7 169 224 - C_AB42_18 CG2_AB42_24 1 0.000000e+00 4.725362e-06 ; 3.206500e-01 -4.725362e-06 4.547987e-03 4.388473e-03 0.000485 0.000060 True native_MD 7 169 225 + C_AB42_18 CB_AB42_24 1 0.000000e+00 1.303785e-05 ; 3.489492e-01 -1.303785e-05 4.780808e-03 3.711986e-03 0.000485 0.000060 True native_MD 7 169 223 + C_AB42_18 CG1_AB42_24 1 0.000000e+00 4.726496e-06 ; 3.206564e-01 -4.726496e-06 3.793571e-03 3.887030e-03 0.000485 0.000060 True native_MD 7 169 224 + C_AB42_18 CG2_AB42_24 1 0.000000e+00 4.725300e-06 ; 3.206497e-01 -4.725300e-06 4.547987e-03 4.388473e-03 0.000485 0.000060 True native_MD 7 169 225 C_AB42_18 C_AB42_24 1 1.654925e-03 8.481050e-06 ; 4.152203e-01 8.073224e-02 6.688574e-04 1.600769e-04 0.000485 0.002166 True native_MD 7 169 226 C_AB42_18 N_AB42_25 1 6.899888e-04 1.255810e-06 ; 3.494194e-01 9.477637e-02 1.018264e-03 2.031414e-04 0.000485 0.002166 True native_MD 7 169 228 C_AB42_18 CA_AB42_25 1 1.513221e-03 4.613710e-06 ; 3.807951e-01 1.240780e-01 2.476464e-03 1.602762e-03 0.000485 0.001584 True native_MD 7 169 230 @@ -36745,7 +36745,7 @@ CG2_AB42_18 O2_AB42_42 1 0.000000e+00 1.216769e-06 ; 2.863710e-01 -1.216769 C_AB42_18 O_AB42_25 1 5.702537e-04 8.504649e-07 ; 3.380114e-01 9.559161e-02 1.043412e-03 3.655174e-04 0.000485 0.002166 True native_MD 7 169 232 C_AB42_18 N_AB42_26 1 6.577318e-04 1.414367e-06 ; 3.592683e-01 7.646728e-02 5.887125e-04 1.498742e-04 0.000485 0.002166 True native_MD 7 169 233 C_AB42_18 CA_AB42_26 1 3.838004e-03 2.432129e-05 ; 4.301767e-01 1.514134e-01 5.545650e-03 1.046814e-03 0.000485 0.001339 True native_MD 7 169 235 - C_AB42_18 CB_AB42_26 1 0.000000e+00 6.298840e-06 ; 3.284229e-01 -6.298840e-06 7.719067e-03 2.174124e-03 0.000485 0.000060 True native_MD 7 169 236 + C_AB42_18 CB_AB42_26 1 0.000000e+00 6.298734e-06 ; 3.284224e-01 -6.298734e-06 7.719067e-03 2.174124e-03 0.000485 0.000060 True native_MD 7 169 236 C_AB42_18 OG_AB42_26 1 7.920221e-04 1.022019e-06 ; 3.299541e-01 1.534461e-01 5.893469e-03 1.205579e-03 0.000485 0.002166 True native_MD 7 169 237 C_AB42_18 C_AB42_26 1 3.068838e-03 1.506509e-05 ; 4.122554e-01 1.562846e-01 6.415963e-03 5.238702e-05 0.000485 0.002166 True native_MD 7 169 238 C_AB42_18 O_AB42_26 1 9.727694e-04 1.163898e-06 ; 3.258248e-01 2.032567e-01 2.616635e-02 2.145473e-04 0.000485 0.002166 True native_MD 7 169 239 @@ -36761,8 +36761,8 @@ CG2_AB42_18 O2_AB42_42 1 0.000000e+00 1.216769e-06 ; 2.863710e-01 -1.216769 C_AB42_18 CA_AB42_28 1 3.792421e-03 2.371112e-05 ; 4.292127e-01 1.516425e-01 5.583811e-03 1.303152e-04 0.000485 0.001339 True native_MD 7 169 251 C_AB42_18 CB_AB42_28 1 1.564435e-03 6.774141e-06 ; 4.037223e-01 9.032353e-02 4.398527e-03 2.947152e-04 0.000485 0.000060 True native_MD 7 169 252 C_AB42_18 CG_AB42_28 1 1.793840e-03 9.971405e-06 ; 4.208837e-01 8.067721e-02 2.771263e-03 2.478238e-04 0.000485 0.000060 True native_MD 7 169 253 - C_AB42_18 CD_AB42_28 1 0.000000e+00 6.325892e-06 ; 3.285402e-01 -6.325892e-06 1.948171e-03 6.742523e-04 0.000485 0.000060 True native_MD 7 169 254 - C_AB42_18 CE_AB42_28 1 0.000000e+00 6.330323e-06 ; 3.285593e-01 -6.330323e-06 1.923171e-03 1.348754e-03 0.000485 0.000060 True native_MD 7 169 255 + C_AB42_18 CD_AB42_28 1 0.000000e+00 6.325786e-06 ; 3.285397e-01 -6.325786e-06 1.948171e-03 6.742523e-04 0.000485 0.000060 True native_MD 7 169 254 + C_AB42_18 CE_AB42_28 1 0.000000e+00 6.330216e-06 ; 3.285589e-01 -6.330216e-06 1.923171e-03 1.348754e-03 0.000485 0.000060 True native_MD 7 169 255 C_AB42_18 NZ_AB42_28 1 8.267029e-04 1.981692e-06 ; 3.658315e-01 8.621895e-02 7.882108e-04 4.833658e-04 0.000485 0.002166 True native_MD 7 169 256 C_AB42_18 C_AB42_28 1 2.754848e-03 1.555808e-05 ; 4.219973e-01 1.219493e-01 2.296245e-03 7.174313e-05 0.000485 0.002166 True native_MD 7 169 257 C_AB42_18 O_AB42_28 1 7.756698e-04 1.163916e-06 ; 3.383562e-01 1.292326e-01 2.855461e-03 6.387150e-05 0.000485 0.002166 True native_MD 7 169 258 @@ -36777,10 +36777,10 @@ CG2_AB42_18 O2_AB42_42 1 0.000000e+00 1.216769e-06 ; 2.863710e-01 -1.216769 C_AB42_18 O_AB42_30 1 6.546800e-04 8.091022e-07 ; 3.275888e-01 1.324326e-01 3.142428e-03 1.494833e-04 0.000485 0.002166 True native_MD 7 169 269 C_AB42_18 N_AB42_31 1 1.306982e-03 3.190585e-06 ; 3.669443e-01 1.338472e-01 3.278313e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 169 270 C_AB42_18 CA_AB42_31 1 5.107229e-03 4.182875e-05 ; 4.489675e-01 1.558963e-01 6.341845e-03 7.620063e-05 0.000485 0.001339 True native_MD 7 169 272 - C_AB42_18 CB_AB42_31 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 169 273 + C_AB42_18 CB_AB42_31 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 169 273 C_AB42_18 CG1_AB42_31 1 8.083174e-04 2.153362e-06 ; 3.723253e-01 7.585544e-02 7.590257e-03 7.841310e-04 0.000485 0.000060 True native_MD 7 169 274 C_AB42_18 CG2_AB42_31 1 1.019881e-03 3.066455e-06 ; 3.799104e-01 8.480130e-02 7.345803e-03 5.806376e-04 0.000485 0.000060 True native_MD 7 169 275 - C_AB42_18 CD_AB42_31 1 0.000000e+00 4.686210e-06 ; 3.204278e-01 -4.686210e-06 1.014697e-02 1.703377e-03 0.000485 0.000060 True native_MD 7 169 276 + C_AB42_18 CD_AB42_31 1 0.000000e+00 4.686149e-06 ; 3.204274e-01 -4.686149e-06 1.014697e-02 1.703377e-03 0.000485 0.000060 True native_MD 7 169 276 C_AB42_18 O_AB42_31 1 3.170137e-04 3.509364e-07 ; 3.216314e-01 7.159253e-02 5.088007e-04 9.995280e-05 0.000485 0.002166 True native_MD 7 169 278 C_AB42_18 CA_AB42_32 1 4.114297e-03 3.149922e-05 ; 4.439500e-01 1.343481e-01 3.327824e-03 1.654837e-04 0.000485 0.001339 True native_MD 7 169 281 C_AB42_18 CB_AB42_32 1 2.610618e-03 1.550358e-05 ; 4.255476e-01 1.098992e-01 7.447934e-03 2.777873e-04 0.000485 0.000060 True native_MD 7 169 282 @@ -36851,18 +36851,18 @@ CG2_AB42_18 O2_AB42_42 1 0.000000e+00 1.216769e-06 ; 2.863710e-01 -1.216769 C_AB42_18 CB_AB42_42 1 1.001833e-03 2.956760e-06 ; 3.787362e-01 8.486222e-02 4.042518e-03 3.189525e-04 0.000485 0.000060 True native_MD 7 169 357 O_AB42_18 O_AB42_18 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 170 O_AB42_18 H_AB42_19 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 172 - O_AB42_18 CB_AB42_19 1 0.000000e+00 2.015656e-06 ; 2.986733e-01 -2.015656e-06 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 170 174 - O_AB42_18 CG_AB42_19 1 0.000000e+00 8.141879e-07 ; 2.769419e-01 -8.141879e-07 4.444708e-01 4.290466e-01 0.000485 0.000060 True native_MD 5 170 175 - O_AB42_18 CD1_AB42_19 1 0.000000e+00 8.290050e-07 ; 2.773585e-01 -8.290050e-07 2.385819e-01 2.410756e-01 0.000485 0.000060 True native_MD 6 170 176 - O_AB42_18 CD2_AB42_19 1 0.000000e+00 8.290050e-07 ; 2.773585e-01 -8.290050e-07 2.385819e-01 2.410756e-01 0.000485 0.000060 True native_MD 6 170 177 + O_AB42_18 CB_AB42_19 1 0.000000e+00 2.015649e-06 ; 2.986732e-01 -2.015649e-06 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 170 174 + O_AB42_18 CG_AB42_19 1 0.000000e+00 8.141842e-07 ; 2.769418e-01 -8.141842e-07 4.444708e-01 4.290466e-01 0.000485 0.000060 True native_MD 5 170 175 + O_AB42_18 CD1_AB42_19 1 0.000000e+00 8.290012e-07 ; 2.773584e-01 -8.290012e-07 2.385819e-01 2.410756e-01 0.000485 0.000060 True native_MD 6 170 176 + O_AB42_18 CD2_AB42_19 1 0.000000e+00 8.290012e-07 ; 2.773584e-01 -8.290012e-07 2.385819e-01 2.410756e-01 0.000485 0.000060 True native_MD 6 170 177 O_AB42_18 CE1_AB42_19 1 7.622288e-04 1.143585e-06 ; 3.383482e-01 1.270113e-01 4.618388e-02 5.720565e-02 0.000485 0.003309 True native_MD 7 170 178 O_AB42_18 CE2_AB42_19 1 7.622288e-04 1.143585e-06 ; 3.383482e-01 1.270113e-01 4.618388e-02 5.720565e-02 0.000485 0.003309 True native_MD 7 170 179 O_AB42_18 CZ_AB42_19 1 1.361628e-03 3.666620e-06 ; 3.729935e-01 1.264129e-01 1.230923e-02 1.552231e-02 0.000485 0.003309 True native_MD 7 170 180 - O_AB42_18 C_AB42_19 1 0.000000e+00 8.211129e-07 ; 2.771375e-01 -8.211129e-07 9.998989e-01 9.928489e-01 0.000485 0.000060 True native_MD 4 170 181 + O_AB42_18 C_AB42_19 1 0.000000e+00 8.211091e-07 ; 2.771374e-01 -8.211091e-07 9.998989e-01 9.928489e-01 0.000485 0.000060 True native_MD 4 170 181 O_AB42_18 O_AB42_19 1 0.000000e+00 1.356149e-06 ; 2.889708e-01 -1.356149e-06 8.882967e-01 7.923962e-01 0.000485 0.000060 True native_MD 5 170 182 O_AB42_18 N_AB42_20 1 0.000000e+00 1.437462e-06 ; 2.903764e-01 -1.437462e-06 8.991062e-01 8.574139e-01 0.000485 0.000060 True native_MD 5 170 183 - O_AB42_18 H_AB42_20 1 0.000000e+00 1.417312e-08 ; 1.975986e-01 -1.417312e-08 2.236841e-01 1.371241e-01 0.000485 0.000060 True native_MD 6 170 184 - O_AB42_18 CA_AB42_20 1 0.000000e+00 3.730930e-06 ; 3.143980e-01 -3.730930e-06 5.860063e-01 4.842692e-01 0.000485 0.000060 True native_MD 6 170 185 + O_AB42_18 H_AB42_20 1 0.000000e+00 1.417334e-08 ; 1.975988e-01 -1.417334e-08 2.236841e-01 1.371241e-01 0.000485 0.000060 True native_MD 6 170 184 + O_AB42_18 CA_AB42_20 1 0.000000e+00 3.730960e-06 ; 3.143982e-01 -3.730960e-06 5.860063e-01 4.842692e-01 0.000485 0.000060 True native_MD 6 170 185 O_AB42_18 CB_AB42_20 1 9.960110e-04 2.876710e-06 ; 3.773740e-01 8.621290e-02 7.677637e-02 1.159882e-01 0.000485 0.001191 True native_MD 7 170 186 O_AB42_18 CG_AB42_20 1 9.401804e-04 1.764922e-06 ; 3.512252e-01 1.252094e-01 8.486514e-02 1.109420e-01 0.000485 0.003309 True native_MD 7 170 187 O_AB42_18 CD1_AB42_20 1 3.392087e-04 2.263752e-07 ; 2.956153e-01 1.270706e-01 1.015959e-01 1.256183e-01 0.000485 0.003309 True native_MD 7 170 188 @@ -36882,8 +36882,8 @@ CG2_AB42_18 O2_AB42_42 1 0.000000e+00 1.216769e-06 ; 2.863710e-01 -1.216769 O_AB42_18 H_AB42_22 1 5.865029e-06 7.250475e-11 ; 1.520604e-01 1.186079e-01 7.109022e-03 1.818872e-02 0.000485 0.005316 True native_MD 7 170 202 O_AB42_18 CA_AB42_22 1 5.100586e-04 9.016850e-07 ; 3.477276e-01 7.213156e-02 1.452561e-02 3.761075e-02 0.000485 0.001339 True native_MD 7 170 203 O_AB42_18 CB_AB42_22 1 2.111601e-04 1.576797e-07 ; 3.012039e-01 7.069487e-02 1.499231e-02 3.603607e-02 0.000485 0.001191 True native_MD 7 170 204 - O_AB42_18 CG_AB42_22 1 0.000000e+00 2.078639e-06 ; 2.994401e-01 -2.078639e-06 1.138669e-02 4.263343e-02 0.000485 0.001191 True native_MD 7 170 205 - O_AB42_18 CD_AB42_22 1 0.000000e+00 8.420242e-07 ; 2.777189e-01 -8.420242e-07 4.635748e-03 2.287326e-02 0.000485 0.002166 True native_MD 7 170 206 + O_AB42_18 CG_AB42_22 1 0.000000e+00 2.078631e-06 ; 2.994400e-01 -2.078631e-06 1.138669e-02 4.263343e-02 0.000485 0.001191 True native_MD 7 170 205 + O_AB42_18 CD_AB42_22 1 0.000000e+00 8.420203e-07 ; 2.777188e-01 -8.420203e-07 4.635748e-03 2.287326e-02 0.000485 0.002166 True native_MD 7 170 206 O_AB42_18 OE1_AB42_22 1 0.000000e+00 1.528865e-06 ; 2.918720e-01 -1.528865e-06 6.856994e-03 2.610060e-02 0.000485 0.000060 True native_MD 7 170 207 O_AB42_18 OE2_AB42_22 1 0.000000e+00 1.528865e-06 ; 2.918720e-01 -1.528865e-06 6.856994e-03 2.610060e-02 0.000485 0.000060 True native_MD 7 170 208 O_AB42_18 C_AB42_22 1 7.279820e-04 1.254129e-06 ; 3.462344e-01 1.056426e-01 2.308640e-03 3.547652e-03 0.000485 0.002166 True native_MD 7 170 209 @@ -37037,31 +37037,31 @@ CG2_AB42_18 O2_AB42_42 1 0.000000e+00 1.216769e-06 ; 2.863710e-01 -1.216769 O_AB42_18 C_AB42_42 1 8.657223e-04 2.460545e-06 ; 3.763646e-01 7.614930e-02 5.831369e-04 5.034854e-05 0.000485 0.002166 True native_MD 7 170 358 O_AB42_18 O1_AB42_42 1 9.130989e-04 2.432710e-06 ; 3.723306e-01 8.568114e-02 1.326188e-03 1.021024e-04 0.000485 0.000060 True native_MD 7 170 359 O_AB42_18 O2_AB42_42 1 9.130989e-04 2.432710e-06 ; 3.723306e-01 8.568114e-02 1.326188e-03 1.021024e-04 0.000485 0.000060 True native_MD 7 170 360 - N_AB42_19 CB_AB42_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 174 - N_AB42_19 CD1_AB42_19 1 0.000000e+00 1.462763e-06 ; 2.907989e-01 -1.462763e-06 9.176120e-01 8.875183e-01 0.000485 0.000060 True native_MD 4 171 176 - N_AB42_19 CD2_AB42_19 1 0.000000e+00 1.462763e-06 ; 2.907989e-01 -1.462763e-06 9.176120e-01 8.875183e-01 0.000485 0.000060 True native_MD 4 171 177 - N_AB42_19 CE1_AB42_19 1 0.000000e+00 1.336334e-06 ; 2.886166e-01 -1.336334e-06 4.372135e-01 3.232895e-01 0.000485 0.000060 True native_MD 5 171 178 - N_AB42_19 CE2_AB42_19 1 0.000000e+00 1.336334e-06 ; 2.886166e-01 -1.336334e-06 4.372135e-01 3.232895e-01 0.000485 0.000060 True native_MD 5 171 179 - N_AB42_19 CZ_AB42_19 1 0.000000e+00 1.496586e-06 ; 2.913534e-01 -1.496586e-06 3.481248e-02 2.714543e-02 0.000485 0.000060 True native_MD 6 171 180 - N_AB42_19 CA_AB42_20 1 0.000000e+00 7.574829e-06 ; 3.335104e-01 -7.574829e-06 1.000000e+00 9.999781e-01 0.000485 0.000060 True native_MD 4 171 185 - N_AB42_19 CB_AB42_20 1 0.000000e+00 4.166918e-06 ; 3.173069e-01 -4.166918e-06 1.825404e-01 3.160619e-01 0.000485 0.000060 True native_MD 5 171 186 - N_AB42_19 CG_AB42_20 1 0.000000e+00 1.509968e-06 ; 2.915697e-01 -1.509968e-06 4.053581e-02 4.174218e-02 0.000485 0.000060 True native_MD 6 171 187 + N_AB42_19 CB_AB42_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 174 + N_AB42_19 CD1_AB42_19 1 0.000000e+00 1.462742e-06 ; 2.907986e-01 -1.462742e-06 9.176120e-01 8.875183e-01 0.000485 0.000060 True native_MD 4 171 176 + N_AB42_19 CD2_AB42_19 1 0.000000e+00 1.462742e-06 ; 2.907986e-01 -1.462742e-06 9.176120e-01 8.875183e-01 0.000485 0.000060 True native_MD 4 171 177 + N_AB42_19 CE1_AB42_19 1 0.000000e+00 1.336316e-06 ; 2.886162e-01 -1.336316e-06 4.372135e-01 3.232895e-01 0.000485 0.000060 True native_MD 5 171 178 + N_AB42_19 CE2_AB42_19 1 0.000000e+00 1.336316e-06 ; 2.886162e-01 -1.336316e-06 4.372135e-01 3.232895e-01 0.000485 0.000060 True native_MD 5 171 179 + N_AB42_19 CZ_AB42_19 1 0.000000e+00 1.496565e-06 ; 2.913531e-01 -1.496565e-06 3.481248e-02 2.714543e-02 0.000485 0.000060 True native_MD 6 171 180 + N_AB42_19 CA_AB42_20 1 0.000000e+00 7.574817e-06 ; 3.335104e-01 -7.574817e-06 1.000000e+00 9.999781e-01 0.000485 0.000060 True native_MD 4 171 185 + N_AB42_19 CB_AB42_20 1 0.000000e+00 4.166863e-06 ; 3.173066e-01 -4.166863e-06 1.825404e-01 3.160619e-01 0.000485 0.000060 True native_MD 5 171 186 + N_AB42_19 CG_AB42_20 1 0.000000e+00 1.509947e-06 ; 2.915693e-01 -1.509947e-06 4.053581e-02 4.174218e-02 0.000485 0.000060 True native_MD 6 171 187 N_AB42_19 CD1_AB42_20 1 1.421028e-03 3.900202e-06 ; 3.741801e-01 1.294370e-01 6.657566e-02 7.668879e-02 0.000485 0.003309 True native_MD 7 171 188 N_AB42_19 CD2_AB42_20 1 1.421028e-03 3.900202e-06 ; 3.741801e-01 1.294370e-01 6.657566e-02 7.668879e-02 0.000485 0.003309 True native_MD 7 171 189 N_AB42_19 CE1_AB42_20 1 1.580163e-03 4.397039e-06 ; 3.750390e-01 1.419658e-01 2.285043e-02 1.809165e-02 0.000485 0.003309 True native_MD 7 171 190 N_AB42_19 CE2_AB42_20 1 1.580163e-03 4.397039e-06 ; 3.750390e-01 1.419658e-01 2.285043e-02 1.809165e-02 0.000485 0.003309 True native_MD 7 171 191 N_AB42_19 CZ_AB42_20 1 1.860612e-03 5.520136e-06 ; 3.790667e-01 1.567841e-01 6.512592e-03 3.133569e-03 0.000485 0.003309 True native_MD 7 171 192 - N_AB42_19 C_AB42_20 1 0.000000e+00 1.492191e-06 ; 2.912820e-01 -1.492191e-06 8.495795e-02 7.437678e-02 0.000485 0.000060 True native_MD 5 171 193 + N_AB42_19 C_AB42_20 1 0.000000e+00 1.492170e-06 ; 2.912817e-01 -1.492170e-06 8.495795e-02 7.437678e-02 0.000485 0.000060 True native_MD 5 171 193 N_AB42_19 O_AB42_20 1 0.000000e+00 1.523492e-06 ; 2.917864e-01 -1.523492e-06 9.457099e-02 1.102323e-01 0.000485 0.000060 True native_MD 6 171 194 - N_AB42_19 N_AB42_21 1 0.000000e+00 8.090371e-07 ; 2.767955e-01 -8.090371e-07 1.483158e-01 7.261910e-02 0.000485 0.000060 True native_MD 6 171 195 + N_AB42_19 N_AB42_21 1 0.000000e+00 8.090287e-07 ; 2.767953e-01 -8.090287e-07 1.483158e-01 7.261910e-02 0.000485 0.000060 True native_MD 6 171 195 N_AB42_19 CA_AB42_21 1 5.875298e-03 5.518894e-05 ; 4.593429e-01 1.563679e-01 1.777687e-01 3.700296e-02 0.000485 0.001339 True native_MD 7 171 197 N_AB42_19 CB_AB42_21 1 1.523434e-03 6.778491e-06 ; 4.055567e-01 8.559613e-02 1.670297e-01 1.289227e-02 0.000485 0.000060 True native_MD 7 171 198 N_AB42_19 C_AB42_21 1 1.361047e-03 5.865104e-06 ; 4.033980e-01 7.896056e-02 6.343188e-04 2.683420e-04 0.000485 0.002166 True native_MD 7 171 199 N_AB42_19 O_AB42_21 1 6.140331e-04 7.894977e-07 ; 3.297564e-01 1.193913e-01 4.219670e-03 4.297170e-03 0.000485 0.002166 True native_MD 7 171 200 - N_AB42_19 N_AB42_22 1 0.000000e+00 8.746700e-07 ; 2.786006e-01 -8.746700e-07 1.047239e-03 3.343912e-04 0.000485 0.000060 True native_MD 7 171 201 + N_AB42_19 N_AB42_22 1 0.000000e+00 8.746609e-07 ; 2.786003e-01 -8.746609e-07 1.047239e-03 3.343912e-04 0.000485 0.000060 True native_MD 7 171 201 N_AB42_19 CA_AB42_22 1 4.512091e-03 3.763683e-05 ; 4.503386e-01 1.352330e-01 9.502773e-03 3.723186e-03 0.000485 0.001339 True native_MD 7 171 203 - N_AB42_19 CB_AB42_22 1 0.000000e+00 3.628444e-06 ; 3.136691e-01 -3.628444e-06 2.297157e-02 1.001271e-02 0.000485 0.000060 True native_MD 7 171 204 - N_AB42_19 CG_AB42_22 1 0.000000e+00 3.668661e-06 ; 3.139573e-01 -3.668661e-06 1.663447e-02 1.461581e-02 0.000485 0.000060 True native_MD 7 171 205 + N_AB42_19 CB_AB42_22 1 0.000000e+00 3.628396e-06 ; 3.136687e-01 -3.628396e-06 2.297157e-02 1.001271e-02 0.000485 0.000060 True native_MD 7 171 204 + N_AB42_19 CG_AB42_22 1 0.000000e+00 3.668613e-06 ; 3.139570e-01 -3.668613e-06 1.663447e-02 1.461581e-02 0.000485 0.000060 True native_MD 7 171 205 N_AB42_19 CD_AB42_22 1 5.018964e-04 5.310616e-07 ; 3.192188e-01 1.185832e-01 6.972250e-03 7.273911e-03 0.000485 0.002166 True native_MD 7 171 206 N_AB42_19 OE1_AB42_22 1 1.118129e-04 3.080280e-08 ; 2.550839e-01 1.014691e-01 6.767808e-03 1.178376e-02 0.000485 0.002166 True native_MD 7 171 207 N_AB42_19 OE2_AB42_22 1 1.118129e-04 3.080280e-08 ; 2.550839e-01 1.014691e-01 6.767808e-03 1.178376e-02 0.000485 0.002166 True native_MD 7 171 208 @@ -37069,7 +37069,7 @@ CG2_AB42_18 O2_AB42_42 1 0.000000e+00 1.216769e-06 ; 2.863710e-01 -1.216769 N_AB42_19 O_AB42_22 1 1.397259e-04 4.192113e-08 ; 2.587375e-01 1.164289e-01 3.215368e-03 3.577963e-03 0.000485 0.002166 True native_MD 7 171 210 N_AB42_19 N_AB42_23 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.480529e-04 2.241998e-05 0.000485 0.000060 True native_MD 7 171 211 N_AB42_19 CA_AB42_23 1 1.816259e-03 6.375270e-06 ; 3.898404e-01 1.293591e-01 2.866296e-03 8.807617e-04 0.000485 0.001339 True native_MD 7 171 213 - N_AB42_19 CB_AB42_23 1 0.000000e+00 3.669216e-06 ; 3.139613e-01 -3.669216e-06 3.773814e-03 1.906027e-03 0.000485 0.000060 True native_MD 7 171 214 + N_AB42_19 CB_AB42_23 1 0.000000e+00 3.669167e-06 ; 3.139609e-01 -3.669167e-06 3.773814e-03 1.906027e-03 0.000485 0.000060 True native_MD 7 171 214 N_AB42_19 CG_AB42_23 1 7.515457e-04 1.081597e-06 ; 3.360096e-01 1.305526e-01 2.970515e-03 1.377345e-03 0.000485 0.002166 True native_MD 7 171 215 N_AB42_19 OD1_AB42_23 1 1.249987e-04 3.163706e-08 ; 2.515061e-01 1.234681e-01 3.788447e-03 3.414938e-03 0.000485 0.002166 True native_MD 7 171 216 N_AB42_19 OD2_AB42_23 1 1.249987e-04 3.163706e-08 ; 2.515061e-01 1.234681e-01 3.788447e-03 3.414938e-03 0.000485 0.002166 True native_MD 7 171 217 @@ -37077,9 +37077,9 @@ CG2_AB42_18 O2_AB42_42 1 0.000000e+00 1.216769e-06 ; 2.863710e-01 -1.216769 N_AB42_19 O_AB42_23 1 1.499838e-04 6.221982e-08 ; 2.730952e-01 9.038575e-02 8.928878e-04 6.176473e-04 0.000485 0.002166 True native_MD 7 171 219 N_AB42_19 N_AB42_24 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 6.712686e-06 9.448258e-07 0.000485 0.000060 True native_MD 7 171 220 N_AB42_19 CA_AB42_24 1 3.224176e-03 2.941683e-05 ; 4.571192e-01 8.834496e-02 8.399889e-04 3.096916e-04 0.000485 0.001339 True native_MD 7 171 222 - N_AB42_19 CB_AB42_24 1 0.000000e+00 7.575339e-06 ; 3.335123e-01 -7.575339e-06 1.479201e-03 1.524693e-03 0.000485 0.000060 True native_MD 7 171 223 - N_AB42_19 CG1_AB42_24 1 0.000000e+00 2.746645e-06 ; 3.064751e-01 -2.746645e-06 1.146303e-03 2.502178e-03 0.000485 0.000060 True native_MD 7 171 224 - N_AB42_19 CG2_AB42_24 1 0.000000e+00 2.743403e-06 ; 3.064449e-01 -2.743403e-06 2.149262e-03 2.323009e-03 0.000485 0.000060 True native_MD 7 171 225 + N_AB42_19 CB_AB42_24 1 0.000000e+00 7.575328e-06 ; 3.335122e-01 -7.575328e-06 1.479201e-03 1.524693e-03 0.000485 0.000060 True native_MD 7 171 223 + N_AB42_19 CG1_AB42_24 1 0.000000e+00 2.746619e-06 ; 3.064749e-01 -2.746619e-06 1.146303e-03 2.502178e-03 0.000485 0.000060 True native_MD 7 171 224 + N_AB42_19 CG2_AB42_24 1 0.000000e+00 2.743377e-06 ; 3.064447e-01 -2.743377e-06 2.149262e-03 2.323009e-03 0.000485 0.000060 True native_MD 7 171 225 N_AB42_19 O_AB42_24 1 8.025606e-05 1.958392e-08 ; 2.499791e-01 8.222354e-02 6.993835e-04 9.541602e-04 0.000485 0.002166 True native_MD 7 171 227 N_AB42_19 N_AB42_25 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.532412e-04 2.165828e-04 0.000485 0.000060 True native_MD 7 171 228 N_AB42_19 CA_AB42_25 1 1.662768e-03 5.844266e-06 ; 3.899268e-01 1.182697e-01 2.056813e-03 1.396961e-03 0.000485 0.001584 True native_MD 7 171 230 @@ -37087,7 +37087,7 @@ CG2_AB42_18 O2_AB42_42 1 0.000000e+00 1.216769e-06 ; 2.863710e-01 -1.216769 N_AB42_19 O_AB42_25 1 1.067199e-04 3.198152e-08 ; 2.586876e-01 8.902910e-02 8.573635e-04 7.937839e-04 0.000485 0.002166 True native_MD 7 171 232 N_AB42_19 N_AB42_26 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.112878e-04 5.801447e-05 0.000485 0.000060 True native_MD 7 171 233 N_AB42_19 CA_AB42_26 1 2.569774e-03 1.451654e-05 ; 4.220152e-01 1.137278e-01 1.795419e-03 9.135164e-04 0.000485 0.001339 True native_MD 7 171 235 - N_AB42_19 CB_AB42_26 1 0.000000e+00 3.673398e-06 ; 3.139911e-01 -3.673398e-06 2.091189e-03 1.361158e-03 0.000485 0.000060 True native_MD 7 171 236 + N_AB42_19 CB_AB42_26 1 0.000000e+00 3.673350e-06 ; 3.139908e-01 -3.673350e-06 2.091189e-03 1.361158e-03 0.000485 0.000060 True native_MD 7 171 236 N_AB42_19 OG_AB42_26 1 2.468393e-04 1.203291e-07 ; 2.805387e-01 1.265896e-01 2.638312e-03 1.082304e-03 0.000485 0.002166 True native_MD 7 171 237 N_AB42_19 O_AB42_26 1 3.927184e-04 3.099043e-07 ; 3.039889e-01 1.244156e-01 2.472133e-03 2.422386e-04 0.000485 0.002166 True native_MD 7 171 239 N_AB42_19 N_AB42_27 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 6.841861e-06 0.000000e+00 0.000485 0.000060 True native_MD 7 171 240 @@ -37099,10 +37099,10 @@ CG2_AB42_18 O2_AB42_42 1 0.000000e+00 1.216769e-06 ; 2.863710e-01 -1.216769 N_AB42_19 O_AB42_27 1 1.802309e-04 8.636951e-08 ; 2.797404e-01 9.402382e-02 9.955882e-04 1.127670e-04 0.000485 0.002166 True native_MD 7 171 248 N_AB42_19 N_AB42_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 8.032772e-05 0.000000e+00 0.000485 0.000060 True native_MD 7 171 249 N_AB42_19 CA_AB42_28 1 3.331471e-03 2.579530e-05 ; 4.447856e-01 1.075651e-01 1.493041e-03 1.476628e-07 0.000485 0.001339 True native_MD 7 171 251 - N_AB42_19 CB_AB42_28 1 0.000000e+00 3.674312e-06 ; 3.139976e-01 -3.674312e-06 5.892613e-04 1.078116e-04 0.000485 0.000060 True native_MD 7 171 252 - N_AB42_19 CG_AB42_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 253 - N_AB42_19 CD_AB42_28 1 0.000000e+00 3.676116e-06 ; 3.140104e-01 -3.676116e-06 5.427207e-04 5.519871e-04 0.000485 0.000060 True native_MD 7 171 254 - N_AB42_19 CE_AB42_28 1 0.000000e+00 3.675377e-06 ; 3.140052e-01 -3.675377e-06 1.023985e-03 8.323396e-04 0.000485 0.000060 True native_MD 7 171 255 + N_AB42_19 CB_AB42_28 1 0.000000e+00 3.674263e-06 ; 3.139973e-01 -3.674263e-06 5.892613e-04 1.078116e-04 0.000485 0.000060 True native_MD 7 171 252 + N_AB42_19 CG_AB42_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 253 + N_AB42_19 CD_AB42_28 1 0.000000e+00 3.676067e-06 ; 3.140101e-01 -3.676067e-06 5.427207e-04 5.519871e-04 0.000485 0.000060 True native_MD 7 171 254 + N_AB42_19 CE_AB42_28 1 0.000000e+00 3.675329e-06 ; 3.140048e-01 -3.675329e-06 1.023985e-03 8.323396e-04 0.000485 0.000060 True native_MD 7 171 255 N_AB42_19 NZ_AB42_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.623053e-04 4.604817e-04 0.000485 0.000060 True native_MD 7 171 256 N_AB42_19 C_AB42_28 1 8.978127e-04 1.988914e-06 ; 3.610536e-01 1.013201e-01 1.238530e-03 4.653790e-05 0.000485 0.002166 True native_MD 7 171 257 N_AB42_19 O_AB42_28 1 1.500475e-04 4.641483e-08 ; 2.600587e-01 1.212664e-01 2.249793e-03 2.099663e-04 0.000485 0.002166 True native_MD 7 171 258 @@ -37126,7 +37126,7 @@ CG2_AB42_18 O2_AB42_42 1 0.000000e+00 1.216769e-06 ; 2.863710e-01 -1.216769 N_AB42_19 CA_AB42_32 1 3.886341e-03 2.969098e-05 ; 4.437932e-01 1.271736e-01 2.684831e-03 5.594081e-05 0.000485 0.001339 True native_MD 7 171 281 N_AB42_19 CB_AB42_32 1 1.479214e-03 5.392853e-06 ; 3.923117e-01 1.014340e-01 4.403010e-03 2.115662e-04 0.000485 0.000060 True native_MD 7 171 282 N_AB42_19 CG1_AB42_32 1 7.927820e-04 1.427078e-06 ; 3.487779e-01 1.101031e-01 5.766335e-03 2.137598e-04 0.000485 0.000060 True native_MD 7 171 283 - N_AB42_19 CG2_AB42_32 1 0.000000e+00 2.732683e-06 ; 3.063450e-01 -2.732683e-06 4.314301e-03 5.797904e-04 0.000485 0.000060 True native_MD 7 171 284 + N_AB42_19 CG2_AB42_32 1 0.000000e+00 2.732657e-06 ; 3.063447e-01 -2.732657e-06 4.314301e-03 5.797904e-04 0.000485 0.000060 True native_MD 7 171 284 N_AB42_19 CD_AB42_32 1 6.895507e-04 1.296525e-06 ; 3.513197e-01 9.168355e-02 9.942038e-03 6.395801e-04 0.000485 0.000060 True native_MD 7 171 285 N_AB42_19 C_AB42_32 1 1.011278e-03 2.461461e-06 ; 3.667643e-01 1.038696e-01 1.336725e-03 8.220282e-05 0.000485 0.002166 True native_MD 7 171 286 N_AB42_19 O_AB42_32 1 2.236215e-04 8.569517e-08 ; 2.695093e-01 1.458850e-01 4.700046e-03 1.500284e-04 0.000485 0.002166 True native_MD 7 171 287 @@ -37139,7 +37139,7 @@ CG2_AB42_18 O2_AB42_42 1 0.000000e+00 1.216769e-06 ; 2.863710e-01 -1.216769 N_AB42_19 CB_AB42_34 1 1.540509e-03 5.575657e-06 ; 3.918369e-01 1.064076e-01 2.030275e-03 8.406413e-05 0.000485 0.000060 True native_MD 7 171 296 N_AB42_19 CG_AB42_34 1 2.348174e-03 1.717110e-05 ; 4.405663e-01 8.027906e-02 2.640735e-03 2.389817e-04 0.000485 0.000060 True native_MD 7 171 297 N_AB42_19 CD1_AB42_34 1 9.008040e-04 2.628526e-06 ; 3.780190e-01 7.717710e-02 4.050237e-03 4.021939e-04 0.000485 0.000060 True native_MD 7 171 298 - N_AB42_19 CD2_AB42_34 1 0.000000e+00 2.737399e-06 ; 3.063890e-01 -2.737399e-06 2.424870e-03 4.099740e-04 0.000485 0.000060 True native_MD 7 171 299 + N_AB42_19 CD2_AB42_34 1 0.000000e+00 2.737374e-06 ; 3.063888e-01 -2.737374e-06 2.424870e-03 4.099740e-04 0.000485 0.000060 True native_MD 7 171 299 N_AB42_19 C_AB42_34 1 7.304032e-04 1.340632e-06 ; 3.499112e-01 9.948461e-02 1.172335e-03 5.874769e-05 0.000485 0.002166 True native_MD 7 171 300 N_AB42_19 O_AB42_34 1 1.481463e-04 4.484008e-08 ; 2.591170e-01 1.223645e-01 2.324953e-03 1.504458e-04 0.000485 0.002166 True native_MD 7 171 301 N_AB42_19 N_AB42_35 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.857805e-04 8.804100e-06 0.000485 0.000060 True native_MD 7 171 302 @@ -37191,7 +37191,7 @@ CG2_AB42_18 O2_AB42_42 1 0.000000e+00 1.216769e-06 ; 2.863710e-01 -1.216769 N_AB42_19 CA_AB42_42 1 3.438291e-03 2.512402e-05 ; 4.405120e-01 1.176349e-01 2.018111e-03 2.099111e-04 0.000485 0.001339 True native_MD 7 171 356 N_AB42_19 CB_AB42_42 1 1.325783e-03 4.441660e-06 ; 3.868229e-01 9.893261e-02 2.925249e-03 1.514847e-04 0.000485 0.000060 True native_MD 7 171 357 H_AB42_19 H_AB42_19 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 172 172 - H_AB42_19 O_AB42_19 1 0.000000e+00 1.414378e-08 ; 1.975644e-01 -1.414378e-08 5.048869e-01 4.164362e-01 0.000485 0.000060 True native_MD 4 172 182 + H_AB42_19 O_AB42_19 1 0.000000e+00 1.414400e-08 ; 1.975647e-01 -1.414400e-08 5.048869e-01 4.164362e-01 0.000485 0.000060 True native_MD 4 172 182 H_AB42_19 H_AB42_20 1 0.000000e+00 1.440704e-08 ; 1.978683e-01 -1.440704e-08 2.084814e-01 4.090683e-01 0.000485 0.000060 True native_MD 5 172 184 H_AB42_19 O_AB42_20 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 172 194 H_AB42_19 H_AB42_21 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 172 196 @@ -37245,35 +37245,35 @@ CG2_AB42_18 O2_AB42_42 1 0.000000e+00 1.216769e-06 ; 2.863710e-01 -1.216769 H_AB42_19 H_AB42_42 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 172 355 H_AB42_19 O1_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 172 359 H_AB42_19 O2_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 172 360 - CA_AB42_19 CE1_AB42_19 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 1.000000e+00 9.999995e-01 0.000485 0.000060 True native_MD 4 173 178 - CA_AB42_19 CE2_AB42_19 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 1.000000e+00 9.999995e-01 0.000485 0.000060 True native_MD 4 173 179 - CA_AB42_19 CZ_AB42_19 1 0.000000e+00 1.304711e-05 ; 3.489698e-01 -1.304711e-05 1.000000e+00 9.996359e-01 0.000485 0.000060 True native_MD 5 173 180 - CA_AB42_19 CB_AB42_20 1 0.000000e+00 3.181354e-05 ; 3.758772e-01 -3.181354e-05 9.999979e-01 9.999944e-01 0.000485 0.000060 True native_MD 4 173 186 - CA_AB42_19 CG_AB42_20 1 0.000000e+00 1.175047e-05 ; 3.459391e-01 -1.175047e-05 8.634507e-01 7.637411e-01 0.000485 0.000060 True native_MD 5 173 187 - CA_AB42_19 CD1_AB42_20 1 0.000000e+00 1.097224e-05 ; 3.439693e-01 -1.097224e-05 6.518840e-01 4.925489e-01 0.000485 0.000060 True native_MD 6 173 188 - CA_AB42_19 CD2_AB42_20 1 0.000000e+00 1.097224e-05 ; 3.439693e-01 -1.097224e-05 6.518840e-01 4.925489e-01 0.000485 0.000060 True native_MD 6 173 189 + CA_AB42_19 CE1_AB42_19 1 0.000000e+00 1.305179e-05 ; 3.489802e-01 -1.305179e-05 1.000000e+00 9.999995e-01 0.000485 0.000060 True native_MD 4 173 178 + CA_AB42_19 CE2_AB42_19 1 0.000000e+00 1.305179e-05 ; 3.489802e-01 -1.305179e-05 1.000000e+00 9.999995e-01 0.000485 0.000060 True native_MD 4 173 179 + CA_AB42_19 CZ_AB42_19 1 0.000000e+00 1.304705e-05 ; 3.489697e-01 -1.304705e-05 1.000000e+00 9.996359e-01 0.000485 0.000060 True native_MD 5 173 180 + CA_AB42_19 CB_AB42_20 1 0.000000e+00 3.181341e-05 ; 3.758771e-01 -3.181341e-05 9.999979e-01 9.999944e-01 0.000485 0.000060 True native_MD 4 173 186 + CA_AB42_19 CG_AB42_20 1 0.000000e+00 1.175041e-05 ; 3.459389e-01 -1.175041e-05 8.634507e-01 7.637411e-01 0.000485 0.000060 True native_MD 5 173 187 + CA_AB42_19 CD1_AB42_20 1 0.000000e+00 1.097219e-05 ; 3.439691e-01 -1.097219e-05 6.518840e-01 4.925489e-01 0.000485 0.000060 True native_MD 6 173 188 + CA_AB42_19 CD2_AB42_20 1 0.000000e+00 1.097219e-05 ; 3.439691e-01 -1.097219e-05 6.518840e-01 4.925489e-01 0.000485 0.000060 True native_MD 6 173 189 CA_AB42_19 CE1_AB42_20 1 4.433634e-03 3.714026e-05 ; 4.506584e-01 1.323167e-01 3.396778e-01 2.096283e-01 0.000485 0.001933 True native_MD 7 173 190 CA_AB42_19 CE2_AB42_20 1 4.433634e-03 3.714026e-05 ; 4.506584e-01 1.323167e-01 3.396778e-01 2.096283e-01 0.000485 0.001933 True native_MD 7 173 191 CA_AB42_19 CZ_AB42_20 1 6.424008e-03 7.340259e-05 ; 4.745889e-01 1.405532e-01 1.282693e-01 6.186695e-02 0.000485 0.001933 True native_MD 7 173 192 - CA_AB42_19 C_AB42_20 1 0.000000e+00 1.305188e-05 ; 3.489804e-01 -1.305188e-05 9.999983e-01 9.999994e-01 0.000485 0.000060 True native_MD 4 173 193 - CA_AB42_19 O_AB42_20 1 0.000000e+00 4.235560e-06 ; 3.177393e-01 -4.235560e-06 4.527133e-01 4.724714e-01 0.000485 0.000060 True native_MD 5 173 194 - CA_AB42_19 N_AB42_21 1 0.000000e+00 7.066665e-06 ; 3.315860e-01 -7.066665e-06 6.623420e-01 5.952357e-01 0.000485 0.000060 True native_MD 5 173 195 - CA_AB42_19 CA_AB42_21 1 0.000000e+00 5.968303e-05 ; 3.961101e-01 -5.968303e-05 6.702829e-01 5.806994e-01 0.000485 0.000060 True native_MD 6 173 197 + CA_AB42_19 C_AB42_20 1 0.000000e+00 1.305181e-05 ; 3.489803e-01 -1.305181e-05 9.999983e-01 9.999994e-01 0.000485 0.000060 True native_MD 4 173 193 + CA_AB42_19 O_AB42_20 1 0.000000e+00 4.235593e-06 ; 3.177395e-01 -4.235593e-06 4.527133e-01 4.724714e-01 0.000485 0.000060 True native_MD 5 173 194 + CA_AB42_19 N_AB42_21 1 0.000000e+00 7.066654e-06 ; 3.315860e-01 -7.066654e-06 6.623420e-01 5.952357e-01 0.000485 0.000060 True native_MD 5 173 195 + CA_AB42_19 CA_AB42_21 1 0.000000e+00 5.968347e-05 ; 3.961103e-01 -5.968347e-05 6.702829e-01 5.806994e-01 0.000485 0.000060 True native_MD 6 173 197 CA_AB42_19 CB_AB42_21 1 6.279382e-03 7.199203e-05 ; 4.748553e-01 1.369271e-01 3.823304e-01 2.055277e-01 0.000485 0.001932 True native_MD 7 173 198 CA_AB42_19 C_AB42_21 1 3.938569e-03 4.423076e-05 ; 4.732213e-01 8.767837e-02 3.936752e-02 6.401018e-02 0.000485 0.001339 True native_MD 7 173 199 CA_AB42_19 O_AB42_21 1 1.520406e-03 6.379670e-06 ; 4.016118e-01 9.058592e-02 3.096375e-02 4.615153e-02 0.000485 0.001339 True native_MD 7 173 200 CA_AB42_19 N_AB42_22 1 1.896533e-03 1.160656e-05 ; 4.276848e-01 7.747422e-02 5.606542e-02 1.237176e-01 0.000485 0.001339 True native_MD 7 173 201 - CA_AB42_19 CA_AB42_22 1 0.000000e+00 7.140219e-05 ; 4.020724e-01 -7.140219e-05 8.617574e-02 1.753586e-01 0.000485 0.000883 True native_MD 7 173 203 + CA_AB42_19 CA_AB42_22 1 0.000000e+00 7.140271e-05 ; 4.020727e-01 -7.140271e-05 8.617574e-02 1.753586e-01 0.000485 0.000883 True native_MD 7 173 203 CA_AB42_19 CB_AB42_22 1 1.391637e-03 6.352424e-06 ; 4.072886e-01 7.621709e-02 8.450246e-02 1.476428e-01 0.000485 0.001021 True native_MD 7 173 204 - CA_AB42_19 CG_AB42_22 1 0.000000e+00 3.410924e-05 ; 3.780660e-01 -3.410924e-05 6.493119e-02 1.370884e-01 0.000485 0.001021 True native_MD 7 173 205 + CA_AB42_19 CG_AB42_22 1 0.000000e+00 3.410909e-05 ; 3.780659e-01 -3.410909e-05 6.493119e-02 1.370884e-01 0.000485 0.001021 True native_MD 7 173 205 CA_AB42_19 CD_AB42_22 1 1.161159e-03 4.673275e-06 ; 3.988304e-01 7.212772e-02 2.836130e-02 7.344188e-02 0.000485 0.001339 True native_MD 7 173 206 - CA_AB42_19 OE1_AB42_22 1 0.000000e+00 3.440324e-06 ; 3.122806e-01 -3.440324e-06 1.105211e-02 3.428526e-02 0.000485 0.001339 True native_MD 7 173 207 - CA_AB42_19 OE2_AB42_22 1 0.000000e+00 3.440324e-06 ; 3.122806e-01 -3.440324e-06 1.105211e-02 3.428526e-02 0.000485 0.001339 True native_MD 7 173 208 + CA_AB42_19 OE1_AB42_22 1 0.000000e+00 3.440352e-06 ; 3.122808e-01 -3.440352e-06 1.105211e-02 3.428526e-02 0.000485 0.001339 True native_MD 7 173 207 + CA_AB42_19 OE2_AB42_22 1 0.000000e+00 3.440352e-06 ; 3.122808e-01 -3.440352e-06 1.105211e-02 3.428526e-02 0.000485 0.001339 True native_MD 7 173 208 CA_AB42_19 C_AB42_22 1 1.880666e-03 9.698495e-06 ; 4.156541e-01 9.117148e-02 1.473420e-02 2.157937e-02 0.000485 0.001339 True native_MD 7 173 209 CA_AB42_19 O_AB42_22 1 5.087768e-04 7.040885e-07 ; 3.338233e-01 9.191096e-02 1.667040e-02 2.388127e-02 0.000485 0.001339 True native_MD 7 173 210 - CA_AB42_19 N_AB42_23 1 0.000000e+00 7.638936e-06 ; 3.337447e-01 -7.638936e-06 3.366992e-03 1.180808e-02 0.000485 0.001339 True native_MD 7 173 211 - CA_AB42_19 CA_AB42_23 1 0.000000e+00 6.664755e-05 ; 3.997701e-01 -6.664755e-05 1.783251e-02 3.448721e-02 0.000485 0.000883 True native_MD 7 173 213 - CA_AB42_19 CB_AB42_23 1 0.000000e+00 3.247450e-05 ; 3.765219e-01 -3.247450e-05 1.853979e-02 3.931216e-02 0.000485 0.001021 True native_MD 7 173 214 + CA_AB42_19 N_AB42_23 1 0.000000e+00 7.638924e-06 ; 3.337447e-01 -7.638924e-06 3.366992e-03 1.180808e-02 0.000485 0.001339 True native_MD 7 173 211 + CA_AB42_19 CA_AB42_23 1 0.000000e+00 6.664804e-05 ; 3.997704e-01 -6.664804e-05 1.783251e-02 3.448721e-02 0.000485 0.000883 True native_MD 7 173 213 + CA_AB42_19 CB_AB42_23 1 0.000000e+00 3.247436e-05 ; 3.765217e-01 -3.247436e-05 1.853979e-02 3.931216e-02 0.000485 0.001021 True native_MD 7 173 214 CA_AB42_19 CG_AB42_23 1 1.209466e-03 4.037884e-06 ; 3.865984e-01 9.056775e-02 1.266394e-02 1.888546e-02 0.000485 0.001339 True native_MD 7 173 215 CA_AB42_19 OD1_AB42_23 1 3.607976e-04 3.521956e-07 ; 3.149585e-01 9.240243e-02 7.995705e-03 1.128711e-02 0.000485 0.001339 True native_MD 7 173 216 CA_AB42_19 OD2_AB42_23 1 3.607976e-04 3.521956e-07 ; 3.149585e-01 9.240243e-02 7.995705e-03 1.128711e-02 0.000485 0.001339 True native_MD 7 173 217 @@ -37401,81 +37401,81 @@ CG2_AB42_18 O2_AB42_42 1 0.000000e+00 1.216769e-06 ; 2.863710e-01 -1.216769 CA_AB42_19 C_AB42_42 1 2.659813e-03 1.806233e-05 ; 4.351648e-01 9.791932e-02 1.118686e-03 3.403313e-04 0.000485 0.001339 True native_MD 7 173 358 CA_AB42_19 O1_AB42_42 1 5.723560e-04 1.025407e-06 ; 3.485018e-01 7.986866e-02 6.517932e-04 2.158007e-04 0.000485 0.001339 True native_MD 7 173 359 CA_AB42_19 O2_AB42_42 1 5.723560e-04 1.025407e-06 ; 3.485018e-01 7.986866e-02 6.517932e-04 2.158007e-04 0.000485 0.001339 True native_MD 7 173 360 - CB_AB42_19 CZ_AB42_19 1 0.000000e+00 6.333916e-06 ; 3.285749e-01 -6.333916e-06 9.999975e-01 9.999904e-01 0.000485 0.000060 True native_MD 4 174 180 - CB_AB42_19 C_AB42_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 174 181 + CB_AB42_19 CZ_AB42_19 1 0.000000e+00 6.333810e-06 ; 3.285744e-01 -6.333810e-06 9.999975e-01 9.999904e-01 0.000485 0.000060 True native_MD 4 174 180 + CB_AB42_19 C_AB42_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 174 181 CB_AB42_19 O_AB42_19 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 174 182 - CB_AB42_19 N_AB42_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 174 183 - CB_AB42_19 CA_AB42_20 1 0.000000e+00 3.181353e-05 ; 3.758772e-01 -3.181353e-05 1.000000e+00 9.999960e-01 0.000485 0.000060 True native_MD 4 174 185 - CB_AB42_19 CB_AB42_20 1 0.000000e+00 1.362385e-05 ; 3.502300e-01 -1.362385e-05 7.254177e-01 6.078545e-01 0.000485 0.000060 True native_MD 5 174 186 - CB_AB42_19 CG_AB42_20 1 0.000000e+00 4.781405e-06 ; 3.209652e-01 -4.781405e-06 4.226779e-01 1.775618e-01 0.000485 0.000060 True native_MD 6 174 187 + CB_AB42_19 N_AB42_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 174 183 + CB_AB42_19 CA_AB42_20 1 0.000000e+00 3.181339e-05 ; 3.758771e-01 -3.181339e-05 1.000000e+00 9.999960e-01 0.000485 0.000060 True native_MD 4 174 185 + CB_AB42_19 CB_AB42_20 1 0.000000e+00 1.362364e-05 ; 3.502295e-01 -1.362364e-05 7.254177e-01 6.078545e-01 0.000485 0.000060 True native_MD 5 174 186 + CB_AB42_19 CG_AB42_20 1 0.000000e+00 4.781325e-06 ; 3.209648e-01 -4.781325e-06 4.226779e-01 1.775618e-01 0.000485 0.000060 True native_MD 6 174 187 CB_AB42_19 CD1_AB42_20 1 1.031559e-03 1.788035e-06 ; 3.465881e-01 1.487826e-01 3.234881e-01 1.471822e-01 0.000485 0.002332 True native_MD 7 174 188 CB_AB42_19 CD2_AB42_20 1 1.031559e-03 1.788035e-06 ; 3.465881e-01 1.487826e-01 3.234881e-01 1.471822e-01 0.000485 0.002332 True native_MD 7 174 189 CB_AB42_19 CE1_AB42_20 1 1.372045e-03 3.068116e-06 ; 3.616185e-01 1.533927e-01 2.324563e-01 9.213456e-02 0.000485 0.002332 True native_MD 7 174 190 CB_AB42_19 CE2_AB42_20 1 1.372045e-03 3.068116e-06 ; 3.616185e-01 1.533927e-01 2.324563e-01 9.213456e-02 0.000485 0.002332 True native_MD 7 174 191 CB_AB42_19 CZ_AB42_20 1 2.377954e-03 8.600215e-06 ; 3.917879e-01 1.643757e-01 1.801594e-01 5.140384e-02 0.000485 0.002332 True native_MD 7 174 192 - CB_AB42_19 C_AB42_20 1 0.000000e+00 6.979987e-06 ; 3.312452e-01 -6.979987e-06 3.607509e-01 4.627449e-01 0.000485 0.000060 True native_MD 5 174 193 - CB_AB42_19 O_AB42_20 1 0.000000e+00 2.065095e-06 ; 2.992770e-01 -2.065095e-06 1.264761e-01 1.510036e-01 0.000485 0.000060 True native_MD 6 174 194 - CB_AB42_19 N_AB42_21 1 0.000000e+00 4.107374e-06 ; 3.169266e-01 -4.107374e-06 9.800176e-02 2.153257e-01 0.000485 0.000060 True native_MD 6 174 195 + CB_AB42_19 C_AB42_20 1 0.000000e+00 6.979870e-06 ; 3.312447e-01 -6.979870e-06 3.607509e-01 4.627449e-01 0.000485 0.000060 True native_MD 5 174 193 + CB_AB42_19 O_AB42_20 1 0.000000e+00 2.065088e-06 ; 2.992769e-01 -2.065088e-06 1.264761e-01 1.510036e-01 0.000485 0.000060 True native_MD 6 174 194 + CB_AB42_19 N_AB42_21 1 0.000000e+00 4.107320e-06 ; 3.169263e-01 -4.107320e-06 9.800176e-02 2.153257e-01 0.000485 0.000060 True native_MD 6 174 195 CB_AB42_19 CA_AB42_21 1 3.195469e-03 3.519643e-05 ; 4.716943e-01 7.252881e-02 1.171893e-01 2.286474e-01 0.000485 0.001021 True native_MD 7 174 197 CB_AB42_19 CB_AB42_21 1 1.890901e-03 1.036350e-05 ; 4.198939e-01 8.625243e-02 3.865350e-02 1.142448e-01 0.000485 0.002332 True native_MD 7 174 198 - CB_AB42_19 C_AB42_21 1 0.000000e+00 6.495761e-06 ; 3.292665e-01 -6.495761e-06 3.311873e-02 5.866359e-02 0.000485 0.000060 True native_MD 7 174 199 + CB_AB42_19 C_AB42_21 1 0.000000e+00 6.495652e-06 ; 3.292660e-01 -6.495652e-06 3.311873e-02 5.866359e-02 0.000485 0.000060 True native_MD 7 174 199 CB_AB42_19 O_AB42_21 1 4.295639e-04 5.115993e-07 ; 3.255745e-01 9.017074e-02 3.201619e-02 4.296523e-02 0.000485 0.001191 True native_MD 7 174 200 - CB_AB42_19 N_AB42_22 1 0.000000e+00 3.834712e-06 ; 3.151177e-01 -3.834712e-06 2.619660e-02 6.934871e-02 0.000485 0.000060 True native_MD 7 174 201 + CB_AB42_19 N_AB42_22 1 0.000000e+00 3.834662e-06 ; 3.151173e-01 -3.834662e-06 2.619660e-02 6.934871e-02 0.000485 0.000060 True native_MD 7 174 201 CB_AB42_19 CA_AB42_22 1 2.442773e-03 1.859817e-05 ; 4.435384e-01 8.021134e-02 7.193343e-02 1.115223e-01 0.000485 0.001021 True native_MD 7 174 203 CB_AB42_19 CB_AB42_22 1 9.771869e-04 2.691766e-06 ; 3.744064e-01 8.868658e-02 7.274134e-02 1.020232e-01 0.000485 0.001190 True native_MD 7 174 204 CB_AB42_19 CG_AB42_22 1 8.042135e-04 1.951537e-06 ; 3.665790e-01 8.285257e-02 6.226544e-02 1.039890e-01 0.000485 0.001190 True native_MD 7 174 205 - CB_AB42_19 CD_AB42_22 1 0.000000e+00 6.564199e-06 ; 3.295542e-01 -6.564199e-06 3.355499e-02 6.990469e-02 0.000485 0.000060 True native_MD 7 174 206 - CB_AB42_19 OE1_AB42_22 1 0.000000e+00 1.662654e-06 ; 2.939196e-01 -1.662654e-06 1.525369e-02 3.425392e-02 0.000485 0.000060 True native_MD 7 174 207 - CB_AB42_19 OE2_AB42_22 1 0.000000e+00 1.662654e-06 ; 2.939196e-01 -1.662654e-06 1.525369e-02 3.425392e-02 0.000485 0.000060 True native_MD 7 174 208 - CB_AB42_19 C_AB42_22 1 0.000000e+00 6.391615e-06 ; 3.288233e-01 -6.391615e-06 1.505027e-02 2.415268e-02 0.000485 0.000060 True native_MD 7 174 209 + CB_AB42_19 CD_AB42_22 1 0.000000e+00 6.564088e-06 ; 3.295537e-01 -6.564088e-06 3.355499e-02 6.990469e-02 0.000485 0.000060 True native_MD 7 174 206 + CB_AB42_19 OE1_AB42_22 1 0.000000e+00 1.662648e-06 ; 2.939195e-01 -1.662648e-06 1.525369e-02 3.425392e-02 0.000485 0.000060 True native_MD 7 174 207 + CB_AB42_19 OE2_AB42_22 1 0.000000e+00 1.662648e-06 ; 2.939195e-01 -1.662648e-06 1.525369e-02 3.425392e-02 0.000485 0.000060 True native_MD 7 174 208 + CB_AB42_19 C_AB42_22 1 0.000000e+00 6.391508e-06 ; 3.288228e-01 -6.391508e-06 1.505027e-02 2.415268e-02 0.000485 0.000060 True native_MD 7 174 209 CB_AB42_19 O_AB42_22 1 3.582293e-04 3.483613e-07 ; 3.147590e-01 9.209424e-02 1.558918e-02 1.975021e-02 0.000485 0.001191 True native_MD 7 174 210 - CB_AB42_19 N_AB42_23 1 0.000000e+00 3.702444e-06 ; 3.141972e-01 -3.702444e-06 4.031534e-03 1.120283e-02 0.000485 0.000060 True native_MD 7 174 211 + CB_AB42_19 N_AB42_23 1 0.000000e+00 3.702395e-06 ; 3.141969e-01 -3.702395e-06 4.031534e-03 1.120283e-02 0.000485 0.000060 True native_MD 7 174 211 CB_AB42_19 CA_AB42_23 1 1.664060e-03 9.278347e-06 ; 4.210984e-01 7.461175e-02 1.656543e-02 3.036755e-02 0.000485 0.001021 True native_MD 7 174 213 CB_AB42_19 CB_AB42_23 1 8.945289e-04 2.712766e-06 ; 3.804547e-01 7.374226e-02 1.255927e-02 2.754916e-02 0.000485 0.001190 True native_MD 7 174 214 - CB_AB42_19 CG_AB42_23 1 0.000000e+00 6.382890e-06 ; 3.287858e-01 -6.382890e-06 9.846503e-03 1.757139e-02 0.000485 0.000060 True native_MD 7 174 215 - CB_AB42_19 OD1_AB42_23 1 0.000000e+00 1.638079e-06 ; 2.935551e-01 -1.638079e-06 6.542957e-03 1.048170e-02 0.000485 0.000060 True native_MD 7 174 216 - CB_AB42_19 OD2_AB42_23 1 0.000000e+00 1.638079e-06 ; 2.935551e-01 -1.638079e-06 6.542957e-03 1.048170e-02 0.000485 0.000060 True native_MD 7 174 217 - CB_AB42_19 C_AB42_23 1 0.000000e+00 6.314719e-06 ; 3.284918e-01 -6.314719e-06 8.540418e-03 5.502510e-03 0.000485 0.000060 True native_MD 7 174 218 + CB_AB42_19 CG_AB42_23 1 0.000000e+00 6.382783e-06 ; 3.287854e-01 -6.382783e-06 9.846503e-03 1.757139e-02 0.000485 0.000060 True native_MD 7 174 215 + CB_AB42_19 OD1_AB42_23 1 0.000000e+00 1.638073e-06 ; 2.935550e-01 -1.638073e-06 6.542957e-03 1.048170e-02 0.000485 0.000060 True native_MD 7 174 216 + CB_AB42_19 OD2_AB42_23 1 0.000000e+00 1.638073e-06 ; 2.935550e-01 -1.638073e-06 6.542957e-03 1.048170e-02 0.000485 0.000060 True native_MD 7 174 217 + CB_AB42_19 C_AB42_23 1 0.000000e+00 6.314613e-06 ; 3.284913e-01 -6.314613e-06 8.540418e-03 5.502510e-03 0.000485 0.000060 True native_MD 7 174 218 CB_AB42_19 O_AB42_23 1 5.884782e-04 8.883861e-07 ; 3.386974e-01 9.745387e-02 5.673841e-03 6.123056e-03 0.000485 0.001191 True native_MD 7 174 219 - CB_AB42_19 N_AB42_24 1 0.000000e+00 3.658007e-06 ; 3.138813e-01 -3.658007e-06 6.958213e-03 2.041276e-03 0.000485 0.000060 True native_MD 7 174 220 + CB_AB42_19 N_AB42_24 1 0.000000e+00 3.657958e-06 ; 3.138809e-01 -3.657958e-06 6.958213e-03 2.041276e-03 0.000485 0.000060 True native_MD 7 174 220 CB_AB42_19 CA_AB42_24 1 1.587671e-03 5.955707e-06 ; 3.941808e-01 1.058102e-01 1.849136e-02 1.332600e-02 0.000485 0.001021 True native_MD 7 174 222 CB_AB42_19 CB_AB42_24 1 2.172941e-03 1.127973e-05 ; 4.161103e-01 1.046495e-01 2.869332e-02 2.140901e-02 0.000485 0.001021 True native_MD 7 174 223 CB_AB42_19 CG1_AB42_24 1 1.171602e-03 2.751690e-06 ; 3.645887e-01 1.247098e-01 1.838838e-02 1.719384e-02 0.000485 0.002332 True native_MD 7 174 224 CB_AB42_19 CG2_AB42_24 1 1.024188e-03 1.963536e-06 ; 3.524600e-01 1.335551e-01 2.669390e-02 1.915500e-02 0.000485 0.002332 True native_MD 7 174 225 - CB_AB42_19 C_AB42_24 1 0.000000e+00 6.315064e-06 ; 3.284933e-01 -6.315064e-06 6.794740e-03 3.811333e-03 0.000485 0.000060 True native_MD 7 174 226 + CB_AB42_19 C_AB42_24 1 0.000000e+00 6.314958e-06 ; 3.284928e-01 -6.314958e-06 6.794740e-03 3.811333e-03 0.000485 0.000060 True native_MD 7 174 226 CB_AB42_19 O_AB42_24 1 3.835163e-04 4.176106e-07 ; 3.207485e-01 8.805137e-02 3.286441e-03 4.699136e-03 0.000485 0.001191 True native_MD 7 174 227 - CB_AB42_19 N_AB42_25 1 0.000000e+00 3.664862e-06 ; 3.139302e-01 -3.664862e-06 5.620476e-03 2.568369e-03 0.000485 0.000060 True native_MD 7 174 228 + CB_AB42_19 N_AB42_25 1 0.000000e+00 3.664814e-06 ; 3.139299e-01 -3.664814e-06 5.620476e-03 2.568369e-03 0.000485 0.000060 True native_MD 7 174 228 CB_AB42_19 CA_AB42_25 1 8.095522e-04 1.706416e-06 ; 3.580745e-01 9.601624e-02 8.289879e-03 9.336941e-03 0.000485 0.001190 True native_MD 7 174 230 - CB_AB42_19 C_AB42_25 1 0.000000e+00 6.333195e-06 ; 3.285718e-01 -6.333195e-06 4.619689e-03 4.498769e-03 0.000485 0.000060 True native_MD 7 174 231 + CB_AB42_19 C_AB42_25 1 0.000000e+00 6.333089e-06 ; 3.285713e-01 -6.333089e-06 4.619689e-03 4.498769e-03 0.000485 0.000060 True native_MD 7 174 231 CB_AB42_19 O_AB42_25 1 4.441217e-04 5.449228e-07 ; 3.271941e-01 9.049173e-02 2.548309e-03 3.387098e-03 0.000485 0.001191 True native_MD 7 174 232 - CB_AB42_19 N_AB42_26 1 0.000000e+00 3.674655e-06 ; 3.140000e-01 -3.674655e-06 2.408921e-03 2.020859e-03 0.000485 0.000060 True native_MD 7 174 233 + CB_AB42_19 N_AB42_26 1 0.000000e+00 3.674607e-06 ; 3.139997e-01 -3.674607e-06 2.408921e-03 2.020859e-03 0.000485 0.000060 True native_MD 7 174 233 CB_AB42_19 CA_AB42_26 1 1.577747e-03 6.645163e-06 ; 4.018630e-01 9.365027e-02 1.037628e-02 1.075998e-02 0.000485 0.001021 True native_MD 7 174 235 CB_AB42_19 CB_AB42_26 1 1.098387e-03 3.144281e-06 ; 3.768145e-01 9.592455e-02 1.206584e-02 1.362717e-02 0.000485 0.001190 True native_MD 7 174 236 - CB_AB42_19 OG_AB42_26 1 0.000000e+00 2.775401e-06 ; 3.067412e-01 -2.775401e-06 1.136519e-02 8.453494e-03 0.000485 0.000060 True native_MD 7 174 237 - CB_AB42_19 C_AB42_26 1 0.000000e+00 6.336714e-06 ; 3.285870e-01 -6.336714e-06 1.536631e-03 1.971342e-03 0.000485 0.000060 True native_MD 7 174 238 + CB_AB42_19 OG_AB42_26 1 0.000000e+00 2.775359e-06 ; 3.067408e-01 -2.775359e-06 1.136519e-02 8.453494e-03 0.000485 0.000060 True native_MD 7 174 237 + CB_AB42_19 C_AB42_26 1 0.000000e+00 6.336608e-06 ; 3.285865e-01 -6.336608e-06 1.536631e-03 1.971342e-03 0.000485 0.000060 True native_MD 7 174 238 CB_AB42_19 O_AB42_26 1 6.662145e-04 1.359727e-06 ; 3.561555e-01 8.160492e-02 1.033666e-03 1.792482e-03 0.000485 0.001191 True native_MD 7 174 239 - CB_AB42_19 N_AB42_27 1 0.000000e+00 3.674365e-06 ; 3.139980e-01 -3.674365e-06 1.139395e-03 6.723261e-04 0.000485 0.000060 True native_MD 7 174 240 + CB_AB42_19 N_AB42_27 1 0.000000e+00 3.674316e-06 ; 3.139976e-01 -3.674316e-06 1.139395e-03 6.723261e-04 0.000485 0.000060 True native_MD 7 174 240 CB_AB42_19 CA_AB42_27 1 3.687967e-03 2.728040e-05 ; 4.414118e-01 1.246417e-01 9.690594e-03 3.974978e-03 0.000485 0.001021 True native_MD 7 174 242 CB_AB42_19 CB_AB42_27 1 2.108368e-03 8.166134e-06 ; 3.962887e-01 1.360870e-01 1.158550e-02 3.933557e-03 0.000485 0.001190 True native_MD 7 174 243 - CB_AB42_19 CG_AB42_27 1 0.000000e+00 6.279311e-06 ; 3.283379e-01 -6.279311e-06 1.271555e-02 4.087529e-03 0.000485 0.000060 True native_MD 7 174 244 + CB_AB42_19 CG_AB42_27 1 0.000000e+00 6.279206e-06 ; 3.283374e-01 -6.279206e-06 1.271555e-02 4.087529e-03 0.000485 0.000060 True native_MD 7 174 244 CB_AB42_19 OD1_AB42_27 1 6.678966e-04 7.585053e-07 ; 3.230042e-01 1.470280e-01 1.303101e-02 3.189857e-03 0.000485 0.001191 True native_MD 7 174 245 - CB_AB42_19 ND2_AB42_27 1 0.000000e+00 6.284546e-06 ; 3.283607e-01 -6.284546e-06 1.315179e-02 5.811706e-03 0.000485 0.000060 True native_MD 7 174 246 - CB_AB42_19 C_AB42_27 1 0.000000e+00 6.326618e-06 ; 3.285433e-01 -6.326618e-06 2.154168e-03 9.949255e-04 0.000485 0.000060 True native_MD 7 174 247 + CB_AB42_19 ND2_AB42_27 1 0.000000e+00 6.284510e-06 ; 3.283605e-01 -6.284510e-06 1.315179e-02 5.811706e-03 0.000485 0.000060 True native_MD 7 174 246 + CB_AB42_19 C_AB42_27 1 0.000000e+00 6.326512e-06 ; 3.285429e-01 -6.326512e-06 2.154168e-03 9.949255e-04 0.000485 0.000060 True native_MD 7 174 247 CB_AB42_19 O_AB42_27 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 174 248 - CB_AB42_19 N_AB42_28 1 0.000000e+00 3.672694e-06 ; 3.139861e-01 -3.672694e-06 1.200644e-03 2.790004e-04 0.000485 0.000060 True native_MD 7 174 249 + CB_AB42_19 N_AB42_28 1 0.000000e+00 3.672645e-06 ; 3.139857e-01 -3.672645e-06 1.200644e-03 2.790004e-04 0.000485 0.000060 True native_MD 7 174 249 CB_AB42_19 CA_AB42_28 1 4.296931e-03 3.144891e-05 ; 4.406305e-01 1.467747e-01 1.199859e-02 2.537815e-03 0.000485 0.001021 True native_MD 7 174 251 CB_AB42_19 CB_AB42_28 1 1.576210e-03 4.096641e-06 ; 3.707965e-01 1.516144e-01 8.682371e-03 1.852271e-03 0.000485 0.001190 True native_MD 7 174 252 CB_AB42_19 CG_AB42_28 1 2.005332e-03 6.502606e-06 ; 3.847248e-01 1.546056e-01 8.667169e-03 1.690705e-03 0.000485 0.001190 True native_MD 7 174 253 CB_AB42_19 CD_AB42_28 1 1.640354e-03 5.147132e-06 ; 3.826232e-01 1.306923e-01 8.558505e-03 3.414926e-03 0.000485 0.001190 True native_MD 7 174 254 CB_AB42_19 CE_AB42_28 1 1.630380e-03 5.925608e-06 ; 3.921095e-01 1.121463e-01 6.863046e-03 4.770199e-03 0.000485 0.001190 True native_MD 7 174 255 - CB_AB42_19 NZ_AB42_28 1 0.000000e+00 3.682593e-06 ; 3.140565e-01 -3.682593e-06 1.793390e-03 3.564697e-03 0.000485 0.000060 True native_MD 7 174 256 - CB_AB42_19 C_AB42_28 1 0.000000e+00 6.289342e-06 ; 3.283816e-01 -6.289342e-06 8.655449e-03 1.611115e-03 0.000485 0.000060 True native_MD 7 174 257 + CB_AB42_19 NZ_AB42_28 1 0.000000e+00 3.682545e-06 ; 3.140562e-01 -3.682545e-06 1.793390e-03 3.564697e-03 0.000485 0.000060 True native_MD 7 174 256 + CB_AB42_19 C_AB42_28 1 0.000000e+00 6.289237e-06 ; 3.283811e-01 -6.289237e-06 8.655449e-03 1.611115e-03 0.000485 0.000060 True native_MD 7 174 257 CB_AB42_19 O_AB42_28 1 5.893099e-04 5.877510e-07 ; 3.160882e-01 1.477182e-01 6.944658e-03 1.665225e-03 0.000485 0.001191 True native_MD 7 174 258 - CB_AB42_19 N_AB42_29 1 0.000000e+00 3.648163e-06 ; 3.138108e-01 -3.648163e-06 8.771485e-03 1.176799e-03 0.000485 0.000060 True native_MD 7 174 259 + CB_AB42_19 N_AB42_29 1 0.000000e+00 3.648115e-06 ; 3.138104e-01 -3.648115e-06 8.771485e-03 1.176799e-03 0.000485 0.000060 True native_MD 7 174 259 CB_AB42_19 CA_AB42_29 1 1.524076e-03 4.119967e-06 ; 3.732340e-01 1.409481e-01 1.673788e-02 4.913513e-03 0.000485 0.001190 True native_MD 7 174 261 - CB_AB42_19 C_AB42_29 1 0.000000e+00 6.289770e-06 ; 3.283834e-01 -6.289770e-06 9.387191e-03 2.410284e-03 0.000485 0.000060 True native_MD 7 174 262 + CB_AB42_19 C_AB42_29 1 0.000000e+00 6.289664e-06 ; 3.283830e-01 -6.289664e-06 9.387191e-03 2.410284e-03 0.000485 0.000060 True native_MD 7 174 262 CB_AB42_19 O_AB42_29 1 5.577259e-04 5.631434e-07 ; 3.167377e-01 1.380901e-01 6.453604e-03 2.064228e-03 0.000485 0.001191 True native_MD 7 174 263 - CB_AB42_19 N_AB42_30 1 0.000000e+00 3.658438e-06 ; 3.138843e-01 -3.658438e-06 5.748514e-03 9.490177e-04 0.000485 0.000060 True native_MD 7 174 264 + CB_AB42_19 N_AB42_30 1 0.000000e+00 3.658390e-06 ; 3.138840e-01 -3.658390e-06 5.748514e-03 9.490177e-04 0.000485 0.000060 True native_MD 7 174 264 CB_AB42_19 CA_AB42_30 1 2.207449e-03 8.076922e-06 ; 3.925478e-01 1.508257e-01 2.350723e-02 4.404340e-03 0.000485 0.001021 True native_MD 7 174 266 CB_AB42_19 CB_AB42_30 1 1.689761e-03 3.909397e-06 ; 3.636755e-01 1.825915e-01 2.270513e-02 3.755646e-03 0.000485 0.002332 True native_MD 7 174 267 CB_AB42_19 C_AB42_30 1 1.127780e-03 4.349474e-06 ; 3.960063e-01 7.310584e-02 8.486619e-03 9.519245e-04 0.000485 0.000060 True native_MD 7 174 268 @@ -37486,19 +37486,19 @@ CG2_AB42_18 O2_AB42_42 1 0.000000e+00 1.216769e-06 ; 2.863710e-01 -1.216769 CB_AB42_19 CG1_AB42_31 1 2.186316e-03 7.275678e-06 ; 3.863908e-01 1.642450e-01 2.129915e-02 3.113664e-03 0.000485 0.001190 True native_MD 7 174 274 CB_AB42_19 CG2_AB42_31 1 1.612934e-03 3.829010e-06 ; 3.652400e-01 1.698584e-01 1.515123e-02 3.668572e-03 0.000485 0.002332 True native_MD 7 174 275 CB_AB42_19 CD_AB42_31 1 1.795294e-03 4.480195e-06 ; 3.682931e-01 1.798516e-01 2.636375e-02 4.733452e-03 0.000485 0.002332 True native_MD 7 174 276 - CB_AB42_19 C_AB42_31 1 0.000000e+00 6.316956e-06 ; 3.285015e-01 -6.316956e-06 3.215935e-03 5.312661e-04 0.000485 0.000060 True native_MD 7 174 277 + CB_AB42_19 C_AB42_31 1 0.000000e+00 6.316850e-06 ; 3.285010e-01 -6.316850e-06 3.215935e-03 5.312661e-04 0.000485 0.000060 True native_MD 7 174 277 CB_AB42_19 O_AB42_31 1 6.595427e-04 8.541476e-07 ; 3.301528e-01 1.273189e-01 2.696529e-03 7.190210e-04 0.000485 0.001191 True native_MD 7 174 278 - CB_AB42_19 N_AB42_32 1 0.000000e+00 3.669571e-06 ; 3.139638e-01 -3.669571e-06 2.069899e-03 2.987775e-04 0.000485 0.000060 True native_MD 7 174 279 + CB_AB42_19 N_AB42_32 1 0.000000e+00 3.669523e-06 ; 3.139635e-01 -3.669523e-06 2.069899e-03 2.987775e-04 0.000485 0.000060 True native_MD 7 174 279 CB_AB42_19 CA_AB42_32 1 4.005361e-03 2.417514e-05 ; 4.266986e-01 1.659030e-01 1.738701e-02 2.074675e-03 0.000485 0.001021 True native_MD 7 174 281 CB_AB42_19 CB_AB42_32 1 3.020414e-03 1.375984e-05 ; 4.071532e-01 1.657522e-01 2.531306e-02 3.034094e-03 0.000485 0.001021 True native_MD 7 174 282 CB_AB42_19 CG1_AB42_32 1 1.727207e-03 4.361266e-06 ; 3.690156e-01 1.710078e-01 2.386107e-02 2.849088e-03 0.000485 0.001190 True native_MD 7 174 283 CB_AB42_19 CG2_AB42_32 1 1.548847e-03 3.193653e-06 ; 3.567631e-01 1.877885e-01 1.838041e-02 2.602387e-03 0.000485 0.002332 True native_MD 7 174 284 CB_AB42_19 CD_AB42_32 1 1.451169e-03 2.774794e-06 ; 3.523050e-01 1.897339e-01 2.999833e-02 4.007099e-03 0.000485 0.002332 True native_MD 7 174 285 - CB_AB42_19 C_AB42_32 1 0.000000e+00 6.301545e-06 ; 3.284346e-01 -6.301545e-06 5.873533e-03 7.556644e-04 0.000485 0.000060 True native_MD 7 174 286 + CB_AB42_19 C_AB42_32 1 0.000000e+00 6.301439e-06 ; 3.284342e-01 -6.301439e-06 5.873533e-03 7.556644e-04 0.000485 0.000060 True native_MD 7 174 286 CB_AB42_19 O_AB42_32 1 7.819827e-04 9.577288e-07 ; 3.270952e-01 1.596216e-01 7.089778e-03 8.464929e-04 0.000485 0.001191 True native_MD 7 174 287 - CB_AB42_19 N_AB42_33 1 0.000000e+00 3.669406e-06 ; 3.139626e-01 -3.669406e-06 2.555735e-03 7.397725e-04 0.000485 0.000060 True native_MD 7 174 288 + CB_AB42_19 N_AB42_33 1 0.000000e+00 3.669358e-06 ; 3.139623e-01 -3.669358e-06 2.555735e-03 7.397725e-04 0.000485 0.000060 True native_MD 7 174 288 CB_AB42_19 CA_AB42_33 1 1.737822e-03 4.785582e-06 ; 3.743877e-01 1.577668e-01 1.270650e-02 2.254916e-03 0.000485 0.001190 True native_MD 7 174 290 - CB_AB42_19 C_AB42_33 1 0.000000e+00 6.288016e-06 ; 3.283758e-01 -6.288016e-06 8.378998e-03 1.125284e-03 0.000485 0.000060 True native_MD 7 174 291 + CB_AB42_19 C_AB42_33 1 0.000000e+00 6.287911e-06 ; 3.283753e-01 -6.287911e-06 8.378998e-03 1.125284e-03 0.000485 0.000060 True native_MD 7 174 291 CB_AB42_19 O_AB42_33 1 6.950447e-04 7.690613e-07 ; 3.216064e-01 1.570379e-01 6.562248e-03 1.117828e-03 0.000485 0.001191 True native_MD 7 174 292 CB_AB42_19 N_AB42_34 1 9.112596e-04 2.670750e-06 ; 3.782961e-01 7.773043e-02 3.076381e-03 3.004718e-04 0.000485 0.000060 True native_MD 7 174 293 CB_AB42_19 CA_AB42_34 1 3.814326e-03 2.237881e-05 ; 4.246879e-01 1.625320e-01 1.404021e-02 1.853151e-03 0.000485 0.001021 True native_MD 7 174 295 @@ -37556,20 +37556,20 @@ CG2_AB42_18 O2_AB42_42 1 0.000000e+00 1.216769e-06 ; 2.863710e-01 -1.216769 CB_AB42_19 N_AB42_42 1 1.340466e-03 5.244217e-06 ; 3.969515e-01 8.565864e-02 2.087333e-03 1.608107e-04 0.000485 0.000060 True native_MD 7 174 354 CB_AB42_19 CA_AB42_42 1 3.081189e-03 1.661170e-05 ; 4.187447e-01 1.428771e-01 6.117320e-03 1.453940e-03 0.000485 0.001021 True native_MD 7 174 356 CB_AB42_19 CB_AB42_42 1 1.537909e-03 3.810394e-06 ; 3.678521e-01 1.551784e-01 6.207057e-03 1.062941e-03 0.000485 0.002332 True native_MD 7 174 357 - CB_AB42_19 C_AB42_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 174 358 - CB_AB42_19 O1_AB42_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 174 359 - CB_AB42_19 O2_AB42_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 174 360 - CG_AB42_19 O_AB42_19 1 0.000000e+00 7.306425e-07 ; 2.744545e-01 -7.306425e-07 7.168287e-01 6.003752e-01 0.000485 0.000060 True native_MD 4 175 182 - CG_AB42_19 N_AB42_20 1 0.000000e+00 1.419710e-06 ; 2.900759e-01 -1.419710e-06 7.805794e-01 7.219385e-01 0.000485 0.000060 True native_MD 4 175 183 - CG_AB42_19 CA_AB42_20 1 0.000000e+00 1.340037e-05 ; 3.497476e-01 -1.340037e-05 3.123179e-01 3.390198e-01 0.000485 0.000060 True native_MD 5 175 185 - CG_AB42_19 CB_AB42_20 1 0.000000e+00 5.943111e-06 ; 3.268357e-01 -5.943111e-06 1.081237e-01 4.641670e-02 0.000485 0.000060 True native_MD 6 175 186 + CB_AB42_19 C_AB42_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 174 358 + CB_AB42_19 O1_AB42_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 174 359 + CB_AB42_19 O2_AB42_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 174 360 + CG_AB42_19 O_AB42_19 1 0.000000e+00 7.306391e-07 ; 2.744544e-01 -7.306391e-07 7.168287e-01 6.003752e-01 0.000485 0.000060 True native_MD 4 175 182 + CG_AB42_19 N_AB42_20 1 0.000000e+00 1.419690e-06 ; 2.900755e-01 -1.419690e-06 7.805794e-01 7.219385e-01 0.000485 0.000060 True native_MD 4 175 183 + CG_AB42_19 CA_AB42_20 1 0.000000e+00 1.340031e-05 ; 3.497475e-01 -1.340031e-05 3.123179e-01 3.390198e-01 0.000485 0.000060 True native_MD 5 175 185 + CG_AB42_19 CB_AB42_20 1 0.000000e+00 5.943012e-06 ; 3.268352e-01 -5.943012e-06 1.081237e-01 4.641670e-02 0.000485 0.000060 True native_MD 6 175 186 CG_AB42_19 CG_AB42_20 1 4.221577e-03 2.294561e-05 ; 4.193122e-01 1.941735e-01 6.684061e-02 1.781979e-02 0.000485 0.005316 True native_MD 7 175 187 CG_AB42_19 CD1_AB42_20 1 2.469060e-03 8.056395e-06 ; 3.851248e-01 1.891745e-01 9.752118e-02 3.019473e-02 0.000485 0.005316 True native_MD 7 175 188 CG_AB42_19 CD2_AB42_20 1 2.469060e-03 8.056395e-06 ; 3.851248e-01 1.891745e-01 9.752118e-02 3.019473e-02 0.000485 0.005316 True native_MD 7 175 189 CG_AB42_19 CE1_AB42_20 1 3.125183e-03 1.276677e-05 ; 3.998229e-01 1.912536e-01 7.171246e-02 2.086439e-02 0.000485 0.005316 True native_MD 7 175 190 CG_AB42_19 CE2_AB42_20 1 3.125183e-03 1.276677e-05 ; 3.998229e-01 1.912536e-01 7.171246e-02 2.086439e-02 0.000485 0.005316 True native_MD 7 175 191 CG_AB42_19 CZ_AB42_20 1 3.880922e-03 1.990534e-05 ; 4.152782e-01 1.891647e-01 3.125429e-02 9.679852e-03 0.000485 0.005316 True native_MD 7 175 192 - CG_AB42_19 C_AB42_20 1 0.000000e+00 2.569341e-06 ; 3.047756e-01 -2.569341e-06 9.822371e-02 8.697550e-02 0.000485 0.000060 True native_MD 6 175 193 + CG_AB42_19 C_AB42_20 1 0.000000e+00 2.569295e-06 ; 3.047751e-01 -2.569295e-06 9.822371e-02 8.697550e-02 0.000485 0.000060 True native_MD 6 175 193 CG_AB42_19 O_AB42_20 1 1.152376e-03 2.656256e-06 ; 3.634510e-01 1.249853e-01 5.284115e-02 6.954273e-02 0.000485 0.003309 True native_MD 7 175 194 CG_AB42_19 N_AB42_21 1 1.543797e-03 4.416318e-06 ; 3.767718e-01 1.349150e-01 4.183874e-02 4.090714e-02 0.000485 0.003309 True native_MD 7 175 195 CG_AB42_19 CA_AB42_21 1 4.090099e-03 3.533613e-05 ; 4.529819e-01 1.183556e-01 6.295069e-02 5.899723e-02 0.000485 0.001933 True native_MD 7 175 197 @@ -37707,10 +37707,10 @@ CG2_AB42_18 O2_AB42_42 1 0.000000e+00 1.216769e-06 ; 2.863710e-01 -1.216769 CG_AB42_19 O_AB42_41 1 8.285230e-04 1.633036e-06 ; 3.540913e-01 1.050881e-01 1.386366e-03 5.880210e-04 0.000485 0.003309 True native_MD 7 175 353 CG_AB42_19 CA_AB42_42 1 3.253677e-03 1.825823e-05 ; 4.215483e-01 1.449540e-01 4.570905e-03 1.012924e-03 0.000485 0.001933 True native_MD 7 175 356 CG_AB42_19 CB_AB42_42 1 1.380913e-03 3.111484e-06 ; 3.620764e-01 1.532164e-01 5.853097e-03 7.670772e-04 0.000485 0.005315 True native_MD 7 175 357 -CD1_AB42_19 C_AB42_19 1 0.000000e+00 2.371204e-06 ; 3.027441e-01 -2.371204e-06 9.545031e-01 8.670064e-01 0.000485 0.000060 True native_MD 4 176 181 -CD1_AB42_19 O_AB42_19 1 0.000000e+00 8.829758e-07 ; 2.788201e-01 -8.829758e-07 1.448750e-01 2.126341e-01 0.000485 0.000060 True native_MD 5 176 182 -CD1_AB42_19 N_AB42_20 1 0.000000e+00 1.495744e-06 ; 2.913398e-01 -1.495744e-06 2.725293e-01 2.643040e-01 0.000485 0.000060 True native_MD 5 176 183 -CD1_AB42_19 CA_AB42_20 1 0.000000e+00 1.287665e-05 ; 3.485876e-01 -1.287665e-05 2.230959e-01 2.096717e-01 0.000485 0.000060 True native_MD 6 176 185 +CD1_AB42_19 C_AB42_19 1 0.000000e+00 2.371162e-06 ; 3.027437e-01 -2.371162e-06 9.545031e-01 8.670064e-01 0.000485 0.000060 True native_MD 4 176 181 +CD1_AB42_19 O_AB42_19 1 0.000000e+00 8.829717e-07 ; 2.788200e-01 -8.829717e-07 1.448750e-01 2.126341e-01 0.000485 0.000060 True native_MD 5 176 182 +CD1_AB42_19 N_AB42_20 1 0.000000e+00 1.495723e-06 ; 2.913394e-01 -1.495723e-06 2.725293e-01 2.643040e-01 0.000485 0.000060 True native_MD 5 176 183 +CD1_AB42_19 CA_AB42_20 1 0.000000e+00 1.287659e-05 ; 3.485874e-01 -1.287659e-05 2.230959e-01 2.096717e-01 0.000485 0.000060 True native_MD 6 176 185 CD1_AB42_19 CB_AB42_20 1 1.838978e-03 5.756767e-06 ; 3.824726e-01 1.468637e-01 9.676657e-02 4.662962e-02 0.000485 0.002332 True native_MD 7 176 186 CD1_AB42_19 CG_AB42_20 1 1.913493e-03 4.886427e-06 ; 3.697096e-01 1.873280e-01 7.653823e-02 2.504434e-02 0.000485 0.005316 True native_MD 7 176 187 CD1_AB42_19 CD1_AB42_20 1 1.187318e-03 1.949789e-06 ; 3.434815e-01 1.807535e-01 7.291370e-02 2.904603e-02 0.000485 0.005316 True native_MD 7 176 188 @@ -37860,10 +37860,10 @@ CD1_AB42_19 N_AB42_42 1 6.464557e-04 1.179858e-06 ; 3.495815e-01 8.854986 CD1_AB42_19 CA_AB42_42 1 2.133139e-03 7.671541e-06 ; 3.914208e-01 1.482845e-01 5.049957e-03 1.499787e-03 0.000485 0.001933 True native_MD 7 176 356 CD1_AB42_19 CB_AB42_42 1 8.914660e-04 1.325126e-06 ; 3.378252e-01 1.499313e-01 5.305062e-03 9.951310e-04 0.000485 0.005315 True native_MD 7 176 357 CD1_AB42_19 C_AB42_42 1 1.626512e-03 8.108423e-06 ; 4.133138e-01 8.156769e-02 6.857906e-04 5.897990e-04 0.000485 0.003309 True native_MD 7 176 358 -CD2_AB42_19 C_AB42_19 1 0.000000e+00 2.371204e-06 ; 3.027441e-01 -2.371204e-06 9.545031e-01 8.670064e-01 0.000485 0.000060 True native_MD 4 177 181 -CD2_AB42_19 O_AB42_19 1 0.000000e+00 8.829758e-07 ; 2.788201e-01 -8.829758e-07 1.448750e-01 2.126341e-01 0.000485 0.000060 True native_MD 5 177 182 -CD2_AB42_19 N_AB42_20 1 0.000000e+00 1.495744e-06 ; 2.913398e-01 -1.495744e-06 2.725293e-01 2.643040e-01 0.000485 0.000060 True native_MD 5 177 183 -CD2_AB42_19 CA_AB42_20 1 0.000000e+00 1.287665e-05 ; 3.485876e-01 -1.287665e-05 2.230959e-01 2.096717e-01 0.000485 0.000060 True native_MD 6 177 185 +CD2_AB42_19 C_AB42_19 1 0.000000e+00 2.371162e-06 ; 3.027437e-01 -2.371162e-06 9.545031e-01 8.670064e-01 0.000485 0.000060 True native_MD 4 177 181 +CD2_AB42_19 O_AB42_19 1 0.000000e+00 8.829717e-07 ; 2.788200e-01 -8.829717e-07 1.448750e-01 2.126341e-01 0.000485 0.000060 True native_MD 5 177 182 +CD2_AB42_19 N_AB42_20 1 0.000000e+00 1.495723e-06 ; 2.913394e-01 -1.495723e-06 2.725293e-01 2.643040e-01 0.000485 0.000060 True native_MD 5 177 183 +CD2_AB42_19 CA_AB42_20 1 0.000000e+00 1.287659e-05 ; 3.485874e-01 -1.287659e-05 2.230959e-01 2.096717e-01 0.000485 0.000060 True native_MD 6 177 185 CD2_AB42_19 CB_AB42_20 1 1.838978e-03 5.756767e-06 ; 3.824726e-01 1.468637e-01 9.676657e-02 4.662962e-02 0.000485 0.002332 True native_MD 7 177 186 CD2_AB42_19 CG_AB42_20 1 1.913493e-03 4.886427e-06 ; 3.697096e-01 1.873280e-01 7.653823e-02 2.504434e-02 0.000485 0.005316 True native_MD 7 177 187 CD2_AB42_19 CD1_AB42_20 1 1.187318e-03 1.949789e-06 ; 3.434815e-01 1.807535e-01 7.291370e-02 2.904603e-02 0.000485 0.005316 True native_MD 7 177 188 @@ -38013,9 +38013,9 @@ CD2_AB42_19 N_AB42_42 1 6.464557e-04 1.179858e-06 ; 3.495815e-01 8.854986 CD2_AB42_19 CA_AB42_42 1 2.133139e-03 7.671541e-06 ; 3.914208e-01 1.482845e-01 5.049957e-03 1.499787e-03 0.000485 0.001933 True native_MD 7 177 356 CD2_AB42_19 CB_AB42_42 1 8.914660e-04 1.325126e-06 ; 3.378252e-01 1.499313e-01 5.305062e-03 9.951310e-04 0.000485 0.005315 True native_MD 7 177 357 CD2_AB42_19 C_AB42_42 1 1.626512e-03 8.108423e-06 ; 4.133138e-01 8.156769e-02 6.857906e-04 5.897990e-04 0.000485 0.003309 True native_MD 7 177 358 -CE1_AB42_19 C_AB42_19 1 0.000000e+00 2.613576e-06 ; 3.052094e-01 -2.613576e-06 1.633368e-01 1.691115e-01 0.000485 0.000060 True native_MD 5 178 181 -CE1_AB42_19 O_AB42_19 1 0.000000e+00 8.585092e-07 ; 2.781679e-01 -8.585092e-07 2.476088e-02 6.293328e-02 0.000485 0.000060 True native_MD 6 178 182 -CE1_AB42_19 N_AB42_20 1 0.000000e+00 1.441625e-06 ; 2.904464e-01 -1.441625e-06 1.142401e-01 7.013075e-02 0.000485 0.000060 True native_MD 6 178 183 +CE1_AB42_19 C_AB42_19 1 0.000000e+00 2.613530e-06 ; 3.052090e-01 -2.613530e-06 1.633368e-01 1.691115e-01 0.000485 0.000060 True native_MD 5 178 181 +CE1_AB42_19 O_AB42_19 1 0.000000e+00 8.585053e-07 ; 2.781678e-01 -8.585053e-07 2.476088e-02 6.293328e-02 0.000485 0.000060 True native_MD 6 178 182 +CE1_AB42_19 N_AB42_20 1 0.000000e+00 1.441605e-06 ; 2.904461e-01 -1.441605e-06 1.142401e-01 7.013075e-02 0.000485 0.000060 True native_MD 6 178 183 CE1_AB42_19 CA_AB42_20 1 3.599773e-03 2.523046e-05 ; 4.374633e-01 1.284000e-01 1.306353e-01 9.064575e-02 0.000485 0.001933 True native_MD 7 178 185 CE1_AB42_19 CB_AB42_20 1 2.296074e-03 8.221269e-06 ; 3.911339e-01 1.603145e-01 5.884010e-02 1.895806e-02 0.000485 0.002332 True native_MD 7 178 186 CE1_AB42_19 CG_AB42_20 1 2.635569e-03 8.582531e-06 ; 3.849965e-01 2.023362e-01 5.833176e-02 1.218090e-02 0.000485 0.005316 True native_MD 7 178 187 @@ -38170,9 +38170,9 @@ CE1_AB42_19 CB_AB42_42 1 8.740353e-04 1.204556e-06 ; 3.335926e-01 1.585516 CE1_AB42_19 C_AB42_42 1 8.782087e-04 2.136821e-06 ; 3.667429e-01 9.023341e-02 8.888265e-04 1.199624e-03 0.000485 0.003309 True native_MD 7 178 358 CE1_AB42_19 O1_AB42_42 1 3.471331e-04 3.690738e-07 ; 3.194745e-01 8.162418e-02 6.869510e-04 8.342060e-04 0.000485 0.003309 True native_MD 7 178 359 CE1_AB42_19 O2_AB42_42 1 3.471331e-04 3.690738e-07 ; 3.194745e-01 8.162418e-02 6.869510e-04 8.342060e-04 0.000485 0.003309 True native_MD 7 178 360 -CE2_AB42_19 C_AB42_19 1 0.000000e+00 2.613576e-06 ; 3.052094e-01 -2.613576e-06 1.633368e-01 1.691115e-01 0.000485 0.000060 True native_MD 5 179 181 -CE2_AB42_19 O_AB42_19 1 0.000000e+00 8.585092e-07 ; 2.781679e-01 -8.585092e-07 2.476088e-02 6.293328e-02 0.000485 0.000060 True native_MD 6 179 182 -CE2_AB42_19 N_AB42_20 1 0.000000e+00 1.441625e-06 ; 2.904464e-01 -1.441625e-06 1.142401e-01 7.013075e-02 0.000485 0.000060 True native_MD 6 179 183 +CE2_AB42_19 C_AB42_19 1 0.000000e+00 2.613530e-06 ; 3.052090e-01 -2.613530e-06 1.633368e-01 1.691115e-01 0.000485 0.000060 True native_MD 5 179 181 +CE2_AB42_19 O_AB42_19 1 0.000000e+00 8.585053e-07 ; 2.781678e-01 -8.585053e-07 2.476088e-02 6.293328e-02 0.000485 0.000060 True native_MD 6 179 182 +CE2_AB42_19 N_AB42_20 1 0.000000e+00 1.441605e-06 ; 2.904461e-01 -1.441605e-06 1.142401e-01 7.013075e-02 0.000485 0.000060 True native_MD 6 179 183 CE2_AB42_19 CA_AB42_20 1 3.599773e-03 2.523046e-05 ; 4.374633e-01 1.284000e-01 1.306353e-01 9.064575e-02 0.000485 0.001933 True native_MD 7 179 185 CE2_AB42_19 CB_AB42_20 1 2.296074e-03 8.221269e-06 ; 3.911339e-01 1.603145e-01 5.884010e-02 1.895806e-02 0.000485 0.002332 True native_MD 7 179 186 CE2_AB42_19 CG_AB42_20 1 2.635569e-03 8.582531e-06 ; 3.849965e-01 2.023362e-01 5.833176e-02 1.218090e-02 0.000485 0.005316 True native_MD 7 179 187 @@ -38327,8 +38327,8 @@ CE2_AB42_19 CB_AB42_42 1 8.740353e-04 1.204556e-06 ; 3.335926e-01 1.585516 CE2_AB42_19 C_AB42_42 1 8.782087e-04 2.136821e-06 ; 3.667429e-01 9.023341e-02 8.888265e-04 1.199624e-03 0.000485 0.003309 True native_MD 7 179 358 CE2_AB42_19 O1_AB42_42 1 3.471331e-04 3.690738e-07 ; 3.194745e-01 8.162418e-02 6.869510e-04 8.342060e-04 0.000485 0.003309 True native_MD 7 179 359 CE2_AB42_19 O2_AB42_42 1 3.471331e-04 3.690738e-07 ; 3.194745e-01 8.162418e-02 6.869510e-04 8.342060e-04 0.000485 0.003309 True native_MD 7 179 360 - CZ_AB42_19 C_AB42_19 1 0.000000e+00 2.622576e-06 ; 3.052969e-01 -2.622576e-06 1.156408e-02 2.080229e-02 0.000485 0.000060 True native_MD 6 180 181 - CZ_AB42_19 O_AB42_19 1 0.000000e+00 8.378101e-07 ; 2.776028e-01 -8.378101e-07 1.862644e-03 1.500413e-02 0.000485 0.003309 True native_MD 7 180 182 + CZ_AB42_19 C_AB42_19 1 0.000000e+00 2.622530e-06 ; 3.052964e-01 -2.622530e-06 1.156408e-02 2.080229e-02 0.000485 0.000060 True native_MD 6 180 181 + CZ_AB42_19 O_AB42_19 1 0.000000e+00 8.378062e-07 ; 2.776027e-01 -8.378062e-07 1.862644e-03 1.500413e-02 0.000485 0.003309 True native_MD 7 180 182 CZ_AB42_19 N_AB42_20 1 2.538310e-03 9.711979e-06 ; 3.954824e-01 1.658523e-01 4.681521e-02 1.813531e-02 0.000485 0.003309 True native_MD 7 180 183 CZ_AB42_19 CA_AB42_20 1 5.676622e-03 5.745167e-05 ; 4.650883e-01 1.402224e-01 8.236938e-02 4.012374e-02 0.000485 0.001933 True native_MD 7 180 185 CZ_AB42_19 CB_AB42_20 1 3.648195e-03 1.845234e-05 ; 4.143133e-01 1.803203e-01 4.639937e-02 8.215321e-03 0.000485 0.002332 True native_MD 7 180 186 @@ -38350,16 +38350,16 @@ CE2_AB42_19 O2_AB42_42 1 3.471331e-04 3.690738e-07 ; 3.194745e-01 8.162418 CZ_AB42_19 CB_AB42_22 1 1.086078e-03 2.547048e-06 ; 3.644987e-01 1.157777e-01 1.248271e-02 1.524965e-02 0.000485 0.002332 True native_MD 7 180 204 CZ_AB42_19 CG_AB42_22 1 1.061019e-03 2.681368e-06 ; 3.690673e-01 1.049615e-01 1.100157e-02 1.857717e-02 0.000485 0.002332 True native_MD 7 180 205 CZ_AB42_19 CD_AB42_22 1 6.692453e-04 1.598095e-06 ; 3.655972e-01 7.006612e-02 2.799499e-03 1.905956e-02 0.000485 0.003309 True native_MD 7 180 206 - CZ_AB42_19 OE1_AB42_22 1 0.000000e+00 6.773455e-07 ; 2.727277e-01 -6.773455e-07 1.214199e-03 1.308177e-02 0.000485 0.003309 True native_MD 7 180 207 - CZ_AB42_19 OE2_AB42_22 1 0.000000e+00 6.773455e-07 ; 2.727277e-01 -6.773455e-07 1.214199e-03 1.308177e-02 0.000485 0.003309 True native_MD 7 180 208 + CZ_AB42_19 OE1_AB42_22 1 0.000000e+00 6.773426e-07 ; 2.727276e-01 -6.773426e-07 1.214199e-03 1.308177e-02 0.000485 0.003309 True native_MD 7 180 207 + CZ_AB42_19 OE2_AB42_22 1 0.000000e+00 6.773426e-07 ; 2.727276e-01 -6.773426e-07 1.214199e-03 1.308177e-02 0.000485 0.003309 True native_MD 7 180 208 CZ_AB42_19 C_AB42_22 1 1.288830e-03 3.491979e-06 ; 3.733757e-01 1.189213e-01 2.285857e-03 3.606842e-03 0.000485 0.003309 True native_MD 7 180 209 CZ_AB42_19 O_AB42_22 1 4.231351e-04 4.481135e-07 ; 3.192651e-01 9.988726e-02 1.489541e-03 4.154536e-03 0.000485 0.003309 True native_MD 7 180 210 CZ_AB42_19 N_AB42_23 1 1.278209e-03 4.304517e-06 ; 3.871570e-01 9.488979e-02 1.021726e-03 2.653254e-03 0.000485 0.003309 True native_MD 7 180 211 - CZ_AB42_19 CA_AB42_23 1 0.000000e+00 1.319944e-05 ; 3.493075e-01 -1.319944e-05 3.455534e-03 1.476201e-02 0.000485 0.001933 True native_MD 7 180 213 - CZ_AB42_19 CB_AB42_23 1 0.000000e+00 6.425074e-06 ; 3.289664e-01 -6.425074e-06 3.053214e-03 1.743799e-02 0.000485 0.002332 True native_MD 7 180 214 - CZ_AB42_19 CG_AB42_23 1 0.000000e+00 2.630753e-06 ; 3.053761e-01 -2.630753e-06 1.158950e-03 1.354382e-02 0.000485 0.003309 True native_MD 7 180 215 - CZ_AB42_19 OD1_AB42_23 1 0.000000e+00 6.750164e-07 ; 2.726494e-01 -6.750164e-07 7.553058e-04 9.143490e-03 0.000485 0.003309 True native_MD 7 180 216 - CZ_AB42_19 OD2_AB42_23 1 0.000000e+00 6.750164e-07 ; 2.726494e-01 -6.750164e-07 7.553058e-04 9.143490e-03 0.000485 0.003309 True native_MD 7 180 217 + CZ_AB42_19 CA_AB42_23 1 0.000000e+00 1.319937e-05 ; 3.493074e-01 -1.319937e-05 3.455534e-03 1.476201e-02 0.000485 0.001933 True native_MD 7 180 213 + CZ_AB42_19 CB_AB42_23 1 0.000000e+00 6.424966e-06 ; 3.289659e-01 -6.424966e-06 3.053214e-03 1.743799e-02 0.000485 0.002332 True native_MD 7 180 214 + CZ_AB42_19 CG_AB42_23 1 0.000000e+00 2.630706e-06 ; 3.053756e-01 -2.630706e-06 1.158950e-03 1.354382e-02 0.000485 0.003309 True native_MD 7 180 215 + CZ_AB42_19 OD1_AB42_23 1 0.000000e+00 6.750135e-07 ; 2.726493e-01 -6.750135e-07 7.553058e-04 9.143490e-03 0.000485 0.003309 True native_MD 7 180 216 + CZ_AB42_19 OD2_AB42_23 1 0.000000e+00 6.750135e-07 ; 2.726493e-01 -6.750135e-07 7.553058e-04 9.143490e-03 0.000485 0.003309 True native_MD 7 180 217 CZ_AB42_19 C_AB42_23 1 9.838420e-04 2.682014e-06 ; 3.737570e-01 9.022557e-02 1.675277e-03 6.238978e-03 0.000485 0.003309 True native_MD 7 180 218 CZ_AB42_19 O_AB42_23 1 3.970157e-04 4.244240e-07 ; 3.197658e-01 9.284434e-02 2.235227e-03 7.697082e-03 0.000485 0.003309 True native_MD 7 180 219 CZ_AB42_19 N_AB42_24 1 1.248158e-03 3.931948e-06 ; 3.828744e-01 9.905392e-02 1.157322e-03 2.805894e-03 0.000485 0.003309 True native_MD 7 180 220 @@ -38482,49 +38482,49 @@ CE2_AB42_19 O2_AB42_42 1 3.471331e-04 3.690738e-07 ; 3.194745e-01 8.162418 CZ_AB42_19 CA_AB42_42 1 1.706741e-03 4.673948e-06 ; 3.740412e-01 1.558085e-01 7.438184e-03 2.272661e-03 0.000485 0.001933 True native_MD 7 180 356 CZ_AB42_19 CB_AB42_42 1 1.053859e-03 1.670564e-06 ; 3.414654e-01 1.662042e-01 8.633454e-03 1.801461e-03 0.000485 0.005315 True native_MD 7 180 357 CZ_AB42_19 C_AB42_42 1 1.156007e-03 3.872125e-06 ; 3.868104e-01 8.628030e-02 7.896593e-04 1.449322e-03 0.000485 0.003309 True native_MD 7 180 358 - C_AB42_19 CB_AB42_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 186 - C_AB42_19 CG_AB42_20 1 0.000000e+00 2.547920e-06 ; 3.045630e-01 -2.547920e-06 9.729002e-01 9.534086e-01 0.000485 0.000060 True native_MD 4 181 187 - C_AB42_19 CD1_AB42_20 1 0.000000e+00 2.194304e-06 ; 3.007944e-01 -2.194304e-06 7.717768e-01 6.162045e-01 0.000485 0.000060 True native_MD 5 181 188 - C_AB42_19 CD2_AB42_20 1 0.000000e+00 2.194304e-06 ; 3.007944e-01 -2.194304e-06 7.717768e-01 6.162045e-01 0.000485 0.000060 True native_MD 5 181 189 - C_AB42_19 CE1_AB42_20 1 0.000000e+00 2.350008e-06 ; 3.025177e-01 -2.350008e-06 2.651632e-01 1.695099e-01 0.000485 0.000060 True native_MD 6 181 190 - C_AB42_19 CE2_AB42_20 1 0.000000e+00 2.350008e-06 ; 3.025177e-01 -2.350008e-06 2.651632e-01 1.695099e-01 0.000485 0.000060 True native_MD 6 181 191 + C_AB42_19 CB_AB42_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 186 + C_AB42_19 CG_AB42_20 1 0.000000e+00 2.547875e-06 ; 3.045626e-01 -2.547875e-06 9.729002e-01 9.534086e-01 0.000485 0.000060 True native_MD 4 181 187 + C_AB42_19 CD1_AB42_20 1 0.000000e+00 2.194266e-06 ; 3.007940e-01 -2.194266e-06 7.717768e-01 6.162045e-01 0.000485 0.000060 True native_MD 5 181 188 + C_AB42_19 CD2_AB42_20 1 0.000000e+00 2.194266e-06 ; 3.007940e-01 -2.194266e-06 7.717768e-01 6.162045e-01 0.000485 0.000060 True native_MD 5 181 189 + C_AB42_19 CE1_AB42_20 1 0.000000e+00 2.349967e-06 ; 3.025172e-01 -2.349967e-06 2.651632e-01 1.695099e-01 0.000485 0.000060 True native_MD 6 181 190 + C_AB42_19 CE2_AB42_20 1 0.000000e+00 2.349967e-06 ; 3.025172e-01 -2.349967e-06 2.651632e-01 1.695099e-01 0.000485 0.000060 True native_MD 6 181 191 C_AB42_19 CZ_AB42_20 1 3.326842e-03 1.875656e-05 ; 4.218780e-01 1.475201e-01 4.741312e-02 3.178978e-02 0.000485 0.003309 True native_MD 7 181 192 - C_AB42_19 O_AB42_20 1 0.000000e+00 7.413458e-07 ; 2.747874e-01 -7.413458e-07 9.558262e-01 8.523160e-01 0.000485 0.000060 True native_MD 4 181 194 - C_AB42_19 N_AB42_21 1 0.000000e+00 1.474878e-06 ; 2.909989e-01 -1.474878e-06 9.855180e-01 9.634572e-01 0.000485 0.000060 True native_MD 4 181 195 - C_AB42_19 CA_AB42_21 1 0.000000e+00 1.197285e-05 ; 3.464800e-01 -1.197285e-05 8.997617e-01 8.170903e-01 0.000485 0.000060 True native_MD 5 181 197 - C_AB42_19 CB_AB42_21 1 0.000000e+00 3.761012e-06 ; 3.146085e-01 -3.761012e-06 3.928299e-01 1.886233e-01 0.000485 0.000060 True native_MD 6 181 198 - C_AB42_19 C_AB42_21 1 0.000000e+00 2.699471e-06 ; 3.060330e-01 -2.699471e-06 6.311268e-02 1.019420e-01 0.000485 0.000060 True native_MD 6 181 199 + C_AB42_19 O_AB42_20 1 0.000000e+00 7.413424e-07 ; 2.747872e-01 -7.413424e-07 9.558262e-01 8.523160e-01 0.000485 0.000060 True native_MD 4 181 194 + C_AB42_19 N_AB42_21 1 0.000000e+00 1.474857e-06 ; 2.909986e-01 -1.474857e-06 9.855180e-01 9.634572e-01 0.000485 0.000060 True native_MD 4 181 195 + C_AB42_19 CA_AB42_21 1 0.000000e+00 1.197279e-05 ; 3.464798e-01 -1.197279e-05 8.997617e-01 8.170903e-01 0.000485 0.000060 True native_MD 5 181 197 + C_AB42_19 CB_AB42_21 1 0.000000e+00 3.760963e-06 ; 3.146081e-01 -3.760963e-06 3.928299e-01 1.886233e-01 0.000485 0.000060 True native_MD 6 181 198 + C_AB42_19 C_AB42_21 1 0.000000e+00 2.699423e-06 ; 3.060325e-01 -2.699423e-06 6.311268e-02 1.019420e-01 0.000485 0.000060 True native_MD 6 181 199 C_AB42_19 O_AB42_21 1 7.930978e-04 1.519668e-06 ; 3.524280e-01 1.034772e-01 2.466155e-02 4.043415e-02 0.000485 0.002166 True native_MD 7 181 200 C_AB42_19 N_AB42_22 1 7.224617e-04 1.383356e-06 ; 3.523870e-01 9.432695e-02 7.003465e-02 1.509936e-01 0.000485 0.002166 True native_MD 7 181 201 C_AB42_19 CA_AB42_22 1 2.051458e-03 1.284235e-05 ; 4.293027e-01 8.192582e-02 7.888595e-02 1.523613e-01 0.000485 0.001339 True native_MD 7 181 203 - C_AB42_19 CB_AB42_22 1 0.000000e+00 6.553622e-06 ; 3.295099e-01 -6.553622e-06 7.060356e-02 1.052835e-01 0.000485 0.000060 True native_MD 7 181 204 - C_AB42_19 CG_AB42_22 1 0.000000e+00 6.589294e-06 ; 3.296590e-01 -6.589294e-06 4.149129e-02 8.180304e-02 0.000485 0.000060 True native_MD 7 181 205 + C_AB42_19 CB_AB42_22 1 0.000000e+00 6.553512e-06 ; 3.295094e-01 -6.553512e-06 7.060356e-02 1.052835e-01 0.000485 0.000060 True native_MD 7 181 204 + C_AB42_19 CG_AB42_22 1 0.000000e+00 6.589183e-06 ; 3.296585e-01 -6.589183e-06 4.149129e-02 8.180304e-02 0.000485 0.000060 True native_MD 7 181 205 C_AB42_19 CD_AB42_22 1 1.070048e-03 3.078178e-06 ; 3.771219e-01 9.299357e-02 9.266031e-03 2.079038e-02 0.000485 0.002166 True native_MD 7 181 206 C_AB42_19 OE1_AB42_22 1 5.481724e-04 8.974408e-07 ; 3.433060e-01 8.370829e-02 2.224981e-03 6.591534e-03 0.000485 0.002166 True native_MD 7 181 207 C_AB42_19 OE2_AB42_22 1 5.481724e-04 8.974408e-07 ; 3.433060e-01 8.370829e-02 2.224981e-03 6.591534e-03 0.000485 0.002166 True native_MD 7 181 208 C_AB42_19 C_AB42_22 1 1.789830e-03 7.591514e-06 ; 4.023334e-01 1.054958e-01 1.027342e-02 1.585612e-02 0.000485 0.002166 True native_MD 7 181 209 C_AB42_19 O_AB42_22 1 4.625191e-04 4.996546e-07 ; 3.203244e-01 1.070359e-01 1.527106e-02 2.250848e-02 0.000485 0.002166 True native_MD 7 181 210 - C_AB42_19 N_AB42_23 1 0.000000e+00 1.532761e-06 ; 2.919339e-01 -1.532761e-06 2.621865e-03 1.894137e-02 0.000485 0.002166 True native_MD 7 181 211 - C_AB42_19 CA_AB42_23 1 0.000000e+00 1.338903e-05 ; 3.497229e-01 -1.338903e-05 5.719797e-03 3.155266e-02 0.000485 0.001339 True native_MD 7 181 213 - C_AB42_19 CB_AB42_23 1 0.000000e+00 6.482941e-06 ; 3.292123e-01 -6.482941e-06 1.324912e-02 3.676988e-02 0.000485 0.000060 True native_MD 7 181 214 + C_AB42_19 N_AB42_23 1 0.000000e+00 1.532739e-06 ; 2.919336e-01 -1.532739e-06 2.621865e-03 1.894137e-02 0.000485 0.002166 True native_MD 7 181 211 + C_AB42_19 CA_AB42_23 1 0.000000e+00 1.338896e-05 ; 3.497228e-01 -1.338896e-05 5.719797e-03 3.155266e-02 0.000485 0.001339 True native_MD 7 181 213 + C_AB42_19 CB_AB42_23 1 0.000000e+00 6.482832e-06 ; 3.292118e-01 -6.482832e-06 1.324912e-02 3.676988e-02 0.000485 0.000060 True native_MD 7 181 214 C_AB42_19 CG_AB42_23 1 1.797137e-03 7.068679e-06 ; 3.973070e-01 1.142257e-01 9.995043e-03 1.187971e-02 0.000485 0.002166 True native_MD 7 181 215 C_AB42_19 OD1_AB42_23 1 4.784222e-04 5.718119e-07 ; 3.257669e-01 1.000713e-01 5.020037e-03 9.113868e-03 0.000485 0.002166 True native_MD 7 181 216 C_AB42_19 OD2_AB42_23 1 4.784222e-04 5.718119e-07 ; 3.257669e-01 1.000713e-01 5.020037e-03 9.113868e-03 0.000485 0.002166 True native_MD 7 181 217 - C_AB42_19 O_AB42_23 1 0.000000e+00 8.297312e-07 ; 2.773787e-01 -8.297312e-07 7.977575e-04 4.169667e-03 0.000485 0.002166 True native_MD 7 181 219 + C_AB42_19 O_AB42_23 1 0.000000e+00 8.297274e-07 ; 2.773786e-01 -8.297274e-07 7.977575e-04 4.169667e-03 0.000485 0.002166 True native_MD 7 181 219 C_AB42_19 CA_AB42_24 1 4.674855e-03 5.532541e-05 ; 4.773747e-01 9.875332e-02 1.755477e-03 2.049126e-03 0.000485 0.001339 True native_MD 7 181 222 - C_AB42_19 CB_AB42_24 1 0.000000e+00 1.302484e-05 ; 3.489201e-01 -1.302484e-05 7.594488e-03 5.523682e-03 0.000485 0.000060 True native_MD 7 181 223 - C_AB42_19 CG1_AB42_24 1 0.000000e+00 4.733504e-06 ; 3.206960e-01 -4.733504e-06 4.181321e-03 5.744592e-03 0.000485 0.000060 True native_MD 7 181 224 - C_AB42_19 CG2_AB42_24 1 0.000000e+00 4.713767e-06 ; 3.205844e-01 -4.713767e-06 1.078618e-02 8.173297e-03 0.000485 0.000060 True native_MD 7 181 225 + C_AB42_19 CB_AB42_24 1 0.000000e+00 1.302477e-05 ; 3.489200e-01 -1.302477e-05 7.594488e-03 5.523682e-03 0.000485 0.000060 True native_MD 7 181 223 + C_AB42_19 CG1_AB42_24 1 0.000000e+00 4.733442e-06 ; 3.206957e-01 -4.733442e-06 4.181321e-03 5.744592e-03 0.000485 0.000060 True native_MD 7 181 224 + C_AB42_19 CG2_AB42_24 1 0.000000e+00 4.713705e-06 ; 3.205840e-01 -4.713705e-06 1.078618e-02 8.173297e-03 0.000485 0.000060 True native_MD 7 181 225 C_AB42_19 N_AB42_25 1 8.453506e-04 2.227174e-06 ; 3.716375e-01 8.021575e-02 6.585987e-04 4.437321e-04 0.000485 0.002166 True native_MD 7 181 228 C_AB42_19 CA_AB42_25 1 1.412458e-03 4.860122e-06 ; 3.885485e-01 1.026228e-01 3.064326e-03 3.768930e-03 0.000485 0.001584 True native_MD 7 181 230 C_AB42_19 C_AB42_25 1 1.917792e-03 9.619011e-06 ; 4.137343e-01 9.559004e-02 1.043363e-03 8.662696e-04 0.000485 0.002166 True native_MD 7 181 231 C_AB42_19 CA_AB42_26 1 3.613860e-03 3.176796e-05 ; 4.542933e-01 1.027764e-01 3.181203e-03 3.292143e-03 0.000485 0.001339 True native_MD 7 181 235 - C_AB42_19 CB_AB42_26 1 0.000000e+00 6.321095e-06 ; 3.285194e-01 -6.321095e-06 8.913823e-03 6.882551e-03 0.000485 0.000060 True native_MD 7 181 236 + C_AB42_19 CB_AB42_26 1 0.000000e+00 6.320989e-06 ; 3.285189e-01 -6.320989e-06 8.913823e-03 6.882551e-03 0.000485 0.000060 True native_MD 7 181 236 C_AB42_19 OG_AB42_26 1 8.699253e-04 1.254157e-06 ; 3.361076e-01 1.508524e-01 1.000077e-02 3.972287e-03 0.000485 0.002166 True native_MD 7 181 237 C_AB42_19 C_AB42_26 1 1.592646e-03 7.930976e-06 ; 4.132389e-01 7.995619e-02 6.535027e-04 3.396599e-05 0.000485 0.002166 True native_MD 7 181 238 C_AB42_19 O_AB42_26 1 6.050447e-04 1.051707e-06 ; 3.467511e-01 8.702020e-02 8.073392e-04 3.726900e-04 0.000485 0.002166 True native_MD 7 181 239 C_AB42_19 CA_AB42_27 1 4.134875e-03 2.747219e-05 ; 4.335826e-01 1.555863e-01 6.283285e-03 8.200994e-04 0.000485 0.001339 True native_MD 7 181 242 - C_AB42_19 CB_AB42_27 1 0.000000e+00 6.295575e-06 ; 3.284087e-01 -6.295575e-06 7.259357e-03 1.199030e-03 0.000485 0.000060 True native_MD 7 181 243 + C_AB42_19 CB_AB42_27 1 0.000000e+00 6.295469e-06 ; 3.284082e-01 -6.295469e-06 7.259357e-03 1.199030e-03 0.000485 0.000060 True native_MD 7 181 243 C_AB42_19 CG_AB42_27 1 2.238501e-03 6.630321e-06 ; 3.789625e-01 1.889383e-01 1.704714e-02 1.050974e-03 0.000485 0.002166 True native_MD 7 181 244 C_AB42_19 OD1_AB42_27 1 6.932730e-04 6.294178e-07 ; 3.111758e-01 1.909016e-01 1.807874e-02 1.147516e-03 0.000485 0.002166 True native_MD 7 181 245 C_AB42_19 ND2_AB42_27 1 9.487009e-04 1.249277e-06 ; 3.310713e-01 1.801109e-01 1.443751e-02 2.389131e-03 0.000485 0.002166 True native_MD 7 181 246 @@ -38532,10 +38532,10 @@ CE2_AB42_19 O2_AB42_42 1 3.471331e-04 3.690738e-07 ; 3.194745e-01 8.162418 C_AB42_19 O_AB42_27 1 5.579470e-04 6.911967e-07 ; 3.277189e-01 1.125963e-01 1.735643e-03 2.429064e-04 0.000485 0.002166 True native_MD 7 181 248 C_AB42_19 N_AB42_28 1 7.150229e-04 1.339110e-06 ; 3.510880e-01 9.544732e-02 1.038916e-03 5.043952e-05 0.000485 0.002166 True native_MD 7 181 249 C_AB42_19 CA_AB42_28 1 2.926604e-03 1.445052e-05 ; 4.126545e-01 1.481783e-01 5.033929e-03 6.907068e-04 0.000485 0.001339 True native_MD 7 181 251 - C_AB42_19 CB_AB42_28 1 0.000000e+00 6.317086e-06 ; 3.285020e-01 -6.317086e-06 3.091033e-03 4.268969e-04 0.000485 0.000060 True native_MD 7 181 252 - C_AB42_19 CG_AB42_28 1 0.000000e+00 6.319260e-06 ; 3.285115e-01 -6.319260e-06 2.976699e-03 6.556396e-04 0.000485 0.000060 True native_MD 7 181 253 - C_AB42_19 CD_AB42_28 1 0.000000e+00 6.323210e-06 ; 3.285286e-01 -6.323210e-06 2.815549e-03 1.118178e-03 0.000485 0.000060 True native_MD 7 181 254 - C_AB42_19 CE_AB42_28 1 0.000000e+00 6.326297e-06 ; 3.285419e-01 -6.326297e-06 3.320565e-03 2.110527e-03 0.000485 0.000060 True native_MD 7 181 255 + C_AB42_19 CB_AB42_28 1 0.000000e+00 6.316980e-06 ; 3.285016e-01 -6.316980e-06 3.091033e-03 4.268969e-04 0.000485 0.000060 True native_MD 7 181 252 + C_AB42_19 CG_AB42_28 1 0.000000e+00 6.319153e-06 ; 3.285110e-01 -6.319153e-06 2.976699e-03 6.556396e-04 0.000485 0.000060 True native_MD 7 181 253 + C_AB42_19 CD_AB42_28 1 0.000000e+00 6.323104e-06 ; 3.285281e-01 -6.323104e-06 2.815549e-03 1.118178e-03 0.000485 0.000060 True native_MD 7 181 254 + C_AB42_19 CE_AB42_28 1 0.000000e+00 6.326191e-06 ; 3.285415e-01 -6.326191e-06 3.320565e-03 2.110527e-03 0.000485 0.000060 True native_MD 7 181 255 C_AB42_19 NZ_AB42_28 1 7.075907e-04 1.131197e-06 ; 3.419474e-01 1.106538e-01 1.637621e-03 1.283077e-03 0.000485 0.002166 True native_MD 7 181 256 C_AB42_19 C_AB42_28 1 2.593411e-03 1.227768e-05 ; 4.097706e-01 1.369513e-01 3.597447e-03 2.383709e-04 0.000485 0.002166 True native_MD 7 181 257 C_AB42_19 O_AB42_28 1 5.571688e-04 6.145380e-07 ; 3.214354e-01 1.262888e-01 2.614670e-03 5.519611e-04 0.000485 0.002166 True native_MD 7 181 258 @@ -38571,7 +38571,7 @@ CE2_AB42_19 O2_AB42_42 1 3.471331e-04 3.690738e-07 ; 3.194745e-01 8.162418 C_AB42_19 CB_AB42_34 1 1.406060e-03 6.931565e-06 ; 4.125449e-01 7.130443e-02 2.843974e-03 3.366710e-04 0.000485 0.000060 True native_MD 7 181 296 C_AB42_19 CG_AB42_34 1 2.068657e-03 1.389347e-05 ; 4.343639e-01 7.700272e-02 8.263396e-03 8.248593e-04 0.000485 0.000060 True native_MD 7 181 297 C_AB42_19 CD1_AB42_34 1 6.974914e-04 1.608137e-06 ; 3.634662e-01 7.563012e-02 8.322405e-03 8.655844e-04 0.000485 0.000060 True native_MD 7 181 298 - C_AB42_19 CD2_AB42_34 1 0.000000e+00 4.695626e-06 ; 3.204814e-01 -4.695626e-06 7.522914e-03 1.071533e-03 0.000485 0.000060 True native_MD 7 181 299 + C_AB42_19 CD2_AB42_34 1 0.000000e+00 4.695564e-06 ; 3.204810e-01 -4.695564e-06 7.522914e-03 1.071533e-03 0.000485 0.000060 True native_MD 7 181 299 C_AB42_19 C_AB42_34 1 2.480071e-03 1.371014e-05 ; 4.204971e-01 1.121570e-01 1.712973e-03 4.243688e-06 0.000485 0.002166 True native_MD 7 181 300 C_AB42_19 O_AB42_34 1 7.213773e-04 9.697323e-07 ; 3.322117e-01 1.341569e-01 3.308845e-03 2.341931e-04 0.000485 0.002166 True native_MD 7 181 301 C_AB42_19 CA_AB42_35 1 2.646569e-03 1.029072e-05 ; 3.965461e-01 1.701613e-01 9.718820e-03 2.748706e-04 0.000485 0.001339 True native_MD 7 181 304 @@ -38615,7 +38615,7 @@ CE2_AB42_19 O2_AB42_42 1 3.471331e-04 3.690738e-07 ; 3.194745e-01 8.162418 C_AB42_19 CB_AB42_41 1 2.352379e-03 1.228652e-05 ; 4.165370e-01 1.125967e-01 8.493706e-03 2.922238e-04 0.000485 0.000060 True native_MD 7 181 348 C_AB42_19 CG1_AB42_41 1 9.926476e-04 2.723753e-06 ; 3.741641e-01 9.044039e-02 6.878761e-03 4.592897e-04 0.000485 0.000060 True native_MD 7 181 349 C_AB42_19 CG2_AB42_41 1 1.201941e-03 3.168566e-06 ; 3.716749e-01 1.139839e-01 5.031552e-03 1.660699e-04 0.000485 0.000060 True native_MD 7 181 350 - C_AB42_19 CD_AB42_41 1 0.000000e+00 4.701944e-06 ; 3.205173e-01 -4.701944e-06 6.091711e-03 9.771782e-04 0.000485 0.000060 True native_MD 7 181 351 + C_AB42_19 CD_AB42_41 1 0.000000e+00 4.701882e-06 ; 3.205169e-01 -4.701882e-06 6.091711e-03 9.771782e-04 0.000485 0.000060 True native_MD 7 181 351 C_AB42_19 C_AB42_41 1 2.960105e-03 1.616453e-05 ; 4.196391e-01 1.355162e-01 3.446215e-03 2.443244e-05 0.000485 0.002166 True native_MD 7 181 352 C_AB42_19 O_AB42_41 1 5.800044e-04 6.350476e-07 ; 3.210425e-01 1.324330e-01 3.142470e-03 4.994138e-05 0.000485 0.002166 True native_MD 7 181 353 C_AB42_19 N_AB42_42 1 9.068815e-04 1.628693e-06 ; 3.486434e-01 1.262414e-01 2.610963e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 181 354 @@ -38623,18 +38623,18 @@ CE2_AB42_19 O2_AB42_42 1 3.471331e-04 3.690738e-07 ; 3.194745e-01 8.162418 C_AB42_19 CB_AB42_42 1 7.366000e-04 1.450977e-06 ; 3.540556e-01 9.348517e-02 5.049283e-03 3.077756e-04 0.000485 0.000060 True native_MD 7 181 357 O_AB42_19 O_AB42_19 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 182 182 O_AB42_19 H_AB42_20 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 182 184 - O_AB42_19 CB_AB42_20 1 0.000000e+00 2.015619e-06 ; 2.986728e-01 -2.015619e-06 1.000000e+00 9.999813e-01 0.000485 0.000060 True native_MD 4 182 186 - O_AB42_19 CG_AB42_20 1 0.000000e+00 6.705409e-07 ; 2.724983e-01 -6.705409e-07 6.492837e-01 4.601510e-01 0.000485 0.000060 True native_MD 5 182 187 - O_AB42_19 CD1_AB42_20 1 0.000000e+00 7.544930e-07 ; 2.751902e-01 -7.544930e-07 3.414683e-01 2.538566e-01 0.000485 0.000060 True native_MD 6 182 188 - O_AB42_19 CD2_AB42_20 1 0.000000e+00 7.544930e-07 ; 2.751902e-01 -7.544930e-07 3.414683e-01 2.538566e-01 0.000485 0.000060 True native_MD 6 182 189 + O_AB42_19 CB_AB42_20 1 0.000000e+00 2.015611e-06 ; 2.986727e-01 -2.015611e-06 1.000000e+00 9.999813e-01 0.000485 0.000060 True native_MD 4 182 186 + O_AB42_19 CG_AB42_20 1 0.000000e+00 6.705378e-07 ; 2.724982e-01 -6.705378e-07 6.492837e-01 4.601510e-01 0.000485 0.000060 True native_MD 5 182 187 + O_AB42_19 CD1_AB42_20 1 0.000000e+00 7.544895e-07 ; 2.751901e-01 -7.544895e-07 3.414683e-01 2.538566e-01 0.000485 0.000060 True native_MD 6 182 188 + O_AB42_19 CD2_AB42_20 1 0.000000e+00 7.544895e-07 ; 2.751901e-01 -7.544895e-07 3.414683e-01 2.538566e-01 0.000485 0.000060 True native_MD 6 182 189 O_AB42_19 CE1_AB42_20 1 1.004110e-03 1.900852e-06 ; 3.517179e-01 1.326034e-01 5.417791e-02 5.676650e-02 0.000485 0.003309 True native_MD 7 182 190 O_AB42_19 CE2_AB42_20 1 1.004110e-03 1.900852e-06 ; 3.517179e-01 1.326034e-01 5.417791e-02 5.676650e-02 0.000485 0.003309 True native_MD 7 182 191 O_AB42_19 CZ_AB42_20 1 1.439759e-03 3.941236e-06 ; 3.740162e-01 1.314884e-01 1.713550e-02 1.856340e-02 0.000485 0.003309 True native_MD 7 182 192 - O_AB42_19 C_AB42_20 1 0.000000e+00 8.222045e-07 ; 2.771681e-01 -8.222045e-07 9.999587e-01 9.942287e-01 0.000485 0.000060 True native_MD 4 182 193 + O_AB42_19 C_AB42_20 1 0.000000e+00 8.222007e-07 ; 2.771680e-01 -8.222007e-07 9.999587e-01 9.942287e-01 0.000485 0.000060 True native_MD 4 182 193 O_AB42_19 O_AB42_20 1 0.000000e+00 1.313569e-06 ; 2.882036e-01 -1.313569e-06 9.137544e-01 7.894669e-01 0.000485 0.000060 True native_MD 5 182 194 O_AB42_19 N_AB42_21 1 0.000000e+00 1.381348e-06 ; 2.894145e-01 -1.381348e-06 9.410416e-01 8.619403e-01 0.000485 0.000060 True native_MD 5 182 195 - O_AB42_19 H_AB42_21 1 0.000000e+00 1.396576e-08 ; 1.973560e-01 -1.396576e-08 2.554220e-01 1.554981e-01 0.000485 0.000060 True native_MD 6 182 196 - O_AB42_19 CA_AB42_21 1 0.000000e+00 3.250351e-06 ; 3.108059e-01 -3.250351e-06 7.024591e-01 4.850172e-01 0.000485 0.000060 True native_MD 6 182 197 + O_AB42_19 H_AB42_21 1 0.000000e+00 1.396598e-08 ; 1.973563e-01 -1.396598e-08 2.554220e-01 1.554981e-01 0.000485 0.000060 True native_MD 6 182 196 + O_AB42_19 CA_AB42_21 1 0.000000e+00 3.250377e-06 ; 3.108061e-01 -3.250377e-06 7.024591e-01 4.850172e-01 0.000485 0.000060 True native_MD 6 182 197 O_AB42_19 CB_AB42_21 1 1.219148e-03 2.787757e-06 ; 3.629664e-01 1.332901e-01 2.477686e-01 9.149254e-02 0.000485 0.001191 True native_MD 7 182 198 O_AB42_19 C_AB42_21 1 1.029981e-03 2.274047e-06 ; 3.608514e-01 1.166269e-01 5.056455e-02 5.593347e-02 0.000485 0.002166 True native_MD 7 182 199 O_AB42_19 O_AB42_21 1 0.000000e+00 1.531651e-06 ; 2.919163e-01 -1.531651e-06 3.918382e-02 6.028441e-02 0.000485 0.000060 True native_MD 7 182 200 @@ -38650,12 +38650,12 @@ CE2_AB42_19 O2_AB42_42 1 3.471331e-04 3.690738e-07 ; 3.194745e-01 8.162418 O_AB42_19 O_AB42_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 182 210 O_AB42_19 N_AB42_23 1 0.000000e+00 1.590344e-06 ; 2.928325e-01 -1.590344e-06 4.623009e-03 6.485206e-02 0.000485 0.002166 True native_MD 7 182 211 O_AB42_19 H_AB42_23 1 4.250192e-06 6.289313e-11 ; 1.566868e-01 7.180487e-02 2.361102e-03 2.451269e-02 0.000485 0.005316 True native_MD 7 182 212 - O_AB42_19 CA_AB42_23 1 0.000000e+00 4.346768e-06 ; 3.184263e-01 -4.346768e-06 5.101451e-03 5.163414e-02 0.000485 0.001339 True native_MD 7 182 213 - O_AB42_19 CB_AB42_23 1 0.000000e+00 2.104693e-06 ; 2.997511e-01 -2.104693e-06 4.082484e-03 4.825496e-02 0.000485 0.001191 True native_MD 7 182 214 - O_AB42_19 CG_AB42_23 1 0.000000e+00 8.499059e-07 ; 2.779346e-01 -8.499059e-07 1.322225e-03 2.909082e-02 0.000485 0.002166 True native_MD 7 182 215 + O_AB42_19 CA_AB42_23 1 0.000000e+00 4.346802e-06 ; 3.184265e-01 -4.346802e-06 5.101451e-03 5.163414e-02 0.000485 0.001339 True native_MD 7 182 213 + O_AB42_19 CB_AB42_23 1 0.000000e+00 2.104685e-06 ; 2.997510e-01 -2.104685e-06 4.082484e-03 4.825496e-02 0.000485 0.001191 True native_MD 7 182 214 + O_AB42_19 CG_AB42_23 1 0.000000e+00 8.499020e-07 ; 2.779345e-01 -8.499020e-07 1.322225e-03 2.909082e-02 0.000485 0.002166 True native_MD 7 182 215 O_AB42_19 OD1_AB42_23 1 0.000000e+00 1.550354e-06 ; 2.922117e-01 -1.550354e-06 3.175367e-03 3.674479e-02 0.000485 0.000060 True native_MD 7 182 216 O_AB42_19 OD2_AB42_23 1 0.000000e+00 1.550354e-06 ; 2.922117e-01 -1.550354e-06 3.175367e-03 3.674479e-02 0.000485 0.000060 True native_MD 7 182 217 - O_AB42_19 C_AB42_23 1 0.000000e+00 8.314387e-07 ; 2.774262e-01 -8.314387e-07 1.064510e-03 6.501274e-03 0.000485 0.002166 True native_MD 7 182 218 + O_AB42_19 C_AB42_23 1 0.000000e+00 8.314349e-07 ; 2.774261e-01 -8.314349e-07 1.064510e-03 6.501274e-03 0.000485 0.002166 True native_MD 7 182 218 O_AB42_19 O_AB42_23 1 0.000000e+00 1.519995e-06 ; 2.917305e-01 -1.519995e-06 2.138663e-03 1.546883e-02 0.000485 0.000060 True native_MD 7 182 219 O_AB42_19 N_AB42_24 1 7.890230e-04 2.090460e-06 ; 3.719850e-01 7.445218e-02 8.744707e-04 3.417497e-03 0.000485 0.002166 True native_MD 7 182 220 O_AB42_19 H_AB42_24 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 182 221 @@ -38798,42 +38798,42 @@ CE2_AB42_19 O2_AB42_42 1 3.471331e-04 3.690738e-07 ; 3.194745e-01 8.162418 O_AB42_19 C_AB42_42 1 1.043222e-03 2.680802e-06 ; 3.700963e-01 1.014912e-01 1.244890e-03 1.647874e-04 0.000485 0.002166 True native_MD 7 182 358 O_AB42_19 O1_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 182 359 O_AB42_19 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 182 360 - N_AB42_20 CB_AB42_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 183 186 - N_AB42_20 CD1_AB42_20 1 0.000000e+00 1.423271e-06 ; 2.901365e-01 -1.423271e-06 9.560267e-01 8.997474e-01 0.000485 0.000060 True native_MD 4 183 188 - N_AB42_20 CD2_AB42_20 1 0.000000e+00 1.423271e-06 ; 2.901365e-01 -1.423271e-06 9.560267e-01 8.997474e-01 0.000485 0.000060 True native_MD 4 183 189 - N_AB42_20 CE1_AB42_20 1 0.000000e+00 1.238618e-06 ; 2.867960e-01 -1.238618e-06 5.065453e-01 3.278289e-01 0.000485 0.000060 True native_MD 5 183 190 - N_AB42_20 CE2_AB42_20 1 0.000000e+00 1.238618e-06 ; 2.867960e-01 -1.238618e-06 5.065453e-01 3.278289e-01 0.000485 0.000060 True native_MD 5 183 191 - N_AB42_20 CZ_AB42_20 1 0.000000e+00 1.495368e-06 ; 2.913337e-01 -1.495368e-06 3.937594e-02 3.090169e-02 0.000485 0.000060 True native_MD 6 183 192 - N_AB42_20 CA_AB42_21 1 0.000000e+00 7.574649e-06 ; 3.335098e-01 -7.574649e-06 9.999942e-01 9.999485e-01 0.000485 0.000060 True native_MD 4 183 197 - N_AB42_20 CB_AB42_21 1 0.000000e+00 2.486426e-06 ; 3.039436e-01 -2.486426e-06 3.979499e-01 3.044364e-01 0.000485 0.000060 True native_MD 5 183 198 - N_AB42_20 C_AB42_21 1 0.000000e+00 1.529504e-06 ; 2.918822e-01 -1.529504e-06 4.597634e-02 6.013624e-02 0.000485 0.000060 True native_MD 5 183 199 + N_AB42_20 CB_AB42_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 183 186 + N_AB42_20 CD1_AB42_20 1 0.000000e+00 1.423251e-06 ; 2.901361e-01 -1.423251e-06 9.560267e-01 8.997474e-01 0.000485 0.000060 True native_MD 4 183 188 + N_AB42_20 CD2_AB42_20 1 0.000000e+00 1.423251e-06 ; 2.901361e-01 -1.423251e-06 9.560267e-01 8.997474e-01 0.000485 0.000060 True native_MD 4 183 189 + N_AB42_20 CE1_AB42_20 1 0.000000e+00 1.238600e-06 ; 2.867957e-01 -1.238600e-06 5.065453e-01 3.278289e-01 0.000485 0.000060 True native_MD 5 183 190 + N_AB42_20 CE2_AB42_20 1 0.000000e+00 1.238600e-06 ; 2.867957e-01 -1.238600e-06 5.065453e-01 3.278289e-01 0.000485 0.000060 True native_MD 5 183 191 + N_AB42_20 CZ_AB42_20 1 0.000000e+00 1.495347e-06 ; 2.913333e-01 -1.495347e-06 3.937594e-02 3.090169e-02 0.000485 0.000060 True native_MD 6 183 192 + N_AB42_20 CA_AB42_21 1 0.000000e+00 7.574637e-06 ; 3.335097e-01 -7.574637e-06 9.999942e-01 9.999485e-01 0.000485 0.000060 True native_MD 4 183 197 + N_AB42_20 CB_AB42_21 1 0.000000e+00 2.486402e-06 ; 3.039433e-01 -2.486402e-06 3.979499e-01 3.044364e-01 0.000485 0.000060 True native_MD 5 183 198 + N_AB42_20 C_AB42_21 1 0.000000e+00 1.529482e-06 ; 2.918818e-01 -1.529482e-06 4.597634e-02 6.013624e-02 0.000485 0.000060 True native_MD 5 183 199 N_AB42_20 O_AB42_21 1 0.000000e+00 1.500456e-06 ; 2.914161e-01 -1.500456e-06 6.796288e-02 6.826669e-02 0.000485 0.000060 True native_MD 6 183 200 - N_AB42_20 N_AB42_22 1 0.000000e+00 9.207055e-07 ; 2.797940e-01 -9.207055e-07 3.940568e-02 9.128707e-02 0.000485 0.000060 True native_MD 6 183 201 + N_AB42_20 N_AB42_22 1 0.000000e+00 9.206958e-07 ; 2.797938e-01 -9.206958e-07 3.940568e-02 9.128707e-02 0.000485 0.000060 True native_MD 6 183 201 N_AB42_20 CA_AB42_22 1 3.523512e-03 3.494690e-05 ; 4.635239e-01 8.881430e-02 2.643562e-02 4.154728e-02 0.000485 0.001339 True native_MD 7 183 203 - N_AB42_20 CB_AB42_22 1 0.000000e+00 3.655479e-06 ; 3.138632e-01 -3.655479e-06 1.637149e-02 1.076685e-02 0.000485 0.000060 True native_MD 7 183 204 - N_AB42_20 CG_AB42_22 1 0.000000e+00 3.669383e-06 ; 3.139625e-01 -3.669383e-06 1.945183e-02 1.762966e-02 0.000485 0.000060 True native_MD 7 183 205 + N_AB42_20 CB_AB42_22 1 0.000000e+00 3.655430e-06 ; 3.138628e-01 -3.655430e-06 1.637149e-02 1.076685e-02 0.000485 0.000060 True native_MD 7 183 204 + N_AB42_20 CG_AB42_22 1 0.000000e+00 3.669335e-06 ; 3.139621e-01 -3.669335e-06 1.945183e-02 1.762966e-02 0.000485 0.000060 True native_MD 7 183 205 N_AB42_20 CD_AB42_22 1 6.986090e-04 9.655258e-07 ; 3.337503e-01 1.263702e-01 2.621044e-03 1.264251e-03 0.000485 0.002166 True native_MD 7 183 206 N_AB42_20 OE1_AB42_22 1 1.507758e-04 4.479427e-08 ; 2.583143e-01 1.268765e-01 3.242742e-03 2.639591e-03 0.000485 0.002166 True native_MD 7 183 207 N_AB42_20 OE2_AB42_22 1 1.507758e-04 4.479427e-08 ; 2.583143e-01 1.268765e-01 3.242742e-03 2.639591e-03 0.000485 0.002166 True native_MD 7 183 208 N_AB42_20 O_AB42_22 1 1.008948e-03 2.418941e-06 ; 3.658413e-01 1.052088e-01 8.868498e-03 1.380635e-02 0.000485 0.002166 True native_MD 7 183 210 - N_AB42_20 N_AB42_23 1 0.000000e+00 8.753429e-07 ; 2.786184e-01 -8.753429e-07 9.211771e-04 9.769915e-04 0.000485 0.000060 True native_MD 7 183 211 + N_AB42_20 N_AB42_23 1 0.000000e+00 8.753337e-07 ; 2.786182e-01 -8.753337e-07 9.211771e-04 9.769915e-04 0.000485 0.000060 True native_MD 7 183 211 N_AB42_20 CA_AB42_23 1 3.093060e-03 2.247496e-05 ; 4.401004e-01 1.064186e-01 1.127890e-02 1.046700e-02 0.000485 0.001339 True native_MD 7 183 213 - N_AB42_20 CB_AB42_23 1 0.000000e+00 3.686672e-06 ; 3.140855e-01 -3.686672e-06 2.556772e-02 2.844847e-02 0.000485 0.000060 True native_MD 7 183 214 + N_AB42_20 CB_AB42_23 1 0.000000e+00 3.686623e-06 ; 3.140851e-01 -3.686623e-06 2.556772e-02 2.844847e-02 0.000485 0.000060 True native_MD 7 183 214 N_AB42_20 CG_AB42_23 1 5.833467e-04 6.498904e-07 ; 3.219726e-01 1.309042e-01 1.199939e-02 8.658105e-03 0.000485 0.002166 True native_MD 7 183 215 N_AB42_20 OD1_AB42_23 1 1.089375e-04 2.931379e-08 ; 2.540870e-01 1.012099e-01 1.012344e-02 1.776365e-02 0.000485 0.002166 True native_MD 7 183 216 N_AB42_20 OD2_AB42_23 1 1.089375e-04 2.931379e-08 ; 2.540870e-01 1.012099e-01 1.012344e-02 1.776365e-02 0.000485 0.002166 True native_MD 7 183 217 N_AB42_20 O_AB42_23 1 1.184122e-04 4.842958e-08 ; 2.724493e-01 7.238062e-02 2.512424e-03 1.044670e-02 0.000485 0.002166 True native_MD 7 183 219 N_AB42_20 N_AB42_24 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 6.640853e-05 1.472383e-05 0.000485 0.000060 True native_MD 7 183 220 N_AB42_20 CA_AB42_24 1 2.370541e-03 1.900918e-05 ; 4.473897e-01 7.390457e-02 7.013462e-04 1.722116e-03 0.000485 0.001339 True native_MD 7 183 222 - N_AB42_20 CB_AB42_24 1 0.000000e+00 7.578935e-06 ; 3.335255e-01 -7.578935e-06 3.084432e-03 3.604601e-03 0.000485 0.000060 True native_MD 7 183 223 - N_AB42_20 CG1_AB42_24 1 0.000000e+00 2.747986e-06 ; 3.064876e-01 -2.747986e-06 2.012784e-03 3.857484e-03 0.000485 0.000060 True native_MD 7 183 224 - N_AB42_20 CG2_AB42_24 1 0.000000e+00 2.739896e-06 ; 3.064123e-01 -2.739896e-06 6.543495e-03 5.438765e-03 0.000485 0.000060 True native_MD 7 183 225 + N_AB42_20 CB_AB42_24 1 0.000000e+00 7.578923e-06 ; 3.335254e-01 -7.578923e-06 3.084432e-03 3.604601e-03 0.000485 0.000060 True native_MD 7 183 223 + N_AB42_20 CG1_AB42_24 1 0.000000e+00 2.747960e-06 ; 3.064873e-01 -2.747960e-06 2.012784e-03 3.857484e-03 0.000485 0.000060 True native_MD 7 183 224 + N_AB42_20 CG2_AB42_24 1 0.000000e+00 2.739870e-06 ; 3.064120e-01 -2.739870e-06 6.543495e-03 5.438765e-03 0.000485 0.000060 True native_MD 7 183 225 N_AB42_20 N_AB42_25 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.035494e-04 5.868141e-05 0.000485 0.000060 True native_MD 7 183 228 N_AB42_20 CA_AB42_25 1 8.044562e-04 1.685625e-06 ; 3.577199e-01 9.598069e-02 1.208127e-03 1.812701e-03 0.000485 0.001584 True native_MD 7 183 230 N_AB42_20 O_AB42_25 1 3.127293e-04 2.874545e-07 ; 3.118172e-01 8.505658e-02 7.612644e-04 1.172101e-03 0.000485 0.002166 True native_MD 7 183 232 N_AB42_20 N_AB42_26 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.767306e-04 7.974909e-05 0.000485 0.000060 True native_MD 7 183 233 N_AB42_20 CA_AB42_26 1 1.590942e-03 5.536697e-06 ; 3.892835e-01 1.142874e-01 2.503369e-03 1.835748e-03 0.000485 0.001339 True native_MD 7 183 235 - N_AB42_20 CB_AB42_26 1 0.000000e+00 3.661098e-06 ; 3.139033e-01 -3.661098e-06 8.451760e-03 4.375673e-03 0.000485 0.000060 True native_MD 7 183 236 + N_AB42_20 CB_AB42_26 1 0.000000e+00 3.661049e-06 ; 3.139030e-01 -3.661049e-06 8.451760e-03 4.375673e-03 0.000485 0.000060 True native_MD 7 183 236 N_AB42_20 OG_AB42_26 1 3.325250e-04 1.645138e-07 ; 2.812309e-01 1.680298e-01 9.310330e-03 2.211718e-03 0.000485 0.002166 True native_MD 7 183 237 N_AB42_20 C_AB42_26 1 7.974634e-04 1.881110e-06 ; 3.648524e-01 8.451763e-02 7.490848e-04 1.179080e-04 0.000485 0.002166 True native_MD 7 183 238 N_AB42_20 O_AB42_26 1 1.916566e-04 7.832134e-08 ; 2.724119e-01 1.172486e-01 1.994913e-03 4.177286e-04 0.000485 0.002166 True native_MD 7 183 239 @@ -38849,8 +38849,8 @@ CE2_AB42_19 O2_AB42_42 1 3.471331e-04 3.690738e-07 ; 3.194745e-01 8.162418 N_AB42_20 CA_AB42_28 1 3.110666e-03 1.671675e-05 ; 4.185202e-01 1.447089e-01 4.537496e-03 8.077668e-05 0.000485 0.001339 True native_MD 7 183 251 N_AB42_20 CB_AB42_28 1 1.487609e-03 5.262038e-06 ; 3.903410e-01 1.051389e-01 2.654991e-03 1.141847e-04 0.000485 0.000060 True native_MD 7 183 252 N_AB42_20 CG_AB42_28 1 1.030601e-03 3.343931e-06 ; 3.847640e-01 7.940794e-02 1.678581e-03 1.559207e-04 0.000485 0.000060 True native_MD 7 183 253 - N_AB42_20 CD_AB42_28 1 0.000000e+00 3.668692e-06 ; 3.139576e-01 -3.668692e-06 2.454860e-03 4.447628e-04 0.000485 0.000060 True native_MD 7 183 254 - N_AB42_20 CE_AB42_28 1 0.000000e+00 3.671362e-06 ; 3.139766e-01 -3.671362e-06 2.137007e-03 8.530195e-04 0.000485 0.000060 True native_MD 7 183 255 + N_AB42_20 CD_AB42_28 1 0.000000e+00 3.668644e-06 ; 3.139572e-01 -3.668644e-06 2.454860e-03 4.447628e-04 0.000485 0.000060 True native_MD 7 183 254 + N_AB42_20 CE_AB42_28 1 0.000000e+00 3.671313e-06 ; 3.139762e-01 -3.671313e-06 2.137007e-03 8.530195e-04 0.000485 0.000060 True native_MD 7 183 255 N_AB42_20 NZ_AB42_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 3.744865e-04 3.244572e-04 0.000485 0.000060 True native_MD 7 183 256 N_AB42_20 C_AB42_28 1 8.380178e-04 1.533297e-06 ; 3.497267e-01 1.145039e-01 1.837605e-03 1.356873e-04 0.000485 0.002166 True native_MD 7 183 257 N_AB42_20 O_AB42_28 1 1.654052e-04 4.616965e-08 ; 2.556434e-01 1.481432e-01 5.028655e-03 8.367206e-04 0.000485 0.002166 True native_MD 7 183 258 @@ -38887,8 +38887,8 @@ CE2_AB42_19 O2_AB42_42 1 3.471331e-04 3.690738e-07 ; 3.194745e-01 8.162418 N_AB42_20 CA_AB42_34 1 3.669067e-03 2.333582e-05 ; 4.304386e-01 1.442210e-01 4.471726e-03 1.405291e-05 0.000485 0.001339 True native_MD 7 183 295 N_AB42_20 CB_AB42_34 1 1.591934e-03 5.415731e-06 ; 3.878127e-01 1.169858e-01 1.979289e-03 4.960595e-05 0.000485 0.000060 True native_MD 7 183 296 N_AB42_20 CG_AB42_34 1 1.314215e-03 5.872283e-06 ; 4.058418e-01 7.353023e-02 4.391815e-03 4.864030e-04 0.000485 0.000060 True native_MD 7 183 297 - N_AB42_20 CD1_AB42_34 1 0.000000e+00 2.731586e-06 ; 3.063347e-01 -2.731586e-06 4.772105e-03 6.379392e-04 0.000485 0.000060 True native_MD 7 183 298 - N_AB42_20 CD2_AB42_34 1 0.000000e+00 2.733528e-06 ; 3.063529e-01 -2.733528e-06 4.218550e-03 7.923250e-04 0.000485 0.000060 True native_MD 7 183 299 + N_AB42_20 CD1_AB42_34 1 0.000000e+00 2.731561e-06 ; 3.063345e-01 -2.731561e-06 4.772105e-03 6.379392e-04 0.000485 0.000060 True native_MD 7 183 298 + N_AB42_20 CD2_AB42_34 1 0.000000e+00 2.733502e-06 ; 3.063526e-01 -2.733502e-06 4.218550e-03 7.923250e-04 0.000485 0.000060 True native_MD 7 183 299 N_AB42_20 C_AB42_34 1 1.025821e-03 2.214507e-06 ; 3.595017e-01 1.187971e-01 2.089535e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 183 300 N_AB42_20 O_AB42_34 1 1.417218e-04 3.779276e-08 ; 2.537048e-01 1.328631e-01 3.183182e-03 1.200351e-05 0.000485 0.002166 True native_MD 7 183 301 N_AB42_20 N_AB42_35 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 8.977949e-05 0.000000e+00 0.000485 0.000060 True native_MD 7 183 302 @@ -38933,14 +38933,14 @@ CE2_AB42_19 O2_AB42_42 1 3.471331e-04 3.690738e-07 ; 3.194745e-01 8.162418 N_AB42_20 CB_AB42_41 1 3.549769e-03 2.479801e-05 ; 4.372228e-01 1.270350e-01 4.442063e-03 9.920961e-05 0.000485 0.000060 True native_MD 7 183 348 N_AB42_20 CG1_AB42_41 1 9.288750e-04 1.942549e-06 ; 3.576041e-01 1.110408e-01 4.027902e-03 1.451840e-04 0.000485 0.000060 True native_MD 7 183 349 N_AB42_20 CG2_AB42_41 1 1.027570e-03 2.994570e-06 ; 3.779379e-01 8.815126e-02 2.627495e-03 1.878752e-04 0.000485 0.000060 True native_MD 7 183 350 - N_AB42_20 CD_AB42_41 1 0.000000e+00 2.733057e-06 ; 3.063485e-01 -2.733057e-06 4.103436e-03 5.053485e-04 0.000485 0.000060 True native_MD 7 183 351 + N_AB42_20 CD_AB42_41 1 0.000000e+00 2.733031e-06 ; 3.063482e-01 -2.733031e-06 4.103436e-03 5.053485e-04 0.000485 0.000060 True native_MD 7 183 351 N_AB42_20 C_AB42_41 1 1.024945e-03 2.079422e-06 ; 3.558009e-01 1.262985e-01 2.615431e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 183 352 N_AB42_20 O_AB42_41 1 1.167762e-04 2.629575e-08 ; 2.466542e-01 1.296471e-01 2.891106e-03 2.635102e-05 0.000485 0.002166 True native_MD 7 183 353 N_AB42_20 N_AB42_42 1 7.929128e-04 1.561716e-06 ; 3.540485e-01 1.006442e-01 1.213733e-03 3.153321e-06 0.000485 0.000060 True native_MD 7 183 354 N_AB42_20 CA_AB42_42 1 2.467882e-03 1.072994e-05 ; 4.039976e-01 1.419030e-01 4.172049e-03 2.340244e-04 0.000485 0.001339 True native_MD 7 183 356 N_AB42_20 CB_AB42_42 1 9.640265e-04 2.134080e-06 ; 3.610109e-01 1.088698e-01 3.466570e-03 1.333386e-04 0.000485 0.000060 True native_MD 7 183 357 H_AB42_20 H_AB42_20 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 184 - H_AB42_20 O_AB42_20 1 0.000000e+00 1.647392e-08 ; 2.000912e-01 -1.647392e-08 3.218139e-01 3.835378e-01 0.000485 0.000060 True native_MD 4 184 194 + H_AB42_20 O_AB42_20 1 0.000000e+00 1.647418e-08 ; 2.000915e-01 -1.647418e-08 3.218139e-01 3.835378e-01 0.000485 0.000060 True native_MD 4 184 194 H_AB42_20 H_AB42_21 1 0.000000e+00 1.167954e-08 ; 1.944377e-01 -1.167954e-08 4.705485e-01 4.438434e-01 0.000485 0.000060 True native_MD 5 184 196 H_AB42_20 O_AB42_21 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 200 H_AB42_20 H_AB42_22 1 0.000000e+00 1.213978e-08 ; 1.950649e-01 -1.213978e-08 2.041763e-03 1.368970e-02 0.000485 0.000060 True native_MD 7 184 202 @@ -38992,14 +38992,14 @@ CE2_AB42_19 O2_AB42_42 1 3.471331e-04 3.690738e-07 ; 3.194745e-01 8.162418 H_AB42_20 H_AB42_42 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 355 H_AB42_20 O1_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 359 H_AB42_20 O2_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 360 - CA_AB42_20 CE1_AB42_20 1 0.000000e+00 1.305179e-05 ; 3.489802e-01 -1.305179e-05 1.000000e+00 9.999945e-01 0.000485 0.000060 True native_MD 4 185 190 - CA_AB42_20 CE2_AB42_20 1 0.000000e+00 1.305179e-05 ; 3.489802e-01 -1.305179e-05 1.000000e+00 9.999945e-01 0.000485 0.000060 True native_MD 4 185 191 - CA_AB42_20 CZ_AB42_20 1 0.000000e+00 1.304659e-05 ; 3.489687e-01 -1.304659e-05 1.000000e+00 9.995958e-01 0.000485 0.000060 True native_MD 5 185 192 - CA_AB42_20 CB_AB42_21 1 0.000000e+00 2.373808e-05 ; 3.668164e-01 -2.373808e-05 9.999930e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 185 198 - CA_AB42_20 C_AB42_21 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 185 199 - CA_AB42_20 O_AB42_21 1 0.000000e+00 2.551256e-06 ; 3.045962e-01 -2.551256e-06 6.574089e-01 2.716521e-01 0.000485 0.000060 True native_MD 5 185 200 - CA_AB42_20 N_AB42_22 1 0.000000e+00 9.901600e-06 ; 3.410388e-01 -9.901600e-06 4.735877e-01 7.807305e-01 0.000485 0.000060 True native_MD 5 185 201 - CA_AB42_20 CA_AB42_22 1 0.000000e+00 8.282784e-05 ; 4.070768e-01 -8.282784e-05 4.967827e-01 7.602546e-01 0.000485 0.000060 True native_MD 6 185 203 + CA_AB42_20 CE1_AB42_20 1 0.000000e+00 1.305173e-05 ; 3.489801e-01 -1.305173e-05 1.000000e+00 9.999945e-01 0.000485 0.000060 True native_MD 4 185 190 + CA_AB42_20 CE2_AB42_20 1 0.000000e+00 1.305173e-05 ; 3.489801e-01 -1.305173e-05 1.000000e+00 9.999945e-01 0.000485 0.000060 True native_MD 4 185 191 + CA_AB42_20 CZ_AB42_20 1 0.000000e+00 1.304652e-05 ; 3.489685e-01 -1.304652e-05 1.000000e+00 9.995958e-01 0.000485 0.000060 True native_MD 5 185 192 + CA_AB42_20 CB_AB42_21 1 0.000000e+00 2.373806e-05 ; 3.668164e-01 -2.373806e-05 9.999930e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 185 198 + CA_AB42_20 C_AB42_21 1 0.000000e+00 1.305180e-05 ; 3.489803e-01 -1.305180e-05 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 185 199 + CA_AB42_20 O_AB42_21 1 0.000000e+00 2.551276e-06 ; 3.045964e-01 -2.551276e-06 6.574089e-01 2.716521e-01 0.000485 0.000060 True native_MD 5 185 200 + CA_AB42_20 N_AB42_22 1 0.000000e+00 9.901584e-06 ; 3.410387e-01 -9.901584e-06 4.735877e-01 7.807305e-01 0.000485 0.000060 True native_MD 5 185 201 + CA_AB42_20 CA_AB42_22 1 0.000000e+00 8.282844e-05 ; 4.070771e-01 -8.282844e-05 4.967827e-01 7.602546e-01 0.000485 0.000060 True native_MD 6 185 203 CA_AB42_20 CB_AB42_22 1 4.653530e-03 7.123771e-05 ; 4.982966e-01 7.599676e-02 1.925577e-01 3.386627e-01 0.000485 0.001021 True native_MD 7 185 204 CA_AB42_20 CG_AB42_22 1 2.270575e-03 1.789183e-05 ; 4.460872e-01 7.203724e-02 1.208479e-01 2.392799e-01 0.000485 0.001021 True native_MD 7 185 205 CA_AB42_20 CD_AB42_22 1 2.004660e-03 1.121239e-05 ; 4.213176e-01 8.960312e-02 2.315347e-02 3.553954e-02 0.000485 0.001339 True native_MD 7 185 206 @@ -39007,14 +39007,14 @@ CE2_AB42_19 O2_AB42_42 1 3.471331e-04 3.690738e-07 ; 3.194745e-01 8.162418 CA_AB42_20 OE2_AB42_22 1 3.902269e-04 4.077650e-07 ; 3.185533e-01 9.336079e-02 6.600791e-03 9.054541e-03 0.000485 0.001339 True native_MD 7 185 208 CA_AB42_20 C_AB42_22 1 3.649128e-03 4.064905e-05 ; 4.725817e-01 8.189696e-02 7.612247e-02 1.471509e-01 0.000485 0.001339 True native_MD 7 185 209 CA_AB42_20 O_AB42_22 1 1.297580e-03 4.542920e-06 ; 3.896729e-01 9.265592e-02 8.157059e-02 1.142781e-01 0.000485 0.001339 True native_MD 7 185 210 - CA_AB42_20 N_AB42_23 1 0.000000e+00 8.709737e-06 ; 3.374132e-01 -8.709737e-06 5.151830e-02 2.013193e-01 0.000485 0.001339 True native_MD 7 185 211 - CA_AB42_20 CA_AB42_23 1 0.000000e+00 7.756644e-05 ; 4.048565e-01 -7.756644e-05 8.469802e-02 2.679115e-01 0.000485 0.000883 True native_MD 7 185 213 - CA_AB42_20 CB_AB42_23 1 0.000000e+00 3.618833e-05 ; 3.799348e-01 -3.618833e-05 8.124110e-02 2.187505e-01 0.000485 0.001021 True native_MD 7 185 214 + CA_AB42_20 N_AB42_23 1 0.000000e+00 8.709723e-06 ; 3.374132e-01 -8.709723e-06 5.151830e-02 2.013193e-01 0.000485 0.001339 True native_MD 7 185 211 + CA_AB42_20 CA_AB42_23 1 0.000000e+00 7.756701e-05 ; 4.048568e-01 -7.756701e-05 8.469802e-02 2.679115e-01 0.000485 0.000883 True native_MD 7 185 213 + CA_AB42_20 CB_AB42_23 1 0.000000e+00 3.618818e-05 ; 3.799346e-01 -3.618818e-05 8.124110e-02 2.187505e-01 0.000485 0.001021 True native_MD 7 185 214 CA_AB42_20 CG_AB42_23 1 1.332422e-03 5.880537e-06 ; 4.050070e-01 7.547558e-02 4.390656e-02 1.028575e-01 0.000485 0.001339 True native_MD 7 185 215 CA_AB42_20 OD1_AB42_23 1 4.213534e-04 6.264627e-07 ; 3.378377e-01 7.084967e-02 1.850092e-02 4.977752e-02 0.000485 0.001339 True native_MD 7 185 216 CA_AB42_20 OD2_AB42_23 1 4.213534e-04 6.264627e-07 ; 3.378377e-01 7.084967e-02 1.850092e-02 4.977752e-02 0.000485 0.001339 True native_MD 7 185 217 - CA_AB42_20 C_AB42_23 1 0.000000e+00 1.341150e-05 ; 3.497718e-01 -1.341150e-05 1.562659e-02 4.318063e-02 0.000485 0.001339 True native_MD 7 185 218 - CA_AB42_20 O_AB42_23 1 0.000000e+00 4.305332e-06 ; 3.181722e-01 -4.305332e-06 1.259920e-02 4.915579e-02 0.000485 0.001339 True native_MD 7 185 219 + CA_AB42_20 C_AB42_23 1 0.000000e+00 1.341143e-05 ; 3.497716e-01 -1.341143e-05 1.562659e-02 4.318063e-02 0.000485 0.001339 True native_MD 7 185 218 + CA_AB42_20 O_AB42_23 1 0.000000e+00 4.305366e-06 ; 3.181724e-01 -4.305366e-06 1.259920e-02 4.915579e-02 0.000485 0.001339 True native_MD 7 185 219 CA_AB42_20 N_AB42_24 1 2.605565e-03 1.799755e-05 ; 4.364005e-01 9.430409e-02 1.011620e-02 1.349030e-02 0.000485 0.001339 True native_MD 7 185 220 CA_AB42_20 CA_AB42_24 1 4.923219e-03 8.518265e-05 ; 5.085695e-01 7.113562e-02 2.209932e-02 3.886373e-02 0.000485 0.000883 True native_MD 7 185 222 CA_AB42_20 CB_AB42_24 1 4.123290e-03 5.527617e-05 ; 4.873964e-01 7.689353e-02 3.182026e-02 4.710160e-02 0.000485 0.000883 True native_MD 7 185 223 @@ -39137,55 +39137,55 @@ CE2_AB42_19 O2_AB42_42 1 3.471331e-04 3.690738e-07 ; 3.194745e-01 8.162418 CA_AB42_20 C_AB42_42 1 2.150491e-03 1.177169e-05 ; 4.198075e-01 9.821468e-02 1.128618e-03 6.660145e-04 0.000485 0.001339 True native_MD 7 185 358 CA_AB42_20 O1_AB42_42 1 4.956797e-04 8.692311e-07 ; 3.472607e-01 7.066543e-02 4.948785e-04 5.988609e-04 0.000485 0.001339 True native_MD 7 185 359 CA_AB42_20 O2_AB42_42 1 4.956797e-04 8.692311e-07 ; 3.472607e-01 7.066543e-02 4.948785e-04 5.988609e-04 0.000485 0.001339 True native_MD 7 185 360 - CB_AB42_20 CZ_AB42_20 1 0.000000e+00 6.334000e-06 ; 3.285752e-01 -6.334000e-06 9.999938e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 186 192 - CB_AB42_20 C_AB42_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 193 + CB_AB42_20 CZ_AB42_20 1 0.000000e+00 6.333894e-06 ; 3.285748e-01 -6.333894e-06 9.999938e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 186 192 + CB_AB42_20 C_AB42_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 193 CB_AB42_20 O_AB42_20 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 194 - CB_AB42_20 N_AB42_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 195 - CB_AB42_20 CA_AB42_21 1 0.000000e+00 3.181365e-05 ; 3.758773e-01 -3.181365e-05 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 186 197 - CB_AB42_20 CB_AB42_21 1 0.000000e+00 1.286429e-05 ; 3.485597e-01 -1.286429e-05 3.492299e-01 4.659398e-01 0.000485 0.000060 True native_MD 5 186 198 - CB_AB42_20 C_AB42_21 1 0.000000e+00 6.478375e-06 ; 3.291929e-01 -6.478375e-06 3.967907e-01 4.195906e-01 0.000485 0.000060 True native_MD 5 186 199 - CB_AB42_20 O_AB42_21 1 0.000000e+00 1.857378e-06 ; 2.966448e-01 -1.857378e-06 1.508121e-01 7.228774e-02 0.000485 0.000060 True native_MD 6 186 200 - CB_AB42_20 N_AB42_22 1 0.000000e+00 4.286137e-06 ; 3.180537e-01 -4.286137e-06 1.475693e-01 3.135220e-01 0.000485 0.000060 True native_MD 6 186 201 + CB_AB42_20 N_AB42_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 195 + CB_AB42_20 CA_AB42_21 1 0.000000e+00 3.181352e-05 ; 3.758772e-01 -3.181352e-05 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 186 197 + CB_AB42_20 CB_AB42_21 1 0.000000e+00 1.286413e-05 ; 3.485593e-01 -1.286413e-05 3.492299e-01 4.659398e-01 0.000485 0.000060 True native_MD 5 186 198 + CB_AB42_20 C_AB42_21 1 0.000000e+00 6.478266e-06 ; 3.291925e-01 -6.478266e-06 3.967907e-01 4.195906e-01 0.000485 0.000060 True native_MD 5 186 199 + CB_AB42_20 O_AB42_21 1 0.000000e+00 1.857371e-06 ; 2.966447e-01 -1.857371e-06 1.508121e-01 7.228774e-02 0.000485 0.000060 True native_MD 6 186 200 + CB_AB42_20 N_AB42_22 1 0.000000e+00 4.286081e-06 ; 3.180534e-01 -4.286081e-06 1.475693e-01 3.135220e-01 0.000485 0.000060 True native_MD 6 186 201 CB_AB42_20 CA_AB42_22 1 2.874453e-03 2.839092e-05 ; 4.632023e-01 7.275637e-02 1.661582e-01 3.219901e-01 0.000485 0.001021 True native_MD 7 186 203 CB_AB42_20 CB_AB42_22 1 2.030294e-03 1.365026e-05 ; 4.344405e-01 7.549480e-02 9.030540e-02 1.879665e-01 0.000485 0.001190 True native_MD 7 186 204 CB_AB42_20 CG_AB42_22 1 7.429065e-04 1.823899e-06 ; 3.672917e-01 7.564974e-02 7.028508e-02 1.456184e-01 0.000485 0.001190 True native_MD 7 186 205 - CB_AB42_20 CD_AB42_22 1 0.000000e+00 6.469984e-06 ; 3.291574e-01 -6.469984e-06 3.730387e-02 5.877903e-02 0.000485 0.000060 True native_MD 7 186 206 - CB_AB42_20 OE1_AB42_22 1 0.000000e+00 1.649128e-06 ; 2.937196e-01 -1.649128e-06 1.274745e-02 2.345774e-02 0.000485 0.000060 True native_MD 7 186 207 - CB_AB42_20 OE2_AB42_22 1 0.000000e+00 1.649128e-06 ; 2.937196e-01 -1.649128e-06 1.274745e-02 2.345774e-02 0.000485 0.000060 True native_MD 7 186 208 - CB_AB42_20 C_AB42_22 1 0.000000e+00 6.597733e-06 ; 3.296941e-01 -6.597733e-06 6.226924e-02 1.039133e-01 0.000485 0.000060 True native_MD 7 186 209 + CB_AB42_20 CD_AB42_22 1 0.000000e+00 6.469875e-06 ; 3.291569e-01 -6.469875e-06 3.730387e-02 5.877903e-02 0.000485 0.000060 True native_MD 7 186 206 + CB_AB42_20 OE1_AB42_22 1 0.000000e+00 1.649122e-06 ; 2.937195e-01 -1.649122e-06 1.274745e-02 2.345774e-02 0.000485 0.000060 True native_MD 7 186 207 + CB_AB42_20 OE2_AB42_22 1 0.000000e+00 1.649122e-06 ; 2.937195e-01 -1.649122e-06 1.274745e-02 2.345774e-02 0.000485 0.000060 True native_MD 7 186 208 + CB_AB42_20 C_AB42_22 1 0.000000e+00 6.597622e-06 ; 3.296937e-01 -6.597622e-06 6.226924e-02 1.039133e-01 0.000485 0.000060 True native_MD 7 186 209 CB_AB42_20 O_AB42_22 1 3.475188e-04 3.262049e-07 ; 3.129095e-01 9.255631e-02 6.275015e-02 7.840752e-02 0.000485 0.001191 True native_MD 7 186 210 - CB_AB42_20 N_AB42_23 1 0.000000e+00 3.913894e-06 ; 3.156548e-01 -3.913894e-06 3.913754e-02 1.038293e-01 0.000485 0.000060 True native_MD 7 186 211 + CB_AB42_20 N_AB42_23 1 0.000000e+00 3.913842e-06 ; 3.156545e-01 -3.913842e-06 3.913754e-02 1.038293e-01 0.000485 0.000060 True native_MD 7 186 211 CB_AB42_20 CA_AB42_23 1 2.099691e-03 1.495896e-05 ; 4.386563e-01 7.367996e-02 8.916718e-02 1.680824e-01 0.000485 0.001021 True native_MD 7 186 213 CB_AB42_20 CB_AB42_23 1 7.390769e-04 1.766163e-06 ; 3.656427e-01 7.731941e-02 7.870063e-02 1.551069e-01 0.000485 0.001190 True native_MD 7 186 214 - CB_AB42_20 CG_AB42_23 1 0.000000e+00 6.539930e-06 ; 3.294525e-01 -6.539930e-06 5.867052e-02 9.118867e-02 0.000485 0.000060 True native_MD 7 186 215 - CB_AB42_20 OD1_AB42_23 1 0.000000e+00 1.666629e-06 ; 2.939781e-01 -1.666629e-06 2.549842e-02 4.693510e-02 0.000485 0.000060 True native_MD 7 186 216 - CB_AB42_20 OD2_AB42_23 1 0.000000e+00 1.666629e-06 ; 2.939781e-01 -1.666629e-06 2.549842e-02 4.693510e-02 0.000485 0.000060 True native_MD 7 186 217 - CB_AB42_20 C_AB42_23 1 0.000000e+00 6.452888e-06 ; 3.290848e-01 -6.452888e-06 1.714870e-02 3.592471e-02 0.000485 0.000060 True native_MD 7 186 218 + CB_AB42_20 CG_AB42_23 1 0.000000e+00 6.539820e-06 ; 3.294520e-01 -6.539820e-06 5.867052e-02 9.118867e-02 0.000485 0.000060 True native_MD 7 186 215 + CB_AB42_20 OD1_AB42_23 1 0.000000e+00 1.666624e-06 ; 2.939780e-01 -1.666624e-06 2.549842e-02 4.693510e-02 0.000485 0.000060 True native_MD 7 186 216 + CB_AB42_20 OD2_AB42_23 1 0.000000e+00 1.666624e-06 ; 2.939780e-01 -1.666624e-06 2.549842e-02 4.693510e-02 0.000485 0.000060 True native_MD 7 186 217 + CB_AB42_20 C_AB42_23 1 0.000000e+00 6.452779e-06 ; 3.290844e-01 -6.452779e-06 1.714870e-02 3.592471e-02 0.000485 0.000060 True native_MD 7 186 218 CB_AB42_20 O_AB42_23 1 2.483365e-04 2.184826e-07 ; 3.095490e-01 7.056741e-02 1.496315e-02 3.610343e-02 0.000485 0.001191 True native_MD 7 186 219 - CB_AB42_20 N_AB42_24 1 0.000000e+00 3.689342e-06 ; 3.141044e-01 -3.689342e-06 9.161641e-03 1.276876e-02 0.000485 0.000060 True native_MD 7 186 220 + CB_AB42_20 N_AB42_24 1 0.000000e+00 3.689293e-06 ; 3.141041e-01 -3.689293e-06 9.161641e-03 1.276876e-02 0.000485 0.000060 True native_MD 7 186 220 CB_AB42_20 CA_AB42_24 1 2.374812e-03 1.568091e-05 ; 4.331354e-01 8.991404e-02 3.065725e-02 3.555179e-02 0.000485 0.001021 True native_MD 7 186 222 CB_AB42_20 CB_AB42_24 1 2.023508e-03 1.097165e-05 ; 4.191420e-01 9.329917e-02 3.556630e-02 3.727104e-02 0.000485 0.001021 True native_MD 7 186 223 CB_AB42_20 CG1_AB42_24 1 1.136428e-03 2.702000e-06 ; 3.653344e-01 1.194919e-01 2.419612e-02 2.644787e-02 0.000485 0.002332 True native_MD 7 186 224 CB_AB42_20 CG2_AB42_24 1 9.903184e-04 2.069498e-06 ; 3.575595e-01 1.184745e-01 3.273566e-02 3.688840e-02 0.000485 0.002332 True native_MD 7 186 225 - CB_AB42_20 C_AB42_24 1 0.000000e+00 6.331028e-06 ; 3.285624e-01 -6.331028e-06 7.148030e-03 6.684938e-03 0.000485 0.000060 True native_MD 7 186 226 + CB_AB42_20 C_AB42_24 1 0.000000e+00 6.330922e-06 ; 3.285619e-01 -6.330922e-06 7.148030e-03 6.684938e-03 0.000485 0.000060 True native_MD 7 186 226 CB_AB42_20 O_AB42_24 1 3.937765e-04 5.162966e-07 ; 3.308326e-01 7.508276e-02 3.077088e-03 6.486058e-03 0.000485 0.001191 True native_MD 7 186 227 - CB_AB42_20 N_AB42_25 1 0.000000e+00 3.665227e-06 ; 3.139328e-01 -3.665227e-06 7.928485e-03 4.975636e-03 0.000485 0.000060 True native_MD 7 186 228 + CB_AB42_20 N_AB42_25 1 0.000000e+00 3.665179e-06 ; 3.139325e-01 -3.665179e-06 7.928485e-03 4.975636e-03 0.000485 0.000060 True native_MD 7 186 228 CB_AB42_20 CA_AB42_25 1 9.574486e-04 2.267144e-06 ; 3.650849e-01 1.010862e-01 1.558707e-02 1.508441e-02 0.000485 0.001190 True native_MD 7 186 230 - CB_AB42_20 C_AB42_25 1 0.000000e+00 6.312496e-06 ; 3.284821e-01 -6.312496e-06 1.010060e-02 6.711739e-03 0.000485 0.000060 True native_MD 7 186 231 + CB_AB42_20 C_AB42_25 1 0.000000e+00 6.312390e-06 ; 3.284817e-01 -6.312390e-06 1.010060e-02 6.711739e-03 0.000485 0.000060 True native_MD 7 186 231 CB_AB42_20 O_AB42_25 1 4.641873e-04 5.633646e-07 ; 3.265999e-01 9.561740e-02 4.651387e-03 5.303243e-03 0.000485 0.001191 True native_MD 7 186 232 - CB_AB42_20 N_AB42_26 1 0.000000e+00 3.657261e-06 ; 3.138759e-01 -3.657261e-06 7.668768e-03 2.549104e-03 0.000485 0.000060 True native_MD 7 186 233 + CB_AB42_20 N_AB42_26 1 0.000000e+00 3.657213e-06 ; 3.138756e-01 -3.657213e-06 7.668768e-03 2.549104e-03 0.000485 0.000060 True native_MD 7 186 233 CB_AB42_20 CA_AB42_26 1 2.236375e-03 1.139312e-05 ; 4.148105e-01 1.097454e-01 2.767886e-02 1.773105e-02 0.000485 0.001021 True native_MD 7 186 235 CB_AB42_20 CB_AB42_26 1 1.063138e-03 2.575643e-06 ; 3.664792e-01 1.097068e-01 3.226385e-02 2.412354e-02 0.000485 0.001190 True native_MD 7 186 236 - CB_AB42_20 OG_AB42_26 1 0.000000e+00 2.761300e-06 ; 3.066110e-01 -2.761300e-06 2.370330e-02 1.572571e-02 0.000485 0.000060 True native_MD 7 186 237 - CB_AB42_20 C_AB42_26 1 0.000000e+00 6.305486e-06 ; 3.284517e-01 -6.305486e-06 6.968474e-03 2.472826e-03 0.000485 0.000060 True native_MD 7 186 238 + CB_AB42_20 OG_AB42_26 1 0.000000e+00 2.761259e-06 ; 3.066107e-01 -2.761259e-06 2.370330e-02 1.572571e-02 0.000485 0.000060 True native_MD 7 186 237 + CB_AB42_20 C_AB42_26 1 0.000000e+00 6.305380e-06 ; 3.284513e-01 -6.305380e-06 6.968474e-03 2.472826e-03 0.000485 0.000060 True native_MD 7 186 238 CB_AB42_20 O_AB42_26 1 5.708445e-04 6.177897e-07 ; 3.204206e-01 1.318667e-01 6.260891e-03 2.412547e-03 0.000485 0.001191 True native_MD 7 186 239 - CB_AB42_20 N_AB42_27 1 0.000000e+00 3.665968e-06 ; 3.139381e-01 -3.665968e-06 3.402505e-03 6.511781e-04 0.000485 0.000060 True native_MD 7 186 240 + CB_AB42_20 N_AB42_27 1 0.000000e+00 3.665919e-06 ; 3.139378e-01 -3.665919e-06 3.402505e-03 6.511781e-04 0.000485 0.000060 True native_MD 7 186 240 CB_AB42_20 CA_AB42_27 1 2.158162e-03 8.261712e-06 ; 3.955163e-01 1.409412e-01 2.135482e-02 5.378259e-03 0.000485 0.001021 True native_MD 7 186 242 CB_AB42_20 CB_AB42_27 1 1.625352e-03 4.444580e-06 ; 3.739503e-01 1.485951e-01 2.936335e-02 6.856662e-03 0.000485 0.001190 True native_MD 7 186 243 - CB_AB42_20 CG_AB42_27 1 0.000000e+00 6.179570e-06 ; 3.279001e-01 -6.179570e-06 3.112145e-02 6.746374e-03 0.000485 0.000060 True native_MD 7 186 244 + CB_AB42_20 CG_AB42_27 1 0.000000e+00 6.179467e-06 ; 3.278996e-01 -6.179467e-06 3.112145e-02 6.746374e-03 0.000485 0.000060 True native_MD 7 186 244 CB_AB42_20 OD1_AB42_27 1 6.391123e-04 6.905878e-07 ; 3.203369e-01 1.478684e-01 2.390648e-02 5.706706e-03 0.000485 0.001191 True native_MD 7 186 245 - CB_AB42_20 ND2_AB42_27 1 0.000000e+00 6.175091e-06 ; 3.278803e-01 -6.175091e-06 3.421190e-02 9.583098e-03 0.000485 0.000060 True native_MD 7 186 246 - CB_AB42_20 C_AB42_27 1 0.000000e+00 6.291551e-06 ; 3.283912e-01 -6.291551e-06 8.011934e-03 1.316250e-03 0.000485 0.000060 True native_MD 7 186 247 + CB_AB42_20 ND2_AB42_27 1 0.000000e+00 6.175056e-06 ; 3.278801e-01 -6.175056e-06 3.421190e-02 9.583098e-03 0.000485 0.000060 True native_MD 7 186 246 + CB_AB42_20 C_AB42_27 1 0.000000e+00 6.291445e-06 ; 3.283907e-01 -6.291445e-06 8.011934e-03 1.316250e-03 0.000485 0.000060 True native_MD 7 186 247 CB_AB42_20 O_AB42_27 1 8.157295e-04 1.027857e-06 ; 3.286481e-01 1.618451e-01 7.781747e-03 1.222635e-03 0.000485 0.001191 True native_MD 7 186 248 CB_AB42_20 N_AB42_28 1 8.373369e-04 2.181961e-06 ; 3.709578e-01 8.033292e-02 5.148403e-03 4.651708e-04 0.000485 0.000060 True native_MD 7 186 249 CB_AB42_20 CA_AB42_28 1 2.662936e-03 1.160008e-05 ; 4.041259e-01 1.528272e-01 2.039000e-02 3.598194e-03 0.000485 0.001021 True native_MD 7 186 251 @@ -39193,12 +39193,12 @@ CE2_AB42_19 O2_AB42_42 1 3.471331e-04 3.690738e-07 ; 3.194745e-01 8.162418 CB_AB42_20 CG_AB42_28 1 2.016992e-03 6.612991e-06 ; 3.854331e-01 1.537978e-01 1.713044e-02 3.423395e-03 0.000485 0.001190 True native_MD 7 186 253 CB_AB42_20 CD_AB42_28 1 1.887233e-03 6.318359e-06 ; 3.867792e-01 1.409245e-01 1.852977e-02 5.443375e-03 0.000485 0.001190 True native_MD 7 186 254 CB_AB42_20 CE_AB42_28 1 1.874686e-03 6.711356e-06 ; 3.911232e-01 1.309142e-01 1.694323e-02 6.715766e-03 0.000485 0.001190 True native_MD 7 186 255 - CB_AB42_20 NZ_AB42_28 1 0.000000e+00 3.676007e-06 ; 3.140097e-01 -3.676007e-06 4.830727e-03 4.810370e-03 0.000485 0.000060 True native_MD 7 186 256 - CB_AB42_20 C_AB42_28 1 0.000000e+00 6.286411e-06 ; 3.283688e-01 -6.286411e-06 9.633793e-03 2.126647e-03 0.000485 0.000060 True native_MD 7 186 257 + CB_AB42_20 NZ_AB42_28 1 0.000000e+00 3.675958e-06 ; 3.140093e-01 -3.675958e-06 4.830727e-03 4.810370e-03 0.000485 0.000060 True native_MD 7 186 256 + CB_AB42_20 C_AB42_28 1 0.000000e+00 6.286306e-06 ; 3.283684e-01 -6.286306e-06 9.633793e-03 2.126647e-03 0.000485 0.000060 True native_MD 7 186 257 CB_AB42_20 O_AB42_28 1 5.732034e-04 5.668414e-07 ; 3.156401e-01 1.449092e-01 8.556375e-03 2.231617e-03 0.000485 0.001191 True native_MD 7 186 258 - CB_AB42_20 N_AB42_29 1 0.000000e+00 3.649285e-06 ; 3.138188e-01 -3.649285e-06 8.398894e-03 1.109506e-03 0.000485 0.000060 True native_MD 7 186 259 + CB_AB42_20 N_AB42_29 1 0.000000e+00 3.649237e-06 ; 3.138185e-01 -3.649237e-06 8.398894e-03 1.109506e-03 0.000485 0.000060 True native_MD 7 186 259 CB_AB42_20 CA_AB42_29 1 1.594086e-03 4.399489e-06 ; 3.745258e-01 1.443980e-01 2.130438e-02 5.640575e-03 0.000485 0.001190 True native_MD 7 186 261 - CB_AB42_20 C_AB42_29 1 0.000000e+00 6.280728e-06 ; 3.283441e-01 -6.280728e-06 1.122411e-02 2.819668e-03 0.000485 0.000060 True native_MD 7 186 262 + CB_AB42_20 C_AB42_29 1 0.000000e+00 6.280622e-06 ; 3.283436e-01 -6.280622e-06 1.122411e-02 2.819668e-03 0.000485 0.000060 True native_MD 7 186 262 CB_AB42_20 O_AB42_29 1 7.121941e-04 9.256994e-07 ; 3.303533e-01 1.369830e-01 7.889959e-03 2.608666e-03 0.000485 0.001191 True native_MD 7 186 263 CB_AB42_20 N_AB42_30 1 6.556868e-04 1.346860e-06 ; 3.565368e-01 7.980139e-02 8.053825e-03 7.393501e-04 0.000485 0.000060 True native_MD 7 186 264 CB_AB42_20 CA_AB42_30 1 3.107815e-03 1.461325e-05 ; 4.093065e-01 1.652355e-01 4.302288e-02 5.237208e-03 0.000485 0.001021 True native_MD 7 186 266 @@ -39219,11 +39219,11 @@ CE2_AB42_19 O2_AB42_42 1 3.471331e-04 3.690738e-07 ; 3.194745e-01 8.162418 CB_AB42_20 CG1_AB42_32 1 3.253962e-03 1.148865e-05 ; 3.902199e-01 2.304073e-01 1.185385e-01 2.392656e-03 0.000485 0.001190 True native_MD 7 186 283 CB_AB42_20 CG2_AB42_32 1 2.260101e-03 5.329326e-06 ; 3.648302e-01 2.396203e-01 9.700824e-02 2.911959e-03 0.000485 0.002332 True native_MD 7 186 284 CB_AB42_20 CD_AB42_32 1 1.887241e-03 3.609434e-06 ; 3.523184e-01 2.466924e-01 1.393150e-01 3.384241e-03 0.000485 0.002332 True native_MD 7 186 285 - CB_AB42_20 C_AB42_32 1 0.000000e+00 6.296711e-06 ; 3.284136e-01 -6.296711e-06 6.809518e-03 9.284821e-04 0.000485 0.000060 True native_MD 7 186 286 + CB_AB42_20 C_AB42_32 1 0.000000e+00 6.296605e-06 ; 3.284132e-01 -6.296605e-06 6.809518e-03 9.284821e-04 0.000485 0.000060 True native_MD 7 186 286 CB_AB42_20 O_AB42_32 1 1.058019e-03 1.773345e-06 ; 3.446540e-01 1.578097e-01 6.715588e-03 1.044245e-03 0.000485 0.001191 True native_MD 7 186 287 - CB_AB42_20 N_AB42_33 1 0.000000e+00 3.660851e-06 ; 3.139016e-01 -3.660851e-06 4.916483e-03 7.732698e-04 0.000485 0.000060 True native_MD 7 186 288 + CB_AB42_20 N_AB42_33 1 0.000000e+00 3.660803e-06 ; 3.139012e-01 -3.660803e-06 4.916483e-03 7.732698e-04 0.000485 0.000060 True native_MD 7 186 288 CB_AB42_20 CA_AB42_33 1 1.733231e-03 5.227568e-06 ; 3.801082e-01 1.436657e-01 1.132605e-02 3.065141e-03 0.000485 0.001190 True native_MD 7 186 290 - CB_AB42_20 C_AB42_33 1 0.000000e+00 6.303965e-06 ; 3.284451e-01 -6.303965e-06 6.181172e-03 1.445488e-03 0.000485 0.000060 True native_MD 7 186 291 + CB_AB42_20 C_AB42_33 1 0.000000e+00 6.303860e-06 ; 3.284447e-01 -6.303860e-06 6.181172e-03 1.445488e-03 0.000485 0.000060 True native_MD 7 186 291 CB_AB42_20 O_AB42_33 1 5.417360e-04 5.081110e-07 ; 3.128685e-01 1.443965e-01 4.495284e-03 1.124826e-03 0.000485 0.001191 True native_MD 7 186 292 CB_AB42_20 N_AB42_34 1 5.388104e-04 9.966689e-07 ; 3.503637e-01 7.282174e-02 3.285920e-03 3.717210e-04 0.000485 0.000060 True native_MD 7 186 293 CB_AB42_20 CA_AB42_34 1 3.491292e-03 1.784616e-05 ; 4.150430e-01 1.707528e-01 1.320137e-02 1.362427e-03 0.000485 0.001021 True native_MD 7 186 295 @@ -39278,17 +39278,17 @@ CE2_AB42_19 O2_AB42_42 1 3.471331e-04 3.690738e-07 ; 3.194745e-01 8.162418 CB_AB42_20 CD_AB42_41 1 1.866944e-03 4.586978e-06 ; 3.673380e-01 1.899660e-01 1.757957e-02 2.273762e-03 0.000485 0.002332 True native_MD 7 186 351 CB_AB42_20 C_AB42_41 1 6.987896e-04 1.607390e-06 ; 3.633254e-01 7.594719e-02 3.463516e-03 3.568264e-04 0.000485 0.000060 True native_MD 7 186 352 CB_AB42_20 O_AB42_41 1 4.175275e-04 3.278455e-07 ; 3.037368e-01 1.329354e-01 3.190077e-03 4.796566e-04 0.000485 0.001191 True native_MD 7 186 353 - CB_AB42_20 N_AB42_42 1 0.000000e+00 3.668988e-06 ; 3.139597e-01 -3.668988e-06 2.225724e-03 2.960676e-04 0.000485 0.000060 True native_MD 7 186 354 + CB_AB42_20 N_AB42_42 1 0.000000e+00 3.668940e-06 ; 3.139593e-01 -3.668940e-06 2.225724e-03 2.960676e-04 0.000485 0.000060 True native_MD 7 186 354 CB_AB42_20 CA_AB42_42 1 2.404638e-03 1.015727e-05 ; 4.020572e-01 1.423188e-01 6.475314e-03 1.564953e-03 0.000485 0.001021 True native_MD 7 186 356 CB_AB42_20 CB_AB42_42 1 1.532987e-03 3.738654e-06 ; 3.668846e-01 1.571455e-01 6.583415e-03 1.147980e-03 0.000485 0.002332 True native_MD 7 186 357 - CB_AB42_20 C_AB42_42 1 0.000000e+00 6.330804e-06 ; 3.285614e-01 -6.330804e-06 1.319532e-03 8.211139e-04 0.000485 0.000060 True native_MD 7 186 358 - CB_AB42_20 O1_AB42_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 359 - CB_AB42_20 O2_AB42_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 360 - CG_AB42_20 O_AB42_20 1 0.000000e+00 6.887447e-07 ; 2.731072e-01 -6.887447e-07 7.673209e-01 6.002016e-01 0.000485 0.000060 True native_MD 4 187 194 - CG_AB42_20 N_AB42_21 1 0.000000e+00 1.739675e-06 ; 2.950308e-01 -1.739675e-06 5.368471e-01 6.903638e-01 0.000485 0.000060 True native_MD 4 187 195 - CG_AB42_20 CA_AB42_21 1 0.000000e+00 1.459518e-05 ; 3.522458e-01 -1.459518e-05 1.915963e-01 3.098414e-01 0.000485 0.000060 True native_MD 5 187 197 - CG_AB42_20 CB_AB42_21 1 0.000000e+00 4.731716e-06 ; 3.206859e-01 -4.731716e-06 3.662627e-02 3.781133e-02 0.000485 0.000060 True native_MD 6 187 198 - CG_AB42_20 C_AB42_21 1 0.000000e+00 2.606827e-06 ; 3.051437e-01 -2.606827e-06 5.109246e-02 5.427006e-02 0.000485 0.000060 True native_MD 6 187 199 + CB_AB42_20 C_AB42_42 1 0.000000e+00 6.330698e-06 ; 3.285610e-01 -6.330698e-06 1.319532e-03 8.211139e-04 0.000485 0.000060 True native_MD 7 186 358 + CB_AB42_20 O1_AB42_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 359 + CB_AB42_20 O2_AB42_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 360 + CG_AB42_20 O_AB42_20 1 0.000000e+00 6.887416e-07 ; 2.731071e-01 -6.887416e-07 7.673209e-01 6.002016e-01 0.000485 0.000060 True native_MD 4 187 194 + CG_AB42_20 N_AB42_21 1 0.000000e+00 1.739650e-06 ; 2.950304e-01 -1.739650e-06 5.368471e-01 6.903638e-01 0.000485 0.000060 True native_MD 4 187 195 + CG_AB42_20 CA_AB42_21 1 0.000000e+00 1.459511e-05 ; 3.522456e-01 -1.459511e-05 1.915963e-01 3.098414e-01 0.000485 0.000060 True native_MD 5 187 197 + CG_AB42_20 CB_AB42_21 1 0.000000e+00 4.731655e-06 ; 3.206856e-01 -4.731655e-06 3.662627e-02 3.781133e-02 0.000485 0.000060 True native_MD 6 187 198 + CG_AB42_20 C_AB42_21 1 0.000000e+00 2.606781e-06 ; 3.051432e-01 -2.606781e-06 5.109246e-02 5.427006e-02 0.000485 0.000060 True native_MD 6 187 199 CG_AB42_20 O_AB42_21 1 1.195540e-03 2.797595e-06 ; 3.643651e-01 1.277273e-01 2.916434e-02 3.535860e-02 0.000485 0.003309 True native_MD 7 187 200 CG_AB42_20 N_AB42_22 1 1.246983e-03 3.581165e-06 ; 3.770168e-01 1.085517e-01 2.443147e-02 5.257814e-02 0.000485 0.003309 True native_MD 7 187 201 CG_AB42_20 CA_AB42_22 1 3.826917e-03 3.747675e-05 ; 4.625430e-01 9.769587e-02 4.057177e-02 7.056062e-02 0.000485 0.001933 True native_MD 7 187 203 @@ -39299,7 +39299,7 @@ CE2_AB42_19 O2_AB42_42 1 3.471331e-04 3.690738e-07 ; 3.194745e-01 8.162418 CG_AB42_20 OE2_AB42_22 1 6.583665e-04 1.330914e-06 ; 3.555880e-01 8.141893e-02 2.309470e-03 1.119468e-02 0.000485 0.003309 True native_MD 7 187 208 CG_AB42_20 C_AB42_22 1 1.989071e-03 1.103699e-05 ; 4.207590e-01 8.961687e-02 3.647857e-03 1.383489e-02 0.000485 0.003309 True native_MD 7 187 209 CG_AB42_20 O_AB42_22 1 1.150581e-03 2.820707e-06 ; 3.672035e-01 1.173319e-01 1.722494e-02 2.850398e-02 0.000485 0.003309 True native_MD 7 187 210 - CG_AB42_20 N_AB42_23 1 0.000000e+00 1.519974e-06 ; 2.917302e-01 -1.519974e-06 1.003200e-03 8.843763e-03 0.000485 0.003309 True native_MD 7 187 211 + CG_AB42_20 N_AB42_23 1 0.000000e+00 1.519952e-06 ; 2.917298e-01 -1.519952e-06 1.003200e-03 8.843763e-03 0.000485 0.003309 True native_MD 7 187 211 CG_AB42_20 CA_AB42_23 1 2.822298e-03 2.297821e-05 ; 4.485239e-01 8.666218e-02 1.697041e-02 4.106123e-02 0.000485 0.001933 True native_MD 7 187 213 CG_AB42_20 CB_AB42_23 1 1.741396e-03 6.968892e-06 ; 3.984536e-01 1.087855e-01 4.416642e-02 6.651471e-02 0.000485 0.002332 True native_MD 7 187 214 CG_AB42_20 CG_AB42_23 1 1.935703e-03 8.816696e-06 ; 4.071407e-01 1.062457e-01 1.591582e-02 3.669842e-02 0.000485 0.003309 True native_MD 7 187 215 @@ -39425,10 +39425,10 @@ CE2_AB42_19 O2_AB42_42 1 3.471331e-04 3.690738e-07 ; 3.194745e-01 8.162418 CG_AB42_20 N_AB42_42 1 5.501276e-04 1.005092e-06 ; 3.496421e-01 7.527678e-02 5.681077e-04 3.683069e-05 0.000485 0.003309 True native_MD 7 187 354 CG_AB42_20 CA_AB42_42 1 3.074389e-03 1.606893e-05 ; 4.165860e-01 1.470519e-01 4.867072e-03 1.091743e-03 0.000485 0.001933 True native_MD 7 187 356 CG_AB42_20 CB_AB42_42 1 1.611122e-03 4.227987e-06 ; 3.713934e-01 1.534841e-01 5.900180e-03 7.972756e-04 0.000485 0.005315 True native_MD 7 187 357 -CD1_AB42_20 C_AB42_20 1 0.000000e+00 2.398505e-06 ; 3.030331e-01 -2.398505e-06 9.348134e-01 8.578230e-01 0.000485 0.000060 True native_MD 4 188 193 -CD1_AB42_20 O_AB42_20 1 0.000000e+00 9.018013e-07 ; 2.793107e-01 -9.018013e-07 1.122662e-01 2.027905e-01 0.000485 0.000060 True native_MD 5 188 194 -CD1_AB42_20 N_AB42_21 1 0.000000e+00 1.625076e-06 ; 2.933602e-01 -1.625076e-06 1.549357e-01 2.324661e-01 0.000485 0.000060 True native_MD 5 188 195 -CD1_AB42_20 CA_AB42_21 1 0.000000e+00 1.389459e-05 ; 3.508048e-01 -1.389459e-05 1.144886e-01 1.790560e-01 0.000485 0.000060 True native_MD 6 188 197 +CD1_AB42_20 C_AB42_20 1 0.000000e+00 2.398463e-06 ; 3.030326e-01 -2.398463e-06 9.348134e-01 8.578230e-01 0.000485 0.000060 True native_MD 4 188 193 +CD1_AB42_20 O_AB42_20 1 0.000000e+00 9.017971e-07 ; 2.793106e-01 -9.017971e-07 1.122662e-01 2.027905e-01 0.000485 0.000060 True native_MD 5 188 194 +CD1_AB42_20 N_AB42_21 1 0.000000e+00 1.625053e-06 ; 2.933598e-01 -1.625053e-06 1.549357e-01 2.324661e-01 0.000485 0.000060 True native_MD 5 188 195 +CD1_AB42_20 CA_AB42_21 1 0.000000e+00 1.389452e-05 ; 3.508046e-01 -1.389452e-05 1.144886e-01 1.790560e-01 0.000485 0.000060 True native_MD 6 188 197 CD1_AB42_20 CB_AB42_21 1 1.081041e-03 2.073979e-06 ; 3.525010e-01 1.408705e-01 3.128020e-02 4.110095e-02 0.000485 0.005315 True native_MD 7 188 198 CD1_AB42_20 C_AB42_21 1 1.007415e-03 1.960026e-06 ; 3.533260e-01 1.294479e-01 4.591733e-02 5.287418e-02 0.000485 0.003309 True native_MD 7 188 199 CD1_AB42_20 O_AB42_21 1 3.382113e-04 2.134388e-07 ; 2.928740e-01 1.339809e-01 3.207685e-02 3.225214e-02 0.000485 0.003309 True native_MD 7 188 200 @@ -39569,10 +39569,10 @@ CD1_AB42_20 N_AB42_42 1 4.341949e-04 4.859774e-07 ; 3.222220e-01 9.698250 CD1_AB42_20 CA_AB42_42 1 1.775302e-03 5.384649e-06 ; 3.804645e-01 1.463279e-01 4.762763e-03 1.731945e-03 0.000485 0.001933 True native_MD 7 188 356 CD1_AB42_20 CB_AB42_42 1 7.969162e-04 1.017602e-06 ; 3.293777e-01 1.560225e-01 6.365846e-03 1.385030e-03 0.000485 0.005315 True native_MD 7 188 357 CD1_AB42_20 C_AB42_42 1 1.257609e-03 4.649468e-06 ; 3.932267e-01 8.504089e-02 7.609071e-04 1.055565e-03 0.000485 0.003309 True native_MD 7 188 358 -CD2_AB42_20 C_AB42_20 1 0.000000e+00 2.398505e-06 ; 3.030331e-01 -2.398505e-06 9.348134e-01 8.578230e-01 0.000485 0.000060 True native_MD 4 189 193 -CD2_AB42_20 O_AB42_20 1 0.000000e+00 9.018013e-07 ; 2.793107e-01 -9.018013e-07 1.122662e-01 2.027905e-01 0.000485 0.000060 True native_MD 5 189 194 -CD2_AB42_20 N_AB42_21 1 0.000000e+00 1.625076e-06 ; 2.933602e-01 -1.625076e-06 1.549357e-01 2.324661e-01 0.000485 0.000060 True native_MD 5 189 195 -CD2_AB42_20 CA_AB42_21 1 0.000000e+00 1.389459e-05 ; 3.508048e-01 -1.389459e-05 1.144886e-01 1.790560e-01 0.000485 0.000060 True native_MD 6 189 197 +CD2_AB42_20 C_AB42_20 1 0.000000e+00 2.398463e-06 ; 3.030326e-01 -2.398463e-06 9.348134e-01 8.578230e-01 0.000485 0.000060 True native_MD 4 189 193 +CD2_AB42_20 O_AB42_20 1 0.000000e+00 9.017971e-07 ; 2.793106e-01 -9.017971e-07 1.122662e-01 2.027905e-01 0.000485 0.000060 True native_MD 5 189 194 +CD2_AB42_20 N_AB42_21 1 0.000000e+00 1.625053e-06 ; 2.933598e-01 -1.625053e-06 1.549357e-01 2.324661e-01 0.000485 0.000060 True native_MD 5 189 195 +CD2_AB42_20 CA_AB42_21 1 0.000000e+00 1.389452e-05 ; 3.508046e-01 -1.389452e-05 1.144886e-01 1.790560e-01 0.000485 0.000060 True native_MD 6 189 197 CD2_AB42_20 CB_AB42_21 1 1.081041e-03 2.073979e-06 ; 3.525010e-01 1.408705e-01 3.128020e-02 4.110095e-02 0.000485 0.005315 True native_MD 7 189 198 CD2_AB42_20 C_AB42_21 1 1.007415e-03 1.960026e-06 ; 3.533260e-01 1.294479e-01 4.591733e-02 5.287418e-02 0.000485 0.003309 True native_MD 7 189 199 CD2_AB42_20 O_AB42_21 1 3.382113e-04 2.134388e-07 ; 2.928740e-01 1.339809e-01 3.207685e-02 3.225214e-02 0.000485 0.003309 True native_MD 7 189 200 @@ -39713,9 +39713,9 @@ CD2_AB42_20 N_AB42_42 1 4.341949e-04 4.859774e-07 ; 3.222220e-01 9.698250 CD2_AB42_20 CA_AB42_42 1 1.775302e-03 5.384649e-06 ; 3.804645e-01 1.463279e-01 4.762763e-03 1.731945e-03 0.000485 0.001933 True native_MD 7 189 356 CD2_AB42_20 CB_AB42_42 1 7.969162e-04 1.017602e-06 ; 3.293777e-01 1.560225e-01 6.365846e-03 1.385030e-03 0.000485 0.005315 True native_MD 7 189 357 CD2_AB42_20 C_AB42_42 1 1.257609e-03 4.649468e-06 ; 3.932267e-01 8.504089e-02 7.609071e-04 1.055565e-03 0.000485 0.003309 True native_MD 7 189 358 -CE1_AB42_20 C_AB42_20 1 0.000000e+00 2.732099e-06 ; 3.063395e-01 -2.732099e-06 9.685230e-02 1.482377e-01 0.000485 0.000060 True native_MD 5 190 193 -CE1_AB42_20 O_AB42_20 1 0.000000e+00 8.572773e-07 ; 2.781347e-01 -8.572773e-07 2.371275e-02 6.039541e-02 0.000485 0.000060 True native_MD 6 190 194 -CE1_AB42_20 N_AB42_21 1 0.000000e+00 1.517685e-06 ; 2.916935e-01 -1.517685e-06 5.113710e-02 5.746030e-02 0.000485 0.000060 True native_MD 6 190 195 +CE1_AB42_20 C_AB42_20 1 0.000000e+00 2.732050e-06 ; 3.063391e-01 -2.732050e-06 9.685230e-02 1.482377e-01 0.000485 0.000060 True native_MD 5 190 193 +CE1_AB42_20 O_AB42_20 1 0.000000e+00 8.572734e-07 ; 2.781346e-01 -8.572734e-07 2.371275e-02 6.039541e-02 0.000485 0.000060 True native_MD 6 190 194 +CE1_AB42_20 N_AB42_21 1 0.000000e+00 1.517664e-06 ; 2.916932e-01 -1.517664e-06 5.113710e-02 5.746030e-02 0.000485 0.000060 True native_MD 6 190 195 CE1_AB42_20 CA_AB42_21 1 3.102037e-03 2.177324e-05 ; 4.375685e-01 1.104869e-01 6.397352e-02 7.587483e-02 0.000485 0.001933 True native_MD 7 190 197 CE1_AB42_20 CB_AB42_21 1 1.373389e-03 3.061194e-06 ; 3.614234e-01 1.540410e-01 2.404532e-02 2.130298e-02 0.000485 0.005315 True native_MD 7 190 198 CE1_AB42_20 C_AB42_21 1 1.309848e-03 3.126652e-06 ; 3.655749e-01 1.371837e-01 2.716987e-02 2.482077e-02 0.000485 0.003309 True native_MD 7 190 199 @@ -39857,9 +39857,9 @@ CE1_AB42_20 N_AB42_42 1 7.962643e-04 1.256646e-06 ; 3.412133e-01 1.261367 CE1_AB42_20 CA_AB42_42 1 1.703691e-03 4.996056e-06 ; 3.783317e-01 1.452427e-01 6.459615e-03 2.707667e-03 0.000485 0.001933 True native_MD 7 190 356 CE1_AB42_20 CB_AB42_42 1 9.796441e-04 1.469243e-06 ; 3.383277e-01 1.632988e-01 7.914501e-03 1.938415e-03 0.000485 0.005315 True native_MD 7 190 357 CE1_AB42_20 C_AB42_42 1 1.357245e-03 5.191422e-06 ; 3.954619e-01 8.870953e-02 8.492033e-04 1.393459e-03 0.000485 0.003309 True native_MD 7 190 358 -CE2_AB42_20 C_AB42_20 1 0.000000e+00 2.732099e-06 ; 3.063395e-01 -2.732099e-06 9.685230e-02 1.482377e-01 0.000485 0.000060 True native_MD 5 191 193 -CE2_AB42_20 O_AB42_20 1 0.000000e+00 8.572773e-07 ; 2.781347e-01 -8.572773e-07 2.371275e-02 6.039541e-02 0.000485 0.000060 True native_MD 6 191 194 -CE2_AB42_20 N_AB42_21 1 0.000000e+00 1.517685e-06 ; 2.916935e-01 -1.517685e-06 5.113710e-02 5.746030e-02 0.000485 0.000060 True native_MD 6 191 195 +CE2_AB42_20 C_AB42_20 1 0.000000e+00 2.732050e-06 ; 3.063391e-01 -2.732050e-06 9.685230e-02 1.482377e-01 0.000485 0.000060 True native_MD 5 191 193 +CE2_AB42_20 O_AB42_20 1 0.000000e+00 8.572734e-07 ; 2.781346e-01 -8.572734e-07 2.371275e-02 6.039541e-02 0.000485 0.000060 True native_MD 6 191 194 +CE2_AB42_20 N_AB42_21 1 0.000000e+00 1.517664e-06 ; 2.916932e-01 -1.517664e-06 5.113710e-02 5.746030e-02 0.000485 0.000060 True native_MD 6 191 195 CE2_AB42_20 CA_AB42_21 1 3.102037e-03 2.177324e-05 ; 4.375685e-01 1.104869e-01 6.397352e-02 7.587483e-02 0.000485 0.001933 True native_MD 7 191 197 CE2_AB42_20 CB_AB42_21 1 1.373389e-03 3.061194e-06 ; 3.614234e-01 1.540410e-01 2.404532e-02 2.130298e-02 0.000485 0.005315 True native_MD 7 191 198 CE2_AB42_20 C_AB42_21 1 1.309848e-03 3.126652e-06 ; 3.655749e-01 1.371837e-01 2.716987e-02 2.482077e-02 0.000485 0.003309 True native_MD 7 191 199 @@ -40001,7 +40001,7 @@ CE2_AB42_20 N_AB42_42 1 7.962643e-04 1.256646e-06 ; 3.412133e-01 1.261367 CE2_AB42_20 CA_AB42_42 1 1.703691e-03 4.996056e-06 ; 3.783317e-01 1.452427e-01 6.459615e-03 2.707667e-03 0.000485 0.001933 True native_MD 7 191 356 CE2_AB42_20 CB_AB42_42 1 9.796441e-04 1.469243e-06 ; 3.383277e-01 1.632988e-01 7.914501e-03 1.938415e-03 0.000485 0.005315 True native_MD 7 191 357 CE2_AB42_20 C_AB42_42 1 1.357245e-03 5.191422e-06 ; 3.954619e-01 8.870953e-02 8.492033e-04 1.393459e-03 0.000485 0.003309 True native_MD 7 191 358 - CZ_AB42_20 C_AB42_20 1 0.000000e+00 2.622733e-06 ; 3.052984e-01 -2.622733e-06 7.692026e-03 1.699078e-02 0.000485 0.000060 True native_MD 6 192 193 + CZ_AB42_20 C_AB42_20 1 0.000000e+00 2.622687e-06 ; 3.052979e-01 -2.622687e-06 7.692026e-03 1.699078e-02 0.000485 0.000060 True native_MD 6 192 193 CZ_AB42_20 O_AB42_20 1 9.626271e-04 3.280396e-06 ; 3.879222e-01 7.062037e-02 2.117445e-03 1.417928e-02 0.000485 0.003309 True native_MD 7 192 194 CZ_AB42_20 N_AB42_21 1 2.181815e-03 8.720869e-06 ; 3.983734e-01 1.364634e-01 1.524251e-02 1.422831e-02 0.000485 0.003309 True native_MD 7 192 195 CZ_AB42_20 CA_AB42_21 1 4.832971e-03 4.788962e-05 ; 4.634517e-01 1.219346e-01 3.622897e-02 3.050503e-02 0.000485 0.001933 True native_MD 7 192 197 @@ -40020,9 +40020,9 @@ CE2_AB42_20 C_AB42_42 1 1.357245e-03 5.191422e-06 ; 3.954619e-01 8.870953 CZ_AB42_20 N_AB42_23 1 5.281447e-04 7.071795e-07 ; 3.319934e-01 9.860891e-02 2.032045e-03 5.888597e-03 0.000485 0.003309 True native_MD 7 192 211 CZ_AB42_20 CA_AB42_23 1 7.632878e-04 2.042411e-06 ; 3.725997e-01 7.131379e-02 5.373276e-03 2.058054e-02 0.000485 0.001933 True native_MD 7 192 213 CZ_AB42_20 CB_AB42_23 1 8.063336e-04 2.063936e-06 ; 3.698539e-01 7.875413e-02 6.203319e-03 2.294869e-02 0.000485 0.002332 True native_MD 7 192 214 - CZ_AB42_20 CG_AB42_23 1 0.000000e+00 2.636577e-06 ; 3.054324e-01 -2.636577e-06 2.040073e-03 1.666626e-02 0.000485 0.003309 True native_MD 7 192 215 - CZ_AB42_20 OD1_AB42_23 1 0.000000e+00 6.768604e-07 ; 2.727114e-01 -6.768604e-07 9.560463e-04 1.209890e-02 0.000485 0.003309 True native_MD 7 192 216 - CZ_AB42_20 OD2_AB42_23 1 0.000000e+00 6.768604e-07 ; 2.727114e-01 -6.768604e-07 9.560463e-04 1.209890e-02 0.000485 0.003309 True native_MD 7 192 217 + CZ_AB42_20 CG_AB42_23 1 0.000000e+00 2.636530e-06 ; 3.054319e-01 -2.636530e-06 2.040073e-03 1.666626e-02 0.000485 0.003309 True native_MD 7 192 215 + CZ_AB42_20 OD1_AB42_23 1 0.000000e+00 6.768574e-07 ; 2.727113e-01 -6.768574e-07 9.560463e-04 1.209890e-02 0.000485 0.003309 True native_MD 7 192 216 + CZ_AB42_20 OD2_AB42_23 1 0.000000e+00 6.768574e-07 ; 2.727113e-01 -6.768574e-07 9.560463e-04 1.209890e-02 0.000485 0.003309 True native_MD 7 192 217 CZ_AB42_20 C_AB42_23 1 9.214545e-04 2.015285e-06 ; 3.602830e-01 1.053298e-01 2.227922e-03 5.279859e-03 0.000485 0.003309 True native_MD 7 192 218 CZ_AB42_20 O_AB42_23 1 4.472754e-04 5.197596e-07 ; 3.242435e-01 9.622491e-02 1.858094e-03 5.782771e-03 0.000485 0.003309 True native_MD 7 192 219 CZ_AB42_20 N_AB42_24 1 1.049779e-03 2.723548e-06 ; 3.706860e-01 1.011581e-01 1.232540e-03 3.006067e-03 0.000485 0.003309 True native_MD 7 192 220 @@ -40145,30 +40145,30 @@ CE2_AB42_20 C_AB42_42 1 1.357245e-03 5.191422e-06 ; 3.954619e-01 8.870953 CZ_AB42_20 CA_AB42_42 1 1.886356e-03 6.021230e-06 ; 3.837163e-01 1.477413e-01 7.708014e-03 2.998173e-03 0.000485 0.001933 True native_MD 7 192 356 CZ_AB42_20 CB_AB42_42 1 1.090032e-03 1.787105e-06 ; 3.433880e-01 1.662144e-01 8.636086e-03 2.174523e-03 0.000485 0.005315 True native_MD 7 192 357 CZ_AB42_20 C_AB42_42 1 1.182165e-03 4.610909e-06 ; 3.967511e-01 7.577214e-02 5.765921e-04 1.610999e-03 0.000485 0.003309 True native_MD 7 192 358 - C_AB42_20 CB_AB42_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 198 - C_AB42_20 O_AB42_21 1 0.000000e+00 7.218848e-07 ; 2.741789e-01 -7.218848e-07 9.410066e-01 8.139627e-01 0.000485 0.000060 True native_MD 4 193 200 - C_AB42_20 N_AB42_22 1 0.000000e+00 1.506781e-06 ; 2.915183e-01 -1.506781e-06 9.694581e-01 9.685514e-01 0.000485 0.000060 True native_MD 4 193 201 - C_AB42_20 CA_AB42_22 1 0.000000e+00 1.308941e-05 ; 3.490640e-01 -1.308941e-05 8.738822e-01 8.767587e-01 0.000485 0.000060 True native_MD 5 193 203 - C_AB42_20 CB_AB42_22 1 0.000000e+00 6.910022e-06 ; 3.309672e-01 -6.910022e-06 2.142412e-01 3.051892e-01 0.000485 0.000060 True native_MD 6 193 204 - C_AB42_20 CG_AB42_22 1 0.000000e+00 6.626191e-06 ; 3.298124e-01 -6.626191e-06 1.445802e-01 1.907172e-01 0.000485 0.000060 True native_MD 7 193 205 + C_AB42_20 CB_AB42_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 198 + C_AB42_20 O_AB42_21 1 0.000000e+00 7.218815e-07 ; 2.741788e-01 -7.218815e-07 9.410066e-01 8.139627e-01 0.000485 0.000060 True native_MD 4 193 200 + C_AB42_20 N_AB42_22 1 0.000000e+00 1.506760e-06 ; 2.915180e-01 -1.506760e-06 9.694581e-01 9.685514e-01 0.000485 0.000060 True native_MD 4 193 201 + C_AB42_20 CA_AB42_22 1 0.000000e+00 1.308934e-05 ; 3.490638e-01 -1.308934e-05 8.738822e-01 8.767587e-01 0.000485 0.000060 True native_MD 5 193 203 + C_AB42_20 CB_AB42_22 1 0.000000e+00 6.909906e-06 ; 3.309667e-01 -6.909906e-06 2.142412e-01 3.051892e-01 0.000485 0.000060 True native_MD 6 193 204 + C_AB42_20 CG_AB42_22 1 0.000000e+00 6.626080e-06 ; 3.298120e-01 -6.626080e-06 1.445802e-01 1.907172e-01 0.000485 0.000060 True native_MD 7 193 205 C_AB42_20 CD_AB42_22 1 1.905658e-03 7.759603e-06 ; 3.996064e-01 1.170012e-01 8.307384e-03 9.086847e-03 0.000485 0.002166 True native_MD 7 193 206 C_AB42_20 OE1_AB42_22 1 5.317974e-04 5.326189e-07 ; 3.163091e-01 1.327443e-01 3.171878e-03 1.949878e-03 0.000485 0.002166 True native_MD 7 193 207 C_AB42_20 OE2_AB42_22 1 5.317974e-04 5.326189e-07 ; 3.163091e-01 1.327443e-01 3.171878e-03 1.949878e-03 0.000485 0.002166 True native_MD 7 193 208 - C_AB42_20 C_AB42_22 1 0.000000e+00 2.940721e-06 ; 3.082238e-01 -2.940721e-06 1.086570e-01 2.403260e-01 0.000485 0.000060 True native_MD 6 193 209 + C_AB42_20 C_AB42_22 1 0.000000e+00 2.940669e-06 ; 3.082233e-01 -2.940669e-06 1.086570e-01 2.403260e-01 0.000485 0.000060 True native_MD 6 193 209 C_AB42_20 O_AB42_22 1 7.726732e-04 1.367155e-06 ; 3.477792e-01 1.091727e-01 8.136098e-02 1.124921e-01 0.000485 0.002166 True native_MD 7 193 210 C_AB42_20 N_AB42_23 1 5.566612e-04 1.024562e-06 ; 3.500724e-01 7.561076e-02 6.182759e-02 2.333866e-01 0.000485 0.002166 True native_MD 7 193 211 - C_AB42_20 CA_AB42_23 1 0.000000e+00 1.515092e-05 ; 3.533444e-01 -1.515092e-05 7.338278e-02 2.342072e-01 0.000485 0.001339 True native_MD 7 193 213 - C_AB42_20 CB_AB42_23 1 0.000000e+00 6.928813e-06 ; 3.310421e-01 -6.928813e-06 6.779685e-02 1.617115e-01 0.000485 0.000060 True native_MD 7 193 214 + C_AB42_20 CA_AB42_23 1 0.000000e+00 1.515085e-05 ; 3.533443e-01 -1.515085e-05 7.338278e-02 2.342072e-01 0.000485 0.001339 True native_MD 7 193 213 + C_AB42_20 CB_AB42_23 1 0.000000e+00 6.928696e-06 ; 3.310416e-01 -6.928696e-06 6.779685e-02 1.617115e-01 0.000485 0.000060 True native_MD 7 193 214 C_AB42_20 CG_AB42_23 1 1.512651e-03 5.925577e-06 ; 3.970379e-01 9.653544e-02 1.754247e-02 3.540193e-02 0.000485 0.002166 True native_MD 7 193 215 C_AB42_20 OD1_AB42_23 1 4.691945e-04 6.943314e-07 ; 3.375740e-01 7.926455e-02 5.578652e-03 1.887745e-02 0.000485 0.002166 True native_MD 7 193 216 C_AB42_20 OD2_AB42_23 1 4.691945e-04 6.943314e-07 ; 3.375740e-01 7.926455e-02 5.578652e-03 1.887745e-02 0.000485 0.002166 True native_MD 7 193 217 C_AB42_20 C_AB42_23 1 1.675618e-03 7.979885e-06 ; 4.101760e-01 8.796170e-02 1.168357e-02 3.047487e-02 0.000485 0.002166 True native_MD 7 193 218 - C_AB42_20 O_AB42_23 1 0.000000e+00 8.601607e-07 ; 2.782125e-01 -8.601607e-07 7.936415e-03 4.810585e-02 0.000485 0.002166 True native_MD 7 193 219 + C_AB42_20 O_AB42_23 1 0.000000e+00 8.601567e-07 ; 2.782124e-01 -8.601567e-07 7.936415e-03 4.810585e-02 0.000485 0.002166 True native_MD 7 193 219 C_AB42_20 N_AB42_24 1 9.916901e-04 2.268610e-06 ; 3.629922e-01 1.083757e-01 1.281307e-02 1.814310e-02 0.000485 0.002166 True native_MD 7 193 220 C_AB42_20 CA_AB42_24 1 2.506207e-03 1.896438e-05 ; 4.430849e-01 8.280091e-02 1.532891e-02 2.884118e-02 0.000485 0.001339 True native_MD 7 193 222 - C_AB42_20 CB_AB42_24 1 0.000000e+00 1.327452e-05 ; 3.494727e-01 -1.327452e-05 2.550778e-02 4.256675e-02 0.000485 0.000060 True native_MD 7 193 223 - C_AB42_20 CG1_AB42_24 1 0.000000e+00 4.778056e-06 ; 3.209465e-01 -4.778056e-06 1.223512e-02 2.322514e-02 0.000485 0.000060 True native_MD 7 193 224 - C_AB42_20 CG2_AB42_24 1 0.000000e+00 4.848428e-06 ; 3.213377e-01 -4.848428e-06 2.288015e-02 4.876017e-02 0.000485 0.000060 True native_MD 7 193 225 + C_AB42_20 CB_AB42_24 1 0.000000e+00 1.327445e-05 ; 3.494725e-01 -1.327445e-05 2.550778e-02 4.256675e-02 0.000485 0.000060 True native_MD 7 193 223 + C_AB42_20 CG1_AB42_24 1 0.000000e+00 4.777993e-06 ; 3.209461e-01 -4.777993e-06 1.223512e-02 2.322514e-02 0.000485 0.000060 True native_MD 7 193 224 + C_AB42_20 CG2_AB42_24 1 0.000000e+00 4.848364e-06 ; 3.213374e-01 -4.848364e-06 2.288015e-02 4.876017e-02 0.000485 0.000060 True native_MD 7 193 225 C_AB42_20 C_AB42_24 1 1.653816e-03 8.787071e-06 ; 4.177273e-01 7.781625e-02 6.129645e-04 1.123371e-03 0.000485 0.002166 True native_MD 7 193 226 C_AB42_20 O_AB42_24 1 3.762305e-04 4.353810e-07 ; 3.240181e-01 8.127903e-02 1.054177e-03 3.358488e-03 0.000485 0.002166 True native_MD 7 193 227 C_AB42_20 N_AB42_25 1 9.022572e-04 2.644888e-06 ; 3.783086e-01 7.694729e-02 5.972303e-04 1.399600e-03 0.000485 0.002166 True native_MD 7 193 228 @@ -40177,13 +40177,13 @@ CE2_AB42_20 C_AB42_42 1 1.357245e-03 5.191422e-06 ; 3.954619e-01 8.870953 C_AB42_20 O_AB42_25 1 9.565246e-04 2.793841e-06 ; 3.780805e-01 8.187109e-02 6.920456e-04 5.182219e-04 0.000485 0.002166 True native_MD 7 193 232 C_AB42_20 N_AB42_26 1 1.104719e-03 3.046675e-06 ; 3.744804e-01 1.001423e-01 1.195637e-03 2.471992e-04 0.000485 0.002166 True native_MD 7 193 233 C_AB42_20 CA_AB42_26 1 3.069520e-03 1.831557e-05 ; 4.258843e-01 1.286058e-01 1.075432e-02 5.137765e-03 0.000485 0.001339 True native_MD 7 193 235 - C_AB42_20 CB_AB42_26 1 0.000000e+00 6.210793e-06 ; 3.280378e-01 -6.210793e-06 3.633111e-02 1.688547e-02 0.000485 0.000060 True native_MD 7 193 236 + C_AB42_20 CB_AB42_26 1 0.000000e+00 6.210689e-06 ; 3.280374e-01 -6.210689e-06 3.633111e-02 1.688547e-02 0.000485 0.000060 True native_MD 7 193 236 C_AB42_20 OG_AB42_26 1 7.295481e-04 8.899383e-07 ; 3.268770e-01 1.495161e-01 2.460495e-02 1.017178e-02 0.000485 0.002166 True native_MD 7 193 237 C_AB42_20 C_AB42_26 1 1.985967e-03 8.176153e-06 ; 4.003405e-01 1.205966e-01 2.205143e-03 3.166080e-04 0.000485 0.002166 True native_MD 7 193 238 C_AB42_20 O_AB42_26 1 5.015237e-04 5.271316e-07 ; 3.188633e-01 1.192900e-01 2.120584e-03 6.760436e-04 0.000485 0.002166 True native_MD 7 193 239 C_AB42_20 N_AB42_27 1 9.991014e-04 2.642639e-06 ; 3.718816e-01 9.443246e-02 1.007838e-03 7.480258e-05 0.000485 0.002166 True native_MD 7 193 240 C_AB42_20 CA_AB42_27 1 2.997032e-03 1.337642e-05 ; 4.057652e-01 1.678738e-01 1.134884e-02 1.674132e-03 0.000485 0.001339 True native_MD 7 193 242 - C_AB42_20 CB_AB42_27 1 0.000000e+00 6.257819e-06 ; 3.282441e-01 -6.257819e-06 1.417986e-02 2.158581e-03 0.000485 0.000060 True native_MD 7 193 243 + C_AB42_20 CB_AB42_27 1 0.000000e+00 6.257714e-06 ; 3.282436e-01 -6.257714e-06 1.417986e-02 2.158581e-03 0.000485 0.000060 True native_MD 7 193 243 C_AB42_20 CG_AB42_27 1 2.084273e-03 5.256092e-06 ; 3.689363e-01 2.066266e-01 2.974884e-02 2.226322e-03 0.000485 0.002166 True native_MD 7 193 244 C_AB42_20 OD1_AB42_27 1 8.495991e-04 8.918576e-07 ; 3.187965e-01 2.023357e-01 2.642115e-02 2.248270e-03 0.000485 0.002166 True native_MD 7 193 245 C_AB42_20 ND2_AB42_27 1 9.727415e-04 1.272807e-06 ; 3.307203e-01 1.858541e-01 3.413476e-02 4.756649e-03 0.000485 0.002166 True native_MD 7 193 246 @@ -40193,8 +40193,8 @@ CE2_AB42_20 C_AB42_42 1 1.357245e-03 5.191422e-06 ; 3.954619e-01 8.870953 C_AB42_20 CA_AB42_28 1 3.767257e-03 1.987093e-05 ; 4.172203e-01 1.785552e-01 1.249411e-02 7.535264e-04 0.000485 0.001339 True native_MD 7 193 251 C_AB42_20 CB_AB42_28 1 1.201173e-03 4.059632e-06 ; 3.873886e-01 8.885149e-02 1.083980e-02 7.590112e-04 0.000485 0.000060 True native_MD 7 193 252 C_AB42_20 CG_AB42_28 1 1.011557e-03 2.772983e-06 ; 3.741044e-01 9.225146e-02 1.187978e-02 7.513581e-04 0.000485 0.000060 True native_MD 7 193 253 - C_AB42_20 CD_AB42_28 1 0.000000e+00 6.257799e-06 ; 3.282440e-01 -6.257799e-06 1.420201e-02 2.177641e-03 0.000485 0.000060 True native_MD 7 193 254 - C_AB42_20 CE_AB42_28 1 0.000000e+00 6.260567e-06 ; 3.282561e-01 -6.260567e-06 1.467939e-02 3.091992e-03 0.000485 0.000060 True native_MD 7 193 255 + C_AB42_20 CD_AB42_28 1 0.000000e+00 6.257694e-06 ; 3.282435e-01 -6.257694e-06 1.420201e-02 2.177641e-03 0.000485 0.000060 True native_MD 7 193 254 + C_AB42_20 CE_AB42_28 1 0.000000e+00 6.260462e-06 ; 3.282556e-01 -6.260462e-06 1.467939e-02 3.091992e-03 0.000485 0.000060 True native_MD 7 193 255 C_AB42_20 NZ_AB42_28 1 1.123325e-03 2.029659e-06 ; 3.489953e-01 1.554275e-01 6.253501e-03 2.120347e-03 0.000485 0.002166 True native_MD 7 193 256 C_AB42_20 C_AB42_28 1 2.394567e-03 9.419945e-06 ; 3.973168e-01 1.521758e-01 5.673635e-03 3.035036e-04 0.000485 0.002166 True native_MD 7 193 257 C_AB42_20 O_AB42_28 1 7.038000e-04 8.053433e-07 ; 3.234114e-01 1.537650e-01 5.949985e-03 7.187767e-04 0.000485 0.002166 True native_MD 7 193 258 @@ -40230,8 +40230,8 @@ CE2_AB42_20 C_AB42_42 1 1.357245e-03 5.191422e-06 ; 3.954619e-01 8.870953 C_AB42_20 CA_AB42_34 1 2.387125e-03 1.205525e-05 ; 4.142064e-01 1.181719e-01 2.050802e-03 1.449476e-04 0.000485 0.001339 True native_MD 7 193 295 C_AB42_20 CB_AB42_34 1 1.164947e-03 4.341430e-06 ; 3.937505e-01 7.814826e-02 1.549615e-03 1.494710e-04 0.000485 0.000060 True native_MD 7 193 296 C_AB42_20 CG_AB42_34 1 2.129461e-03 1.595789e-05 ; 4.423686e-01 7.104012e-02 5.127383e-03 6.118022e-04 0.000485 0.000060 True native_MD 7 193 297 - C_AB42_20 CD1_AB42_34 1 0.000000e+00 4.706200e-06 ; 3.205415e-01 -4.706200e-06 5.094570e-03 8.805880e-04 0.000485 0.000060 True native_MD 7 193 298 - C_AB42_20 CD2_AB42_34 1 0.000000e+00 4.702673e-06 ; 3.205214e-01 -4.702673e-06 5.878980e-03 9.187042e-04 0.000485 0.000060 True native_MD 7 193 299 + C_AB42_20 CD1_AB42_34 1 0.000000e+00 4.706138e-06 ; 3.205411e-01 -4.706138e-06 5.094570e-03 8.805880e-04 0.000485 0.000060 True native_MD 7 193 298 + C_AB42_20 CD2_AB42_34 1 0.000000e+00 4.702611e-06 ; 3.205211e-01 -4.702611e-06 5.878980e-03 9.187042e-04 0.000485 0.000060 True native_MD 7 193 299 C_AB42_20 C_AB42_34 1 1.862464e-03 8.393624e-06 ; 4.064218e-01 1.033156e-01 1.314748e-03 2.150366e-05 0.000485 0.002166 True native_MD 7 193 300 C_AB42_20 O_AB42_34 1 4.863056e-04 5.059998e-07 ; 3.183270e-01 1.168445e-01 1.970936e-03 1.377202e-04 0.000485 0.002166 True native_MD 7 193 301 C_AB42_20 N_AB42_35 1 6.855445e-04 1.601182e-06 ; 3.642511e-01 7.337881e-02 5.367394e-04 3.314863e-05 0.000485 0.002166 True native_MD 7 193 302 @@ -40285,11 +40285,11 @@ CE2_AB42_20 C_AB42_42 1 1.357245e-03 5.191422e-06 ; 3.954619e-01 8.870953 O_AB42_20 O_AB42_20 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 194 O_AB42_20 H_AB42_21 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 196 O_AB42_20 CB_AB42_21 1 0.000000e+00 1.503456e-06 ; 2.914647e-01 -1.503456e-06 9.999988e-01 9.996427e-01 0.000485 0.000060 True native_MD 4 194 198 - O_AB42_20 C_AB42_21 1 0.000000e+00 8.187358e-07 ; 2.770705e-01 -8.187358e-07 9.997726e-01 9.898480e-01 0.000485 0.000060 True native_MD 4 194 199 + O_AB42_20 C_AB42_21 1 0.000000e+00 8.187320e-07 ; 2.770704e-01 -8.187320e-07 9.997726e-01 9.898480e-01 0.000485 0.000060 True native_MD 4 194 199 O_AB42_20 O_AB42_21 1 0.000000e+00 1.314610e-06 ; 2.882226e-01 -1.314610e-06 9.073400e-01 7.837466e-01 0.000485 0.000060 True native_MD 5 194 200 O_AB42_20 N_AB42_22 1 0.000000e+00 1.419226e-06 ; 2.900677e-01 -1.419226e-06 9.160660e-01 8.622169e-01 0.000485 0.000060 True native_MD 5 194 201 - O_AB42_20 H_AB42_22 1 0.000000e+00 1.618781e-08 ; 1.997993e-01 -1.618781e-08 1.815233e-01 2.248075e-01 0.000485 0.000060 True native_MD 6 194 202 - O_AB42_20 CA_AB42_22 1 0.000000e+00 3.972627e-06 ; 3.160469e-01 -3.972627e-06 6.688400e-01 6.252942e-01 0.000485 0.000060 True native_MD 6 194 203 + O_AB42_20 H_AB42_22 1 0.000000e+00 1.618806e-08 ; 1.997996e-01 -1.618806e-08 1.815233e-01 2.248075e-01 0.000485 0.000060 True native_MD 6 194 202 + O_AB42_20 CA_AB42_22 1 0.000000e+00 3.972659e-06 ; 3.160471e-01 -3.972659e-06 6.688400e-01 6.252942e-01 0.000485 0.000060 True native_MD 6 194 203 O_AB42_20 CB_AB42_22 1 1.071175e-03 2.481603e-06 ; 3.637575e-01 1.155922e-01 1.866545e-01 1.170553e-01 0.000485 0.001191 True native_MD 7 194 204 O_AB42_20 CG_AB42_22 1 6.773585e-04 1.062861e-06 ; 3.408864e-01 1.079197e-01 1.612616e-01 1.272333e-01 0.000485 0.001191 True native_MD 7 194 205 O_AB42_20 CD_AB42_22 1 1.214262e-03 3.133333e-06 ; 3.703528e-01 1.176409e-01 2.073483e-02 2.225088e-02 0.000485 0.002166 True native_MD 7 194 206 @@ -40299,8 +40299,8 @@ CE2_AB42_20 C_AB42_42 1 1.357245e-03 5.191422e-06 ; 3.954619e-01 8.870953 O_AB42_20 O_AB42_22 1 0.000000e+00 1.532689e-06 ; 2.919328e-01 -1.532689e-06 1.285897e-01 1.503824e-01 0.000485 0.000060 True native_MD 7 194 210 O_AB42_20 N_AB42_23 1 1.177692e-04 4.486755e-08 ; 2.692465e-01 7.728072e-02 7.306736e-02 2.623763e-01 0.000485 0.002166 True native_MD 7 194 211 O_AB42_20 H_AB42_23 1 7.954217e-06 1.452540e-10 ; 1.622763e-01 1.088947e-01 4.460817e-02 1.526324e-01 0.000485 0.005316 True native_MD 7 194 212 - O_AB42_20 CA_AB42_23 1 0.000000e+00 4.814390e-06 ; 3.211491e-01 -4.814390e-06 6.610674e-02 2.252247e-01 0.000485 0.001339 True native_MD 7 194 213 - O_AB42_20 CB_AB42_23 1 0.000000e+00 2.229409e-06 ; 3.011925e-01 -2.229409e-06 6.213644e-02 1.681828e-01 0.000485 0.001191 True native_MD 7 194 214 + O_AB42_20 CA_AB42_23 1 0.000000e+00 4.814428e-06 ; 3.211494e-01 -4.814428e-06 6.610674e-02 2.252247e-01 0.000485 0.001339 True native_MD 7 194 213 + O_AB42_20 CB_AB42_23 1 0.000000e+00 2.229401e-06 ; 3.011924e-01 -2.229401e-06 6.213644e-02 1.681828e-01 0.000485 0.001191 True native_MD 7 194 214 O_AB42_20 CG_AB42_23 1 3.839632e-04 4.388964e-07 ; 3.233544e-01 8.397641e-02 1.842018e-02 5.413363e-02 0.000485 0.002166 True native_MD 7 194 215 O_AB42_20 OD1_AB42_23 1 0.000000e+00 1.570781e-06 ; 2.925306e-01 -1.570781e-06 1.711274e-02 6.430028e-02 0.000485 0.000060 True native_MD 7 194 216 O_AB42_20 OD2_AB42_23 1 0.000000e+00 1.570781e-06 ; 2.925306e-01 -1.570781e-06 1.711274e-02 6.430028e-02 0.000485 0.000060 True native_MD 7 194 217 @@ -40308,11 +40308,11 @@ CE2_AB42_20 C_AB42_42 1 1.357245e-03 5.191422e-06 ; 3.954619e-01 8.870953 O_AB42_20 O_AB42_23 1 0.000000e+00 1.656278e-06 ; 2.938255e-01 -1.656278e-06 2.479457e-02 1.289801e-01 0.000485 0.000060 True native_MD 7 194 219 O_AB42_20 N_AB42_24 1 9.306862e-05 2.851760e-08 ; 2.596480e-01 7.593354e-02 1.955176e-02 7.309640e-02 0.000485 0.002166 True native_MD 7 194 220 O_AB42_20 H_AB42_24 1 6.493909e-06 8.505542e-11 ; 1.535321e-01 1.239511e-01 1.369493e-02 2.986132e-02 0.000485 0.005316 True native_MD 7 194 221 - O_AB42_20 CA_AB42_24 1 0.000000e+00 4.316802e-06 ; 3.182427e-01 -4.316802e-06 1.870009e-02 5.801821e-02 0.000485 0.001339 True native_MD 7 194 222 - O_AB42_20 CB_AB42_24 1 0.000000e+00 4.319717e-06 ; 3.182607e-01 -4.319717e-06 2.478980e-02 6.480981e-02 0.000485 0.001191 True native_MD 7 194 223 + O_AB42_20 CA_AB42_24 1 0.000000e+00 4.316836e-06 ; 3.182430e-01 -4.316836e-06 1.870009e-02 5.801821e-02 0.000485 0.001339 True native_MD 7 194 222 + O_AB42_20 CB_AB42_24 1 0.000000e+00 4.319752e-06 ; 3.182609e-01 -4.319752e-06 2.478980e-02 6.480981e-02 0.000485 0.001191 True native_MD 7 194 223 O_AB42_20 CG1_AB42_24 1 0.000000e+00 1.539679e-06 ; 2.920435e-01 -1.539679e-06 1.291457e-02 3.664298e-02 0.000485 0.001191 True native_MD 7 194 224 - O_AB42_20 CG2_AB42_24 1 0.000000e+00 1.561686e-06 ; 2.923891e-01 -1.561686e-06 2.216433e-02 6.052546e-02 0.000485 0.001191 True native_MD 7 194 225 - O_AB42_20 C_AB42_24 1 0.000000e+00 8.311540e-07 ; 2.774183e-01 -8.311540e-07 8.287066e-04 5.921095e-03 0.000485 0.002166 True native_MD 7 194 226 + O_AB42_20 CG2_AB42_24 1 0.000000e+00 1.561687e-06 ; 2.923891e-01 -1.561687e-06 2.216433e-02 6.052546e-02 0.000485 0.001191 True native_MD 7 194 225 + O_AB42_20 C_AB42_24 1 0.000000e+00 8.311501e-07 ; 2.774182e-01 -8.311501e-07 8.287066e-04 5.921095e-03 0.000485 0.002166 True native_MD 7 194 226 O_AB42_20 O_AB42_24 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 227 O_AB42_20 N_AB42_25 1 2.593990e-04 2.342149e-07 ; 3.108907e-01 7.182274e-02 1.506250e-03 6.368452e-03 0.000485 0.002166 True native_MD 7 194 228 O_AB42_20 H_AB42_25 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 229 @@ -40446,35 +40446,35 @@ CE2_AB42_20 C_AB42_42 1 1.357245e-03 5.191422e-06 ; 3.954619e-01 8.870953 O_AB42_20 CB_AB42_42 1 5.288728e-04 5.057520e-07 ; 3.138805e-01 1.382626e-01 3.741423e-03 4.036065e-04 0.000485 0.001191 True native_MD 7 194 357 O_AB42_20 O1_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 359 O_AB42_20 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 360 - N_AB42_21 CB_AB42_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 195 198 - N_AB42_21 CA_AB42_22 1 0.000000e+00 7.574818e-06 ; 3.335104e-01 -7.574818e-06 1.000000e+00 9.999766e-01 0.000485 0.000060 True native_MD 4 195 203 - N_AB42_21 CB_AB42_22 1 0.000000e+00 4.480279e-06 ; 3.192300e-01 -4.480279e-06 2.617351e-01 4.804998e-01 0.000485 0.000060 True native_MD 5 195 204 - N_AB42_21 CG_AB42_22 1 0.000000e+00 4.224806e-06 ; 3.176720e-01 -4.224806e-06 1.078392e-01 2.571081e-01 0.000485 0.000060 True native_MD 6 195 205 + N_AB42_21 CB_AB42_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 195 198 + N_AB42_21 CA_AB42_22 1 0.000000e+00 7.574806e-06 ; 3.335103e-01 -7.574806e-06 1.000000e+00 9.999766e-01 0.000485 0.000060 True native_MD 4 195 203 + N_AB42_21 CB_AB42_22 1 0.000000e+00 4.480220e-06 ; 3.192297e-01 -4.480220e-06 2.617351e-01 4.804998e-01 0.000485 0.000060 True native_MD 5 195 204 + N_AB42_21 CG_AB42_22 1 0.000000e+00 4.224751e-06 ; 3.176716e-01 -4.224751e-06 1.078392e-01 2.571081e-01 0.000485 0.000060 True native_MD 6 195 205 N_AB42_21 CD_AB42_22 1 5.664372e-04 5.297287e-07 ; 3.127161e-01 1.514223e-01 5.547141e-03 1.899090e-03 0.000485 0.002166 True native_MD 7 195 206 N_AB42_21 OE1_AB42_22 1 1.747479e-04 5.286661e-08 ; 2.590965e-01 1.444052e-01 6.647248e-03 3.202223e-03 0.000485 0.002166 True native_MD 7 195 207 N_AB42_21 OE2_AB42_22 1 1.747479e-04 5.286661e-08 ; 2.590965e-01 1.444052e-01 6.647248e-03 3.202223e-03 0.000485 0.002166 True native_MD 7 195 208 - N_AB42_21 C_AB42_22 1 0.000000e+00 1.548173e-06 ; 2.921774e-01 -1.548173e-06 7.592869e-02 1.024674e-01 0.000485 0.000060 True native_MD 5 195 209 + N_AB42_21 C_AB42_22 1 0.000000e+00 1.548151e-06 ; 2.921771e-01 -1.548151e-06 7.592869e-02 1.024674e-01 0.000485 0.000060 True native_MD 5 195 209 N_AB42_21 O_AB42_22 1 0.000000e+00 1.534569e-06 ; 2.919626e-01 -1.534569e-06 1.199477e-01 1.429940e-01 0.000485 0.000060 True native_MD 6 195 210 - N_AB42_21 N_AB42_23 1 0.000000e+00 9.469709e-07 ; 2.804506e-01 -9.469709e-07 3.735508e-02 1.192440e-01 0.000485 0.000060 True native_MD 6 195 211 + N_AB42_21 N_AB42_23 1 0.000000e+00 9.469610e-07 ; 2.804504e-01 -9.469610e-07 3.735508e-02 1.192440e-01 0.000485 0.000060 True native_MD 6 195 211 N_AB42_21 CA_AB42_23 1 2.975195e-03 2.757394e-05 ; 4.583148e-01 8.025498e-02 2.646819e-02 5.374277e-02 0.000485 0.001339 True native_MD 7 195 213 - N_AB42_21 CB_AB42_23 1 0.000000e+00 3.674129e-06 ; 3.139963e-01 -3.674129e-06 1.640005e-02 1.586877e-02 0.000485 0.000060 True native_MD 7 195 214 + N_AB42_21 CB_AB42_23 1 0.000000e+00 3.674080e-06 ; 3.139960e-01 -3.674080e-06 1.640005e-02 1.586877e-02 0.000485 0.000060 True native_MD 7 195 214 N_AB42_21 CG_AB42_23 1 5.380756e-04 7.060404e-07 ; 3.308753e-01 1.025173e-01 1.566087e-03 2.642499e-03 0.000485 0.002166 True native_MD 7 195 215 N_AB42_21 OD1_AB42_23 1 1.010512e-04 3.086489e-08 ; 2.595099e-01 8.270996e-02 3.289280e-03 1.004020e-02 0.000485 0.002166 True native_MD 7 195 216 N_AB42_21 OD2_AB42_23 1 1.010512e-04 3.086489e-08 ; 2.595099e-01 8.270996e-02 3.289280e-03 1.004020e-02 0.000485 0.002166 True native_MD 7 195 217 N_AB42_21 C_AB42_23 1 1.487106e-03 7.304453e-06 ; 4.122946e-01 7.568964e-02 5.751703e-04 1.333570e-03 0.000485 0.002166 True native_MD 7 195 218 N_AB42_21 O_AB42_23 1 6.522497e-04 1.338073e-06 ; 3.564602e-01 7.948551e-02 6.339634e-03 2.131133e-02 0.000485 0.002166 True native_MD 7 195 219 - N_AB42_21 N_AB42_24 1 0.000000e+00 8.751127e-07 ; 2.786123e-01 -8.751127e-07 6.159205e-04 4.088007e-04 0.000485 0.000060 True native_MD 7 195 220 + N_AB42_21 N_AB42_24 1 0.000000e+00 8.751035e-07 ; 2.786121e-01 -8.751035e-07 6.159205e-04 4.088007e-04 0.000485 0.000060 True native_MD 7 195 220 N_AB42_21 CA_AB42_24 1 3.670521e-03 2.641155e-05 ; 4.393841e-01 1.275268e-01 3.934853e-03 1.941547e-03 0.000485 0.001339 True native_MD 7 195 222 - N_AB42_21 CB_AB42_24 1 0.000000e+00 7.532981e-06 ; 3.333565e-01 -7.532981e-06 1.897099e-02 1.342458e-02 0.000485 0.000060 True native_MD 7 195 223 - N_AB42_21 CG1_AB42_24 1 0.000000e+00 2.749092e-06 ; 3.064979e-01 -2.749092e-06 8.126312e-03 1.037439e-02 0.000485 0.000060 True native_MD 7 195 224 - N_AB42_21 CG2_AB42_24 1 0.000000e+00 2.767815e-06 ; 3.066713e-01 -2.767815e-06 1.980539e-02 2.887907e-02 0.000485 0.000060 True native_MD 7 195 225 + N_AB42_21 CB_AB42_24 1 0.000000e+00 7.532969e-06 ; 3.333564e-01 -7.532969e-06 1.897099e-02 1.342458e-02 0.000485 0.000060 True native_MD 7 195 223 + N_AB42_21 CG1_AB42_24 1 0.000000e+00 2.749066e-06 ; 3.064976e-01 -2.749066e-06 8.126312e-03 1.037439e-02 0.000485 0.000060 True native_MD 7 195 224 + N_AB42_21 CG2_AB42_24 1 0.000000e+00 2.767788e-06 ; 3.066710e-01 -2.767788e-06 1.980539e-02 2.887907e-02 0.000485 0.000060 True native_MD 7 195 225 N_AB42_21 C_AB42_24 1 8.517976e-04 1.996740e-06 ; 3.644720e-01 9.084297e-02 9.051891e-04 2.819811e-04 0.000485 0.002166 True native_MD 7 195 226 N_AB42_21 O_AB42_24 1 9.926391e-05 3.063449e-08 ; 2.599580e-01 8.041039e-02 1.890694e-03 6.182259e-03 0.000485 0.002166 True native_MD 7 195 227 N_AB42_21 N_AB42_25 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 3.161487e-04 3.383686e-04 0.000485 0.000060 True native_MD 7 195 228 N_AB42_21 CA_AB42_25 1 1.452255e-03 6.503198e-06 ; 4.059888e-01 8.107717e-02 9.788613e-04 2.294198e-03 0.000485 0.001584 True native_MD 7 195 230 N_AB42_21 N_AB42_26 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.964673e-04 7.416420e-05 0.000485 0.000060 True native_MD 7 195 233 N_AB42_21 CA_AB42_26 1 3.666604e-03 2.291392e-05 ; 4.291798e-01 1.466792e-01 4.813091e-03 9.834220e-04 0.000485 0.001339 True native_MD 7 195 235 - N_AB42_21 CB_AB42_26 1 0.000000e+00 3.618710e-06 ; 3.135989e-01 -3.618710e-06 2.134281e-02 5.735970e-03 0.000485 0.000060 True native_MD 7 195 236 + N_AB42_21 CB_AB42_26 1 0.000000e+00 3.618662e-06 ; 3.135985e-01 -3.618662e-06 2.134281e-02 5.735970e-03 0.000485 0.000060 True native_MD 7 195 236 N_AB42_21 OG_AB42_26 1 2.632865e-04 1.072116e-07 ; 2.722506e-01 1.616424e-01 1.091907e-02 3.140259e-03 0.000485 0.002166 True native_MD 7 195 237 N_AB42_21 C_AB42_26 1 8.987705e-04 1.769838e-06 ; 3.540360e-01 1.141048e-01 1.815792e-03 1.070523e-04 0.000485 0.002166 True native_MD 7 195 238 N_AB42_21 O_AB42_26 1 1.401820e-04 3.700413e-08 ; 2.532754e-01 1.327622e-01 3.173582e-03 5.057182e-04 0.000485 0.002166 True native_MD 7 195 239 @@ -40490,9 +40490,9 @@ CE2_AB42_20 C_AB42_42 1 1.357245e-03 5.191422e-06 ; 3.954619e-01 8.870953 N_AB42_21 CA_AB42_28 1 2.480917e-03 9.181728e-06 ; 3.932953e-01 1.675868e-01 8.998160e-03 5.395785e-04 0.000485 0.001339 True native_MD 7 195 251 N_AB42_21 CB_AB42_28 1 1.215654e-03 3.637579e-06 ; 3.796066e-01 1.015658e-01 7.018649e-03 3.359210e-04 0.000485 0.000060 True native_MD 7 195 252 N_AB42_21 CG_AB42_28 1 1.051037e-03 3.310284e-06 ; 3.828611e-01 8.342783e-02 6.082152e-03 5.009260e-04 0.000485 0.000060 True native_MD 7 195 253 - N_AB42_21 CD_AB42_28 1 0.000000e+00 3.657978e-06 ; 3.138810e-01 -3.657978e-06 5.803592e-03 8.787416e-04 0.000485 0.000060 True native_MD 7 195 254 + N_AB42_21 CD_AB42_28 1 0.000000e+00 3.657929e-06 ; 3.138807e-01 -3.657929e-06 5.803592e-03 8.787416e-04 0.000485 0.000060 True native_MD 7 195 254 N_AB42_21 CE_AB42_28 1 1.212914e-03 4.876535e-06 ; 3.987618e-01 7.542037e-02 7.671558e-03 8.029162e-04 0.000485 0.000060 True native_MD 7 195 255 - N_AB42_21 NZ_AB42_28 1 0.000000e+00 8.734847e-07 ; 2.785691e-01 -8.734847e-07 2.590364e-03 5.232620e-04 0.000485 0.000060 True native_MD 7 195 256 + N_AB42_21 NZ_AB42_28 1 0.000000e+00 8.734755e-07 ; 2.785689e-01 -8.734755e-07 2.590364e-03 5.232620e-04 0.000485 0.000060 True native_MD 7 195 256 N_AB42_21 C_AB42_28 1 1.023770e-03 1.925614e-06 ; 3.513402e-01 1.360741e-01 3.504238e-03 1.385315e-04 0.000485 0.002166 True native_MD 7 195 257 N_AB42_21 O_AB42_28 1 2.518787e-04 9.724390e-08 ; 2.698434e-01 1.631024e-01 7.868120e-03 7.394070e-04 0.000485 0.002166 True native_MD 7 195 258 N_AB42_21 N_AB42_29 1 8.061518e-04 1.405279e-06 ; 3.469160e-01 1.156142e-01 1.899689e-03 4.281841e-05 0.000485 0.000060 True native_MD 7 195 259 @@ -40525,10 +40525,10 @@ CE2_AB42_20 C_AB42_42 1 1.357245e-03 5.191422e-06 ; 3.954619e-01 8.870953 N_AB42_21 O_AB42_33 1 1.087927e-03 2.830017e-06 ; 3.708500e-01 1.045563e-01 1.364480e-03 5.079963e-04 0.000485 0.002166 True native_MD 7 195 292 N_AB42_21 N_AB42_34 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.485124e-05 0.000000e+00 0.000485 0.000060 True native_MD 7 195 293 N_AB42_21 CA_AB42_34 1 2.089151e-03 1.111829e-05 ; 4.178413e-01 9.813901e-02 1.126065e-03 1.001701e-04 0.000485 0.001339 True native_MD 7 195 295 - N_AB42_21 CB_AB42_34 1 0.000000e+00 3.673332e-06 ; 3.139906e-01 -3.673332e-06 8.824494e-04 1.345716e-04 0.000485 0.000060 True native_MD 7 195 296 - N_AB42_21 CG_AB42_34 1 0.000000e+00 7.559536e-06 ; 3.334543e-01 -7.559536e-06 2.559226e-03 5.185141e-04 0.000485 0.000060 True native_MD 7 195 297 - N_AB42_21 CD1_AB42_34 1 0.000000e+00 2.736303e-06 ; 3.063788e-01 -2.736303e-06 2.892577e-03 4.778106e-04 0.000485 0.000060 True native_MD 7 195 298 - N_AB42_21 CD2_AB42_34 1 0.000000e+00 2.734686e-06 ; 3.063637e-01 -2.734686e-06 3.568407e-03 5.642979e-04 0.000485 0.000060 True native_MD 7 195 299 + N_AB42_21 CB_AB42_34 1 0.000000e+00 3.673284e-06 ; 3.139903e-01 -3.673284e-06 8.824494e-04 1.345716e-04 0.000485 0.000060 True native_MD 7 195 296 + N_AB42_21 CG_AB42_34 1 0.000000e+00 7.559525e-06 ; 3.334542e-01 -7.559525e-06 2.559226e-03 5.185141e-04 0.000485 0.000060 True native_MD 7 195 297 + N_AB42_21 CD1_AB42_34 1 0.000000e+00 2.736277e-06 ; 3.063785e-01 -2.736277e-06 2.892577e-03 4.778106e-04 0.000485 0.000060 True native_MD 7 195 298 + N_AB42_21 CD2_AB42_34 1 0.000000e+00 2.734660e-06 ; 3.063634e-01 -2.734660e-06 3.568407e-03 5.642979e-04 0.000485 0.000060 True native_MD 7 195 299 N_AB42_21 O_AB42_34 1 1.028913e-04 2.518904e-08 ; 2.501145e-01 1.050717e-01 1.385689e-03 1.033582e-04 0.000485 0.002166 True native_MD 7 195 301 N_AB42_21 N_AB42_35 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.905180e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 195 302 N_AB42_21 CA_AB42_35 1 3.016313e-03 1.482934e-05 ; 4.123578e-01 1.533808e-01 5.881967e-03 1.042353e-04 0.000485 0.001339 True native_MD 7 195 304 @@ -40581,7 +40581,7 @@ CE2_AB42_20 C_AB42_42 1 1.357245e-03 5.191422e-06 ; 3.954619e-01 8.870953 N_AB42_21 O1_AB42_42 1 1.280678e-04 5.818438e-08 ; 2.772646e-01 7.047144e-02 4.920139e-04 2.967264e-04 0.000485 0.002166 True native_MD 7 195 359 N_AB42_21 O2_AB42_42 1 1.280678e-04 5.818438e-08 ; 2.772646e-01 7.047144e-02 4.920139e-04 2.967264e-04 0.000485 0.002166 True native_MD 7 195 360 H_AB42_21 H_AB42_21 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 196 - H_AB42_21 O_AB42_21 1 0.000000e+00 1.231248e-08 ; 1.952947e-01 -1.231248e-08 4.097821e-01 2.033060e-01 0.000485 0.000060 True native_MD 4 196 200 + H_AB42_21 O_AB42_21 1 0.000000e+00 1.231267e-08 ; 1.952950e-01 -1.231267e-08 4.097821e-01 2.033060e-01 0.000485 0.000060 True native_MD 4 196 200 H_AB42_21 H_AB42_22 1 0.000000e+00 1.666806e-08 ; 2.002867e-01 -1.666806e-08 2.605681e-01 6.495732e-01 0.000485 0.000060 True native_MD 5 196 202 H_AB42_21 OE1_AB42_22 1 4.289116e-06 4.151978e-11 ; 1.459871e-01 1.107696e-01 1.643308e-03 1.436607e-05 0.000485 0.005316 True native_MD 7 196 207 H_AB42_21 OE2_AB42_22 1 4.289116e-06 4.151978e-11 ; 1.459871e-01 1.107696e-01 1.643308e-03 1.436607e-05 0.000485 0.005316 True native_MD 7 196 208 @@ -40631,15 +40631,15 @@ CE2_AB42_20 C_AB42_42 1 1.357245e-03 5.191422e-06 ; 3.954619e-01 8.870953 H_AB42_21 H_AB42_42 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 355 H_AB42_21 O1_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 359 H_AB42_21 O2_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 360 - CA_AB42_21 CB_AB42_22 1 0.000000e+00 3.181365e-05 ; 3.758773e-01 -3.181365e-05 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 197 204 - CA_AB42_21 CG_AB42_22 1 0.000000e+00 3.858117e-05 ; 3.819674e-01 -3.858117e-05 6.539705e-01 8.666943e-01 0.000485 0.000060 True native_MD 5 197 205 - CA_AB42_21 CD_AB42_22 1 0.000000e+00 1.267577e-05 ; 3.481311e-01 -1.267577e-05 7.919344e-02 5.037764e-02 0.000485 0.000060 True native_MD 6 197 206 + CA_AB42_21 CB_AB42_22 1 0.000000e+00 3.181352e-05 ; 3.758772e-01 -3.181352e-05 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 197 204 + CA_AB42_21 CG_AB42_22 1 0.000000e+00 3.858101e-05 ; 3.819673e-01 -3.858101e-05 6.539705e-01 8.666943e-01 0.000485 0.000060 True native_MD 5 197 205 + CA_AB42_21 CD_AB42_22 1 0.000000e+00 1.267570e-05 ; 3.481310e-01 -1.267570e-05 7.919344e-02 5.037764e-02 0.000485 0.000060 True native_MD 6 197 206 CA_AB42_21 OE1_AB42_22 1 9.054092e-04 1.531092e-06 ; 3.451645e-01 1.338531e-01 2.264665e-02 9.247174e-03 0.000485 0.001339 True native_MD 7 197 207 CA_AB42_21 OE2_AB42_22 1 9.054092e-04 1.531092e-06 ; 3.451645e-01 1.338531e-01 2.264665e-02 9.247174e-03 0.000485 0.001339 True native_MD 7 197 208 - CA_AB42_21 C_AB42_22 1 0.000000e+00 1.305183e-05 ; 3.489803e-01 -1.305183e-05 1.000000e+00 9.999974e-01 0.000485 0.000060 True native_MD 4 197 209 - CA_AB42_21 O_AB42_22 1 0.000000e+00 2.699119e-06 ; 3.060297e-01 -2.699119e-06 6.844381e-01 3.342811e-01 0.000485 0.000060 True native_MD 5 197 210 - CA_AB42_21 N_AB42_23 1 0.000000e+00 9.687480e-06 ; 3.404180e-01 -9.687480e-06 4.453515e-01 7.242276e-01 0.000485 0.000060 True native_MD 5 197 211 - CA_AB42_21 CA_AB42_23 1 0.000000e+00 8.155434e-05 ; 4.065515e-01 -8.155434e-05 4.643052e-01 7.083509e-01 0.000485 0.000060 True native_MD 6 197 213 + CA_AB42_21 C_AB42_22 1 0.000000e+00 1.305176e-05 ; 3.489802e-01 -1.305176e-05 1.000000e+00 9.999974e-01 0.000485 0.000060 True native_MD 4 197 209 + CA_AB42_21 O_AB42_22 1 0.000000e+00 2.699141e-06 ; 3.060299e-01 -2.699141e-06 6.844381e-01 3.342811e-01 0.000485 0.000060 True native_MD 5 197 210 + CA_AB42_21 N_AB42_23 1 0.000000e+00 9.687465e-06 ; 3.404180e-01 -9.687465e-06 4.453515e-01 7.242276e-01 0.000485 0.000060 True native_MD 5 197 211 + CA_AB42_21 CA_AB42_23 1 0.000000e+00 8.155494e-05 ; 4.065518e-01 -8.155494e-05 4.643052e-01 7.083509e-01 0.000485 0.000060 True native_MD 6 197 213 CA_AB42_21 CB_AB42_23 1 4.491931e-03 6.682277e-05 ; 4.959241e-01 7.548866e-02 1.673037e-01 2.987553e-01 0.000485 0.001021 True native_MD 7 197 214 CA_AB42_21 CG_AB42_23 1 2.559491e-03 2.176802e-05 ; 4.517979e-01 7.523647e-02 2.825967e-02 6.667780e-02 0.000485 0.001339 True native_MD 7 197 215 CA_AB42_21 OD1_AB42_23 1 4.895936e-04 8.071584e-07 ; 3.437061e-01 7.424250e-02 1.374236e-02 3.340456e-02 0.000485 0.001339 True native_MD 7 197 216 @@ -40647,15 +40647,15 @@ CE2_AB42_20 C_AB42_42 1 1.357245e-03 5.191422e-06 ; 3.954619e-01 8.870953 CA_AB42_21 C_AB42_23 1 3.750548e-03 4.408075e-05 ; 4.768250e-01 7.977750e-02 6.518769e-02 1.342646e-01 0.000485 0.001339 True native_MD 7 197 218 CA_AB42_21 O_AB42_23 1 1.473804e-03 6.680480e-06 ; 4.068129e-01 8.128521e-02 7.445532e-02 1.465907e-01 0.000485 0.001339 True native_MD 7 197 219 CA_AB42_21 N_AB42_24 1 1.716870e-03 9.995604e-06 ; 4.241426e-01 7.372351e-02 4.587582e-02 1.132575e-01 0.000485 0.001339 True native_MD 7 197 220 - CA_AB42_21 CA_AB42_24 1 0.000000e+00 7.250242e-05 ; 4.025851e-01 -7.250242e-05 6.560839e-02 1.715744e-01 0.000485 0.000883 True native_MD 7 197 222 - CA_AB42_21 CB_AB42_24 1 0.000000e+00 7.242433e-05 ; 4.025490e-01 -7.242433e-05 6.726473e-02 1.720395e-01 0.000485 0.000883 True native_MD 7 197 223 + CA_AB42_21 CA_AB42_24 1 0.000000e+00 7.250295e-05 ; 4.025854e-01 -7.250295e-05 6.560839e-02 1.715744e-01 0.000485 0.000883 True native_MD 7 197 222 + CA_AB42_21 CB_AB42_24 1 0.000000e+00 7.242486e-05 ; 4.025492e-01 -7.242486e-05 6.726473e-02 1.720395e-01 0.000485 0.000883 True native_MD 7 197 223 CA_AB42_21 CG1_AB42_24 1 1.202284e-03 4.241778e-06 ; 3.901727e-01 8.519341e-02 3.265487e-02 8.255533e-02 0.000485 0.001932 True native_MD 7 197 224 CA_AB42_21 CG2_AB42_24 1 1.075670e-03 3.371390e-06 ; 3.825501e-01 8.580030e-02 5.865537e-02 1.456188e-01 0.000485 0.001932 True native_MD 7 197 225 - CA_AB42_21 C_AB42_24 1 0.000000e+00 1.333308e-05 ; 3.496009e-01 -1.333308e-05 8.951341e-03 3.049722e-02 0.000485 0.001339 True native_MD 7 197 226 - CA_AB42_21 O_AB42_24 1 0.000000e+00 4.250823e-06 ; 3.178345e-01 -4.250823e-06 8.235518e-03 3.166841e-02 0.000485 0.001339 True native_MD 7 197 227 - CA_AB42_21 N_AB42_25 1 0.000000e+00 7.690388e-06 ; 3.339315e-01 -7.690388e-06 8.186826e-03 2.342031e-02 0.000485 0.001339 True native_MD 7 197 228 - CA_AB42_21 CA_AB42_25 1 0.000000e+00 3.254055e-05 ; 3.765856e-01 -3.254055e-05 9.826810e-03 3.267553e-02 0.000485 0.001021 True native_MD 7 197 230 - CA_AB42_21 C_AB42_25 1 0.000000e+00 1.312167e-05 ; 3.491356e-01 -1.312167e-05 2.277299e-03 7.625358e-03 0.000485 0.001339 True native_MD 7 197 231 + CA_AB42_21 C_AB42_24 1 0.000000e+00 1.333301e-05 ; 3.496007e-01 -1.333301e-05 8.951341e-03 3.049722e-02 0.000485 0.001339 True native_MD 7 197 226 + CA_AB42_21 O_AB42_24 1 0.000000e+00 4.250857e-06 ; 3.178347e-01 -4.250857e-06 8.235518e-03 3.166841e-02 0.000485 0.001339 True native_MD 7 197 227 + CA_AB42_21 N_AB42_25 1 0.000000e+00 7.690376e-06 ; 3.339314e-01 -7.690376e-06 8.186826e-03 2.342031e-02 0.000485 0.001339 True native_MD 7 197 228 + CA_AB42_21 CA_AB42_25 1 0.000000e+00 3.254042e-05 ; 3.765855e-01 -3.254042e-05 9.826810e-03 3.267553e-02 0.000485 0.001021 True native_MD 7 197 230 + CA_AB42_21 C_AB42_25 1 0.000000e+00 1.312160e-05 ; 3.491354e-01 -1.312160e-05 2.277299e-03 7.625358e-03 0.000485 0.001339 True native_MD 7 197 231 CA_AB42_21 N_AB42_26 1 3.130459e-03 2.344989e-05 ; 4.423392e-01 1.044757e-01 4.979415e-03 4.897626e-03 0.000485 0.001339 True native_MD 7 197 233 CA_AB42_21 CA_AB42_26 1 9.813005e-03 1.697886e-04 ; 5.085704e-01 1.417867e-01 1.176290e-01 2.497191e-02 0.000485 0.000883 True native_MD 7 197 235 CA_AB42_21 CB_AB42_26 1 2.428343e-03 1.042781e-05 ; 4.031629e-01 1.413732e-01 1.537008e-01 3.821264e-02 0.000485 0.001021 True native_MD 7 197 236 @@ -40767,67 +40767,67 @@ CE2_AB42_20 C_AB42_42 1 1.357245e-03 5.191422e-06 ; 3.954619e-01 8.870953 CA_AB42_21 C_AB42_42 1 2.832551e-03 2.201880e-05 ; 4.450779e-01 9.109652e-02 9.120836e-04 1.077268e-03 0.000485 0.001339 True native_MD 7 197 358 CA_AB42_21 O1_AB42_42 1 6.009817e-04 1.060608e-06 ; 3.476287e-01 8.513490e-02 7.630507e-04 6.693796e-04 0.000485 0.001339 True native_MD 7 197 359 CA_AB42_21 O2_AB42_42 1 6.009817e-04 1.060608e-06 ; 3.476287e-01 8.513490e-02 7.630507e-04 6.693796e-04 0.000485 0.001339 True native_MD 7 197 360 - CB_AB42_21 C_AB42_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 198 199 + CB_AB42_21 C_AB42_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 198 199 CB_AB42_21 O_AB42_21 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 198 200 - CB_AB42_21 N_AB42_22 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 198 201 - CB_AB42_21 CA_AB42_22 1 0.000000e+00 2.373783e-05 ; 3.668161e-01 -2.373783e-05 9.999999e-01 9.999963e-01 0.000485 0.000060 True native_MD 4 198 203 - CB_AB42_21 CB_AB42_22 1 0.000000e+00 1.194342e-05 ; 3.464089e-01 -1.194342e-05 4.902100e-01 5.269819e-01 0.000485 0.000060 True native_MD 5 198 204 - CB_AB42_21 CG_AB42_22 1 0.000000e+00 1.398849e-05 ; 3.510017e-01 -1.398849e-05 1.339542e-01 3.482533e-01 0.000485 0.000060 True native_MD 6 198 205 - CB_AB42_21 CD_AB42_22 1 0.000000e+00 4.699648e-06 ; 3.205042e-01 -4.699648e-06 1.874031e-02 1.314003e-02 0.000485 0.000060 True native_MD 7 198 206 + CB_AB42_21 N_AB42_22 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 198 201 + CB_AB42_21 CA_AB42_22 1 0.000000e+00 2.373781e-05 ; 3.668161e-01 -2.373781e-05 9.999999e-01 9.999963e-01 0.000485 0.000060 True native_MD 4 198 203 + CB_AB42_21 CB_AB42_22 1 0.000000e+00 1.194327e-05 ; 3.464086e-01 -1.194327e-05 4.902100e-01 5.269819e-01 0.000485 0.000060 True native_MD 5 198 204 + CB_AB42_21 CG_AB42_22 1 0.000000e+00 1.398833e-05 ; 3.510014e-01 -1.398833e-05 1.339542e-01 3.482533e-01 0.000485 0.000060 True native_MD 6 198 205 + CB_AB42_21 CD_AB42_22 1 0.000000e+00 4.699587e-06 ; 3.205039e-01 -4.699587e-06 1.874031e-02 1.314003e-02 0.000485 0.000060 True native_MD 7 198 206 CB_AB42_21 OE1_AB42_22 1 0.000000e+00 1.210959e-06 ; 2.862568e-01 -1.210959e-06 9.758932e-03 4.414725e-03 0.000485 0.000060 True native_MD 7 198 207 CB_AB42_21 OE2_AB42_22 1 0.000000e+00 1.210959e-06 ; 2.862568e-01 -1.210959e-06 9.758932e-03 4.414725e-03 0.000485 0.000060 True native_MD 7 198 208 - CB_AB42_21 C_AB42_22 1 0.000000e+00 3.385227e-06 ; 3.118607e-01 -3.385227e-06 5.168356e-01 2.331166e-01 0.000485 0.000060 True native_MD 5 198 209 + CB_AB42_21 C_AB42_22 1 0.000000e+00 3.385183e-06 ; 3.118604e-01 -3.385183e-06 5.168356e-01 2.331166e-01 0.000485 0.000060 True native_MD 5 198 209 CB_AB42_21 O_AB42_22 1 0.000000e+00 1.246801e-06 ; 2.869534e-01 -1.246801e-06 2.115828e-01 4.057714e-02 0.000485 0.000060 True native_MD 6 198 210 - CB_AB42_21 N_AB42_23 1 0.000000e+00 2.847142e-06 ; 3.073943e-01 -2.847142e-06 1.565046e-01 1.944989e-01 0.000485 0.000060 True native_MD 6 198 211 + CB_AB42_21 N_AB42_23 1 0.000000e+00 2.847115e-06 ; 3.073940e-01 -2.847115e-06 1.565046e-01 1.944989e-01 0.000485 0.000060 True native_MD 6 198 211 CB_AB42_21 CA_AB42_23 1 3.737856e-03 3.170978e-05 ; 4.516081e-01 1.101519e-01 1.674102e-01 2.005404e-01 0.000485 0.001932 True native_MD 7 198 213 CB_AB42_21 CB_AB42_23 1 2.165119e-03 1.057849e-05 ; 4.119302e-01 1.107848e-01 8.401105e-02 1.191640e-01 0.000485 0.002332 True native_MD 7 198 214 - CB_AB42_21 CG_AB42_23 1 0.000000e+00 4.804548e-06 ; 3.210944e-01 -4.804548e-06 2.910545e-02 4.570086e-02 0.000485 0.000060 True native_MD 7 198 215 + CB_AB42_21 CG_AB42_23 1 0.000000e+00 4.804485e-06 ; 3.210940e-01 -4.804485e-06 2.910545e-02 4.570086e-02 0.000485 0.000060 True native_MD 7 198 215 CB_AB42_21 OD1_AB42_23 1 0.000000e+00 1.230153e-06 ; 2.866322e-01 -1.230153e-06 1.617045e-02 2.659201e-02 0.000485 0.000060 True native_MD 7 198 216 CB_AB42_21 OD2_AB42_23 1 0.000000e+00 1.230153e-06 ; 2.866322e-01 -1.230153e-06 1.617045e-02 2.659201e-02 0.000485 0.000060 True native_MD 7 198 217 - CB_AB42_21 C_AB42_23 1 0.000000e+00 4.730727e-06 ; 3.206803e-01 -4.730727e-06 5.646200e-02 5.743767e-02 0.000485 0.000060 True native_MD 7 198 218 + CB_AB42_21 C_AB42_23 1 0.000000e+00 4.730665e-06 ; 3.206800e-01 -4.730665e-06 5.646200e-02 5.743767e-02 0.000485 0.000060 True native_MD 7 198 218 CB_AB42_21 O_AB42_23 1 4.718051e-04 5.087343e-07 ; 3.202246e-01 1.093891e-01 8.931626e-02 6.743774e-02 0.000485 0.001191 True native_MD 7 198 219 - CB_AB42_21 N_AB42_24 1 0.000000e+00 2.794181e-06 ; 3.069137e-01 -2.794181e-06 1.878131e-02 3.746740e-02 0.000485 0.000060 True native_MD 7 198 220 + CB_AB42_21 N_AB42_24 1 0.000000e+00 2.794154e-06 ; 3.069134e-01 -2.794154e-06 1.878131e-02 3.746740e-02 0.000485 0.000060 True native_MD 7 198 220 CB_AB42_21 CA_AB42_24 1 2.759179e-03 1.979649e-05 ; 4.391721e-01 9.614163e-02 3.892984e-02 7.092339e-02 0.000485 0.001932 True native_MD 7 198 222 CB_AB42_21 CB_AB42_24 1 1.295876e-03 4.385144e-06 ; 3.874688e-01 9.573776e-02 4.555365e-02 8.399995e-02 0.000485 0.001932 True native_MD 7 198 223 CB_AB42_21 CG1_AB42_24 1 1.212108e-03 2.952175e-06 ; 3.668035e-01 1.244172e-01 2.193039e-02 4.714390e-02 0.000485 0.005315 True native_MD 7 198 224 CB_AB42_21 CG2_AB42_24 1 8.101231e-04 1.299592e-06 ; 3.421443e-01 1.262511e-01 4.037548e-02 8.216048e-02 0.000485 0.005315 True native_MD 7 198 225 - CB_AB42_21 C_AB42_24 1 0.000000e+00 4.780701e-06 ; 3.209613e-01 -4.780701e-06 3.774787e-03 1.532448e-02 0.000485 0.000060 True native_MD 7 198 226 + CB_AB42_21 C_AB42_24 1 0.000000e+00 4.780638e-06 ; 3.209609e-01 -4.780638e-06 3.774787e-03 1.532448e-02 0.000485 0.000060 True native_MD 7 198 226 CB_AB42_21 O_AB42_24 1 0.000000e+00 1.524313e-06 ; 2.917995e-01 -1.524313e-06 3.426450e-03 1.693778e-02 0.000485 0.001191 True native_MD 7 198 227 - CB_AB42_21 N_AB42_25 1 0.000000e+00 2.759083e-06 ; 3.065905e-01 -2.759083e-06 2.359880e-03 8.250108e-03 0.000485 0.000060 True native_MD 7 198 228 - CB_AB42_21 CA_AB42_25 1 0.000000e+00 1.168175e-05 ; 3.457700e-01 -1.168175e-05 3.465954e-03 1.752316e-02 0.000485 0.002332 True native_MD 7 198 230 - CB_AB42_21 C_AB42_25 1 0.000000e+00 4.742038e-06 ; 3.207442e-01 -4.742038e-06 1.889337e-03 5.258361e-03 0.000485 0.000060 True native_MD 7 198 231 + CB_AB42_21 N_AB42_25 1 0.000000e+00 2.759057e-06 ; 3.065903e-01 -2.759057e-06 2.359880e-03 8.250108e-03 0.000485 0.000060 True native_MD 7 198 228 + CB_AB42_21 CA_AB42_25 1 0.000000e+00 1.168160e-05 ; 3.457697e-01 -1.168160e-05 3.465954e-03 1.752316e-02 0.000485 0.002332 True native_MD 7 198 230 + CB_AB42_21 C_AB42_25 1 0.000000e+00 4.741976e-06 ; 3.207438e-01 -4.741976e-06 1.889337e-03 5.258361e-03 0.000485 0.000060 True native_MD 7 198 231 CB_AB42_21 O_AB42_25 1 0.000000e+00 1.507678e-06 ; 2.915328e-01 -1.507678e-06 8.982391e-04 3.349225e-03 0.000485 0.001191 True native_MD 7 198 232 - CB_AB42_21 N_AB42_26 1 0.000000e+00 2.735779e-06 ; 3.063739e-01 -2.735779e-06 5.760750e-03 3.155070e-03 0.000485 0.000060 True native_MD 7 198 233 + CB_AB42_21 N_AB42_26 1 0.000000e+00 2.735753e-06 ; 3.063736e-01 -2.735753e-06 5.760750e-03 3.155070e-03 0.000485 0.000060 True native_MD 7 198 233 CB_AB42_21 CA_AB42_26 1 3.436253e-03 1.653105e-05 ; 4.108682e-01 1.785705e-01 1.139844e-01 1.762186e-02 0.000485 0.001932 True native_MD 7 198 235 CB_AB42_21 CB_AB42_26 1 1.055451e-03 1.579637e-06 ; 3.382101e-01 1.763025e-01 1.302087e-01 2.599779e-02 0.000485 0.002332 True native_MD 7 198 236 - CB_AB42_21 OG_AB42_26 1 0.000000e+00 1.966398e-06 ; 2.980581e-01 -1.966398e-06 6.948815e-02 1.627098e-02 0.000485 0.000060 True native_MD 7 198 237 + CB_AB42_21 OG_AB42_26 1 0.000000e+00 1.966376e-06 ; 2.980578e-01 -1.966376e-06 6.948815e-02 1.627098e-02 0.000485 0.000060 True native_MD 7 198 237 CB_AB42_21 C_AB42_26 1 6.603318e-04 1.130543e-06 ; 3.458763e-01 9.642231e-02 8.888222e-02 4.961881e-03 0.000485 0.000060 True native_MD 7 198 238 CB_AB42_21 O_AB42_26 1 5.431346e-04 3.947641e-07 ; 2.998507e-01 1.868174e-01 7.170302e-02 5.335815e-03 0.000485 0.001191 True native_MD 7 198 239 CB_AB42_21 N_AB42_27 1 6.867115e-04 1.123900e-06 ; 3.432882e-01 1.048965e-01 7.037640e-02 3.048755e-03 0.000485 0.000060 True native_MD 7 198 240 CB_AB42_21 CA_AB42_27 1 1.741997e-03 4.105408e-06 ; 3.647972e-01 1.847900e-01 9.511128e-02 1.220690e-02 0.000485 0.001932 True native_MD 7 198 242 CB_AB42_21 CB_AB42_27 1 2.071695e-03 5.830181e-06 ; 3.757446e-01 1.840390e-01 8.425889e-02 1.334641e-02 0.000485 0.002332 True native_MD 7 198 243 - CB_AB42_21 CG_AB42_27 1 0.000000e+00 4.292678e-06 ; 3.180942e-01 -4.292678e-06 1.052904e-01 1.357920e-02 0.000485 0.000060 True native_MD 7 198 244 + CB_AB42_21 CG_AB42_27 1 0.000000e+00 4.292622e-06 ; 3.180938e-01 -4.292622e-06 1.052904e-01 1.357920e-02 0.000485 0.000060 True native_MD 7 198 244 CB_AB42_21 OD1_AB42_27 1 5.595765e-04 4.551729e-07 ; 3.055293e-01 1.719819e-01 8.897905e-02 1.032199e-02 0.000485 0.001191 True native_MD 7 198 245 - CB_AB42_21 ND2_AB42_27 1 0.000000e+00 4.295581e-06 ; 3.181121e-01 -4.295581e-06 1.068731e-01 1.619888e-02 0.000485 0.000060 True native_MD 7 198 246 - CB_AB42_21 C_AB42_27 1 0.000000e+00 4.665217e-06 ; 3.203079e-01 -4.665217e-06 1.597590e-02 3.090310e-03 0.000485 0.000060 True native_MD 7 198 247 + CB_AB42_21 ND2_AB42_27 1 0.000000e+00 4.295572e-06 ; 3.181120e-01 -4.295572e-06 1.068731e-01 1.619888e-02 0.000485 0.000060 True native_MD 7 198 246 + CB_AB42_21 C_AB42_27 1 0.000000e+00 4.665156e-06 ; 3.203076e-01 -4.665156e-06 1.597590e-02 3.090310e-03 0.000485 0.000060 True native_MD 7 198 247 CB_AB42_21 O_AB42_27 1 4.215358e-04 3.637646e-07 ; 3.085539e-01 1.221205e-01 7.002483e-03 3.612095e-03 0.000485 0.001191 True native_MD 7 198 248 - CB_AB42_21 N_AB42_28 1 0.000000e+00 2.726368e-06 ; 3.062859e-01 -2.726368e-06 7.499468e-03 1.462780e-03 0.000485 0.000060 True native_MD 7 198 249 + CB_AB42_21 N_AB42_28 1 0.000000e+00 2.726342e-06 ; 3.062857e-01 -2.726342e-06 7.499468e-03 1.462780e-03 0.000485 0.000060 True native_MD 7 198 249 CB_AB42_21 CA_AB42_28 1 1.569532e-03 4.186709e-06 ; 3.724064e-01 1.470983e-01 1.750220e-02 6.939565e-03 0.000485 0.001932 True native_MD 7 198 251 CB_AB42_21 CB_AB42_28 1 1.415049e-03 3.365736e-06 ; 3.653576e-01 1.487315e-01 1.190246e-02 5.423318e-03 0.000485 0.002332 True native_MD 7 198 252 CB_AB42_21 CG_AB42_28 1 1.287479e-03 2.982540e-06 ; 3.637539e-01 1.389421e-01 1.102919e-02 6.735991e-03 0.000485 0.002332 True native_MD 7 198 253 CB_AB42_21 CD_AB42_28 1 1.630006e-03 5.035084e-06 ; 3.816245e-01 1.319204e-01 1.118184e-02 8.426158e-03 0.000485 0.002332 True native_MD 7 198 254 CB_AB42_21 CE_AB42_28 1 1.468866e-03 4.137694e-06 ; 3.758051e-01 1.303605e-01 1.137852e-02 8.984132e-03 0.000485 0.002332 True native_MD 7 198 255 - CB_AB42_21 NZ_AB42_28 1 0.000000e+00 2.743037e-06 ; 3.064415e-01 -2.743037e-06 4.800609e-03 4.840915e-03 0.000485 0.000060 True native_MD 7 198 256 - CB_AB42_21 C_AB42_28 1 0.000000e+00 4.683293e-06 ; 3.204111e-01 -4.683293e-06 1.199566e-02 2.934839e-03 0.000485 0.000060 True native_MD 7 198 257 + CB_AB42_21 NZ_AB42_28 1 0.000000e+00 2.743011e-06 ; 3.064413e-01 -2.743011e-06 4.800609e-03 4.840915e-03 0.000485 0.000060 True native_MD 7 198 256 + CB_AB42_21 C_AB42_28 1 0.000000e+00 4.683232e-06 ; 3.204108e-01 -4.683232e-06 1.199566e-02 2.934839e-03 0.000485 0.000060 True native_MD 7 198 257 CB_AB42_21 O_AB42_28 1 4.182612e-04 3.011903e-07 ; 2.993865e-01 1.452092e-01 1.034299e-02 2.673479e-03 0.000485 0.001191 True native_MD 7 198 258 - CB_AB42_21 N_AB42_29 1 0.000000e+00 2.724882e-06 ; 3.062720e-01 -2.724882e-06 9.589224e-03 3.010847e-03 0.000485 0.000060 True native_MD 7 198 259 + CB_AB42_21 N_AB42_29 1 0.000000e+00 2.724856e-06 ; 3.062718e-01 -2.724856e-06 9.589224e-03 3.010847e-03 0.000485 0.000060 True native_MD 7 198 259 CB_AB42_21 CA_AB42_29 1 1.143337e-03 2.175659e-06 ; 3.520217e-01 1.502095e-01 1.794187e-02 7.821429e-03 0.000485 0.002332 True native_MD 7 198 261 - CB_AB42_21 C_AB42_29 1 0.000000e+00 4.688062e-06 ; 3.204383e-01 -4.688062e-06 1.190523e-02 3.853391e-03 0.000485 0.000060 True native_MD 7 198 262 + CB_AB42_21 C_AB42_29 1 0.000000e+00 4.688000e-06 ; 3.204380e-01 -4.688000e-06 1.190523e-02 3.853391e-03 0.000485 0.000060 True native_MD 7 198 262 CB_AB42_21 O_AB42_29 1 4.947429e-04 4.664979e-07 ; 3.131447e-01 1.311745e-01 7.427991e-03 2.922176e-03 0.000485 0.001191 True native_MD 7 198 263 - CB_AB42_21 N_AB42_30 1 0.000000e+00 2.725666e-06 ; 3.062794e-01 -2.725666e-06 8.051493e-03 1.758834e-03 0.000485 0.000060 True native_MD 7 198 264 + CB_AB42_21 N_AB42_30 1 0.000000e+00 2.725640e-06 ; 3.062791e-01 -2.725640e-06 8.051493e-03 1.758834e-03 0.000485 0.000060 True native_MD 7 198 264 CB_AB42_21 CA_AB42_30 1 1.954179e-03 6.257036e-06 ; 3.839141e-01 1.525808e-01 2.098361e-02 7.060988e-03 0.000485 0.001932 True native_MD 7 198 266 CB_AB42_21 CB_AB42_30 1 1.267058e-03 2.184842e-06 ; 3.462879e-01 1.837015e-01 1.911081e-02 6.968845e-03 0.000485 0.005315 True native_MD 7 198 267 - CB_AB42_21 C_AB42_30 1 0.000000e+00 4.700878e-06 ; 3.205112e-01 -4.700878e-06 6.782405e-03 1.442365e-03 0.000485 0.000060 True native_MD 7 198 268 + CB_AB42_21 C_AB42_30 1 0.000000e+00 4.700817e-06 ; 3.205109e-01 -4.700817e-06 6.782405e-03 1.442365e-03 0.000485 0.000060 True native_MD 7 198 268 CB_AB42_21 O_AB42_30 1 5.091948e-04 4.302642e-07 ; 3.074741e-01 1.506513e-01 6.521775e-03 1.432412e-03 0.000485 0.001191 True native_MD 7 198 269 CB_AB42_21 N_AB42_31 1 6.698923e-04 1.500249e-06 ; 3.617093e-01 7.478022e-02 3.617173e-03 3.859009e-04 0.000485 0.000060 True native_MD 7 198 270 CB_AB42_21 CA_AB42_31 1 2.462915e-03 9.238190e-06 ; 3.941755e-01 1.641541e-01 1.270816e-02 3.024501e-03 0.000485 0.001932 True native_MD 7 198 272 @@ -40835,7 +40835,7 @@ CE2_AB42_20 C_AB42_42 1 1.357245e-03 5.191422e-06 ; 3.954619e-01 8.870953 CB_AB42_21 CG1_AB42_31 1 1.728296e-03 4.378957e-06 ; 3.692258e-01 1.705319e-01 1.686756e-02 4.002653e-03 0.000485 0.002332 True native_MD 7 198 274 CB_AB42_21 CG2_AB42_31 1 1.436151e-03 2.808196e-06 ; 3.536209e-01 1.836170e-01 1.453758e-02 3.874027e-03 0.000485 0.005315 True native_MD 7 198 275 CB_AB42_21 CD_AB42_31 1 1.372611e-03 2.506594e-06 ; 3.496145e-01 1.879104e-01 1.718920e-02 5.526312e-03 0.000485 0.005315 True native_MD 7 198 276 - CB_AB42_21 C_AB42_31 1 0.000000e+00 4.714486e-06 ; 3.205884e-01 -4.714486e-06 3.272402e-03 8.116524e-04 0.000485 0.000060 True native_MD 7 198 277 + CB_AB42_21 C_AB42_31 1 0.000000e+00 4.714424e-06 ; 3.205881e-01 -4.714424e-06 3.272402e-03 8.116524e-04 0.000485 0.000060 True native_MD 7 198 277 CB_AB42_21 O_AB42_31 1 4.190930e-04 3.892678e-07 ; 3.123607e-01 1.128008e-01 1.746298e-03 8.321324e-04 0.000485 0.001191 True native_MD 7 198 278 CB_AB42_21 N_AB42_32 1 5.362178e-04 1.009926e-06 ; 3.514186e-01 7.117591e-02 3.604747e-03 4.283761e-04 0.000485 0.000060 True native_MD 7 198 279 CB_AB42_21 CA_AB42_32 1 2.377628e-03 7.972726e-06 ; 3.868808e-01 1.772642e-01 1.414062e-02 2.273280e-03 0.000485 0.001932 True native_MD 7 198 281 @@ -40843,21 +40843,21 @@ CE2_AB42_20 C_AB42_42 1 1.357245e-03 5.191422e-06 ; 3.954619e-01 8.870953 CB_AB42_21 CG1_AB42_32 1 1.977081e-03 5.224751e-06 ; 3.718264e-01 1.870351e-01 2.256277e-02 3.267389e-03 0.000485 0.002332 True native_MD 7 198 283 CB_AB42_21 CG2_AB42_32 1 1.414983e-03 2.574623e-06 ; 3.494034e-01 1.944146e-01 2.008283e-02 3.216268e-03 0.000485 0.005315 True native_MD 7 198 284 CB_AB42_21 CD_AB42_32 1 1.332138e-03 2.219806e-06 ; 3.443190e-01 1.998588e-01 2.363644e-02 4.009378e-03 0.000485 0.005315 True native_MD 7 198 285 - CB_AB42_21 C_AB42_32 1 0.000000e+00 4.706373e-06 ; 3.205424e-01 -4.706373e-06 5.378450e-03 1.201111e-03 0.000485 0.000060 True native_MD 7 198 286 + CB_AB42_21 C_AB42_32 1 0.000000e+00 4.706312e-06 ; 3.205421e-01 -4.706312e-06 5.378450e-03 1.201111e-03 0.000485 0.000060 True native_MD 7 198 286 CB_AB42_21 O_AB42_32 1 3.963963e-04 2.619674e-07 ; 2.951343e-01 1.499519e-01 5.308330e-03 1.095830e-03 0.000485 0.001191 True native_MD 7 198 287 - CB_AB42_21 N_AB42_33 1 0.000000e+00 2.740357e-06 ; 3.064166e-01 -2.740357e-06 1.945971e-03 1.009497e-03 0.000485 0.000060 True native_MD 7 198 288 + CB_AB42_21 N_AB42_33 1 0.000000e+00 2.740332e-06 ; 3.064163e-01 -2.740332e-06 1.945971e-03 1.009497e-03 0.000485 0.000060 True native_MD 7 198 288 CB_AB42_21 CA_AB42_33 1 1.267036e-03 3.139177e-06 ; 3.678503e-01 1.278505e-01 3.843629e-03 3.271544e-03 0.000485 0.002332 True native_MD 7 198 290 - CB_AB42_21 C_AB42_33 1 0.000000e+00 4.718668e-06 ; 3.206121e-01 -4.718668e-06 2.845691e-03 1.269740e-03 0.000485 0.000060 True native_MD 7 198 291 + CB_AB42_21 C_AB42_33 1 0.000000e+00 4.718606e-06 ; 3.206118e-01 -4.718606e-06 2.845691e-03 1.269740e-03 0.000485 0.000060 True native_MD 7 198 291 CB_AB42_21 O_AB42_33 1 4.129941e-04 3.481452e-07 ; 3.073520e-01 1.224806e-01 2.725406e-03 1.390780e-03 0.000485 0.001191 True native_MD 7 198 292 - CB_AB42_21 N_AB42_34 1 0.000000e+00 2.740321e-06 ; 3.064162e-01 -2.740321e-06 1.399100e-03 4.492558e-04 0.000485 0.000060 True native_MD 7 198 293 + CB_AB42_21 N_AB42_34 1 0.000000e+00 2.740295e-06 ; 3.064160e-01 -2.740295e-06 1.399100e-03 4.492558e-04 0.000485 0.000060 True native_MD 7 198 293 CB_AB42_21 CA_AB42_34 1 1.783633e-03 5.333151e-06 ; 3.795594e-01 1.491307e-01 5.224459e-03 1.949245e-03 0.000485 0.001932 True native_MD 7 198 295 CB_AB42_21 CB_AB42_34 1 1.643253e-03 4.563022e-06 ; 3.749080e-01 1.479436e-01 4.998696e-03 1.671939e-03 0.000485 0.002332 True native_MD 7 198 296 CB_AB42_21 CG_AB42_34 1 3.414971e-03 1.934313e-05 ; 4.222049e-01 1.507257e-01 1.055046e-02 3.752903e-03 0.000485 0.001932 True native_MD 7 198 297 CB_AB42_21 CD1_AB42_34 1 1.383161e-03 2.841138e-06 ; 3.565359e-01 1.683423e-01 9.203916e-03 3.347441e-03 0.000485 0.005315 True native_MD 7 198 298 CB_AB42_21 CD2_AB42_34 1 1.146560e-03 2.029296e-06 ; 3.477962e-01 1.619526e-01 7.601985e-03 3.008299e-03 0.000485 0.005315 True native_MD 7 198 299 - CB_AB42_21 C_AB42_34 1 0.000000e+00 4.713981e-06 ; 3.205856e-01 -4.713981e-06 2.996132e-03 4.286015e-04 0.000485 0.000060 True native_MD 7 198 300 + CB_AB42_21 C_AB42_34 1 0.000000e+00 4.713920e-06 ; 3.205852e-01 -4.713920e-06 2.996132e-03 4.286015e-04 0.000485 0.000060 True native_MD 7 198 300 CB_AB42_21 O_AB42_34 1 3.013872e-04 1.742754e-07 ; 2.886369e-01 1.303027e-01 2.948385e-03 5.132450e-04 0.000485 0.001191 True native_MD 7 198 301 - CB_AB42_21 N_AB42_35 1 0.000000e+00 2.741129e-06 ; 3.064238e-01 -2.741129e-06 9.905906e-04 3.355569e-04 0.000485 0.000060 True native_MD 7 198 302 + CB_AB42_21 N_AB42_35 1 0.000000e+00 2.741104e-06 ; 3.064235e-01 -2.741104e-06 9.905906e-04 3.355569e-04 0.000485 0.000060 True native_MD 7 198 302 CB_AB42_21 CA_AB42_35 1 3.221351e-03 1.576526e-05 ; 4.120442e-01 1.645565e-01 8.218070e-03 1.476361e-03 0.000485 0.001932 True native_MD 7 198 304 CB_AB42_21 CB_AB42_35 1 1.314409e-03 2.608022e-06 ; 3.544841e-01 1.656111e-01 8.481569e-03 1.201429e-03 0.000485 0.002332 True native_MD 7 198 305 CB_AB42_21 CG_AB42_35 1 2.518958e-03 8.981425e-06 ; 3.908595e-01 1.766187e-01 1.179065e-02 1.702877e-03 0.000485 0.002332 True native_MD 7 198 306 @@ -40905,28 +40905,28 @@ CE2_AB42_20 C_AB42_42 1 1.357245e-03 5.191422e-06 ; 3.954619e-01 8.870953 CB_AB42_21 N_AB42_42 1 7.343592e-04 1.741667e-06 ; 3.651821e-01 7.740909e-02 5.345433e-03 5.271361e-04 0.000485 0.000060 True native_MD 7 198 354 CB_AB42_21 CA_AB42_42 1 2.234012e-03 7.500989e-06 ; 3.869654e-01 1.663384e-01 8.668196e-03 1.830401e-03 0.000485 0.001932 True native_MD 7 198 356 CB_AB42_21 CB_AB42_42 1 1.076803e-03 1.752237e-06 ; 3.429595e-01 1.654319e-01 8.436194e-03 9.941686e-04 0.000485 0.005315 True native_MD 7 198 357 - CB_AB42_21 C_AB42_42 1 0.000000e+00 4.727131e-06 ; 3.206600e-01 -4.727131e-06 1.142574e-03 1.357321e-03 0.000485 0.000060 True native_MD 7 198 358 - CB_AB42_21 O1_AB42_42 1 0.000000e+00 1.217384e-06 ; 2.863831e-01 -1.217384e-06 7.923307e-04 7.259929e-04 0.000485 0.000060 True native_MD 7 198 359 - CB_AB42_21 O2_AB42_42 1 0.000000e+00 1.217384e-06 ; 2.863831e-01 -1.217384e-06 7.923307e-04 7.259929e-04 0.000485 0.000060 True native_MD 7 198 360 - C_AB42_21 CB_AB42_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 204 - C_AB42_21 CG_AB42_22 1 0.000000e+00 6.332882e-06 ; 3.285704e-01 -6.332882e-06 9.997288e-01 9.995584e-01 0.000485 0.000060 True native_MD 4 199 205 - C_AB42_21 CD_AB42_22 1 0.000000e+00 2.449679e-06 ; 3.035667e-01 -2.449679e-06 1.860651e-01 1.287680e-01 0.000485 0.000060 True native_MD 5 199 206 - C_AB42_21 OE1_AB42_22 1 0.000000e+00 6.595172e-07 ; 2.721221e-01 -6.595172e-07 3.096192e-02 1.619621e-02 0.000485 0.000060 True native_MD 6 199 207 - C_AB42_21 OE2_AB42_22 1 0.000000e+00 6.595172e-07 ; 2.721221e-01 -6.595172e-07 3.096192e-02 1.619621e-02 0.000485 0.000060 True native_MD 6 199 208 - C_AB42_21 O_AB42_22 1 0.000000e+00 7.387300e-07 ; 2.747064e-01 -7.387300e-07 9.608458e-01 8.541723e-01 0.000485 0.000060 True native_MD 4 199 210 - C_AB42_21 N_AB42_23 1 0.000000e+00 1.537759e-06 ; 2.920131e-01 -1.537759e-06 9.548620e-01 9.744955e-01 0.000485 0.000060 True native_MD 4 199 211 - C_AB42_21 CA_AB42_23 1 0.000000e+00 1.383409e-05 ; 3.506772e-01 -1.383409e-05 8.164544e-01 8.763867e-01 0.000485 0.000060 True native_MD 5 199 213 - C_AB42_21 CB_AB42_23 1 0.000000e+00 7.058621e-06 ; 3.315545e-01 -7.058621e-06 1.453308e-01 2.597395e-01 0.000485 0.000060 True native_MD 6 199 214 + CB_AB42_21 C_AB42_42 1 0.000000e+00 4.727069e-06 ; 3.206597e-01 -4.727069e-06 1.142574e-03 1.357321e-03 0.000485 0.000060 True native_MD 7 198 358 + CB_AB42_21 O1_AB42_42 1 0.000000e+00 1.217385e-06 ; 2.863831e-01 -1.217385e-06 7.923307e-04 7.259929e-04 0.000485 0.000060 True native_MD 7 198 359 + CB_AB42_21 O2_AB42_42 1 0.000000e+00 1.217385e-06 ; 2.863831e-01 -1.217385e-06 7.923307e-04 7.259929e-04 0.000485 0.000060 True native_MD 7 198 360 + C_AB42_21 CB_AB42_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 204 + C_AB42_21 CG_AB42_22 1 0.000000e+00 6.332775e-06 ; 3.285699e-01 -6.332775e-06 9.997288e-01 9.995584e-01 0.000485 0.000060 True native_MD 4 199 205 + C_AB42_21 CD_AB42_22 1 0.000000e+00 2.449636e-06 ; 3.035662e-01 -2.449636e-06 1.860651e-01 1.287680e-01 0.000485 0.000060 True native_MD 5 199 206 + C_AB42_21 OE1_AB42_22 1 0.000000e+00 6.595143e-07 ; 2.721220e-01 -6.595143e-07 3.096192e-02 1.619621e-02 0.000485 0.000060 True native_MD 6 199 207 + C_AB42_21 OE2_AB42_22 1 0.000000e+00 6.595143e-07 ; 2.721220e-01 -6.595143e-07 3.096192e-02 1.619621e-02 0.000485 0.000060 True native_MD 6 199 208 + C_AB42_21 O_AB42_22 1 0.000000e+00 7.387266e-07 ; 2.747063e-01 -7.387266e-07 9.608458e-01 8.541723e-01 0.000485 0.000060 True native_MD 4 199 210 + C_AB42_21 N_AB42_23 1 0.000000e+00 1.537737e-06 ; 2.920128e-01 -1.537737e-06 9.548620e-01 9.744955e-01 0.000485 0.000060 True native_MD 4 199 211 + C_AB42_21 CA_AB42_23 1 0.000000e+00 1.383402e-05 ; 3.506771e-01 -1.383402e-05 8.164544e-01 8.763867e-01 0.000485 0.000060 True native_MD 5 199 213 + C_AB42_21 CB_AB42_23 1 0.000000e+00 7.058503e-06 ; 3.315541e-01 -7.058503e-06 1.453308e-01 2.597395e-01 0.000485 0.000060 True native_MD 6 199 214 C_AB42_21 CG_AB42_23 1 1.745849e-03 7.703132e-06 ; 4.049892e-01 9.892046e-02 3.041628e-02 5.715378e-02 0.000485 0.002166 True native_MD 7 199 215 C_AB42_21 OD1_AB42_23 1 3.455090e-04 3.716333e-07 ; 3.200928e-01 8.030528e-02 7.353387e-03 2.411990e-02 0.000485 0.002166 True native_MD 7 199 216 C_AB42_21 OD2_AB42_23 1 3.455090e-04 3.716333e-07 ; 3.200928e-01 8.030528e-02 7.353387e-03 2.411990e-02 0.000485 0.002166 True native_MD 7 199 217 - C_AB42_21 C_AB42_23 1 0.000000e+00 2.889883e-06 ; 3.077762e-01 -2.889883e-06 9.858944e-02 2.106947e-01 0.000485 0.000060 True native_MD 6 199 218 + C_AB42_21 C_AB42_23 1 0.000000e+00 2.889832e-06 ; 3.077757e-01 -2.889832e-06 9.858944e-02 2.106947e-01 0.000485 0.000060 True native_MD 6 199 218 C_AB42_21 O_AB42_23 1 7.358514e-04 1.444673e-06 ; 3.538587e-01 9.370237e-02 6.791282e-02 1.491832e-01 0.000485 0.002166 True native_MD 7 199 219 C_AB42_21 N_AB42_24 1 7.008688e-04 1.389266e-06 ; 3.544253e-01 8.839508e-02 5.297285e-02 1.363934e-01 0.000485 0.002166 True native_MD 7 199 220 C_AB42_21 CA_AB42_24 1 1.990366e-03 1.321214e-05 ; 4.335176e-01 7.496057e-02 6.085008e-02 1.447642e-01 0.000485 0.001339 True native_MD 7 199 222 - C_AB42_21 CB_AB42_24 1 0.000000e+00 1.388280e-05 ; 3.507799e-01 -1.388280e-05 6.233641e-02 1.260002e-01 0.000485 0.000060 True native_MD 7 199 223 - C_AB42_21 CG1_AB42_24 1 0.000000e+00 4.865128e-06 ; 3.214298e-01 -4.865128e-06 1.931344e-02 4.872708e-02 0.000485 0.000060 True native_MD 7 199 224 - C_AB42_21 CG2_AB42_24 1 0.000000e+00 5.015835e-06 ; 3.222480e-01 -5.015835e-06 5.061123e-02 1.119131e-01 0.000485 0.000060 True native_MD 7 199 225 + C_AB42_21 CB_AB42_24 1 0.000000e+00 1.388272e-05 ; 3.507798e-01 -1.388272e-05 6.233641e-02 1.260002e-01 0.000485 0.000060 True native_MD 7 199 223 + C_AB42_21 CG1_AB42_24 1 0.000000e+00 4.865064e-06 ; 3.214295e-01 -4.865064e-06 1.931344e-02 4.872708e-02 0.000485 0.000060 True native_MD 7 199 224 + C_AB42_21 CG2_AB42_24 1 0.000000e+00 5.015770e-06 ; 3.222477e-01 -5.015770e-06 5.061123e-02 1.119131e-01 0.000485 0.000060 True native_MD 7 199 225 C_AB42_21 C_AB42_24 1 2.018684e-03 1.069170e-05 ; 4.175063e-01 9.528622e-02 1.090819e-02 2.285202e-02 0.000485 0.002166 True native_MD 7 199 226 C_AB42_21 O_AB42_24 1 4.019397e-04 5.554461e-07 ; 3.337440e-01 7.271432e-02 7.777948e-03 3.201901e-02 0.000485 0.002166 True native_MD 7 199 227 C_AB42_21 N_AB42_25 1 7.511231e-04 1.562431e-06 ; 3.572851e-01 9.027375e-02 1.309310e-02 3.186883e-02 0.000485 0.002166 True native_MD 7 199 228 @@ -40935,13 +40935,13 @@ CE2_AB42_20 C_AB42_42 1 1.357245e-03 5.191422e-06 ; 3.954619e-01 8.870953 C_AB42_21 O_AB42_25 1 6.893396e-04 1.473491e-06 ; 3.589101e-01 8.062299e-02 7.265774e-04 2.360687e-03 0.000485 0.002166 True native_MD 7 199 232 C_AB42_21 N_AB42_26 1 1.272652e-03 3.093315e-06 ; 3.666788e-01 1.308986e-01 4.436418e-03 3.201609e-03 0.000485 0.002166 True native_MD 7 199 233 C_AB42_21 CA_AB42_26 1 3.727580e-03 2.608477e-05 ; 4.373475e-01 1.331702e-01 1.884119e-02 7.851950e-03 0.000485 0.001339 True native_MD 7 199 235 - C_AB42_21 CB_AB42_26 1 0.000000e+00 5.988202e-06 ; 3.270416e-01 -5.988202e-06 7.287363e-02 1.828552e-02 0.000485 0.000060 True native_MD 7 199 236 + C_AB42_21 CB_AB42_26 1 0.000000e+00 5.988102e-06 ; 3.270412e-01 -5.988102e-06 7.287363e-02 1.828552e-02 0.000485 0.000060 True native_MD 7 199 236 C_AB42_21 OG_AB42_26 1 7.386962e-04 8.509624e-07 ; 3.237731e-01 1.603103e-01 3.343834e-02 1.000761e-02 0.000485 0.002166 True native_MD 7 199 237 C_AB42_21 C_AB42_26 1 1.893497e-03 6.517929e-06 ; 3.885744e-01 1.375180e-01 3.658973e-03 5.790743e-04 0.000485 0.002166 True native_MD 7 199 238 C_AB42_21 O_AB42_26 1 8.146572e-04 1.139286e-06 ; 3.344077e-01 1.456320e-01 4.664602e-03 1.255724e-03 0.000485 0.002166 True native_MD 7 199 239 C_AB42_21 N_AB42_27 1 1.374532e-03 3.852344e-06 ; 3.754871e-01 1.226098e-01 2.342079e-03 6.307713e-04 0.000485 0.002166 True native_MD 7 199 240 C_AB42_21 CA_AB42_27 1 3.701952e-03 1.905030e-05 ; 4.155071e-01 1.798456e-01 3.034840e-02 3.128815e-03 0.000485 0.001339 True native_MD 7 199 242 - C_AB42_21 CB_AB42_27 1 0.000000e+00 6.197651e-06 ; 3.279799e-01 -6.197651e-06 2.667995e-02 5.159382e-03 0.000485 0.000060 True native_MD 7 199 243 + C_AB42_21 CB_AB42_27 1 0.000000e+00 6.197547e-06 ; 3.279795e-01 -6.197547e-06 2.667995e-02 5.159382e-03 0.000485 0.000060 True native_MD 7 199 243 C_AB42_21 CG_AB42_27 1 2.841346e-03 8.867904e-06 ; 3.822811e-01 2.275975e-01 8.872087e-02 3.544809e-03 0.000485 0.002166 True native_MD 7 199 244 C_AB42_21 OD1_AB42_27 1 1.098412e-03 1.426499e-06 ; 3.303069e-01 2.114458e-01 5.434373e-02 3.520834e-03 0.000485 0.002166 True native_MD 7 199 245 C_AB42_21 ND2_AB42_27 1 7.728331e-04 7.215391e-07 ; 3.126288e-01 2.069434e-01 1.047618e-01 7.766355e-03 0.000485 0.002166 True native_MD 7 199 246 @@ -40951,8 +40951,8 @@ CE2_AB42_20 C_AB42_42 1 1.357245e-03 5.191422e-06 ; 3.954619e-01 8.870953 C_AB42_21 CA_AB42_28 1 3.743374e-03 1.953692e-05 ; 4.164845e-01 1.793124e-01 1.278049e-02 9.531021e-04 0.000485 0.001339 True native_MD 7 199 251 C_AB42_21 CB_AB42_28 1 1.291038e-03 4.460267e-06 ; 3.888096e-01 9.342376e-02 1.323563e-02 8.082528e-04 0.000485 0.000060 True native_MD 7 199 252 C_AB42_21 CG_AB42_28 1 8.793600e-04 2.559428e-06 ; 3.778587e-01 7.553191e-02 1.531497e-02 1.597545e-03 0.000485 0.000060 True native_MD 7 199 253 - C_AB42_21 CD_AB42_28 1 0.000000e+00 6.232116e-06 ; 3.281315e-01 -6.232116e-06 1.838493e-02 2.305760e-03 0.000485 0.000060 True native_MD 7 199 254 - C_AB42_21 CE_AB42_28 1 0.000000e+00 6.208968e-06 ; 3.280298e-01 -6.208968e-06 2.275344e-02 3.019628e-03 0.000485 0.000060 True native_MD 7 199 255 + C_AB42_21 CD_AB42_28 1 0.000000e+00 6.232012e-06 ; 3.281311e-01 -6.232012e-06 1.838493e-02 2.305760e-03 0.000485 0.000060 True native_MD 7 199 254 + C_AB42_21 CE_AB42_28 1 0.000000e+00 6.208864e-06 ; 3.280293e-01 -6.208864e-06 2.275344e-02 3.019628e-03 0.000485 0.000060 True native_MD 7 199 255 C_AB42_21 NZ_AB42_28 1 1.129062e-03 1.723929e-06 ; 3.393389e-01 1.848656e-01 1.509108e-02 1.562881e-03 0.000485 0.002166 True native_MD 7 199 256 C_AB42_21 C_AB42_28 1 2.661233e-03 1.196163e-05 ; 4.062418e-01 1.480182e-01 5.009878e-03 1.072676e-04 0.000485 0.002166 True native_MD 7 199 257 C_AB42_21 O_AB42_28 1 8.237520e-04 1.112619e-06 ; 3.324745e-01 1.524707e-01 5.723936e-03 3.395318e-04 0.000485 0.002166 True native_MD 7 199 258 @@ -40969,8 +40969,8 @@ CE2_AB42_20 C_AB42_42 1 1.357245e-03 5.191422e-06 ; 3.954619e-01 8.870953 C_AB42_21 CA_AB42_31 1 4.114885e-03 2.466186e-05 ; 4.261979e-01 1.716444e-01 1.015989e-02 3.711296e-04 0.000485 0.001339 True native_MD 7 199 272 C_AB42_21 CB_AB42_31 1 1.430697e-03 5.747818e-06 ; 3.987119e-01 8.902917e-02 1.388657e-02 9.671917e-04 0.000485 0.000060 True native_MD 7 199 273 C_AB42_21 CG1_AB42_31 1 7.642417e-04 1.898837e-06 ; 3.680240e-01 7.689776e-02 1.072658e-02 1.074105e-03 0.000485 0.000060 True native_MD 7 199 274 - C_AB42_21 CG2_AB42_31 1 0.000000e+00 4.682308e-06 ; 3.204055e-01 -4.682308e-06 1.069450e-02 1.425321e-03 0.000485 0.000060 True native_MD 7 199 275 - C_AB42_21 CD_AB42_31 1 0.000000e+00 4.677523e-06 ; 3.203782e-01 -4.677523e-06 1.309324e-02 2.811471e-03 0.000485 0.000060 True native_MD 7 199 276 + C_AB42_21 CG2_AB42_31 1 0.000000e+00 4.682247e-06 ; 3.204052e-01 -4.682247e-06 1.069450e-02 1.425321e-03 0.000485 0.000060 True native_MD 7 199 275 + C_AB42_21 CD_AB42_31 1 0.000000e+00 4.677462e-06 ; 3.203779e-01 -4.677462e-06 1.309324e-02 2.811471e-03 0.000485 0.000060 True native_MD 7 199 276 C_AB42_21 C_AB42_31 1 2.520205e-03 1.378074e-05 ; 4.197327e-01 1.152230e-01 1.877580e-03 1.938628e-07 0.000485 0.002166 True native_MD 7 199 277 C_AB42_21 O_AB42_31 1 5.425063e-04 8.509268e-07 ; 3.408641e-01 8.646837e-02 7.941163e-04 5.862178e-05 0.000485 0.002166 True native_MD 7 199 278 C_AB42_21 N_AB42_32 1 1.321448e-03 3.013281e-06 ; 3.627980e-01 1.448775e-01 4.560448e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 199 279 @@ -40985,10 +40985,10 @@ CE2_AB42_20 C_AB42_42 1 1.357245e-03 5.191422e-06 ; 3.954619e-01 8.870953 C_AB42_21 C_AB42_33 1 1.637715e-03 6.312290e-06 ; 3.959662e-01 1.062258e-01 1.434381e-03 1.153736e-04 0.000485 0.002166 True native_MD 7 199 291 C_AB42_21 O_AB42_33 1 5.574670e-04 7.074879e-07 ; 3.290410e-01 1.098144e-01 1.596999e-03 3.745673e-04 0.000485 0.002166 True native_MD 7 199 292 C_AB42_21 CA_AB42_34 1 3.625218e-03 2.692293e-05 ; 4.417040e-01 1.220355e-01 2.302172e-03 1.970844e-04 0.000485 0.001339 True native_MD 7 199 295 - C_AB42_21 CB_AB42_34 1 0.000000e+00 6.330228e-06 ; 3.285589e-01 -6.330228e-06 7.492854e-04 1.599353e-04 0.000485 0.000060 True native_MD 7 199 296 - C_AB42_21 CG_AB42_34 1 0.000000e+00 1.301184e-05 ; 3.488911e-01 -1.301184e-05 3.850557e-03 7.843185e-04 0.000485 0.000060 True native_MD 7 199 297 - C_AB42_21 CD1_AB42_34 1 0.000000e+00 4.709929e-06 ; 3.205626e-01 -4.709929e-06 4.264935e-03 8.399908e-04 0.000485 0.000060 True native_MD 7 199 298 - C_AB42_21 CD2_AB42_34 1 0.000000e+00 4.708317e-06 ; 3.205535e-01 -4.708317e-06 4.646959e-03 8.810002e-04 0.000485 0.000060 True native_MD 7 199 299 + C_AB42_21 CB_AB42_34 1 0.000000e+00 6.330122e-06 ; 3.285585e-01 -6.330122e-06 7.492854e-04 1.599353e-04 0.000485 0.000060 True native_MD 7 199 296 + C_AB42_21 CG_AB42_34 1 0.000000e+00 1.301178e-05 ; 3.488910e-01 -1.301178e-05 3.850557e-03 7.843185e-04 0.000485 0.000060 True native_MD 7 199 297 + C_AB42_21 CD1_AB42_34 1 0.000000e+00 4.709867e-06 ; 3.205623e-01 -4.709867e-06 4.264935e-03 8.399908e-04 0.000485 0.000060 True native_MD 7 199 298 + C_AB42_21 CD2_AB42_34 1 0.000000e+00 4.708256e-06 ; 3.205531e-01 -4.708256e-06 4.646959e-03 8.810002e-04 0.000485 0.000060 True native_MD 7 199 299 C_AB42_21 CA_AB42_35 1 2.675873e-03 1.352742e-05 ; 4.142777e-01 1.323294e-01 3.132737e-03 2.219460e-04 0.000485 0.001339 True native_MD 7 199 304 C_AB42_21 CB_AB42_35 1 1.114293e-03 3.251620e-06 ; 3.780217e-01 9.546390e-02 3.800123e-03 2.183158e-04 0.000485 0.000060 True native_MD 7 199 305 C_AB42_21 CG_AB42_35 1 1.066781e-03 3.425030e-06 ; 3.840887e-01 8.306648e-02 4.854103e-03 4.041305e-04 0.000485 0.000060 True native_MD 7 199 306 @@ -41037,16 +41037,16 @@ CE2_AB42_20 C_AB42_42 1 1.357245e-03 5.191422e-06 ; 3.954619e-01 8.870953 C_AB42_21 CB_AB42_42 1 1.115095e-03 3.564385e-06 ; 3.838063e-01 8.721264e-02 3.564202e-03 2.621131e-04 0.000485 0.000060 True native_MD 7 199 357 O_AB42_21 O_AB42_21 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 200 O_AB42_21 H_AB42_22 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 202 - O_AB42_21 CB_AB42_22 1 0.000000e+00 2.015629e-06 ; 2.986729e-01 -2.015629e-06 9.999961e-01 9.999826e-01 0.000485 0.000060 True native_MD 4 200 204 - O_AB42_21 CG_AB42_22 1 0.000000e+00 2.407986e-06 ; 3.031327e-01 -2.407986e-06 4.226214e-01 6.172625e-01 0.000485 0.000060 True native_MD 5 200 205 - O_AB42_21 CD_AB42_22 1 0.000000e+00 8.066614e-07 ; 2.767277e-01 -8.066614e-07 6.027666e-02 3.575084e-02 0.000485 0.000060 True native_MD 6 200 206 + O_AB42_21 CB_AB42_22 1 0.000000e+00 2.015622e-06 ; 2.986729e-01 -2.015622e-06 9.999961e-01 9.999826e-01 0.000485 0.000060 True native_MD 4 200 204 + O_AB42_21 CG_AB42_22 1 0.000000e+00 2.407977e-06 ; 3.031326e-01 -2.407977e-06 4.226214e-01 6.172625e-01 0.000485 0.000060 True native_MD 5 200 205 + O_AB42_21 CD_AB42_22 1 0.000000e+00 8.066577e-07 ; 2.767276e-01 -8.066577e-07 6.027666e-02 3.575084e-02 0.000485 0.000060 True native_MD 6 200 206 O_AB42_21 OE1_AB42_22 1 0.000000e+00 1.442064e-06 ; 2.904538e-01 -1.442064e-06 7.965070e-02 4.102639e-02 0.000485 0.000060 True native_MD 7 200 207 O_AB42_21 OE2_AB42_22 1 0.000000e+00 1.442064e-06 ; 2.904538e-01 -1.442064e-06 7.965070e-02 4.102639e-02 0.000485 0.000060 True native_MD 7 200 208 - O_AB42_21 C_AB42_22 1 0.000000e+00 8.226210e-07 ; 2.771798e-01 -8.226210e-07 9.997632e-01 9.945369e-01 0.000485 0.000060 True native_MD 4 200 209 + O_AB42_21 C_AB42_22 1 0.000000e+00 8.226172e-07 ; 2.771797e-01 -8.226172e-07 9.997632e-01 9.945369e-01 0.000485 0.000060 True native_MD 4 200 209 O_AB42_21 O_AB42_22 1 0.000000e+00 1.396816e-06 ; 2.896832e-01 -1.396816e-06 8.977559e-01 8.289669e-01 0.000485 0.000060 True native_MD 5 200 210 O_AB42_21 N_AB42_23 1 0.000000e+00 1.532978e-06 ; 2.919373e-01 -1.532978e-06 8.714148e-01 8.933999e-01 0.000485 0.000060 True native_MD 5 200 211 - O_AB42_21 H_AB42_23 1 0.000000e+00 1.649398e-08 ; 2.001115e-01 -1.649398e-08 1.208767e-01 1.838937e-01 0.000485 0.000060 True native_MD 6 200 212 - O_AB42_21 CA_AB42_23 1 0.000000e+00 4.193698e-06 ; 3.174764e-01 -4.193698e-06 5.832873e-01 5.929667e-01 0.000485 0.000060 True native_MD 6 200 213 + O_AB42_21 H_AB42_23 1 0.000000e+00 1.649424e-08 ; 2.001118e-01 -1.649424e-08 1.208767e-01 1.838937e-01 0.000485 0.000060 True native_MD 6 200 212 + O_AB42_21 CA_AB42_23 1 0.000000e+00 4.193731e-06 ; 3.174766e-01 -4.193731e-06 5.832873e-01 5.929667e-01 0.000485 0.000060 True native_MD 6 200 213 O_AB42_21 CB_AB42_23 1 1.077019e-03 2.813456e-06 ; 3.711101e-01 1.030735e-01 1.094186e-01 9.980364e-02 0.000485 0.001191 True native_MD 7 200 214 O_AB42_21 CG_AB42_23 1 1.109506e-03 2.226407e-06 ; 3.551505e-01 1.382276e-01 1.114720e-01 6.460326e-02 0.000485 0.002166 True native_MD 7 200 215 O_AB42_21 OD1_AB42_23 1 0.000000e+00 1.348661e-06 ; 2.888375e-01 -1.348661e-06 1.915221e-01 9.062976e-02 0.000485 0.000060 True native_MD 7 200 216 @@ -41189,31 +41189,31 @@ CE2_AB42_20 C_AB42_42 1 1.357245e-03 5.191422e-06 ; 3.954619e-01 8.870953 O_AB42_21 CB_AB42_42 1 6.129677e-04 7.193310e-07 ; 3.247745e-01 1.305829e-01 2.973215e-03 3.914965e-04 0.000485 0.001191 True native_MD 7 200 357 O_AB42_21 O1_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 359 O_AB42_21 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 360 - N_AB42_22 CB_AB42_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 201 204 - N_AB42_22 CG_AB42_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 201 205 - N_AB42_22 CD_AB42_22 1 0.000000e+00 1.613326e-06 ; 2.931828e-01 -1.613326e-06 6.967967e-01 7.665361e-01 0.000485 0.000060 True native_MD 4 201 206 + N_AB42_22 CB_AB42_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 201 204 + N_AB42_22 CG_AB42_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 201 205 + N_AB42_22 CD_AB42_22 1 0.000000e+00 1.613303e-06 ; 2.931825e-01 -1.613303e-06 6.967967e-01 7.665361e-01 0.000485 0.000060 True native_MD 4 201 206 N_AB42_22 OE1_AB42_22 1 0.000000e+00 1.437101e-06 ; 2.903704e-01 -1.437101e-06 2.162436e-01 1.743112e-01 0.000485 0.000060 True native_MD 5 201 207 N_AB42_22 OE2_AB42_22 1 0.000000e+00 1.437101e-06 ; 2.903704e-01 -1.437101e-06 2.162436e-01 1.743112e-01 0.000485 0.000060 True native_MD 5 201 208 - N_AB42_22 CA_AB42_23 1 0.000000e+00 7.574649e-06 ; 3.335098e-01 -7.574649e-06 1.000000e+00 9.999544e-01 0.000485 0.000060 True native_MD 4 201 213 - N_AB42_22 CB_AB42_23 1 0.000000e+00 4.380295e-06 ; 3.186302e-01 -4.380295e-06 2.396646e-01 4.312310e-01 0.000485 0.000060 True native_MD 5 201 214 - N_AB42_22 CG_AB42_23 1 0.000000e+00 1.523036e-06 ; 2.917791e-01 -1.523036e-06 2.646651e-02 3.633774e-02 0.000485 0.000060 True native_MD 6 201 215 + N_AB42_22 CA_AB42_23 1 0.000000e+00 7.574638e-06 ; 3.335097e-01 -7.574638e-06 1.000000e+00 9.999544e-01 0.000485 0.000060 True native_MD 4 201 213 + N_AB42_22 CB_AB42_23 1 0.000000e+00 4.380238e-06 ; 3.186299e-01 -4.380238e-06 2.396646e-01 4.312310e-01 0.000485 0.000060 True native_MD 5 201 214 + N_AB42_22 CG_AB42_23 1 0.000000e+00 1.523015e-06 ; 2.917788e-01 -1.523015e-06 2.646651e-02 3.633774e-02 0.000485 0.000060 True native_MD 6 201 215 N_AB42_22 OD1_AB42_23 1 4.182059e-04 4.581154e-07 ; 3.210683e-01 9.544331e-02 3.093304e-02 6.450197e-02 0.000485 0.002166 True native_MD 7 201 216 N_AB42_22 OD2_AB42_23 1 4.182059e-04 4.581154e-07 ; 3.210683e-01 9.544331e-02 3.093304e-02 6.450197e-02 0.000485 0.002166 True native_MD 7 201 217 - N_AB42_22 C_AB42_23 1 0.000000e+00 1.547251e-06 ; 2.921629e-01 -1.547251e-06 8.853183e-02 1.144592e-01 0.000485 0.000060 True native_MD 5 201 218 + N_AB42_22 C_AB42_23 1 0.000000e+00 1.547229e-06 ; 2.921626e-01 -1.547229e-06 8.853183e-02 1.144592e-01 0.000485 0.000060 True native_MD 5 201 218 N_AB42_22 O_AB42_23 1 0.000000e+00 1.598355e-06 ; 2.929551e-01 -1.598355e-06 1.330028e-01 1.985725e-01 0.000485 0.000060 True native_MD 6 201 219 - N_AB42_22 N_AB42_24 1 0.000000e+00 8.971891e-07 ; 2.791914e-01 -8.971891e-07 3.079983e-02 5.581440e-02 0.000485 0.000060 True native_MD 6 201 220 + N_AB42_22 N_AB42_24 1 0.000000e+00 8.971797e-07 ; 2.791911e-01 -8.971797e-07 3.079983e-02 5.581440e-02 0.000485 0.000060 True native_MD 6 201 220 N_AB42_22 CA_AB42_24 1 4.014785e-03 4.142923e-05 ; 4.665957e-01 9.726527e-02 1.693195e-02 2.066454e-02 0.000485 0.001339 True native_MD 7 201 222 - N_AB42_22 CB_AB42_24 1 0.000000e+00 7.573701e-06 ; 3.335063e-01 -7.573701e-06 1.640329e-02 1.623250e-02 0.000485 0.000060 True native_MD 7 201 223 - N_AB42_22 CG1_AB42_24 1 0.000000e+00 2.742922e-06 ; 3.064405e-01 -2.742922e-06 9.695997e-03 9.694508e-03 0.000485 0.000060 True native_MD 7 201 224 - N_AB42_22 CG2_AB42_24 1 0.000000e+00 2.774407e-06 ; 3.067321e-01 -2.774407e-06 1.611752e-02 2.759450e-02 0.000485 0.000060 True native_MD 7 201 225 + N_AB42_22 CB_AB42_24 1 0.000000e+00 7.573689e-06 ; 3.335062e-01 -7.573689e-06 1.640329e-02 1.623250e-02 0.000485 0.000060 True native_MD 7 201 223 + N_AB42_22 CG1_AB42_24 1 0.000000e+00 2.742896e-06 ; 3.064402e-01 -2.742896e-06 9.695997e-03 9.694508e-03 0.000485 0.000060 True native_MD 7 201 224 + N_AB42_22 CG2_AB42_24 1 0.000000e+00 2.774380e-06 ; 3.067318e-01 -2.774380e-06 1.611752e-02 2.759450e-02 0.000485 0.000060 True native_MD 7 201 225 N_AB42_22 O_AB42_24 1 0.000000e+00 1.518302e-06 ; 2.917034e-01 -1.518302e-06 2.583327e-03 1.478441e-02 0.000485 0.002166 True native_MD 7 201 227 - N_AB42_22 N_AB42_25 1 0.000000e+00 8.760506e-07 ; 2.786372e-01 -8.760506e-07 2.307161e-03 3.171550e-03 0.000485 0.000060 True native_MD 7 201 228 + N_AB42_22 N_AB42_25 1 0.000000e+00 8.760414e-07 ; 2.786370e-01 -8.760414e-07 2.307161e-03 3.171550e-03 0.000485 0.000060 True native_MD 7 201 228 N_AB42_22 CA_AB42_25 1 2.052662e-03 1.046597e-05 ; 4.148684e-01 1.006458e-01 5.532113e-03 7.218953e-03 0.000485 0.001584 True native_MD 7 201 230 N_AB42_22 C_AB42_25 1 1.144812e-03 4.533084e-06 ; 3.977498e-01 7.227943e-02 5.193680e-04 2.661181e-04 0.000485 0.002166 True native_MD 7 201 231 N_AB42_22 O_AB42_25 1 5.425129e-04 7.448561e-07 ; 3.333832e-01 9.878425e-02 1.148020e-03 1.304639e-03 0.000485 0.002166 True native_MD 7 201 232 N_AB42_22 N_AB42_26 1 6.896843e-04 1.601536e-06 ; 3.638992e-01 7.425129e-02 6.528314e-04 7.075903e-05 0.000485 0.000060 True native_MD 7 201 233 N_AB42_22 CA_AB42_26 1 3.539931e-03 1.925438e-05 ; 4.193621e-01 1.627046e-01 7.775019e-03 1.327295e-03 0.000485 0.001339 True native_MD 7 201 235 - N_AB42_22 CB_AB42_26 1 0.000000e+00 3.538961e-06 ; 3.130170e-01 -3.538961e-06 4.292545e-02 5.624692e-03 0.000485 0.000060 True native_MD 7 201 236 + N_AB42_22 CB_AB42_26 1 0.000000e+00 3.538914e-06 ; 3.130167e-01 -3.538914e-06 4.292545e-02 5.624692e-03 0.000485 0.000060 True native_MD 7 201 236 N_AB42_22 OG_AB42_26 1 4.501907e-04 2.841588e-07 ; 2.928830e-01 1.783084e-01 1.917717e-02 3.349351e-03 0.000485 0.002166 True native_MD 7 201 237 N_AB42_22 C_AB42_26 1 9.031665e-04 1.775355e-06 ; 3.539318e-01 1.148657e-01 1.857611e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 201 238 N_AB42_22 O_AB42_26 1 2.186697e-04 7.487265e-08 ; 2.644980e-01 1.596592e-01 7.097749e-03 4.758234e-04 0.000485 0.002166 True native_MD 7 201 239 @@ -41248,7 +41248,7 @@ CE2_AB42_20 C_AB42_42 1 1.357245e-03 5.191422e-06 ; 3.954619e-01 8.870953 N_AB42_22 CB_AB42_31 1 1.162714e-03 3.210099e-06 ; 3.745481e-01 1.052853e-01 6.692484e-03 2.865695e-04 0.000485 0.000060 True native_MD 7 201 273 N_AB42_22 CG1_AB42_31 1 1.391813e-03 4.521081e-06 ; 3.848371e-01 1.071173e-01 5.393933e-03 2.186442e-04 0.000485 0.000060 True native_MD 7 201 274 N_AB42_22 CG2_AB42_31 1 4.971694e-04 6.970531e-07 ; 3.345494e-01 8.865085e-02 5.984748e-03 4.215804e-04 0.000485 0.000060 True native_MD 7 201 275 - N_AB42_22 CD_AB42_31 1 0.000000e+00 2.721192e-06 ; 3.062374e-01 -2.721192e-06 9.163483e-03 1.239743e-03 0.000485 0.000060 True native_MD 7 201 276 + N_AB42_22 CD_AB42_31 1 0.000000e+00 2.721166e-06 ; 3.062372e-01 -2.721166e-06 9.163483e-03 1.239743e-03 0.000485 0.000060 True native_MD 7 201 276 N_AB42_22 N_AB42_32 1 5.854701e-04 1.141539e-06 ; 3.534525e-01 7.506863e-02 5.645799e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 201 279 N_AB42_22 CA_AB42_32 1 3.684137e-03 2.432579e-05 ; 4.331336e-01 1.394905e-01 3.881461e-03 0.000000e+00 0.000485 0.001339 True native_MD 7 201 281 N_AB42_22 CB_AB42_32 1 3.486395e-03 1.847138e-05 ; 4.175295e-01 1.645105e-01 1.805340e-02 1.313623e-04 0.000485 0.000060 True native_MD 7 201 282 @@ -41317,9 +41317,9 @@ CE2_AB42_20 C_AB42_42 1 1.357245e-03 5.191422e-06 ; 3.954619e-01 8.870953 N_AB42_22 CA_AB42_42 1 2.433395e-03 1.183043e-05 ; 4.115899e-01 1.251309e-01 2.525621e-03 4.480649e-05 0.000485 0.001339 True native_MD 7 201 356 N_AB42_22 CB_AB42_42 1 8.256570e-04 1.408793e-06 ; 3.456803e-01 1.209740e-01 2.230191e-03 9.858753e-06 0.000485 0.000060 True native_MD 7 201 357 H_AB42_22 H_AB42_22 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 202 - H_AB42_22 OE1_AB42_22 1 0.000000e+00 1.238324e-08 ; 1.953880e-01 -1.238324e-08 1.699752e-02 2.908519e-03 0.000485 0.000060 True native_MD 6 202 207 - H_AB42_22 OE2_AB42_22 1 0.000000e+00 1.238324e-08 ; 1.953880e-01 -1.238324e-08 1.699752e-02 2.908519e-03 0.000485 0.000060 True native_MD 6 202 208 - H_AB42_22 O_AB42_22 1 0.000000e+00 1.210309e-08 ; 1.950158e-01 -1.210309e-08 4.745408e-01 2.545702e-01 0.000485 0.000060 True native_MD 4 202 210 + H_AB42_22 OE1_AB42_22 1 0.000000e+00 1.238344e-08 ; 1.953882e-01 -1.238344e-08 1.699752e-02 2.908519e-03 0.000485 0.000060 True native_MD 6 202 207 + H_AB42_22 OE2_AB42_22 1 0.000000e+00 1.238344e-08 ; 1.953882e-01 -1.238344e-08 1.699752e-02 2.908519e-03 0.000485 0.000060 True native_MD 6 202 208 + H_AB42_22 O_AB42_22 1 0.000000e+00 1.210328e-08 ; 1.950160e-01 -1.210328e-08 4.745408e-01 2.545702e-01 0.000485 0.000060 True native_MD 4 202 210 H_AB42_22 H_AB42_23 1 0.000000e+00 1.593289e-08 ; 1.995352e-01 -1.593289e-08 2.664454e-01 5.941860e-01 0.000485 0.000060 True native_MD 5 202 212 H_AB42_22 OD1_AB42_23 1 9.324570e-06 2.973226e-10 ; 1.780737e-01 7.310881e-02 5.324200e-04 1.262091e-03 0.000485 0.005316 True native_MD 7 202 216 H_AB42_22 OD2_AB42_23 1 9.324570e-06 2.973226e-10 ; 1.780737e-01 7.310881e-02 5.324200e-04 1.262091e-03 0.000485 0.005316 True native_MD 7 202 217 @@ -41365,21 +41365,21 @@ CE2_AB42_20 C_AB42_42 1 1.357245e-03 5.191422e-06 ; 3.954619e-01 8.870953 H_AB42_22 H_AB42_42 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 355 H_AB42_22 O1_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 359 H_AB42_22 O2_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 360 - CA_AB42_22 OE1_AB42_22 1 0.000000e+00 3.318734e-06 ; 3.113456e-01 -3.318734e-06 9.909154e-01 9.779848e-01 0.000485 0.000060 True native_MD 4 203 207 - CA_AB42_22 OE2_AB42_22 1 0.000000e+00 3.318734e-06 ; 3.113456e-01 -3.318734e-06 9.909154e-01 9.779848e-01 0.000485 0.000060 True native_MD 4 203 208 - CA_AB42_22 CB_AB42_23 1 0.000000e+00 3.181365e-05 ; 3.758773e-01 -3.181365e-05 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 203 214 - CA_AB42_22 CG_AB42_23 1 0.000000e+00 1.165022e-05 ; 3.456921e-01 -1.165022e-05 7.588682e-01 6.514778e-01 0.000485 0.000060 True native_MD 5 203 215 - CA_AB42_22 OD1_AB42_23 1 0.000000e+00 3.217020e-06 ; 3.105390e-01 -3.217020e-06 2.502926e-01 2.071100e-01 0.000485 0.000060 True native_MD 6 203 216 - CA_AB42_22 OD2_AB42_23 1 0.000000e+00 3.217020e-06 ; 3.105390e-01 -3.217020e-06 2.502926e-01 2.071100e-01 0.000485 0.000060 True native_MD 6 203 217 - CA_AB42_22 C_AB42_23 1 0.000000e+00 1.305175e-05 ; 3.489802e-01 -1.305175e-05 1.000000e+00 9.999912e-01 0.000485 0.000060 True native_MD 4 203 218 - CA_AB42_22 O_AB42_23 1 0.000000e+00 3.351809e-06 ; 3.116030e-01 -3.351809e-06 7.435106e-01 5.504958e-01 0.000485 0.000060 True native_MD 5 203 219 - CA_AB42_22 N_AB42_24 1 0.000000e+00 8.537358e-06 ; 3.368516e-01 -8.537358e-06 4.331858e-01 5.602305e-01 0.000485 0.000060 True native_MD 5 203 220 - CA_AB42_22 CA_AB42_24 1 0.000000e+00 7.077371e-05 ; 4.017763e-01 -7.077371e-05 4.759347e-01 5.555306e-01 0.000485 0.000060 True native_MD 6 203 222 + CA_AB42_22 OE1_AB42_22 1 0.000000e+00 3.318761e-06 ; 3.113458e-01 -3.318761e-06 9.909154e-01 9.779848e-01 0.000485 0.000060 True native_MD 4 203 207 + CA_AB42_22 OE2_AB42_22 1 0.000000e+00 3.318761e-06 ; 3.113458e-01 -3.318761e-06 9.909154e-01 9.779848e-01 0.000485 0.000060 True native_MD 4 203 208 + CA_AB42_22 CB_AB42_23 1 0.000000e+00 3.181352e-05 ; 3.758772e-01 -3.181352e-05 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 203 214 + CA_AB42_22 CG_AB42_23 1 0.000000e+00 1.165016e-05 ; 3.456920e-01 -1.165016e-05 7.588682e-01 6.514778e-01 0.000485 0.000060 True native_MD 5 203 215 + CA_AB42_22 OD1_AB42_23 1 0.000000e+00 3.217047e-06 ; 3.105392e-01 -3.217047e-06 2.502926e-01 2.071100e-01 0.000485 0.000060 True native_MD 6 203 216 + CA_AB42_22 OD2_AB42_23 1 0.000000e+00 3.217047e-06 ; 3.105392e-01 -3.217047e-06 2.502926e-01 2.071100e-01 0.000485 0.000060 True native_MD 6 203 217 + CA_AB42_22 C_AB42_23 1 0.000000e+00 1.305168e-05 ; 3.489800e-01 -1.305168e-05 1.000000e+00 9.999912e-01 0.000485 0.000060 True native_MD 4 203 218 + CA_AB42_22 O_AB42_23 1 0.000000e+00 3.351835e-06 ; 3.116032e-01 -3.351835e-06 7.435106e-01 5.504958e-01 0.000485 0.000060 True native_MD 5 203 219 + CA_AB42_22 N_AB42_24 1 0.000000e+00 8.537344e-06 ; 3.368516e-01 -8.537344e-06 4.331858e-01 5.602305e-01 0.000485 0.000060 True native_MD 5 203 220 + CA_AB42_22 CA_AB42_24 1 0.000000e+00 7.077423e-05 ; 4.017766e-01 -7.077423e-05 4.759347e-01 5.555306e-01 0.000485 0.000060 True native_MD 6 203 222 CA_AB42_22 CB_AB42_24 1 6.396067e-03 1.265136e-04 ; 5.200407e-01 8.084046e-02 2.335565e-01 3.072040e-01 0.000485 0.000883 True native_MD 7 203 223 CA_AB42_22 CG1_AB42_24 1 3.472448e-03 2.786959e-05 ; 4.474548e-01 1.081635e-01 8.350976e-02 1.061694e-01 0.000485 0.001932 True native_MD 7 203 224 CA_AB42_22 CG2_AB42_24 1 3.407908e-03 2.770705e-05 ; 4.484187e-01 1.047914e-01 1.455922e-01 2.047516e-01 0.000485 0.001932 True native_MD 7 203 225 CA_AB42_22 C_AB42_24 1 3.749806e-03 4.372927e-05 ; 4.762050e-01 8.038689e-02 5.402931e-02 1.092711e-01 0.000485 0.001339 True native_MD 7 203 226 - CA_AB42_22 O_AB42_24 1 0.000000e+00 4.434882e-06 ; 3.189592e-01 -4.434882e-06 3.676085e-02 1.045079e-01 0.000485 0.001339 True native_MD 7 203 227 + CA_AB42_22 O_AB42_24 1 0.000000e+00 4.434917e-06 ; 3.189594e-01 -4.434917e-06 3.676085e-02 1.045079e-01 0.000485 0.001339 True native_MD 7 203 227 CA_AB42_22 N_AB42_25 1 1.337468e-03 5.476598e-06 ; 3.999797e-01 8.165746e-02 5.005924e-02 9.746585e-02 0.000485 0.001339 True native_MD 7 203 228 CA_AB42_22 CA_AB42_25 1 2.182915e-03 1.624927e-05 ; 4.418751e-01 7.331280e-02 5.238988e-02 9.984732e-02 0.000485 0.001021 True native_MD 7 203 230 CA_AB42_22 C_AB42_25 1 2.115164e-03 1.242976e-05 ; 4.248019e-01 8.998401e-02 1.993537e-02 3.025308e-02 0.000485 0.001339 True native_MD 7 203 231 @@ -41492,34 +41492,34 @@ CE2_AB42_20 C_AB42_42 1 1.357245e-03 5.191422e-06 ; 3.954619e-01 8.870953 CA_AB42_22 CA_AB42_42 1 5.971475e-03 5.654099e-05 ; 4.599532e-01 1.576666e-01 6.944562e-03 9.166332e-04 0.000485 0.000883 True native_MD 7 203 356 CA_AB42_22 CB_AB42_42 1 1.593273e-03 4.130493e-06 ; 3.706397e-01 1.536451e-01 5.928668e-03 6.683166e-04 0.000485 0.001932 True native_MD 7 203 357 CA_AB42_22 C_AB42_42 1 3.459800e-03 4.200357e-05 ; 4.794086e-01 7.124525e-02 5.035404e-04 4.410752e-04 0.000485 0.001339 True native_MD 7 203 358 - CB_AB42_22 CD_AB42_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 204 206 - CB_AB42_22 OE1_AB42_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 204 207 - CB_AB42_22 OE2_AB42_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 204 208 - CB_AB42_22 C_AB42_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 204 209 + CB_AB42_22 CD_AB42_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 204 206 + CB_AB42_22 OE1_AB42_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 204 207 + CB_AB42_22 OE2_AB42_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 204 208 + CB_AB42_22 C_AB42_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 204 209 CB_AB42_22 O_AB42_22 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 204 210 - CB_AB42_22 N_AB42_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 204 211 - CB_AB42_22 CA_AB42_23 1 0.000000e+00 3.181358e-05 ; 3.758773e-01 -3.181358e-05 1.000000e+00 9.999976e-01 0.000485 0.000060 True native_MD 4 204 213 - CB_AB42_22 CB_AB42_23 1 0.000000e+00 1.528150e-05 ; 3.535972e-01 -1.528150e-05 6.552808e-01 6.450859e-01 0.000485 0.000060 True native_MD 5 204 214 - CB_AB42_22 CG_AB42_23 1 0.000000e+00 6.546913e-06 ; 3.294818e-01 -6.546913e-06 1.567627e-01 1.903834e-01 0.000485 0.000060 True native_MD 6 204 215 - CB_AB42_22 OD1_AB42_23 1 0.000000e+00 1.662552e-06 ; 2.939181e-01 -1.662552e-06 5.096107e-02 6.989880e-02 0.000485 0.000060 True native_MD 7 204 216 - CB_AB42_22 OD2_AB42_23 1 0.000000e+00 1.662552e-06 ; 2.939181e-01 -1.662552e-06 5.096107e-02 6.989880e-02 0.000485 0.000060 True native_MD 7 204 217 - CB_AB42_22 C_AB42_23 1 0.000000e+00 4.175549e-06 ; 3.173617e-01 -4.175549e-06 6.739373e-01 3.331692e-01 0.000485 0.000060 True native_MD 5 204 218 - CB_AB42_22 O_AB42_23 1 0.000000e+00 1.486693e-06 ; 2.911925e-01 -1.486693e-06 3.856308e-01 1.232037e-01 0.000485 0.000060 True native_MD 6 204 219 - CB_AB42_22 N_AB42_24 1 0.000000e+00 3.559239e-06 ; 3.131661e-01 -3.559239e-06 1.682284e-01 1.364437e-01 0.000485 0.000060 True native_MD 6 204 220 + CB_AB42_22 N_AB42_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 204 211 + CB_AB42_22 CA_AB42_23 1 0.000000e+00 3.181344e-05 ; 3.758771e-01 -3.181344e-05 1.000000e+00 9.999976e-01 0.000485 0.000060 True native_MD 4 204 213 + CB_AB42_22 CB_AB42_23 1 0.000000e+00 1.528126e-05 ; 3.535967e-01 -1.528126e-05 6.552808e-01 6.450859e-01 0.000485 0.000060 True native_MD 5 204 214 + CB_AB42_22 CG_AB42_23 1 0.000000e+00 6.546803e-06 ; 3.294813e-01 -6.546803e-06 1.567627e-01 1.903834e-01 0.000485 0.000060 True native_MD 6 204 215 + CB_AB42_22 OD1_AB42_23 1 0.000000e+00 1.662546e-06 ; 2.939180e-01 -1.662546e-06 5.096107e-02 6.989880e-02 0.000485 0.000060 True native_MD 7 204 216 + CB_AB42_22 OD2_AB42_23 1 0.000000e+00 1.662546e-06 ; 2.939180e-01 -1.662546e-06 5.096107e-02 6.989880e-02 0.000485 0.000060 True native_MD 7 204 217 + CB_AB42_22 C_AB42_23 1 0.000000e+00 4.175479e-06 ; 3.173612e-01 -4.175479e-06 6.739373e-01 3.331692e-01 0.000485 0.000060 True native_MD 5 204 218 + CB_AB42_22 O_AB42_23 1 0.000000e+00 1.486688e-06 ; 2.911924e-01 -1.486688e-06 3.856308e-01 1.232037e-01 0.000485 0.000060 True native_MD 6 204 219 + CB_AB42_22 N_AB42_24 1 0.000000e+00 3.559192e-06 ; 3.131658e-01 -3.559192e-06 1.682284e-01 1.364437e-01 0.000485 0.000060 True native_MD 6 204 220 CB_AB42_22 CA_AB42_24 1 4.842844e-03 5.649756e-05 ; 4.762353e-01 1.037794e-01 1.996481e-01 1.528938e-01 0.000485 0.001021 True native_MD 7 204 222 CB_AB42_22 CB_AB42_24 1 4.108649e-03 4.083506e-05 ; 4.636843e-01 1.033487e-01 1.485303e-01 1.152227e-01 0.000485 0.001021 True native_MD 7 204 223 CB_AB42_22 CG1_AB42_24 1 1.575224e-03 4.772024e-06 ; 3.803879e-01 1.299936e-01 5.872901e-02 4.688246e-02 0.000485 0.002332 True native_MD 7 204 224 CB_AB42_22 CG2_AB42_24 1 1.621368e-03 5.258347e-06 ; 3.847346e-01 1.249839e-01 1.000706e-01 9.280552e-02 0.000485 0.002332 True native_MD 7 204 225 - CB_AB42_22 C_AB42_24 1 0.000000e+00 6.403734e-06 ; 3.288752e-01 -6.403734e-06 4.413428e-02 5.514995e-02 0.000485 0.000060 True native_MD 7 204 226 + CB_AB42_22 C_AB42_24 1 0.000000e+00 6.403626e-06 ; 3.288747e-01 -6.403626e-06 4.413428e-02 5.514995e-02 0.000485 0.000060 True native_MD 7 204 226 CB_AB42_22 O_AB42_24 1 4.541751e-04 5.694673e-07 ; 3.283781e-01 9.055614e-02 4.335051e-02 5.750859e-02 0.000485 0.001191 True native_MD 7 204 227 - CB_AB42_22 N_AB42_25 1 0.000000e+00 3.695370e-06 ; 3.141472e-01 -3.695370e-06 2.817309e-02 3.341999e-02 0.000485 0.000060 True native_MD 7 204 228 + CB_AB42_22 N_AB42_25 1 0.000000e+00 3.695321e-06 ; 3.141468e-01 -3.695321e-06 2.817309e-02 3.341999e-02 0.000485 0.000060 True native_MD 7 204 228 CB_AB42_22 CA_AB42_25 1 9.197308e-04 2.296407e-06 ; 3.683251e-01 9.209000e-02 3.520065e-02 4.458976e-02 0.000485 0.001190 True native_MD 7 204 230 - CB_AB42_22 C_AB42_25 1 0.000000e+00 6.349871e-06 ; 3.286438e-01 -6.349871e-06 1.212339e-02 1.463517e-02 0.000485 0.000060 True native_MD 7 204 231 + CB_AB42_22 C_AB42_25 1 0.000000e+00 6.349764e-06 ; 3.286433e-01 -6.349764e-06 1.212339e-02 1.463517e-02 0.000485 0.000060 True native_MD 7 204 231 CB_AB42_22 O_AB42_25 1 5.435301e-04 7.058096e-07 ; 3.303016e-01 1.046404e-01 5.887874e-03 5.124459e-03 0.000485 0.001191 True native_MD 7 204 232 - CB_AB42_22 N_AB42_26 1 0.000000e+00 3.674025e-06 ; 3.139956e-01 -3.674025e-06 7.602746e-03 7.043188e-03 0.000485 0.000060 True native_MD 7 204 233 + CB_AB42_22 N_AB42_26 1 0.000000e+00 3.673976e-06 ; 3.139952e-01 -3.673976e-06 7.602746e-03 7.043188e-03 0.000485 0.000060 True native_MD 7 204 233 CB_AB42_22 CA_AB42_26 1 4.247658e-03 3.373333e-05 ; 4.466681e-01 1.337149e-01 6.421273e-02 2.007632e-02 0.000485 0.001021 True native_MD 7 204 235 CB_AB42_22 CB_AB42_26 1 2.211986e-03 8.014059e-06 ; 3.919028e-01 1.526344e-01 1.342560e-01 2.778070e-02 0.000485 0.001190 True native_MD 7 204 236 - CB_AB42_22 OG_AB42_26 1 0.000000e+00 2.716860e-06 ; 3.061968e-01 -2.716860e-06 4.148265e-02 1.753973e-02 0.000485 0.000060 True native_MD 7 204 237 + CB_AB42_22 OG_AB42_26 1 0.000000e+00 2.716820e-06 ; 3.061964e-01 -2.716820e-06 4.148265e-02 1.753973e-02 0.000485 0.000060 True native_MD 7 204 237 CB_AB42_22 C_AB42_26 1 1.669600e-03 6.687401e-06 ; 3.985115e-01 1.042095e-01 2.416880e-02 1.068756e-03 0.000485 0.000060 True native_MD 7 204 238 CB_AB42_22 O_AB42_26 1 8.673297e-04 1.010082e-06 ; 3.243611e-01 1.861881e-01 2.368358e-02 1.795932e-03 0.000485 0.001191 True native_MD 7 204 239 CB_AB42_22 N_AB42_27 1 1.467849e-03 5.061219e-06 ; 3.886831e-01 1.064260e-01 1.751893e-02 7.249779e-04 0.000485 0.000060 True native_MD 7 204 240 @@ -41580,7 +41580,7 @@ CE2_AB42_20 C_AB42_42 1 1.357245e-03 5.191422e-06 ; 3.954619e-01 8.870953 CB_AB42_22 CA_AB42_35 1 3.294608e-03 1.789628e-05 ; 4.192694e-01 1.516298e-01 5.581694e-03 4.380957e-04 0.000485 0.001021 True native_MD 7 204 304 CB_AB42_22 CB_AB42_35 1 2.065362e-03 6.969472e-06 ; 3.872879e-01 1.530144e-01 5.817827e-03 5.813852e-04 0.000485 0.001190 True native_MD 7 204 305 CB_AB42_22 CG_AB42_35 1 2.144187e-03 7.323590e-06 ; 3.880701e-01 1.569428e-01 6.543598e-03 9.202403e-04 0.000485 0.001190 True native_MD 7 204 306 - CB_AB42_22 SD_AB42_35 1 0.000000e+00 6.448826e-06 ; 3.290675e-01 -6.448826e-06 6.609524e-03 1.018348e-03 0.000485 0.000060 True native_MD 7 204 307 + CB_AB42_22 SD_AB42_35 1 0.000000e+00 6.448816e-06 ; 3.290675e-01 -6.448816e-06 6.609524e-03 1.018348e-03 0.000485 0.000060 True native_MD 7 204 307 CB_AB42_22 CE_AB42_35 1 1.938238e-03 5.459884e-06 ; 3.758051e-01 1.720168e-01 1.027374e-02 1.544039e-03 0.000485 0.002332 True native_MD 7 204 308 CB_AB42_22 C_AB42_35 1 1.368362e-03 3.365072e-06 ; 3.673942e-01 1.391065e-01 3.837111e-03 4.993507e-05 0.000485 0.000060 True native_MD 7 204 309 CB_AB42_22 O_AB42_35 1 5.271389e-04 4.945551e-07 ; 3.128827e-01 1.404674e-01 3.996603e-03 1.000464e-04 0.000485 0.001191 True native_MD 7 204 310 @@ -41624,34 +41624,34 @@ CE2_AB42_20 C_AB42_42 1 1.357245e-03 5.191422e-06 ; 3.954619e-01 8.870953 CB_AB42_22 N_AB42_42 1 9.792283e-04 2.300005e-06 ; 3.645923e-01 1.042267e-01 1.351088e-03 1.419220e-07 0.000485 0.000060 True native_MD 7 204 354 CB_AB42_22 CA_AB42_42 1 1.752004e-03 5.653027e-06 ; 3.844068e-01 1.357466e-01 3.470056e-03 9.686924e-04 0.000485 0.001021 True native_MD 7 204 356 CB_AB42_22 CB_AB42_42 1 1.068850e-03 2.049036e-06 ; 3.524565e-01 1.393875e-01 3.869516e-03 7.014890e-04 0.000485 0.002332 True native_MD 7 204 357 - CB_AB42_22 C_AB42_42 1 0.000000e+00 6.331234e-06 ; 3.285633e-01 -6.331234e-06 7.940887e-04 3.634997e-04 0.000485 0.000060 True native_MD 7 204 358 - CB_AB42_22 O1_AB42_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 204 359 - CB_AB42_22 O2_AB42_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 204 360 - CG_AB42_22 CD_AB42_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 206 - CG_AB42_22 OE1_AB42_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 207 - CG_AB42_22 OE2_AB42_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 208 - CG_AB42_22 C_AB42_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 209 - CG_AB42_22 O_AB42_22 1 0.000000e+00 1.982357e-06 ; 2.982590e-01 -1.982357e-06 9.739871e-01 9.574667e-01 0.000485 0.000060 True native_MD 4 205 210 - CG_AB42_22 N_AB42_23 1 0.000000e+00 3.630888e-06 ; 3.136867e-01 -3.630888e-06 9.922351e-01 9.799411e-01 0.000485 0.000060 True native_MD 4 205 211 - CG_AB42_22 CA_AB42_23 1 0.000000e+00 2.544844e-05 ; 3.689494e-01 -2.544844e-05 9.015430e-01 7.014650e-01 0.000485 0.000060 True native_MD 5 205 213 - CG_AB42_22 CB_AB42_23 1 0.000000e+00 1.114644e-05 ; 3.444211e-01 -1.114644e-05 4.211747e-01 1.431461e-01 0.000485 0.000060 True native_MD 6 205 214 - CG_AB42_22 CG_AB42_23 1 0.000000e+00 6.138749e-06 ; 3.277190e-01 -6.138749e-06 9.397548e-02 6.315560e-02 0.000485 0.000060 True native_MD 7 205 215 - CG_AB42_22 OD1_AB42_23 1 0.000000e+00 1.594844e-06 ; 2.929014e-01 -1.594844e-06 5.427837e-02 3.171929e-02 0.000485 0.000060 True native_MD 7 205 216 - CG_AB42_22 OD2_AB42_23 1 0.000000e+00 1.594844e-06 ; 2.929014e-01 -1.594844e-06 5.427837e-02 3.171929e-02 0.000485 0.000060 True native_MD 7 205 217 - CG_AB42_22 C_AB42_23 1 0.000000e+00 3.910911e-06 ; 3.156348e-01 -3.910911e-06 4.898327e-01 1.072838e-01 0.000485 0.000060 True native_MD 6 205 218 + CB_AB42_22 C_AB42_42 1 0.000000e+00 6.331127e-06 ; 3.285628e-01 -6.331127e-06 7.940887e-04 3.634997e-04 0.000485 0.000060 True native_MD 7 204 358 + CB_AB42_22 O1_AB42_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 204 359 + CB_AB42_22 O2_AB42_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 204 360 + CG_AB42_22 CD_AB42_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 206 + CG_AB42_22 OE1_AB42_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 207 + CG_AB42_22 OE2_AB42_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 208 + CG_AB42_22 C_AB42_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 209 + CG_AB42_22 O_AB42_22 1 0.000000e+00 1.982349e-06 ; 2.982589e-01 -1.982349e-06 9.739871e-01 9.574667e-01 0.000485 0.000060 True native_MD 4 205 210 + CG_AB42_22 N_AB42_23 1 0.000000e+00 3.630840e-06 ; 3.136863e-01 -3.630840e-06 9.922351e-01 9.799411e-01 0.000485 0.000060 True native_MD 4 205 211 + CG_AB42_22 CA_AB42_23 1 0.000000e+00 2.544833e-05 ; 3.689492e-01 -2.544833e-05 9.015430e-01 7.014650e-01 0.000485 0.000060 True native_MD 5 205 213 + CG_AB42_22 CB_AB42_23 1 0.000000e+00 1.114627e-05 ; 3.444206e-01 -1.114627e-05 4.211747e-01 1.431461e-01 0.000485 0.000060 True native_MD 6 205 214 + CG_AB42_22 CG_AB42_23 1 0.000000e+00 6.138646e-06 ; 3.277186e-01 -6.138646e-06 9.397548e-02 6.315560e-02 0.000485 0.000060 True native_MD 7 205 215 + CG_AB42_22 OD1_AB42_23 1 0.000000e+00 1.594838e-06 ; 2.929014e-01 -1.594838e-06 5.427837e-02 3.171929e-02 0.000485 0.000060 True native_MD 7 205 216 + CG_AB42_22 OD2_AB42_23 1 0.000000e+00 1.594838e-06 ; 2.929014e-01 -1.594838e-06 5.427837e-02 3.171929e-02 0.000485 0.000060 True native_MD 7 205 217 + CG_AB42_22 C_AB42_23 1 0.000000e+00 3.910846e-06 ; 3.156343e-01 -3.910846e-06 4.898327e-01 1.072838e-01 0.000485 0.000060 True native_MD 6 205 218 CG_AB42_22 O_AB42_23 1 8.540603e-04 1.164915e-06 ; 3.330179e-01 1.565391e-01 3.587546e-01 6.606597e-02 0.000485 0.001191 True native_MD 7 205 219 - CG_AB42_22 N_AB42_24 1 0.000000e+00 3.239262e-06 ; 3.107174e-01 -3.239262e-06 1.621739e-01 4.334645e-02 0.000485 0.000060 True native_MD 7 205 220 + CG_AB42_22 N_AB42_24 1 0.000000e+00 3.239220e-06 ; 3.107170e-01 -3.239220e-06 1.621739e-01 4.334645e-02 0.000485 0.000060 True native_MD 7 205 220 CG_AB42_22 CA_AB42_24 1 2.966418e-03 1.650638e-05 ; 4.209559e-01 1.332763e-01 2.436940e-01 7.719844e-02 0.000485 0.001021 True native_MD 7 205 222 CG_AB42_22 CB_AB42_24 1 1.695107e-03 5.892080e-06 ; 3.892051e-01 1.219174e-01 1.658558e-01 7.381107e-02 0.000485 0.001021 True native_MD 7 205 223 CG_AB42_22 CG1_AB42_24 1 1.340295e-03 2.917646e-06 ; 3.600024e-01 1.539247e-01 9.268675e-02 3.615358e-02 0.000485 0.002332 True native_MD 7 205 224 CG_AB42_22 CG2_AB42_24 1 1.053155e-03 1.959701e-06 ; 3.507112e-01 1.414928e-01 1.248941e-01 7.067220e-02 0.000485 0.002332 True native_MD 7 205 225 - CG_AB42_22 C_AB42_24 1 0.000000e+00 6.021229e-06 ; 3.271916e-01 -6.021229e-06 7.525125e-02 2.587735e-02 0.000485 0.000060 True native_MD 7 205 226 + CG_AB42_22 C_AB42_24 1 0.000000e+00 6.021128e-06 ; 3.271911e-01 -6.021128e-06 7.525125e-02 2.587735e-02 0.000485 0.000060 True native_MD 7 205 226 CG_AB42_22 O_AB42_24 1 4.684320e-04 4.602442e-07 ; 3.152997e-01 1.191914e-01 5.774512e-02 3.251555e-02 0.000485 0.001191 True native_MD 7 205 227 - CG_AB42_22 N_AB42_25 1 0.000000e+00 3.622295e-06 ; 3.136247e-01 -3.622295e-06 3.047505e-02 1.584355e-02 0.000485 0.000060 True native_MD 7 205 228 + CG_AB42_22 N_AB42_25 1 0.000000e+00 3.622247e-06 ; 3.136244e-01 -3.622247e-06 3.047505e-02 1.584355e-02 0.000485 0.000060 True native_MD 7 205 228 CG_AB42_22 CA_AB42_25 1 8.366187e-04 1.675859e-06 ; 3.550463e-01 1.044137e-01 3.444989e-02 3.017901e-02 0.000485 0.001190 True native_MD 7 205 230 - CG_AB42_22 C_AB42_25 1 0.000000e+00 6.286803e-06 ; 3.283705e-01 -6.286803e-06 1.615198e-02 8.706667e-03 0.000485 0.000060 True native_MD 7 205 231 + CG_AB42_22 C_AB42_25 1 0.000000e+00 6.286697e-06 ; 3.283701e-01 -6.286697e-06 1.615198e-02 8.706667e-03 0.000485 0.000060 True native_MD 7 205 231 CG_AB42_22 O_AB42_25 1 4.127707e-04 3.674788e-07 ; 3.101610e-01 1.159112e-01 6.232598e-03 3.871477e-03 0.000485 0.001191 True native_MD 7 205 232 - CG_AB42_22 N_AB42_26 1 0.000000e+00 3.615448e-06 ; 3.135753e-01 -3.615448e-06 1.985187e-02 3.357634e-03 0.000485 0.000060 True native_MD 7 205 233 + CG_AB42_22 N_AB42_26 1 0.000000e+00 3.615400e-06 ; 3.135750e-01 -3.615400e-06 1.985187e-02 3.357634e-03 0.000485 0.000060 True native_MD 7 205 233 CG_AB42_22 CA_AB42_26 1 3.316369e-03 1.577726e-05 ; 4.101047e-01 1.742746e-01 1.451223e-01 1.347894e-02 0.000485 0.001021 True native_MD 7 205 235 CG_AB42_22 CB_AB42_26 1 1.332683e-03 2.598325e-06 ; 3.534498e-01 1.708836e-01 1.634066e-01 1.958394e-02 0.000485 0.001190 True native_MD 7 205 236 CG_AB42_22 OG_AB42_26 1 4.300295e-04 6.442640e-07 ; 3.382680e-01 7.175840e-02 1.148393e-01 1.341129e-02 0.000485 0.000060 True native_MD 7 205 237 @@ -41663,7 +41663,7 @@ CE2_AB42_20 C_AB42_42 1 1.357245e-03 5.191422e-06 ; 3.954619e-01 8.870953 CG_AB42_22 CG_AB42_27 1 8.241944e-04 1.942143e-06 ; 3.647892e-01 8.744159e-02 8.602239e-02 6.282932e-03 0.000485 0.000060 True native_MD 7 205 244 CG_AB42_22 OD1_AB42_27 1 8.291651e-04 1.013558e-06 ; 3.269901e-01 1.695795e-01 3.940448e-02 4.911843e-03 0.000485 0.001191 True native_MD 7 205 245 CG_AB42_22 ND2_AB42_27 1 3.458012e-04 3.935136e-07 ; 3.231138e-01 7.596846e-02 1.035770e-01 1.066416e-02 0.000485 0.000060 True native_MD 7 205 246 - CG_AB42_22 C_AB42_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 247 + CG_AB42_22 C_AB42_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 247 CG_AB42_22 O_AB42_27 1 8.799963e-04 1.100638e-06 ; 3.282418e-01 1.758965e-01 1.685225e-02 1.738825e-03 0.000485 0.001191 True native_MD 7 205 248 CG_AB42_22 N_AB42_28 1 1.096791e-03 2.134918e-06 ; 3.533536e-01 1.408663e-01 3.378615e-02 4.988236e-04 0.000485 0.000060 True native_MD 7 205 249 CG_AB42_22 CA_AB42_28 1 3.961569e-03 1.966823e-05 ; 4.130313e-01 1.994845e-01 7.743151e-02 3.382167e-03 0.000485 0.001021 True native_MD 7 205 251 @@ -41672,7 +41672,7 @@ CE2_AB42_20 C_AB42_42 1 1.357245e-03 5.191422e-06 ; 3.954619e-01 8.870953 CG_AB42_22 CD_AB42_28 1 2.424924e-03 7.638354e-06 ; 3.828691e-01 1.924582e-01 8.777917e-02 5.515997e-03 0.000485 0.001190 True native_MD 7 205 254 CG_AB42_22 CE_AB42_28 1 2.446414e-03 7.794038e-06 ; 3.835943e-01 1.919718e-01 1.144934e-01 7.300207e-03 0.000485 0.001190 True native_MD 7 205 255 CG_AB42_22 NZ_AB42_28 1 7.347642e-04 1.274436e-06 ; 3.466264e-01 1.059054e-01 1.090365e-01 4.583054e-03 0.000485 0.000060 True native_MD 7 205 256 - CG_AB42_22 C_AB42_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 257 + CG_AB42_22 C_AB42_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 257 CG_AB42_22 O_AB42_28 1 8.602325e-04 9.446175e-07 ; 3.211984e-01 1.958464e-01 2.286183e-02 1.298454e-03 0.000485 0.001191 True native_MD 7 205 258 CG_AB42_22 N_AB42_29 1 1.074503e-03 2.150010e-06 ; 3.549813e-01 1.342503e-01 5.061530e-02 9.109107e-04 0.000485 0.000060 True native_MD 7 205 259 CG_AB42_22 CA_AB42_29 1 1.620980e-03 3.411027e-06 ; 3.579738e-01 1.925796e-01 8.353841e-02 5.230474e-03 0.000485 0.001190 True native_MD 7 205 261 @@ -41699,9 +41699,9 @@ CE2_AB42_20 C_AB42_42 1 1.357245e-03 5.191422e-06 ; 3.954619e-01 8.870953 CG_AB42_22 CD_AB42_32 1 1.838307e-03 3.985262e-06 ; 3.597547e-01 2.119918e-01 5.759508e-02 3.952209e-03 0.000485 0.002332 True native_MD 7 205 285 CG_AB42_22 C_AB42_32 1 2.110045e-03 1.002379e-05 ; 4.100058e-01 1.110431e-01 6.766142e-03 2.438662e-04 0.000485 0.000060 True native_MD 7 205 286 CG_AB42_22 O_AB42_32 1 9.322035e-04 1.293723e-06 ; 3.339810e-01 1.679269e-01 9.090188e-03 3.339174e-04 0.000485 0.001191 True native_MD 7 205 287 - CG_AB42_22 N_AB42_33 1 0.000000e+00 3.667832e-06 ; 3.139514e-01 -3.667832e-06 2.583856e-03 3.396235e-04 0.000485 0.000060 True native_MD 7 205 288 + CG_AB42_22 N_AB42_33 1 0.000000e+00 3.667783e-06 ; 3.139511e-01 -3.667783e-06 2.583856e-03 3.396235e-04 0.000485 0.000060 True native_MD 7 205 288 CG_AB42_22 CA_AB42_33 1 1.579065e-03 4.310110e-06 ; 3.738362e-01 1.446277e-01 7.173676e-03 1.886302e-03 0.000485 0.001190 True native_MD 7 205 290 - CG_AB42_22 C_AB42_33 1 0.000000e+00 6.298011e-06 ; 3.284193e-01 -6.298011e-06 6.598843e-03 9.230510e-04 0.000485 0.000060 True native_MD 7 205 291 + CG_AB42_22 C_AB42_33 1 0.000000e+00 6.297905e-06 ; 3.284188e-01 -6.297905e-06 6.598843e-03 9.230510e-04 0.000485 0.000060 True native_MD 7 205 291 CG_AB42_22 O_AB42_33 1 9.862420e-04 1.694957e-06 ; 3.460954e-01 1.434658e-01 4.371797e-03 8.961209e-04 0.000485 0.001191 True native_MD 7 205 292 CG_AB42_22 N_AB42_34 1 7.411508e-04 1.288589e-06 ; 3.467645e-01 1.065709e-01 4.927537e-03 2.030314e-04 0.000485 0.000060 True native_MD 7 205 293 CG_AB42_22 CA_AB42_34 1 3.220575e-03 1.343164e-05 ; 4.012047e-01 1.930535e-01 1.928124e-02 7.963223e-04 0.000485 0.001021 True native_MD 7 205 295 @@ -41715,7 +41715,7 @@ CE2_AB42_20 C_AB42_42 1 1.357245e-03 5.191422e-06 ; 3.954619e-01 8.870953 CG_AB42_22 CA_AB42_35 1 2.925683e-03 1.394585e-05 ; 4.102384e-01 1.534439e-01 5.893082e-03 7.290015e-04 0.000485 0.001021 True native_MD 7 205 304 CG_AB42_22 CB_AB42_35 1 1.763946e-03 5.199487e-06 ; 3.786569e-01 1.496063e-01 5.253721e-03 8.593692e-04 0.000485 0.001190 True native_MD 7 205 305 CG_AB42_22 CG_AB42_35 1 1.431927e-03 3.606830e-06 ; 3.688650e-01 1.421202e-01 5.231105e-03 1.482695e-03 0.000485 0.001190 True native_MD 7 205 306 - CG_AB42_22 SD_AB42_35 1 0.000000e+00 6.451552e-06 ; 3.290791e-01 -6.451552e-06 6.146942e-03 9.760862e-04 0.000485 0.000060 True native_MD 7 205 307 + CG_AB42_22 SD_AB42_35 1 0.000000e+00 6.451542e-06 ; 3.290791e-01 -6.451542e-06 6.146942e-03 9.760862e-04 0.000485 0.000060 True native_MD 7 205 307 CG_AB42_22 CE_AB42_35 1 1.600173e-03 3.862086e-06 ; 3.662485e-01 1.657495e-01 8.516758e-03 2.089921e-03 0.000485 0.002332 True native_MD 7 205 308 CG_AB42_22 C_AB42_35 1 2.663794e-03 1.291277e-05 ; 4.113894e-01 1.373795e-01 3.643839e-03 5.642494e-05 0.000485 0.000060 True native_MD 7 205 309 CG_AB42_22 O_AB42_35 1 7.694096e-04 1.124646e-06 ; 3.368809e-01 1.315950e-01 3.064644e-03 2.324353e-05 0.000485 0.001191 True native_MD 7 205 310 @@ -41754,18 +41754,18 @@ CE2_AB42_20 C_AB42_42 1 1.357245e-03 5.191422e-06 ; 3.954619e-01 8.870953 CG_AB42_22 CG1_AB42_41 1 2.155018e-03 7.044488e-06 ; 3.852415e-01 1.648133e-01 8.281460e-03 8.975654e-04 0.000485 0.001190 True native_MD 7 205 349 CG_AB42_22 CG2_AB42_41 1 1.356622e-03 3.281391e-06 ; 3.663812e-01 1.402167e-01 3.966732e-03 1.382221e-03 0.000485 0.002332 True native_MD 7 205 350 CG_AB42_22 CD_AB42_41 1 1.388077e-03 2.922630e-06 ; 3.580085e-01 1.648136e-01 8.281547e-03 1.568073e-03 0.000485 0.002332 True native_MD 7 205 351 - CG_AB42_22 C_AB42_41 1 0.000000e+00 6.326265e-06 ; 3.285418e-01 -6.326265e-06 1.396764e-03 1.817749e-04 0.000485 0.000060 True native_MD 7 205 352 + CG_AB42_22 C_AB42_41 1 0.000000e+00 6.326159e-06 ; 3.285413e-01 -6.326159e-06 1.396764e-03 1.817749e-04 0.000485 0.000060 True native_MD 7 205 352 CG_AB42_22 O_AB42_41 1 7.206184e-04 1.274306e-06 ; 3.477454e-01 1.018772e-01 1.259354e-03 2.500924e-04 0.000485 0.001191 True native_MD 7 205 353 CG_AB42_22 N_AB42_42 1 4.346185e-04 6.198364e-07 ; 3.355018e-01 7.618674e-02 9.210202e-04 9.420969e-05 0.000485 0.000060 True native_MD 7 205 354 CG_AB42_22 CA_AB42_42 1 3.147749e-03 1.997842e-05 ; 4.302889e-01 1.239878e-01 3.429265e-03 1.434445e-03 0.000485 0.001021 True native_MD 7 205 356 CG_AB42_22 CB_AB42_42 1 1.325428e-03 3.236793e-06 ; 3.669665e-01 1.356868e-01 3.463852e-03 1.307382e-03 0.000485 0.002332 True native_MD 7 205 357 - CG_AB42_22 C_AB42_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 358 - CG_AB42_22 O1_AB42_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 359 - CG_AB42_22 O2_AB42_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 360 - CD_AB42_22 C_AB42_22 1 0.000000e+00 1.960459e-06 ; 2.979830e-01 -1.960459e-06 8.396052e-01 5.940427e-01 0.000485 0.000060 True native_MD 4 206 209 - CD_AB42_22 O_AB42_22 1 0.000000e+00 8.481062e-07 ; 2.778855e-01 -8.481062e-07 5.692537e-02 8.251767e-02 0.000485 0.000060 True native_MD 5 206 210 - CD_AB42_22 N_AB42_23 1 0.000000e+00 1.128991e-06 ; 2.845897e-01 -1.128991e-06 3.054850e-01 5.407888e-02 0.000485 0.000060 True native_MD 5 206 211 - CD_AB42_22 CA_AB42_23 1 0.000000e+00 1.025798e-05 ; 3.420452e-01 -1.025798e-05 2.472120e-01 3.315150e-02 0.000485 0.000060 True native_MD 6 206 213 + CG_AB42_22 C_AB42_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 358 + CG_AB42_22 O1_AB42_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 359 + CG_AB42_22 O2_AB42_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 360 + CD_AB42_22 C_AB42_22 1 0.000000e+00 1.960424e-06 ; 2.979826e-01 -1.960424e-06 8.396052e-01 5.940427e-01 0.000485 0.000060 True native_MD 4 206 209 + CD_AB42_22 O_AB42_22 1 0.000000e+00 8.481023e-07 ; 2.778854e-01 -8.481023e-07 5.692537e-02 8.251767e-02 0.000485 0.000060 True native_MD 5 206 210 + CD_AB42_22 N_AB42_23 1 0.000000e+00 1.128975e-06 ; 2.845894e-01 -1.128975e-06 3.054850e-01 5.407888e-02 0.000485 0.000060 True native_MD 5 206 211 + CD_AB42_22 CA_AB42_23 1 0.000000e+00 1.025792e-05 ; 3.420450e-01 -1.025792e-05 2.472120e-01 3.315150e-02 0.000485 0.000060 True native_MD 6 206 213 CD_AB42_22 CB_AB42_23 1 2.936442e-03 2.047684e-05 ; 4.370927e-01 1.052737e-01 1.086390e-01 4.653486e-03 0.000485 0.000060 True native_MD 7 206 214 CD_AB42_22 CG_AB42_23 1 3.550053e-03 1.990470e-05 ; 4.214895e-01 1.582902e-01 2.203916e-02 7.006887e-03 0.000485 0.002166 True native_MD 7 206 215 CD_AB42_22 OD1_AB42_23 1 1.010297e-03 2.028060e-06 ; 3.551719e-01 1.258222e-01 6.266192e-03 5.264086e-03 0.000485 0.002166 True native_MD 7 206 216 @@ -41774,9 +41774,9 @@ CE2_AB42_20 C_AB42_42 1 1.357245e-03 5.191422e-06 ; 3.954619e-01 8.870953 CD_AB42_22 O_AB42_23 1 1.854289e-03 4.797952e-06 ; 3.705212e-01 1.791591e-01 6.891722e-02 1.173391e-02 0.000485 0.002166 True native_MD 7 206 219 CD_AB42_22 N_AB42_24 1 1.345012e-03 2.124330e-06 ; 3.412579e-01 2.128973e-01 4.712645e-02 2.923422e-03 0.000485 0.002166 True native_MD 7 206 220 CD_AB42_22 CA_AB42_24 1 3.859171e-03 2.376090e-05 ; 4.281160e-01 1.566986e-01 8.695364e-02 1.792116e-02 0.000485 0.001339 True native_MD 7 206 222 - CD_AB42_22 CB_AB42_24 1 0.000000e+00 1.229452e-05 ; 3.472463e-01 -1.229452e-05 9.167914e-02 3.365368e-02 0.000485 0.000060 True native_MD 7 206 223 - CD_AB42_22 CG1_AB42_24 1 0.000000e+00 4.624922e-06 ; 3.200764e-01 -4.624922e-06 3.988005e-02 1.846845e-02 0.000485 0.000060 True native_MD 7 206 224 - CD_AB42_22 CG2_AB42_24 1 0.000000e+00 4.552481e-06 ; 3.196556e-01 -4.552481e-06 8.088228e-02 4.414297e-02 0.000485 0.000060 True native_MD 7 206 225 + CD_AB42_22 CB_AB42_24 1 0.000000e+00 1.229446e-05 ; 3.472462e-01 -1.229446e-05 9.167914e-02 3.365368e-02 0.000485 0.000060 True native_MD 7 206 223 + CD_AB42_22 CG1_AB42_24 1 0.000000e+00 4.624862e-06 ; 3.200761e-01 -4.624862e-06 3.988005e-02 1.846845e-02 0.000485 0.000060 True native_MD 7 206 224 + CD_AB42_22 CG2_AB42_24 1 0.000000e+00 4.552422e-06 ; 3.196553e-01 -4.552422e-06 8.088228e-02 4.414297e-02 0.000485 0.000060 True native_MD 7 206 225 CD_AB42_22 C_AB42_24 1 2.551577e-03 1.117171e-05 ; 4.044689e-01 1.456927e-01 1.803210e-02 8.357996e-03 0.000485 0.002166 True native_MD 7 206 226 CD_AB42_22 O_AB42_24 1 6.729031e-04 9.035510e-07 ; 3.321493e-01 1.252831e-01 2.164313e-02 1.847756e-02 0.000485 0.002166 True native_MD 7 206 227 CD_AB42_22 N_AB42_25 1 8.411330e-04 1.219452e-06 ; 3.364212e-01 1.450457e-01 1.446579e-02 6.836179e-03 0.000485 0.002166 True native_MD 7 206 228 @@ -41817,10 +41817,10 @@ CE2_AB42_20 C_AB42_42 1 1.357245e-03 5.191422e-06 ; 3.954619e-01 8.870953 CD_AB42_22 O_AB42_30 1 1.283339e-03 2.879272e-06 ; 3.618180e-01 1.430014e-01 4.311469e-03 8.355687e-04 0.000485 0.002166 True native_MD 7 206 269 CD_AB42_22 N_AB42_31 1 9.280840e-04 1.524697e-06 ; 3.435047e-01 1.412313e-01 4.089029e-03 2.075547e-04 0.000485 0.002166 True native_MD 7 206 270 CD_AB42_22 CA_AB42_31 1 2.592889e-03 9.472249e-06 ; 3.924444e-01 1.774413e-01 1.208452e-02 9.754338e-04 0.000485 0.001339 True native_MD 7 206 272 - CD_AB42_22 CB_AB42_31 1 0.000000e+00 1.287678e-05 ; 3.485879e-01 -1.287678e-05 1.549099e-02 2.076387e-03 0.000485 0.000060 True native_MD 7 206 273 - CD_AB42_22 CG1_AB42_31 1 0.000000e+00 6.282866e-06 ; 3.283534e-01 -6.282866e-06 1.011601e-02 2.049101e-03 0.000485 0.000060 True native_MD 7 206 274 - CD_AB42_22 CG2_AB42_31 1 0.000000e+00 4.669733e-06 ; 3.203337e-01 -4.669733e-06 1.443008e-02 2.500141e-03 0.000485 0.000060 True native_MD 7 206 275 - CD_AB42_22 CD_AB42_31 1 0.000000e+00 4.680926e-06 ; 3.203976e-01 -4.680926e-06 1.361645e-02 4.054715e-03 0.000485 0.000060 True native_MD 7 206 276 + CD_AB42_22 CB_AB42_31 1 0.000000e+00 1.287671e-05 ; 3.485877e-01 -1.287671e-05 1.549099e-02 2.076387e-03 0.000485 0.000060 True native_MD 7 206 273 + CD_AB42_22 CG1_AB42_31 1 0.000000e+00 6.282760e-06 ; 3.283529e-01 -6.282760e-06 1.011601e-02 2.049101e-03 0.000485 0.000060 True native_MD 7 206 274 + CD_AB42_22 CG2_AB42_31 1 0.000000e+00 4.669672e-06 ; 3.203334e-01 -4.669672e-06 1.443008e-02 2.500141e-03 0.000485 0.000060 True native_MD 7 206 275 + CD_AB42_22 CD_AB42_31 1 0.000000e+00 4.680865e-06 ; 3.203973e-01 -4.680865e-06 1.361645e-02 4.054715e-03 0.000485 0.000060 True native_MD 7 206 276 CD_AB42_22 C_AB42_31 1 2.513060e-03 1.179877e-05 ; 4.092031e-01 1.338163e-01 3.275288e-03 1.995616e-04 0.000485 0.002166 True native_MD 7 206 277 CD_AB42_22 O_AB42_31 1 4.996585e-04 8.752646e-07 ; 3.471984e-01 7.130946e-02 5.045089e-04 3.671876e-04 0.000485 0.002166 True native_MD 7 206 278 CD_AB42_22 N_AB42_32 1 9.987729e-04 1.714956e-06 ; 3.460438e-01 1.454188e-01 4.634928e-03 1.091989e-04 0.000485 0.002166 True native_MD 7 206 279 @@ -41838,24 +41838,24 @@ CE2_AB42_20 C_AB42_42 1 1.357245e-03 5.191422e-06 ; 3.954619e-01 8.870953 CD_AB42_22 N_AB42_34 1 5.566456e-04 5.821024e-07 ; 3.185934e-01 1.330755e-01 3.203476e-03 1.812103e-04 0.000485 0.002166 True native_MD 7 206 293 CD_AB42_22 CA_AB42_34 1 2.934549e-03 1.185179e-05 ; 3.990620e-01 1.816514e-01 1.370713e-02 7.363941e-04 0.000485 0.001339 True native_MD 7 206 295 CD_AB42_22 CB_AB42_34 1 7.698755e-04 1.854739e-06 ; 3.661371e-01 7.989104e-02 6.889224e-03 6.307441e-04 0.000485 0.000060 True native_MD 7 206 296 - CD_AB42_22 CG_AB42_34 1 0.000000e+00 1.291426e-05 ; 3.486723e-01 -1.291426e-05 1.237929e-02 1.836459e-03 0.000485 0.000060 True native_MD 7 206 297 + CD_AB42_22 CG_AB42_34 1 0.000000e+00 1.291419e-05 ; 3.486722e-01 -1.291419e-05 1.237929e-02 1.836459e-03 0.000485 0.000060 True native_MD 7 206 297 CD_AB42_22 CD1_AB42_34 1 6.276186e-04 1.294490e-06 ; 3.567800e-01 7.607341e-02 1.794764e-02 1.842072e-03 0.000485 0.000060 True native_MD 7 206 298 - CD_AB42_22 CD2_AB42_34 1 0.000000e+00 4.688686e-06 ; 3.204419e-01 -4.688686e-06 9.791496e-03 1.871739e-03 0.000485 0.000060 True native_MD 7 206 299 + CD_AB42_22 CD2_AB42_34 1 0.000000e+00 4.688625e-06 ; 3.204415e-01 -4.688625e-06 9.791496e-03 1.871739e-03 0.000485 0.000060 True native_MD 7 206 299 CD_AB42_22 C_AB42_34 1 1.654374e-03 6.333152e-06 ; 3.955163e-01 1.080408e-01 1.514445e-03 1.693908e-04 0.000485 0.002166 True native_MD 7 206 300 CD_AB42_22 O_AB42_34 1 1.191984e-03 2.916556e-06 ; 3.670850e-01 1.217897e-01 2.285300e-03 3.265016e-04 0.000485 0.002166 True native_MD 7 206 301 CD_AB42_22 N_AB42_35 1 2.348955e-04 1.901189e-07 ; 3.052754e-01 7.255449e-02 5.236608e-04 1.169195e-04 0.000485 0.002166 True native_MD 7 206 302 CD_AB42_22 CA_AB42_35 1 1.306437e-03 3.381513e-06 ; 3.705417e-01 1.261845e-01 2.606520e-03 7.875973e-04 0.000485 0.001339 True native_MD 7 206 304 - CD_AB42_22 CB_AB42_35 1 0.000000e+00 6.321558e-06 ; 3.285214e-01 -6.321558e-06 2.838011e-03 8.798498e-04 0.000485 0.000060 True native_MD 7 206 305 - CD_AB42_22 CG_AB42_35 1 0.000000e+00 6.325970e-06 ; 3.285405e-01 -6.325970e-06 2.644665e-03 1.382973e-03 0.000485 0.000060 True native_MD 7 206 306 + CD_AB42_22 CB_AB42_35 1 0.000000e+00 6.321452e-06 ; 3.285210e-01 -6.321452e-06 2.838011e-03 8.798498e-04 0.000485 0.000060 True native_MD 7 206 305 + CD_AB42_22 CG_AB42_35 1 0.000000e+00 6.325863e-06 ; 3.285400e-01 -6.325863e-06 2.644665e-03 1.382973e-03 0.000485 0.000060 True native_MD 7 206 306 CD_AB42_22 SD_AB42_35 1 1.238173e-03 3.414480e-06 ; 3.744759e-01 1.122478e-01 1.717635e-03 1.186685e-03 0.000485 0.002166 True native_MD 7 206 307 - CD_AB42_22 CE_AB42_35 1 0.000000e+00 4.718906e-06 ; 3.206135e-01 -4.718906e-06 3.483369e-03 1.957872e-03 0.000485 0.000060 True native_MD 7 206 308 + CD_AB42_22 CE_AB42_35 1 0.000000e+00 4.718844e-06 ; 3.206131e-01 -4.718844e-06 3.483369e-03 1.957872e-03 0.000485 0.000060 True native_MD 7 206 308 CD_AB42_22 C_AB42_35 1 1.195874e-03 3.475198e-06 ; 3.777598e-01 1.028801e-01 1.297721e-03 7.160584e-05 0.000485 0.002166 True native_MD 7 206 309 CD_AB42_22 O_AB42_35 1 8.203189e-04 2.356914e-06 ; 3.770453e-01 7.137758e-02 5.055383e-04 5.849383e-05 0.000485 0.002166 True native_MD 7 206 310 CD_AB42_22 N_AB42_36 1 3.480209e-04 2.920603e-07 ; 3.071222e-01 1.036760e-01 1.329002e-03 5.001364e-05 0.000485 0.002166 True native_MD 7 206 311 CD_AB42_22 CA_AB42_36 1 2.413252e-03 1.012608e-05 ; 4.016118e-01 1.437818e-01 4.413343e-03 4.479596e-04 0.000485 0.001339 True native_MD 7 206 313 - CD_AB42_22 CB_AB42_36 1 0.000000e+00 1.296373e-05 ; 3.487834e-01 -1.296373e-05 8.162345e-03 1.409393e-03 0.000485 0.000060 True native_MD 7 206 314 - CD_AB42_22 CG1_AB42_36 1 0.000000e+00 4.694723e-06 ; 3.204762e-01 -4.694723e-06 7.964652e-03 1.322194e-03 0.000485 0.000060 True native_MD 7 206 315 - CD_AB42_22 CG2_AB42_36 1 0.000000e+00 4.702562e-06 ; 3.205208e-01 -4.702562e-06 5.986346e-03 1.002611e-03 0.000485 0.000060 True native_MD 7 206 316 + CD_AB42_22 CB_AB42_36 1 0.000000e+00 1.296366e-05 ; 3.487833e-01 -1.296366e-05 8.162345e-03 1.409393e-03 0.000485 0.000060 True native_MD 7 206 314 + CD_AB42_22 CG1_AB42_36 1 0.000000e+00 4.694661e-06 ; 3.204759e-01 -4.694661e-06 7.964652e-03 1.322194e-03 0.000485 0.000060 True native_MD 7 206 315 + CD_AB42_22 CG2_AB42_36 1 0.000000e+00 4.702501e-06 ; 3.205204e-01 -4.702501e-06 5.986346e-03 1.002611e-03 0.000485 0.000060 True native_MD 7 206 316 CD_AB42_22 C_AB42_36 1 2.206668e-03 9.381676e-06 ; 4.024920e-01 1.297578e-01 2.900694e-03 1.805807e-04 0.000485 0.002166 True native_MD 7 206 317 CD_AB42_22 O_AB42_36 1 8.347681e-04 1.549782e-06 ; 3.505776e-01 1.124090e-01 1.725942e-03 3.107678e-04 0.000485 0.002166 True native_MD 7 206 318 CD_AB42_22 N_AB42_37 1 7.580584e-04 9.111454e-07 ; 3.260725e-01 1.576731e-01 6.688190e-03 2.364500e-04 0.000485 0.002166 True native_MD 7 206 319 @@ -41868,28 +41868,28 @@ CE2_AB42_20 C_AB42_42 1 1.357245e-03 5.191422e-06 ; 3.954619e-01 8.870953 CD_AB42_22 O_AB42_38 1 1.172727e-03 1.768796e-06 ; 3.386466e-01 1.943822e-01 2.006337e-02 5.229443e-04 0.000485 0.002166 True native_MD 7 206 328 CD_AB42_22 N_AB42_39 1 5.858133e-04 7.073889e-07 ; 3.263246e-01 1.212831e-01 2.250915e-03 2.499927e-04 0.000485 0.002166 True native_MD 7 206 329 CD_AB42_22 CA_AB42_39 1 3.268537e-03 1.605167e-05 ; 4.122821e-01 1.663898e-01 8.681518e-03 7.707251e-04 0.000485 0.001339 True native_MD 7 206 331 - CD_AB42_22 CB_AB42_39 1 0.000000e+00 1.302007e-05 ; 3.489095e-01 -1.302007e-05 3.641904e-03 1.205860e-03 0.000485 0.000060 True native_MD 7 206 332 - CD_AB42_22 CG1_AB42_39 1 0.000000e+00 4.720626e-06 ; 3.206232e-01 -4.720626e-06 2.555805e-03 1.394226e-03 0.000485 0.000060 True native_MD 7 206 333 - CD_AB42_22 CG2_AB42_39 1 0.000000e+00 4.717193e-06 ; 3.206038e-01 -4.717193e-06 2.910894e-03 1.023006e-03 0.000485 0.000060 True native_MD 7 206 334 + CD_AB42_22 CB_AB42_39 1 0.000000e+00 1.302000e-05 ; 3.489093e-01 -1.302000e-05 3.641904e-03 1.205860e-03 0.000485 0.000060 True native_MD 7 206 332 + CD_AB42_22 CG1_AB42_39 1 0.000000e+00 4.720564e-06 ; 3.206229e-01 -4.720564e-06 2.555805e-03 1.394226e-03 0.000485 0.000060 True native_MD 7 206 333 + CD_AB42_22 CG2_AB42_39 1 0.000000e+00 4.717132e-06 ; 3.206034e-01 -4.717132e-06 2.910894e-03 1.023006e-03 0.000485 0.000060 True native_MD 7 206 334 CD_AB42_22 C_AB42_39 1 2.652980e-03 1.292767e-05 ; 4.117476e-01 1.361093e-01 3.507928e-03 1.034142e-04 0.000485 0.002166 True native_MD 7 206 335 CD_AB42_22 O_AB42_39 1 9.860558e-04 2.368379e-06 ; 3.659527e-01 1.026342e-01 1.288206e-03 1.492135e-04 0.000485 0.002166 True native_MD 7 206 336 CD_AB42_22 N_AB42_40 1 7.385455e-04 1.066884e-06 ; 3.362198e-01 1.278137e-01 2.736750e-03 7.748823e-06 0.000485 0.002166 True native_MD 7 206 337 CD_AB42_22 CA_AB42_40 1 3.520448e-03 1.489086e-05 ; 4.021490e-01 2.080731e-01 3.022316e-02 2.895996e-04 0.000485 0.001339 True native_MD 7 206 339 CD_AB42_22 CB_AB42_40 1 1.791929e-03 6.350828e-06 ; 3.904675e-01 1.264012e-01 3.926742e-02 8.937966e-04 0.000485 0.000060 True native_MD 7 206 340 CD_AB42_22 CG1_AB42_40 1 1.079422e-03 2.552787e-06 ; 3.650092e-01 1.141060e-01 2.269408e-02 7.463029e-04 0.000485 0.000060 True native_MD 7 206 341 - CD_AB42_22 CG2_AB42_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 342 + CD_AB42_22 CG2_AB42_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 342 CD_AB42_22 C_AB42_40 1 1.479859e-03 5.261710e-06 ; 3.906769e-01 1.040529e-01 1.344076e-03 5.003393e-05 0.000485 0.002166 True native_MD 7 206 343 CD_AB42_22 N_AB42_41 1 5.897436e-04 8.291476e-07 ; 3.347044e-01 1.048660e-01 1.377183e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 206 345 CD_AB42_22 CA_AB42_41 1 2.692244e-03 1.479549e-05 ; 4.200837e-01 1.224728e-01 2.332497e-03 4.441622e-04 0.000485 0.001339 True native_MD 7 206 347 - CD_AB42_22 CB_AB42_41 1 0.000000e+00 1.302803e-05 ; 3.489273e-01 -1.302803e-05 2.956208e-03 1.130377e-03 0.000485 0.000060 True native_MD 7 206 348 - CD_AB42_22 CG1_AB42_41 1 0.000000e+00 6.322759e-06 ; 3.285266e-01 -6.322759e-06 2.576524e-03 8.078823e-04 0.000485 0.000060 True native_MD 7 206 349 - CD_AB42_22 CG2_AB42_41 1 0.000000e+00 4.723841e-06 ; 3.206414e-01 -4.723841e-06 1.825098e-03 1.343738e-03 0.000485 0.000060 True native_MD 7 206 350 - CD_AB42_22 CD_AB42_41 1 0.000000e+00 4.713448e-06 ; 3.205826e-01 -4.713448e-06 3.885233e-03 1.204880e-03 0.000485 0.000060 True native_MD 7 206 351 + CD_AB42_22 CB_AB42_41 1 0.000000e+00 1.302797e-05 ; 3.489271e-01 -1.302797e-05 2.956208e-03 1.130377e-03 0.000485 0.000060 True native_MD 7 206 348 + CD_AB42_22 CG1_AB42_41 1 0.000000e+00 6.322652e-06 ; 3.285261e-01 -6.322652e-06 2.576524e-03 8.078823e-04 0.000485 0.000060 True native_MD 7 206 349 + CD_AB42_22 CG2_AB42_41 1 0.000000e+00 4.723779e-06 ; 3.206411e-01 -4.723779e-06 1.825098e-03 1.343738e-03 0.000485 0.000060 True native_MD 7 206 350 + CD_AB42_22 CD_AB42_41 1 0.000000e+00 4.713386e-06 ; 3.205822e-01 -4.713386e-06 3.885233e-03 1.204880e-03 0.000485 0.000060 True native_MD 7 206 351 CD_AB42_22 CA_AB42_42 1 2.204832e-03 1.189077e-05 ; 4.187669e-01 1.022071e-01 1.476639e-03 1.554390e-03 0.000485 0.001339 True native_MD 7 206 356 - CD_AB42_22 CB_AB42_42 1 0.000000e+00 4.723852e-06 ; 3.206415e-01 -4.723852e-06 1.892511e-03 1.413441e-03 0.000485 0.000060 True native_MD 7 206 357 + CD_AB42_22 CB_AB42_42 1 0.000000e+00 4.723790e-06 ; 3.206411e-01 -4.723790e-06 1.892511e-03 1.413441e-03 0.000485 0.000060 True native_MD 7 206 357 OE1_AB42_22 OE1_AB42_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 207 OE1_AB42_22 OE2_AB42_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 208 -OE1_AB42_22 C_AB42_22 1 0.000000e+00 6.063549e-07 ; 2.702230e-01 -6.063549e-07 1.208059e-01 2.662251e-02 0.000485 0.000060 True native_MD 5 207 209 +OE1_AB42_22 C_AB42_22 1 0.000000e+00 6.063522e-07 ; 2.702229e-01 -6.063522e-07 1.208059e-01 2.662251e-02 0.000485 0.000060 True native_MD 5 207 209 OE1_AB42_22 O_AB42_22 1 0.000000e+00 1.484404e-06 ; 2.911551e-01 -1.484404e-06 6.514124e-02 5.474379e-02 0.000485 0.000060 True native_MD 6 207 210 OE1_AB42_22 N_AB42_23 1 8.862934e-05 2.708697e-08 ; 2.595357e-01 7.249944e-02 1.761291e-01 2.011778e-02 0.000485 0.000060 True native_MD 6 207 211 OE1_AB42_22 H_AB42_23 1 1.247252e-05 1.616402e-10 ; 1.532613e-01 2.406019e-01 8.000292e-02 2.020256e-03 0.000485 0.005316 True native_MD 7 207 212 @@ -41903,8 +41903,8 @@ OE1_AB42_22 O_AB42_23 1 2.453657e-04 2.136641e-07 ; 3.090198e-01 7.044269 OE1_AB42_22 N_AB42_24 1 2.525457e-04 8.730523e-08 ; 2.649212e-01 1.826331e-01 2.842336e-02 4.361630e-03 0.000485 0.002166 True native_MD 7 207 220 OE1_AB42_22 H_AB42_24 1 9.025929e-06 1.130317e-10 ; 1.523882e-01 1.801870e-01 1.311939e-02 2.038820e-04 0.000485 0.005316 True native_MD 7 207 221 OE1_AB42_22 CA_AB42_24 1 9.117258e-04 1.383162e-06 ; 3.389754e-01 1.502434e-01 2.342260e-02 5.856278e-03 0.000485 0.001339 True native_MD 7 207 222 -OE1_AB42_22 CB_AB42_24 1 0.000000e+00 3.283235e-06 ; 3.110667e-01 -3.283235e-06 3.979359e-02 1.630477e-02 0.000485 0.000060 True native_MD 7 207 223 -OE1_AB42_22 CG1_AB42_24 1 0.000000e+00 1.211220e-06 ; 2.862619e-01 -1.211220e-06 1.483383e-02 9.704572e-03 0.000485 0.000060 True native_MD 7 207 224 +OE1_AB42_22 CB_AB42_24 1 0.000000e+00 3.283262e-06 ; 3.110669e-01 -3.283262e-06 3.979359e-02 1.630477e-02 0.000485 0.000060 True native_MD 7 207 223 +OE1_AB42_22 CG1_AB42_24 1 0.000000e+00 1.211221e-06 ; 2.862619e-01 -1.211221e-06 1.483383e-02 9.704572e-03 0.000485 0.000060 True native_MD 7 207 224 OE1_AB42_22 CG2_AB42_24 1 0.000000e+00 1.199721e-06 ; 2.860345e-01 -1.199721e-06 3.675038e-02 2.217545e-02 0.000485 0.000060 True native_MD 7 207 225 OE1_AB42_22 C_AB42_24 1 6.536525e-04 8.801485e-07 ; 3.323034e-01 1.213607e-01 3.692234e-03 3.544820e-03 0.000485 0.002166 True native_MD 7 207 226 OE1_AB42_22 O_AB42_24 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 227 @@ -41923,7 +41923,7 @@ OE1_AB42_22 O_AB42_26 1 3.547328e-04 3.772296e-07 ; 3.194852e-01 8.339442 OE1_AB42_22 N_AB42_27 1 2.638034e-04 9.162109e-08 ; 2.651261e-01 1.898914e-01 1.754039e-02 2.038845e-03 0.000485 0.002166 True native_MD 7 207 240 OE1_AB42_22 H_AB42_27 1 5.995802e-06 6.777843e-11 ; 1.498100e-01 1.325999e-01 3.158200e-03 5.555775e-04 0.000485 0.005316 True native_MD 7 207 241 OE1_AB42_22 CA_AB42_27 1 7.207427e-04 7.052682e-07 ; 3.150859e-01 1.841392e-01 3.505828e-02 3.178666e-03 0.000485 0.001339 True native_MD 7 207 242 -OE1_AB42_22 CB_AB42_27 1 0.000000e+00 1.585015e-06 ; 2.927506e-01 -1.585015e-06 3.306382e-02 4.480868e-03 0.000485 0.000060 True native_MD 7 207 243 +OE1_AB42_22 CB_AB42_27 1 0.000000e+00 1.585009e-06 ; 2.927505e-01 -1.585009e-06 3.306382e-02 4.480868e-03 0.000485 0.000060 True native_MD 7 207 243 OE1_AB42_22 CG_AB42_27 1 8.406069e-04 9.493498e-07 ; 3.227049e-01 1.860800e-01 2.443619e-02 3.382231e-03 0.000485 0.002166 True native_MD 7 207 244 OE1_AB42_22 OD1_AB42_27 1 0.000000e+00 1.478127e-06 ; 2.910523e-01 -1.478127e-06 2.247339e-02 7.891192e-03 0.000485 0.000060 True native_MD 7 207 245 OE1_AB42_22 ND2_AB42_27 1 1.874612e-04 4.766045e-08 ; 2.516949e-01 1.843337e-01 4.231054e-02 6.170605e-03 0.000485 0.002166 True native_MD 7 207 246 @@ -41947,14 +41947,14 @@ OE1_AB42_22 O_AB42_29 1 0.000000e+00 1.481564e-06 ; 2.911086e-01 -1.481564 OE1_AB42_22 N_AB42_30 1 2.115355e-04 5.527966e-08 ; 2.528504e-01 2.023677e-01 2.547939e-02 1.566013e-03 0.000485 0.002166 True native_MD 7 207 264 OE1_AB42_22 H_AB42_30 1 4.959982e-06 3.624411e-11 ; 1.393027e-01 1.696926e-01 9.583437e-03 1.750600e-04 0.000485 0.005316 True native_MD 7 207 265 OE1_AB42_22 CA_AB42_30 1 8.569454e-04 1.050431e-06 ; 3.271416e-01 1.747748e-01 2.505289e-02 3.006201e-03 0.000485 0.001339 True native_MD 7 207 266 -OE1_AB42_22 CB_AB42_30 1 0.000000e+00 1.194070e-06 ; 2.859219e-01 -1.194070e-06 2.252677e-02 3.310726e-03 0.000485 0.000060 True native_MD 7 207 267 +OE1_AB42_22 CB_AB42_30 1 0.000000e+00 1.194071e-06 ; 2.859220e-01 -1.194071e-06 2.252677e-02 3.310726e-03 0.000485 0.000060 True native_MD 7 207 267 OE1_AB42_22 C_AB42_30 1 6.920142e-04 8.243601e-07 ; 3.255870e-01 1.452289e-01 4.608664e-03 3.790934e-04 0.000485 0.002166 True native_MD 7 207 268 OE1_AB42_22 O_AB42_30 1 4.195191e-04 6.148571e-07 ; 3.370314e-01 7.155982e-02 1.240286e-02 1.457078e-03 0.000485 0.000060 True native_MD 7 207 269 OE1_AB42_22 N_AB42_31 1 1.746981e-04 4.915643e-08 ; 2.559855e-01 1.552159e-01 6.214014e-03 4.331569e-04 0.000485 0.002166 True native_MD 7 207 270 OE1_AB42_22 H_AB42_31 1 5.170848e-06 5.566911e-11 ; 1.485966e-01 1.200741e-01 2.170931e-03 1.000464e-04 0.000485 0.005316 True native_MD 7 207 271 OE1_AB42_22 CA_AB42_31 1 6.695730e-04 7.170428e-07 ; 3.198585e-01 1.563114e-01 6.421123e-03 8.489313e-04 0.000485 0.001339 True native_MD 7 207 272 -OE1_AB42_22 CB_AB42_31 1 0.000000e+00 3.340912e-06 ; 3.115184e-01 -3.340912e-06 7.897683e-03 1.563321e-03 0.000485 0.000060 True native_MD 7 207 273 -OE1_AB42_22 CG1_AB42_31 1 0.000000e+00 1.626470e-06 ; 2.933811e-01 -1.626470e-06 4.306832e-03 1.131061e-03 0.000485 0.000060 True native_MD 7 207 274 +OE1_AB42_22 CB_AB42_31 1 0.000000e+00 3.340939e-06 ; 3.115186e-01 -3.340939e-06 7.897683e-03 1.563321e-03 0.000485 0.000060 True native_MD 7 207 273 +OE1_AB42_22 CG1_AB42_31 1 0.000000e+00 1.626465e-06 ; 2.933810e-01 -1.626465e-06 4.306832e-03 1.131061e-03 0.000485 0.000060 True native_MD 7 207 274 OE1_AB42_22 CG2_AB42_31 1 0.000000e+00 1.209679e-06 ; 2.862316e-01 -1.209679e-06 8.168919e-03 1.773729e-03 0.000485 0.000060 True native_MD 7 207 275 OE1_AB42_22 CD_AB42_31 1 0.000000e+00 1.212934e-06 ; 2.862957e-01 -1.212934e-06 6.099164e-03 2.377313e-03 0.000485 0.000060 True native_MD 7 207 276 OE1_AB42_22 C_AB42_31 1 5.537076e-04 6.550244e-07 ; 3.252092e-01 1.170155e-01 1.981048e-03 1.601217e-04 0.000485 0.002166 True native_MD 7 207 277 @@ -41963,9 +41963,9 @@ OE1_AB42_22 N_AB42_32 1 1.701808e-04 5.043391e-08 ; 2.582074e-01 1.435617 OE1_AB42_22 H_AB42_32 1 6.085481e-06 7.819180e-11 ; 1.530421e-01 1.184046e-01 2.065137e-03 5.003417e-05 0.000485 0.005316 True native_MD 7 207 280 OE1_AB42_22 CA_AB42_32 1 1.115649e-03 2.143655e-06 ; 3.525910e-01 1.451579e-01 4.598876e-03 6.262553e-04 0.000485 0.001339 True native_MD 7 207 281 OE1_AB42_22 CB_AB42_32 1 5.219930e-04 8.379257e-07 ; 3.421817e-01 8.129499e-02 1.140528e-02 1.001249e-03 0.000485 0.000060 True native_MD 7 207 282 -OE1_AB42_22 CG1_AB42_32 1 0.000000e+00 1.618391e-06 ; 2.932594e-01 -1.618391e-06 9.269008e-03 1.141445e-03 0.000485 0.000060 True native_MD 7 207 283 +OE1_AB42_22 CG1_AB42_32 1 0.000000e+00 1.618385e-06 ; 2.932593e-01 -1.618385e-06 9.269008e-03 1.141445e-03 0.000485 0.000060 True native_MD 7 207 283 OE1_AB42_22 CG2_AB42_32 1 3.641036e-04 4.183328e-07 ; 3.236305e-01 7.922604e-02 1.214417e-02 1.134210e-03 0.000485 0.000060 True native_MD 7 207 284 -OE1_AB42_22 CD_AB42_32 1 0.000000e+00 1.203613e-06 ; 2.861117e-01 -1.203613e-06 1.345015e-02 2.072701e-03 0.000485 0.000060 True native_MD 7 207 285 +OE1_AB42_22 CD_AB42_32 1 0.000000e+00 1.203614e-06 ; 2.861117e-01 -1.203614e-06 1.345015e-02 2.072701e-03 0.000485 0.000060 True native_MD 7 207 285 OE1_AB42_22 C_AB42_32 1 7.734116e-04 1.434383e-06 ; 3.505170e-01 1.042549e-01 1.352226e-03 3.244195e-04 0.000485 0.002166 True native_MD 7 207 286 OE1_AB42_22 O_AB42_32 1 3.216183e-04 2.804090e-07 ; 3.090831e-01 9.222093e-02 1.351319e-02 8.554472e-04 0.000485 0.000060 True native_MD 7 207 287 OE1_AB42_22 N_AB42_33 1 1.917778e-04 7.892612e-08 ; 2.727326e-01 1.164973e-01 1.950566e-03 7.179599e-04 0.000485 0.002166 True native_MD 7 207 288 @@ -41977,7 +41977,7 @@ OE1_AB42_22 N_AB42_34 1 1.835418e-04 5.959227e-08 ; 2.621657e-01 1.413254 OE1_AB42_22 H_AB42_34 1 4.074024e-06 4.712416e-11 ; 1.503846e-01 8.805286e-02 8.326782e-04 1.256644e-04 0.000485 0.005316 True native_MD 7 207 294 OE1_AB42_22 CA_AB42_34 1 8.215663e-04 1.036947e-06 ; 3.287398e-01 1.627303e-01 7.781000e-03 4.902594e-04 0.000485 0.001339 True native_MD 7 207 295 OE1_AB42_22 CB_AB42_34 1 4.260105e-04 6.099063e-07 ; 3.357174e-01 7.439050e-02 3.929390e-03 4.241277e-04 0.000485 0.000060 True native_MD 7 207 296 -OE1_AB42_22 CG_AB42_34 1 0.000000e+00 3.345858e-06 ; 3.115568e-01 -3.345858e-06 6.092360e-03 1.228983e-03 0.000485 0.000060 True native_MD 7 207 297 +OE1_AB42_22 CG_AB42_34 1 0.000000e+00 3.345885e-06 ; 3.115571e-01 -3.345885e-06 6.092360e-03 1.228983e-03 0.000485 0.000060 True native_MD 7 207 297 OE1_AB42_22 CD1_AB42_34 1 3.039347e-04 3.291438e-07 ; 3.204554e-01 7.016409e-02 9.547249e-03 1.169443e-03 0.000485 0.000060 True native_MD 7 207 298 OE1_AB42_22 CD2_AB42_34 1 0.000000e+00 1.212852e-06 ; 2.862940e-01 -1.212852e-06 4.729828e-03 9.404507e-04 0.000485 0.000060 True native_MD 7 207 299 OE1_AB42_22 C_AB42_34 1 4.836321e-04 6.416779e-07 ; 3.314874e-01 9.112828e-02 9.129508e-04 6.314315e-05 0.000485 0.002166 True native_MD 7 207 300 @@ -41985,17 +41985,17 @@ OE1_AB42_22 O_AB42_34 1 4.921833e-04 6.215470e-07 ; 3.287692e-01 9.743608 OE1_AB42_22 N_AB42_35 1 1.070709e-04 3.667302e-08 ; 2.645123e-01 7.815137e-02 6.191427e-04 2.012167e-04 0.000485 0.002166 True native_MD 7 207 302 OE1_AB42_22 H_AB42_35 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 303 OE1_AB42_22 CA_AB42_35 1 4.603880e-04 5.080370e-07 ; 3.214612e-01 1.043020e-01 1.354134e-03 4.899050e-04 0.000485 0.001339 True native_MD 7 207 304 -OE1_AB42_22 CB_AB42_35 1 0.000000e+00 1.629960e-06 ; 2.934335e-01 -1.629960e-06 1.468347e-03 4.313175e-04 0.000485 0.000060 True native_MD 7 207 305 -OE1_AB42_22 CG_AB42_35 1 0.000000e+00 1.631170e-06 ; 2.934517e-01 -1.631170e-06 1.100851e-03 8.051108e-04 0.000485 0.000060 True native_MD 7 207 306 +OE1_AB42_22 CB_AB42_35 1 0.000000e+00 1.629954e-06 ; 2.934335e-01 -1.629954e-06 1.468347e-03 4.313175e-04 0.000485 0.000060 True native_MD 7 207 305 +OE1_AB42_22 CG_AB42_35 1 0.000000e+00 1.631164e-06 ; 2.934516e-01 -1.631164e-06 1.100851e-03 8.051108e-04 0.000485 0.000060 True native_MD 7 207 306 OE1_AB42_22 CE_AB42_35 1 0.000000e+00 1.217636e-06 ; 2.863880e-01 -1.217636e-06 1.173269e-03 1.313248e-03 0.000485 0.000060 True native_MD 7 207 308 OE1_AB42_22 C_AB42_35 1 3.965703e-04 4.677712e-07 ; 3.250515e-01 8.405179e-02 7.387144e-04 7.201970e-05 0.000485 0.002166 True native_MD 7 207 309 OE1_AB42_22 O_AB42_35 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 310 OE1_AB42_22 N_AB42_36 1 1.161317e-04 3.180397e-08 ; 2.548327e-01 1.060132e-01 1.425286e-03 2.000405e-04 0.000485 0.002166 True native_MD 7 207 311 OE1_AB42_22 H_AB42_36 1 4.486620e-06 5.898992e-11 ; 1.536301e-01 8.531016e-02 7.670634e-04 0.000000e+00 0.000485 0.005316 True native_MD 7 207 312 OE1_AB42_22 CA_AB42_36 1 5.322049e-04 6.274584e-07 ; 3.250257e-01 1.128529e-01 1.749021e-03 4.191754e-04 0.000485 0.001339 True native_MD 7 207 313 -OE1_AB42_22 CB_AB42_36 1 0.000000e+00 3.353219e-06 ; 3.116139e-01 -3.353219e-06 3.565206e-03 8.913359e-04 0.000485 0.000060 True native_MD 7 207 314 -OE1_AB42_22 CG1_AB42_36 1 0.000000e+00 1.215342e-06 ; 2.863430e-01 -1.215342e-06 2.930606e-03 1.187032e-03 0.000485 0.000060 True native_MD 7 207 315 -OE1_AB42_22 CG2_AB42_36 1 0.000000e+00 1.214449e-06 ; 2.863254e-01 -1.214449e-06 3.011903e-03 5.347111e-04 0.000485 0.000060 True native_MD 7 207 316 +OE1_AB42_22 CB_AB42_36 1 0.000000e+00 3.353247e-06 ; 3.116141e-01 -3.353247e-06 3.565206e-03 8.913359e-04 0.000485 0.000060 True native_MD 7 207 314 +OE1_AB42_22 CG1_AB42_36 1 0.000000e+00 1.215343e-06 ; 2.863430e-01 -1.215343e-06 2.930606e-03 1.187032e-03 0.000485 0.000060 True native_MD 7 207 315 +OE1_AB42_22 CG2_AB42_36 1 0.000000e+00 1.214450e-06 ; 2.863255e-01 -1.214450e-06 3.011903e-03 5.347111e-04 0.000485 0.000060 True native_MD 7 207 316 OE1_AB42_22 C_AB42_36 1 4.450267e-04 5.014487e-07 ; 3.225820e-01 9.873832e-02 1.146443e-03 1.522241e-04 0.000485 0.002166 True native_MD 7 207 317 OE1_AB42_22 O_AB42_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 318 OE1_AB42_22 N_AB42_37 1 2.464229e-04 8.563819e-08 ; 2.651537e-01 1.772697e-01 1.202262e-02 3.680500e-04 0.000485 0.002166 True native_MD 7 207 319 @@ -42011,7 +42011,7 @@ OE1_AB42_22 O_AB42_38 1 4.817393e-04 4.979999e-07 ; 3.179822e-01 1.165024 OE1_AB42_22 N_AB42_39 1 3.303965e-04 2.373586e-07 ; 2.992689e-01 1.149756e-01 1.863731e-03 4.727460e-04 0.000485 0.002166 True native_MD 7 207 329 OE1_AB42_22 H_AB42_39 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 330 OE1_AB42_22 CA_AB42_39 1 6.187472e-04 8.195581e-07 ; 3.313938e-01 1.167849e-01 1.967424e-03 5.807573e-04 0.000485 0.001339 True native_MD 7 207 331 -OE1_AB42_22 CB_AB42_39 1 0.000000e+00 3.360641e-06 ; 3.116713e-01 -3.360641e-06 1.534908e-03 1.068594e-03 0.000485 0.000060 True native_MD 7 207 332 +OE1_AB42_22 CB_AB42_39 1 0.000000e+00 3.360669e-06 ; 3.116715e-01 -3.360669e-06 1.534908e-03 1.068594e-03 0.000485 0.000060 True native_MD 7 207 332 OE1_AB42_22 CG1_AB42_39 1 0.000000e+00 1.217247e-06 ; 2.863804e-01 -1.217247e-06 1.436894e-03 1.257587e-03 0.000485 0.000060 True native_MD 7 207 333 OE1_AB42_22 CG2_AB42_39 1 0.000000e+00 1.216643e-06 ; 2.863685e-01 -1.216643e-06 1.458225e-03 7.829790e-04 0.000485 0.000060 True native_MD 7 207 334 OE1_AB42_22 C_AB42_39 1 5.035238e-04 7.049252e-07 ; 3.344674e-01 8.991600e-02 8.804238e-04 3.907094e-07 0.000485 0.002166 True native_MD 7 207 335 @@ -42027,8 +42027,8 @@ OE1_AB42_22 O_AB42_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 OE1_AB42_22 N_AB42_41 1 9.508460e-05 2.333762e-08 ; 2.502214e-01 9.685091e-02 1.083484e-03 6.521631e-05 0.000485 0.002166 True native_MD 7 207 345 OE1_AB42_22 H_AB42_41 1 3.352417e-06 3.792924e-11 ; 1.498313e-01 7.407676e-02 5.480680e-04 0.000000e+00 0.000485 0.005316 True native_MD 7 207 346 OE1_AB42_22 CA_AB42_41 1 5.125678e-04 6.637632e-07 ; 3.301492e-01 9.895311e-02 1.153836e-03 3.950124e-04 0.000485 0.001339 True native_MD 7 207 347 -OE1_AB42_22 CB_AB42_41 1 0.000000e+00 3.359240e-06 ; 3.116605e-01 -3.359240e-06 1.524876e-03 6.417085e-04 0.000485 0.000060 True native_MD 7 207 348 -OE1_AB42_22 CG1_AB42_41 1 0.000000e+00 1.630518e-06 ; 2.934419e-01 -1.630518e-06 1.235725e-03 5.403943e-04 0.000485 0.000060 True native_MD 7 207 349 +OE1_AB42_22 CB_AB42_41 1 0.000000e+00 3.359267e-06 ; 3.116607e-01 -3.359267e-06 1.524876e-03 6.417085e-04 0.000485 0.000060 True native_MD 7 207 348 +OE1_AB42_22 CG1_AB42_41 1 0.000000e+00 1.630512e-06 ; 2.934418e-01 -1.630512e-06 1.235725e-03 5.403943e-04 0.000485 0.000060 True native_MD 7 207 349 OE1_AB42_22 CG2_AB42_41 1 0.000000e+00 1.217594e-06 ; 2.863872e-01 -1.217594e-06 8.413233e-04 9.468531e-04 0.000485 0.000060 True native_MD 7 207 350 OE1_AB42_22 CD_AB42_41 1 0.000000e+00 1.217062e-06 ; 2.863767e-01 -1.217062e-06 1.205004e-03 8.740474e-04 0.000485 0.000060 True native_MD 7 207 351 OE1_AB42_22 C_AB42_41 1 3.768325e-04 4.894923e-07 ; 3.303185e-01 7.252551e-02 5.232068e-04 1.072026e-04 0.000485 0.002166 True native_MD 7 207 352 @@ -42039,7 +42039,7 @@ OE1_AB42_22 CB_AB42_42 1 0.000000e+00 1.217295e-06 ; 2.863813e-01 -1.217295 OE1_AB42_22 O1_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 359 OE1_AB42_22 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 360 OE2_AB42_22 OE2_AB42_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 208 -OE2_AB42_22 C_AB42_22 1 0.000000e+00 6.063549e-07 ; 2.702230e-01 -6.063549e-07 1.208059e-01 2.662251e-02 0.000485 0.000060 True native_MD 5 208 209 +OE2_AB42_22 C_AB42_22 1 0.000000e+00 6.063522e-07 ; 2.702229e-01 -6.063522e-07 1.208059e-01 2.662251e-02 0.000485 0.000060 True native_MD 5 208 209 OE2_AB42_22 O_AB42_22 1 0.000000e+00 1.484404e-06 ; 2.911551e-01 -1.484404e-06 6.514124e-02 5.474379e-02 0.000485 0.000060 True native_MD 6 208 210 OE2_AB42_22 N_AB42_23 1 8.862934e-05 2.708697e-08 ; 2.595357e-01 7.249944e-02 1.761291e-01 2.011778e-02 0.000485 0.000060 True native_MD 6 208 211 OE2_AB42_22 H_AB42_23 1 1.247252e-05 1.616402e-10 ; 1.532613e-01 2.406019e-01 8.000292e-02 2.020256e-03 0.000485 0.005316 True native_MD 7 208 212 @@ -42053,8 +42053,8 @@ OE2_AB42_22 O_AB42_23 1 2.453657e-04 2.136641e-07 ; 3.090198e-01 7.044269 OE2_AB42_22 N_AB42_24 1 2.525457e-04 8.730523e-08 ; 2.649212e-01 1.826331e-01 2.842336e-02 4.361630e-03 0.000485 0.002166 True native_MD 7 208 220 OE2_AB42_22 H_AB42_24 1 9.025929e-06 1.130317e-10 ; 1.523882e-01 1.801870e-01 1.311939e-02 2.038820e-04 0.000485 0.005316 True native_MD 7 208 221 OE2_AB42_22 CA_AB42_24 1 9.117258e-04 1.383162e-06 ; 3.389754e-01 1.502434e-01 2.342260e-02 5.856278e-03 0.000485 0.001339 True native_MD 7 208 222 -OE2_AB42_22 CB_AB42_24 1 0.000000e+00 3.283235e-06 ; 3.110667e-01 -3.283235e-06 3.979359e-02 1.630477e-02 0.000485 0.000060 True native_MD 7 208 223 -OE2_AB42_22 CG1_AB42_24 1 0.000000e+00 1.211220e-06 ; 2.862619e-01 -1.211220e-06 1.483383e-02 9.704572e-03 0.000485 0.000060 True native_MD 7 208 224 +OE2_AB42_22 CB_AB42_24 1 0.000000e+00 3.283262e-06 ; 3.110669e-01 -3.283262e-06 3.979359e-02 1.630477e-02 0.000485 0.000060 True native_MD 7 208 223 +OE2_AB42_22 CG1_AB42_24 1 0.000000e+00 1.211221e-06 ; 2.862619e-01 -1.211221e-06 1.483383e-02 9.704572e-03 0.000485 0.000060 True native_MD 7 208 224 OE2_AB42_22 CG2_AB42_24 1 0.000000e+00 1.199721e-06 ; 2.860345e-01 -1.199721e-06 3.675038e-02 2.217545e-02 0.000485 0.000060 True native_MD 7 208 225 OE2_AB42_22 C_AB42_24 1 6.536525e-04 8.801485e-07 ; 3.323034e-01 1.213607e-01 3.692234e-03 3.544820e-03 0.000485 0.002166 True native_MD 7 208 226 OE2_AB42_22 O_AB42_24 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 227 @@ -42073,7 +42073,7 @@ OE2_AB42_22 O_AB42_26 1 3.547328e-04 3.772296e-07 ; 3.194852e-01 8.339442 OE2_AB42_22 N_AB42_27 1 2.638034e-04 9.162109e-08 ; 2.651261e-01 1.898914e-01 1.754039e-02 2.038845e-03 0.000485 0.002166 True native_MD 7 208 240 OE2_AB42_22 H_AB42_27 1 5.995802e-06 6.777843e-11 ; 1.498100e-01 1.325999e-01 3.158200e-03 5.555775e-04 0.000485 0.005316 True native_MD 7 208 241 OE2_AB42_22 CA_AB42_27 1 7.207427e-04 7.052682e-07 ; 3.150859e-01 1.841392e-01 3.505828e-02 3.178666e-03 0.000485 0.001339 True native_MD 7 208 242 -OE2_AB42_22 CB_AB42_27 1 0.000000e+00 1.585015e-06 ; 2.927506e-01 -1.585015e-06 3.306382e-02 4.480868e-03 0.000485 0.000060 True native_MD 7 208 243 +OE2_AB42_22 CB_AB42_27 1 0.000000e+00 1.585009e-06 ; 2.927505e-01 -1.585009e-06 3.306382e-02 4.480868e-03 0.000485 0.000060 True native_MD 7 208 243 OE2_AB42_22 CG_AB42_27 1 8.406069e-04 9.493498e-07 ; 3.227049e-01 1.860800e-01 2.443619e-02 3.382231e-03 0.000485 0.002166 True native_MD 7 208 244 OE2_AB42_22 OD1_AB42_27 1 0.000000e+00 1.478127e-06 ; 2.910523e-01 -1.478127e-06 2.247339e-02 7.891192e-03 0.000485 0.000060 True native_MD 7 208 245 OE2_AB42_22 ND2_AB42_27 1 1.874612e-04 4.766045e-08 ; 2.516949e-01 1.843337e-01 4.231054e-02 6.170605e-03 0.000485 0.002166 True native_MD 7 208 246 @@ -42097,14 +42097,14 @@ OE2_AB42_22 O_AB42_29 1 0.000000e+00 1.481564e-06 ; 2.911086e-01 -1.481564 OE2_AB42_22 N_AB42_30 1 2.115355e-04 5.527966e-08 ; 2.528504e-01 2.023677e-01 2.547939e-02 1.566013e-03 0.000485 0.002166 True native_MD 7 208 264 OE2_AB42_22 H_AB42_30 1 4.959982e-06 3.624411e-11 ; 1.393027e-01 1.696926e-01 9.583437e-03 1.750600e-04 0.000485 0.005316 True native_MD 7 208 265 OE2_AB42_22 CA_AB42_30 1 8.569454e-04 1.050431e-06 ; 3.271416e-01 1.747748e-01 2.505289e-02 3.006201e-03 0.000485 0.001339 True native_MD 7 208 266 -OE2_AB42_22 CB_AB42_30 1 0.000000e+00 1.194070e-06 ; 2.859219e-01 -1.194070e-06 2.252677e-02 3.310726e-03 0.000485 0.000060 True native_MD 7 208 267 +OE2_AB42_22 CB_AB42_30 1 0.000000e+00 1.194071e-06 ; 2.859220e-01 -1.194071e-06 2.252677e-02 3.310726e-03 0.000485 0.000060 True native_MD 7 208 267 OE2_AB42_22 C_AB42_30 1 6.920142e-04 8.243601e-07 ; 3.255870e-01 1.452289e-01 4.608664e-03 3.790934e-04 0.000485 0.002166 True native_MD 7 208 268 OE2_AB42_22 O_AB42_30 1 4.195191e-04 6.148571e-07 ; 3.370314e-01 7.155982e-02 1.240286e-02 1.457078e-03 0.000485 0.000060 True native_MD 7 208 269 OE2_AB42_22 N_AB42_31 1 1.746981e-04 4.915643e-08 ; 2.559855e-01 1.552159e-01 6.214014e-03 4.331569e-04 0.000485 0.002166 True native_MD 7 208 270 OE2_AB42_22 H_AB42_31 1 5.170848e-06 5.566911e-11 ; 1.485966e-01 1.200741e-01 2.170931e-03 1.000464e-04 0.000485 0.005316 True native_MD 7 208 271 OE2_AB42_22 CA_AB42_31 1 6.695730e-04 7.170428e-07 ; 3.198585e-01 1.563114e-01 6.421123e-03 8.489313e-04 0.000485 0.001339 True native_MD 7 208 272 -OE2_AB42_22 CB_AB42_31 1 0.000000e+00 3.340912e-06 ; 3.115184e-01 -3.340912e-06 7.897683e-03 1.563321e-03 0.000485 0.000060 True native_MD 7 208 273 -OE2_AB42_22 CG1_AB42_31 1 0.000000e+00 1.626470e-06 ; 2.933811e-01 -1.626470e-06 4.306832e-03 1.131061e-03 0.000485 0.000060 True native_MD 7 208 274 +OE2_AB42_22 CB_AB42_31 1 0.000000e+00 3.340939e-06 ; 3.115186e-01 -3.340939e-06 7.897683e-03 1.563321e-03 0.000485 0.000060 True native_MD 7 208 273 +OE2_AB42_22 CG1_AB42_31 1 0.000000e+00 1.626465e-06 ; 2.933810e-01 -1.626465e-06 4.306832e-03 1.131061e-03 0.000485 0.000060 True native_MD 7 208 274 OE2_AB42_22 CG2_AB42_31 1 0.000000e+00 1.209679e-06 ; 2.862316e-01 -1.209679e-06 8.168919e-03 1.773729e-03 0.000485 0.000060 True native_MD 7 208 275 OE2_AB42_22 CD_AB42_31 1 0.000000e+00 1.212934e-06 ; 2.862957e-01 -1.212934e-06 6.099164e-03 2.377313e-03 0.000485 0.000060 True native_MD 7 208 276 OE2_AB42_22 C_AB42_31 1 5.537076e-04 6.550244e-07 ; 3.252092e-01 1.170155e-01 1.981048e-03 1.601217e-04 0.000485 0.002166 True native_MD 7 208 277 @@ -42113,9 +42113,9 @@ OE2_AB42_22 N_AB42_32 1 1.701808e-04 5.043391e-08 ; 2.582074e-01 1.435617 OE2_AB42_22 H_AB42_32 1 6.085481e-06 7.819180e-11 ; 1.530421e-01 1.184046e-01 2.065137e-03 5.003417e-05 0.000485 0.005316 True native_MD 7 208 280 OE2_AB42_22 CA_AB42_32 1 1.115649e-03 2.143655e-06 ; 3.525910e-01 1.451579e-01 4.598876e-03 6.262553e-04 0.000485 0.001339 True native_MD 7 208 281 OE2_AB42_22 CB_AB42_32 1 5.219930e-04 8.379257e-07 ; 3.421817e-01 8.129499e-02 1.140528e-02 1.001249e-03 0.000485 0.000060 True native_MD 7 208 282 -OE2_AB42_22 CG1_AB42_32 1 0.000000e+00 1.618391e-06 ; 2.932594e-01 -1.618391e-06 9.269008e-03 1.141445e-03 0.000485 0.000060 True native_MD 7 208 283 +OE2_AB42_22 CG1_AB42_32 1 0.000000e+00 1.618385e-06 ; 2.932593e-01 -1.618385e-06 9.269008e-03 1.141445e-03 0.000485 0.000060 True native_MD 7 208 283 OE2_AB42_22 CG2_AB42_32 1 3.641036e-04 4.183328e-07 ; 3.236305e-01 7.922604e-02 1.214417e-02 1.134210e-03 0.000485 0.000060 True native_MD 7 208 284 -OE2_AB42_22 CD_AB42_32 1 0.000000e+00 1.203613e-06 ; 2.861117e-01 -1.203613e-06 1.345015e-02 2.072701e-03 0.000485 0.000060 True native_MD 7 208 285 +OE2_AB42_22 CD_AB42_32 1 0.000000e+00 1.203614e-06 ; 2.861117e-01 -1.203614e-06 1.345015e-02 2.072701e-03 0.000485 0.000060 True native_MD 7 208 285 OE2_AB42_22 C_AB42_32 1 7.734116e-04 1.434383e-06 ; 3.505170e-01 1.042549e-01 1.352226e-03 3.244195e-04 0.000485 0.002166 True native_MD 7 208 286 OE2_AB42_22 O_AB42_32 1 3.216183e-04 2.804090e-07 ; 3.090831e-01 9.222093e-02 1.351319e-02 8.554472e-04 0.000485 0.000060 True native_MD 7 208 287 OE2_AB42_22 N_AB42_33 1 1.917778e-04 7.892612e-08 ; 2.727326e-01 1.164973e-01 1.950566e-03 7.179599e-04 0.000485 0.002166 True native_MD 7 208 288 @@ -42127,7 +42127,7 @@ OE2_AB42_22 N_AB42_34 1 1.835418e-04 5.959227e-08 ; 2.621657e-01 1.413254 OE2_AB42_22 H_AB42_34 1 4.074024e-06 4.712416e-11 ; 1.503846e-01 8.805286e-02 8.326782e-04 1.256644e-04 0.000485 0.005316 True native_MD 7 208 294 OE2_AB42_22 CA_AB42_34 1 8.215663e-04 1.036947e-06 ; 3.287398e-01 1.627303e-01 7.781000e-03 4.902594e-04 0.000485 0.001339 True native_MD 7 208 295 OE2_AB42_22 CB_AB42_34 1 4.260105e-04 6.099063e-07 ; 3.357174e-01 7.439050e-02 3.929390e-03 4.241277e-04 0.000485 0.000060 True native_MD 7 208 296 -OE2_AB42_22 CG_AB42_34 1 0.000000e+00 3.345858e-06 ; 3.115568e-01 -3.345858e-06 6.092360e-03 1.228983e-03 0.000485 0.000060 True native_MD 7 208 297 +OE2_AB42_22 CG_AB42_34 1 0.000000e+00 3.345885e-06 ; 3.115571e-01 -3.345885e-06 6.092360e-03 1.228983e-03 0.000485 0.000060 True native_MD 7 208 297 OE2_AB42_22 CD1_AB42_34 1 3.039347e-04 3.291438e-07 ; 3.204554e-01 7.016409e-02 9.547249e-03 1.169443e-03 0.000485 0.000060 True native_MD 7 208 298 OE2_AB42_22 CD2_AB42_34 1 0.000000e+00 1.212852e-06 ; 2.862940e-01 -1.212852e-06 4.729828e-03 9.404507e-04 0.000485 0.000060 True native_MD 7 208 299 OE2_AB42_22 C_AB42_34 1 4.836321e-04 6.416779e-07 ; 3.314874e-01 9.112828e-02 9.129508e-04 6.314315e-05 0.000485 0.002166 True native_MD 7 208 300 @@ -42135,17 +42135,17 @@ OE2_AB42_22 O_AB42_34 1 4.921833e-04 6.215470e-07 ; 3.287692e-01 9.743608 OE2_AB42_22 N_AB42_35 1 1.070709e-04 3.667302e-08 ; 2.645123e-01 7.815137e-02 6.191427e-04 2.012167e-04 0.000485 0.002166 True native_MD 7 208 302 OE2_AB42_22 H_AB42_35 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 303 OE2_AB42_22 CA_AB42_35 1 4.603880e-04 5.080370e-07 ; 3.214612e-01 1.043020e-01 1.354134e-03 4.899050e-04 0.000485 0.001339 True native_MD 7 208 304 -OE2_AB42_22 CB_AB42_35 1 0.000000e+00 1.629960e-06 ; 2.934335e-01 -1.629960e-06 1.468347e-03 4.313175e-04 0.000485 0.000060 True native_MD 7 208 305 -OE2_AB42_22 CG_AB42_35 1 0.000000e+00 1.631170e-06 ; 2.934517e-01 -1.631170e-06 1.100851e-03 8.051108e-04 0.000485 0.000060 True native_MD 7 208 306 +OE2_AB42_22 CB_AB42_35 1 0.000000e+00 1.629954e-06 ; 2.934335e-01 -1.629954e-06 1.468347e-03 4.313175e-04 0.000485 0.000060 True native_MD 7 208 305 +OE2_AB42_22 CG_AB42_35 1 0.000000e+00 1.631164e-06 ; 2.934516e-01 -1.631164e-06 1.100851e-03 8.051108e-04 0.000485 0.000060 True native_MD 7 208 306 OE2_AB42_22 CE_AB42_35 1 0.000000e+00 1.217636e-06 ; 2.863880e-01 -1.217636e-06 1.173269e-03 1.313248e-03 0.000485 0.000060 True native_MD 7 208 308 OE2_AB42_22 C_AB42_35 1 3.965703e-04 4.677712e-07 ; 3.250515e-01 8.405179e-02 7.387144e-04 7.201970e-05 0.000485 0.002166 True native_MD 7 208 309 OE2_AB42_22 O_AB42_35 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 310 OE2_AB42_22 N_AB42_36 1 1.161317e-04 3.180397e-08 ; 2.548327e-01 1.060132e-01 1.425286e-03 2.000405e-04 0.000485 0.002166 True native_MD 7 208 311 OE2_AB42_22 H_AB42_36 1 4.486620e-06 5.898992e-11 ; 1.536301e-01 8.531016e-02 7.670634e-04 0.000000e+00 0.000485 0.005316 True native_MD 7 208 312 OE2_AB42_22 CA_AB42_36 1 5.322049e-04 6.274584e-07 ; 3.250257e-01 1.128529e-01 1.749021e-03 4.191754e-04 0.000485 0.001339 True native_MD 7 208 313 -OE2_AB42_22 CB_AB42_36 1 0.000000e+00 3.353219e-06 ; 3.116139e-01 -3.353219e-06 3.565206e-03 8.913359e-04 0.000485 0.000060 True native_MD 7 208 314 -OE2_AB42_22 CG1_AB42_36 1 0.000000e+00 1.215342e-06 ; 2.863430e-01 -1.215342e-06 2.930606e-03 1.187032e-03 0.000485 0.000060 True native_MD 7 208 315 -OE2_AB42_22 CG2_AB42_36 1 0.000000e+00 1.214449e-06 ; 2.863254e-01 -1.214449e-06 3.011903e-03 5.347111e-04 0.000485 0.000060 True native_MD 7 208 316 +OE2_AB42_22 CB_AB42_36 1 0.000000e+00 3.353247e-06 ; 3.116141e-01 -3.353247e-06 3.565206e-03 8.913359e-04 0.000485 0.000060 True native_MD 7 208 314 +OE2_AB42_22 CG1_AB42_36 1 0.000000e+00 1.215343e-06 ; 2.863430e-01 -1.215343e-06 2.930606e-03 1.187032e-03 0.000485 0.000060 True native_MD 7 208 315 +OE2_AB42_22 CG2_AB42_36 1 0.000000e+00 1.214450e-06 ; 2.863255e-01 -1.214450e-06 3.011903e-03 5.347111e-04 0.000485 0.000060 True native_MD 7 208 316 OE2_AB42_22 C_AB42_36 1 4.450267e-04 5.014487e-07 ; 3.225820e-01 9.873832e-02 1.146443e-03 1.522241e-04 0.000485 0.002166 True native_MD 7 208 317 OE2_AB42_22 O_AB42_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 318 OE2_AB42_22 N_AB42_37 1 2.464229e-04 8.563819e-08 ; 2.651537e-01 1.772697e-01 1.202262e-02 3.680500e-04 0.000485 0.002166 True native_MD 7 208 319 @@ -42161,7 +42161,7 @@ OE2_AB42_22 O_AB42_38 1 4.817393e-04 4.979999e-07 ; 3.179822e-01 1.165024 OE2_AB42_22 N_AB42_39 1 3.303965e-04 2.373586e-07 ; 2.992689e-01 1.149756e-01 1.863731e-03 4.727460e-04 0.000485 0.002166 True native_MD 7 208 329 OE2_AB42_22 H_AB42_39 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 330 OE2_AB42_22 CA_AB42_39 1 6.187472e-04 8.195581e-07 ; 3.313938e-01 1.167849e-01 1.967424e-03 5.807573e-04 0.000485 0.001339 True native_MD 7 208 331 -OE2_AB42_22 CB_AB42_39 1 0.000000e+00 3.360641e-06 ; 3.116713e-01 -3.360641e-06 1.534908e-03 1.068594e-03 0.000485 0.000060 True native_MD 7 208 332 +OE2_AB42_22 CB_AB42_39 1 0.000000e+00 3.360669e-06 ; 3.116715e-01 -3.360669e-06 1.534908e-03 1.068594e-03 0.000485 0.000060 True native_MD 7 208 332 OE2_AB42_22 CG1_AB42_39 1 0.000000e+00 1.217247e-06 ; 2.863804e-01 -1.217247e-06 1.436894e-03 1.257587e-03 0.000485 0.000060 True native_MD 7 208 333 OE2_AB42_22 CG2_AB42_39 1 0.000000e+00 1.216643e-06 ; 2.863685e-01 -1.216643e-06 1.458225e-03 7.829790e-04 0.000485 0.000060 True native_MD 7 208 334 OE2_AB42_22 C_AB42_39 1 5.035238e-04 7.049252e-07 ; 3.344674e-01 8.991600e-02 8.804238e-04 3.907094e-07 0.000485 0.002166 True native_MD 7 208 335 @@ -42177,8 +42177,8 @@ OE2_AB42_22 O_AB42_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 OE2_AB42_22 N_AB42_41 1 9.508460e-05 2.333762e-08 ; 2.502214e-01 9.685091e-02 1.083484e-03 6.521631e-05 0.000485 0.002166 True native_MD 7 208 345 OE2_AB42_22 H_AB42_41 1 3.352417e-06 3.792924e-11 ; 1.498313e-01 7.407676e-02 5.480680e-04 0.000000e+00 0.000485 0.005316 True native_MD 7 208 346 OE2_AB42_22 CA_AB42_41 1 5.125678e-04 6.637632e-07 ; 3.301492e-01 9.895311e-02 1.153836e-03 3.950124e-04 0.000485 0.001339 True native_MD 7 208 347 -OE2_AB42_22 CB_AB42_41 1 0.000000e+00 3.359240e-06 ; 3.116605e-01 -3.359240e-06 1.524876e-03 6.417085e-04 0.000485 0.000060 True native_MD 7 208 348 -OE2_AB42_22 CG1_AB42_41 1 0.000000e+00 1.630518e-06 ; 2.934419e-01 -1.630518e-06 1.235725e-03 5.403943e-04 0.000485 0.000060 True native_MD 7 208 349 +OE2_AB42_22 CB_AB42_41 1 0.000000e+00 3.359267e-06 ; 3.116607e-01 -3.359267e-06 1.524876e-03 6.417085e-04 0.000485 0.000060 True native_MD 7 208 348 +OE2_AB42_22 CG1_AB42_41 1 0.000000e+00 1.630512e-06 ; 2.934418e-01 -1.630512e-06 1.235725e-03 5.403943e-04 0.000485 0.000060 True native_MD 7 208 349 OE2_AB42_22 CG2_AB42_41 1 0.000000e+00 1.217594e-06 ; 2.863872e-01 -1.217594e-06 8.413233e-04 9.468531e-04 0.000485 0.000060 True native_MD 7 208 350 OE2_AB42_22 CD_AB42_41 1 0.000000e+00 1.217062e-06 ; 2.863767e-01 -1.217062e-06 1.205004e-03 8.740474e-04 0.000485 0.000060 True native_MD 7 208 351 OE2_AB42_22 C_AB42_41 1 3.768325e-04 4.894923e-07 ; 3.303185e-01 7.252551e-02 5.232068e-04 1.072026e-04 0.000485 0.002166 True native_MD 7 208 352 @@ -42188,17 +42188,17 @@ OE2_AB42_22 CA_AB42_42 1 1.118412e-03 3.637677e-06 ; 3.849199e-01 8.596457 OE2_AB42_22 CB_AB42_42 1 0.000000e+00 1.217295e-06 ; 2.863813e-01 -1.217295e-06 1.248285e-03 1.108552e-03 0.000485 0.000060 True native_MD 7 208 357 OE2_AB42_22 O1_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 359 OE2_AB42_22 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 360 - C_AB42_22 CB_AB42_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 209 214 - C_AB42_22 CG_AB42_23 1 0.000000e+00 2.506769e-06 ; 3.041500e-01 -2.506769e-06 9.255194e-01 8.901919e-01 0.000485 0.000060 True native_MD 4 209 215 - C_AB42_22 OD1_AB42_23 1 0.000000e+00 6.239331e-07 ; 2.708673e-01 -6.239331e-07 3.586743e-01 2.907506e-01 0.000485 0.000060 True native_MD 5 209 216 - C_AB42_22 OD2_AB42_23 1 0.000000e+00 6.239331e-07 ; 2.708673e-01 -6.239331e-07 3.586743e-01 2.907506e-01 0.000485 0.000060 True native_MD 5 209 217 - C_AB42_22 O_AB42_23 1 0.000000e+00 7.856533e-07 ; 2.761198e-01 -7.856533e-07 9.791044e-01 9.291741e-01 0.000485 0.000060 True native_MD 4 209 219 - C_AB42_22 N_AB42_24 1 0.000000e+00 1.498552e-06 ; 2.913853e-01 -1.498552e-06 9.791688e-01 9.728058e-01 0.000485 0.000060 True native_MD 4 209 220 - C_AB42_22 CA_AB42_24 1 0.000000e+00 1.247437e-05 ; 3.476668e-01 -1.247437e-05 8.980781e-01 8.538322e-01 0.000485 0.000060 True native_MD 5 209 222 - C_AB42_22 CB_AB42_24 1 0.000000e+00 1.416991e-05 ; 3.513788e-01 -1.416991e-05 2.883141e-01 3.739761e-01 0.000485 0.000060 True native_MD 6 209 223 - C_AB42_22 CG1_AB42_24 1 0.000000e+00 4.858850e-06 ; 3.213953e-01 -4.858850e-06 9.900953e-02 1.270949e-01 0.000485 0.000060 True native_MD 7 209 224 - C_AB42_22 CG2_AB42_24 1 0.000000e+00 4.868421e-06 ; 3.214480e-01 -4.868421e-06 1.668154e-01 1.969259e-01 0.000485 0.000060 True native_MD 7 209 225 - C_AB42_22 C_AB42_24 1 0.000000e+00 2.767412e-06 ; 3.066676e-01 -2.767412e-06 9.700819e-02 1.619833e-01 0.000485 0.000060 True native_MD 6 209 226 + C_AB42_22 CB_AB42_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 209 214 + C_AB42_22 CG_AB42_23 1 0.000000e+00 2.506725e-06 ; 3.041496e-01 -2.506725e-06 9.255194e-01 8.901919e-01 0.000485 0.000060 True native_MD 4 209 215 + C_AB42_22 OD1_AB42_23 1 0.000000e+00 6.239304e-07 ; 2.708672e-01 -6.239304e-07 3.586743e-01 2.907506e-01 0.000485 0.000060 True native_MD 5 209 216 + C_AB42_22 OD2_AB42_23 1 0.000000e+00 6.239304e-07 ; 2.708672e-01 -6.239304e-07 3.586743e-01 2.907506e-01 0.000485 0.000060 True native_MD 5 209 217 + C_AB42_22 O_AB42_23 1 0.000000e+00 7.856497e-07 ; 2.761197e-01 -7.856497e-07 9.791044e-01 9.291741e-01 0.000485 0.000060 True native_MD 4 209 219 + C_AB42_22 N_AB42_24 1 0.000000e+00 1.498531e-06 ; 2.913850e-01 -1.498531e-06 9.791688e-01 9.728058e-01 0.000485 0.000060 True native_MD 4 209 220 + C_AB42_22 CA_AB42_24 1 0.000000e+00 1.247431e-05 ; 3.476667e-01 -1.247431e-05 8.980781e-01 8.538322e-01 0.000485 0.000060 True native_MD 5 209 222 + C_AB42_22 CB_AB42_24 1 0.000000e+00 1.416984e-05 ; 3.513787e-01 -1.416984e-05 2.883141e-01 3.739761e-01 0.000485 0.000060 True native_MD 6 209 223 + C_AB42_22 CG1_AB42_24 1 0.000000e+00 4.858787e-06 ; 3.213949e-01 -4.858787e-06 9.900953e-02 1.270949e-01 0.000485 0.000060 True native_MD 7 209 224 + C_AB42_22 CG2_AB42_24 1 0.000000e+00 4.868358e-06 ; 3.214476e-01 -4.868358e-06 1.668154e-01 1.969259e-01 0.000485 0.000060 True native_MD 7 209 225 + C_AB42_22 C_AB42_24 1 0.000000e+00 2.767363e-06 ; 3.066671e-01 -2.767363e-06 9.700819e-02 1.619833e-01 0.000485 0.000060 True native_MD 6 209 226 C_AB42_22 O_AB42_24 1 7.778694e-04 1.679962e-06 ; 3.595275e-01 9.004381e-02 4.238634e-02 1.038827e-01 0.000485 0.002166 True native_MD 7 209 227 C_AB42_22 N_AB42_25 1 5.220114e-04 7.065186e-07 ; 3.325885e-01 9.642207e-02 5.234321e-02 1.059928e-01 0.000485 0.002166 True native_MD 7 209 228 C_AB42_22 CA_AB42_25 1 1.390059e-03 5.337739e-06 ; 3.957194e-01 9.050015e-02 4.928743e-02 8.713102e-02 0.000485 0.001584 True native_MD 7 209 230 @@ -42206,13 +42206,13 @@ OE2_AB42_22 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 C_AB42_22 O_AB42_25 1 5.435853e-04 7.438907e-07 ; 3.332015e-01 9.930390e-02 2.534861e-03 4.708918e-03 0.000485 0.002166 True native_MD 7 209 232 C_AB42_22 N_AB42_26 1 1.077910e-03 2.516163e-06 ; 3.642163e-01 1.154425e-01 2.149798e-02 2.463831e-02 0.000485 0.002166 True native_MD 7 209 233 C_AB42_22 CA_AB42_26 1 3.667657e-03 2.926793e-05 ; 4.470271e-01 1.149014e-01 6.052515e-02 4.357507e-02 0.000485 0.001339 True native_MD 7 209 235 - C_AB42_22 CB_AB42_26 1 0.000000e+00 5.683380e-06 ; 3.256209e-01 -5.683380e-06 1.658589e-01 6.314570e-02 0.000485 0.000060 True native_MD 7 209 236 + C_AB42_22 CB_AB42_26 1 0.000000e+00 5.683284e-06 ; 3.256204e-01 -5.683284e-06 1.658589e-01 6.314570e-02 0.000485 0.000060 True native_MD 7 209 236 C_AB42_22 OG_AB42_26 1 5.226063e-04 5.595353e-07 ; 3.198469e-01 1.220287e-01 4.203383e-02 3.955656e-02 0.000485 0.002166 True native_MD 7 209 237 C_AB42_22 C_AB42_26 1 3.100239e-03 1.396607e-05 ; 4.063933e-01 1.720507e-01 1.028415e-02 8.114528e-04 0.000485 0.002166 True native_MD 7 209 238 C_AB42_22 O_AB42_26 1 1.000055e-03 1.318943e-06 ; 3.311569e-01 1.895663e-01 1.737056e-02 1.636494e-03 0.000485 0.002166 True native_MD 7 209 239 C_AB42_22 N_AB42_27 1 1.476834e-03 3.438122e-06 ; 3.640533e-01 1.585922e-01 6.874696e-03 4.821271e-04 0.000485 0.002166 True native_MD 7 209 240 C_AB42_22 CA_AB42_27 1 4.089520e-03 2.218876e-05 ; 4.191892e-01 1.884307e-01 2.794053e-02 2.227928e-03 0.000485 0.001339 True native_MD 7 209 242 - C_AB42_22 CB_AB42_27 1 0.000000e+00 6.199981e-06 ; 3.279902e-01 -6.199981e-06 2.467855e-02 3.525835e-03 0.000485 0.000060 True native_MD 7 209 243 + C_AB42_22 CB_AB42_27 1 0.000000e+00 6.199876e-06 ; 3.279897e-01 -6.199876e-06 2.467855e-02 3.525835e-03 0.000485 0.000060 True native_MD 7 209 243 C_AB42_22 CG_AB42_27 1 3.777186e-03 1.627990e-05 ; 4.034105e-01 2.190912e-01 4.202805e-02 1.579380e-03 0.000485 0.002166 True native_MD 7 209 244 C_AB42_22 OD1_AB42_27 1 9.869758e-04 1.206464e-06 ; 3.269901e-01 2.018546e-01 2.509117e-02 2.128632e-03 0.000485 0.002166 True native_MD 7 209 245 C_AB42_22 ND2_AB42_27 1 1.167273e-03 1.558240e-06 ; 3.318259e-01 2.186003e-01 1.108320e-01 5.796665e-03 0.000485 0.002166 True native_MD 7 209 246 @@ -42223,7 +42223,7 @@ OE2_AB42_22 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 C_AB42_22 CB_AB42_28 1 1.340280e-03 5.175159e-06 ; 3.960847e-01 8.677755e-02 1.619691e-02 1.206739e-03 0.000485 0.000060 True native_MD 7 209 252 C_AB42_22 CG_AB42_28 1 1.284148e-03 5.201950e-06 ; 3.992625e-01 7.925085e-02 1.885299e-02 1.759476e-03 0.000485 0.000060 True native_MD 7 209 253 C_AB42_22 CD_AB42_28 1 1.002671e-03 3.382349e-06 ; 3.872665e-01 7.430852e-02 2.323301e-02 2.513868e-03 0.000485 0.000060 True native_MD 7 209 254 - C_AB42_22 CE_AB42_28 1 0.000000e+00 6.175768e-06 ; 3.278833e-01 -6.175768e-06 2.855029e-02 3.574865e-03 0.000485 0.000060 True native_MD 7 209 255 + C_AB42_22 CE_AB42_28 1 0.000000e+00 6.175664e-06 ; 3.278828e-01 -6.175664e-06 2.855029e-02 3.574865e-03 0.000485 0.000060 True native_MD 7 209 255 C_AB42_22 NZ_AB42_28 1 1.405003e-03 2.630757e-06 ; 3.510756e-01 1.875916e-01 1.637380e-02 2.096326e-03 0.000485 0.002166 True native_MD 7 209 256 C_AB42_22 C_AB42_28 1 2.294231e-03 8.764578e-06 ; 3.953809e-01 1.501355e-01 5.337584e-03 3.169238e-04 0.000485 0.002166 True native_MD 7 209 257 C_AB42_22 O_AB42_28 1 8.475604e-04 1.137782e-06 ; 3.321351e-01 1.578419e-01 6.722057e-03 3.366462e-04 0.000485 0.002166 True native_MD 7 209 258 @@ -42241,7 +42241,7 @@ OE2_AB42_22 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 C_AB42_22 CB_AB42_31 1 1.296192e-03 4.795566e-06 ; 3.932739e-01 8.758680e-02 9.855145e-03 7.166822e-04 0.000485 0.000060 True native_MD 7 209 273 C_AB42_22 CG1_AB42_31 1 9.488511e-04 2.834196e-06 ; 3.794943e-01 7.941567e-02 8.253312e-03 7.664597e-04 0.000485 0.000060 True native_MD 7 209 274 C_AB42_22 CG2_AB42_31 1 6.122304e-04 1.215379e-06 ; 3.545135e-01 7.710063e-02 1.060985e-02 1.055986e-03 0.000485 0.000060 True native_MD 7 209 275 - C_AB42_22 CD_AB42_31 1 0.000000e+00 4.675208e-06 ; 3.203650e-01 -4.675208e-06 1.330422e-02 2.532607e-03 0.000485 0.000060 True native_MD 7 209 276 + C_AB42_22 CD_AB42_31 1 0.000000e+00 4.675147e-06 ; 3.203647e-01 -4.675147e-06 1.330422e-02 2.532607e-03 0.000485 0.000060 True native_MD 7 209 276 C_AB42_22 C_AB42_31 1 1.492039e-03 7.404352e-06 ; 4.130010e-01 7.516458e-02 5.662035e-04 3.503679e-05 0.000485 0.002166 True native_MD 7 209 277 C_AB42_22 N_AB42_32 1 9.189074e-04 2.285376e-06 ; 3.680846e-01 9.236891e-02 9.474831e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 209 279 C_AB42_22 CA_AB42_32 1 2.707364e-03 1.561621e-05 ; 4.234851e-01 1.173431e-01 2.000565e-03 9.145119e-05 0.000485 0.001339 True native_MD 7 209 281 @@ -42257,10 +42257,10 @@ OE2_AB42_22 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 C_AB42_22 CB_AB42_34 1 1.921745e-03 9.380257e-06 ; 4.118634e-01 9.842756e-02 1.135831e-03 4.745863e-05 0.000485 0.000060 True native_MD 7 209 296 C_AB42_22 CG_AB42_34 1 2.227026e-03 1.474540e-05 ; 4.333331e-01 8.408797e-02 4.023520e-03 3.248949e-04 0.000485 0.000060 True native_MD 7 209 297 C_AB42_22 CD1_AB42_34 1 8.297866e-04 1.864636e-06 ; 3.619133e-01 9.231639e-02 6.802643e-03 4.294102e-04 0.000485 0.000060 True native_MD 7 209 298 - C_AB42_22 CD2_AB42_34 1 0.000000e+00 4.709451e-06 ; 3.205599e-01 -4.709451e-06 4.129477e-03 6.034133e-04 0.000485 0.000060 True native_MD 7 209 299 + C_AB42_22 CD2_AB42_34 1 0.000000e+00 4.709390e-06 ; 3.205595e-01 -4.709390e-06 4.129477e-03 6.034133e-04 0.000485 0.000060 True native_MD 7 209 299 C_AB42_22 CA_AB42_35 1 2.799352e-03 1.951466e-05 ; 4.370696e-01 1.003908e-01 1.204564e-03 2.972631e-04 0.000485 0.001339 True native_MD 7 209 304 - C_AB42_22 CB_AB42_35 1 0.000000e+00 6.324946e-06 ; 3.285361e-01 -6.324946e-06 1.868821e-03 4.455413e-04 0.000485 0.000060 True native_MD 7 209 305 - C_AB42_22 CG_AB42_35 1 0.000000e+00 6.313966e-06 ; 3.284885e-01 -6.313966e-06 3.715751e-03 5.588784e-04 0.000485 0.000060 True native_MD 7 209 306 + C_AB42_22 CB_AB42_35 1 0.000000e+00 6.324840e-06 ; 3.285356e-01 -6.324840e-06 1.868821e-03 4.455413e-04 0.000485 0.000060 True native_MD 7 209 305 + C_AB42_22 CG_AB42_35 1 0.000000e+00 6.313860e-06 ; 3.284881e-01 -6.313860e-06 3.715751e-03 5.588784e-04 0.000485 0.000060 True native_MD 7 209 306 C_AB42_22 SD_AB42_35 1 1.137262e-03 2.240991e-06 ; 3.540761e-01 1.442848e-01 4.480278e-03 3.727327e-04 0.000485 0.002166 True native_MD 7 209 307 C_AB42_22 CE_AB42_35 1 5.306395e-04 7.935652e-07 ; 3.381664e-01 8.870671e-02 1.076784e-02 7.572462e-04 0.000485 0.000060 True native_MD 7 209 308 C_AB42_22 C_AB42_35 1 1.772340e-03 9.283371e-06 ; 4.167348e-01 8.459184e-02 7.507502e-04 2.759856e-05 0.000485 0.002166 True native_MD 7 209 309 @@ -42306,15 +42306,15 @@ OE2_AB42_22 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 C_AB42_22 CB_AB42_42 1 6.539855e-04 1.166878e-06 ; 3.482648e-01 9.163276e-02 4.491472e-03 2.893799e-04 0.000485 0.000060 True native_MD 7 209 357 O_AB42_22 O_AB42_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 210 O_AB42_22 H_AB42_23 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 212 - O_AB42_22 CB_AB42_23 1 0.000000e+00 2.015632e-06 ; 2.986730e-01 -2.015632e-06 1.000000e+00 9.999882e-01 0.000485 0.000060 True native_MD 4 210 214 - O_AB42_22 CG_AB42_23 1 0.000000e+00 8.654790e-07 ; 2.783554e-01 -8.654790e-07 2.485448e-01 2.951455e-01 0.000485 0.000060 True native_MD 5 210 215 + O_AB42_22 CB_AB42_23 1 0.000000e+00 2.015625e-06 ; 2.986729e-01 -2.015625e-06 1.000000e+00 9.999882e-01 0.000485 0.000060 True native_MD 4 210 214 + O_AB42_22 CG_AB42_23 1 0.000000e+00 8.654750e-07 ; 2.783553e-01 -8.654750e-07 2.485448e-01 2.951455e-01 0.000485 0.000060 True native_MD 5 210 215 O_AB42_22 OD1_AB42_23 1 0.000000e+00 1.501317e-06 ; 2.914301e-01 -1.501317e-06 2.686354e-01 2.695133e-01 0.000485 0.000060 True native_MD 6 210 216 O_AB42_22 OD2_AB42_23 1 0.000000e+00 1.501317e-06 ; 2.914301e-01 -1.501317e-06 2.686354e-01 2.695133e-01 0.000485 0.000060 True native_MD 6 210 217 - O_AB42_22 C_AB42_23 1 0.000000e+00 8.233992e-07 ; 2.772017e-01 -8.233992e-07 9.999354e-01 9.956501e-01 0.000485 0.000060 True native_MD 4 210 218 + O_AB42_22 C_AB42_23 1 0.000000e+00 8.233954e-07 ; 2.772016e-01 -8.233954e-07 9.999354e-01 9.956501e-01 0.000485 0.000060 True native_MD 4 210 218 O_AB42_22 O_AB42_23 1 0.000000e+00 1.345690e-06 ; 2.887844e-01 -1.345690e-06 9.691178e-01 8.662447e-01 0.000485 0.000060 True native_MD 5 210 219 O_AB42_22 N_AB42_24 1 0.000000e+00 1.428554e-06 ; 2.902260e-01 -1.428554e-06 9.488676e-01 9.012367e-01 0.000485 0.000060 True native_MD 5 210 220 - O_AB42_22 H_AB42_24 1 0.000000e+00 1.514298e-08 ; 1.986915e-01 -1.514298e-08 1.693477e-01 1.452941e-01 0.000485 0.000060 True native_MD 6 210 221 - O_AB42_22 CA_AB42_24 1 0.000000e+00 3.694884e-06 ; 3.141437e-01 -3.694884e-06 7.010331e-01 5.906174e-01 0.000485 0.000060 True native_MD 6 210 222 + O_AB42_22 H_AB42_24 1 0.000000e+00 1.514322e-08 ; 1.986918e-01 -1.514322e-08 1.693477e-01 1.452941e-01 0.000485 0.000060 True native_MD 6 210 221 + O_AB42_22 CA_AB42_24 1 0.000000e+00 3.694913e-06 ; 3.141439e-01 -3.694913e-06 7.010331e-01 5.906174e-01 0.000485 0.000060 True native_MD 6 210 222 O_AB42_22 CB_AB42_24 1 1.590907e-03 6.133116e-06 ; 3.959795e-01 1.031688e-01 2.582236e-01 2.348622e-01 0.000485 0.001191 True native_MD 7 210 223 O_AB42_22 CG1_AB42_24 1 5.184421e-04 7.006396e-07 ; 3.325057e-01 9.590603e-02 1.192849e-01 1.348321e-01 0.000485 0.001191 True native_MD 7 210 224 O_AB42_22 CG2_AB42_24 1 5.673995e-04 7.387394e-07 ; 3.304459e-01 1.089498e-01 2.132224e-01 1.631228e-01 0.000485 0.001191 True native_MD 7 210 225 @@ -42448,19 +42448,19 @@ OE2_AB42_22 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 O_AB42_22 CB_AB42_42 1 5.276958e-04 4.811772e-07 ; 3.114012e-01 1.446779e-01 4.533291e-03 3.255533e-04 0.000485 0.001191 True native_MD 7 210 357 O_AB42_22 O1_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 359 O_AB42_22 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 360 - N_AB42_23 CB_AB42_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 211 214 + N_AB42_23 CB_AB42_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 211 214 N_AB42_23 OD1_AB42_23 1 0.000000e+00 1.488186e-06 ; 2.912168e-01 -1.488186e-06 9.403383e-01 9.324626e-01 0.000485 0.000060 True native_MD 4 211 216 N_AB42_23 OD2_AB42_23 1 0.000000e+00 1.488186e-06 ; 2.912168e-01 -1.488186e-06 9.403383e-01 9.324626e-01 0.000485 0.000060 True native_MD 4 211 217 - N_AB42_23 CA_AB42_24 1 0.000000e+00 7.574769e-06 ; 3.335102e-01 -7.574769e-06 1.000000e+00 9.999702e-01 0.000485 0.000060 True native_MD 4 211 222 - N_AB42_23 CB_AB42_24 1 0.000000e+00 9.043673e-06 ; 3.384728e-01 -9.043673e-06 2.746399e-01 4.685250e-01 0.000485 0.000060 True native_MD 5 211 223 - N_AB42_23 CG1_AB42_24 1 0.000000e+00 2.836362e-06 ; 3.072971e-01 -2.836362e-06 5.649270e-02 9.055718e-02 0.000485 0.000060 True native_MD 6 211 224 - N_AB42_23 CG2_AB42_24 1 0.000000e+00 2.971303e-06 ; 3.084896e-01 -2.971303e-06 1.261610e-01 2.094213e-01 0.000485 0.000060 True native_MD 6 211 225 - N_AB42_23 C_AB42_24 1 0.000000e+00 1.552829e-06 ; 2.922505e-01 -1.552829e-06 6.032263e-02 8.994846e-02 0.000485 0.000060 True native_MD 5 211 226 + N_AB42_23 CA_AB42_24 1 0.000000e+00 7.574757e-06 ; 3.335102e-01 -7.574757e-06 1.000000e+00 9.999702e-01 0.000485 0.000060 True native_MD 4 211 222 + N_AB42_23 CB_AB42_24 1 0.000000e+00 9.043659e-06 ; 3.384727e-01 -9.043659e-06 2.746399e-01 4.685250e-01 0.000485 0.000060 True native_MD 5 211 223 + N_AB42_23 CG1_AB42_24 1 0.000000e+00 2.836336e-06 ; 3.072969e-01 -2.836336e-06 5.649270e-02 9.055718e-02 0.000485 0.000060 True native_MD 6 211 224 + N_AB42_23 CG2_AB42_24 1 0.000000e+00 2.971275e-06 ; 3.084894e-01 -2.971275e-06 1.261610e-01 2.094213e-01 0.000485 0.000060 True native_MD 6 211 225 + N_AB42_23 C_AB42_24 1 0.000000e+00 1.552807e-06 ; 2.922502e-01 -1.552807e-06 6.032263e-02 8.994846e-02 0.000485 0.000060 True native_MD 5 211 226 N_AB42_23 O_AB42_24 1 0.000000e+00 1.619189e-06 ; 2.932715e-01 -1.619189e-06 5.665571e-02 1.361148e-01 0.000485 0.000060 True native_MD 6 211 227 - N_AB42_23 N_AB42_25 1 0.000000e+00 8.987956e-07 ; 2.792330e-01 -8.987956e-07 4.148158e-02 6.833157e-02 0.000485 0.000060 True native_MD 6 211 228 + N_AB42_23 N_AB42_25 1 0.000000e+00 8.987862e-07 ; 2.792328e-01 -8.987862e-07 4.148158e-02 6.833157e-02 0.000485 0.000060 True native_MD 6 211 228 N_AB42_23 CA_AB42_25 1 2.602345e-03 1.787865e-05 ; 4.360085e-01 9.469676e-02 8.841901e-03 1.378625e-02 0.000485 0.001584 True native_MD 7 211 230 N_AB42_23 O_AB42_25 1 4.072496e-04 3.468827e-07 ; 3.078839e-01 1.195305e-01 2.135904e-03 1.693795e-03 0.000485 0.002166 True native_MD 7 211 232 - N_AB42_23 N_AB42_26 1 0.000000e+00 8.733815e-07 ; 2.785664e-01 -8.733815e-07 3.005256e-03 8.202830e-04 0.000485 0.000060 True native_MD 7 211 233 + N_AB42_23 N_AB42_26 1 0.000000e+00 8.733724e-07 ; 2.785661e-01 -8.733724e-07 3.005256e-03 8.202830e-04 0.000485 0.000060 True native_MD 7 211 233 N_AB42_23 CA_AB42_26 1 6.348351e-03 4.964293e-05 ; 4.455188e-01 2.029572e-01 1.085785e-01 5.605573e-03 0.000485 0.001339 True native_MD 7 211 235 N_AB42_23 CB_AB42_26 1 7.842536e-04 1.928186e-06 ; 3.673799e-01 7.974513e-02 3.108485e-01 2.858433e-02 0.000485 0.000060 True native_MD 7 211 236 N_AB42_23 OG_AB42_26 1 3.603445e-04 1.894170e-07 ; 2.840862e-01 1.713787e-01 8.128069e-02 1.746735e-02 0.000485 0.002166 True native_MD 7 211 237 @@ -42509,10 +42509,10 @@ OE2_AB42_22 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 N_AB42_23 CA_AB42_33 1 1.576480e-03 6.884981e-06 ; 4.042987e-01 9.024309e-02 8.890842e-04 1.188222e-04 0.000485 0.001584 True native_MD 7 211 290 N_AB42_23 N_AB42_34 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.520530e-05 0.000000e+00 0.000485 0.000060 True native_MD 7 211 293 N_AB42_23 CA_AB42_34 1 2.507803e-03 2.021149e-05 ; 4.477657e-01 7.779086e-02 6.124990e-04 0.000000e+00 0.000485 0.001339 True native_MD 7 211 295 - N_AB42_23 CB_AB42_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 211 296 + N_AB42_23 CB_AB42_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 211 296 N_AB42_23 CG_AB42_34 1 2.398555e-03 1.423348e-05 ; 4.254941e-01 1.010481e-01 1.576558e-03 7.663390e-05 0.000485 0.000060 True native_MD 7 211 297 N_AB42_23 CD1_AB42_34 1 6.564709e-04 1.326504e-06 ; 3.555621e-01 8.121990e-02 3.049688e-03 2.683289e-04 0.000485 0.000060 True native_MD 7 211 298 - N_AB42_23 CD2_AB42_34 1 0.000000e+00 2.738320e-06 ; 3.063976e-01 -2.738320e-06 2.061782e-03 3.825639e-04 0.000485 0.000060 True native_MD 7 211 299 + N_AB42_23 CD2_AB42_34 1 0.000000e+00 2.738294e-06 ; 3.063974e-01 -2.738294e-06 2.061782e-03 3.825639e-04 0.000485 0.000060 True native_MD 7 211 299 N_AB42_23 N_AB42_35 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.027953e-05 0.000000e+00 0.000485 0.000060 True native_MD 7 211 302 N_AB42_23 CA_AB42_35 1 1.677445e-03 8.268146e-06 ; 4.125342e-01 8.508019e-02 7.618024e-04 1.542523e-04 0.000485 0.001339 True native_MD 7 211 304 N_AB42_23 CB_AB42_35 1 7.526730e-04 1.828972e-06 ; 3.666627e-01 7.743651e-02 9.693622e-04 9.551458e-05 0.000485 0.000060 True native_MD 7 211 305 @@ -42560,9 +42560,9 @@ OE2_AB42_22 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 N_AB42_23 CA_AB42_42 1 2.696268e-03 1.450161e-05 ; 4.185772e-01 1.253285e-01 2.540598e-03 0.000000e+00 0.000485 0.001339 True native_MD 7 211 356 N_AB42_23 CB_AB42_42 1 1.139637e-03 2.811127e-06 ; 3.675804e-01 1.155029e-01 3.082911e-03 9.723175e-05 0.000485 0.000060 True native_MD 7 211 357 H_AB42_23 H_AB42_23 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 212 212 - H_AB42_23 OD1_AB42_23 1 0.000000e+00 1.175272e-08 ; 1.945389e-01 -1.175272e-08 2.328942e-01 1.686059e-01 0.000485 0.000060 True native_MD 5 212 216 - H_AB42_23 OD2_AB42_23 1 0.000000e+00 1.175272e-08 ; 1.945389e-01 -1.175272e-08 2.328942e-01 1.686059e-01 0.000485 0.000060 True native_MD 5 212 217 - H_AB42_23 O_AB42_23 1 0.000000e+00 1.461463e-08 ; 1.981043e-01 -1.461463e-08 4.447048e-01 3.865999e-01 0.000485 0.000060 True native_MD 4 212 219 + H_AB42_23 OD1_AB42_23 1 0.000000e+00 1.175291e-08 ; 1.945392e-01 -1.175291e-08 2.328942e-01 1.686059e-01 0.000485 0.000060 True native_MD 5 212 216 + H_AB42_23 OD2_AB42_23 1 0.000000e+00 1.175291e-08 ; 1.945392e-01 -1.175291e-08 2.328942e-01 1.686059e-01 0.000485 0.000060 True native_MD 5 212 217 + H_AB42_23 O_AB42_23 1 0.000000e+00 1.461486e-08 ; 1.981046e-01 -1.461486e-08 4.447048e-01 3.865999e-01 0.000485 0.000060 True native_MD 4 212 219 H_AB42_23 H_AB42_24 1 0.000000e+00 1.408691e-08 ; 1.974981e-01 -1.408691e-08 1.895230e-01 3.634322e-01 0.000485 0.000060 True native_MD 5 212 221 H_AB42_23 O_AB42_24 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 212 227 H_AB42_23 H_AB42_25 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 212 229 @@ -42604,13 +42604,13 @@ OE2_AB42_22 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 H_AB42_23 H_AB42_42 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 212 355 H_AB42_23 O1_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 212 359 H_AB42_23 O2_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 212 360 - CA_AB42_23 CB_AB42_24 1 0.000000e+00 6.555619e-05 ; 3.992205e-01 -6.555619e-05 9.999931e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 213 223 - CA_AB42_23 CG1_AB42_24 1 0.000000e+00 2.703500e-05 ; 3.708135e-01 -2.703500e-05 4.750330e-01 6.139284e-01 0.000485 0.000060 True native_MD 5 213 224 - CA_AB42_23 CG2_AB42_24 1 0.000000e+00 2.452430e-05 ; 3.678138e-01 -2.452430e-05 8.542696e-01 8.873977e-01 0.000485 0.000060 True native_MD 5 213 225 - CA_AB42_23 C_AB42_24 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 213 226 - CA_AB42_23 O_AB42_24 1 0.000000e+00 3.802625e-06 ; 3.148971e-01 -3.802625e-06 6.402906e-01 5.558149e-01 0.000485 0.000060 True native_MD 5 213 227 - CA_AB42_23 N_AB42_25 1 0.000000e+00 6.428839e-06 ; 3.289824e-01 -6.428839e-06 6.933511e-01 5.420433e-01 0.000485 0.000060 True native_MD 5 213 228 - CA_AB42_23 CA_AB42_25 1 0.000000e+00 3.108968e-05 ; 3.751570e-01 -3.108968e-05 3.938084e-01 3.710516e-01 0.000485 0.000060 True native_MD 6 213 230 + CA_AB42_23 CB_AB42_24 1 0.000000e+00 6.555667e-05 ; 3.992207e-01 -6.555667e-05 9.999931e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 213 223 + CA_AB42_23 CG1_AB42_24 1 0.000000e+00 2.703498e-05 ; 3.708135e-01 -2.703498e-05 4.750330e-01 6.139284e-01 0.000485 0.000060 True native_MD 5 213 224 + CA_AB42_23 CG2_AB42_24 1 0.000000e+00 2.452429e-05 ; 3.678138e-01 -2.452429e-05 8.542696e-01 8.873977e-01 0.000485 0.000060 True native_MD 5 213 225 + CA_AB42_23 C_AB42_24 1 0.000000e+00 1.305180e-05 ; 3.489803e-01 -1.305180e-05 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 213 226 + CA_AB42_23 O_AB42_24 1 0.000000e+00 3.802655e-06 ; 3.148973e-01 -3.802655e-06 6.402906e-01 5.558149e-01 0.000485 0.000060 True native_MD 5 213 227 + CA_AB42_23 N_AB42_25 1 0.000000e+00 6.428829e-06 ; 3.289824e-01 -6.428829e-06 6.933511e-01 5.420433e-01 0.000485 0.000060 True native_MD 5 213 228 + CA_AB42_23 CA_AB42_25 1 0.000000e+00 3.108954e-05 ; 3.751568e-01 -3.108954e-05 3.938084e-01 3.710516e-01 0.000485 0.000060 True native_MD 6 213 230 CA_AB42_23 C_AB42_25 1 7.338936e-03 9.433721e-05 ; 4.839959e-01 1.427326e-01 1.318851e-01 4.128435e-02 0.000485 0.001339 True native_MD 7 213 231 CA_AB42_23 O_AB42_25 1 1.961198e-03 9.289032e-06 ; 4.098027e-01 1.035172e-01 1.973237e-02 1.997324e-02 0.000485 0.001339 True native_MD 7 213 232 CA_AB42_23 N_AB42_26 1 3.559313e-03 2.091630e-05 ; 4.248019e-01 1.514215e-01 4.720917e-01 1.139449e-01 0.000485 0.001339 True native_MD 7 213 233 @@ -42718,34 +42718,34 @@ OE2_AB42_22 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 CA_AB42_23 C_AB42_42 1 3.244822e-03 2.543089e-05 ; 4.456854e-01 1.035047e-01 1.322208e-03 5.562358e-04 0.000485 0.001339 True native_MD 7 213 358 CA_AB42_23 O1_AB42_42 1 4.658311e-04 6.651449e-07 ; 3.355686e-01 8.156066e-02 6.856464e-04 4.269658e-04 0.000485 0.001339 True native_MD 7 213 359 CA_AB42_23 O2_AB42_42 1 4.658311e-04 6.651449e-07 ; 3.355686e-01 8.156066e-02 6.856464e-04 4.269658e-04 0.000485 0.001339 True native_MD 7 213 360 - CB_AB42_23 CG_AB42_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 215 - CB_AB42_23 OD1_AB42_23 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 216 - CB_AB42_23 OD2_AB42_23 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 217 - CB_AB42_23 C_AB42_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 218 + CB_AB42_23 CG_AB42_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 215 + CB_AB42_23 OD1_AB42_23 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 216 + CB_AB42_23 OD2_AB42_23 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 217 + CB_AB42_23 C_AB42_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 218 CB_AB42_23 O_AB42_23 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 219 - CB_AB42_23 N_AB42_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 220 - CB_AB42_23 CA_AB42_24 1 0.000000e+00 3.181375e-05 ; 3.758774e-01 -3.181375e-05 9.999968e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 214 222 - CB_AB42_23 CB_AB42_24 1 0.000000e+00 3.127278e-05 ; 3.753406e-01 -3.127278e-05 9.356199e-01 9.186187e-01 0.000485 0.000060 True native_MD 5 214 223 - CB_AB42_23 CG1_AB42_24 1 0.000000e+00 1.230706e-05 ; 3.472758e-01 -1.230706e-05 1.194079e-01 1.877468e-01 0.000485 0.000060 True native_MD 6 214 224 - CB_AB42_23 CG2_AB42_24 1 0.000000e+00 1.189740e-05 ; 3.462975e-01 -1.189740e-05 2.796770e-01 3.124543e-01 0.000485 0.000060 True native_MD 6 214 225 - CB_AB42_23 C_AB42_24 1 0.000000e+00 4.801037e-06 ; 3.210748e-01 -4.801037e-06 7.300869e-01 4.880702e-01 0.000485 0.000060 True native_MD 5 214 226 - CB_AB42_23 O_AB42_24 1 0.000000e+00 1.758747e-06 ; 2.952990e-01 -1.758747e-06 2.904160e-01 1.629590e-01 0.000485 0.000060 True native_MD 6 214 227 - CB_AB42_23 N_AB42_25 1 0.000000e+00 3.506977e-06 ; 3.127803e-01 -3.506977e-06 2.579959e-01 2.119945e-01 0.000485 0.000060 True native_MD 6 214 228 + CB_AB42_23 N_AB42_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 220 + CB_AB42_23 CA_AB42_24 1 0.000000e+00 3.181362e-05 ; 3.758773e-01 -3.181362e-05 9.999968e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 214 222 + CB_AB42_23 CB_AB42_24 1 0.000000e+00 3.127265e-05 ; 3.753405e-01 -3.127265e-05 9.356199e-01 9.186187e-01 0.000485 0.000060 True native_MD 5 214 223 + CB_AB42_23 CG1_AB42_24 1 0.000000e+00 1.230691e-05 ; 3.472755e-01 -1.230691e-05 1.194079e-01 1.877468e-01 0.000485 0.000060 True native_MD 6 214 224 + CB_AB42_23 CG2_AB42_24 1 0.000000e+00 1.189725e-05 ; 3.462971e-01 -1.189725e-05 2.796770e-01 3.124543e-01 0.000485 0.000060 True native_MD 6 214 225 + CB_AB42_23 C_AB42_24 1 0.000000e+00 4.800956e-06 ; 3.210744e-01 -4.800956e-06 7.300869e-01 4.880702e-01 0.000485 0.000060 True native_MD 5 214 226 + CB_AB42_23 O_AB42_24 1 0.000000e+00 1.758740e-06 ; 2.952989e-01 -1.758740e-06 2.904160e-01 1.629590e-01 0.000485 0.000060 True native_MD 6 214 227 + CB_AB42_23 N_AB42_25 1 0.000000e+00 3.506931e-06 ; 3.127800e-01 -3.506931e-06 2.579959e-01 2.119945e-01 0.000485 0.000060 True native_MD 6 214 228 CB_AB42_23 CA_AB42_25 1 3.497183e-03 2.787886e-05 ; 4.469505e-01 1.096735e-01 2.273192e-01 1.701351e-01 0.000485 0.001190 True native_MD 7 214 230 - CB_AB42_23 C_AB42_25 1 0.000000e+00 5.810361e-06 ; 3.262210e-01 -5.810361e-06 1.196129e-01 3.694748e-02 0.000485 0.000060 True native_MD 7 214 231 + CB_AB42_23 C_AB42_25 1 0.000000e+00 5.810264e-06 ; 3.262206e-01 -5.810264e-06 1.196129e-01 3.694748e-02 0.000485 0.000060 True native_MD 7 214 231 CB_AB42_23 O_AB42_25 1 8.105628e-04 1.691630e-06 ; 3.574811e-01 9.709748e-02 1.702843e-02 1.857366e-02 0.000485 0.001191 True native_MD 7 214 232 - CB_AB42_23 N_AB42_26 1 0.000000e+00 2.826149e-06 ; 3.072047e-01 -2.826149e-06 2.874067e-01 5.620052e-02 0.000485 0.000060 True native_MD 7 214 233 + CB_AB42_23 N_AB42_26 1 0.000000e+00 2.826112e-06 ; 3.072044e-01 -2.826112e-06 2.874067e-01 5.620052e-02 0.000485 0.000060 True native_MD 7 214 233 CB_AB42_23 CA_AB42_26 1 3.755915e-03 2.484169e-05 ; 4.332556e-01 1.419680e-01 4.917124e-01 1.200912e-01 0.000485 0.001021 True native_MD 7 214 235 CB_AB42_23 CB_AB42_26 1 1.198023e-03 2.577725e-06 ; 3.593039e-01 1.391981e-01 5.053152e-01 1.563142e-01 0.000485 0.001190 True native_MD 7 214 236 - CB_AB42_23 OG_AB42_26 1 0.000000e+00 2.141843e-06 ; 3.001884e-01 -2.141843e-06 3.300372e-01 9.951404e-02 0.000485 0.000060 True native_MD 7 214 237 - CB_AB42_23 C_AB42_26 1 0.000000e+00 5.942847e-06 ; 3.268345e-01 -5.942847e-06 7.436660e-02 1.261791e-02 0.000485 0.000060 True native_MD 7 214 238 + CB_AB42_23 OG_AB42_26 1 0.000000e+00 2.141811e-06 ; 3.001881e-01 -2.141811e-06 3.300372e-01 9.951404e-02 0.000485 0.000060 True native_MD 7 214 237 + CB_AB42_23 C_AB42_26 1 0.000000e+00 5.942747e-06 ; 3.268340e-01 -5.942747e-06 7.436660e-02 1.261791e-02 0.000485 0.000060 True native_MD 7 214 238 CB_AB42_23 O_AB42_26 1 6.840723e-04 7.339423e-07 ; 3.199583e-01 1.593977e-01 5.413410e-02 9.151635e-03 0.000485 0.001191 True native_MD 7 214 239 - CB_AB42_23 N_AB42_27 1 0.000000e+00 3.518339e-06 ; 3.128646e-01 -3.518339e-06 5.042672e-02 7.516303e-03 0.000485 0.000060 True native_MD 7 214 240 + CB_AB42_23 N_AB42_27 1 0.000000e+00 3.518293e-06 ; 3.128643e-01 -3.518293e-06 5.042672e-02 7.516303e-03 0.000485 0.000060 True native_MD 7 214 240 CB_AB42_23 CA_AB42_27 1 2.186901e-03 8.550483e-06 ; 3.969114e-01 1.398323e-01 8.598021e-02 2.238492e-02 0.000485 0.001021 True native_MD 7 214 242 CB_AB42_23 CB_AB42_27 1 1.568231e-03 4.385961e-06 ; 3.753552e-01 1.401829e-01 7.347013e-02 2.206722e-02 0.000485 0.001190 True native_MD 7 214 243 - CB_AB42_23 CG_AB42_27 1 0.000000e+00 5.953235e-06 ; 3.268821e-01 -5.953235e-06 7.596312e-02 1.585449e-02 0.000485 0.000060 True native_MD 7 214 244 + CB_AB42_23 CG_AB42_27 1 0.000000e+00 5.953135e-06 ; 3.268816e-01 -5.953135e-06 7.596312e-02 1.585449e-02 0.000485 0.000060 True native_MD 7 214 244 CB_AB42_23 OD1_AB42_27 1 5.559733e-04 5.240179e-07 ; 3.131233e-01 1.474694e-01 4.487305e-02 1.084032e-02 0.000485 0.001191 True native_MD 7 214 245 - CB_AB42_23 ND2_AB42_27 1 0.000000e+00 5.913069e-06 ; 3.266977e-01 -5.913069e-06 9.215659e-02 2.614089e-02 0.000485 0.000060 True native_MD 7 214 246 + CB_AB42_23 ND2_AB42_27 1 0.000000e+00 5.913036e-06 ; 3.266976e-01 -5.913036e-06 9.215659e-02 2.614089e-02 0.000485 0.000060 True native_MD 7 214 246 CB_AB42_23 C_AB42_27 1 8.148322e-04 2.191964e-06 ; 3.729302e-01 7.572562e-02 3.345998e-02 3.470125e-03 0.000485 0.000060 True native_MD 7 214 247 CB_AB42_23 O_AB42_27 1 5.438472e-04 4.861538e-07 ; 3.103722e-01 1.520968e-01 2.217657e-02 4.664546e-03 0.000485 0.001191 True native_MD 7 214 248 CB_AB42_23 N_AB42_28 1 7.032164e-04 1.164112e-06 ; 3.439413e-01 1.061997e-01 2.772852e-02 1.155272e-03 0.000485 0.000060 True native_MD 7 214 249 @@ -42759,12 +42759,12 @@ OE2_AB42_22 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 CB_AB42_23 O_AB42_28 1 7.766730e-04 9.865658e-07 ; 3.290900e-01 1.528588e-01 1.171229e-02 2.407986e-03 0.000485 0.001191 True native_MD 7 214 258 CB_AB42_23 N_AB42_29 1 5.197620e-04 9.470903e-07 ; 3.494871e-01 7.131119e-02 2.541874e-02 3.008474e-03 0.000485 0.000060 True native_MD 7 214 259 CB_AB42_23 CA_AB42_29 1 1.156136e-03 2.371000e-06 ; 3.564406e-01 1.409374e-01 3.626224e-02 1.064845e-02 0.000485 0.001190 True native_MD 7 214 261 - CB_AB42_23 C_AB42_29 1 0.000000e+00 6.213711e-06 ; 3.280507e-01 -6.213711e-06 2.315655e-02 4.171547e-03 0.000485 0.000060 True native_MD 7 214 262 + CB_AB42_23 C_AB42_29 1 0.000000e+00 6.213606e-06 ; 3.280502e-01 -6.213606e-06 2.315655e-02 4.171547e-03 0.000485 0.000060 True native_MD 7 214 262 CB_AB42_23 O_AB42_29 1 5.956205e-04 5.798035e-07 ; 3.148124e-01 1.529672e-01 1.508011e-02 3.090344e-03 0.000485 0.001191 True native_MD 7 214 263 CB_AB42_23 N_AB42_30 1 4.967897e-04 7.775717e-07 ; 3.407438e-01 7.934959e-02 1.546353e-02 1.438893e-03 0.000485 0.000060 True native_MD 7 214 264 CB_AB42_23 CA_AB42_30 1 1.620166e-03 5.209999e-06 ; 3.841903e-01 1.259567e-01 2.282522e-02 9.001373e-03 0.000485 0.001021 True native_MD 7 214 266 CB_AB42_23 CB_AB42_30 1 1.430862e-03 3.603470e-06 ; 3.688535e-01 1.420413e-01 1.733851e-02 9.651387e-03 0.000485 0.002332 True native_MD 7 214 267 - CB_AB42_23 C_AB42_30 1 0.000000e+00 6.289081e-06 ; 3.283804e-01 -6.289081e-06 8.635973e-03 1.550296e-03 0.000485 0.000060 True native_MD 7 214 268 + CB_AB42_23 C_AB42_30 1 0.000000e+00 6.288975e-06 ; 3.283800e-01 -6.288975e-06 8.635973e-03 1.550296e-03 0.000485 0.000060 True native_MD 7 214 268 CB_AB42_23 O_AB42_30 1 7.137127e-04 8.901065e-07 ; 3.280850e-01 1.430688e-01 5.626340e-03 1.550512e-03 0.000485 0.001191 True native_MD 7 214 269 CB_AB42_23 N_AB42_31 1 8.863167e-04 2.225759e-06 ; 3.686788e-01 8.823476e-02 5.775180e-03 4.119152e-04 0.000485 0.000060 True native_MD 7 214 270 CB_AB42_23 CA_AB42_31 1 4.098973e-03 2.662565e-05 ; 4.319540e-01 1.577575e-01 1.508795e-02 2.297313e-03 0.000485 0.001021 True native_MD 7 214 272 @@ -42772,7 +42772,7 @@ OE2_AB42_22 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 CB_AB42_23 CG1_AB42_31 1 1.656292e-03 4.605135e-06 ; 3.749882e-01 1.489263e-01 1.661477e-02 3.841460e-03 0.000485 0.001190 True native_MD 7 214 274 CB_AB42_23 CG2_AB42_31 1 1.151096e-03 1.992587e-06 ; 3.465115e-01 1.662439e-01 1.455651e-02 3.927197e-03 0.000485 0.002332 True native_MD 7 214 275 CB_AB42_23 CD_AB42_31 1 1.336883e-03 2.894741e-06 ; 3.596825e-01 1.543538e-01 1.717737e-02 6.614746e-03 0.000485 0.002332 True native_MD 7 214 276 - CB_AB42_23 C_AB42_31 1 0.000000e+00 6.328284e-06 ; 3.285505e-01 -6.328284e-06 1.350092e-03 4.537895e-04 0.000485 0.000060 True native_MD 7 214 277 + CB_AB42_23 C_AB42_31 1 0.000000e+00 6.328178e-06 ; 3.285501e-01 -6.328178e-06 1.350092e-03 4.537895e-04 0.000485 0.000060 True native_MD 7 214 277 CB_AB42_23 O_AB42_31 1 3.372954e-04 3.853925e-07 ; 3.233321e-01 7.380021e-02 5.435509e-04 5.872373e-04 0.000485 0.001191 True native_MD 7 214 278 CB_AB42_23 N_AB42_32 1 7.449921e-04 1.869340e-06 ; 3.686289e-01 7.422583e-02 1.700384e-03 1.844415e-04 0.000485 0.000060 True native_MD 7 214 279 CB_AB42_23 CA_AB42_32 1 3.191296e-03 1.705368e-05 ; 4.181273e-01 1.492987e-01 6.744126e-03 1.322669e-03 0.000485 0.001021 True native_MD 7 214 281 @@ -42780,27 +42780,27 @@ OE2_AB42_22 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 CB_AB42_23 CG1_AB42_32 1 1.886005e-03 5.062391e-06 ; 3.727939e-01 1.756589e-01 2.188915e-02 2.274031e-03 0.000485 0.001190 True native_MD 7 214 283 CB_AB42_23 CG2_AB42_32 1 1.338946e-03 2.530985e-06 ; 3.516315e-01 1.770829e-01 1.422503e-02 2.774648e-03 0.000485 0.002332 True native_MD 7 214 284 CB_AB42_23 CD_AB42_32 1 1.365278e-03 2.544683e-06 ; 3.508074e-01 1.831254e-01 2.487650e-02 4.049587e-03 0.000485 0.002332 True native_MD 7 214 285 - CB_AB42_23 C_AB42_32 1 0.000000e+00 6.329459e-06 ; 3.285556e-01 -6.329459e-06 1.241434e-03 5.305920e-04 0.000485 0.000060 True native_MD 7 214 286 + CB_AB42_23 C_AB42_32 1 0.000000e+00 6.329352e-06 ; 3.285551e-01 -6.329352e-06 1.241434e-03 5.305920e-04 0.000485 0.000060 True native_MD 7 214 286 CB_AB42_23 O_AB42_32 1 5.082006e-04 8.041062e-07 ; 3.413603e-01 8.029657e-02 6.601936e-04 5.103454e-04 0.000485 0.001191 True native_MD 7 214 287 - CB_AB42_23 N_AB42_33 1 0.000000e+00 3.673658e-06 ; 3.139929e-01 -3.673658e-06 1.406053e-03 7.467031e-04 0.000485 0.000060 True native_MD 7 214 288 + CB_AB42_23 N_AB42_33 1 0.000000e+00 3.673609e-06 ; 3.139926e-01 -3.673609e-06 1.406053e-03 7.467031e-04 0.000485 0.000060 True native_MD 7 214 288 CB_AB42_23 CA_AB42_33 1 7.914603e-04 1.724005e-06 ; 3.600407e-01 9.083635e-02 2.079906e-03 2.735404e-03 0.000485 0.001190 True native_MD 7 214 290 - CB_AB42_23 C_AB42_33 1 0.000000e+00 6.331976e-06 ; 3.285665e-01 -6.331976e-06 1.262758e-03 9.492997e-04 0.000485 0.000060 True native_MD 7 214 291 + CB_AB42_23 C_AB42_33 1 0.000000e+00 6.331869e-06 ; 3.285660e-01 -6.331869e-06 1.262758e-03 9.492997e-04 0.000485 0.000060 True native_MD 7 214 291 CB_AB42_23 O_AB42_33 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 4.816552e-04 9.062874e-04 0.000485 0.001191 True native_MD 7 214 292 - CB_AB42_23 N_AB42_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 293 + CB_AB42_23 N_AB42_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 293 CB_AB42_23 CA_AB42_34 1 2.495457e-03 1.572618e-05 ; 4.297793e-01 9.899583e-02 1.155312e-03 7.689940e-04 0.000485 0.001021 True native_MD 7 214 295 CB_AB42_23 CB_AB42_34 1 1.693289e-03 6.542453e-06 ; 3.961274e-01 1.095624e-01 1.585003e-03 8.963742e-04 0.000485 0.001190 True native_MD 7 214 296 CB_AB42_23 CG_AB42_34 1 3.234957e-03 2.265882e-05 ; 4.374161e-01 1.154622e-01 5.041923e-03 2.721973e-03 0.000485 0.001021 True native_MD 7 214 297 CB_AB42_23 CD1_AB42_34 1 1.072498e-03 1.996394e-06 ; 3.507317e-01 1.440411e-01 4.459230e-03 2.338017e-03 0.000485 0.002332 True native_MD 7 214 298 CB_AB42_23 CD2_AB42_34 1 1.359298e-03 3.169610e-06 ; 3.641513e-01 1.457349e-01 4.678987e-03 2.193580e-03 0.000485 0.002332 True native_MD 7 214 299 - CB_AB42_23 C_AB42_34 1 0.000000e+00 6.330740e-06 ; 3.285611e-01 -6.330740e-06 6.094749e-04 1.009069e-04 0.000485 0.000060 True native_MD 7 214 300 + CB_AB42_23 C_AB42_34 1 0.000000e+00 6.330634e-06 ; 3.285607e-01 -6.330634e-06 6.094749e-04 1.009069e-04 0.000485 0.000060 True native_MD 7 214 300 CB_AB42_23 O_AB42_34 1 5.479391e-04 9.629020e-07 ; 3.473828e-01 7.795115e-02 6.154440e-04 3.118171e-04 0.000485 0.001191 True native_MD 7 214 301 - CB_AB42_23 N_AB42_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 302 + CB_AB42_23 N_AB42_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 302 CB_AB42_23 CA_AB42_35 1 1.699552e-03 6.806276e-06 ; 3.985008e-01 1.060961e-01 1.624136e-03 1.160480e-03 0.000485 0.001021 True native_MD 7 214 304 CB_AB42_23 CB_AB42_35 1 1.228185e-03 3.438704e-06 ; 3.754238e-01 1.096662e-01 1.788183e-03 1.338642e-03 0.000485 0.001190 True native_MD 7 214 305 CB_AB42_23 CG_AB42_35 1 1.804191e-03 6.354651e-06 ; 3.900631e-01 1.280600e-01 2.757001e-03 1.159780e-03 0.000485 0.001190 True native_MD 7 214 306 - CB_AB42_23 SD_AB42_35 1 0.000000e+00 6.470214e-06 ; 3.291584e-01 -6.470214e-06 3.569003e-03 1.275758e-03 0.000485 0.000060 True native_MD 7 214 307 + CB_AB42_23 SD_AB42_35 1 0.000000e+00 6.470203e-06 ; 3.291583e-01 -6.470203e-06 3.569003e-03 1.275758e-03 0.000485 0.000060 True native_MD 7 214 307 CB_AB42_23 CE_AB42_35 1 1.254589e-03 2.614118e-06 ; 3.573858e-01 1.505282e-01 5.400670e-03 2.286657e-03 0.000485 0.002332 True native_MD 7 214 308 - CB_AB42_23 C_AB42_35 1 0.000000e+00 6.329666e-06 ; 3.285565e-01 -6.329666e-06 1.057003e-03 3.788955e-04 0.000485 0.000060 True native_MD 7 214 309 + CB_AB42_23 C_AB42_35 1 0.000000e+00 6.329560e-06 ; 3.285560e-01 -6.329560e-06 1.057003e-03 3.788955e-04 0.000485 0.000060 True native_MD 7 214 309 CB_AB42_23 O_AB42_35 1 2.722256e-04 1.759899e-07 ; 2.940536e-01 1.052713e-01 1.393989e-03 3.597197e-04 0.000485 0.001191 True native_MD 7 214 310 CB_AB42_23 N_AB42_36 1 1.431743e-03 6.402994e-06 ; 4.059006e-01 8.003630e-02 6.550713e-04 5.000827e-05 0.000485 0.000060 True native_MD 7 214 311 CB_AB42_23 CA_AB42_36 1 2.938375e-03 1.254256e-05 ; 4.027602e-01 1.720949e-01 1.192018e-02 1.181771e-03 0.000485 0.001021 True native_MD 7 214 313 @@ -42813,7 +42813,7 @@ OE2_AB42_22 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 CB_AB42_23 CA_AB42_37 1 1.810444e-03 4.423491e-06 ; 3.669977e-01 1.852443e-01 1.558236e-02 1.215128e-03 0.000485 0.001190 True native_MD 7 214 321 CB_AB42_23 C_AB42_37 1 8.889629e-04 2.461673e-06 ; 3.747352e-01 8.025590e-02 6.524770e-03 5.908892e-04 0.000485 0.000060 True native_MD 7 214 322 CB_AB42_23 O_AB42_37 1 4.425611e-04 3.813860e-07 ; 3.084835e-01 1.283872e-01 2.784129e-03 4.267196e-04 0.000485 0.001191 True native_MD 7 214 323 - CB_AB42_23 N_AB42_38 1 0.000000e+00 3.667310e-06 ; 3.139477e-01 -3.667310e-06 2.744451e-03 3.584188e-04 0.000485 0.000060 True native_MD 7 214 324 + CB_AB42_23 N_AB42_38 1 0.000000e+00 3.667262e-06 ; 3.139474e-01 -3.667262e-06 2.744451e-03 3.584188e-04 0.000485 0.000060 True native_MD 7 214 324 CB_AB42_23 CA_AB42_38 1 1.584772e-03 4.627140e-06 ; 3.780573e-01 1.356940e-01 3.464603e-03 1.003612e-03 0.000485 0.001190 True native_MD 7 214 326 CB_AB42_23 C_AB42_38 1 1.023575e-03 2.992349e-06 ; 3.781366e-01 8.753211e-02 1.858081e-03 1.353440e-04 0.000485 0.000060 True native_MD 7 214 327 CB_AB42_23 O_AB42_38 1 5.743583e-04 7.920753e-07 ; 3.336291e-01 1.041213e-01 1.346830e-03 1.111356e-04 0.000485 0.001191 True native_MD 7 214 328 @@ -42824,7 +42824,7 @@ OE2_AB42_22 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 CB_AB42_23 CG2_AB42_39 1 1.168493e-03 2.714068e-06 ; 3.639143e-01 1.257683e-01 2.574258e-03 7.185245e-04 0.000485 0.002332 True native_MD 7 214 334 CB_AB42_23 C_AB42_39 1 7.334588e-04 1.897269e-06 ; 3.705034e-01 7.088635e-02 7.457933e-04 8.939893e-05 0.000485 0.000060 True native_MD 7 214 335 CB_AB42_23 O_AB42_39 1 4.039246e-04 4.829464e-07 ; 3.257865e-01 8.445818e-02 7.477532e-04 1.492554e-04 0.000485 0.001191 True native_MD 7 214 336 - CB_AB42_23 N_AB42_40 1 0.000000e+00 3.674105e-06 ; 3.139961e-01 -3.674105e-06 6.352873e-04 9.758416e-05 0.000485 0.000060 True native_MD 7 214 337 + CB_AB42_23 N_AB42_40 1 0.000000e+00 3.674057e-06 ; 3.139958e-01 -3.674057e-06 6.352873e-04 9.758416e-05 0.000485 0.000060 True native_MD 7 214 337 CB_AB42_23 CA_AB42_40 1 4.866641e-03 3.829475e-05 ; 4.459830e-01 1.546178e-01 6.103787e-03 6.763489e-04 0.000485 0.001021 True native_MD 7 214 339 CB_AB42_23 CB_AB42_40 1 4.040380e-03 2.251920e-05 ; 4.210708e-01 1.812306e-01 1.353557e-02 1.011380e-03 0.000485 0.001021 True native_MD 7 214 340 CB_AB42_23 CG1_AB42_40 1 1.938336e-03 5.217644e-06 ; 3.729703e-01 1.800211e-01 1.305444e-02 8.861500e-04 0.000485 0.002332 True native_MD 7 214 341 @@ -42839,19 +42839,19 @@ OE2_AB42_22 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 CB_AB42_23 CD_AB42_41 1 2.896110e-03 1.001729e-05 ; 3.888862e-01 2.093244e-01 3.137637e-02 1.126325e-03 0.000485 0.002332 True native_MD 7 214 351 CB_AB42_23 C_AB42_41 1 3.022156e-03 1.652820e-05 ; 4.197443e-01 1.381492e-01 1.376064e-02 2.203737e-04 0.000485 0.000060 True native_MD 7 214 352 CB_AB42_23 O_AB42_41 1 1.312168e-03 2.002751e-06 ; 3.393175e-01 2.149275e-01 3.710436e-02 2.830215e-04 0.000485 0.001191 True native_MD 7 214 353 - CB_AB42_23 N_AB42_42 1 0.000000e+00 3.673806e-06 ; 3.139940e-01 -3.673806e-06 7.190684e-04 9.993260e-05 0.000485 0.000060 True native_MD 7 214 354 + CB_AB42_23 N_AB42_42 1 0.000000e+00 3.673757e-06 ; 3.139937e-01 -3.673757e-06 7.190684e-04 9.993260e-05 0.000485 0.000060 True native_MD 7 214 354 CB_AB42_23 CA_AB42_42 1 2.999458e-03 1.479433e-05 ; 4.125805e-01 1.520304e-01 6.173474e-03 1.115713e-03 0.000485 0.001021 True native_MD 7 214 356 CB_AB42_23 CB_AB42_42 1 1.434598e-03 3.553239e-06 ; 3.678316e-01 1.448025e-01 4.550231e-03 1.009140e-03 0.000485 0.002332 True native_MD 7 214 357 - CB_AB42_23 C_AB42_42 1 0.000000e+00 6.332349e-06 ; 3.285681e-01 -6.332349e-06 5.538140e-04 2.992526e-04 0.000485 0.000060 True native_MD 7 214 358 - CB_AB42_23 O1_AB42_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 359 - CB_AB42_23 O2_AB42_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 360 - CG_AB42_23 O_AB42_23 1 0.000000e+00 8.370186e-07 ; 2.775809e-01 -8.370186e-07 6.021756e-01 6.143599e-01 0.000485 0.000060 True native_MD 4 215 219 - CG_AB42_23 N_AB42_24 1 0.000000e+00 1.444438e-06 ; 2.904936e-01 -1.444438e-06 8.107902e-01 7.685456e-01 0.000485 0.000060 True native_MD 4 215 220 - CG_AB42_23 CA_AB42_24 1 0.000000e+00 1.394588e-05 ; 3.509125e-01 -1.394588e-05 3.339576e-01 4.024544e-01 0.000485 0.000060 True native_MD 5 215 222 - CG_AB42_23 CB_AB42_24 1 0.000000e+00 1.218857e-05 ; 3.469959e-01 -1.218857e-05 1.831828e-01 1.170390e-01 0.000485 0.000060 True native_MD 6 215 223 - CG_AB42_23 CG1_AB42_24 1 0.000000e+00 4.708879e-06 ; 3.205567e-01 -4.708879e-06 3.826910e-02 3.462203e-02 0.000485 0.000060 True native_MD 7 215 224 - CG_AB42_23 CG2_AB42_24 1 0.000000e+00 4.547783e-06 ; 3.196281e-01 -4.547783e-06 9.044114e-02 5.270774e-02 0.000485 0.000060 True native_MD 7 215 225 - CG_AB42_23 C_AB42_24 1 0.000000e+00 2.487119e-06 ; 3.039506e-01 -2.487119e-06 1.768608e-01 1.339716e-01 0.000485 0.000060 True native_MD 6 215 226 + CB_AB42_23 C_AB42_42 1 0.000000e+00 6.332242e-06 ; 3.285676e-01 -6.332242e-06 5.538140e-04 2.992526e-04 0.000485 0.000060 True native_MD 7 214 358 + CB_AB42_23 O1_AB42_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 359 + CB_AB42_23 O2_AB42_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 360 + CG_AB42_23 O_AB42_23 1 0.000000e+00 8.370147e-07 ; 2.775808e-01 -8.370147e-07 6.021756e-01 6.143599e-01 0.000485 0.000060 True native_MD 4 215 219 + CG_AB42_23 N_AB42_24 1 0.000000e+00 1.444417e-06 ; 2.904933e-01 -1.444417e-06 8.107902e-01 7.685456e-01 0.000485 0.000060 True native_MD 4 215 220 + CG_AB42_23 CA_AB42_24 1 0.000000e+00 1.394580e-05 ; 3.509123e-01 -1.394580e-05 3.339576e-01 4.024544e-01 0.000485 0.000060 True native_MD 5 215 222 + CG_AB42_23 CB_AB42_24 1 0.000000e+00 1.218850e-05 ; 3.469958e-01 -1.218850e-05 1.831828e-01 1.170390e-01 0.000485 0.000060 True native_MD 6 215 223 + CG_AB42_23 CG1_AB42_24 1 0.000000e+00 4.708818e-06 ; 3.205563e-01 -4.708818e-06 3.826910e-02 3.462203e-02 0.000485 0.000060 True native_MD 7 215 224 + CG_AB42_23 CG2_AB42_24 1 0.000000e+00 4.547724e-06 ; 3.196278e-01 -4.547724e-06 9.044114e-02 5.270774e-02 0.000485 0.000060 True native_MD 7 215 225 + CG_AB42_23 C_AB42_24 1 0.000000e+00 2.487075e-06 ; 3.039502e-01 -2.487075e-06 1.768608e-01 1.339716e-01 0.000485 0.000060 True native_MD 6 215 226 CG_AB42_23 O_AB42_24 1 9.019692e-04 1.736921e-06 ; 3.527211e-01 1.170964e-01 6.208950e-02 6.772399e-02 0.000485 0.002166 True native_MD 7 215 227 CG_AB42_23 N_AB42_25 1 4.822267e-04 4.508215e-07 ; 3.126983e-01 1.289549e-01 1.214433e-01 9.289037e-02 0.000485 0.002166 True native_MD 7 215 228 CG_AB42_23 CA_AB42_25 1 1.244075e-03 3.239519e-06 ; 3.709132e-01 1.194409e-01 1.177694e-01 8.756616e-02 0.000485 0.001584 True native_MD 7 215 230 @@ -42859,13 +42859,13 @@ OE2_AB42_22 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 CG_AB42_23 O_AB42_25 1 7.569853e-04 1.889704e-06 ; 3.683136e-01 7.580907e-02 2.108727e-03 7.913011e-03 0.000485 0.002166 True native_MD 7 215 232 CG_AB42_23 N_AB42_26 1 8.081800e-04 1.006625e-06 ; 3.280147e-01 1.622141e-01 8.329852e-02 2.354920e-02 0.000485 0.002166 True native_MD 7 215 233 CG_AB42_23 CA_AB42_26 1 2.333306e-03 1.012632e-05 ; 4.038747e-01 1.344101e-01 1.196200e-01 4.803501e-02 0.000485 0.001339 True native_MD 7 215 235 - CG_AB42_23 CB_AB42_26 1 0.000000e+00 5.120254e-06 ; 3.228018e-01 -5.120254e-06 2.680152e-01 7.639619e-02 0.000485 0.000060 True native_MD 7 215 236 + CG_AB42_23 CB_AB42_26 1 0.000000e+00 5.120168e-06 ; 3.228014e-01 -5.120168e-06 2.680152e-01 7.639619e-02 0.000485 0.000060 True native_MD 7 215 236 CG_AB42_23 OG_AB42_26 1 4.420206e-04 3.460163e-07 ; 3.035818e-01 1.411655e-01 8.650923e-02 4.591632e-02 0.000485 0.002166 True native_MD 7 215 237 CG_AB42_23 C_AB42_26 1 2.365430e-03 8.252954e-06 ; 3.894484e-01 1.694927e-01 1.751684e-02 3.982826e-03 0.000485 0.002166 True native_MD 7 215 238 CG_AB42_23 O_AB42_26 1 6.691317e-04 7.372809e-07 ; 3.213810e-01 1.518204e-01 1.319534e-02 5.091521e-03 0.000485 0.002166 True native_MD 7 215 239 CG_AB42_23 N_AB42_27 1 5.510314e-04 4.983985e-07 ; 3.109807e-01 1.523057e-01 1.130762e-02 4.300183e-03 0.000485 0.002166 True native_MD 7 215 240 CG_AB42_23 CA_AB42_27 1 1.985527e-03 7.416295e-06 ; 3.938993e-01 1.328938e-01 3.417940e-02 1.436236e-02 0.000485 0.001339 True native_MD 7 215 242 - CG_AB42_23 CB_AB42_27 1 0.000000e+00 6.225731e-06 ; 3.281035e-01 -6.225731e-06 3.270061e-02 1.561335e-02 0.000485 0.000060 True native_MD 7 215 243 + CG_AB42_23 CB_AB42_27 1 0.000000e+00 6.225626e-06 ; 3.281030e-01 -6.225626e-06 3.270061e-02 1.561335e-02 0.000485 0.000060 True native_MD 7 215 243 CG_AB42_23 CG_AB42_27 1 1.981415e-03 6.478081e-06 ; 3.852522e-01 1.515111e-01 2.898121e-02 1.128631e-02 0.000485 0.002166 True native_MD 7 215 244 CG_AB42_23 OD1_AB42_27 1 7.024788e-04 8.391092e-07 ; 3.257348e-01 1.470239e-01 1.703218e-02 7.586413e-03 0.000485 0.002166 True native_MD 7 215 245 CG_AB42_23 ND2_AB42_27 1 6.100996e-04 6.349990e-07 ; 3.183431e-01 1.465441e-01 4.471512e-02 2.020494e-02 0.000485 0.002166 True native_MD 7 215 246 @@ -42873,10 +42873,10 @@ OE2_AB42_22 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 CG_AB42_23 O_AB42_27 1 9.117736e-04 1.330056e-06 ; 3.367677e-01 1.562587e-01 1.019593e-02 3.444860e-03 0.000485 0.002166 True native_MD 7 215 248 CG_AB42_23 N_AB42_28 1 7.737649e-04 8.918906e-07 ; 3.238052e-01 1.678211e-01 9.061450e-03 1.440682e-03 0.000485 0.002166 True native_MD 7 215 249 CG_AB42_23 CA_AB42_28 1 1.985247e-03 6.623484e-06 ; 3.865556e-01 1.487588e-01 2.853197e-02 7.457624e-03 0.000485 0.001339 True native_MD 7 215 251 - CG_AB42_23 CB_AB42_28 1 0.000000e+00 6.146664e-06 ; 3.277542e-01 -6.146664e-06 3.668848e-02 7.118145e-03 0.000485 0.000060 True native_MD 7 215 252 - CG_AB42_23 CG_AB42_28 1 0.000000e+00 6.079887e-06 ; 3.274560e-01 -6.079887e-06 4.893027e-02 8.817307e-03 0.000485 0.000060 True native_MD 7 215 253 - CG_AB42_23 CD_AB42_28 1 0.000000e+00 5.992619e-06 ; 3.270617e-01 -5.992619e-06 6.562765e-02 1.173695e-02 0.000485 0.000060 True native_MD 7 215 254 - CG_AB42_23 CE_AB42_28 1 0.000000e+00 5.903382e-06 ; 3.266531e-01 -5.903382e-06 8.143388e-02 1.345449e-02 0.000485 0.000060 True native_MD 7 215 255 + CG_AB42_23 CB_AB42_28 1 0.000000e+00 6.146561e-06 ; 3.277538e-01 -6.146561e-06 3.668848e-02 7.118145e-03 0.000485 0.000060 True native_MD 7 215 252 + CG_AB42_23 CG_AB42_28 1 0.000000e+00 6.079785e-06 ; 3.274555e-01 -6.079785e-06 4.893027e-02 8.817307e-03 0.000485 0.000060 True native_MD 7 215 253 + CG_AB42_23 CD_AB42_28 1 0.000000e+00 5.992519e-06 ; 3.270613e-01 -5.992519e-06 6.562765e-02 1.173695e-02 0.000485 0.000060 True native_MD 7 215 254 + CG_AB42_23 CE_AB42_28 1 0.000000e+00 5.903283e-06 ; 3.266526e-01 -5.903283e-06 8.143388e-02 1.345449e-02 0.000485 0.000060 True native_MD 7 215 255 CG_AB42_23 NZ_AB42_28 1 4.910298e-04 3.155500e-07 ; 2.937605e-01 1.910238e-01 7.114164e-02 8.492436e-03 0.000485 0.002166 True native_MD 7 215 256 CG_AB42_23 C_AB42_28 1 2.537326e-03 9.056200e-06 ; 3.909264e-01 1.777242e-01 1.254633e-02 2.229819e-03 0.000485 0.002166 True native_MD 7 215 257 CG_AB42_23 O_AB42_28 1 1.289716e-03 3.497081e-06 ; 3.734238e-01 1.189111e-01 2.096675e-03 1.882706e-03 0.000485 0.002166 True native_MD 7 215 258 @@ -42886,39 +42886,39 @@ OE2_AB42_22 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 CG_AB42_23 O_AB42_29 1 1.021264e-03 2.095504e-06 ; 3.564717e-01 1.244306e-01 2.668981e-03 2.337485e-03 0.000485 0.002166 True native_MD 7 215 263 CG_AB42_23 N_AB42_30 1 6.568413e-04 7.042671e-07 ; 3.199235e-01 1.531523e-01 5.841881e-03 1.200369e-03 0.000485 0.002166 True native_MD 7 215 264 CG_AB42_23 CA_AB42_30 1 2.009805e-03 7.996002e-06 ; 3.980642e-01 1.262917e-01 1.209751e-02 6.193866e-03 0.000485 0.001339 True native_MD 7 215 266 - CG_AB42_23 CB_AB42_30 1 0.000000e+00 4.717050e-06 ; 3.206030e-01 -4.717050e-06 1.010942e-02 8.191157e-03 0.000485 0.000060 True native_MD 7 215 267 + CG_AB42_23 CB_AB42_30 1 0.000000e+00 4.716988e-06 ; 3.206026e-01 -4.716988e-06 1.010942e-02 8.191157e-03 0.000485 0.000060 True native_MD 7 215 267 CG_AB42_23 C_AB42_30 1 2.194192e-03 9.154940e-06 ; 4.012332e-01 1.314721e-01 3.053393e-03 8.727707e-04 0.000485 0.002166 True native_MD 7 215 268 CG_AB42_23 O_AB42_30 1 6.463657e-04 8.794906e-07 ; 3.328834e-01 1.187587e-01 2.087134e-03 1.349414e-03 0.000485 0.002166 True native_MD 7 215 269 CG_AB42_23 N_AB42_31 1 1.043937e-03 2.751126e-06 ; 3.716544e-01 9.903269e-02 1.156587e-03 1.909428e-04 0.000485 0.002166 True native_MD 7 215 270 CG_AB42_23 CA_AB42_31 1 3.468683e-03 2.107346e-05 ; 4.271646e-01 1.427359e-01 4.688498e-03 1.467506e-03 0.000485 0.001339 True native_MD 7 215 272 - CG_AB42_23 CB_AB42_31 1 0.000000e+00 1.298350e-05 ; 3.488277e-01 -1.298350e-05 7.572099e-03 2.334104e-03 0.000485 0.000060 True native_MD 7 215 273 - CG_AB42_23 CG1_AB42_31 1 0.000000e+00 6.300674e-06 ; 3.284308e-01 -6.300674e-06 8.268444e-03 3.013053e-03 0.000485 0.000060 True native_MD 7 215 274 - CG_AB42_23 CG2_AB42_31 1 0.000000e+00 4.701695e-06 ; 3.205159e-01 -4.701695e-06 8.275899e-03 3.108721e-03 0.000485 0.000060 True native_MD 7 215 275 - CG_AB42_23 CD_AB42_31 1 0.000000e+00 4.698713e-06 ; 3.204989e-01 -4.698713e-06 1.072080e-02 4.922745e-03 0.000485 0.000060 True native_MD 7 215 276 + CG_AB42_23 CB_AB42_31 1 0.000000e+00 1.298343e-05 ; 3.488276e-01 -1.298343e-05 7.572099e-03 2.334104e-03 0.000485 0.000060 True native_MD 7 215 273 + CG_AB42_23 CG1_AB42_31 1 0.000000e+00 6.300568e-06 ; 3.284304e-01 -6.300568e-06 8.268444e-03 3.013053e-03 0.000485 0.000060 True native_MD 7 215 274 + CG_AB42_23 CG2_AB42_31 1 0.000000e+00 4.701634e-06 ; 3.205155e-01 -4.701634e-06 8.275899e-03 3.108721e-03 0.000485 0.000060 True native_MD 7 215 275 + CG_AB42_23 CD_AB42_31 1 0.000000e+00 4.698652e-06 ; 3.204986e-01 -4.698652e-06 1.072080e-02 4.922745e-03 0.000485 0.000060 True native_MD 7 215 276 CG_AB42_23 CA_AB42_32 1 1.757474e-03 6.806682e-06 ; 3.962851e-01 1.134442e-01 1.780247e-03 1.164318e-03 0.000485 0.001339 True native_MD 7 215 281 - CG_AB42_23 CB_AB42_32 1 0.000000e+00 1.300892e-05 ; 3.488846e-01 -1.300892e-05 5.090413e-03 1.800238e-03 0.000485 0.000060 True native_MD 7 215 282 - CG_AB42_23 CG1_AB42_32 1 0.000000e+00 6.285809e-06 ; 3.283662e-01 -6.285809e-06 9.720739e-03 2.118483e-03 0.000485 0.000060 True native_MD 7 215 283 - CG_AB42_23 CG2_AB42_32 1 0.000000e+00 4.718785e-06 ; 3.206128e-01 -4.718785e-06 4.183157e-03 2.632037e-03 0.000485 0.000060 True native_MD 7 215 284 - CG_AB42_23 CD_AB42_32 1 0.000000e+00 4.679213e-06 ; 3.203879e-01 -4.679213e-06 1.361721e-02 3.693025e-03 0.000485 0.000060 True native_MD 7 215 285 + CG_AB42_23 CB_AB42_32 1 0.000000e+00 1.300885e-05 ; 3.488844e-01 -1.300885e-05 5.090413e-03 1.800238e-03 0.000485 0.000060 True native_MD 7 215 282 + CG_AB42_23 CG1_AB42_32 1 0.000000e+00 6.285703e-06 ; 3.283657e-01 -6.285703e-06 9.720739e-03 2.118483e-03 0.000485 0.000060 True native_MD 7 215 283 + CG_AB42_23 CG2_AB42_32 1 0.000000e+00 4.718723e-06 ; 3.206124e-01 -4.718723e-06 4.183157e-03 2.632037e-03 0.000485 0.000060 True native_MD 7 215 284 + CG_AB42_23 CD_AB42_32 1 0.000000e+00 4.679152e-06 ; 3.203875e-01 -4.679152e-06 1.361721e-02 3.693025e-03 0.000485 0.000060 True native_MD 7 215 285 CG_AB42_23 C_AB42_32 1 1.307227e-03 5.438535e-06 ; 4.010407e-01 7.855253e-02 6.266204e-04 4.718085e-04 0.000485 0.002166 True native_MD 7 215 286 CG_AB42_23 N_AB42_33 1 2.722261e-04 2.213964e-07 ; 3.055204e-01 8.368138e-02 7.305712e-04 7.065311e-04 0.000485 0.002166 True native_MD 7 215 288 CG_AB42_23 CA_AB42_33 1 9.938977e-04 2.499470e-06 ; 3.687661e-01 9.880421e-02 1.806012e-03 2.490188e-03 0.000485 0.001584 True native_MD 7 215 290 CG_AB42_23 C_AB42_33 1 1.133159e-03 4.115262e-06 ; 3.920587e-01 7.800537e-02 6.164435e-04 1.115633e-03 0.000485 0.002166 True native_MD 7 215 291 CG_AB42_23 CA_AB42_34 1 1.651924e-03 8.630136e-06 ; 4.165540e-01 7.905013e-02 6.360213e-04 7.829769e-04 0.000485 0.001339 True native_MD 7 215 295 - CG_AB42_23 CB_AB42_34 1 0.000000e+00 6.334942e-06 ; 3.285793e-01 -6.334942e-06 7.377089e-04 8.925970e-04 0.000485 0.000060 True native_MD 7 215 296 - CG_AB42_23 CG_AB42_34 1 0.000000e+00 1.305349e-05 ; 3.489840e-01 -1.305349e-05 2.081220e-03 2.205936e-03 0.000485 0.000060 True native_MD 7 215 297 - CG_AB42_23 CD1_AB42_34 1 0.000000e+00 4.722770e-06 ; 3.206354e-01 -4.722770e-06 2.683947e-03 1.976125e-03 0.000485 0.000060 True native_MD 7 215 298 - CG_AB42_23 CD2_AB42_34 1 0.000000e+00 4.722927e-06 ; 3.206362e-01 -4.722927e-06 2.433232e-03 1.758495e-03 0.000485 0.000060 True native_MD 7 215 299 + CG_AB42_23 CB_AB42_34 1 0.000000e+00 6.334836e-06 ; 3.285789e-01 -6.334836e-06 7.377089e-04 8.925970e-04 0.000485 0.000060 True native_MD 7 215 296 + CG_AB42_23 CG_AB42_34 1 0.000000e+00 1.305343e-05 ; 3.489839e-01 -1.305343e-05 2.081220e-03 2.205936e-03 0.000485 0.000060 True native_MD 7 215 297 + CG_AB42_23 CD1_AB42_34 1 0.000000e+00 4.722709e-06 ; 3.206350e-01 -4.722709e-06 2.683947e-03 1.976125e-03 0.000485 0.000060 True native_MD 7 215 298 + CG_AB42_23 CD2_AB42_34 1 0.000000e+00 4.722865e-06 ; 3.206359e-01 -4.722865e-06 2.433232e-03 1.758495e-03 0.000485 0.000060 True native_MD 7 215 299 CG_AB42_23 CA_AB42_35 1 1.726654e-03 9.557299e-06 ; 4.205862e-01 7.798579e-02 6.160824e-04 9.972618e-04 0.000485 0.001339 True native_MD 7 215 304 - CG_AB42_23 CB_AB42_35 1 0.000000e+00 6.337987e-06 ; 3.285925e-01 -6.337987e-06 7.571912e-04 1.392729e-03 0.000485 0.000060 True native_MD 7 215 305 - CG_AB42_23 CG_AB42_35 1 0.000000e+00 6.339801e-06 ; 3.286003e-01 -6.339801e-06 8.818712e-04 1.803907e-03 0.000485 0.000060 True native_MD 7 215 306 + CG_AB42_23 CB_AB42_35 1 0.000000e+00 6.337880e-06 ; 3.285920e-01 -6.337880e-06 7.571912e-04 1.392729e-03 0.000485 0.000060 True native_MD 7 215 305 + CG_AB42_23 CG_AB42_35 1 0.000000e+00 6.339695e-06 ; 3.285999e-01 -6.339695e-06 8.818712e-04 1.803907e-03 0.000485 0.000060 True native_MD 7 215 306 CG_AB42_23 SD_AB42_35 1 4.994649e-04 6.260805e-07 ; 3.283630e-01 9.961385e-02 1.176878e-03 1.710150e-03 0.000485 0.002166 True native_MD 7 215 307 - CG_AB42_23 CE_AB42_35 1 0.000000e+00 4.722465e-06 ; 3.206336e-01 -4.722465e-06 2.992433e-03 2.219902e-03 0.000485 0.000060 True native_MD 7 215 308 + CG_AB42_23 CE_AB42_35 1 0.000000e+00 4.722403e-06 ; 3.206333e-01 -4.722403e-06 2.992433e-03 2.219902e-03 0.000485 0.000060 True native_MD 7 215 308 CG_AB42_23 O_AB42_35 1 8.161511e-04 1.625970e-06 ; 3.547238e-01 1.024162e-01 1.279831e-03 4.789374e-04 0.000485 0.002166 True native_MD 7 215 310 CG_AB42_23 CA_AB42_36 1 1.806477e-03 5.019630e-06 ; 3.749499e-01 1.625299e-01 7.734463e-03 1.085158e-03 0.000485 0.001339 True native_MD 7 215 313 - CG_AB42_23 CB_AB42_36 1 0.000000e+00 1.294957e-05 ; 3.487517e-01 -1.294957e-05 1.012514e-02 2.287352e-03 0.000485 0.000060 True native_MD 7 215 314 - CG_AB42_23 CG1_AB42_36 1 0.000000e+00 4.688218e-06 ; 3.204392e-01 -4.688218e-06 1.002760e-02 2.008830e-03 0.000485 0.000060 True native_MD 7 215 315 - CG_AB42_23 CG2_AB42_36 1 0.000000e+00 4.711286e-06 ; 3.205703e-01 -4.711286e-06 4.943686e-03 1.805762e-03 0.000485 0.000060 True native_MD 7 215 316 + CG_AB42_23 CB_AB42_36 1 0.000000e+00 1.294950e-05 ; 3.487515e-01 -1.294950e-05 1.012514e-02 2.287352e-03 0.000485 0.000060 True native_MD 7 215 314 + CG_AB42_23 CG1_AB42_36 1 0.000000e+00 4.688157e-06 ; 3.204389e-01 -4.688157e-06 1.002760e-02 2.008830e-03 0.000485 0.000060 True native_MD 7 215 315 + CG_AB42_23 CG2_AB42_36 1 0.000000e+00 4.711224e-06 ; 3.205700e-01 -4.711224e-06 4.943686e-03 1.805762e-03 0.000485 0.000060 True native_MD 7 215 316 CG_AB42_23 C_AB42_36 1 2.128219e-03 7.515981e-06 ; 3.902368e-01 1.506562e-01 5.421403e-03 4.080354e-04 0.000485 0.002166 True native_MD 7 215 317 CG_AB42_23 O_AB42_36 1 4.561774e-04 5.682358e-07 ; 3.280191e-01 9.155433e-02 9.246654e-04 3.427529e-04 0.000485 0.002166 True native_MD 7 215 318 CG_AB42_23 N_AB42_37 1 6.668788e-04 7.134418e-07 ; 3.198050e-01 1.558387e-01 6.330917e-03 4.671136e-04 0.000485 0.002166 True native_MD 7 215 319 @@ -42929,13 +42929,13 @@ OE2_AB42_22 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 CG_AB42_23 CA_AB42_38 1 9.748561e-04 1.999982e-06 ; 3.564628e-01 1.187941e-01 2.089350e-03 1.099074e-03 0.000485 0.001584 True native_MD 7 215 326 CG_AB42_23 C_AB42_38 1 1.450592e-03 5.852558e-06 ; 3.989943e-01 8.988453e-02 8.795950e-04 3.116506e-04 0.000485 0.002166 True native_MD 7 215 327 CG_AB42_23 O_AB42_38 1 6.116381e-04 1.195884e-06 ; 3.536164e-01 7.820600e-02 6.201558e-04 1.209811e-04 0.000485 0.002166 True native_MD 7 215 328 - CG_AB42_23 CB_AB42_39 1 0.000000e+00 1.304608e-05 ; 3.489675e-01 -1.304608e-05 1.264583e-03 8.212156e-04 0.000485 0.000060 True native_MD 7 215 332 - CG_AB42_23 CG1_AB42_39 1 0.000000e+00 4.724267e-06 ; 3.206438e-01 -4.724267e-06 1.162598e-03 7.715229e-04 0.000485 0.000060 True native_MD 7 215 333 - CG_AB42_23 CG2_AB42_39 1 0.000000e+00 4.724777e-06 ; 3.206467e-01 -4.724777e-06 1.098441e-03 8.152334e-04 0.000485 0.000060 True native_MD 7 215 334 + CG_AB42_23 CB_AB42_39 1 0.000000e+00 1.304601e-05 ; 3.489674e-01 -1.304601e-05 1.264583e-03 8.212156e-04 0.000485 0.000060 True native_MD 7 215 332 + CG_AB42_23 CG1_AB42_39 1 0.000000e+00 4.724206e-06 ; 3.206435e-01 -4.724206e-06 1.162598e-03 7.715229e-04 0.000485 0.000060 True native_MD 7 215 333 + CG_AB42_23 CG2_AB42_39 1 0.000000e+00 4.724715e-06 ; 3.206464e-01 -4.724715e-06 1.098441e-03 8.152334e-04 0.000485 0.000060 True native_MD 7 215 334 CG_AB42_23 CA_AB42_40 1 3.700157e-03 3.387701e-05 ; 4.573838e-01 1.010358e-01 1.228039e-03 3.532595e-04 0.000485 0.001339 True native_MD 7 215 339 CG_AB42_23 CB_AB42_40 1 1.859797e-03 1.232001e-05 ; 4.333688e-01 7.018751e-02 7.420390e-03 9.082869e-04 0.000485 0.000060 True native_MD 7 215 340 CG_AB42_23 CG1_AB42_40 1 7.975286e-04 2.155893e-06 ; 3.732331e-01 7.375735e-02 6.536453e-03 7.190225e-04 0.000485 0.000060 True native_MD 7 215 341 - CG_AB42_23 CG2_AB42_40 1 0.000000e+00 4.698192e-06 ; 3.204960e-01 -4.698192e-06 6.847415e-03 9.389844e-04 0.000485 0.000060 True native_MD 7 215 342 + CG_AB42_23 CG2_AB42_40 1 0.000000e+00 4.698130e-06 ; 3.204956e-01 -4.698130e-06 6.847415e-03 9.389844e-04 0.000485 0.000060 True native_MD 7 215 342 CG_AB42_23 CA_AB42_41 1 7.212255e-03 8.291556e-05 ; 4.750735e-01 1.568361e-01 6.522745e-03 2.467517e-04 0.000485 0.001339 True native_MD 7 215 347 CG_AB42_23 CB_AB42_41 1 2.588695e-03 1.393709e-05 ; 4.186476e-01 1.202069e-01 2.800268e-02 7.672035e-04 0.000485 0.000060 True native_MD 7 215 348 CG_AB42_23 CG1_AB42_41 1 1.678134e-03 7.044314e-06 ; 4.016385e-01 9.994346e-02 1.488889e-02 7.480499e-04 0.000485 0.000060 True native_MD 7 215 349 @@ -42944,15 +42944,15 @@ OE2_AB42_22 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 CG_AB42_23 C_AB42_41 1 1.865269e-03 1.231547e-05 ; 4.331300e-01 7.062716e-02 4.943120e-04 1.089420e-04 0.000485 0.002166 True native_MD 7 215 352 CG_AB42_23 O_AB42_41 1 1.797707e-03 5.056172e-06 ; 3.757080e-01 1.597924e-01 7.126103e-03 4.043517e-04 0.000485 0.002166 True native_MD 7 215 353 CG_AB42_23 CA_AB42_42 1 4.348114e-03 3.877310e-05 ; 4.553775e-01 1.219021e-01 2.293005e-03 9.941632e-04 0.000485 0.001339 True native_MD 7 215 356 - CG_AB42_23 CB_AB42_42 1 0.000000e+00 4.718984e-06 ; 3.206139e-01 -4.718984e-06 2.358423e-03 8.494659e-04 0.000485 0.000060 True native_MD 7 215 357 + CG_AB42_23 CB_AB42_42 1 0.000000e+00 4.718923e-06 ; 3.206136e-01 -4.718923e-06 2.358423e-03 8.494659e-04 0.000485 0.000060 True native_MD 7 215 357 OD1_AB42_23 OD1_AB42_23 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 216 OD1_AB42_23 OD2_AB42_23 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 217 -OD1_AB42_23 C_AB42_23 1 0.000000e+00 6.747680e-07 ; 2.726410e-01 -6.747680e-07 5.293975e-01 5.374146e-01 0.000485 0.000060 True native_MD 4 216 218 +OD1_AB42_23 C_AB42_23 1 0.000000e+00 6.747651e-07 ; 2.726409e-01 -6.747651e-07 5.293975e-01 5.374146e-01 0.000485 0.000060 True native_MD 4 216 218 OD1_AB42_23 O_AB42_23 1 0.000000e+00 1.663057e-06 ; 2.939255e-01 -1.663057e-06 2.506089e-01 3.593137e-01 0.000485 0.000060 True native_MD 5 216 219 OD1_AB42_23 N_AB42_24 1 0.000000e+00 1.529132e-06 ; 2.918763e-01 -1.529132e-06 3.396778e-01 3.590994e-01 0.000485 0.000060 True native_MD 5 216 220 -OD1_AB42_23 H_AB42_24 1 0.000000e+00 1.175536e-08 ; 1.945426e-01 -1.175536e-08 1.080923e-01 4.401418e-02 0.000485 0.000060 True native_MD 6 216 221 -OD1_AB42_23 CA_AB42_24 1 0.000000e+00 3.341863e-06 ; 3.115258e-01 -3.341863e-06 1.683327e-01 1.622813e-01 0.000485 0.000060 True native_MD 6 216 222 -OD1_AB42_23 CB_AB42_24 1 0.000000e+00 3.155894e-06 ; 3.100430e-01 -3.155894e-06 9.578368e-02 3.442054e-02 0.000485 0.000060 True native_MD 7 216 223 +OD1_AB42_23 H_AB42_24 1 0.000000e+00 1.175555e-08 ; 1.945428e-01 -1.175555e-08 1.080923e-01 4.401418e-02 0.000485 0.000060 True native_MD 6 216 221 +OD1_AB42_23 CA_AB42_24 1 0.000000e+00 3.341890e-06 ; 3.115260e-01 -3.341890e-06 1.683327e-01 1.622813e-01 0.000485 0.000060 True native_MD 6 216 222 +OD1_AB42_23 CB_AB42_24 1 0.000000e+00 3.155919e-06 ; 3.100432e-01 -3.155919e-06 9.578368e-02 3.442054e-02 0.000485 0.000060 True native_MD 7 216 223 OD1_AB42_23 CG1_AB42_24 1 0.000000e+00 1.204658e-06 ; 2.861324e-01 -1.204658e-06 2.757281e-02 1.705323e-02 0.000485 0.000060 True native_MD 7 216 224 OD1_AB42_23 CG2_AB42_24 1 0.000000e+00 1.170940e-06 ; 2.854562e-01 -1.170940e-06 6.264134e-02 2.442636e-02 0.000485 0.000060 True native_MD 7 216 225 OD1_AB42_23 C_AB42_24 1 8.665715e-04 1.562993e-06 ; 3.488929e-01 1.201135e-01 5.511500e-02 5.492669e-02 0.000485 0.002166 True native_MD 7 216 226 @@ -42965,14 +42965,14 @@ OD1_AB42_23 O_AB42_25 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 OD1_AB42_23 N_AB42_26 1 1.837310e-04 5.881334e-08 ; 2.615465e-01 1.434925e-01 6.758338e-02 3.345884e-02 0.000485 0.002166 True native_MD 7 216 233 OD1_AB42_23 H_AB42_26 1 6.382226e-06 5.620574e-11 ; 1.437037e-01 1.811772e-01 2.182892e-02 8.586820e-03 0.000485 0.005316 True native_MD 7 216 234 OD1_AB42_23 CA_AB42_26 1 7.095137e-04 1.031071e-06 ; 3.365539e-01 1.220599e-01 4.911926e-02 2.854500e-02 0.000485 0.001339 True native_MD 7 216 235 -OD1_AB42_23 CB_AB42_26 1 0.000000e+00 1.589798e-06 ; 2.928241e-01 -1.589798e-06 6.335999e-02 3.770858e-02 0.000485 0.000060 True native_MD 7 216 236 +OD1_AB42_23 CB_AB42_26 1 0.000000e+00 1.589792e-06 ; 2.928240e-01 -1.589792e-06 6.335999e-02 3.770858e-02 0.000485 0.000060 True native_MD 7 216 236 OD1_AB42_23 OG_AB42_26 1 9.051486e-05 1.595195e-08 ; 2.367822e-01 1.284003e-01 3.206688e-02 2.493908e-02 0.000485 0.002166 True native_MD 7 216 237 OD1_AB42_23 C_AB42_26 1 6.484521e-04 7.099083e-07 ; 3.210362e-01 1.480790e-01 7.352516e-03 3.173157e-03 0.000485 0.002166 True native_MD 7 216 238 OD1_AB42_23 O_AB42_26 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 239 OD1_AB42_23 N_AB42_27 1 1.456718e-04 3.978103e-08 ; 2.547124e-01 1.333568e-01 1.135478e-02 7.613438e-03 0.000485 0.002166 True native_MD 7 216 240 OD1_AB42_23 H_AB42_27 1 6.648312e-06 7.399033e-11 ; 1.494206e-01 1.493440e-01 5.212641e-03 1.886236e-03 0.000485 0.005316 True native_MD 7 216 241 OD1_AB42_23 CA_AB42_27 1 5.090538e-04 5.340692e-07 ; 3.187662e-01 1.213025e-01 1.509863e-02 8.975501e-03 0.000485 0.001339 True native_MD 7 216 242 -OD1_AB42_23 CB_AB42_27 1 0.000000e+00 1.623530e-06 ; 2.933369e-01 -1.623530e-06 1.446897e-02 9.490995e-03 0.000485 0.000060 True native_MD 7 216 243 +OD1_AB42_23 CB_AB42_27 1 0.000000e+00 1.623524e-06 ; 2.933368e-01 -1.623524e-06 1.446897e-02 9.490995e-03 0.000485 0.000060 True native_MD 7 216 243 OD1_AB42_23 CG_AB42_27 1 6.758683e-04 8.368023e-07 ; 3.276877e-01 1.364713e-01 1.263334e-02 7.716767e-03 0.000485 0.002166 True native_MD 7 216 244 OD1_AB42_23 OD1_AB42_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 245 OD1_AB42_23 ND2_AB42_27 1 1.435664e-04 3.877528e-08 ; 2.542438e-01 1.328895e-01 2.036698e-02 1.384866e-02 0.000485 0.002166 True native_MD 7 216 246 @@ -42981,10 +42981,10 @@ OD1_AB42_23 O_AB42_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 OD1_AB42_23 N_AB42_28 1 1.749126e-04 4.914489e-08 ; 2.559231e-01 1.556338e-01 1.045183e-02 3.598049e-03 0.000485 0.002166 True native_MD 7 216 249 OD1_AB42_23 H_AB42_28 1 4.244172e-06 3.204987e-11 ; 1.400680e-01 1.405075e-01 4.001410e-03 4.111547e-04 0.000485 0.005316 True native_MD 7 216 250 OD1_AB42_23 CA_AB42_28 1 6.134845e-04 6.982232e-07 ; 3.231209e-01 1.347575e-01 1.360433e-02 5.406653e-03 0.000485 0.001339 True native_MD 7 216 251 -OD1_AB42_23 CB_AB42_28 1 0.000000e+00 1.611088e-06 ; 2.931489e-01 -1.611088e-06 1.716170e-02 4.558247e-03 0.000485 0.000060 True native_MD 7 216 252 -OD1_AB42_23 CG_AB42_28 1 0.000000e+00 1.598498e-06 ; 2.929573e-01 -1.598498e-06 2.609146e-02 5.772185e-03 0.000485 0.000060 True native_MD 7 216 253 -OD1_AB42_23 CD_AB42_28 1 0.000000e+00 1.576992e-06 ; 2.926268e-01 -1.576992e-06 4.144789e-02 7.948279e-03 0.000485 0.000060 True native_MD 7 216 254 -OD1_AB42_23 CE_AB42_28 1 0.000000e+00 1.558549e-06 ; 2.923401e-01 -1.558549e-06 5.321227e-02 8.409136e-03 0.000485 0.000060 True native_MD 7 216 255 +OD1_AB42_23 CB_AB42_28 1 0.000000e+00 1.611082e-06 ; 2.931488e-01 -1.611082e-06 1.716170e-02 4.558247e-03 0.000485 0.000060 True native_MD 7 216 252 +OD1_AB42_23 CG_AB42_28 1 0.000000e+00 1.598493e-06 ; 2.929572e-01 -1.598493e-06 2.609146e-02 5.772185e-03 0.000485 0.000060 True native_MD 7 216 253 +OD1_AB42_23 CD_AB42_28 1 0.000000e+00 1.576987e-06 ; 2.926267e-01 -1.576987e-06 4.144789e-02 7.948279e-03 0.000485 0.000060 True native_MD 7 216 254 +OD1_AB42_23 CE_AB42_28 1 0.000000e+00 1.558544e-06 ; 2.923400e-01 -1.558544e-06 5.321227e-02 8.409136e-03 0.000485 0.000060 True native_MD 7 216 255 OD1_AB42_23 NZ_AB42_28 1 1.332647e-04 2.325736e-08 ; 2.363964e-01 1.909017e-01 5.167702e-02 6.191660e-03 0.000485 0.002166 True native_MD 7 216 256 OD1_AB42_23 C_AB42_28 1 7.284326e-04 8.394160e-07 ; 3.237909e-01 1.580307e-01 6.760148e-03 1.564013e-03 0.000485 0.002166 True native_MD 7 216 257 OD1_AB42_23 O_AB42_28 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 258 @@ -43002,15 +43002,15 @@ OD1_AB42_23 O_AB42_30 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 OD1_AB42_23 N_AB42_31 1 1.277328e-04 4.145192e-08 ; 2.621443e-01 9.840113e-02 1.134933e-03 5.388919e-04 0.000485 0.002166 True native_MD 7 216 270 OD1_AB42_23 H_AB42_31 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 271 OD1_AB42_23 CA_AB42_31 1 4.760555e-04 4.678613e-07 ; 3.153140e-01 1.210983e-01 2.238504e-03 9.288733e-04 0.000485 0.001339 True native_MD 7 216 272 -OD1_AB42_23 CB_AB42_31 1 0.000000e+00 3.358563e-06 ; 3.116553e-01 -3.358563e-06 2.905349e-03 1.820858e-03 0.000485 0.000060 True native_MD 7 216 273 -OD1_AB42_23 CG1_AB42_31 1 0.000000e+00 1.629920e-06 ; 2.934329e-01 -1.629920e-06 3.236677e-03 2.175255e-03 0.000485 0.000060 True native_MD 7 216 274 -OD1_AB42_23 CG2_AB42_31 1 0.000000e+00 1.214944e-06 ; 2.863352e-01 -1.214944e-06 3.616844e-03 1.546225e-03 0.000485 0.000060 True native_MD 7 216 275 +OD1_AB42_23 CB_AB42_31 1 0.000000e+00 3.358590e-06 ; 3.116555e-01 -3.358590e-06 2.905349e-03 1.820858e-03 0.000485 0.000060 True native_MD 7 216 273 +OD1_AB42_23 CG1_AB42_31 1 0.000000e+00 1.629915e-06 ; 2.934329e-01 -1.629915e-06 3.236677e-03 2.175255e-03 0.000485 0.000060 True native_MD 7 216 274 +OD1_AB42_23 CG2_AB42_31 1 0.000000e+00 1.214945e-06 ; 2.863352e-01 -1.214945e-06 3.616844e-03 1.546225e-03 0.000485 0.000060 True native_MD 7 216 275 OD1_AB42_23 CD_AB42_31 1 0.000000e+00 1.216329e-06 ; 2.863623e-01 -1.216329e-06 4.426719e-03 3.493154e-03 0.000485 0.000060 True native_MD 7 216 276 OD1_AB42_23 O_AB42_31 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 278 OD1_AB42_23 H_AB42_32 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 280 OD1_AB42_23 CA_AB42_32 1 6.094503e-04 9.779952e-07 ; 3.421630e-01 9.494671e-02 1.023468e-03 6.650563e-04 0.000485 0.001339 True native_MD 7 216 281 -OD1_AB42_23 CB_AB42_32 1 0.000000e+00 3.359743e-06 ; 3.116644e-01 -3.359743e-06 1.802426e-03 1.068963e-03 0.000485 0.000060 True native_MD 7 216 282 -OD1_AB42_23 CG1_AB42_32 1 0.000000e+00 1.628682e-06 ; 2.934144e-01 -1.628682e-06 3.121301e-03 1.301286e-03 0.000485 0.000060 True native_MD 7 216 283 +OD1_AB42_23 CB_AB42_32 1 0.000000e+00 3.359771e-06 ; 3.116646e-01 -3.359771e-06 1.802426e-03 1.068963e-03 0.000485 0.000060 True native_MD 7 216 282 +OD1_AB42_23 CG1_AB42_32 1 0.000000e+00 1.628677e-06 ; 2.934143e-01 -1.628677e-06 3.121301e-03 1.301286e-03 0.000485 0.000060 True native_MD 7 216 283 OD1_AB42_23 CG2_AB42_32 1 0.000000e+00 1.216985e-06 ; 2.863752e-01 -1.216985e-06 1.963383e-03 1.569121e-03 0.000485 0.000060 True native_MD 7 216 284 OD1_AB42_23 CD_AB42_32 1 0.000000e+00 1.214714e-06 ; 2.863306e-01 -1.214714e-06 4.778384e-03 2.518284e-03 0.000485 0.000060 True native_MD 7 216 285 OD1_AB42_23 O_AB42_32 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 287 @@ -43019,23 +43019,23 @@ OD1_AB42_23 H_AB42_33 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000 OD1_AB42_23 CA_AB42_33 1 3.358177e-04 2.929663e-07 ; 3.091142e-01 9.623424e-02 1.305438e-03 1.943934e-03 0.000485 0.001584 True native_MD 7 216 290 OD1_AB42_23 O_AB42_33 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 292 OD1_AB42_23 H_AB42_34 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 294 -OD1_AB42_23 CB_AB42_34 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 296 -OD1_AB42_23 CG_AB42_34 1 0.000000e+00 3.365101e-06 ; 3.117058e-01 -3.365101e-06 5.856992e-04 1.445888e-03 0.000485 0.000060 True native_MD 7 216 297 +OD1_AB42_23 CB_AB42_34 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 296 +OD1_AB42_23 CG_AB42_34 1 0.000000e+00 3.365129e-06 ; 3.117060e-01 -3.365129e-06 5.856992e-04 1.445888e-03 0.000485 0.000060 True native_MD 7 216 297 OD1_AB42_23 CD1_AB42_34 1 0.000000e+00 1.217927e-06 ; 2.863937e-01 -1.217927e-06 8.493768e-04 1.228649e-03 0.000485 0.000060 True native_MD 7 216 298 OD1_AB42_23 CD2_AB42_34 1 0.000000e+00 1.217833e-06 ; 2.863918e-01 -1.217833e-06 8.219641e-04 1.123956e-03 0.000485 0.000060 True native_MD 7 216 299 OD1_AB42_23 O_AB42_34 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 301 OD1_AB42_23 H_AB42_35 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 303 -OD1_AB42_23 CB_AB42_35 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 305 -OD1_AB42_23 CG_AB42_35 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 306 +OD1_AB42_23 CB_AB42_35 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 305 +OD1_AB42_23 CG_AB42_35 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 306 OD1_AB42_23 SD_AB42_35 1 3.750240e-04 4.722634e-07 ; 3.286151e-01 7.445156e-02 5.542498e-04 1.290684e-03 0.000485 0.002166 True native_MD 7 216 307 OD1_AB42_23 CE_AB42_35 1 0.000000e+00 1.217784e-06 ; 2.863909e-01 -1.217784e-06 7.401800e-04 1.002048e-03 0.000485 0.000060 True native_MD 7 216 308 OD1_AB42_23 O_AB42_35 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 310 OD1_AB42_23 N_AB42_36 1 1.609078e-03 6.172167e-06 ; 3.956490e-01 1.048713e-01 1.377402e-03 1.554755e-04 0.000485 0.002166 True native_MD 7 216 311 OD1_AB42_23 H_AB42_36 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 312 OD1_AB42_23 CA_AB42_36 1 5.024258e-04 4.498232e-07 ; 3.104524e-01 1.402950e-01 3.976038e-03 5.275636e-04 0.000485 0.001339 True native_MD 7 216 313 -OD1_AB42_23 CB_AB42_36 1 0.000000e+00 3.347503e-06 ; 3.115696e-01 -3.347503e-06 5.671846e-03 1.297769e-03 0.000485 0.000060 True native_MD 7 216 314 +OD1_AB42_23 CB_AB42_36 1 0.000000e+00 3.347530e-06 ; 3.115698e-01 -3.347530e-06 5.671846e-03 1.297769e-03 0.000485 0.000060 True native_MD 7 216 314 OD1_AB42_23 CG1_AB42_36 1 0.000000e+00 1.213361e-06 ; 2.863041e-01 -1.213361e-06 4.719512e-03 1.348603e-03 0.000485 0.000060 True native_MD 7 216 315 -OD1_AB42_23 CG2_AB42_36 1 0.000000e+00 1.216049e-06 ; 2.863569e-01 -1.216049e-06 2.088335e-03 9.253480e-04 0.000485 0.000060 True native_MD 7 216 316 +OD1_AB42_23 CG2_AB42_36 1 0.000000e+00 1.216050e-06 ; 2.863569e-01 -1.216050e-06 2.088335e-03 9.253480e-04 0.000485 0.000060 True native_MD 7 216 316 OD1_AB42_23 C_AB42_36 1 5.544557e-04 5.873042e-07 ; 3.192758e-01 1.308611e-01 2.998070e-03 2.475824e-04 0.000485 0.002166 True native_MD 7 216 317 OD1_AB42_23 O_AB42_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 318 OD1_AB42_23 N_AB42_37 1 1.471873e-04 3.638195e-08 ; 2.505163e-01 1.488658e-01 5.138568e-03 7.168094e-04 0.000485 0.002166 True native_MD 7 216 319 @@ -43048,13 +43048,13 @@ OD1_AB42_23 H_AB42_38 1 4.249396e-06 6.386810e-11 ; 1.570940e-01 7.068226 OD1_AB42_23 CA_AB42_38 1 3.202219e-04 2.432353e-07 ; 3.020619e-01 1.053939e-01 1.399114e-03 7.751122e-04 0.000485 0.001584 True native_MD 7 216 326 OD1_AB42_23 O_AB42_38 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 328 OD1_AB42_23 H_AB42_39 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 330 -OD1_AB42_23 CB_AB42_39 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 332 +OD1_AB42_23 CB_AB42_39 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 332 OD1_AB42_23 CG1_AB42_39 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 333 OD1_AB42_23 CG2_AB42_39 1 0.000000e+00 1.217113e-06 ; 2.863777e-01 -1.217113e-06 6.032789e-04 3.140390e-04 0.000485 0.000060 True native_MD 7 216 334 OD1_AB42_23 O_AB42_39 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 336 OD1_AB42_23 H_AB42_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 338 OD1_AB42_23 CA_AB42_40 1 1.748616e-03 8.992966e-06 ; 4.154653e-01 8.500143e-02 7.600089e-04 2.098590e-04 0.000485 0.001339 True native_MD 7 216 339 -OD1_AB42_23 CB_AB42_40 1 0.000000e+00 3.352533e-06 ; 3.116086e-01 -3.352533e-06 3.408629e-03 5.307833e-04 0.000485 0.000060 True native_MD 7 216 340 +OD1_AB42_23 CB_AB42_40 1 0.000000e+00 3.352561e-06 ; 3.116088e-01 -3.352561e-06 3.408629e-03 5.307833e-04 0.000485 0.000060 True native_MD 7 216 340 OD1_AB42_23 CG1_AB42_40 1 3.082023e-04 3.251793e-07 ; 3.190665e-01 7.302792e-02 3.469372e-03 3.900600e-04 0.000485 0.000060 True native_MD 7 216 341 OD1_AB42_23 CG2_AB42_40 1 0.000000e+00 1.214115e-06 ; 2.863189e-01 -1.214115e-06 3.174422e-03 4.228401e-04 0.000485 0.000060 True native_MD 7 216 342 OD1_AB42_23 O_AB42_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 344 @@ -43072,12 +43072,12 @@ OD1_AB42_23 CB_AB42_42 1 0.000000e+00 1.215872e-06 ; 2.863534e-01 -1.215872 OD1_AB42_23 O1_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 359 OD1_AB42_23 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 360 OD2_AB42_23 OD2_AB42_23 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 217 217 -OD2_AB42_23 C_AB42_23 1 0.000000e+00 6.747680e-07 ; 2.726410e-01 -6.747680e-07 5.293975e-01 5.374146e-01 0.000485 0.000060 True native_MD 4 217 218 +OD2_AB42_23 C_AB42_23 1 0.000000e+00 6.747651e-07 ; 2.726409e-01 -6.747651e-07 5.293975e-01 5.374146e-01 0.000485 0.000060 True native_MD 4 217 218 OD2_AB42_23 O_AB42_23 1 0.000000e+00 1.663057e-06 ; 2.939255e-01 -1.663057e-06 2.506089e-01 3.593137e-01 0.000485 0.000060 True native_MD 5 217 219 OD2_AB42_23 N_AB42_24 1 0.000000e+00 1.529132e-06 ; 2.918763e-01 -1.529132e-06 3.396778e-01 3.590994e-01 0.000485 0.000060 True native_MD 5 217 220 -OD2_AB42_23 H_AB42_24 1 0.000000e+00 1.175536e-08 ; 1.945426e-01 -1.175536e-08 1.080923e-01 4.401418e-02 0.000485 0.000060 True native_MD 6 217 221 -OD2_AB42_23 CA_AB42_24 1 0.000000e+00 3.341863e-06 ; 3.115258e-01 -3.341863e-06 1.683327e-01 1.622813e-01 0.000485 0.000060 True native_MD 6 217 222 -OD2_AB42_23 CB_AB42_24 1 0.000000e+00 3.155894e-06 ; 3.100430e-01 -3.155894e-06 9.578368e-02 3.442054e-02 0.000485 0.000060 True native_MD 7 217 223 +OD2_AB42_23 H_AB42_24 1 0.000000e+00 1.175555e-08 ; 1.945428e-01 -1.175555e-08 1.080923e-01 4.401418e-02 0.000485 0.000060 True native_MD 6 217 221 +OD2_AB42_23 CA_AB42_24 1 0.000000e+00 3.341890e-06 ; 3.115260e-01 -3.341890e-06 1.683327e-01 1.622813e-01 0.000485 0.000060 True native_MD 6 217 222 +OD2_AB42_23 CB_AB42_24 1 0.000000e+00 3.155919e-06 ; 3.100432e-01 -3.155919e-06 9.578368e-02 3.442054e-02 0.000485 0.000060 True native_MD 7 217 223 OD2_AB42_23 CG1_AB42_24 1 0.000000e+00 1.204658e-06 ; 2.861324e-01 -1.204658e-06 2.757281e-02 1.705323e-02 0.000485 0.000060 True native_MD 7 217 224 OD2_AB42_23 CG2_AB42_24 1 0.000000e+00 1.170940e-06 ; 2.854562e-01 -1.170940e-06 6.264134e-02 2.442636e-02 0.000485 0.000060 True native_MD 7 217 225 OD2_AB42_23 C_AB42_24 1 8.665715e-04 1.562993e-06 ; 3.488929e-01 1.201135e-01 5.511500e-02 5.492669e-02 0.000485 0.002166 True native_MD 7 217 226 @@ -43090,14 +43090,14 @@ OD2_AB42_23 O_AB42_25 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 OD2_AB42_23 N_AB42_26 1 1.837310e-04 5.881334e-08 ; 2.615465e-01 1.434925e-01 6.758338e-02 3.345884e-02 0.000485 0.002166 True native_MD 7 217 233 OD2_AB42_23 H_AB42_26 1 6.382226e-06 5.620574e-11 ; 1.437037e-01 1.811772e-01 2.182892e-02 8.586820e-03 0.000485 0.005316 True native_MD 7 217 234 OD2_AB42_23 CA_AB42_26 1 7.095137e-04 1.031071e-06 ; 3.365539e-01 1.220599e-01 4.911926e-02 2.854500e-02 0.000485 0.001339 True native_MD 7 217 235 -OD2_AB42_23 CB_AB42_26 1 0.000000e+00 1.589798e-06 ; 2.928241e-01 -1.589798e-06 6.335999e-02 3.770858e-02 0.000485 0.000060 True native_MD 7 217 236 +OD2_AB42_23 CB_AB42_26 1 0.000000e+00 1.589792e-06 ; 2.928240e-01 -1.589792e-06 6.335999e-02 3.770858e-02 0.000485 0.000060 True native_MD 7 217 236 OD2_AB42_23 OG_AB42_26 1 9.051486e-05 1.595195e-08 ; 2.367822e-01 1.284003e-01 3.206688e-02 2.493908e-02 0.000485 0.002166 True native_MD 7 217 237 OD2_AB42_23 C_AB42_26 1 6.484521e-04 7.099083e-07 ; 3.210362e-01 1.480790e-01 7.352516e-03 3.173157e-03 0.000485 0.002166 True native_MD 7 217 238 OD2_AB42_23 O_AB42_26 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 217 239 OD2_AB42_23 N_AB42_27 1 1.456718e-04 3.978103e-08 ; 2.547124e-01 1.333568e-01 1.135478e-02 7.613438e-03 0.000485 0.002166 True native_MD 7 217 240 OD2_AB42_23 H_AB42_27 1 6.648312e-06 7.399033e-11 ; 1.494206e-01 1.493440e-01 5.212641e-03 1.886236e-03 0.000485 0.005316 True native_MD 7 217 241 OD2_AB42_23 CA_AB42_27 1 5.090538e-04 5.340692e-07 ; 3.187662e-01 1.213025e-01 1.509863e-02 8.975501e-03 0.000485 0.001339 True native_MD 7 217 242 -OD2_AB42_23 CB_AB42_27 1 0.000000e+00 1.623530e-06 ; 2.933369e-01 -1.623530e-06 1.446897e-02 9.490995e-03 0.000485 0.000060 True native_MD 7 217 243 +OD2_AB42_23 CB_AB42_27 1 0.000000e+00 1.623524e-06 ; 2.933368e-01 -1.623524e-06 1.446897e-02 9.490995e-03 0.000485 0.000060 True native_MD 7 217 243 OD2_AB42_23 CG_AB42_27 1 6.758683e-04 8.368023e-07 ; 3.276877e-01 1.364713e-01 1.263334e-02 7.716767e-03 0.000485 0.002166 True native_MD 7 217 244 OD2_AB42_23 OD1_AB42_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 217 245 OD2_AB42_23 ND2_AB42_27 1 1.435664e-04 3.877528e-08 ; 2.542438e-01 1.328895e-01 2.036698e-02 1.384866e-02 0.000485 0.002166 True native_MD 7 217 246 @@ -43106,10 +43106,10 @@ OD2_AB42_23 O_AB42_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 OD2_AB42_23 N_AB42_28 1 1.749126e-04 4.914489e-08 ; 2.559231e-01 1.556338e-01 1.045183e-02 3.598049e-03 0.000485 0.002166 True native_MD 7 217 249 OD2_AB42_23 H_AB42_28 1 4.244172e-06 3.204987e-11 ; 1.400680e-01 1.405075e-01 4.001410e-03 4.111547e-04 0.000485 0.005316 True native_MD 7 217 250 OD2_AB42_23 CA_AB42_28 1 6.134845e-04 6.982232e-07 ; 3.231209e-01 1.347575e-01 1.360433e-02 5.406653e-03 0.000485 0.001339 True native_MD 7 217 251 -OD2_AB42_23 CB_AB42_28 1 0.000000e+00 1.611088e-06 ; 2.931489e-01 -1.611088e-06 1.716170e-02 4.558247e-03 0.000485 0.000060 True native_MD 7 217 252 -OD2_AB42_23 CG_AB42_28 1 0.000000e+00 1.598498e-06 ; 2.929573e-01 -1.598498e-06 2.609146e-02 5.772185e-03 0.000485 0.000060 True native_MD 7 217 253 -OD2_AB42_23 CD_AB42_28 1 0.000000e+00 1.576992e-06 ; 2.926268e-01 -1.576992e-06 4.144789e-02 7.948279e-03 0.000485 0.000060 True native_MD 7 217 254 -OD2_AB42_23 CE_AB42_28 1 0.000000e+00 1.558549e-06 ; 2.923401e-01 -1.558549e-06 5.321227e-02 8.409136e-03 0.000485 0.000060 True native_MD 7 217 255 +OD2_AB42_23 CB_AB42_28 1 0.000000e+00 1.611082e-06 ; 2.931488e-01 -1.611082e-06 1.716170e-02 4.558247e-03 0.000485 0.000060 True native_MD 7 217 252 +OD2_AB42_23 CG_AB42_28 1 0.000000e+00 1.598493e-06 ; 2.929572e-01 -1.598493e-06 2.609146e-02 5.772185e-03 0.000485 0.000060 True native_MD 7 217 253 +OD2_AB42_23 CD_AB42_28 1 0.000000e+00 1.576987e-06 ; 2.926267e-01 -1.576987e-06 4.144789e-02 7.948279e-03 0.000485 0.000060 True native_MD 7 217 254 +OD2_AB42_23 CE_AB42_28 1 0.000000e+00 1.558544e-06 ; 2.923400e-01 -1.558544e-06 5.321227e-02 8.409136e-03 0.000485 0.000060 True native_MD 7 217 255 OD2_AB42_23 NZ_AB42_28 1 1.332647e-04 2.325736e-08 ; 2.363964e-01 1.909017e-01 5.167702e-02 6.191660e-03 0.000485 0.002166 True native_MD 7 217 256 OD2_AB42_23 C_AB42_28 1 7.284326e-04 8.394160e-07 ; 3.237909e-01 1.580307e-01 6.760148e-03 1.564013e-03 0.000485 0.002166 True native_MD 7 217 257 OD2_AB42_23 O_AB42_28 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 217 258 @@ -43127,15 +43127,15 @@ OD2_AB42_23 O_AB42_30 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 OD2_AB42_23 N_AB42_31 1 1.277328e-04 4.145192e-08 ; 2.621443e-01 9.840113e-02 1.134933e-03 5.388919e-04 0.000485 0.002166 True native_MD 7 217 270 OD2_AB42_23 H_AB42_31 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 217 271 OD2_AB42_23 CA_AB42_31 1 4.760555e-04 4.678613e-07 ; 3.153140e-01 1.210983e-01 2.238504e-03 9.288733e-04 0.000485 0.001339 True native_MD 7 217 272 -OD2_AB42_23 CB_AB42_31 1 0.000000e+00 3.358563e-06 ; 3.116553e-01 -3.358563e-06 2.905349e-03 1.820858e-03 0.000485 0.000060 True native_MD 7 217 273 -OD2_AB42_23 CG1_AB42_31 1 0.000000e+00 1.629920e-06 ; 2.934329e-01 -1.629920e-06 3.236677e-03 2.175255e-03 0.000485 0.000060 True native_MD 7 217 274 -OD2_AB42_23 CG2_AB42_31 1 0.000000e+00 1.214944e-06 ; 2.863352e-01 -1.214944e-06 3.616844e-03 1.546225e-03 0.000485 0.000060 True native_MD 7 217 275 +OD2_AB42_23 CB_AB42_31 1 0.000000e+00 3.358590e-06 ; 3.116555e-01 -3.358590e-06 2.905349e-03 1.820858e-03 0.000485 0.000060 True native_MD 7 217 273 +OD2_AB42_23 CG1_AB42_31 1 0.000000e+00 1.629915e-06 ; 2.934329e-01 -1.629915e-06 3.236677e-03 2.175255e-03 0.000485 0.000060 True native_MD 7 217 274 +OD2_AB42_23 CG2_AB42_31 1 0.000000e+00 1.214945e-06 ; 2.863352e-01 -1.214945e-06 3.616844e-03 1.546225e-03 0.000485 0.000060 True native_MD 7 217 275 OD2_AB42_23 CD_AB42_31 1 0.000000e+00 1.216329e-06 ; 2.863623e-01 -1.216329e-06 4.426719e-03 3.493154e-03 0.000485 0.000060 True native_MD 7 217 276 OD2_AB42_23 O_AB42_31 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 217 278 OD2_AB42_23 H_AB42_32 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 217 280 OD2_AB42_23 CA_AB42_32 1 6.094503e-04 9.779952e-07 ; 3.421630e-01 9.494671e-02 1.023468e-03 6.650563e-04 0.000485 0.001339 True native_MD 7 217 281 -OD2_AB42_23 CB_AB42_32 1 0.000000e+00 3.359743e-06 ; 3.116644e-01 -3.359743e-06 1.802426e-03 1.068963e-03 0.000485 0.000060 True native_MD 7 217 282 -OD2_AB42_23 CG1_AB42_32 1 0.000000e+00 1.628682e-06 ; 2.934144e-01 -1.628682e-06 3.121301e-03 1.301286e-03 0.000485 0.000060 True native_MD 7 217 283 +OD2_AB42_23 CB_AB42_32 1 0.000000e+00 3.359771e-06 ; 3.116646e-01 -3.359771e-06 1.802426e-03 1.068963e-03 0.000485 0.000060 True native_MD 7 217 282 +OD2_AB42_23 CG1_AB42_32 1 0.000000e+00 1.628677e-06 ; 2.934143e-01 -1.628677e-06 3.121301e-03 1.301286e-03 0.000485 0.000060 True native_MD 7 217 283 OD2_AB42_23 CG2_AB42_32 1 0.000000e+00 1.216985e-06 ; 2.863752e-01 -1.216985e-06 1.963383e-03 1.569121e-03 0.000485 0.000060 True native_MD 7 217 284 OD2_AB42_23 CD_AB42_32 1 0.000000e+00 1.214714e-06 ; 2.863306e-01 -1.214714e-06 4.778384e-03 2.518284e-03 0.000485 0.000060 True native_MD 7 217 285 OD2_AB42_23 O_AB42_32 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 217 287 @@ -43144,23 +43144,23 @@ OD2_AB42_23 H_AB42_33 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000 OD2_AB42_23 CA_AB42_33 1 3.358177e-04 2.929663e-07 ; 3.091142e-01 9.623424e-02 1.305438e-03 1.943934e-03 0.000485 0.001584 True native_MD 7 217 290 OD2_AB42_23 O_AB42_33 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 217 292 OD2_AB42_23 H_AB42_34 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 217 294 -OD2_AB42_23 CB_AB42_34 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 217 296 -OD2_AB42_23 CG_AB42_34 1 0.000000e+00 3.365101e-06 ; 3.117058e-01 -3.365101e-06 5.856992e-04 1.445888e-03 0.000485 0.000060 True native_MD 7 217 297 +OD2_AB42_23 CB_AB42_34 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 217 296 +OD2_AB42_23 CG_AB42_34 1 0.000000e+00 3.365129e-06 ; 3.117060e-01 -3.365129e-06 5.856992e-04 1.445888e-03 0.000485 0.000060 True native_MD 7 217 297 OD2_AB42_23 CD1_AB42_34 1 0.000000e+00 1.217927e-06 ; 2.863937e-01 -1.217927e-06 8.493768e-04 1.228649e-03 0.000485 0.000060 True native_MD 7 217 298 OD2_AB42_23 CD2_AB42_34 1 0.000000e+00 1.217833e-06 ; 2.863918e-01 -1.217833e-06 8.219641e-04 1.123956e-03 0.000485 0.000060 True native_MD 7 217 299 OD2_AB42_23 O_AB42_34 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 217 301 OD2_AB42_23 H_AB42_35 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 217 303 -OD2_AB42_23 CB_AB42_35 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 217 305 -OD2_AB42_23 CG_AB42_35 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 217 306 +OD2_AB42_23 CB_AB42_35 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 217 305 +OD2_AB42_23 CG_AB42_35 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 217 306 OD2_AB42_23 SD_AB42_35 1 3.750240e-04 4.722634e-07 ; 3.286151e-01 7.445156e-02 5.542498e-04 1.290684e-03 0.000485 0.002166 True native_MD 7 217 307 OD2_AB42_23 CE_AB42_35 1 0.000000e+00 1.217784e-06 ; 2.863909e-01 -1.217784e-06 7.401800e-04 1.002048e-03 0.000485 0.000060 True native_MD 7 217 308 OD2_AB42_23 O_AB42_35 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 217 310 OD2_AB42_23 N_AB42_36 1 1.609078e-03 6.172167e-06 ; 3.956490e-01 1.048713e-01 1.377402e-03 1.554755e-04 0.000485 0.002166 True native_MD 7 217 311 OD2_AB42_23 H_AB42_36 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 217 312 OD2_AB42_23 CA_AB42_36 1 5.024258e-04 4.498232e-07 ; 3.104524e-01 1.402950e-01 3.976038e-03 5.275636e-04 0.000485 0.001339 True native_MD 7 217 313 -OD2_AB42_23 CB_AB42_36 1 0.000000e+00 3.347503e-06 ; 3.115696e-01 -3.347503e-06 5.671846e-03 1.297769e-03 0.000485 0.000060 True native_MD 7 217 314 +OD2_AB42_23 CB_AB42_36 1 0.000000e+00 3.347530e-06 ; 3.115698e-01 -3.347530e-06 5.671846e-03 1.297769e-03 0.000485 0.000060 True native_MD 7 217 314 OD2_AB42_23 CG1_AB42_36 1 0.000000e+00 1.213361e-06 ; 2.863041e-01 -1.213361e-06 4.719512e-03 1.348603e-03 0.000485 0.000060 True native_MD 7 217 315 -OD2_AB42_23 CG2_AB42_36 1 0.000000e+00 1.216049e-06 ; 2.863569e-01 -1.216049e-06 2.088335e-03 9.253480e-04 0.000485 0.000060 True native_MD 7 217 316 +OD2_AB42_23 CG2_AB42_36 1 0.000000e+00 1.216050e-06 ; 2.863569e-01 -1.216050e-06 2.088335e-03 9.253480e-04 0.000485 0.000060 True native_MD 7 217 316 OD2_AB42_23 C_AB42_36 1 5.544557e-04 5.873042e-07 ; 3.192758e-01 1.308611e-01 2.998070e-03 2.475824e-04 0.000485 0.002166 True native_MD 7 217 317 OD2_AB42_23 O_AB42_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 217 318 OD2_AB42_23 N_AB42_37 1 1.471873e-04 3.638195e-08 ; 2.505163e-01 1.488658e-01 5.138568e-03 7.168094e-04 0.000485 0.002166 True native_MD 7 217 319 @@ -43173,13 +43173,13 @@ OD2_AB42_23 H_AB42_38 1 4.249396e-06 6.386810e-11 ; 1.570940e-01 7.068226 OD2_AB42_23 CA_AB42_38 1 3.202219e-04 2.432353e-07 ; 3.020619e-01 1.053939e-01 1.399114e-03 7.751122e-04 0.000485 0.001584 True native_MD 7 217 326 OD2_AB42_23 O_AB42_38 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 217 328 OD2_AB42_23 H_AB42_39 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 217 330 -OD2_AB42_23 CB_AB42_39 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 217 332 +OD2_AB42_23 CB_AB42_39 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 217 332 OD2_AB42_23 CG1_AB42_39 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 217 333 OD2_AB42_23 CG2_AB42_39 1 0.000000e+00 1.217113e-06 ; 2.863777e-01 -1.217113e-06 6.032789e-04 3.140390e-04 0.000485 0.000060 True native_MD 7 217 334 OD2_AB42_23 O_AB42_39 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 217 336 OD2_AB42_23 H_AB42_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 217 338 OD2_AB42_23 CA_AB42_40 1 1.748616e-03 8.992966e-06 ; 4.154653e-01 8.500143e-02 7.600089e-04 2.098590e-04 0.000485 0.001339 True native_MD 7 217 339 -OD2_AB42_23 CB_AB42_40 1 0.000000e+00 3.352533e-06 ; 3.116086e-01 -3.352533e-06 3.408629e-03 5.307833e-04 0.000485 0.000060 True native_MD 7 217 340 +OD2_AB42_23 CB_AB42_40 1 0.000000e+00 3.352561e-06 ; 3.116088e-01 -3.352561e-06 3.408629e-03 5.307833e-04 0.000485 0.000060 True native_MD 7 217 340 OD2_AB42_23 CG1_AB42_40 1 3.082023e-04 3.251793e-07 ; 3.190665e-01 7.302792e-02 3.469372e-03 3.900600e-04 0.000485 0.000060 True native_MD 7 217 341 OD2_AB42_23 CG2_AB42_40 1 0.000000e+00 1.214115e-06 ; 2.863189e-01 -1.214115e-06 3.174422e-03 4.228401e-04 0.000485 0.000060 True native_MD 7 217 342 OD2_AB42_23 O_AB42_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 217 344 @@ -43196,23 +43196,23 @@ OD2_AB42_23 CA_AB42_42 1 1.051654e-03 2.514448e-06 ; 3.656747e-01 1.099622 OD2_AB42_23 CB_AB42_42 1 0.000000e+00 1.215872e-06 ; 2.863534e-01 -1.215872e-06 1.842106e-03 5.331689e-04 0.000485 0.000060 True native_MD 7 217 357 OD2_AB42_23 O1_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 217 359 OD2_AB42_23 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 217 360 - C_AB42_23 CB_AB42_24 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 218 223 - C_AB42_23 CG1_AB42_24 1 0.000000e+00 4.693060e-06 ; 3.204668e-01 -4.693060e-06 9.953386e-01 9.883443e-01 0.000485 0.000060 True native_MD 4 218 224 - C_AB42_23 CG2_AB42_24 1 0.000000e+00 4.720068e-06 ; 3.206201e-01 -4.720068e-06 9.992338e-01 9.979541e-01 0.000485 0.000060 True native_MD 4 218 225 - C_AB42_23 O_AB42_24 1 0.000000e+00 7.654866e-07 ; 2.755221e-01 -7.654866e-07 9.767197e-01 9.024023e-01 0.000485 0.000060 True native_MD 4 218 227 - C_AB42_23 N_AB42_25 1 0.000000e+00 1.469369e-06 ; 2.909082e-01 -1.469369e-06 9.958502e-01 9.701367e-01 0.000485 0.000060 True native_MD 4 218 228 - C_AB42_23 CA_AB42_25 1 0.000000e+00 4.830620e-06 ; 3.212392e-01 -4.830620e-06 8.650306e-01 6.276845e-01 0.000485 0.000060 True native_MD 5 218 230 - C_AB42_23 C_AB42_25 1 0.000000e+00 1.831630e-06 ; 2.962999e-01 -1.831630e-06 3.685193e-01 7.338012e-02 0.000485 0.000060 True native_MD 6 218 231 + C_AB42_23 CB_AB42_24 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 218 223 + C_AB42_23 CG1_AB42_24 1 0.000000e+00 4.692998e-06 ; 3.204664e-01 -4.692998e-06 9.953386e-01 9.883443e-01 0.000485 0.000060 True native_MD 4 218 224 + C_AB42_23 CG2_AB42_24 1 0.000000e+00 4.720006e-06 ; 3.206197e-01 -4.720006e-06 9.992338e-01 9.979541e-01 0.000485 0.000060 True native_MD 4 218 225 + C_AB42_23 O_AB42_24 1 0.000000e+00 7.654831e-07 ; 2.755220e-01 -7.654831e-07 9.767197e-01 9.024023e-01 0.000485 0.000060 True native_MD 4 218 227 + C_AB42_23 N_AB42_25 1 0.000000e+00 1.469348e-06 ; 2.909078e-01 -1.469348e-06 9.958502e-01 9.701367e-01 0.000485 0.000060 True native_MD 4 218 228 + C_AB42_23 CA_AB42_25 1 0.000000e+00 4.830539e-06 ; 3.212388e-01 -4.830539e-06 8.650306e-01 6.276845e-01 0.000485 0.000060 True native_MD 5 218 230 + C_AB42_23 C_AB42_25 1 0.000000e+00 1.831598e-06 ; 2.962994e-01 -1.831598e-06 3.685193e-01 7.338012e-02 0.000485 0.000060 True native_MD 6 218 231 C_AB42_23 O_AB42_25 1 1.051710e-03 1.937676e-06 ; 3.501312e-01 1.427089e-01 4.453139e-02 2.256900e-02 0.000485 0.002166 True native_MD 7 218 232 C_AB42_23 N_AB42_26 1 1.045727e-03 1.729708e-06 ; 3.438949e-01 1.580533e-01 5.773802e-01 1.848745e-01 0.000485 0.002166 True native_MD 7 218 233 C_AB42_23 CA_AB42_26 1 2.695983e-03 1.321758e-05 ; 4.121663e-01 1.374746e-01 6.006508e-01 2.200637e-01 0.000485 0.001339 True native_MD 7 218 235 - C_AB42_23 CB_AB42_26 1 0.000000e+00 4.331252e-06 ; 3.183314e-01 -4.331252e-06 5.411340e-01 2.249481e-01 0.000485 0.000060 True native_MD 7 218 236 + C_AB42_23 CB_AB42_26 1 0.000000e+00 4.331179e-06 ; 3.183309e-01 -4.331179e-06 5.411340e-01 2.249481e-01 0.000485 0.000060 True native_MD 7 218 236 C_AB42_23 OG_AB42_26 1 5.926620e-04 6.829256e-07 ; 3.237882e-01 1.285822e-01 1.464512e-01 1.132762e-01 0.000485 0.002166 True native_MD 7 218 237 C_AB42_23 C_AB42_26 1 4.093677e-03 1.929694e-05 ; 4.094767e-01 2.171095e-01 1.463422e-01 8.002866e-03 0.000485 0.002166 True native_MD 7 218 238 C_AB42_23 O_AB42_26 1 8.735915e-04 1.086450e-06 ; 3.279318e-01 1.756092e-01 5.944152e-02 1.125493e-02 0.000485 0.002166 True native_MD 7 218 239 C_AB42_23 N_AB42_27 1 1.854939e-03 4.302602e-06 ; 3.638315e-01 1.999255e-01 1.366102e-01 1.249394e-02 0.000485 0.002166 True native_MD 7 218 240 C_AB42_23 CA_AB42_27 1 4.074404e-03 2.412396e-05 ; 4.253346e-01 1.720361e-01 1.505213e-01 1.960380e-02 0.000485 0.001339 True native_MD 7 218 242 - C_AB42_23 CB_AB42_27 1 0.000000e+00 5.649629e-06 ; 3.254593e-01 -5.649629e-06 1.264913e-01 1.844956e-02 0.000485 0.000060 True native_MD 7 218 243 + C_AB42_23 CB_AB42_27 1 0.000000e+00 5.649534e-06 ; 3.254588e-01 -5.649534e-06 1.264913e-01 1.844956e-02 0.000485 0.000060 True native_MD 7 218 243 C_AB42_23 CG_AB42_27 1 3.176503e-03 1.239629e-05 ; 3.967867e-01 2.034917e-01 1.083353e-01 8.904953e-03 0.000485 0.002166 True native_MD 7 218 244 C_AB42_23 OD1_AB42_27 1 7.888980e-04 9.497373e-07 ; 3.261598e-01 1.638243e-01 3.222641e-02 8.682186e-03 0.000485 0.002166 True native_MD 7 218 245 C_AB42_23 ND2_AB42_27 1 9.011844e-04 1.129619e-06 ; 3.283621e-01 1.797362e-01 1.430146e-01 2.393302e-02 0.000485 0.002166 True native_MD 7 218 246 @@ -43220,10 +43220,10 @@ OD2_AB42_23 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 C_AB42_23 O_AB42_27 1 7.719174e-04 9.141382e-07 ; 3.252671e-01 1.629558e-01 9.717776e-03 2.687022e-03 0.000485 0.002166 True native_MD 7 218 248 C_AB42_23 N_AB42_28 1 1.160796e-03 1.948871e-06 ; 3.447502e-01 1.728499e-01 1.053308e-02 9.308786e-04 0.000485 0.002166 True native_MD 7 218 249 C_AB42_23 CA_AB42_28 1 3.266467e-03 1.513101e-05 ; 4.082864e-01 1.762904e-01 2.873208e-02 3.294705e-03 0.000485 0.001339 True native_MD 7 218 251 - C_AB42_23 CB_AB42_28 1 0.000000e+00 6.151439e-06 ; 3.277754e-01 -6.151439e-06 3.306044e-02 4.244050e-03 0.000485 0.000060 True native_MD 7 218 252 - C_AB42_23 CG_AB42_28 1 0.000000e+00 6.143098e-06 ; 3.277384e-01 -6.143098e-06 3.477331e-02 4.639973e-03 0.000485 0.000060 True native_MD 7 218 253 - C_AB42_23 CD_AB42_28 1 0.000000e+00 6.141006e-06 ; 3.277291e-01 -6.141006e-06 3.573076e-02 5.267258e-03 0.000485 0.000060 True native_MD 7 218 254 - C_AB42_23 CE_AB42_28 1 0.000000e+00 6.129789e-06 ; 3.276791e-01 -6.129789e-06 3.854733e-02 6.312895e-03 0.000485 0.000060 True native_MD 7 218 255 + C_AB42_23 CB_AB42_28 1 0.000000e+00 6.151336e-06 ; 3.277750e-01 -6.151336e-06 3.306044e-02 4.244050e-03 0.000485 0.000060 True native_MD 7 218 252 + C_AB42_23 CG_AB42_28 1 0.000000e+00 6.142995e-06 ; 3.277379e-01 -6.142995e-06 3.477331e-02 4.639973e-03 0.000485 0.000060 True native_MD 7 218 253 + C_AB42_23 CD_AB42_28 1 0.000000e+00 6.140903e-06 ; 3.277286e-01 -6.140903e-06 3.573076e-02 5.267258e-03 0.000485 0.000060 True native_MD 7 218 254 + C_AB42_23 CE_AB42_28 1 0.000000e+00 6.129686e-06 ; 3.276787e-01 -6.129686e-06 3.854733e-02 6.312895e-03 0.000485 0.000060 True native_MD 7 218 255 C_AB42_23 NZ_AB42_28 1 1.218534e-03 1.987542e-06 ; 3.430940e-01 1.867664e-01 2.336258e-02 3.167830e-03 0.000485 0.002166 True native_MD 7 218 256 C_AB42_23 C_AB42_28 1 2.312208e-03 8.382762e-06 ; 3.919464e-01 1.594434e-01 7.052059e-03 4.526526e-04 0.000485 0.002166 True native_MD 7 218 257 C_AB42_23 O_AB42_28 1 1.166074e-03 2.217476e-06 ; 3.519834e-01 1.532968e-01 5.867191e-03 7.059396e-04 0.000485 0.002166 True native_MD 7 218 258 @@ -43233,15 +43233,15 @@ OD2_AB42_23 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 C_AB42_23 O_AB42_29 1 9.988721e-04 1.808196e-06 ; 3.491049e-01 1.379476e-01 3.706319e-03 7.622117e-04 0.000485 0.002166 True native_MD 7 218 263 C_AB42_23 N_AB42_30 1 9.510018e-04 1.454229e-06 ; 3.394235e-01 1.554783e-01 6.263017e-03 2.430059e-04 0.000485 0.002166 True native_MD 7 218 264 C_AB42_23 CA_AB42_30 1 3.783195e-03 2.093498e-05 ; 4.205674e-01 1.709168e-01 2.127224e-02 2.864851e-03 0.000485 0.001339 True native_MD 7 218 266 - C_AB42_23 CB_AB42_30 1 0.000000e+00 4.597556e-06 ; 3.199182e-01 -4.597556e-06 3.223833e-02 5.036417e-03 0.000485 0.000060 True native_MD 7 218 267 + C_AB42_23 CB_AB42_30 1 0.000000e+00 4.597496e-06 ; 3.199178e-01 -4.597496e-06 3.223833e-02 5.036417e-03 0.000485 0.000060 True native_MD 7 218 267 C_AB42_23 C_AB42_30 1 2.627149e-03 1.390634e-05 ; 4.174662e-01 1.240785e-01 2.447318e-03 1.753355e-04 0.000485 0.002166 True native_MD 7 218 268 C_AB42_23 O_AB42_30 1 5.785268e-04 7.526787e-07 ; 3.304058e-01 1.111674e-01 1.662986e-03 4.083835e-04 0.000485 0.002166 True native_MD 7 218 269 C_AB42_23 N_AB42_31 1 9.408181e-04 1.729111e-06 ; 3.499878e-01 1.279760e-01 2.750074e-03 4.996690e-05 0.000485 0.002166 True native_MD 7 218 270 C_AB42_23 CA_AB42_31 1 3.700130e-03 2.142321e-05 ; 4.237515e-01 1.597678e-01 7.120864e-03 5.087007e-04 0.000485 0.001339 True native_MD 7 218 272 C_AB42_23 CB_AB42_31 1 1.098339e-03 3.737817e-06 ; 3.878349e-01 8.068539e-02 1.267452e-02 1.133158e-03 0.000485 0.000060 True native_MD 7 218 273 - C_AB42_23 CG1_AB42_31 1 0.000000e+00 6.275636e-06 ; 3.283219e-01 -6.275636e-06 1.104884e-02 1.840566e-03 0.000485 0.000060 True native_MD 7 218 274 - C_AB42_23 CG2_AB42_31 1 0.000000e+00 4.679198e-06 ; 3.203878e-01 -4.679198e-06 1.189979e-02 1.972497e-03 0.000485 0.000060 True native_MD 7 218 275 - C_AB42_23 CD_AB42_31 1 0.000000e+00 4.679619e-06 ; 3.203902e-01 -4.679619e-06 1.329658e-02 3.458408e-03 0.000485 0.000060 True native_MD 7 218 276 + C_AB42_23 CG1_AB42_31 1 0.000000e+00 6.275531e-06 ; 3.283214e-01 -6.275531e-06 1.104884e-02 1.840566e-03 0.000485 0.000060 True native_MD 7 218 274 + C_AB42_23 CG2_AB42_31 1 0.000000e+00 4.679137e-06 ; 3.203874e-01 -4.679137e-06 1.189979e-02 1.972497e-03 0.000485 0.000060 True native_MD 7 218 275 + C_AB42_23 CD_AB42_31 1 0.000000e+00 4.679558e-06 ; 3.203898e-01 -4.679558e-06 1.329658e-02 3.458408e-03 0.000485 0.000060 True native_MD 7 218 276 C_AB42_23 C_AB42_31 1 2.167930e-03 1.312534e-05 ; 4.269178e-01 8.951994e-02 8.700502e-04 1.618245e-05 0.000485 0.002166 True native_MD 7 218 277 C_AB42_23 N_AB42_32 1 1.319045e-03 3.723011e-06 ; 3.759290e-01 1.168328e-01 1.970246e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 218 279 C_AB42_23 CA_AB42_32 1 5.267816e-03 4.828619e-05 ; 4.574729e-01 1.436740e-01 4.399128e-03 3.217193e-04 0.000485 0.001339 True native_MD 7 218 281 @@ -43253,9 +43253,9 @@ OD2_AB42_23 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 C_AB42_23 CA_AB42_33 1 9.548026e-04 2.354581e-06 ; 3.675643e-01 9.679514e-02 1.081677e-03 6.294670e-04 0.000485 0.001584 True native_MD 7 218 290 C_AB42_23 CA_AB42_34 1 3.791809e-03 4.577315e-05 ; 4.789543e-01 7.852757e-02 6.261525e-04 1.102493e-04 0.000485 0.001339 True native_MD 7 218 295 C_AB42_23 CB_AB42_34 1 1.558725e-03 6.670007e-06 ; 4.029268e-01 9.106530e-02 9.112316e-04 5.067245e-05 0.000485 0.000060 True native_MD 7 218 296 - C_AB42_23 CG_AB42_34 1 0.000000e+00 1.298046e-05 ; 3.488209e-01 -1.298046e-05 6.487101e-03 1.016253e-03 0.000485 0.000060 True native_MD 7 218 297 + C_AB42_23 CG_AB42_34 1 0.000000e+00 1.298039e-05 ; 3.488208e-01 -1.298039e-05 6.487101e-03 1.016253e-03 0.000485 0.000060 True native_MD 7 218 297 C_AB42_23 CD1_AB42_34 1 7.359111e-04 1.781473e-06 ; 3.664311e-01 7.599962e-02 8.562740e-03 8.807874e-04 0.000485 0.000060 True native_MD 7 218 298 - C_AB42_23 CD2_AB42_34 1 0.000000e+00 4.707030e-06 ; 3.205462e-01 -4.707030e-06 4.992376e-03 9.539515e-04 0.000485 0.000060 True native_MD 7 218 299 + C_AB42_23 CD2_AB42_34 1 0.000000e+00 4.706968e-06 ; 3.205458e-01 -4.706968e-06 4.992376e-03 9.539515e-04 0.000485 0.000060 True native_MD 7 218 299 C_AB42_23 CA_AB42_35 1 2.380060e-03 1.467215e-05 ; 4.282042e-01 9.652108e-02 1.072842e-03 1.598631e-04 0.000485 0.001339 True native_MD 7 218 304 C_AB42_23 CB_AB42_35 1 1.244186e-03 5.137265e-06 ; 4.005356e-01 7.533185e-02 1.811888e-03 1.901378e-04 0.000485 0.000060 True native_MD 7 218 305 C_AB42_23 CG_AB42_35 1 1.122447e-03 4.401160e-06 ; 3.971003e-01 7.156568e-02 3.091768e-03 3.631547e-04 0.000485 0.000060 True native_MD 7 218 306 @@ -43302,14 +43302,14 @@ OD2_AB42_23 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 C_AB42_23 CB_AB42_42 1 5.660274e-04 8.969784e-07 ; 3.414476e-01 8.929617e-02 4.467555e-03 3.086863e-04 0.000485 0.000060 True native_MD 7 218 357 O_AB42_23 O_AB42_23 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 219 O_AB42_23 H_AB42_24 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 221 - O_AB42_23 CB_AB42_24 1 0.000000e+00 4.153496e-06 ; 3.172216e-01 -4.153496e-06 9.999997e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 219 223 + O_AB42_23 CB_AB42_24 1 0.000000e+00 4.153529e-06 ; 3.172219e-01 -4.153529e-06 9.999997e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 219 223 O_AB42_23 CG1_AB42_24 1 0.000000e+00 1.784178e-06 ; 2.956525e-01 -1.784178e-06 2.388295e-01 4.251248e-01 0.000485 0.000060 True native_MD 5 219 224 O_AB42_23 CG2_AB42_24 1 0.000000e+00 1.552484e-06 ; 2.922451e-01 -1.552484e-06 3.707505e-01 4.029928e-01 0.000485 0.000060 True native_MD 5 219 225 - O_AB42_23 C_AB42_24 1 0.000000e+00 8.239783e-07 ; 2.772179e-01 -8.239783e-07 9.999390e-01 9.963541e-01 0.000485 0.000060 True native_MD 4 219 226 + O_AB42_23 C_AB42_24 1 0.000000e+00 8.239745e-07 ; 2.772178e-01 -8.239745e-07 9.999390e-01 9.963541e-01 0.000485 0.000060 True native_MD 4 219 226 O_AB42_23 O_AB42_24 1 0.000000e+00 1.310574e-06 ; 2.881488e-01 -1.310574e-06 9.661676e-01 8.398838e-01 0.000485 0.000060 True native_MD 5 219 227 O_AB42_23 N_AB42_25 1 0.000000e+00 1.375547e-06 ; 2.893130e-01 -1.375547e-06 9.824889e-01 8.995200e-01 0.000485 0.000060 True native_MD 5 219 228 - O_AB42_23 H_AB42_25 1 0.000000e+00 1.336989e-08 ; 1.966402e-01 -1.336989e-08 2.710629e-01 1.327356e-01 0.000485 0.000060 True native_MD 6 219 229 - O_AB42_23 CA_AB42_25 1 0.000000e+00 1.179258e-06 ; 2.856247e-01 -1.179258e-06 7.281285e-01 3.131777e-01 0.000485 0.000060 True native_MD 6 219 230 + O_AB42_23 H_AB42_25 1 0.000000e+00 1.337010e-08 ; 1.966405e-01 -1.337010e-08 2.710629e-01 1.327356e-01 0.000485 0.000060 True native_MD 6 219 229 + O_AB42_23 CA_AB42_25 1 0.000000e+00 1.179254e-06 ; 2.856246e-01 -1.179254e-06 7.281285e-01 3.131777e-01 0.000485 0.000060 True native_MD 6 219 230 O_AB42_23 C_AB42_25 1 1.639391e-03 3.637212e-06 ; 3.611445e-01 1.847296e-01 4.689441e-01 6.758318e-02 0.000485 0.002166 True native_MD 7 219 231 O_AB42_23 O_AB42_25 1 0.000000e+00 1.411478e-06 ; 2.899353e-01 -1.411478e-06 1.051756e-01 4.616070e-02 0.000485 0.000060 True native_MD 7 219 232 O_AB42_23 N_AB42_26 1 2.127728e-04 7.715172e-08 ; 2.670371e-01 1.466988e-01 6.165985e-01 2.773321e-01 0.000485 0.002166 True native_MD 7 219 233 @@ -43433,15 +43433,15 @@ OD2_AB42_23 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 O_AB42_23 CB_AB42_42 1 3.532934e-04 2.371895e-07 ; 2.959102e-01 1.315575e-01 3.061208e-03 3.481341e-04 0.000485 0.001191 True native_MD 7 219 357 O_AB42_23 O1_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 359 O_AB42_23 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 360 - N_AB42_24 CB_AB42_24 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 223 - N_AB42_24 CG1_AB42_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 224 - N_AB42_24 CG2_AB42_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 225 - N_AB42_24 CA_AB42_25 1 0.000000e+00 3.565629e-06 ; 3.132129e-01 -3.565629e-06 9.937086e-01 9.636623e-01 0.000485 0.000060 True native_MD 4 220 230 - N_AB42_24 C_AB42_25 1 0.000000e+00 1.430315e-06 ; 2.902558e-01 -1.430315e-06 8.622563e-02 3.461664e-02 0.000485 0.000060 True native_MD 5 220 231 + N_AB42_24 CB_AB42_24 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 223 + N_AB42_24 CG1_AB42_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 224 + N_AB42_24 CG2_AB42_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 225 + N_AB42_24 CA_AB42_25 1 0.000000e+00 3.565582e-06 ; 3.132126e-01 -3.565582e-06 9.937086e-01 9.636623e-01 0.000485 0.000060 True native_MD 4 220 230 + N_AB42_24 C_AB42_25 1 0.000000e+00 1.430295e-06 ; 2.902555e-01 -1.430295e-06 8.622563e-02 3.461664e-02 0.000485 0.000060 True native_MD 5 220 231 N_AB42_24 O_AB42_25 1 0.000000e+00 1.483311e-06 ; 2.911372e-01 -1.483311e-06 5.433829e-02 4.321246e-02 0.000485 0.000060 True native_MD 6 220 232 - N_AB42_24 N_AB42_26 1 0.000000e+00 6.809878e-07 ; 2.728496e-01 -6.809878e-07 3.074364e-01 8.544681e-02 0.000485 0.000060 True native_MD 6 220 233 + N_AB42_24 N_AB42_26 1 0.000000e+00 6.809807e-07 ; 2.728493e-01 -6.809807e-07 3.074364e-01 8.544681e-02 0.000485 0.000060 True native_MD 6 220 233 N_AB42_24 CA_AB42_26 1 6.529386e-03 6.585854e-05 ; 4.648255e-01 1.618351e-01 2.481308e-01 4.385382e-02 0.000485 0.001339 True native_MD 7 220 235 - N_AB42_24 CB_AB42_26 1 0.000000e+00 3.352882e-06 ; 3.116113e-01 -3.352882e-06 1.220721e-01 3.415237e-02 0.000485 0.000060 True native_MD 7 220 236 + N_AB42_24 CB_AB42_26 1 0.000000e+00 3.352837e-06 ; 3.116109e-01 -3.352837e-06 1.220721e-01 3.415237e-02 0.000485 0.000060 True native_MD 7 220 236 N_AB42_24 OG_AB42_26 1 3.334301e-04 2.563763e-07 ; 3.026766e-01 1.084106e-01 1.271685e-02 1.798849e-02 0.000485 0.002166 True native_MD 7 220 237 N_AB42_24 O_AB42_26 1 7.667187e-04 9.646095e-07 ; 3.285634e-01 1.523564e-01 1.353056e-02 5.137880e-03 0.000485 0.002166 True native_MD 7 220 239 N_AB42_24 N_AB42_27 1 1.519640e-03 5.235045e-06 ; 3.886243e-01 1.102812e-01 5.242967e-03 1.933258e-04 0.000485 0.000060 True native_MD 7 220 240 @@ -43456,9 +43456,9 @@ OD2_AB42_23 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 N_AB42_24 CA_AB42_28 1 3.290391e-03 1.483145e-05 ; 4.064333e-01 1.824953e-01 1.405768e-02 6.016713e-04 0.000485 0.001339 True native_MD 7 220 251 N_AB42_24 CB_AB42_28 1 1.359684e-03 5.521300e-06 ; 3.994237e-01 8.370950e-02 1.418966e-02 1.158851e-03 0.000485 0.000060 True native_MD 7 220 252 N_AB42_24 CG_AB42_28 1 1.196333e-03 4.441599e-06 ; 3.935028e-01 8.055731e-02 1.683853e-02 1.511220e-03 0.000485 0.000060 True native_MD 7 220 253 - N_AB42_24 CD_AB42_28 1 0.000000e+00 3.633688e-06 ; 3.137068e-01 -3.633688e-06 1.378557e-02 2.253267e-03 0.000485 0.000060 True native_MD 7 220 254 - N_AB42_24 CE_AB42_28 1 0.000000e+00 3.626973e-06 ; 3.136585e-01 -3.626973e-06 1.624118e-02 2.882267e-03 0.000485 0.000060 True native_MD 7 220 255 - N_AB42_24 NZ_AB42_28 1 0.000000e+00 8.687375e-07 ; 2.784426e-01 -8.687375e-07 8.697360e-03 1.206747e-03 0.000485 0.000060 True native_MD 7 220 256 + N_AB42_24 CD_AB42_28 1 0.000000e+00 3.633640e-06 ; 3.137065e-01 -3.633640e-06 1.378557e-02 2.253267e-03 0.000485 0.000060 True native_MD 7 220 254 + N_AB42_24 CE_AB42_28 1 0.000000e+00 3.626925e-06 ; 3.136581e-01 -3.626925e-06 1.624118e-02 2.882267e-03 0.000485 0.000060 True native_MD 7 220 255 + N_AB42_24 NZ_AB42_28 1 0.000000e+00 8.687284e-07 ; 2.784424e-01 -8.687284e-07 8.697360e-03 1.206747e-03 0.000485 0.000060 True native_MD 7 220 256 N_AB42_24 C_AB42_28 1 7.311444e-04 1.288474e-06 ; 3.475458e-01 1.037220e-01 1.330832e-03 1.270648e-04 0.000485 0.002166 True native_MD 7 220 257 N_AB42_24 O_AB42_28 1 3.370641e-04 1.930002e-07 ; 2.881648e-01 1.471659e-01 4.883714e-03 5.642633e-04 0.000485 0.002166 True native_MD 7 220 258 N_AB42_24 N_AB42_29 1 4.499924e-04 5.626633e-07 ; 3.282267e-01 8.997086e-02 2.173598e-03 1.471831e-04 0.000485 0.000060 True native_MD 7 220 259 @@ -43473,9 +43473,9 @@ OD2_AB42_23 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 N_AB42_24 N_AB42_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.878539e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 220 270 N_AB42_24 CA_AB42_31 1 3.081444e-03 1.854421e-05 ; 4.264901e-01 1.280089e-01 2.752790e-03 1.010606e-04 0.000485 0.001339 True native_MD 7 220 272 N_AB42_24 CB_AB42_31 1 1.995837e-03 1.092165e-05 ; 4.197852e-01 9.118053e-02 6.519060e-03 4.257377e-04 0.000485 0.000060 True native_MD 7 220 273 - N_AB42_24 CG1_AB42_31 1 0.000000e+00 3.661829e-06 ; 3.139086e-01 -3.661829e-06 4.564060e-03 6.869034e-04 0.000485 0.000060 True native_MD 7 220 274 - N_AB42_24 CG2_AB42_31 1 0.000000e+00 2.730584e-06 ; 3.063254e-01 -2.730584e-06 5.670164e-03 1.170388e-03 0.000485 0.000060 True native_MD 7 220 275 - N_AB42_24 CD_AB42_31 1 0.000000e+00 2.729932e-06 ; 3.063193e-01 -2.729932e-06 7.159543e-03 2.422177e-03 0.000485 0.000060 True native_MD 7 220 276 + N_AB42_24 CG1_AB42_31 1 0.000000e+00 3.661781e-06 ; 3.139082e-01 -3.661781e-06 4.564060e-03 6.869034e-04 0.000485 0.000060 True native_MD 7 220 274 + N_AB42_24 CG2_AB42_31 1 0.000000e+00 2.730558e-06 ; 3.063251e-01 -2.730558e-06 5.670164e-03 1.170388e-03 0.000485 0.000060 True native_MD 7 220 275 + N_AB42_24 CD_AB42_31 1 0.000000e+00 2.729906e-06 ; 3.063190e-01 -2.729906e-06 7.159543e-03 2.422177e-03 0.000485 0.000060 True native_MD 7 220 276 N_AB42_24 N_AB42_32 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.376783e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 220 279 N_AB42_24 CA_AB42_32 1 3.235485e-03 2.332202e-05 ; 4.395124e-01 1.122154e-01 1.715970e-03 4.999897e-05 0.000485 0.001339 True native_MD 7 220 281 N_AB42_24 CB_AB42_32 1 2.561847e-03 1.043013e-05 ; 3.995975e-01 1.573101e-01 1.683198e-02 1.519245e-04 0.000485 0.000060 True native_MD 7 220 282 @@ -43486,7 +43486,7 @@ OD2_AB42_23 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 N_AB42_24 N_AB42_33 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 6.693725e-05 0.000000e+00 0.000485 0.000060 True native_MD 7 220 288 N_AB42_24 CA_AB42_33 1 1.016706e-03 2.707150e-06 ; 3.722941e-01 9.545934e-02 1.039290e-03 2.485022e-04 0.000485 0.001584 True native_MD 7 220 290 N_AB42_24 N_AB42_34 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 220 293 - N_AB42_24 CB_AB42_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 296 + N_AB42_24 CB_AB42_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 296 N_AB42_24 CG_AB42_34 1 3.919568e-03 3.513669e-05 ; 4.557784e-01 1.093089e-01 3.382177e-03 1.283941e-04 0.000485 0.000060 True native_MD 7 220 297 N_AB42_24 CD1_AB42_34 1 7.102750e-04 1.578292e-06 ; 3.612380e-01 7.991082e-02 6.592012e-03 6.031755e-04 0.000485 0.000060 True native_MD 7 220 298 N_AB42_24 CD2_AB42_34 1 9.390081e-04 2.564594e-06 ; 3.738737e-01 8.595281e-02 4.340753e-03 3.314859e-04 0.000485 0.000060 True native_MD 7 220 299 @@ -43537,7 +43537,7 @@ OD2_AB42_23 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 N_AB42_24 CA_AB42_42 1 6.002536e-03 4.170547e-05 ; 4.368272e-01 2.159815e-01 3.829327e-02 5.004382e-05 0.000485 0.001339 True native_MD 7 220 356 N_AB42_24 CB_AB42_42 1 1.130245e-03 2.565987e-06 ; 3.625325e-01 1.244603e-01 5.293676e-03 1.276993e-04 0.000485 0.000060 True native_MD 7 220 357 H_AB42_24 H_AB42_24 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 221 - H_AB42_24 O_AB42_24 1 0.000000e+00 1.741093e-08 ; 2.010158e-01 -1.741093e-08 3.085042e-01 4.306169e-01 0.000485 0.000060 True native_MD 4 221 227 + H_AB42_24 O_AB42_24 1 0.000000e+00 1.741120e-08 ; 2.010160e-01 -1.741120e-08 3.085042e-01 4.306169e-01 0.000485 0.000060 True native_MD 4 221 227 H_AB42_24 H_AB42_25 1 0.000000e+00 1.269057e-08 ; 1.957876e-01 -1.269057e-08 3.146753e-01 3.722231e-01 0.000485 0.000060 True native_MD 5 221 229 H_AB42_24 O_AB42_25 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 232 H_AB42_24 H_AB42_26 1 0.000000e+00 1.213266e-08 ; 1.950554e-01 -1.213266e-08 1.549905e-03 1.260477e-02 0.000485 0.000060 True native_MD 7 221 234 @@ -43577,10 +43577,10 @@ OD2_AB42_23 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 H_AB42_24 H_AB42_42 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 355 H_AB42_24 O1_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 359 H_AB42_24 O2_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 360 - CA_AB42_24 C_AB42_25 1 0.000000e+00 1.305180e-05 ; 3.489803e-01 -1.305180e-05 9.999982e-01 9.999936e-01 0.000485 0.000060 True native_MD 4 222 231 - CA_AB42_24 O_AB42_25 1 0.000000e+00 4.101718e-06 ; 3.168902e-01 -4.101718e-06 2.213237e-01 2.088579e-01 0.000485 0.000060 True native_MD 5 222 232 - CA_AB42_24 N_AB42_26 1 0.000000e+00 7.680232e-06 ; 3.338947e-01 -7.680232e-06 7.852705e-01 7.991632e-01 0.000485 0.000060 True native_MD 5 222 233 - CA_AB42_24 CA_AB42_26 1 0.000000e+00 6.574782e-05 ; 3.993176e-01 -6.574782e-05 7.854816e-01 7.884116e-01 0.000485 0.000060 True native_MD 6 222 235 + CA_AB42_24 C_AB42_25 1 0.000000e+00 1.305174e-05 ; 3.489801e-01 -1.305174e-05 9.999982e-01 9.999936e-01 0.000485 0.000060 True native_MD 4 222 231 + CA_AB42_24 O_AB42_25 1 0.000000e+00 4.101750e-06 ; 3.168904e-01 -4.101750e-06 2.213237e-01 2.088579e-01 0.000485 0.000060 True native_MD 5 222 232 + CA_AB42_24 N_AB42_26 1 0.000000e+00 7.680220e-06 ; 3.338947e-01 -7.680220e-06 7.852705e-01 7.991632e-01 0.000485 0.000060 True native_MD 5 222 233 + CA_AB42_24 CA_AB42_26 1 0.000000e+00 6.574830e-05 ; 3.993178e-01 -6.574830e-05 7.854816e-01 7.884116e-01 0.000485 0.000060 True native_MD 6 222 235 CA_AB42_24 CB_AB42_26 1 6.115171e-03 9.431005e-05 ; 4.989131e-01 9.912867e-02 5.702717e-01 5.019386e-01 0.000485 0.001021 True native_MD 7 222 236 CA_AB42_24 OG_AB42_26 1 2.132554e-03 1.384692e-05 ; 4.319255e-01 8.210828e-02 7.449759e-02 1.431049e-01 0.000485 0.001339 True native_MD 7 222 237 CA_AB42_24 C_AB42_26 1 7.258531e-03 9.099080e-05 ; 4.819753e-01 1.447571e-01 1.509649e-01 4.447884e-02 0.000485 0.001339 True native_MD 7 222 238 @@ -43690,43 +43690,43 @@ OD2_AB42_23 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 CA_AB42_24 C_AB42_42 1 2.682943e-03 1.597677e-05 ; 4.257418e-01 1.126351e-01 1.737658e-03 4.429889e-04 0.000485 0.001339 True native_MD 7 222 358 CA_AB42_24 O1_AB42_42 1 5.852186e-04 1.030061e-06 ; 3.474754e-01 8.312151e-02 7.184327e-04 4.507548e-04 0.000485 0.001339 True native_MD 7 222 359 CA_AB42_24 O2_AB42_42 1 5.852186e-04 1.030061e-06 ; 3.474754e-01 8.312151e-02 7.184327e-04 4.507548e-04 0.000485 0.001339 True native_MD 7 222 360 - CB_AB42_24 C_AB42_24 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 226 + CB_AB42_24 C_AB42_24 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 226 CB_AB42_24 O_AB42_24 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 227 - CB_AB42_24 N_AB42_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 228 - CB_AB42_24 CA_AB42_25 1 0.000000e+00 3.181383e-05 ; 3.758775e-01 -3.181383e-05 9.999944e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 223 230 - CB_AB42_24 C_AB42_25 1 0.000000e+00 1.348042e-05 ; 3.499212e-01 -1.348042e-05 5.210316e-01 5.538663e-01 0.000485 0.000060 True native_MD 5 223 231 - CB_AB42_24 O_AB42_25 1 0.000000e+00 4.182886e-06 ; 3.174081e-01 -4.182886e-06 8.839767e-02 9.547408e-02 0.000485 0.000060 True native_MD 6 223 232 - CB_AB42_24 N_AB42_26 1 0.000000e+00 9.011192e-06 ; 3.383713e-01 -9.011192e-06 1.505412e-01 3.401383e-01 0.000485 0.000060 True native_MD 6 223 233 - CB_AB42_24 CA_AB42_26 1 0.000000e+00 7.793535e-05 ; 4.050166e-01 -7.793535e-05 1.368201e-01 3.256611e-01 0.000485 0.000883 True native_MD 7 223 235 - CB_AB42_24 CB_AB42_26 1 0.000000e+00 3.708889e-05 ; 3.807138e-01 -3.708889e-05 8.249832e-02 2.483152e-01 0.000485 0.001021 True native_MD 7 223 236 - CB_AB42_24 OG_AB42_26 1 0.000000e+00 6.130075e-06 ; 3.276804e-01 -6.130075e-06 4.063146e-02 1.093823e-01 0.000485 0.000060 True native_MD 7 223 237 - CB_AB42_24 C_AB42_26 1 0.000000e+00 1.314466e-05 ; 3.491865e-01 -1.314466e-05 6.109847e-02 6.820817e-02 0.000485 0.000060 True native_MD 7 223 238 + CB_AB42_24 N_AB42_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 228 + CB_AB42_24 CA_AB42_25 1 0.000000e+00 3.181370e-05 ; 3.758774e-01 -3.181370e-05 9.999944e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 223 230 + CB_AB42_24 C_AB42_25 1 0.000000e+00 1.348035e-05 ; 3.499211e-01 -1.348035e-05 5.210316e-01 5.538663e-01 0.000485 0.000060 True native_MD 5 223 231 + CB_AB42_24 O_AB42_25 1 0.000000e+00 4.182920e-06 ; 3.174083e-01 -4.182920e-06 8.839767e-02 9.547408e-02 0.000485 0.000060 True native_MD 6 223 232 + CB_AB42_24 N_AB42_26 1 0.000000e+00 9.011178e-06 ; 3.383713e-01 -9.011178e-06 1.505412e-01 3.401383e-01 0.000485 0.000060 True native_MD 6 223 233 + CB_AB42_24 CA_AB42_26 1 0.000000e+00 7.793592e-05 ; 4.050169e-01 -7.793592e-05 1.368201e-01 3.256611e-01 0.000485 0.000883 True native_MD 7 223 235 + CB_AB42_24 CB_AB42_26 1 0.000000e+00 3.708874e-05 ; 3.807137e-01 -3.708874e-05 8.249832e-02 2.483152e-01 0.000485 0.001021 True native_MD 7 223 236 + CB_AB42_24 OG_AB42_26 1 0.000000e+00 6.130054e-06 ; 3.276803e-01 -6.130054e-06 4.063146e-02 1.093823e-01 0.000485 0.000060 True native_MD 7 223 237 + CB_AB42_24 C_AB42_26 1 0.000000e+00 1.314459e-05 ; 3.491864e-01 -1.314459e-05 6.109847e-02 6.820817e-02 0.000485 0.000060 True native_MD 7 223 238 CB_AB42_24 O_AB42_26 1 5.817607e-04 8.699339e-07 ; 3.381611e-01 9.726184e-02 5.258457e-02 5.707502e-02 0.000485 0.001191 True native_MD 7 223 239 - CB_AB42_24 N_AB42_27 1 0.000000e+00 7.677630e-06 ; 3.338853e-01 -7.677630e-06 3.829792e-02 5.184713e-02 0.000485 0.000060 True native_MD 7 223 240 + CB_AB42_24 N_AB42_27 1 0.000000e+00 7.677618e-06 ; 3.338852e-01 -7.677618e-06 3.829792e-02 5.184713e-02 0.000485 0.000060 True native_MD 7 223 240 CB_AB42_24 CA_AB42_27 1 5.499336e-03 7.712195e-05 ; 4.910714e-01 9.803529e-02 1.231345e-01 9.681425e-02 0.000485 0.000883 True native_MD 7 223 242 CB_AB42_24 CB_AB42_27 1 3.329438e-03 2.436820e-05 ; 4.406314e-01 1.137256e-01 1.198635e-01 6.816225e-02 0.000485 0.001021 True native_MD 7 223 243 - CB_AB42_24 CG_AB42_27 1 0.000000e+00 1.290355e-05 ; 3.486482e-01 -1.290355e-05 4.923809e-02 3.787438e-02 0.000485 0.000060 True native_MD 7 223 244 + CB_AB42_24 CG_AB42_27 1 0.000000e+00 1.290348e-05 ; 3.486480e-01 -1.290348e-05 4.923809e-02 3.787438e-02 0.000485 0.000060 True native_MD 7 223 244 CB_AB42_24 OD1_AB42_27 1 6.379774e-04 1.022702e-06 ; 3.421033e-01 9.949506e-02 3.437240e-02 3.489580e-02 0.000485 0.001191 True native_MD 7 223 245 - CB_AB42_24 ND2_AB42_27 1 0.000000e+00 1.264208e-05 ; 3.480539e-01 -1.264208e-05 8.215638e-02 5.121048e-02 0.000485 0.000060 True native_MD 7 223 246 - CB_AB42_24 C_AB42_27 1 0.000000e+00 1.292788e-05 ; 3.487029e-01 -1.292788e-05 2.339960e-02 1.389986e-02 0.000485 0.000060 True native_MD 7 223 247 + CB_AB42_24 ND2_AB42_27 1 0.000000e+00 1.264216e-05 ; 3.480541e-01 -1.264216e-05 8.215638e-02 5.121048e-02 0.000485 0.000060 True native_MD 7 223 246 + CB_AB42_24 C_AB42_27 1 0.000000e+00 1.292781e-05 ; 3.487028e-01 -1.292781e-05 2.339960e-02 1.389986e-02 0.000485 0.000060 True native_MD 7 223 247 CB_AB42_24 O_AB42_27 1 7.020575e-04 1.178234e-06 ; 3.447279e-01 1.045813e-01 1.878439e-02 1.637783e-02 0.000485 0.001191 True native_MD 7 223 248 - CB_AB42_24 N_AB42_28 1 0.000000e+00 7.380272e-06 ; 3.327880e-01 -7.380272e-06 3.308262e-02 7.376574e-03 0.000485 0.000060 True native_MD 7 223 249 + CB_AB42_24 N_AB42_28 1 0.000000e+00 7.380260e-06 ; 3.327880e-01 -7.380260e-06 3.308262e-02 7.376574e-03 0.000485 0.000060 True native_MD 7 223 249 CB_AB42_24 CA_AB42_28 1 2.515763e-03 1.198407e-05 ; 4.101938e-01 1.320307e-01 1.057250e-01 3.005451e-02 0.000485 0.000883 True native_MD 7 223 251 CB_AB42_24 CB_AB42_28 1 2.804817e-03 1.512671e-05 ; 4.187678e-01 1.300183e-01 8.430315e-02 2.944081e-02 0.000485 0.001021 True native_MD 7 223 252 CB_AB42_24 CG_AB42_28 1 2.481336e-03 1.176841e-05 ; 4.098945e-01 1.307956e-01 1.061898e-01 3.623157e-02 0.000485 0.001021 True native_MD 7 223 253 CB_AB42_24 CD_AB42_28 1 3.078607e-03 1.923189e-05 ; 4.291521e-01 1.232045e-01 8.999571e-02 3.853765e-02 0.000485 0.001021 True native_MD 7 223 254 CB_AB42_24 CE_AB42_28 1 3.113996e-03 2.029799e-05 ; 4.322044e-01 1.194327e-01 8.267489e-02 3.963309e-02 0.000485 0.001021 True native_MD 7 223 255 - CB_AB42_24 NZ_AB42_28 1 0.000000e+00 7.493423e-06 ; 3.332103e-01 -7.493423e-06 2.941118e-02 1.864263e-02 0.000485 0.000060 True native_MD 7 223 256 + CB_AB42_24 NZ_AB42_28 1 0.000000e+00 7.493411e-06 ; 3.332102e-01 -7.493411e-06 2.941118e-02 1.864263e-02 0.000485 0.000060 True native_MD 7 223 256 CB_AB42_24 C_AB42_28 1 1.310221e-03 5.711940e-06 ; 4.041785e-01 7.513554e-02 5.313137e-02 5.608406e-03 0.000485 0.000060 True native_MD 7 223 257 CB_AB42_24 O_AB42_28 1 8.321101e-04 1.067380e-06 ; 3.296272e-01 1.621745e-01 2.919165e-02 4.541482e-03 0.000485 0.001191 True native_MD 7 223 258 - CB_AB42_24 N_AB42_29 1 0.000000e+00 7.291017e-06 ; 3.324508e-01 -7.291017e-06 4.278828e-02 5.299491e-03 0.000485 0.000060 True native_MD 7 223 259 + CB_AB42_24 N_AB42_29 1 0.000000e+00 7.291006e-06 ; 3.324507e-01 -7.291006e-06 4.278828e-02 5.299491e-03 0.000485 0.000060 True native_MD 7 223 259 CB_AB42_24 CA_AB42_29 1 2.222778e-03 9.405078e-06 ; 4.021713e-01 1.313318e-01 6.127422e-02 2.057377e-02 0.000485 0.001021 True native_MD 7 223 261 - CB_AB42_24 C_AB42_29 1 0.000000e+00 1.260293e-05 ; 3.479640e-01 -1.260293e-05 4.250746e-02 8.111384e-03 0.000485 0.000060 True native_MD 7 223 262 + CB_AB42_24 C_AB42_29 1 0.000000e+00 1.260287e-05 ; 3.479638e-01 -1.260287e-05 4.250746e-02 8.111384e-03 0.000485 0.000060 True native_MD 7 223 262 CB_AB42_24 O_AB42_29 1 8.560216e-04 1.178748e-06 ; 3.335462e-01 1.554134e-01 3.613247e-02 6.881913e-03 0.000485 0.001191 True native_MD 7 223 263 - CB_AB42_24 N_AB42_30 1 0.000000e+00 7.409589e-06 ; 3.328980e-01 -7.409589e-06 2.551799e-02 3.682271e-03 0.000485 0.000060 True native_MD 7 223 264 + CB_AB42_24 N_AB42_30 1 0.000000e+00 7.409578e-06 ; 3.328980e-01 -7.409578e-06 2.551799e-02 3.682271e-03 0.000485 0.000060 True native_MD 7 223 264 CB_AB42_24 CA_AB42_30 1 4.175241e-03 3.530725e-05 ; 4.513676e-01 1.234353e-01 6.781766e-02 2.493372e-02 0.000485 0.000883 True native_MD 7 223 266 CB_AB42_24 CB_AB42_30 1 2.393056e-03 9.744355e-06 ; 3.996073e-01 1.469239e-01 6.864603e-02 2.736037e-02 0.000485 0.001932 True native_MD 7 223 267 - CB_AB42_24 C_AB42_30 1 0.000000e+00 1.281826e-05 ; 3.484556e-01 -1.281826e-05 2.140492e-02 3.506466e-03 0.000485 0.000060 True native_MD 7 223 268 + CB_AB42_24 C_AB42_30 1 0.000000e+00 1.281819e-05 ; 3.484554e-01 -1.281819e-05 2.140492e-02 3.506466e-03 0.000485 0.000060 True native_MD 7 223 268 CB_AB42_24 O_AB42_30 1 1.019127e-03 1.718836e-06 ; 3.450121e-01 1.510645e-01 1.932148e-02 4.191534e-03 0.000485 0.001191 True native_MD 7 223 269 CB_AB42_24 N_AB42_31 1 1.010975e-03 3.178375e-06 ; 3.827461e-01 8.039248e-02 9.706127e-03 8.754104e-04 0.000485 0.000060 True native_MD 7 223 270 CB_AB42_24 CA_AB42_31 1 3.966081e-03 2.820178e-05 ; 4.385164e-01 1.394398e-01 2.977950e-02 6.781983e-03 0.000485 0.000883 True native_MD 7 223 272 @@ -43734,7 +43734,7 @@ OD2_AB42_23 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 CB_AB42_24 CG1_AB42_31 1 2.239945e-03 1.001477e-05 ; 4.058828e-01 1.252488e-01 3.296414e-02 1.327809e-02 0.000485 0.001021 True native_MD 7 223 274 CB_AB42_24 CG2_AB42_31 1 2.159566e-03 8.054765e-06 ; 3.938049e-01 1.447505e-01 3.043062e-02 1.294387e-02 0.000485 0.001932 True native_MD 7 223 275 CB_AB42_24 CD_AB42_31 1 1.770063e-03 5.806300e-06 ; 3.854651e-01 1.349019e-01 3.404698e-02 1.944604e-02 0.000485 0.001932 True native_MD 7 223 276 - CB_AB42_24 C_AB42_31 1 0.000000e+00 1.295188e-05 ; 3.487569e-01 -1.295188e-05 9.183184e-03 1.522948e-03 0.000485 0.000060 True native_MD 7 223 277 + CB_AB42_24 C_AB42_31 1 0.000000e+00 1.295182e-05 ; 3.487567e-01 -1.295182e-05 9.183184e-03 1.522948e-03 0.000485 0.000060 True native_MD 7 223 277 CB_AB42_24 O_AB42_31 1 9.803659e-04 1.814962e-06 ; 3.504127e-01 1.323881e-01 4.846347e-03 1.838562e-03 0.000485 0.001191 True native_MD 7 223 278 CB_AB42_24 N_AB42_32 1 2.024655e-03 1.165445e-05 ; 4.233408e-01 8.793263e-02 9.066000e-03 6.525062e-04 0.000485 0.000060 True native_MD 7 223 279 CB_AB42_24 CA_AB42_32 1 7.262793e-03 7.686621e-05 ; 4.685673e-01 1.715583e-01 5.679508e-02 4.946701e-03 0.000485 0.000883 True native_MD 7 223 281 @@ -43756,11 +43756,11 @@ OD2_AB42_23 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 CB_AB42_24 CD2_AB42_34 1 2.277635e-03 7.725325e-06 ; 3.876193e-01 1.678771e-01 2.414058e-02 5.139638e-03 0.000485 0.001932 True native_MD 7 223 299 CB_AB42_24 C_AB42_34 1 2.454861e-03 1.835709e-05 ; 4.422109e-01 8.207106e-02 8.373537e-03 7.182221e-04 0.000485 0.000060 True native_MD 7 223 300 CB_AB42_24 O_AB42_34 1 1.782411e-03 4.930979e-06 ; 3.746746e-01 1.610729e-01 7.404466e-03 1.006915e-03 0.000485 0.001191 True native_MD 7 223 301 - CB_AB42_24 N_AB42_35 1 0.000000e+00 7.569605e-06 ; 3.334912e-01 -7.569605e-06 1.072630e-03 3.611675e-04 0.000485 0.000060 True native_MD 7 223 302 + CB_AB42_24 N_AB42_35 1 0.000000e+00 7.569594e-06 ; 3.334912e-01 -7.569594e-06 1.072630e-03 3.611675e-04 0.000485 0.000060 True native_MD 7 223 302 CB_AB42_24 CA_AB42_35 1 6.427042e-03 7.410313e-05 ; 4.753034e-01 1.393560e-01 1.070229e-02 2.443455e-03 0.000485 0.000883 True native_MD 7 223 304 CB_AB42_24 CB_AB42_35 1 3.086728e-03 1.538127e-05 ; 4.132844e-01 1.548619e-01 1.537630e-02 2.553139e-03 0.000485 0.001021 True native_MD 7 223 305 CB_AB42_24 CG_AB42_35 1 3.228323e-03 1.691359e-05 ; 4.167508e-01 1.540487e-01 1.715214e-02 2.918165e-03 0.000485 0.001021 True native_MD 7 223 306 - CB_AB42_24 SD_AB42_35 1 0.000000e+00 1.316547e-05 ; 3.492325e-01 -1.316547e-05 1.813045e-02 3.328558e-03 0.000485 0.000060 True native_MD 7 223 307 + CB_AB42_24 SD_AB42_35 1 0.000000e+00 1.316560e-05 ; 3.492328e-01 -1.316560e-05 1.813045e-02 3.328558e-03 0.000485 0.000060 True native_MD 7 223 307 CB_AB42_24 CE_AB42_35 1 2.496601e-03 9.343993e-06 ; 3.940311e-01 1.667654e-01 2.426172e-02 5.340167e-03 0.000485 0.001932 True native_MD 7 223 308 CB_AB42_24 C_AB42_35 1 2.199766e-03 1.514752e-05 ; 4.361751e-01 7.986403e-02 4.754647e-03 4.356645e-04 0.000485 0.000060 True native_MD 7 223 309 CB_AB42_24 O_AB42_35 1 1.563089e-03 4.312462e-06 ; 3.745044e-01 1.416387e-01 4.139179e-03 7.189820e-04 0.000485 0.001191 True native_MD 7 223 310 @@ -43773,11 +43773,11 @@ OD2_AB42_23 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 CB_AB42_24 O_AB42_36 1 2.123435e-03 8.065480e-06 ; 3.950013e-01 1.397615e-01 3.913065e-03 9.596570e-04 0.000485 0.001191 True native_MD 7 223 318 CB_AB42_24 N_AB42_37 1 1.788009e-03 7.881868e-06 ; 4.049268e-01 1.014029e-01 9.798777e-03 4.712723e-04 0.000485 0.000060 True native_MD 7 223 319 CB_AB42_24 CA_AB42_37 1 2.141067e-03 6.927520e-06 ; 3.845840e-01 1.654332e-01 2.163349e-02 2.617929e-03 0.000485 0.001021 True native_MD 7 223 321 - CB_AB42_24 C_AB42_37 1 0.000000e+00 1.292157e-05 ; 3.486888e-01 -1.292157e-05 1.138785e-02 1.405355e-03 0.000485 0.000060 True native_MD 7 223 322 + CB_AB42_24 C_AB42_37 1 0.000000e+00 1.292151e-05 ; 3.486886e-01 -1.292151e-05 1.138785e-02 1.405355e-03 0.000485 0.000060 True native_MD 7 223 322 CB_AB42_24 O_AB42_37 1 8.504104e-04 1.373989e-06 ; 3.425514e-01 1.315872e-01 4.560048e-03 1.771910e-03 0.000485 0.001191 True native_MD 7 223 323 CB_AB42_24 N_AB42_38 1 1.325967e-03 5.078300e-06 ; 3.955466e-01 8.655397e-02 8.389087e-03 6.292187e-04 0.000485 0.000060 True native_MD 7 223 324 CB_AB42_24 CA_AB42_38 1 2.887594e-03 1.458662e-05 ; 4.142251e-01 1.429083e-01 1.097713e-02 2.606566e-03 0.000485 0.001021 True native_MD 7 223 326 - CB_AB42_24 C_AB42_38 1 0.000000e+00 1.297038e-05 ; 3.487983e-01 -1.297038e-05 7.490307e-03 1.247197e-03 0.000485 0.000060 True native_MD 7 223 327 + CB_AB42_24 C_AB42_38 1 0.000000e+00 1.297031e-05 ; 3.487982e-01 -1.297031e-05 7.490307e-03 1.247197e-03 0.000485 0.000060 True native_MD 7 223 327 CB_AB42_24 O_AB42_38 1 1.087725e-03 1.851623e-06 ; 3.455458e-01 1.597445e-01 7.115892e-03 1.127411e-03 0.000485 0.001191 True native_MD 7 223 328 CB_AB42_24 N_AB42_39 1 2.238941e-03 1.356036e-05 ; 4.269445e-01 9.241748e-02 3.653719e-03 2.299408e-04 0.000485 0.000060 True native_MD 7 223 329 CB_AB42_24 CA_AB42_39 1 7.225397e-03 8.598723e-05 ; 4.778175e-01 1.517852e-01 1.172573e-02 1.845566e-03 0.000485 0.000883 True native_MD 7 223 331 @@ -43805,53 +43805,53 @@ OD2_AB42_23 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000 CB_AB42_24 CA_AB42_42 1 3.222707e-03 1.162933e-05 ; 3.916417e-01 2.232683e-01 9.928172e-02 1.840000e-03 0.000485 0.000883 True native_MD 7 223 356 CB_AB42_24 CB_AB42_42 1 2.741189e-03 7.651933e-06 ; 3.752367e-01 2.454974e-01 9.262570e-02 1.842040e-03 0.000485 0.001932 True native_MD 7 223 357 CB_AB42_24 C_AB42_42 1 4.229144e-03 3.921422e-05 ; 4.583514e-01 1.140253e-01 2.507582e-02 8.266201e-04 0.000485 0.000060 True native_MD 7 223 358 - CB_AB42_24 O1_AB42_42 1 0.000000e+00 3.351924e-06 ; 3.116039e-01 -3.351924e-06 3.621335e-03 5.623603e-04 0.000485 0.000060 True native_MD 7 223 359 - CB_AB42_24 O2_AB42_42 1 0.000000e+00 3.351924e-06 ; 3.116039e-01 -3.351924e-06 3.621335e-03 5.623603e-04 0.000485 0.000060 True native_MD 7 223 360 -CG1_AB42_24 C_AB42_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 226 + CB_AB42_24 O1_AB42_42 1 0.000000e+00 3.351952e-06 ; 3.116041e-01 -3.351952e-06 3.621335e-03 5.623603e-04 0.000485 0.000060 True native_MD 7 223 359 + CB_AB42_24 O2_AB42_42 1 0.000000e+00 3.351952e-06 ; 3.116041e-01 -3.351952e-06 3.621335e-03 5.623603e-04 0.000485 0.000060 True native_MD 7 223 360 +CG1_AB42_24 C_AB42_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 226 CG1_AB42_24 O_AB42_24 1 0.000000e+00 1.387323e-06 ; 2.895186e-01 -1.387323e-06 9.600117e-01 8.824393e-01 0.000485 0.000060 True native_MD 4 224 227 -CG1_AB42_24 N_AB42_25 1 0.000000e+00 2.677053e-06 ; 3.058204e-01 -2.677053e-06 9.928082e-01 9.687925e-01 0.000485 0.000060 True native_MD 4 224 228 -CG1_AB42_24 CA_AB42_25 1 0.000000e+00 9.805803e-06 ; 3.407626e-01 -9.805803e-06 6.967135e-01 5.479257e-01 0.000485 0.000060 True native_MD 5 224 230 -CG1_AB42_24 C_AB42_25 1 0.000000e+00 4.875830e-06 ; 3.214887e-01 -4.875830e-06 1.321906e-01 1.638687e-01 0.000485 0.000060 True native_MD 6 224 231 +CG1_AB42_24 N_AB42_25 1 0.000000e+00 2.677028e-06 ; 3.058201e-01 -2.677028e-06 9.928082e-01 9.687925e-01 0.000485 0.000060 True native_MD 4 224 228 +CG1_AB42_24 CA_AB42_25 1 0.000000e+00 9.805684e-06 ; 3.407623e-01 -9.805684e-06 6.967135e-01 5.479257e-01 0.000485 0.000060 True native_MD 5 224 230 +CG1_AB42_24 C_AB42_25 1 0.000000e+00 4.875766e-06 ; 3.214884e-01 -4.875766e-06 1.321906e-01 1.638687e-01 0.000485 0.000060 True native_MD 6 224 231 CG1_AB42_24 O_AB42_25 1 4.752894e-04 5.113461e-07 ; 3.201053e-01 1.104438e-01 6.192620e-02 4.530433e-02 0.000485 0.001191 True native_MD 7 224 232 -CG1_AB42_24 N_AB42_26 1 0.000000e+00 2.940239e-06 ; 3.082196e-01 -2.940239e-06 8.014214e-02 1.520773e-01 0.000485 0.000060 True native_MD 7 224 233 +CG1_AB42_24 N_AB42_26 1 0.000000e+00 2.940211e-06 ; 3.082193e-01 -2.940211e-06 8.014214e-02 1.520773e-01 0.000485 0.000060 True native_MD 7 224 233 CG1_AB42_24 CA_AB42_26 1 1.589837e-03 6.731524e-06 ; 4.022167e-01 9.387112e-02 8.649080e-02 1.686498e-01 0.000485 0.001932 True native_MD 7 224 235 CG1_AB42_24 CB_AB42_26 1 9.434878e-04 2.367750e-06 ; 3.686379e-01 9.398893e-02 6.272448e-02 1.470740e-01 0.000485 0.002332 True native_MD 7 224 236 -CG1_AB42_24 OG_AB42_26 1 0.000000e+00 2.168209e-06 ; 3.004947e-01 -2.168209e-06 3.353274e-02 7.748343e-02 0.000485 0.000060 True native_MD 7 224 237 -CG1_AB42_24 C_AB42_26 1 0.000000e+00 4.715744e-06 ; 3.205956e-01 -4.715744e-06 5.557585e-02 5.338121e-02 0.000485 0.000060 True native_MD 7 224 238 +CG1_AB42_24 OG_AB42_26 1 0.000000e+00 2.168184e-06 ; 3.004944e-01 -2.168184e-06 3.353274e-02 7.748343e-02 0.000485 0.000060 True native_MD 7 224 237 +CG1_AB42_24 C_AB42_26 1 0.000000e+00 4.715682e-06 ; 3.205952e-01 -4.715682e-06 5.557585e-02 5.338121e-02 0.000485 0.000060 True native_MD 7 224 238 CG1_AB42_24 O_AB42_26 1 2.737789e-04 1.779745e-07 ; 2.943244e-01 1.052888e-01 4.431790e-02 3.783055e-02 0.000485 0.001191 True native_MD 7 224 239 -CG1_AB42_24 N_AB42_27 1 0.000000e+00 2.758040e-06 ; 3.065809e-01 -2.758040e-06 3.093399e-02 3.644394e-02 0.000485 0.000060 True native_MD 7 224 240 +CG1_AB42_24 N_AB42_27 1 0.000000e+00 2.758013e-06 ; 3.065806e-01 -2.758013e-06 3.093399e-02 3.644394e-02 0.000485 0.000060 True native_MD 7 224 240 CG1_AB42_24 CA_AB42_27 1 1.962464e-03 8.600316e-06 ; 4.045313e-01 1.119513e-01 4.973735e-02 5.645680e-02 0.000485 0.001932 True native_MD 7 224 242 CG1_AB42_24 CB_AB42_27 1 1.941894e-03 7.417654e-06 ; 3.953728e-01 1.270939e-01 4.739810e-02 4.126727e-02 0.000485 0.002332 True native_MD 7 224 243 -CG1_AB42_24 CG_AB42_27 1 0.000000e+00 4.731024e-06 ; 3.206820e-01 -4.731024e-06 2.781563e-02 2.885424e-02 0.000485 0.000060 True native_MD 7 224 244 +CG1_AB42_24 CG_AB42_27 1 0.000000e+00 4.730962e-06 ; 3.206817e-01 -4.730962e-06 2.781563e-02 2.885424e-02 0.000485 0.000060 True native_MD 7 224 244 CG1_AB42_24 OD1_AB42_27 1 3.359693e-04 2.836536e-07 ; 3.074313e-01 9.948345e-02 2.362372e-02 2.399173e-02 0.000485 0.001191 True native_MD 7 224 245 -CG1_AB42_24 ND2_AB42_27 1 0.000000e+00 4.716039e-06 ; 3.205972e-01 -4.716039e-06 3.465121e-02 3.298332e-02 0.000485 0.000060 True native_MD 7 224 246 -CG1_AB42_24 C_AB42_27 1 0.000000e+00 4.694996e-06 ; 3.204778e-01 -4.694996e-06 1.867854e-02 1.209390e-02 0.000485 0.000060 True native_MD 7 224 247 +CG1_AB42_24 ND2_AB42_27 1 0.000000e+00 4.716030e-06 ; 3.205972e-01 -4.716030e-06 3.465121e-02 3.298332e-02 0.000485 0.000060 True native_MD 7 224 246 +CG1_AB42_24 C_AB42_27 1 0.000000e+00 4.694935e-06 ; 3.204774e-01 -4.694935e-06 1.867854e-02 1.209390e-02 0.000485 0.000060 True native_MD 7 224 247 CG1_AB42_24 O_AB42_27 1 3.268453e-04 2.465928e-07 ; 3.017216e-01 1.083039e-01 1.482362e-02 1.156194e-02 0.000485 0.001191 True native_MD 7 224 248 -CG1_AB42_24 N_AB42_28 1 0.000000e+00 2.665906e-06 ; 3.057141e-01 -2.665906e-06 3.533215e-02 7.252773e-03 0.000485 0.000060 True native_MD 7 224 249 +CG1_AB42_24 N_AB42_28 1 0.000000e+00 2.665881e-06 ; 3.057138e-01 -2.665881e-06 3.533215e-02 7.252773e-03 0.000485 0.000060 True native_MD 7 224 249 CG1_AB42_24 CA_AB42_28 1 1.430978e-03 3.172847e-06 ; 3.611071e-01 1.613455e-01 8.142967e-02 2.107930e-02 0.000485 0.001932 True native_MD 7 224 251 CG1_AB42_24 CB_AB42_28 1 1.921256e-03 5.584338e-06 ; 3.777731e-01 1.652490e-01 7.338196e-02 2.039597e-02 0.000485 0.002332 True native_MD 7 224 252 CG1_AB42_24 CG_AB42_28 1 1.848181e-03 5.258847e-06 ; 3.764359e-01 1.623822e-01 8.396327e-02 2.542754e-02 0.000485 0.002332 True native_MD 7 224 253 CG1_AB42_24 CD_AB42_28 1 1.758189e-03 5.105451e-06 ; 3.777125e-01 1.513691e-01 6.820047e-02 2.871677e-02 0.000485 0.002332 True native_MD 7 224 254 CG1_AB42_24 CE_AB42_28 1 1.362343e-03 3.217071e-06 ; 3.649184e-01 1.442289e-01 5.857760e-02 3.054067e-02 0.000485 0.002332 True native_MD 7 224 255 -CG1_AB42_24 NZ_AB42_28 1 0.000000e+00 2.718745e-06 ; 3.062145e-01 -2.718745e-06 2.521870e-02 1.640293e-02 0.000485 0.000060 True native_MD 7 224 256 +CG1_AB42_24 NZ_AB42_28 1 0.000000e+00 2.718719e-06 ; 3.062142e-01 -2.718719e-06 2.521870e-02 1.640293e-02 0.000485 0.000060 True native_MD 7 224 256 CG1_AB42_24 C_AB42_28 1 5.532164e-04 1.007572e-06 ; 3.494595e-01 7.593712e-02 5.146467e-02 5.303711e-03 0.000485 0.000060 True native_MD 7 224 257 CG1_AB42_24 O_AB42_28 1 6.885143e-04 7.347432e-07 ; 3.196714e-01 1.612985e-01 3.233252e-02 5.163725e-03 0.000485 0.001191 True native_MD 7 224 258 -CG1_AB42_24 N_AB42_29 1 0.000000e+00 2.636320e-06 ; 3.054299e-01 -2.636320e-06 4.475348e-02 5.887733e-03 0.000485 0.000060 True native_MD 7 224 259 +CG1_AB42_24 N_AB42_29 1 0.000000e+00 2.636295e-06 ; 3.054296e-01 -2.636295e-06 4.475348e-02 5.887733e-03 0.000485 0.000060 True native_MD 7 224 259 CG1_AB42_24 CA_AB42_29 1 1.675709e-03 4.274011e-06 ; 3.696348e-01 1.642487e-01 5.794656e-02 1.659527e-02 0.000485 0.002332 True native_MD 7 224 261 -CG1_AB42_24 C_AB42_29 1 0.000000e+00 4.558753e-06 ; 3.196923e-01 -4.558753e-06 4.315655e-02 7.744277e-03 0.000485 0.000060 True native_MD 7 224 262 +CG1_AB42_24 C_AB42_29 1 0.000000e+00 4.558694e-06 ; 3.196920e-01 -4.558694e-06 4.315655e-02 7.744277e-03 0.000485 0.000060 True native_MD 7 224 262 CG1_AB42_24 O_AB42_29 1 4.869424e-04 3.842994e-07 ; 3.039942e-01 1.542501e-01 3.131521e-02 6.175683e-03 0.000485 0.001191 True native_MD 7 224 263 -CG1_AB42_24 N_AB42_30 1 0.000000e+00 2.691297e-06 ; 3.059556e-01 -2.691297e-06 2.252535e-02 3.702650e-03 0.000485 0.000060 True native_MD 7 224 264 +CG1_AB42_24 N_AB42_30 1 0.000000e+00 2.691271e-06 ; 3.059554e-01 -2.691271e-06 2.252535e-02 3.702650e-03 0.000485 0.000060 True native_MD 7 224 264 CG1_AB42_24 CA_AB42_30 1 1.986695e-03 6.709847e-06 ; 3.873441e-01 1.470584e-01 4.993193e-02 1.982151e-02 0.000485 0.001932 True native_MD 7 224 266 CG1_AB42_24 CB_AB42_30 1 1.304865e-03 2.394781e-06 ; 3.499049e-01 1.777482e-01 4.715002e-02 2.054645e-02 0.000485 0.005315 True native_MD 7 224 267 -CG1_AB42_24 C_AB42_30 1 0.000000e+00 4.641919e-06 ; 3.201743e-01 -4.641919e-06 2.190652e-02 4.091405e-03 0.000485 0.000060 True native_MD 7 224 268 +CG1_AB42_24 C_AB42_30 1 0.000000e+00 4.641859e-06 ; 3.201739e-01 -4.641859e-06 2.190652e-02 4.091405e-03 0.000485 0.000060 True native_MD 7 224 268 CG1_AB42_24 O_AB42_30 1 5.357392e-04 4.643947e-07 ; 3.087846e-01 1.545111e-01 1.963995e-02 3.843068e-03 0.000485 0.001191 True native_MD 7 224 269 -CG1_AB42_24 N_AB42_31 1 0.000000e+00 2.721892e-06 ; 3.062440e-01 -2.721892e-06 9.171968e-03 1.503488e-03 0.000485 0.000060 True native_MD 7 224 270 +CG1_AB42_24 N_AB42_31 1 0.000000e+00 2.721866e-06 ; 3.062437e-01 -2.721866e-06 9.171968e-03 1.503488e-03 0.000485 0.000060 True native_MD 7 224 270 CG1_AB42_24 CA_AB42_31 1 2.332269e-03 8.523410e-06 ; 3.924694e-01 1.595452e-01 2.729198e-02 7.456007e-03 0.000485 0.001932 True native_MD 7 224 272 CG1_AB42_24 CB_AB42_31 1 2.247079e-03 8.335656e-06 ; 3.934476e-01 1.514387e-01 3.474041e-02 1.209661e-02 0.000485 0.001932 True native_MD 7 224 273 CG1_AB42_24 CG1_AB42_31 1 1.573452e-03 4.083285e-06 ; 3.707030e-01 1.515783e-01 2.696693e-02 1.128393e-02 0.000485 0.002332 True native_MD 7 224 274 CG1_AB42_24 CG2_AB42_31 1 1.465350e-03 2.961774e-06 ; 3.555782e-01 1.812470e-01 2.593689e-02 1.017887e-02 0.000485 0.005315 True native_MD 7 224 275 CG1_AB42_24 CD_AB42_31 1 1.321764e-03 2.553354e-06 ; 3.529064e-01 1.710555e-01 2.867179e-02 1.526482e-02 0.000485 0.005315 True native_MD 7 224 276 -CG1_AB42_24 C_AB42_31 1 0.000000e+00 4.684604e-06 ; 3.204186e-01 -4.684604e-06 1.073084e-02 1.947438e-03 0.000485 0.000060 True native_MD 7 224 277 +CG1_AB42_24 C_AB42_31 1 0.000000e+00 4.684543e-06 ; 3.204183e-01 -4.684543e-06 1.073084e-02 1.947438e-03 0.000485 0.000060 True native_MD 7 224 277 CG1_AB42_24 O_AB42_31 1 5.054824e-04 4.776340e-07 ; 3.132551e-01 1.337386e-01 5.696089e-03 2.075330e-03 0.000485 0.001191 True native_MD 7 224 278 CG1_AB42_24 N_AB42_32 1 4.779719e-04 7.626702e-07 ; 3.418396e-01 7.488727e-02 1.059024e-02 1.126214e-03 0.000485 0.000060 True native_MD 7 224 279 CG1_AB42_24 CA_AB42_32 1 2.866922e-03 1.089199e-05 ; 3.950165e-01 1.886534e-01 4.665837e-02 5.334475e-03 0.000485 0.001932 True native_MD 7 224 281 @@ -43871,17 +43871,17 @@ CG1_AB42_24 CB_AB42_34 1 1.946788e-03 5.358429e-06 ; 3.743574e-01 1.768235 CG1_AB42_24 CG_AB42_34 1 2.904579e-03 1.257958e-05 ; 4.037357e-01 1.676642e-01 2.580714e-02 5.529580e-03 0.000485 0.001932 True native_MD 7 224 297 CG1_AB42_24 CD1_AB42_34 1 1.637209e-03 3.437108e-06 ; 3.578339e-01 1.949643e-01 2.041593e-02 5.194988e-03 0.000485 0.005315 True native_MD 7 224 298 CG1_AB42_24 CD2_AB42_34 1 1.418275e-03 2.588124e-06 ; 3.495726e-01 1.943015e-01 2.001498e-02 4.458119e-03 0.000485 0.005315 True native_MD 7 224 299 -CG1_AB42_24 C_AB42_34 1 0.000000e+00 4.702766e-06 ; 3.205220e-01 -4.702766e-06 5.765800e-03 8.251807e-04 0.000485 0.000060 True native_MD 7 224 300 +CG1_AB42_24 C_AB42_34 1 0.000000e+00 4.702704e-06 ; 3.205216e-01 -4.702704e-06 5.765800e-03 8.251807e-04 0.000485 0.000060 True native_MD 7 224 300 CG1_AB42_24 O_AB42_34 1 5.849573e-04 5.658650e-07 ; 3.144837e-01 1.511734e-01 5.505972e-03 8.353924e-04 0.000485 0.001191 True native_MD 7 224 301 -CG1_AB42_24 N_AB42_35 1 0.000000e+00 2.737749e-06 ; 3.063923e-01 -2.737749e-06 2.387615e-03 5.001652e-04 0.000485 0.000060 True native_MD 7 224 302 +CG1_AB42_24 N_AB42_35 1 0.000000e+00 2.737723e-06 ; 3.063920e-01 -2.737723e-06 2.387615e-03 5.001652e-04 0.000485 0.000060 True native_MD 7 224 302 CG1_AB42_24 CA_AB42_35 1 2.601797e-03 9.878041e-06 ; 3.949719e-01 1.713232e-01 1.072996e-02 2.060610e-03 0.000485 0.001932 True native_MD 7 224 304 CG1_AB42_24 CB_AB42_35 1 1.667084e-03 3.834312e-06 ; 3.633192e-01 1.812039e-01 1.352476e-02 2.267889e-03 0.000485 0.002332 True native_MD 7 224 305 CG1_AB42_24 CG_AB42_35 1 1.860376e-03 4.910264e-06 ; 3.717498e-01 1.762124e-01 1.513559e-02 3.030172e-03 0.000485 0.002332 True native_MD 7 224 306 -CG1_AB42_24 SD_AB42_35 1 0.000000e+00 4.780008e-06 ; 3.209574e-01 -4.780008e-06 1.560197e-02 3.436013e-03 0.000485 0.000060 True native_MD 7 224 307 +CG1_AB42_24 SD_AB42_35 1 0.000000e+00 4.780018e-06 ; 3.209575e-01 -4.780018e-06 1.560197e-02 3.436013e-03 0.000485 0.000060 True native_MD 7 224 307 CG1_AB42_24 CE_AB42_35 1 1.531702e-03 3.086172e-06 ; 3.553920e-01 1.900504e-01 1.762401e-02 4.392002e-03 0.000485 0.005315 True native_MD 7 224 308 -CG1_AB42_24 C_AB42_35 1 0.000000e+00 4.704080e-06 ; 3.205294e-01 -4.704080e-06 5.412465e-03 7.499303e-04 0.000485 0.000060 True native_MD 7 224 309 +CG1_AB42_24 C_AB42_35 1 0.000000e+00 4.704019e-06 ; 3.205291e-01 -4.704019e-06 5.412465e-03 7.499303e-04 0.000485 0.000060 True native_MD 7 224 309 CG1_AB42_24 O_AB42_35 1 5.175808e-04 4.702875e-07 ; 3.112176e-01 1.424075e-01 4.235514e-03 7.375057e-04 0.000485 0.001191 True native_MD 7 224 310 -CG1_AB42_24 N_AB42_36 1 0.000000e+00 2.735292e-06 ; 3.063693e-01 -2.735292e-06 3.184836e-03 4.016228e-04 0.000485 0.000060 True native_MD 7 224 311 +CG1_AB42_24 N_AB42_36 1 0.000000e+00 2.735266e-06 ; 3.063691e-01 -2.735266e-06 3.184836e-03 4.016228e-04 0.000485 0.000060 True native_MD 7 224 311 CG1_AB42_24 CA_AB42_36 1 3.009517e-03 1.199572e-05 ; 3.981881e-01 1.887589e-01 1.695585e-02 1.863348e-03 0.000485 0.001932 True native_MD 7 224 313 CG1_AB42_24 CB_AB42_36 1 2.974379e-03 1.154603e-05 ; 3.964357e-01 1.915579e-01 3.444019e-02 3.609769e-03 0.000485 0.001932 True native_MD 7 224 314 CG1_AB42_24 CG1_AB42_36 1 1.497168e-03 2.742803e-06 ; 3.498007e-01 2.043086e-01 2.700314e-02 3.399065e-03 0.000485 0.005315 True native_MD 7 224 315 @@ -43894,14 +43894,14 @@ CG1_AB42_24 C_AB42_37 1 7.649148e-04 1.910524e-06 ; 3.683465e-01 7.656205 CG1_AB42_24 O_AB42_37 1 6.460870e-04 7.492565e-07 ; 3.241330e-01 1.392809e-01 4.384834e-03 1.353421e-03 0.000485 0.001191 True native_MD 7 224 323 CG1_AB42_24 N_AB42_38 1 4.931631e-04 6.945131e-07 ; 3.347971e-01 8.754690e-02 8.275984e-03 6.025622e-04 0.000485 0.000060 True native_MD 7 224 324 CG1_AB42_24 CA_AB42_38 1 1.274412e-03 2.382823e-06 ; 3.509918e-01 1.703993e-01 9.788270e-03 1.661814e-03 0.000485 0.002332 True native_MD 7 224 326 -CG1_AB42_24 C_AB42_38 1 0.000000e+00 4.699532e-06 ; 3.205036e-01 -4.699532e-06 6.485861e-03 8.609865e-04 0.000485 0.000060 True native_MD 7 224 327 +CG1_AB42_24 C_AB42_38 1 0.000000e+00 4.699470e-06 ; 3.205032e-01 -4.699470e-06 6.485861e-03 8.609865e-04 0.000485 0.000060 True native_MD 7 224 327 CG1_AB42_24 O_AB42_38 1 5.722052e-04 5.216645e-07 ; 3.113914e-01 1.569106e-01 6.537303e-03 7.659566e-04 0.000485 0.001191 True native_MD 7 224 328 CG1_AB42_24 N_AB42_39 1 6.429647e-04 1.459116e-06 ; 3.625076e-01 7.083120e-02 2.621186e-03 3.147229e-04 0.000485 0.000060 True native_MD 7 224 329 CG1_AB42_24 CA_AB42_39 1 2.774254e-03 1.147728e-05 ; 4.006657e-01 1.676461e-01 9.014140e-03 1.631701e-03 0.000485 0.001932 True native_MD 7 224 331 CG1_AB42_24 CB_AB42_39 1 2.179568e-03 7.204894e-06 ; 3.859605e-01 1.648365e-01 1.183359e-02 2.759427e-03 0.000485 0.001932 True native_MD 7 224 332 CG1_AB42_24 CG1_AB42_39 1 1.294630e-03 2.511981e-06 ; 3.531656e-01 1.668074e-01 8.790707e-03 2.283144e-03 0.000485 0.005315 True native_MD 7 224 333 CG1_AB42_24 CG2_AB42_39 1 1.178426e-03 2.085377e-06 ; 3.477873e-01 1.664794e-01 8.704834e-03 2.150708e-03 0.000485 0.005315 True native_MD 7 224 334 -CG1_AB42_24 C_AB42_39 1 0.000000e+00 4.707449e-06 ; 3.205485e-01 -4.707449e-06 4.607592e-03 6.579668e-04 0.000485 0.000060 True native_MD 7 224 335 +CG1_AB42_24 C_AB42_39 1 0.000000e+00 4.707388e-06 ; 3.205482e-01 -4.707388e-06 4.607592e-03 6.579668e-04 0.000485 0.000060 True native_MD 7 224 335 CG1_AB42_24 O_AB42_39 1 4.178682e-04 3.128832e-07 ; 3.013403e-01 1.395200e-01 3.884886e-03 5.694478e-04 0.000485 0.001191 True native_MD 7 224 336 CG1_AB42_24 N_AB42_40 1 5.692931e-04 1.040410e-06 ; 3.496590e-01 7.787668e-02 3.187449e-03 3.099603e-04 0.000485 0.000060 True native_MD 7 224 337 CG1_AB42_24 CA_AB42_40 1 4.880880e-03 2.697080e-05 ; 4.204677e-01 2.208221e-01 4.426236e-02 1.426113e-03 0.000485 0.001932 True native_MD 7 224 339 @@ -43924,43 +43924,43 @@ CG1_AB42_24 CB_AB42_42 1 1.544999e-03 2.483782e-06 ; 3.422664e-01 2.402608 CG1_AB42_24 C_AB42_42 1 2.576078e-03 1.349882e-05 ; 4.167633e-01 1.229029e-01 2.840174e-02 7.178221e-04 0.000485 0.000060 True native_MD 7 224 358 CG1_AB42_24 O1_AB42_42 1 4.994146e-04 8.650779e-07 ; 3.465498e-01 7.207877e-02 6.144016e-03 7.106711e-04 0.000485 0.000060 True native_MD 7 224 359 CG1_AB42_24 O2_AB42_42 1 4.994146e-04 8.650779e-07 ; 3.465498e-01 7.207877e-02 6.144016e-03 7.106711e-04 0.000485 0.000060 True native_MD 7 224 360 -CG2_AB42_24 C_AB42_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 225 226 +CG2_AB42_24 C_AB42_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 225 226 CG2_AB42_24 O_AB42_24 1 0.000000e+00 1.420325e-06 ; 2.900864e-01 -1.420325e-06 9.762656e-01 9.206360e-01 0.000485 0.000060 True native_MD 4 225 227 -CG2_AB42_24 N_AB42_25 1 0.000000e+00 2.697001e-06 ; 3.060096e-01 -2.697001e-06 9.899874e-01 9.732444e-01 0.000485 0.000060 True native_MD 4 225 228 -CG2_AB42_24 CA_AB42_25 1 0.000000e+00 1.267283e-05 ; 3.481244e-01 -1.267283e-05 4.570113e-01 5.571011e-01 0.000485 0.000060 True native_MD 5 225 230 -CG2_AB42_24 C_AB42_25 1 0.000000e+00 5.024103e-06 ; 3.222923e-01 -5.024103e-06 6.342732e-02 1.264786e-01 0.000485 0.000060 True native_MD 6 225 231 +CG2_AB42_24 N_AB42_25 1 0.000000e+00 2.696976e-06 ; 3.060094e-01 -2.696976e-06 9.899874e-01 9.732444e-01 0.000485 0.000060 True native_MD 4 225 228 +CG2_AB42_24 CA_AB42_25 1 0.000000e+00 1.267267e-05 ; 3.481240e-01 -1.267267e-05 4.570113e-01 5.571011e-01 0.000485 0.000060 True native_MD 5 225 230 +CG2_AB42_24 C_AB42_25 1 0.000000e+00 5.024038e-06 ; 3.222919e-01 -5.024038e-06 6.342732e-02 1.264786e-01 0.000485 0.000060 True native_MD 6 225 231 CG2_AB42_24 O_AB42_25 1 4.468276e-04 5.567435e-07 ; 3.280343e-01 8.965300e-02 2.744694e-02 3.740851e-02 0.000485 0.001191 True native_MD 7 225 232 -CG2_AB42_24 N_AB42_26 1 0.000000e+00 2.960077e-06 ; 3.083923e-01 -2.960077e-06 5.097418e-02 1.301419e-01 0.000485 0.000060 True native_MD 7 225 233 +CG2_AB42_24 N_AB42_26 1 0.000000e+00 2.960049e-06 ; 3.083921e-01 -2.960049e-06 5.097418e-02 1.301419e-01 0.000485 0.000060 True native_MD 7 225 233 CG2_AB42_24 CA_AB42_26 1 1.773336e-03 9.388395e-06 ; 4.174778e-01 8.373954e-02 5.538152e-02 1.462371e-01 0.000485 0.001932 True native_MD 7 225 235 CG2_AB42_24 CB_AB42_26 1 9.436274e-04 2.627505e-06 ; 3.750799e-01 8.472226e-02 3.883643e-02 1.201639e-01 0.000485 0.002332 True native_MD 7 225 236 -CG2_AB42_24 OG_AB42_26 1 0.000000e+00 2.160651e-06 ; 3.004072e-01 -2.160651e-06 2.220730e-02 6.251919e-02 0.000485 0.000060 True native_MD 7 225 237 -CG2_AB42_24 C_AB42_26 1 0.000000e+00 4.776903e-06 ; 3.209400e-01 -4.776903e-06 3.388982e-02 4.463598e-02 0.000485 0.000060 True native_MD 7 225 238 +CG2_AB42_24 OG_AB42_26 1 0.000000e+00 2.160627e-06 ; 3.004070e-01 -2.160627e-06 2.220730e-02 6.251919e-02 0.000485 0.000060 True native_MD 7 225 237 +CG2_AB42_24 C_AB42_26 1 0.000000e+00 4.776841e-06 ; 3.209397e-01 -4.776841e-06 3.388982e-02 4.463598e-02 0.000485 0.000060 True native_MD 7 225 238 CG2_AB42_24 O_AB42_26 1 2.392692e-04 1.528431e-07 ; 2.934674e-01 9.364138e-02 2.791365e-02 3.376427e-02 0.000485 0.001191 True native_MD 7 225 239 -CG2_AB42_24 N_AB42_27 1 0.000000e+00 2.782688e-06 ; 3.068083e-01 -2.782688e-06 1.907672e-02 3.357282e-02 0.000485 0.000060 True native_MD 7 225 240 +CG2_AB42_24 N_AB42_27 1 0.000000e+00 2.782662e-06 ; 3.068080e-01 -2.782662e-06 1.907672e-02 3.357282e-02 0.000485 0.000060 True native_MD 7 225 240 CG2_AB42_24 CA_AB42_27 1 1.594989e-03 6.228970e-06 ; 3.968348e-01 1.021032e-01 3.562504e-02 5.429776e-02 0.000485 0.001932 True native_MD 7 225 242 CG2_AB42_24 CB_AB42_27 1 1.950898e-03 7.937757e-06 ; 3.995556e-01 1.198702e-01 3.662038e-02 3.957782e-02 0.000485 0.002332 True native_MD 7 225 243 -CG2_AB42_24 CG_AB42_27 1 0.000000e+00 4.754526e-06 ; 3.208145e-01 -4.754526e-06 2.048537e-02 2.649677e-02 0.000485 0.000060 True native_MD 7 225 244 +CG2_AB42_24 CG_AB42_27 1 0.000000e+00 4.754464e-06 ; 3.208141e-01 -4.754464e-06 2.048537e-02 2.649677e-02 0.000485 0.000060 True native_MD 7 225 244 CG2_AB42_24 OD1_AB42_27 1 2.912889e-04 2.427410e-07 ; 3.067632e-01 8.738657e-02 1.558286e-02 2.272896e-02 0.000485 0.001191 True native_MD 7 225 245 -CG2_AB42_24 ND2_AB42_27 1 0.000000e+00 4.721637e-06 ; 3.206289e-01 -4.721637e-06 3.070924e-02 3.022632e-02 0.000485 0.000060 True native_MD 7 225 246 -CG2_AB42_24 C_AB42_27 1 0.000000e+00 4.713071e-06 ; 3.205804e-01 -4.713071e-06 1.328413e-02 1.052391e-02 0.000485 0.000060 True native_MD 7 225 247 +CG2_AB42_24 ND2_AB42_27 1 0.000000e+00 4.721628e-06 ; 3.206289e-01 -4.721628e-06 3.070924e-02 3.022632e-02 0.000485 0.000060 True native_MD 7 225 246 +CG2_AB42_24 C_AB42_27 1 0.000000e+00 4.713009e-06 ; 3.205801e-01 -4.713009e-06 1.328413e-02 1.052391e-02 0.000485 0.000060 True native_MD 7 225 247 CG2_AB42_24 O_AB42_27 1 3.102105e-04 2.495203e-07 ; 3.049591e-01 9.641554e-02 8.603249e-03 9.577417e-03 0.000485 0.001191 True native_MD 7 225 248 -CG2_AB42_24 N_AB42_28 1 0.000000e+00 2.713120e-06 ; 3.061616e-01 -2.713120e-06 1.801004e-02 7.143540e-03 0.000485 0.000060 True native_MD 7 225 249 +CG2_AB42_24 N_AB42_28 1 0.000000e+00 2.713094e-06 ; 3.061614e-01 -2.713094e-06 1.801004e-02 7.143540e-03 0.000485 0.000060 True native_MD 7 225 249 CG2_AB42_24 CA_AB42_28 1 1.505397e-03 3.691149e-06 ; 3.672133e-01 1.534902e-01 5.653476e-02 1.851322e-02 0.000485 0.001932 True native_MD 7 225 251 CG2_AB42_24 CB_AB42_28 1 1.706330e-03 4.704835e-06 ; 3.744670e-01 1.547112e-01 4.385121e-02 1.670680e-02 0.000485 0.002332 True native_MD 7 225 252 CG2_AB42_24 CG_AB42_28 1 1.779444e-03 5.105035e-06 ; 3.769517e-01 1.550637e-01 5.122278e-02 1.931053e-02 0.000485 0.002332 True native_MD 7 225 253 CG2_AB42_24 CD_AB42_28 1 1.609102e-03 4.507257e-06 ; 3.754523e-01 1.436133e-01 4.172043e-02 2.215627e-02 0.000485 0.002332 True native_MD 7 225 254 CG2_AB42_24 CE_AB42_28 1 1.516485e-03 4.095339e-06 ; 3.731716e-01 1.403868e-01 3.837299e-02 2.244432e-02 0.000485 0.002332 True native_MD 7 225 255 -CG2_AB42_24 NZ_AB42_28 1 0.000000e+00 2.726968e-06 ; 3.062915e-01 -2.726968e-06 1.757426e-02 1.175647e-02 0.000485 0.000060 True native_MD 7 225 256 -CG2_AB42_24 C_AB42_28 1 0.000000e+00 4.628107e-06 ; 3.200948e-01 -4.628107e-06 2.541382e-02 4.676061e-03 0.000485 0.000060 True native_MD 7 225 257 +CG2_AB42_24 NZ_AB42_28 1 0.000000e+00 2.726943e-06 ; 3.062913e-01 -2.726943e-06 1.757426e-02 1.175647e-02 0.000485 0.000060 True native_MD 7 225 256 +CG2_AB42_24 C_AB42_28 1 0.000000e+00 4.628046e-06 ; 3.200944e-01 -4.628046e-06 2.541382e-02 4.676061e-03 0.000485 0.000060 True native_MD 7 225 257 CG2_AB42_24 O_AB42_28 1 3.680808e-04 2.357915e-07 ; 2.936055e-01 1.436476e-01 1.305919e-02 3.537065e-03 0.000485 0.001191 True native_MD 7 225 258 -CG2_AB42_24 N_AB42_29 1 0.000000e+00 2.693813e-06 ; 3.059795e-01 -2.693813e-06 2.336096e-02 5.455565e-03 0.000485 0.000060 True native_MD 7 225 259 +CG2_AB42_24 N_AB42_29 1 0.000000e+00 2.693788e-06 ; 3.059792e-01 -2.693788e-06 2.336096e-02 5.455565e-03 0.000485 0.000060 True native_MD 7 225 259 CG2_AB42_24 CA_AB42_29 1 1.272049e-03 2.631094e-06 ; 3.569484e-01 1.537487e-01 3.627421e-02 1.422391e-02 0.000485 0.002332 True native_MD 7 225 261 -CG2_AB42_24 C_AB42_29 1 0.000000e+00 4.638849e-06 ; 3.201566e-01 -4.638849e-06 2.553137e-02 7.066574e-03 0.000485 0.000060 True native_MD 7 225 262 +CG2_AB42_24 C_AB42_29 1 0.000000e+00 4.638788e-06 ; 3.201563e-01 -4.638788e-06 2.553137e-02 7.066574e-03 0.000485 0.000060 True native_MD 7 225 262 CG2_AB42_24 O_AB42_29 1 4.940343e-04 4.140326e-07 ; 3.070527e-01 1.473736e-01 2.029499e-02 4.916889e-03 0.000485 0.001191 True native_MD 7 225 263 -CG2_AB42_24 N_AB42_30 1 0.000000e+00 2.705637e-06 ; 3.060912e-01 -2.705637e-06 1.743976e-02 3.845242e-03 0.000485 0.000060 True native_MD 7 225 264 +CG2_AB42_24 N_AB42_30 1 0.000000e+00 2.705612e-06 ; 3.060909e-01 -2.705612e-06 1.743976e-02 3.845242e-03 0.000485 0.000060 True native_MD 7 225 264 CG2_AB42_24 CA_AB42_30 1 2.201798e-03 8.564883e-06 ; 3.965738e-01 1.415056e-01 3.522234e-02 1.650990e-02 0.000485 0.001932 True native_MD 7 225 266 CG2_AB42_24 CB_AB42_30 1 1.111063e-03 1.790782e-06 ; 3.424134e-01 1.723354e-01 3.351107e-02 1.717085e-02 0.000485 0.005315 True native_MD 7 225 267 -CG2_AB42_24 C_AB42_30 1 0.000000e+00 4.695922e-06 ; 3.204831e-01 -4.695922e-06 9.290591e-03 2.901817e-03 0.000485 0.000060 True native_MD 7 225 268 +CG2_AB42_24 C_AB42_30 1 0.000000e+00 4.695860e-06 ; 3.204827e-01 -4.695860e-06 9.290591e-03 2.901817e-03 0.000485 0.000060 True native_MD 7 225 268 CG2_AB42_24 O_AB42_30 1 2.760758e-04 1.453721e-07 ; 2.841682e-01 1.310737e-01 7.784619e-03 3.071726e-03 0.000485 0.001191 True native_MD 7 225 269 CG2_AB42_24 N_AB42_31 1 4.867622e-04 8.397080e-07 ; 3.463128e-01 7.054162e-02 5.642100e-03 6.833369e-04 0.000485 0.000060 True native_MD 7 225 270 CG2_AB42_24 CA_AB42_31 1 2.618197e-03 1.096952e-05 ; 4.015111e-01 1.562273e-01 1.790679e-02 5.402711e-03 0.000485 0.001932 True native_MD 7 225 272 @@ -43968,7 +43968,7 @@ CG2_AB42_24 CB_AB42_31 1 2.634822e-03 1.141520e-05 ; 4.037589e-01 1.520403 CG2_AB42_24 CG1_AB42_31 1 1.601428e-03 4.155227e-06 ; 3.706932e-01 1.542979e-01 2.232672e-02 8.612094e-03 0.000485 0.002332 True native_MD 7 225 274 CG2_AB42_24 CG2_AB42_31 1 1.593468e-03 3.566311e-06 ; 3.616701e-01 1.779949e-01 1.870924e-02 8.092914e-03 0.000485 0.005315 True native_MD 7 225 275 CG2_AB42_24 CD_AB42_31 1 1.392158e-03 2.811807e-06 ; 3.555354e-01 1.723183e-01 2.320466e-02 1.189600e-02 0.000485 0.005315 True native_MD 7 225 276 -CG2_AB42_24 C_AB42_31 1 0.000000e+00 4.709839e-06 ; 3.205621e-01 -4.709839e-06 4.917901e-03 1.473921e-03 0.000485 0.000060 True native_MD 7 225 277 +CG2_AB42_24 C_AB42_31 1 0.000000e+00 4.709777e-06 ; 3.205617e-01 -4.709777e-06 4.917901e-03 1.473921e-03 0.000485 0.000060 True native_MD 7 225 277 CG2_AB42_24 O_AB42_31 1 4.124712e-04 3.527355e-07 ; 3.080888e-01 1.205808e-01 2.668383e-03 1.441341e-03 0.000485 0.001191 True native_MD 7 225 278 CG2_AB42_24 N_AB42_32 1 5.451731e-04 1.050173e-06 ; 3.527398e-01 7.075350e-02 5.304540e-03 6.383930e-04 0.000485 0.000060 True native_MD 7 225 279 CG2_AB42_24 CA_AB42_32 1 3.412129e-03 1.500359e-05 ; 4.047576e-01 1.939973e-01 4.214439e-02 4.106286e-03 0.000485 0.001932 True native_MD 7 225 281 @@ -43990,20 +43990,20 @@ CG2_AB42_24 CD1_AB42_34 1 1.330924e-03 2.242897e-06 ; 3.449658e-01 1.974409 CG2_AB42_24 CD2_AB42_34 1 1.322164e-03 2.257294e-06 ; 3.457141e-01 1.936076e-01 1.960365e-02 3.313596e-03 0.000485 0.005315 True native_MD 7 225 299 CG2_AB42_24 C_AB42_34 1 9.081011e-04 2.331321e-06 ; 3.700366e-01 8.843137e-02 7.324437e-03 5.193513e-04 0.000485 0.000060 True native_MD 7 225 300 CG2_AB42_24 O_AB42_34 1 6.146796e-04 6.020642e-07 ; 3.151367e-01 1.568898e-01 6.533235e-03 6.977248e-04 0.000485 0.001191 True native_MD 7 225 301 -CG2_AB42_24 N_AB42_35 1 0.000000e+00 2.741339e-06 ; 3.064257e-01 -2.741339e-06 8.245415e-04 2.459229e-04 0.000485 0.000060 True native_MD 7 225 302 +CG2_AB42_24 N_AB42_35 1 0.000000e+00 2.741313e-06 ; 3.064255e-01 -2.741313e-06 8.245415e-04 2.459229e-04 0.000485 0.000060 True native_MD 7 225 302 CG2_AB42_24 CA_AB42_35 1 2.964398e-03 1.351335e-05 ; 4.071968e-01 1.625736e-01 7.744598e-03 1.807855e-03 0.000485 0.001932 True native_MD 7 225 304 CG2_AB42_24 CB_AB42_35 1 1.680233e-03 4.032520e-06 ; 3.659046e-01 1.750260e-01 1.124184e-02 1.933529e-03 0.000485 0.002332 True native_MD 7 225 305 CG2_AB42_24 CG_AB42_35 1 1.920231e-03 5.143995e-06 ; 3.726701e-01 1.792035e-01 1.387861e-02 2.540619e-03 0.000485 0.002332 True native_MD 7 225 306 -CG2_AB42_24 SD_AB42_35 1 0.000000e+00 4.778104e-06 ; 3.209467e-01 -4.778104e-06 1.516565e-02 2.606083e-03 0.000485 0.000060 True native_MD 7 225 307 +CG2_AB42_24 SD_AB42_35 1 0.000000e+00 4.778114e-06 ; 3.209468e-01 -4.778114e-06 1.516565e-02 2.606083e-03 0.000485 0.000060 True native_MD 7 225 307 CG2_AB42_24 CE_AB42_35 1 1.226888e-03 1.952685e-06 ; 3.416944e-01 1.927160e-01 1.908749e-02 3.899155e-03 0.000485 0.005315 True native_MD 7 225 308 -CG2_AB42_24 C_AB42_35 1 0.000000e+00 4.715699e-06 ; 3.205953e-01 -4.715699e-06 3.083844e-03 8.798672e-04 0.000485 0.000060 True native_MD 7 225 309 +CG2_AB42_24 C_AB42_35 1 0.000000e+00 4.715638e-06 ; 3.205950e-01 -4.715638e-06 3.083844e-03 8.798672e-04 0.000485 0.000060 True native_MD 7 225 309 CG2_AB42_24 O_AB42_35 1 4.819325e-04 4.841962e-07 ; 3.164748e-01 1.199198e-01 2.160935e-03 8.282547e-04 0.000485 0.001191 True native_MD 7 225 310 -CG2_AB42_24 N_AB42_36 1 0.000000e+00 2.739823e-06 ; 3.064116e-01 -2.739823e-06 1.594416e-03 4.629382e-04 0.000485 0.000060 True native_MD 7 225 311 +CG2_AB42_24 N_AB42_36 1 0.000000e+00 2.739797e-06 ; 3.064114e-01 -2.739797e-06 1.594416e-03 4.629382e-04 0.000485 0.000060 True native_MD 7 225 311 CG2_AB42_24 CA_AB42_36 1 4.998864e-03 3.303892e-05 ; 4.332040e-01 1.890849e-01 1.891447e-02 2.134757e-03 0.000485 0.001932 True native_MD 7 225 313 CG2_AB42_24 CB_AB42_36 1 2.860703e-03 1.028054e-05 ; 3.913727e-01 1.990076e-01 4.011881e-02 3.364657e-03 0.000485 0.001932 True native_MD 7 225 314 CG2_AB42_24 CG1_AB42_36 1 1.371930e-03 2.252534e-06 ; 3.434709e-01 2.088972e-01 3.097779e-02 2.779674e-03 0.000485 0.005315 True native_MD 7 225 315 CG2_AB42_24 CG2_AB42_36 1 1.584829e-03 2.969230e-06 ; 3.511103e-01 2.114759e-01 3.346303e-02 2.924448e-03 0.000485 0.005315 True native_MD 7 225 316 -CG2_AB42_24 C_AB42_36 1 0.000000e+00 4.700887e-06 ; 3.205113e-01 -4.700887e-06 6.263837e-03 9.257766e-04 0.000485 0.000060 True native_MD 7 225 317 +CG2_AB42_24 C_AB42_36 1 0.000000e+00 4.700826e-06 ; 3.205109e-01 -4.700826e-06 6.263837e-03 9.257766e-04 0.000485 0.000060 True native_MD 7 225 317 CG2_AB42_24 O_AB42_36 1 6.733135e-04 8.044694e-07 ; 3.257482e-01 1.408851e-01 4.046881e-03 7.383196e-04 0.000485 0.001191 True native_MD 7 225 318 CG2_AB42_24 N_AB42_37 1 6.489998e-04 1.289480e-06 ; 3.545643e-01 8.166093e-02 9.137764e-03 7.934510e-04 0.000485 0.000060 True native_MD 7 225 319 CG2_AB42_24 CA_AB42_37 1 1.382868e-03 2.550954e-06 ; 3.502034e-01 1.874125e-01 1.628627e-02 2.103950e-03 0.000485 0.002332 True native_MD 7 225 321 @@ -44011,16 +44011,16 @@ CG2_AB42_24 C_AB42_37 1 5.690694e-04 1.096687e-06 ; 3.527656e-01 7.382235 CG2_AB42_24 O_AB42_37 1 4.268439e-04 3.386620e-07 ; 3.042633e-01 1.344967e-01 4.153536e-03 1.479366e-03 0.000485 0.001191 True native_MD 7 225 323 CG2_AB42_24 N_AB42_38 1 3.763647e-04 4.558071e-07 ; 3.264841e-01 7.769209e-02 6.222969e-03 6.084985e-04 0.000485 0.000060 True native_MD 7 225 324 CG2_AB42_24 CA_AB42_38 1 1.324352e-03 2.661974e-06 ; 3.552494e-01 1.647188e-01 8.258080e-03 2.102010e-03 0.000485 0.002332 True native_MD 7 225 326 -CG2_AB42_24 C_AB42_38 1 0.000000e+00 4.701775e-06 ; 3.205163e-01 -4.701775e-06 6.542722e-03 1.392484e-03 0.000485 0.000060 True native_MD 7 225 327 +CG2_AB42_24 C_AB42_38 1 0.000000e+00 4.701714e-06 ; 3.205160e-01 -4.701714e-06 6.542722e-03 1.392484e-03 0.000485 0.000060 True native_MD 7 225 327 CG2_AB42_24 O_AB42_38 1 3.817538e-04 2.315746e-07 ; 2.909497e-01 1.573315e-01 6.699399e-03 1.204805e-03 0.000485 0.001191 True native_MD 7 225 328 -CG2_AB42_24 N_AB42_39 1 0.000000e+00 2.735031e-06 ; 3.063669e-01 -2.735031e-06 3.294673e-03 4.162721e-04 0.000485 0.000060 True native_MD 7 225 329 +CG2_AB42_24 N_AB42_39 1 0.000000e+00 2.735005e-06 ; 3.063667e-01 -2.735005e-06 3.294673e-03 4.162721e-04 0.000485 0.000060 True native_MD 7 225 329 CG2_AB42_24 CA_AB42_39 1 3.082134e-03 1.390186e-05 ; 4.064779e-01 1.708323e-01 1.097877e-02 2.139593e-03 0.000485 0.001932 True native_MD 7 225 331 CG2_AB42_24 CB_AB42_39 1 1.965138e-03 5.619569e-06 ; 3.767486e-01 1.718001e-01 1.307588e-02 2.475543e-03 0.000485 0.001932 True native_MD 7 225 332 CG2_AB42_24 CG1_AB42_39 1 1.170986e-03 1.994066e-06 ; 3.455662e-01 1.719110e-01 1.024127e-02 1.700253e-03 0.000485 0.005315 True native_MD 7 225 333 CG2_AB42_24 CG2_AB42_39 1 1.244523e-03 2.257094e-06 ; 3.492136e-01 1.715521e-01 1.013185e-02 1.964843e-03 0.000485 0.005315 True native_MD 7 225 334 -CG2_AB42_24 C_AB42_39 1 0.000000e+00 4.707731e-06 ; 3.205501e-01 -4.707731e-06 4.620306e-03 7.302281e-04 0.000485 0.000060 True native_MD 7 225 335 +CG2_AB42_24 C_AB42_39 1 0.000000e+00 4.707669e-06 ; 3.205498e-01 -4.707669e-06 4.620306e-03 7.302281e-04 0.000485 0.000060 True native_MD 7 225 335 CG2_AB42_24 O_AB42_39 1 5.207881e-04 4.751150e-07 ; 3.114270e-01 1.427130e-01 4.274411e-03 7.491447e-04 0.000485 0.001191 True native_MD 7 225 336 -CG2_AB42_24 N_AB42_40 1 0.000000e+00 2.735511e-06 ; 3.063714e-01 -2.735511e-06 3.136542e-03 4.331220e-04 0.000485 0.000060 True native_MD 7 225 337 +CG2_AB42_24 N_AB42_40 1 0.000000e+00 2.735485e-06 ; 3.063711e-01 -2.735485e-06 3.136542e-03 4.331220e-04 0.000485 0.000060 True native_MD 7 225 337 CG2_AB42_24 CA_AB42_40 1 5.420926e-03 3.262163e-05 ; 4.264866e-01 2.252067e-01 5.046842e-02 1.862057e-03 0.000485 0.001932 True native_MD 7 225 339 CG2_AB42_24 CB_AB42_40 1 3.373944e-03 1.157908e-05 ; 3.883793e-01 2.457772e-01 1.084262e-01 2.243252e-03 0.000485 0.001932 True native_MD 7 225 340 CG2_AB42_24 CG1_AB42_40 1 1.534521e-03 2.356516e-06 ; 3.396640e-01 2.498132e-01 1.053957e-01 1.493317e-03 0.000485 0.005315 True native_MD 7 225 341 @@ -44039,19 +44039,19 @@ CG2_AB42_24 N_AB42_42 1 1.073297e-03 1.910281e-06 ; 3.481205e-01 1.507588 CG2_AB42_24 CA_AB42_42 1 2.464500e-03 6.197674e-06 ; 3.687653e-01 2.450016e-01 9.126140e-02 1.770695e-03 0.000485 0.001932 True native_MD 7 225 356 CG2_AB42_24 CB_AB42_42 1 1.630317e-03 2.762759e-06 ; 3.452856e-01 2.405145e-01 7.979394e-02 1.652132e-03 0.000485 0.005315 True native_MD 7 225 357 CG2_AB42_24 C_AB42_42 1 1.982866e-03 9.875577e-06 ; 4.132487e-01 9.953237e-02 1.638220e-02 8.332652e-04 0.000485 0.000060 True native_MD 7 225 358 -CG2_AB42_24 O1_AB42_42 1 0.000000e+00 1.214195e-06 ; 2.863205e-01 -1.214195e-06 3.378990e-03 6.933904e-04 0.000485 0.000060 True native_MD 7 225 359 -CG2_AB42_24 O2_AB42_42 1 0.000000e+00 1.214195e-06 ; 2.863205e-01 -1.214195e-06 3.378990e-03 6.933904e-04 0.000485 0.000060 True native_MD 7 225 360 - C_AB42_24 CA_AB42_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 230 - C_AB42_24 O_AB42_25 1 0.000000e+00 6.430453e-07 ; 2.715492e-01 -6.430453e-07 8.681077e-01 6.457253e-01 0.000485 0.000060 True native_MD 4 226 232 - C_AB42_24 N_AB42_26 1 0.000000e+00 1.472844e-06 ; 2.909654e-01 -1.472844e-06 9.861171e-01 9.627076e-01 0.000485 0.000060 True native_MD 4 226 233 - C_AB42_24 CA_AB42_26 1 0.000000e+00 1.236178e-05 ; 3.474042e-01 -1.236178e-05 9.168643e-01 8.639920e-01 0.000485 0.000060 True native_MD 5 226 235 - C_AB42_24 CB_AB42_26 1 0.000000e+00 5.734972e-06 ; 3.258662e-01 -5.734972e-06 4.993683e-01 4.048004e-01 0.000485 0.000060 True native_MD 6 226 236 +CG2_AB42_24 O1_AB42_42 1 0.000000e+00 1.214196e-06 ; 2.863205e-01 -1.214196e-06 3.378990e-03 6.933904e-04 0.000485 0.000060 True native_MD 7 225 359 +CG2_AB42_24 O2_AB42_42 1 0.000000e+00 1.214196e-06 ; 2.863205e-01 -1.214196e-06 3.378990e-03 6.933904e-04 0.000485 0.000060 True native_MD 7 225 360 + C_AB42_24 CA_AB42_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 230 + C_AB42_24 O_AB42_25 1 0.000000e+00 6.430423e-07 ; 2.715491e-01 -6.430423e-07 8.681077e-01 6.457253e-01 0.000485 0.000060 True native_MD 4 226 232 + C_AB42_24 N_AB42_26 1 0.000000e+00 1.472823e-06 ; 2.909651e-01 -1.472823e-06 9.861171e-01 9.627076e-01 0.000485 0.000060 True native_MD 4 226 233 + C_AB42_24 CA_AB42_26 1 0.000000e+00 1.236172e-05 ; 3.474041e-01 -1.236172e-05 9.168643e-01 8.639920e-01 0.000485 0.000060 True native_MD 5 226 235 + C_AB42_24 CB_AB42_26 1 0.000000e+00 5.734875e-06 ; 3.258657e-01 -5.734875e-06 4.993683e-01 4.048004e-01 0.000485 0.000060 True native_MD 6 226 236 C_AB42_24 OG_AB42_26 1 1.084811e-03 2.944217e-06 ; 3.734817e-01 9.992595e-02 4.327336e-02 7.890446e-02 0.000485 0.002166 True native_MD 7 226 237 - C_AB42_24 C_AB42_26 1 0.000000e+00 2.222369e-06 ; 3.011131e-01 -2.222369e-06 2.124737e-01 6.770142e-02 0.000485 0.000060 True native_MD 6 226 238 + C_AB42_24 C_AB42_26 1 0.000000e+00 2.222330e-06 ; 3.011127e-01 -2.222330e-06 2.124737e-01 6.770142e-02 0.000485 0.000060 True native_MD 6 226 238 C_AB42_24 O_AB42_26 1 1.125777e-03 2.352675e-06 ; 3.575622e-01 1.346737e-01 5.550431e-02 3.577706e-02 0.000485 0.002166 True native_MD 7 226 239 C_AB42_24 N_AB42_27 1 8.296920e-04 1.238267e-06 ; 3.380515e-01 1.389823e-01 1.793893e-01 1.016415e-01 0.000485 0.002166 True native_MD 7 226 240 C_AB42_24 CA_AB42_27 1 2.399771e-03 1.146674e-05 ; 4.104041e-01 1.255567e-01 1.870144e-01 9.788003e-02 0.000485 0.001339 True native_MD 7 226 242 - C_AB42_24 CB_AB42_27 1 0.000000e+00 5.734163e-06 ; 3.258623e-01 -5.734163e-06 1.461116e-01 5.141597e-02 0.000485 0.000060 True native_MD 7 226 243 + C_AB42_24 CB_AB42_27 1 0.000000e+00 5.734066e-06 ; 3.258619e-01 -5.734066e-06 1.461116e-01 5.141597e-02 0.000485 0.000060 True native_MD 7 226 243 C_AB42_24 CG_AB42_27 1 2.982899e-03 1.342175e-05 ; 4.063140e-01 1.657327e-01 6.482446e-02 1.649461e-02 0.000485 0.002166 True native_MD 7 226 244 C_AB42_24 OD1_AB42_27 1 6.217119e-04 7.231678e-07 ; 3.242960e-01 1.336224e-01 2.513751e-02 1.672103e-02 0.000485 0.002166 True native_MD 7 226 245 C_AB42_24 ND2_AB42_27 1 1.005933e-03 1.621819e-06 ; 3.424303e-01 1.559826e-01 1.038182e-01 3.536776e-02 0.000485 0.002166 True native_MD 7 226 246 @@ -44059,10 +44059,10 @@ CG2_AB42_24 O2_AB42_42 1 0.000000e+00 1.214195e-06 ; 2.863205e-01 -1.214195 C_AB42_24 O_AB42_27 1 7.414442e-04 1.098173e-06 ; 3.376230e-01 1.251487e-01 1.583545e-02 1.357379e-02 0.000485 0.002166 True native_MD 7 226 248 C_AB42_24 N_AB42_28 1 1.898929e-03 4.548605e-06 ; 3.657870e-01 1.981889e-01 1.067140e-01 1.028035e-02 0.000485 0.002166 True native_MD 7 226 249 C_AB42_24 CA_AB42_28 1 3.396855e-03 1.730292e-05 ; 4.148016e-01 1.667151e-01 1.421556e-01 2.171009e-02 0.000485 0.001339 True native_MD 7 226 251 - C_AB42_24 CB_AB42_28 1 0.000000e+00 5.745054e-06 ; 3.259139e-01 -5.745054e-06 1.209252e-01 2.794912e-02 0.000485 0.000060 True native_MD 7 226 252 - C_AB42_24 CG_AB42_28 1 0.000000e+00 5.720901e-06 ; 3.257995e-01 -5.720901e-06 1.250711e-01 2.828167e-02 0.000485 0.000060 True native_MD 7 226 253 - C_AB42_24 CD_AB42_28 1 0.000000e+00 5.895037e-06 ; 3.266146e-01 -5.895037e-06 9.245324e-02 2.315627e-02 0.000485 0.000060 True native_MD 7 226 254 - C_AB42_24 CE_AB42_28 1 0.000000e+00 5.961694e-06 ; 3.269207e-01 -5.961694e-06 7.893364e-02 2.016051e-02 0.000485 0.000060 True native_MD 7 226 255 + C_AB42_24 CB_AB42_28 1 0.000000e+00 5.744958e-06 ; 3.259134e-01 -5.744958e-06 1.209252e-01 2.794912e-02 0.000485 0.000060 True native_MD 7 226 252 + C_AB42_24 CG_AB42_28 1 0.000000e+00 5.720805e-06 ; 3.257990e-01 -5.720805e-06 1.250711e-01 2.828167e-02 0.000485 0.000060 True native_MD 7 226 253 + C_AB42_24 CD_AB42_28 1 0.000000e+00 5.894938e-06 ; 3.266141e-01 -5.894938e-06 9.245324e-02 2.315627e-02 0.000485 0.000060 True native_MD 7 226 254 + C_AB42_24 CE_AB42_28 1 0.000000e+00 5.961594e-06 ; 3.269203e-01 -5.961594e-06 7.893364e-02 2.016051e-02 0.000485 0.000060 True native_MD 7 226 255 C_AB42_24 NZ_AB42_28 1 9.965724e-04 1.475816e-06 ; 3.376141e-01 1.682386e-01 3.369047e-02 7.953315e-03 0.000485 0.002166 True native_MD 7 226 256 C_AB42_24 C_AB42_28 1 3.466900e-03 1.564310e-05 ; 4.065028e-01 1.920879e-01 1.873205e-02 1.852928e-03 0.000485 0.002166 True native_MD 7 226 257 C_AB42_24 O_AB42_28 1 8.226906e-04 1.008640e-06 ; 3.271523e-01 1.677556e-01 9.289034e-03 2.224815e-03 0.000485 0.002166 True native_MD 7 226 258 @@ -44072,15 +44072,15 @@ CG2_AB42_24 O2_AB42_42 1 0.000000e+00 1.214195e-06 ; 2.863205e-01 -1.214195 C_AB42_24 O_AB42_29 1 1.045078e-03 1.413489e-06 ; 3.325502e-01 1.931726e-01 1.935009e-02 7.155369e-04 0.000485 0.002166 True native_MD 7 226 263 C_AB42_24 N_AB42_30 1 1.414367e-03 3.342858e-06 ; 3.649718e-01 1.496050e-01 5.253512e-03 5.530979e-04 0.000485 0.002166 True native_MD 7 226 264 C_AB42_24 CA_AB42_30 1 4.875455e-03 3.654219e-05 ; 4.423811e-01 1.626207e-01 3.001857e-02 5.182043e-03 0.000485 0.001339 True native_MD 7 226 266 - C_AB42_24 CB_AB42_30 1 0.000000e+00 4.552762e-06 ; 3.196573e-01 -4.552762e-06 4.798885e-02 1.130889e-02 0.000485 0.000060 True native_MD 7 226 267 + C_AB42_24 CB_AB42_30 1 0.000000e+00 4.552702e-06 ; 3.196569e-01 -4.552702e-06 4.798885e-02 1.130889e-02 0.000485 0.000060 True native_MD 7 226 267 C_AB42_24 C_AB42_30 1 3.036679e-03 1.559646e-05 ; 4.153726e-01 1.478127e-01 4.979153e-03 2.906863e-04 0.000485 0.002166 True native_MD 7 226 268 C_AB42_24 O_AB42_30 1 6.901222e-04 7.806383e-07 ; 3.227904e-01 1.525254e-01 5.733307e-03 7.155484e-04 0.000485 0.002166 True native_MD 7 226 269 C_AB42_24 N_AB42_31 1 1.179815e-03 2.770614e-06 ; 3.645807e-01 1.256006e-01 2.561375e-03 8.565462e-05 0.000485 0.002166 True native_MD 7 226 270 C_AB42_24 CA_AB42_31 1 3.710946e-03 2.104542e-05 ; 4.222913e-01 1.635880e-01 7.983304e-03 7.669792e-04 0.000485 0.001339 True native_MD 7 226 272 - C_AB42_24 CB_AB42_31 1 0.000000e+00 1.290665e-05 ; 3.486552e-01 -1.290665e-05 1.418411e-02 3.058229e-03 0.000485 0.000060 True native_MD 7 226 273 - C_AB42_24 CG1_AB42_31 1 0.000000e+00 6.300060e-06 ; 3.284282e-01 -6.300060e-06 9.356750e-03 4.004522e-03 0.000485 0.000060 True native_MD 7 226 274 - C_AB42_24 CG2_AB42_31 1 0.000000e+00 4.689102e-06 ; 3.204442e-01 -4.689102e-06 1.212363e-02 4.291860e-03 0.000485 0.000060 True native_MD 7 226 275 - C_AB42_24 CD_AB42_31 1 0.000000e+00 4.705090e-06 ; 3.205352e-01 -4.705090e-06 1.229952e-02 7.850674e-03 0.000485 0.000060 True native_MD 7 226 276 + C_AB42_24 CB_AB42_31 1 0.000000e+00 1.290658e-05 ; 3.486550e-01 -1.290658e-05 1.418411e-02 3.058229e-03 0.000485 0.000060 True native_MD 7 226 273 + C_AB42_24 CG1_AB42_31 1 0.000000e+00 6.299954e-06 ; 3.284277e-01 -6.299954e-06 9.356750e-03 4.004522e-03 0.000485 0.000060 True native_MD 7 226 274 + C_AB42_24 CG2_AB42_31 1 0.000000e+00 4.689041e-06 ; 3.204439e-01 -4.689041e-06 1.212363e-02 4.291860e-03 0.000485 0.000060 True native_MD 7 226 275 + C_AB42_24 CD_AB42_31 1 0.000000e+00 4.705028e-06 ; 3.205348e-01 -4.705028e-06 1.229952e-02 7.850674e-03 0.000485 0.000060 True native_MD 7 226 276 C_AB42_24 C_AB42_31 1 2.242869e-03 1.240170e-05 ; 4.205131e-01 1.014067e-01 1.241746e-03 4.766403e-05 0.000485 0.002166 True native_MD 7 226 277 C_AB42_24 O_AB42_31 1 4.800744e-04 6.244582e-07 ; 3.303942e-01 9.226855e-02 9.446415e-04 3.371621e-04 0.000485 0.002166 True native_MD 7 226 278 C_AB42_24 N_AB42_32 1 1.249165e-03 3.775432e-06 ; 3.802400e-01 1.033267e-01 1.315184e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 226 279 @@ -44088,7 +44088,7 @@ CG2_AB42_24 O2_AB42_42 1 0.000000e+00 1.214195e-06 ; 2.863205e-01 -1.214195 C_AB42_24 CB_AB42_32 1 1.622121e-03 7.526334e-06 ; 4.083978e-01 8.740236e-02 2.315691e-02 1.693329e-03 0.000485 0.000060 True native_MD 7 226 282 C_AB42_24 CG1_AB42_32 1 1.550963e-03 6.359300e-06 ; 4.000688e-01 9.456569e-02 2.162749e-02 1.276343e-03 0.000485 0.000060 True native_MD 7 226 283 C_AB42_24 CG2_AB42_32 1 6.722023e-04 1.533356e-06 ; 3.628194e-01 7.367108e-02 2.069589e-02 2.282473e-03 0.000485 0.000060 True native_MD 7 226 284 - C_AB42_24 CD_AB42_32 1 0.000000e+00 4.624234e-06 ; 3.200725e-01 -4.624234e-06 2.489290e-02 3.335816e-03 0.000485 0.000060 True native_MD 7 226 285 + C_AB42_24 CD_AB42_32 1 0.000000e+00 4.624174e-06 ; 3.200721e-01 -4.624174e-06 2.489290e-02 3.335816e-03 0.000485 0.000060 True native_MD 7 226 285 C_AB42_24 C_AB42_32 1 2.892970e-03 1.527717e-05 ; 4.173014e-01 1.369572e-01 3.598074e-03 2.615103e-04 0.000485 0.002166 True native_MD 7 226 286 C_AB42_24 O_AB42_32 1 6.678865e-04 7.610832e-07 ; 3.231878e-01 1.465255e-01 4.791005e-03 3.985587e-04 0.000485 0.002166 True native_MD 7 226 287 C_AB42_24 N_AB42_33 1 1.719697e-03 6.785773e-06 ; 3.975190e-01 1.089543e-01 1.556420e-03 3.083282e-04 0.000485 0.002166 True native_MD 7 226 288 @@ -44098,16 +44098,16 @@ CG2_AB42_24 O2_AB42_42 1 0.000000e+00 1.214195e-06 ; 2.863205e-01 -1.214195 C_AB42_24 N_AB42_34 1 1.239341e-03 3.545967e-06 ; 3.767824e-01 1.082896e-01 1.525764e-03 2.220721e-06 0.000485 0.002166 True native_MD 7 226 293 C_AB42_24 CA_AB42_34 1 2.205171e-03 8.115838e-06 ; 3.929300e-01 1.497929e-01 5.283140e-03 1.573031e-04 0.000485 0.001339 True native_MD 7 226 295 C_AB42_24 CB_AB42_34 1 2.437310e-03 1.497300e-05 ; 4.279566e-01 9.918651e-02 2.629336e-03 1.351301e-04 0.000485 0.000060 True native_MD 7 226 296 - C_AB42_24 CG_AB42_34 1 0.000000e+00 1.298466e-05 ; 3.488303e-01 -1.298466e-05 6.605568e-03 1.456614e-03 0.000485 0.000060 True native_MD 7 226 297 - C_AB42_24 CD1_AB42_34 1 0.000000e+00 4.691305e-06 ; 3.204568e-01 -4.691305e-06 8.972082e-03 1.606411e-03 0.000485 0.000060 True native_MD 7 226 298 - C_AB42_24 CD2_AB42_34 1 0.000000e+00 4.702776e-06 ; 3.205220e-01 -4.702776e-06 6.537233e-03 1.598782e-03 0.000485 0.000060 True native_MD 7 226 299 + C_AB42_24 CG_AB42_34 1 0.000000e+00 1.298459e-05 ; 3.488302e-01 -1.298459e-05 6.605568e-03 1.456614e-03 0.000485 0.000060 True native_MD 7 226 297 + C_AB42_24 CD1_AB42_34 1 0.000000e+00 4.691243e-06 ; 3.204564e-01 -4.691243e-06 8.972082e-03 1.606411e-03 0.000485 0.000060 True native_MD 7 226 298 + C_AB42_24 CD2_AB42_34 1 0.000000e+00 4.702715e-06 ; 3.205217e-01 -4.702715e-06 6.537233e-03 1.598782e-03 0.000485 0.000060 True native_MD 7 226 299 C_AB42_24 C_AB42_34 1 1.689240e-03 7.394037e-06 ; 4.044502e-01 9.648081e-02 1.071550e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 226 300 C_AB42_24 O_AB42_34 1 4.482872e-04 4.935662e-07 ; 3.213400e-01 1.017905e-01 1.256090e-03 1.716160e-04 0.000485 0.002166 True native_MD 7 226 301 C_AB42_24 CA_AB42_35 1 1.886175e-03 7.671748e-06 ; 3.995324e-01 1.159337e-01 1.917942e-03 1.833629e-04 0.000485 0.001339 True native_MD 7 226 304 C_AB42_24 CB_AB42_35 1 1.366589e-03 5.826370e-06 ; 4.026800e-01 8.013413e-02 3.029623e-03 2.753671e-04 0.000485 0.000060 True native_MD 7 226 305 - C_AB42_24 CG_AB42_35 1 0.000000e+00 6.320994e-06 ; 3.285190e-01 -6.320994e-06 2.581114e-03 5.339242e-04 0.000485 0.000060 True native_MD 7 226 306 + C_AB42_24 CG_AB42_35 1 0.000000e+00 6.320888e-06 ; 3.285185e-01 -6.320888e-06 2.581114e-03 5.339242e-04 0.000485 0.000060 True native_MD 7 226 306 C_AB42_24 SD_AB42_35 1 1.426344e-03 3.319751e-06 ; 3.640381e-01 1.532085e-01 5.851718e-03 8.101680e-04 0.000485 0.002166 True native_MD 7 226 307 - C_AB42_24 CE_AB42_35 1 0.000000e+00 4.696553e-06 ; 3.204866e-01 -4.696553e-06 7.775146e-03 1.520056e-03 0.000485 0.000060 True native_MD 7 226 308 + C_AB42_24 CE_AB42_35 1 0.000000e+00 4.696492e-06 ; 3.204863e-01 -4.696492e-06 7.775146e-03 1.520056e-03 0.000485 0.000060 True native_MD 7 226 308 C_AB42_24 C_AB42_35 1 1.306796e-03 4.768546e-06 ; 3.923705e-01 8.953024e-02 8.703183e-04 1.904730e-05 0.000485 0.002166 True native_MD 7 226 309 C_AB42_24 O_AB42_35 1 5.328204e-04 7.395136e-07 ; 3.339855e-01 9.597442e-02 1.055434e-03 4.905079e-05 0.000485 0.002166 True native_MD 7 226 310 C_AB42_24 CA_AB42_36 1 3.608708e-03 2.533792e-05 ; 4.375925e-01 1.284909e-01 2.792780e-03 1.312871e-04 0.000485 0.001339 True native_MD 7 226 313 @@ -44125,7 +44125,7 @@ CG2_AB42_24 O2_AB42_42 1 0.000000e+00 1.214195e-06 ; 2.863205e-01 -1.214195 C_AB42_24 N_AB42_39 1 1.049198e-03 3.485224e-06 ; 3.862741e-01 7.896304e-02 6.343658e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 226 329 C_AB42_24 CA_AB42_39 1 3.761928e-03 3.253468e-05 ; 4.530603e-01 1.087463e-01 1.546759e-03 1.479649e-04 0.000485 0.001339 True native_MD 7 226 331 C_AB42_24 CB_AB42_39 1 1.787142e-03 1.076370e-05 ; 4.265472e-01 7.418170e-02 3.200107e-03 3.475760e-04 0.000485 0.000060 True native_MD 7 226 332 - C_AB42_24 CG1_AB42_39 1 0.000000e+00 4.718802e-06 ; 3.206129e-01 -4.718802e-06 2.045013e-03 4.976077e-04 0.000485 0.000060 True native_MD 7 226 333 + C_AB42_24 CG1_AB42_39 1 0.000000e+00 4.718741e-06 ; 3.206125e-01 -4.718741e-06 2.045013e-03 4.976077e-04 0.000485 0.000060 True native_MD 7 226 333 C_AB42_24 CG2_AB42_39 1 1.291670e-03 4.677124e-06 ; 3.918663e-01 8.917939e-02 3.637472e-03 2.522115e-04 0.000485 0.000060 True native_MD 7 226 334 C_AB42_24 C_AB42_39 1 1.696135e-03 8.590022e-06 ; 4.144024e-01 8.372723e-02 7.315743e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 226 335 C_AB42_24 O_AB42_39 1 4.185639e-04 4.598986e-07 ; 3.212305e-01 9.523607e-02 1.032369e-03 6.948236e-05 0.000485 0.002166 True native_MD 7 226 336 @@ -44136,22 +44136,22 @@ CG2_AB42_24 O2_AB42_42 1 0.000000e+00 1.214195e-06 ; 2.863205e-01 -1.214195 C_AB42_24 C_AB42_40 1 2.346367e-03 1.304804e-05 ; 4.209122e-01 1.054840e-01 1.402892e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 226 343 C_AB42_24 O_AB42_40 1 5.154605e-04 5.630454e-07 ; 3.209160e-01 1.179743e-01 2.038713e-03 2.345653e-05 0.000485 0.002166 True native_MD 7 226 344 C_AB42_24 CA_AB42_41 1 3.397449e-03 2.611328e-05 ; 4.442404e-01 1.105057e-01 1.630381e-03 1.709120e-04 0.000485 0.001339 True native_MD 7 226 347 - C_AB42_24 CB_AB42_41 1 0.000000e+00 1.302907e-05 ; 3.489296e-01 -1.302907e-05 1.992479e-03 2.457253e-04 0.000485 0.000060 True native_MD 7 226 348 + C_AB42_24 CB_AB42_41 1 0.000000e+00 1.302900e-05 ; 3.489294e-01 -1.302900e-05 1.992479e-03 2.457253e-04 0.000485 0.000060 True native_MD 7 226 348 C_AB42_24 CG1_AB42_41 1 9.829394e-04 3.336528e-06 ; 3.876692e-01 7.239336e-02 2.098536e-03 2.404607e-04 0.000485 0.000060 True native_MD 7 226 349 - C_AB42_24 CG2_AB42_41 1 0.000000e+00 4.720770e-06 ; 3.206240e-01 -4.720770e-06 1.483693e-03 3.525211e-04 0.000485 0.000060 True native_MD 7 226 350 - C_AB42_24 CD_AB42_41 1 0.000000e+00 4.714047e-06 ; 3.205860e-01 -4.714047e-06 3.157365e-03 6.038164e-04 0.000485 0.000060 True native_MD 7 226 351 + C_AB42_24 CG2_AB42_41 1 0.000000e+00 4.720708e-06 ; 3.206237e-01 -4.720708e-06 1.483693e-03 3.525211e-04 0.000485 0.000060 True native_MD 7 226 350 + C_AB42_24 CD_AB42_41 1 0.000000e+00 4.713986e-06 ; 3.205856e-01 -4.713986e-06 3.157365e-03 6.038164e-04 0.000485 0.000060 True native_MD 7 226 351 C_AB42_24 C_AB42_41 1 1.860157e-03 1.016053e-05 ; 4.196570e-01 8.513794e-02 7.631201e-04 4.746492e-05 0.000485 0.002166 True native_MD 7 226 352 C_AB42_24 O_AB42_41 1 5.083902e-04 6.281424e-07 ; 3.275745e-01 1.028671e-01 1.297216e-03 2.690458e-04 0.000485 0.002166 True native_MD 7 226 353 C_AB42_24 CA_AB42_42 1 3.954371e-03 2.995654e-05 ; 4.431687e-01 1.304978e-01 2.965649e-03 4.182913e-04 0.000485 0.001339 True native_MD 7 226 356 - C_AB42_24 CB_AB42_42 1 0.000000e+00 4.712795e-06 ; 3.205789e-01 -4.712795e-06 3.323257e-03 5.046456e-04 0.000485 0.000060 True native_MD 7 226 357 + C_AB42_24 CB_AB42_42 1 0.000000e+00 4.712733e-06 ; 3.205785e-01 -4.712733e-06 3.323257e-03 5.046456e-04 0.000485 0.000060 True native_MD 7 226 357 O_AB42_24 O_AB42_24 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 227 227 O_AB42_24 H_AB42_25 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 227 229 O_AB42_24 CA_AB42_25 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 227 230 - O_AB42_24 C_AB42_25 1 0.000000e+00 8.252528e-07 ; 2.772536e-01 -8.252528e-07 9.999812e-01 9.979375e-01 0.000485 0.000060 True native_MD 4 227 231 + O_AB42_24 C_AB42_25 1 0.000000e+00 8.252490e-07 ; 2.772535e-01 -8.252490e-07 9.999812e-01 9.979375e-01 0.000485 0.000060 True native_MD 4 227 231 O_AB42_24 O_AB42_25 1 0.000000e+00 1.142714e-06 ; 2.848764e-01 -1.142714e-06 9.530473e-01 7.148565e-01 0.000485 0.000060 True native_MD 5 227 232 O_AB42_24 N_AB42_26 1 0.000000e+00 1.382987e-06 ; 2.894431e-01 -1.382987e-06 9.539700e-01 8.759613e-01 0.000485 0.000060 True native_MD 5 227 233 - O_AB42_24 H_AB42_26 1 0.000000e+00 1.419055e-08 ; 1.976188e-01 -1.419055e-08 3.087631e-01 2.233269e-01 0.000485 0.000060 True native_MD 6 227 234 - O_AB42_24 CA_AB42_26 1 0.000000e+00 2.927248e-06 ; 3.081059e-01 -2.927248e-06 7.348320e-01 4.395995e-01 0.000485 0.000060 True native_MD 6 227 235 + O_AB42_24 H_AB42_26 1 0.000000e+00 1.419078e-08 ; 1.976191e-01 -1.419078e-08 3.087631e-01 2.233269e-01 0.000485 0.000060 True native_MD 6 227 234 + O_AB42_24 CA_AB42_26 1 0.000000e+00 2.927271e-06 ; 3.081061e-01 -2.927271e-06 7.348320e-01 4.395995e-01 0.000485 0.000060 True native_MD 6 227 235 O_AB42_24 CB_AB42_26 1 1.293284e-03 3.737103e-06 ; 3.774043e-01 1.118904e-01 1.319277e-01 9.242718e-02 0.000485 0.001191 True native_MD 7 227 236 O_AB42_24 OG_AB42_26 1 2.686706e-04 1.765528e-07 ; 2.948554e-01 1.022129e-01 2.358729e-02 4.016503e-02 0.000485 0.002166 True native_MD 7 227 237 O_AB42_24 C_AB42_26 1 1.517780e-03 3.431096e-06 ; 3.622742e-01 1.678512e-01 1.544579e-01 3.688844e-02 0.000485 0.002166 True native_MD 7 227 238 @@ -44267,27 +44267,27 @@ CG2_AB42_24 O2_AB42_42 1 0.000000e+00 1.214195e-06 ; 2.863205e-01 -1.214195 O_AB42_24 CB_AB42_42 1 4.226745e-04 3.684912e-07 ; 3.090795e-01 1.212062e-01 2.245744e-03 4.827918e-04 0.000485 0.001191 True native_MD 7 227 357 O_AB42_24 O1_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 227 359 O_AB42_24 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 227 360 - N_AB42_25 CA_AB42_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 228 230 - N_AB42_25 CA_AB42_26 1 0.000000e+00 7.574953e-06 ; 3.335109e-01 -7.574953e-06 1.000000e+00 9.999945e-01 0.000485 0.000060 True native_MD 4 228 235 - N_AB42_25 CB_AB42_26 1 0.000000e+00 3.799935e-06 ; 3.148785e-01 -3.799935e-06 6.275123e-01 6.612040e-01 0.000485 0.000060 True native_MD 5 228 236 - N_AB42_25 OG_AB42_26 1 0.000000e+00 6.895865e-07 ; 2.731350e-01 -6.895865e-07 1.205424e-02 5.252014e-02 0.000485 0.000060 True native_MD 6 228 237 - N_AB42_25 C_AB42_26 1 0.000000e+00 1.410041e-06 ; 2.899107e-01 -1.410041e-06 1.556855e-01 9.063377e-02 0.000485 0.000060 True native_MD 5 228 238 + N_AB42_25 CA_AB42_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 228 230 + N_AB42_25 CA_AB42_26 1 0.000000e+00 7.574941e-06 ; 3.335108e-01 -7.574941e-06 1.000000e+00 9.999945e-01 0.000485 0.000060 True native_MD 4 228 235 + N_AB42_25 CB_AB42_26 1 0.000000e+00 3.799885e-06 ; 3.148782e-01 -3.799885e-06 6.275123e-01 6.612040e-01 0.000485 0.000060 True native_MD 5 228 236 + N_AB42_25 OG_AB42_26 1 0.000000e+00 6.895781e-07 ; 2.731347e-01 -6.895781e-07 1.205424e-02 5.252014e-02 0.000485 0.000060 True native_MD 6 228 237 + N_AB42_25 C_AB42_26 1 0.000000e+00 1.410021e-06 ; 2.899104e-01 -1.410021e-06 1.556855e-01 9.063377e-02 0.000485 0.000060 True native_MD 5 228 238 N_AB42_25 O_AB42_26 1 0.000000e+00 1.416393e-06 ; 2.900194e-01 -1.416393e-06 1.679342e-01 1.121962e-01 0.000485 0.000060 True native_MD 6 228 239 - N_AB42_25 N_AB42_27 1 0.000000e+00 8.437525e-07 ; 2.777663e-01 -8.437525e-07 1.533116e-01 1.172763e-01 0.000485 0.000060 True native_MD 6 228 240 + N_AB42_25 N_AB42_27 1 0.000000e+00 8.437437e-07 ; 2.777661e-01 -8.437437e-07 1.533116e-01 1.172763e-01 0.000485 0.000060 True native_MD 6 228 240 N_AB42_25 CA_AB42_27 1 5.000190e-03 4.898635e-05 ; 4.625742e-01 1.275963e-01 1.092113e-01 5.377547e-02 0.000485 0.001339 True native_MD 7 228 242 - N_AB42_25 CB_AB42_27 1 0.000000e+00 3.668052e-06 ; 3.139530e-01 -3.668052e-06 1.540223e-02 1.321793e-02 0.000485 0.000060 True native_MD 7 228 243 + N_AB42_25 CB_AB42_27 1 0.000000e+00 3.668004e-06 ; 3.139526e-01 -3.668004e-06 1.540223e-02 1.321793e-02 0.000485 0.000060 True native_MD 7 228 243 N_AB42_25 CG_AB42_27 1 1.047779e-03 1.957914e-06 ; 3.509571e-01 1.401799e-01 1.602403e-02 8.759561e-03 0.000485 0.002166 True native_MD 7 228 244 N_AB42_25 OD1_AB42_27 1 1.430119e-04 4.104463e-08 ; 2.568310e-01 1.245742e-01 3.101795e-02 2.704937e-02 0.000485 0.002166 True native_MD 7 228 245 N_AB42_25 ND2_AB42_27 1 1.185858e-03 2.582914e-06 ; 3.600362e-01 1.361117e-01 4.593019e-02 2.835923e-02 0.000485 0.002166 True native_MD 7 228 246 N_AB42_25 C_AB42_27 1 9.749084e-04 2.226676e-06 ; 3.628960e-01 1.067114e-01 1.455377e-03 2.059305e-03 0.000485 0.002166 True native_MD 7 228 247 N_AB42_25 O_AB42_27 1 1.616689e-04 6.506197e-08 ; 2.717170e-01 1.004306e-01 1.212548e-02 2.177858e-02 0.000485 0.002166 True native_MD 7 228 248 - N_AB42_25 N_AB42_28 1 0.000000e+00 8.715891e-07 ; 2.785187e-01 -8.715891e-07 6.934385e-03 2.701642e-03 0.000485 0.000060 True native_MD 7 228 249 + N_AB42_25 N_AB42_28 1 0.000000e+00 8.715800e-07 ; 2.785184e-01 -8.715800e-07 6.934385e-03 2.701642e-03 0.000485 0.000060 True native_MD 7 228 249 N_AB42_25 CA_AB42_28 1 4.704056e-03 3.546765e-05 ; 4.428194e-01 1.559741e-01 6.561954e-02 1.382079e-02 0.000485 0.001339 True native_MD 7 228 251 - N_AB42_25 CB_AB42_28 1 0.000000e+00 3.542692e-06 ; 3.130445e-01 -3.542692e-06 6.047464e-02 2.418878e-02 0.000485 0.000060 True native_MD 7 228 252 - N_AB42_25 CG_AB42_28 1 0.000000e+00 3.531193e-06 ; 3.129597e-01 -3.531193e-06 6.244463e-02 2.303065e-02 0.000485 0.000060 True native_MD 7 228 253 - N_AB42_25 CD_AB42_28 1 0.000000e+00 3.589757e-06 ; 3.133890e-01 -3.589757e-06 4.433890e-02 2.085602e-02 0.000485 0.000060 True native_MD 7 228 254 - N_AB42_25 CE_AB42_28 1 0.000000e+00 3.585025e-06 ; 3.133546e-01 -3.585025e-06 4.323283e-02 1.846268e-02 0.000485 0.000060 True native_MD 7 228 255 - N_AB42_25 NZ_AB42_28 1 0.000000e+00 8.702364e-07 ; 2.784826e-01 -8.702364e-07 1.184975e-02 6.071608e-03 0.000485 0.000060 True native_MD 7 228 256 + N_AB42_25 CB_AB42_28 1 0.000000e+00 3.542645e-06 ; 3.130442e-01 -3.542645e-06 6.047464e-02 2.418878e-02 0.000485 0.000060 True native_MD 7 228 252 + N_AB42_25 CG_AB42_28 1 0.000000e+00 3.531146e-06 ; 3.129594e-01 -3.531146e-06 6.244463e-02 2.303065e-02 0.000485 0.000060 True native_MD 7 228 253 + N_AB42_25 CD_AB42_28 1 0.000000e+00 3.589709e-06 ; 3.133887e-01 -3.589709e-06 4.433890e-02 2.085602e-02 0.000485 0.000060 True native_MD 7 228 254 + N_AB42_25 CE_AB42_28 1 0.000000e+00 3.584977e-06 ; 3.133542e-01 -3.584977e-06 4.323283e-02 1.846268e-02 0.000485 0.000060 True native_MD 7 228 255 + N_AB42_25 NZ_AB42_28 1 0.000000e+00 8.702273e-07 ; 2.784824e-01 -8.702273e-07 1.184975e-02 6.071608e-03 0.000485 0.000060 True native_MD 7 228 256 N_AB42_25 C_AB42_28 1 1.551974e-03 3.335631e-06 ; 3.592380e-01 1.805224e-01 1.325173e-02 1.839718e-03 0.000485 0.002166 True native_MD 7 228 257 N_AB42_25 O_AB42_28 1 1.383929e-04 3.409733e-08 ; 2.503808e-01 1.404259e-01 1.207516e-02 6.552660e-03 0.000485 0.002166 True native_MD 7 228 258 N_AB42_25 N_AB42_29 1 5.389228e-04 9.292019e-07 ; 3.462825e-01 7.814174e-02 2.065315e-02 1.992527e-03 0.000485 0.000060 True native_MD 7 228 259 @@ -44296,15 +44296,15 @@ CG2_AB42_24 O2_AB42_42 1 0.000000e+00 1.214195e-06 ; 2.863205e-01 -1.214195 N_AB42_25 O_AB42_29 1 2.109456e-04 5.531923e-08 ; 2.529983e-01 2.010966e-01 2.452839e-02 1.679299e-03 0.000485 0.002166 True native_MD 7 228 263 N_AB42_25 N_AB42_30 1 1.131059e-03 2.520759e-06 ; 3.614162e-01 1.268760e-01 1.218378e-02 2.734116e-04 0.000485 0.000060 True native_MD 7 228 264 N_AB42_25 CA_AB42_30 1 2.763802e-03 1.111041e-05 ; 3.987529e-01 1.718794e-01 3.579819e-02 4.684306e-03 0.000485 0.001339 True native_MD 7 228 266 - N_AB42_25 CB_AB42_30 1 0.000000e+00 2.650626e-06 ; 3.055677e-01 -2.650626e-06 4.456212e-02 1.091201e-02 0.000485 0.000060 True native_MD 7 228 267 + N_AB42_25 CB_AB42_30 1 0.000000e+00 2.650601e-06 ; 3.055674e-01 -2.650601e-06 4.456212e-02 1.091201e-02 0.000485 0.000060 True native_MD 7 228 267 N_AB42_25 C_AB42_30 1 9.972150e-04 1.547829e-06 ; 3.402690e-01 1.606182e-01 7.304402e-03 3.134749e-04 0.000485 0.002166 True native_MD 7 228 268 N_AB42_25 O_AB42_30 1 1.666604e-04 4.108822e-08 ; 2.504076e-01 1.690004e-01 9.386972e-03 1.945518e-03 0.000485 0.002166 True native_MD 7 228 269 N_AB42_25 N_AB42_31 1 6.641248e-04 9.788193e-07 ; 3.373459e-01 1.126515e-01 1.738510e-03 0.000000e+00 0.000485 0.000060 True native_MD 7 228 270 N_AB42_25 CA_AB42_31 1 1.705108e-03 4.443803e-06 ; 3.709658e-01 1.635644e-01 7.977654e-03 9.469927e-04 0.000485 0.001339 True native_MD 7 228 272 - N_AB42_25 CB_AB42_31 1 0.000000e+00 7.518506e-06 ; 3.333031e-01 -7.518506e-06 1.064139e-02 3.184101e-03 0.000485 0.000060 True native_MD 7 228 273 - N_AB42_25 CG1_AB42_31 1 0.000000e+00 3.665558e-06 ; 3.139352e-01 -3.665558e-06 6.540895e-03 3.678188e-03 0.000485 0.000060 True native_MD 7 228 274 - N_AB42_25 CG2_AB42_31 1 0.000000e+00 2.724568e-06 ; 3.062691e-01 -2.724568e-06 1.075238e-02 4.059644e-03 0.000485 0.000060 True native_MD 7 228 275 - N_AB42_25 CD_AB42_31 1 0.000000e+00 2.736662e-06 ; 3.063821e-01 -2.736662e-06 9.130274e-03 6.846504e-03 0.000485 0.000060 True native_MD 7 228 276 + N_AB42_25 CB_AB42_31 1 0.000000e+00 7.518494e-06 ; 3.333030e-01 -7.518494e-06 1.064139e-02 3.184101e-03 0.000485 0.000060 True native_MD 7 228 273 + N_AB42_25 CG1_AB42_31 1 0.000000e+00 3.665510e-06 ; 3.139349e-01 -3.665510e-06 6.540895e-03 3.678188e-03 0.000485 0.000060 True native_MD 7 228 274 + N_AB42_25 CG2_AB42_31 1 0.000000e+00 2.724543e-06 ; 3.062688e-01 -2.724543e-06 1.075238e-02 4.059644e-03 0.000485 0.000060 True native_MD 7 228 275 + N_AB42_25 CD_AB42_31 1 0.000000e+00 2.736636e-06 ; 3.063819e-01 -2.736636e-06 9.130274e-03 6.846504e-03 0.000485 0.000060 True native_MD 7 228 276 N_AB42_25 C_AB42_31 1 8.833053e-04 1.908636e-06 ; 3.595578e-01 1.021971e-01 1.271466e-03 2.897514e-06 0.000485 0.002166 True native_MD 7 228 277 N_AB42_25 O_AB42_31 1 1.638651e-04 5.678445e-08 ; 2.650272e-01 1.182180e-01 2.053635e-03 9.339252e-04 0.000485 0.002166 True native_MD 7 228 278 N_AB42_25 N_AB42_32 1 1.025268e-03 3.072863e-06 ; 3.797091e-01 8.552081e-02 7.719140e-04 9.984577e-07 0.000485 0.000060 True native_MD 7 228 279 @@ -44322,17 +44322,17 @@ CG2_AB42_24 O2_AB42_42 1 0.000000e+00 1.214195e-06 ; 2.863205e-01 -1.214195 N_AB42_25 N_AB42_34 1 6.144157e-04 7.396818e-07 ; 3.261598e-01 1.275909e-01 2.718566e-03 2.815698e-05 0.000485 0.000060 True native_MD 7 228 293 N_AB42_25 CA_AB42_34 1 1.580683e-03 4.166709e-06 ; 3.716705e-01 1.499120e-01 5.302006e-03 2.173203e-04 0.000485 0.001339 True native_MD 7 228 295 N_AB42_25 CB_AB42_34 1 1.526647e-03 5.159928e-06 ; 3.873922e-01 1.129207e-01 3.004805e-03 1.023819e-04 0.000485 0.000060 True native_MD 7 228 296 - N_AB42_25 CG_AB42_34 1 0.000000e+00 7.541177e-06 ; 3.333867e-01 -7.541177e-06 5.669803e-03 1.205446e-03 0.000485 0.000060 True native_MD 7 228 297 - N_AB42_25 CD1_AB42_34 1 0.000000e+00 2.731571e-06 ; 3.063346e-01 -2.731571e-06 5.423664e-03 1.283945e-03 0.000485 0.000060 True native_MD 7 228 298 - N_AB42_25 CD2_AB42_34 1 0.000000e+00 2.732110e-06 ; 3.063396e-01 -2.732110e-06 5.163563e-03 1.220388e-03 0.000485 0.000060 True native_MD 7 228 299 + N_AB42_25 CG_AB42_34 1 0.000000e+00 7.541166e-06 ; 3.333867e-01 -7.541166e-06 5.669803e-03 1.205446e-03 0.000485 0.000060 True native_MD 7 228 297 + N_AB42_25 CD1_AB42_34 1 0.000000e+00 2.731545e-06 ; 3.063344e-01 -2.731545e-06 5.423664e-03 1.283945e-03 0.000485 0.000060 True native_MD 7 228 298 + N_AB42_25 CD2_AB42_34 1 0.000000e+00 2.732084e-06 ; 3.063394e-01 -2.732084e-06 5.163563e-03 1.220388e-03 0.000485 0.000060 True native_MD 7 228 299 N_AB42_25 C_AB42_34 1 6.427461e-04 9.736845e-07 ; 3.388934e-01 1.060720e-01 1.427794e-03 2.778959e-05 0.000485 0.002166 True native_MD 7 228 300 N_AB42_25 O_AB42_34 1 1.013615e-04 2.309158e-08 ; 2.471326e-01 1.112327e-01 1.666242e-03 3.320941e-04 0.000485 0.002166 True native_MD 7 228 301 N_AB42_25 N_AB42_35 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 3.124029e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 228 302 N_AB42_25 CA_AB42_35 1 2.033559e-03 8.146401e-06 ; 3.985213e-01 1.269076e-01 2.663542e-03 1.115494e-04 0.000485 0.001339 True native_MD 7 228 304 N_AB42_25 CB_AB42_35 1 6.150315e-04 1.097391e-06 ; 3.482657e-01 8.617342e-02 3.280897e-03 2.489003e-04 0.000485 0.000060 True native_MD 7 228 305 - N_AB42_25 CG_AB42_35 1 0.000000e+00 3.666268e-06 ; 3.139403e-01 -3.666268e-06 3.134215e-03 4.646641e-04 0.000485 0.000060 True native_MD 7 228 306 + N_AB42_25 CG_AB42_35 1 0.000000e+00 3.666220e-06 ; 3.139399e-01 -3.666220e-06 3.134215e-03 4.646641e-04 0.000485 0.000060 True native_MD 7 228 306 N_AB42_25 SD_AB42_35 1 7.376323e-04 8.786593e-07 ; 3.255843e-01 1.548101e-01 6.139019e-03 5.126114e-04 0.000485 0.002166 True native_MD 7 228 307 - N_AB42_25 CE_AB42_35 1 0.000000e+00 2.727084e-06 ; 3.062926e-01 -2.727084e-06 7.012713e-03 1.237052e-03 0.000485 0.000060 True native_MD 7 228 308 + N_AB42_25 CE_AB42_35 1 0.000000e+00 2.727058e-06 ; 3.062924e-01 -2.727058e-06 7.012713e-03 1.237052e-03 0.000485 0.000060 True native_MD 7 228 308 N_AB42_25 C_AB42_35 1 5.685052e-04 8.098380e-07 ; 3.354367e-01 9.977247e-02 1.182478e-03 3.858788e-05 0.000485 0.002166 True native_MD 7 228 309 N_AB42_25 O_AB42_35 1 1.451432e-04 4.739275e-08 ; 2.624133e-01 1.111274e-01 1.661000e-03 1.499681e-04 0.000485 0.002166 True native_MD 7 228 310 N_AB42_25 N_AB42_36 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.645924e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 228 311 @@ -44353,7 +44353,7 @@ CG2_AB42_24 O2_AB42_42 1 0.000000e+00 1.214195e-06 ; 2.863205e-01 -1.214195 N_AB42_25 N_AB42_39 1 5.600522e-04 1.080536e-06 ; 3.528324e-01 7.257009e-02 5.239052e-04 2.174790e-05 0.000485 0.000060 True native_MD 7 228 329 N_AB42_25 CA_AB42_39 1 3.081467e-03 1.940517e-05 ; 4.297277e-01 1.223313e-01 2.322645e-03 1.413786e-04 0.000485 0.001339 True native_MD 7 228 331 N_AB42_25 CB_AB42_39 1 1.613640e-03 9.054821e-06 ; 4.215465e-01 7.189082e-02 2.603147e-03 3.028013e-04 0.000485 0.000060 True native_MD 7 228 332 - N_AB42_25 CG1_AB42_39 1 0.000000e+00 2.739956e-06 ; 3.064128e-01 -2.739956e-06 1.527806e-03 4.448996e-04 0.000485 0.000060 True native_MD 7 228 333 + N_AB42_25 CG1_AB42_39 1 0.000000e+00 2.739930e-06 ; 3.064126e-01 -2.739930e-06 1.527806e-03 4.448996e-04 0.000485 0.000060 True native_MD 7 228 333 N_AB42_25 CG2_AB42_39 1 7.057633e-04 1.317467e-06 ; 3.508974e-01 9.451882e-02 3.432442e-03 2.028494e-04 0.000485 0.000060 True native_MD 7 228 334 N_AB42_25 C_AB42_39 1 5.608155e-04 8.458508e-07 ; 3.386457e-01 9.295789e-02 9.643312e-04 1.483232e-06 0.000485 0.002166 True native_MD 7 228 335 N_AB42_25 O_AB42_39 1 1.289330e-04 3.593501e-08 ; 2.555792e-01 1.156514e-01 1.901804e-03 2.510507e-04 0.000485 0.002166 True native_MD 7 228 336 @@ -44368,8 +44368,8 @@ CG2_AB42_24 O2_AB42_42 1 0.000000e+00 1.214195e-06 ; 2.863205e-01 -1.214195 N_AB42_25 CA_AB42_41 1 2.432653e-03 1.189426e-05 ; 4.119801e-01 1.243835e-01 2.469759e-03 1.000538e-04 0.000485 0.001339 True native_MD 7 228 347 N_AB42_25 CB_AB42_41 1 1.721970e-03 6.381836e-06 ; 3.933870e-01 1.161570e-01 2.814035e-03 8.703137e-05 0.000485 0.000060 True native_MD 7 228 348 N_AB42_25 CG1_AB42_41 1 8.968553e-04 2.317692e-06 ; 3.704437e-01 8.676190e-02 2.190576e-03 1.632837e-04 0.000485 0.000060 True native_MD 7 228 349 - N_AB42_25 CG2_AB42_41 1 0.000000e+00 2.738933e-06 ; 3.064033e-01 -2.738933e-06 1.832592e-03 3.766826e-04 0.000485 0.000060 True native_MD 7 228 350 - N_AB42_25 CD_AB42_41 1 0.000000e+00 2.736274e-06 ; 3.063785e-01 -2.736274e-06 2.996671e-03 5.716337e-04 0.000485 0.000060 True native_MD 7 228 351 + N_AB42_25 CG2_AB42_41 1 0.000000e+00 2.738907e-06 ; 3.064031e-01 -2.738907e-06 1.832592e-03 3.766826e-04 0.000485 0.000060 True native_MD 7 228 350 + N_AB42_25 CD_AB42_41 1 0.000000e+00 2.736249e-06 ; 3.063783e-01 -2.736249e-06 2.996671e-03 5.716337e-04 0.000485 0.000060 True native_MD 7 228 351 N_AB42_25 C_AB42_41 1 7.446884e-04 1.450006e-06 ; 3.533723e-01 9.561358e-02 1.044098e-03 5.003194e-05 0.000485 0.002166 True native_MD 7 228 352 N_AB42_25 O_AB42_41 1 1.445689e-04 4.158659e-08 ; 2.569290e-01 1.256425e-01 2.564588e-03 2.446322e-04 0.000485 0.002166 True native_MD 7 228 353 N_AB42_25 N_AB42_42 1 7.553426e-04 1.884235e-06 ; 3.682690e-01 7.569948e-02 5.753397e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 228 354 @@ -44379,7 +44379,7 @@ CG2_AB42_24 O2_AB42_42 1 0.000000e+00 1.214195e-06 ; 2.863205e-01 -1.214195 N_AB42_25 O1_AB42_42 1 1.055617e-04 3.378262e-08 ; 2.615358e-01 8.246313e-02 7.044161e-04 3.270810e-04 0.000485 0.002166 True native_MD 7 228 359 N_AB42_25 O2_AB42_42 1 1.055617e-04 3.378262e-08 ; 2.615358e-01 8.246313e-02 7.044161e-04 3.270810e-04 0.000485 0.002166 True native_MD 7 228 360 H_AB42_25 H_AB42_25 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 229 - H_AB42_25 O_AB42_25 1 0.000000e+00 1.700154e-08 ; 2.006176e-01 -1.700154e-08 7.016025e-02 1.658884e-01 0.000485 0.000060 True native_MD 4 229 232 + H_AB42_25 O_AB42_25 1 0.000000e+00 1.700181e-08 ; 2.006179e-01 -1.700181e-08 7.016025e-02 1.658884e-01 0.000485 0.000060 True native_MD 4 229 232 H_AB42_25 H_AB42_26 1 0.000000e+00 1.173022e-08 ; 1.945079e-01 -1.173022e-08 7.695238e-01 7.470422e-01 0.000485 0.000060 True native_MD 5 229 234 H_AB42_25 OG_AB42_26 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 237 H_AB42_25 O_AB42_26 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 239 @@ -44417,15 +44417,15 @@ CG2_AB42_24 O2_AB42_42 1 0.000000e+00 1.214195e-06 ; 2.863205e-01 -1.214195 H_AB42_25 H_AB42_42 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 355 H_AB42_25 O1_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 359 H_AB42_25 O2_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 360 - CA_AB42_25 C_AB42_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 231 + CA_AB42_25 C_AB42_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 231 CA_AB42_25 O_AB42_25 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 232 - CA_AB42_25 N_AB42_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 233 - CA_AB42_25 CB_AB42_26 1 0.000000e+00 1.543889e-05 ; 3.538993e-01 -1.543889e-05 1.000000e+00 9.999996e-01 0.000485 0.000060 True native_MD 4 230 236 - CA_AB42_25 OG_AB42_26 1 0.000000e+00 3.176613e-06 ; 3.102121e-01 -3.176613e-06 2.462841e-01 3.875115e-01 0.000485 0.000060 True native_MD 5 230 237 - CA_AB42_25 C_AB42_26 1 0.000000e+00 6.333714e-06 ; 3.285740e-01 -6.333714e-06 9.999958e-01 9.999568e-01 0.000485 0.000060 True native_MD 4 230 238 - CA_AB42_25 O_AB42_26 1 0.000000e+00 1.607977e-06 ; 2.931017e-01 -1.607977e-06 4.180206e-01 2.157645e-01 0.000485 0.000060 True native_MD 5 230 239 - CA_AB42_25 N_AB42_27 1 0.000000e+00 4.559757e-06 ; 3.196982e-01 -4.559757e-06 4.018845e-01 6.422697e-01 0.000485 0.000060 True native_MD 5 230 240 - CA_AB42_25 CA_AB42_27 1 0.000000e+00 3.822153e-05 ; 3.816694e-01 -3.822153e-05 3.868340e-01 5.882532e-01 0.000485 0.000060 True native_MD 6 230 242 + CA_AB42_25 N_AB42_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 233 + CA_AB42_25 CB_AB42_26 1 0.000000e+00 1.543865e-05 ; 3.538988e-01 -1.543865e-05 1.000000e+00 9.999996e-01 0.000485 0.000060 True native_MD 4 230 236 + CA_AB42_25 OG_AB42_26 1 0.000000e+00 3.176565e-06 ; 3.102117e-01 -3.176565e-06 2.462841e-01 3.875115e-01 0.000485 0.000060 True native_MD 5 230 237 + CA_AB42_25 C_AB42_26 1 0.000000e+00 6.333608e-06 ; 3.285735e-01 -6.333608e-06 9.999958e-01 9.999568e-01 0.000485 0.000060 True native_MD 4 230 238 + CA_AB42_25 O_AB42_26 1 0.000000e+00 1.607972e-06 ; 2.931016e-01 -1.607972e-06 4.180206e-01 2.157645e-01 0.000485 0.000060 True native_MD 5 230 239 + CA_AB42_25 N_AB42_27 1 0.000000e+00 4.559697e-06 ; 3.196978e-01 -4.559697e-06 4.018845e-01 6.422697e-01 0.000485 0.000060 True native_MD 5 230 240 + CA_AB42_25 CA_AB42_27 1 0.000000e+00 3.822137e-05 ; 3.816693e-01 -3.822137e-05 3.868340e-01 5.882532e-01 0.000485 0.000060 True native_MD 6 230 242 CA_AB42_25 CB_AB42_27 1 4.645906e-03 6.245188e-05 ; 4.876174e-01 8.640431e-02 8.828043e-02 1.325696e-01 0.000485 0.001190 True native_MD 7 230 243 CA_AB42_25 CG_AB42_27 1 2.226461e-03 1.083226e-05 ; 4.116398e-01 1.144066e-01 7.947611e-02 6.870187e-02 0.000485 0.001584 True native_MD 7 230 244 CA_AB42_25 OD1_AB42_27 1 5.198180e-04 5.965293e-07 ; 3.235664e-01 1.132429e-01 5.032499e-02 4.504549e-02 0.000485 0.001584 True native_MD 7 230 245 @@ -44529,23 +44529,23 @@ CG2_AB42_24 O2_AB42_42 1 0.000000e+00 1.214195e-06 ; 2.863205e-01 -1.214195 CA_AB42_25 C_AB42_42 1 9.351522e-04 1.917146e-06 ; 3.564201e-01 1.140380e-01 1.812161e-03 9.578266e-04 0.000485 0.001584 True native_MD 7 230 358 CA_AB42_25 O1_AB42_42 1 4.240955e-04 4.400417e-07 ; 3.181791e-01 1.021818e-01 1.270885e-03 6.272360e-04 0.000485 0.001584 True native_MD 7 230 359 CA_AB42_25 O2_AB42_42 1 4.240955e-04 4.400417e-07 ; 3.181791e-01 1.021818e-01 1.270885e-03 6.272360e-04 0.000485 0.001584 True native_MD 7 230 360 - C_AB42_25 CB_AB42_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 236 - C_AB42_25 OG_AB42_26 1 0.000000e+00 1.302871e-06 ; 2.880073e-01 -1.302871e-06 6.126718e-01 7.535793e-01 0.000485 0.000060 True native_MD 4 231 237 - C_AB42_25 O_AB42_26 1 0.000000e+00 7.491084e-07 ; 2.750260e-01 -7.491084e-07 9.513134e-01 8.571903e-01 0.000485 0.000060 True native_MD 4 231 239 - C_AB42_25 N_AB42_27 1 0.000000e+00 1.512510e-06 ; 2.916105e-01 -1.512510e-06 9.663986e-01 9.692907e-01 0.000485 0.000060 True native_MD 4 231 240 - C_AB42_25 CA_AB42_27 1 0.000000e+00 1.334006e-05 ; 3.496162e-01 -1.334006e-05 8.503933e-01 8.724742e-01 0.000485 0.000060 True native_MD 5 231 242 - C_AB42_25 CB_AB42_27 1 0.000000e+00 6.996145e-06 ; 3.313090e-01 -6.996145e-06 1.782876e-01 2.828326e-01 0.000485 0.000060 True native_MD 6 231 243 + C_AB42_25 CB_AB42_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 236 + C_AB42_25 OG_AB42_26 1 0.000000e+00 1.302851e-06 ; 2.880069e-01 -1.302851e-06 6.126718e-01 7.535793e-01 0.000485 0.000060 True native_MD 4 231 237 + C_AB42_25 O_AB42_26 1 0.000000e+00 7.491050e-07 ; 2.750259e-01 -7.491050e-07 9.513134e-01 8.571903e-01 0.000485 0.000060 True native_MD 4 231 239 + C_AB42_25 N_AB42_27 1 0.000000e+00 1.512489e-06 ; 2.916102e-01 -1.512489e-06 9.663986e-01 9.692907e-01 0.000485 0.000060 True native_MD 4 231 240 + C_AB42_25 CA_AB42_27 1 0.000000e+00 1.333999e-05 ; 3.496160e-01 -1.333999e-05 8.503933e-01 8.724742e-01 0.000485 0.000060 True native_MD 5 231 242 + C_AB42_25 CB_AB42_27 1 0.000000e+00 6.996028e-06 ; 3.313085e-01 -6.996028e-06 1.782876e-01 2.828326e-01 0.000485 0.000060 True native_MD 6 231 243 C_AB42_25 CG_AB42_27 1 1.457857e-03 4.148861e-06 ; 3.764457e-01 1.280681e-01 1.379811e-01 1.083768e-01 0.000485 0.002166 True native_MD 7 231 244 C_AB42_25 OD1_AB42_27 1 5.377605e-04 5.660340e-07 ; 3.189400e-01 1.277248e-01 7.421065e-02 5.889195e-02 0.000485 0.002166 True native_MD 7 231 245 C_AB42_25 ND2_AB42_27 1 6.317504e-04 7.780035e-07 ; 3.273955e-01 1.282477e-01 1.459760e-01 1.140454e-01 0.000485 0.002166 True native_MD 7 231 246 - C_AB42_25 C_AB42_27 1 0.000000e+00 2.548193e-06 ; 3.045657e-01 -2.548193e-06 2.242673e-01 2.048809e-01 0.000485 0.000060 True native_MD 6 231 247 + C_AB42_25 C_AB42_27 1 0.000000e+00 2.548148e-06 ; 3.045653e-01 -2.548148e-06 2.242673e-01 2.048809e-01 0.000485 0.000060 True native_MD 6 231 247 C_AB42_25 O_AB42_27 1 5.164944e-04 7.131223e-07 ; 3.336950e-01 9.352059e-02 4.306837e-02 9.512380e-02 0.000485 0.002166 True native_MD 7 231 248 C_AB42_25 N_AB42_28 1 8.391050e-04 1.377060e-06 ; 3.434441e-01 1.278262e-01 2.513035e-01 1.988227e-01 0.000485 0.002166 True native_MD 7 231 249 C_AB42_25 CA_AB42_28 1 2.209433e-03 1.075178e-05 ; 4.116549e-01 1.135066e-01 2.792683e-01 2.096293e-01 0.000485 0.001339 True native_MD 7 231 251 - C_AB42_25 CB_AB42_28 1 0.000000e+00 6.026367e-06 ; 3.272148e-01 -6.026367e-06 2.021946e-01 1.536319e-01 0.000485 0.000060 True native_MD 7 231 252 - C_AB42_25 CG_AB42_28 1 0.000000e+00 5.632534e-06 ; 3.253771e-01 -5.632534e-06 2.239517e-01 1.132110e-01 0.000485 0.000060 True native_MD 7 231 253 - C_AB42_25 CD_AB42_28 1 0.000000e+00 5.663987e-06 ; 3.255281e-01 -5.663987e-06 1.668139e-01 6.103908e-02 0.000485 0.000060 True native_MD 7 231 254 - C_AB42_25 CE_AB42_28 1 0.000000e+00 5.676832e-06 ; 3.255896e-01 -5.676832e-06 1.467003e-01 4.295333e-02 0.000485 0.000060 True native_MD 7 231 255 + C_AB42_25 CB_AB42_28 1 0.000000e+00 6.026266e-06 ; 3.272144e-01 -6.026266e-06 2.021946e-01 1.536319e-01 0.000485 0.000060 True native_MD 7 231 252 + C_AB42_25 CG_AB42_28 1 0.000000e+00 5.632439e-06 ; 3.253766e-01 -5.632439e-06 2.239517e-01 1.132110e-01 0.000485 0.000060 True native_MD 7 231 253 + C_AB42_25 CD_AB42_28 1 0.000000e+00 5.663892e-06 ; 3.255277e-01 -5.663892e-06 1.668139e-01 6.103908e-02 0.000485 0.000060 True native_MD 7 231 254 + C_AB42_25 CE_AB42_28 1 0.000000e+00 5.676736e-06 ; 3.255891e-01 -5.676736e-06 1.467003e-01 4.295333e-02 0.000485 0.000060 True native_MD 7 231 255 C_AB42_25 NZ_AB42_28 1 9.250224e-04 1.297212e-06 ; 3.345619e-01 1.649049e-01 6.635876e-02 1.730874e-02 0.000485 0.002166 True native_MD 7 231 256 C_AB42_25 C_AB42_28 1 2.592573e-03 1.089417e-05 ; 4.017080e-01 1.542439e-01 1.047141e-01 3.757713e-02 0.000485 0.002166 True native_MD 7 231 257 C_AB42_25 O_AB42_28 1 4.326565e-04 3.621272e-07 ; 3.069868e-01 1.292306e-01 2.339700e-02 1.774926e-02 0.000485 0.002166 True native_MD 7 231 258 @@ -44555,15 +44555,15 @@ CG2_AB42_24 O2_AB42_42 1 0.000000e+00 1.214195e-06 ; 2.863205e-01 -1.214195 C_AB42_25 O_AB42_29 1 1.164772e-03 2.014987e-06 ; 3.464750e-01 1.683255e-01 1.810315e-02 4.262563e-03 0.000485 0.002166 True native_MD 7 231 263 C_AB42_25 N_AB42_30 1 1.180107e-03 2.372394e-06 ; 3.552583e-01 1.467559e-01 2.862557e-02 1.285281e-02 0.000485 0.002166 True native_MD 7 231 264 C_AB42_25 CA_AB42_30 1 2.385007e-03 1.186491e-05 ; 4.131703e-01 1.198547e-01 4.161838e-02 2.583519e-02 0.000485 0.001339 True native_MD 7 231 266 - C_AB42_25 CB_AB42_30 1 0.000000e+00 4.632006e-06 ; 3.201173e-01 -4.632006e-06 4.869693e-02 2.878424e-02 0.000485 0.000060 True native_MD 7 231 267 + C_AB42_25 CB_AB42_30 1 0.000000e+00 4.631945e-06 ; 3.201169e-01 -4.631945e-06 4.869693e-02 2.878424e-02 0.000485 0.000060 True native_MD 7 231 267 C_AB42_25 C_AB42_30 1 1.949311e-03 5.891530e-06 ; 3.802400e-01 1.612405e-01 8.935002e-03 2.600644e-03 0.000485 0.002166 True native_MD 7 231 268 C_AB42_25 O_AB42_30 1 5.590462e-04 5.371150e-07 ; 3.141255e-01 1.454683e-01 9.678572e-03 4.516433e-03 0.000485 0.002166 True native_MD 7 231 269 C_AB42_25 N_AB42_31 1 1.291502e-03 3.021085e-06 ; 3.643437e-01 1.380281e-01 3.715252e-03 1.314664e-03 0.000485 0.002166 True native_MD 7 231 270 C_AB42_25 CA_AB42_31 1 2.607135e-03 1.340548e-05 ; 4.154510e-01 1.267607e-01 1.141469e-02 5.762826e-03 0.000485 0.001339 True native_MD 7 231 272 - C_AB42_25 CB_AB42_31 1 0.000000e+00 1.297067e-05 ; 3.487990e-01 -1.297067e-05 1.831357e-02 1.209286e-02 0.000485 0.000060 True native_MD 7 231 273 - C_AB42_25 CG1_AB42_31 1 0.000000e+00 6.335783e-06 ; 3.285830e-01 -6.335783e-06 1.373039e-02 1.401805e-02 0.000485 0.000060 True native_MD 7 231 274 - C_AB42_25 CG2_AB42_31 1 0.000000e+00 4.693925e-06 ; 3.204717e-01 -4.693925e-06 1.589440e-02 9.083141e-03 0.000485 0.000060 True native_MD 7 231 275 - C_AB42_25 CD_AB42_31 1 0.000000e+00 4.724415e-06 ; 3.206447e-01 -4.724415e-06 1.666097e-02 1.630114e-02 0.000485 0.000060 True native_MD 7 231 276 + C_AB42_25 CB_AB42_31 1 0.000000e+00 1.297061e-05 ; 3.487988e-01 -1.297061e-05 1.831357e-02 1.209286e-02 0.000485 0.000060 True native_MD 7 231 273 + C_AB42_25 CG1_AB42_31 1 0.000000e+00 6.335677e-06 ; 3.285825e-01 -6.335677e-06 1.373039e-02 1.401805e-02 0.000485 0.000060 True native_MD 7 231 274 + C_AB42_25 CG2_AB42_31 1 0.000000e+00 4.693864e-06 ; 3.204713e-01 -4.693864e-06 1.589440e-02 9.083141e-03 0.000485 0.000060 True native_MD 7 231 275 + C_AB42_25 CD_AB42_31 1 0.000000e+00 4.724353e-06 ; 3.206443e-01 -4.724353e-06 1.666097e-02 1.630114e-02 0.000485 0.000060 True native_MD 7 231 276 C_AB42_25 C_AB42_31 1 2.051869e-03 8.219311e-06 ; 3.985177e-01 1.280572e-01 2.756767e-03 7.623837e-04 0.000485 0.002166 True native_MD 7 231 277 C_AB42_25 O_AB42_31 1 6.161955e-04 9.503597e-07 ; 3.399082e-01 9.988242e-02 1.197645e-03 2.186635e-03 0.000485 0.002166 True native_MD 7 231 278 C_AB42_25 N_AB42_32 1 1.176436e-03 2.649699e-06 ; 3.620523e-01 1.305811e-01 2.973052e-03 3.177590e-05 0.000485 0.002166 True native_MD 7 231 279 @@ -44571,7 +44571,7 @@ CG2_AB42_24 O2_AB42_42 1 0.000000e+00 1.214195e-06 ; 2.863205e-01 -1.214195 C_AB42_25 CB_AB42_32 1 1.382763e-03 5.786303e-06 ; 4.014292e-01 8.261029e-02 2.279098e-02 1.923555e-03 0.000485 0.000060 True native_MD 7 231 282 C_AB42_25 CG1_AB42_32 1 1.026372e-03 3.541614e-06 ; 3.887312e-01 7.436158e-02 2.025842e-02 2.188532e-03 0.000485 0.000060 True native_MD 7 231 283 C_AB42_25 CG2_AB42_32 1 6.680948e-04 1.568412e-06 ; 3.645611e-01 7.114693e-02 2.119707e-02 2.521175e-03 0.000485 0.000060 True native_MD 7 231 284 - C_AB42_25 CD_AB42_32 1 0.000000e+00 4.644748e-06 ; 3.201906e-01 -4.644748e-06 2.114764e-02 3.931053e-03 0.000485 0.000060 True native_MD 7 231 285 + C_AB42_25 CD_AB42_32 1 0.000000e+00 4.644687e-06 ; 3.201902e-01 -4.644687e-06 2.114764e-02 3.931053e-03 0.000485 0.000060 True native_MD 7 231 285 C_AB42_25 C_AB42_32 1 2.979065e-03 1.489207e-05 ; 4.135035e-01 1.489857e-01 5.157052e-03 6.996493e-04 0.000485 0.002166 True native_MD 7 231 286 C_AB42_25 O_AB42_32 1 7.628951e-04 1.028898e-06 ; 3.323925e-01 1.414156e-01 4.111637e-03 6.793868e-04 0.000485 0.002166 True native_MD 7 231 287 C_AB42_25 N_AB42_33 1 8.223912e-04 1.159288e-06 ; 3.348514e-01 1.458497e-01 4.695089e-03 5.910866e-04 0.000485 0.002166 True native_MD 7 231 288 @@ -44579,24 +44579,24 @@ CG2_AB42_24 O2_AB42_42 1 0.000000e+00 1.214195e-06 ; 2.863205e-01 -1.214195 C_AB42_25 C_AB42_33 1 1.438383e-03 3.864323e-06 ; 3.728491e-01 1.338492e-01 3.278512e-03 4.258109e-04 0.000485 0.002166 True native_MD 7 231 291 C_AB42_25 N_AB42_34 1 9.187845e-04 2.121530e-06 ; 3.635571e-01 9.947597e-02 1.172032e-03 9.345488e-05 0.000485 0.002166 True native_MD 7 231 293 C_AB42_25 CA_AB42_34 1 1.862087e-03 5.887927e-06 ; 3.831132e-01 1.472236e-01 4.892143e-03 4.474296e-04 0.000485 0.001339 True native_MD 7 231 295 - C_AB42_25 CB_AB42_34 1 0.000000e+00 6.315152e-06 ; 3.284937e-01 -6.315152e-06 3.466897e-03 4.973442e-04 0.000485 0.000060 True native_MD 7 231 296 - C_AB42_25 CG_AB42_34 1 0.000000e+00 1.296469e-05 ; 3.487856e-01 -1.296469e-05 8.872190e-03 2.193408e-03 0.000485 0.000060 True native_MD 7 231 297 - C_AB42_25 CD1_AB42_34 1 0.000000e+00 4.698826e-06 ; 3.204996e-01 -4.698826e-06 7.788810e-03 2.014609e-03 0.000485 0.000060 True native_MD 7 231 298 - C_AB42_25 CD2_AB42_34 1 0.000000e+00 4.700397e-06 ; 3.205085e-01 -4.700397e-06 8.019273e-03 2.577399e-03 0.000485 0.000060 True native_MD 7 231 299 + C_AB42_25 CB_AB42_34 1 0.000000e+00 6.315046e-06 ; 3.284932e-01 -6.315046e-06 3.466897e-03 4.973442e-04 0.000485 0.000060 True native_MD 7 231 296 + C_AB42_25 CG_AB42_34 1 0.000000e+00 1.296463e-05 ; 3.487854e-01 -1.296463e-05 8.872190e-03 2.193408e-03 0.000485 0.000060 True native_MD 7 231 297 + C_AB42_25 CD1_AB42_34 1 0.000000e+00 4.698765e-06 ; 3.204992e-01 -4.698765e-06 7.788810e-03 2.014609e-03 0.000485 0.000060 True native_MD 7 231 298 + C_AB42_25 CD2_AB42_34 1 0.000000e+00 4.700335e-06 ; 3.205081e-01 -4.700335e-06 8.019273e-03 2.577399e-03 0.000485 0.000060 True native_MD 7 231 299 C_AB42_25 C_AB42_34 1 1.184600e-03 4.034379e-06 ; 3.878830e-01 8.695750e-02 8.058258e-04 1.312513e-04 0.000485 0.002166 True native_MD 7 231 300 C_AB42_25 O_AB42_34 1 6.216071e-04 9.938935e-07 ; 3.419563e-01 9.719236e-02 1.094612e-03 2.832753e-04 0.000485 0.002166 True native_MD 7 231 301 C_AB42_25 CA_AB42_35 1 1.838755e-03 7.918428e-06 ; 4.033535e-01 1.067454e-01 1.456858e-03 5.225949e-04 0.000485 0.001339 True native_MD 7 231 304 - C_AB42_25 CB_AB42_35 1 0.000000e+00 6.321734e-06 ; 3.285222e-01 -6.321734e-06 2.441696e-03 5.113733e-04 0.000485 0.000060 True native_MD 7 231 305 - C_AB42_25 CG_AB42_35 1 0.000000e+00 6.323489e-06 ; 3.285298e-01 -6.323489e-06 2.614556e-03 9.613018e-04 0.000485 0.000060 True native_MD 7 231 306 + C_AB42_25 CB_AB42_35 1 0.000000e+00 6.321628e-06 ; 3.285217e-01 -6.321628e-06 2.441696e-03 5.113733e-04 0.000485 0.000060 True native_MD 7 231 305 + C_AB42_25 CG_AB42_35 1 0.000000e+00 6.323383e-06 ; 3.285293e-01 -6.323383e-06 2.614556e-03 9.613018e-04 0.000485 0.000060 True native_MD 7 231 306 C_AB42_25 SD_AB42_35 1 1.010591e-03 1.865445e-06 ; 3.502417e-01 1.368701e-01 3.588708e-03 1.241932e-03 0.000485 0.002166 True native_MD 7 231 307 - C_AB42_25 CE_AB42_35 1 0.000000e+00 4.711000e-06 ; 3.205687e-01 -4.711000e-06 5.442234e-03 2.243842e-03 0.000485 0.000060 True native_MD 7 231 308 + C_AB42_25 CE_AB42_35 1 0.000000e+00 4.710938e-06 ; 3.205683e-01 -4.710938e-06 5.442234e-03 2.243842e-03 0.000485 0.000060 True native_MD 7 231 308 C_AB42_25 C_AB42_35 1 1.659267e-03 7.249990e-06 ; 4.043308e-01 9.493695e-02 1.023169e-03 1.919694e-05 0.000485 0.002166 True native_MD 7 231 309 C_AB42_25 O_AB42_35 1 6.437789e-04 1.303853e-06 ; 3.556984e-01 7.946667e-02 6.439991e-04 6.364021e-05 0.000485 0.002166 True native_MD 7 231 310 C_AB42_25 N_AB42_36 1 5.086747e-04 7.241359e-07 ; 3.354002e-01 8.933059e-02 8.651341e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 231 311 C_AB42_25 CA_AB42_36 1 5.234131e-03 3.258184e-05 ; 4.288991e-01 2.102101e-01 3.221913e-02 3.053305e-04 0.000485 0.001339 True native_MD 7 231 313 C_AB42_25 CB_AB42_36 1 1.374926e-03 3.434147e-06 ; 3.683465e-01 1.376195e-01 7.645861e-02 1.244034e-03 0.000485 0.000060 True native_MD 7 231 314 C_AB42_25 CG1_AB42_36 1 1.075602e-03 2.126797e-06 ; 3.542792e-01 1.359933e-01 6.472383e-02 1.105617e-03 0.000485 0.000060 True native_MD 7 231 315 - C_AB42_25 CG2_AB42_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 316 + C_AB42_25 CG2_AB42_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 316 C_AB42_25 C_AB42_36 1 2.544314e-03 1.249633e-05 ; 4.122892e-01 1.295087e-01 2.879150e-03 1.583587e-04 0.000485 0.002166 True native_MD 7 231 317 C_AB42_25 O_AB42_36 1 5.396936e-04 8.040230e-07 ; 3.379508e-01 9.056617e-02 8.977220e-04 1.741801e-04 0.000485 0.002166 True native_MD 7 231 318 C_AB42_25 N_AB42_37 1 1.249515e-03 2.609861e-06 ; 3.575301e-01 1.495566e-01 5.245910e-03 2.380437e-04 0.000485 0.002166 True native_MD 7 231 319 @@ -44610,7 +44610,7 @@ CG2_AB42_24 O2_AB42_42 1 0.000000e+00 1.214195e-06 ; 2.863205e-01 -1.214195 C_AB42_25 N_AB42_39 1 1.172272e-03 2.824994e-06 ; 3.661549e-01 1.216128e-01 2.273233e-03 1.523900e-06 0.000485 0.002166 True native_MD 7 231 329 C_AB42_25 CA_AB42_39 1 2.236962e-03 8.681746e-06 ; 3.964223e-01 1.440954e-01 4.454951e-03 2.404219e-04 0.000485 0.001339 True native_MD 7 231 331 C_AB42_25 CB_AB42_39 1 1.518989e-03 7.126034e-06 ; 4.091497e-01 8.094708e-02 5.197264e-03 4.610337e-04 0.000485 0.000060 True native_MD 7 231 332 - C_AB42_25 CG1_AB42_39 1 0.000000e+00 4.714517e-06 ; 3.205886e-01 -4.714517e-06 3.085499e-03 6.312367e-04 0.000485 0.000060 True native_MD 7 231 333 + C_AB42_25 CG1_AB42_39 1 0.000000e+00 4.714455e-06 ; 3.205883e-01 -4.714455e-06 3.085499e-03 6.312367e-04 0.000485 0.000060 True native_MD 7 231 333 C_AB42_25 CG2_AB42_39 1 6.482323e-04 1.397656e-06 ; 3.594277e-01 7.516248e-02 3.868302e-03 4.079987e-04 0.000485 0.000060 True native_MD 7 231 334 C_AB42_25 C_AB42_39 1 1.742833e-03 6.801584e-06 ; 3.967885e-01 1.116456e-01 1.686956e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 231 335 C_AB42_25 O_AB42_39 1 3.202923e-04 2.639569e-07 ; 3.061948e-01 9.716280e-02 1.093644e-03 5.204709e-05 0.000485 0.002166 True native_MD 7 231 336 @@ -44625,25 +44625,25 @@ CG2_AB42_24 O2_AB42_42 1 0.000000e+00 1.214195e-06 ; 2.863205e-01 -1.214195 C_AB42_25 CA_AB42_41 1 3.103718e-03 1.751146e-05 ; 4.219296e-01 1.375252e-01 3.659755e-03 2.990827e-04 0.000485 0.001339 True native_MD 7 231 347 C_AB42_25 CB_AB42_41 1 1.597124e-03 8.048912e-06 ; 4.140630e-01 7.922826e-02 6.318962e-03 5.901229e-04 0.000485 0.000060 True native_MD 7 231 348 C_AB42_25 CG1_AB42_41 1 8.395137e-04 2.267309e-06 ; 3.731761e-01 7.771144e-02 4.837473e-03 4.727472e-04 0.000485 0.000060 True native_MD 7 231 349 - C_AB42_25 CG2_AB42_41 1 0.000000e+00 4.708430e-06 ; 3.205541e-01 -4.708430e-06 4.563771e-03 8.216420e-04 0.000485 0.000060 True native_MD 7 231 350 - C_AB42_25 CD_AB42_41 1 0.000000e+00 4.704505e-06 ; 3.205318e-01 -4.704505e-06 5.683700e-03 1.111008e-03 0.000485 0.000060 True native_MD 7 231 351 + C_AB42_25 CG2_AB42_41 1 0.000000e+00 4.708368e-06 ; 3.205538e-01 -4.708368e-06 4.563771e-03 8.216420e-04 0.000485 0.000060 True native_MD 7 231 350 + C_AB42_25 CD_AB42_41 1 0.000000e+00 4.704443e-06 ; 3.205315e-01 -4.704443e-06 5.683700e-03 1.111008e-03 0.000485 0.000060 True native_MD 7 231 351 C_AB42_25 C_AB42_41 1 1.703546e-03 7.450548e-06 ; 4.043950e-01 9.737767e-02 1.100699e-03 6.422450e-06 0.000485 0.002166 True native_MD 7 231 352 C_AB42_25 O_AB42_41 1 4.261782e-04 4.709517e-07 ; 3.215369e-01 9.641532e-02 1.069452e-03 2.303273e-04 0.000485 0.002166 True native_MD 7 231 353 C_AB42_25 N_AB42_42 1 7.554430e-04 1.591364e-06 ; 3.580370e-01 8.965487e-02 8.735704e-04 1.841543e-06 0.000485 0.002166 True native_MD 7 231 354 C_AB42_25 CA_AB42_42 1 2.088933e-03 7.739429e-06 ; 3.933665e-01 1.409549e-01 4.055337e-03 7.538138e-04 0.000485 0.001339 True native_MD 7 231 356 - C_AB42_25 CB_AB42_42 1 0.000000e+00 4.708531e-06 ; 3.205547e-01 -4.708531e-06 4.618023e-03 8.973024e-04 0.000485 0.000060 True native_MD 7 231 357 + C_AB42_25 CB_AB42_42 1 0.000000e+00 4.708470e-06 ; 3.205543e-01 -4.708470e-06 4.618023e-03 8.973024e-04 0.000485 0.000060 True native_MD 7 231 357 C_AB42_25 C_AB42_42 1 1.297604e-03 4.725852e-06 ; 3.922440e-01 8.907267e-02 8.584823e-04 2.791818e-04 0.000485 0.002166 True native_MD 7 231 358 C_AB42_25 O1_AB42_42 1 5.677095e-04 1.073180e-06 ; 3.516342e-01 7.507924e-02 5.647592e-04 2.431362e-04 0.000485 0.002166 True native_MD 7 231 359 C_AB42_25 O2_AB42_42 1 5.677095e-04 1.073180e-06 ; 3.516342e-01 7.507924e-02 5.647592e-04 2.431362e-04 0.000485 0.002166 True native_MD 7 231 360 O_AB42_25 O_AB42_25 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 232 O_AB42_25 H_AB42_26 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 234 - O_AB42_25 CB_AB42_26 1 0.000000e+00 2.015629e-06 ; 2.986729e-01 -2.015629e-06 1.000000e+00 9.999863e-01 0.000485 0.000060 True native_MD 4 232 236 - O_AB42_25 OG_AB42_26 1 0.000000e+00 3.873056e-07 ; 2.603152e-01 -3.873056e-07 1.221233e-01 1.878886e-01 0.000485 0.000060 True native_MD 5 232 237 - O_AB42_25 C_AB42_26 1 0.000000e+00 8.224526e-07 ; 2.771751e-01 -8.224526e-07 9.998281e-01 9.943981e-01 0.000485 0.000060 True native_MD 4 232 238 + O_AB42_25 CB_AB42_26 1 0.000000e+00 2.015621e-06 ; 2.986728e-01 -2.015621e-06 1.000000e+00 9.999863e-01 0.000485 0.000060 True native_MD 4 232 236 + O_AB42_25 OG_AB42_26 1 0.000000e+00 3.873045e-07 ; 2.603151e-01 -3.873045e-07 1.221233e-01 1.878886e-01 0.000485 0.000060 True native_MD 5 232 237 + O_AB42_25 C_AB42_26 1 0.000000e+00 8.224488e-07 ; 2.771750e-01 -8.224488e-07 9.998281e-01 9.943981e-01 0.000485 0.000060 True native_MD 4 232 238 O_AB42_25 O_AB42_26 1 0.000000e+00 1.404097e-06 ; 2.898087e-01 -1.404097e-06 8.813537e-01 8.174185e-01 0.000485 0.000060 True native_MD 5 232 239 O_AB42_25 N_AB42_27 1 0.000000e+00 1.494181e-06 ; 2.913144e-01 -1.494181e-06 8.908691e-01 8.869899e-01 0.000485 0.000060 True native_MD 5 232 240 - O_AB42_25 H_AB42_27 1 0.000000e+00 1.558164e-08 ; 1.991649e-01 -1.558164e-08 1.712685e-01 1.754861e-01 0.000485 0.000060 True native_MD 6 232 241 - O_AB42_25 CA_AB42_27 1 0.000000e+00 3.834305e-06 ; 3.151149e-01 -3.834305e-06 6.559818e-01 5.791333e-01 0.000485 0.000060 True native_MD 6 232 242 + O_AB42_25 H_AB42_27 1 0.000000e+00 1.558189e-08 ; 1.991651e-01 -1.558189e-08 1.712685e-01 1.754861e-01 0.000485 0.000060 True native_MD 6 232 241 + O_AB42_25 CA_AB42_27 1 0.000000e+00 3.834335e-06 ; 3.151151e-01 -3.834335e-06 6.559818e-01 5.791333e-01 0.000485 0.000060 True native_MD 6 232 242 O_AB42_25 CB_AB42_27 1 1.137621e-03 3.393982e-06 ; 3.794186e-01 9.532917e-02 9.991174e-02 1.149004e-01 0.000485 0.001191 True native_MD 7 232 243 O_AB42_25 CG_AB42_27 1 7.563756e-04 1.034428e-06 ; 3.331658e-01 1.382658e-01 1.661043e-01 9.615525e-02 0.000485 0.002166 True native_MD 7 232 244 O_AB42_25 OD1_AB42_27 1 0.000000e+00 1.385431e-06 ; 2.894857e-01 -1.385431e-06 2.039551e-01 1.275757e-01 0.000485 0.000060 True native_MD 7 232 245 @@ -44762,45 +44762,45 @@ CG2_AB42_24 O2_AB42_42 1 0.000000e+00 1.214195e-06 ; 2.863205e-01 -1.214195 O_AB42_25 C_AB42_42 1 8.623802e-04 2.512565e-06 ; 3.779228e-01 7.399804e-02 5.467784e-04 3.365718e-04 0.000485 0.002166 True native_MD 7 232 358 O_AB42_25 O1_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 359 O_AB42_25 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 360 - N_AB42_26 CB_AB42_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 236 - N_AB42_26 CA_AB42_27 1 0.000000e+00 7.574601e-06 ; 3.335096e-01 -7.574601e-06 9.999951e-01 9.999431e-01 0.000485 0.000060 True native_MD 4 233 242 - N_AB42_26 CB_AB42_27 1 0.000000e+00 4.361395e-06 ; 3.185154e-01 -4.361395e-06 2.578417e-01 4.442667e-01 0.000485 0.000060 True native_MD 5 233 243 - N_AB42_26 CG_AB42_27 1 0.000000e+00 1.482184e-06 ; 2.911187e-01 -1.482184e-06 8.195243e-02 6.473597e-02 0.000485 0.000060 True native_MD 6 233 244 + N_AB42_26 CB_AB42_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 236 + N_AB42_26 CA_AB42_27 1 0.000000e+00 7.574589e-06 ; 3.335095e-01 -7.574589e-06 9.999951e-01 9.999431e-01 0.000485 0.000060 True native_MD 4 233 242 + N_AB42_26 CB_AB42_27 1 0.000000e+00 4.361338e-06 ; 3.185151e-01 -4.361338e-06 2.578417e-01 4.442667e-01 0.000485 0.000060 True native_MD 5 233 243 + N_AB42_26 CG_AB42_27 1 0.000000e+00 1.482163e-06 ; 2.911184e-01 -1.482163e-06 8.195243e-02 6.473597e-02 0.000485 0.000060 True native_MD 6 233 244 N_AB42_26 OD1_AB42_27 1 5.020119e-04 5.441126e-07 ; 3.205008e-01 1.157922e-01 8.699910e-02 9.867237e-02 0.000485 0.002166 True native_MD 7 233 245 N_AB42_26 ND2_AB42_27 1 1.098823e-03 2.450690e-06 ; 3.614599e-01 1.231706e-01 9.775961e-02 8.890916e-02 0.000485 0.002166 True native_MD 7 233 246 - N_AB42_26 C_AB42_27 1 0.000000e+00 1.479584e-06 ; 2.910762e-01 -1.479584e-06 1.252752e-01 1.063348e-01 0.000485 0.000060 True native_MD 5 233 247 + N_AB42_26 C_AB42_27 1 0.000000e+00 1.479563e-06 ; 2.910758e-01 -1.479563e-06 1.252752e-01 1.063348e-01 0.000485 0.000060 True native_MD 5 233 247 N_AB42_26 O_AB42_27 1 0.000000e+00 1.595270e-06 ; 2.929080e-01 -1.595270e-06 6.738543e-02 1.308989e-01 0.000485 0.000060 True native_MD 6 233 248 - N_AB42_26 N_AB42_28 1 0.000000e+00 8.388786e-07 ; 2.776323e-01 -8.388786e-07 1.552068e-01 1.136032e-01 0.000485 0.000060 True native_MD 6 233 249 + N_AB42_26 N_AB42_28 1 0.000000e+00 8.388698e-07 ; 2.776320e-01 -8.388698e-07 1.552068e-01 1.136032e-01 0.000485 0.000060 True native_MD 6 233 249 N_AB42_26 CA_AB42_28 1 4.882144e-03 4.579213e-05 ; 4.592298e-01 1.301279e-01 1.364407e-01 6.228142e-02 0.000485 0.001339 True native_MD 7 233 251 - N_AB42_26 CB_AB42_28 1 0.000000e+00 3.583276e-06 ; 3.133418e-01 -3.583276e-06 4.629537e-02 2.104966e-02 0.000485 0.000060 True native_MD 7 233 252 - N_AB42_26 CG_AB42_28 1 0.000000e+00 3.489779e-06 ; 3.126522e-01 -3.489779e-06 7.426949e-02 2.358980e-02 0.000485 0.000060 True native_MD 7 233 253 - N_AB42_26 CD_AB42_28 1 0.000000e+00 3.613695e-06 ; 3.135626e-01 -3.613695e-06 2.258823e-02 5.617252e-03 0.000485 0.000060 True native_MD 7 233 254 - N_AB42_26 CE_AB42_28 1 0.000000e+00 3.566079e-06 ; 3.132162e-01 -3.566079e-06 3.441819e-02 4.494378e-03 0.000485 0.000060 True native_MD 7 233 255 - N_AB42_26 NZ_AB42_28 1 0.000000e+00 8.629239e-07 ; 2.782869e-01 -8.629239e-07 1.649186e-02 2.359313e-03 0.000485 0.000060 True native_MD 7 233 256 + N_AB42_26 CB_AB42_28 1 0.000000e+00 3.583229e-06 ; 3.133415e-01 -3.583229e-06 4.629537e-02 2.104966e-02 0.000485 0.000060 True native_MD 7 233 252 + N_AB42_26 CG_AB42_28 1 0.000000e+00 3.489733e-06 ; 3.126519e-01 -3.489733e-06 7.426949e-02 2.358980e-02 0.000485 0.000060 True native_MD 7 233 253 + N_AB42_26 CD_AB42_28 1 0.000000e+00 3.613647e-06 ; 3.135623e-01 -3.613647e-06 2.258823e-02 5.617252e-03 0.000485 0.000060 True native_MD 7 233 254 + N_AB42_26 CE_AB42_28 1 0.000000e+00 3.566032e-06 ; 3.132159e-01 -3.566032e-06 3.441819e-02 4.494378e-03 0.000485 0.000060 True native_MD 7 233 255 + N_AB42_26 NZ_AB42_28 1 0.000000e+00 8.629148e-07 ; 2.782866e-01 -8.629148e-07 1.649186e-02 2.359313e-03 0.000485 0.000060 True native_MD 7 233 256 N_AB42_26 C_AB42_28 1 2.160040e-03 8.976725e-06 ; 4.009677e-01 1.299408e-01 2.916627e-03 8.019992e-04 0.000485 0.002166 True native_MD 7 233 257 N_AB42_26 O_AB42_28 1 6.495589e-04 8.244431e-07 ; 3.290463e-01 1.279429e-01 1.098688e-02 8.662348e-03 0.000485 0.002166 True native_MD 7 233 258 - N_AB42_26 N_AB42_29 1 0.000000e+00 8.572038e-07 ; 2.781327e-01 -8.572038e-07 2.926376e-02 8.596168e-03 0.000485 0.000060 True native_MD 7 233 259 + N_AB42_26 N_AB42_29 1 0.000000e+00 8.571948e-07 ; 2.781324e-01 -8.571948e-07 2.926376e-02 8.596168e-03 0.000485 0.000060 True native_MD 7 233 259 N_AB42_26 CA_AB42_29 1 2.253214e-03 8.947925e-06 ; 3.979422e-01 1.418478e-01 3.485172e-02 1.325313e-02 0.000485 0.001584 True native_MD 7 233 261 N_AB42_26 C_AB42_29 1 1.788329e-03 6.719983e-06 ; 3.942940e-01 1.189780e-01 2.100880e-03 6.922127e-04 0.000485 0.002166 True native_MD 7 233 262 N_AB42_26 O_AB42_29 1 4.667828e-04 4.378625e-07 ; 3.128747e-01 1.244033e-01 2.820143e-03 2.471926e-03 0.000485 0.002166 True native_MD 7 233 263 - N_AB42_26 N_AB42_30 1 0.000000e+00 8.742145e-07 ; 2.785885e-01 -8.742145e-07 1.645844e-03 4.125004e-04 0.000485 0.000060 True native_MD 7 233 264 + N_AB42_26 N_AB42_30 1 0.000000e+00 8.742053e-07 ; 2.785882e-01 -8.742053e-07 1.645844e-03 4.125004e-04 0.000485 0.000060 True native_MD 7 233 264 N_AB42_26 CA_AB42_30 1 4.335630e-03 3.331464e-05 ; 4.442190e-01 1.410618e-01 1.421359e-02 4.677505e-03 0.000485 0.001339 True native_MD 7 233 266 - N_AB42_26 CB_AB42_30 1 0.000000e+00 2.698330e-06 ; 3.060222e-01 -2.698330e-06 2.743222e-02 1.117345e-02 0.000485 0.000060 True native_MD 7 233 267 + N_AB42_26 CB_AB42_30 1 0.000000e+00 2.698304e-06 ; 3.060219e-01 -2.698304e-06 2.743222e-02 1.117345e-02 0.000485 0.000060 True native_MD 7 233 267 N_AB42_26 C_AB42_30 1 4.883796e-04 6.881830e-07 ; 3.348300e-01 8.664653e-02 7.983614e-04 1.312606e-04 0.000485 0.002166 True native_MD 7 233 268 N_AB42_26 O_AB42_30 1 2.570233e-04 1.053226e-07 ; 2.725366e-01 1.568063e-01 6.516917e-03 2.060569e-03 0.000485 0.002166 True native_MD 7 233 269 N_AB42_26 N_AB42_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 3.607332e-04 6.862249e-07 0.000485 0.000060 True native_MD 7 233 270 N_AB42_26 CA_AB42_31 1 3.133526e-03 1.652483e-05 ; 4.172061e-01 1.485489e-01 5.090072e-03 8.334248e-04 0.000485 0.001339 True native_MD 7 233 272 - N_AB42_26 CB_AB42_31 1 0.000000e+00 7.537745e-06 ; 3.333740e-01 -7.537745e-06 7.681425e-03 2.764022e-03 0.000485 0.000060 True native_MD 7 233 273 - N_AB42_26 CG1_AB42_31 1 0.000000e+00 3.669672e-06 ; 3.139645e-01 -3.669672e-06 5.908485e-03 4.164978e-03 0.000485 0.000060 True native_MD 7 233 274 - N_AB42_26 CG2_AB42_31 1 0.000000e+00 2.731029e-06 ; 3.063295e-01 -2.731029e-06 7.651359e-03 3.314111e-03 0.000485 0.000060 True native_MD 7 233 275 - N_AB42_26 CD_AB42_31 1 0.000000e+00 2.737666e-06 ; 3.063915e-01 -2.737666e-06 8.615945e-03 6.698361e-03 0.000485 0.000060 True native_MD 7 233 276 + N_AB42_26 CB_AB42_31 1 0.000000e+00 7.537734e-06 ; 3.333740e-01 -7.537734e-06 7.681425e-03 2.764022e-03 0.000485 0.000060 True native_MD 7 233 273 + N_AB42_26 CG1_AB42_31 1 0.000000e+00 3.669624e-06 ; 3.139642e-01 -3.669624e-06 5.908485e-03 4.164978e-03 0.000485 0.000060 True native_MD 7 233 274 + N_AB42_26 CG2_AB42_31 1 0.000000e+00 2.731004e-06 ; 3.063293e-01 -2.731004e-06 7.651359e-03 3.314111e-03 0.000485 0.000060 True native_MD 7 233 275 + N_AB42_26 CD_AB42_31 1 0.000000e+00 2.737640e-06 ; 3.063913e-01 -2.737640e-06 8.615945e-03 6.698361e-03 0.000485 0.000060 True native_MD 7 233 276 N_AB42_26 O_AB42_31 1 5.428894e-04 7.957978e-07 ; 3.370403e-01 9.258913e-02 9.537478e-04 1.998191e-03 0.000485 0.002166 True native_MD 7 233 278 N_AB42_26 N_AB42_32 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.500535e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 233 279 N_AB42_26 CA_AB42_32 1 3.156941e-03 2.006341e-05 ; 4.303843e-01 1.241847e-01 2.455110e-03 8.947365e-04 0.000485 0.001339 True native_MD 7 233 281 N_AB42_26 CB_AB42_32 1 1.309079e-03 5.632571e-06 ; 4.032956e-01 7.606151e-02 5.999000e-03 6.159320e-04 0.000485 0.000060 True native_MD 7 233 282 N_AB42_26 CG1_AB42_32 1 9.917985e-04 3.486385e-06 ; 3.899348e-01 7.053612e-02 5.467277e-03 6.622724e-04 0.000485 0.000060 True native_MD 7 233 283 - N_AB42_26 CG2_AB42_32 1 0.000000e+00 2.731861e-06 ; 3.063373e-01 -2.731861e-06 4.903892e-03 8.698807e-04 0.000485 0.000060 True native_MD 7 233 284 - N_AB42_26 CD_AB42_32 1 0.000000e+00 2.721940e-06 ; 3.062444e-01 -2.721940e-06 9.320106e-03 1.669133e-03 0.000485 0.000060 True native_MD 7 233 285 + N_AB42_26 CG2_AB42_32 1 0.000000e+00 2.731835e-06 ; 3.063371e-01 -2.731835e-06 4.903892e-03 8.698807e-04 0.000485 0.000060 True native_MD 7 233 284 + N_AB42_26 CD_AB42_32 1 0.000000e+00 2.721914e-06 ; 3.062442e-01 -2.721914e-06 9.320106e-03 1.669133e-03 0.000485 0.000060 True native_MD 7 233 285 N_AB42_26 O_AB42_32 1 1.610414e-04 5.283720e-08 ; 2.626236e-01 1.227087e-01 2.349022e-03 6.328936e-04 0.000485 0.002166 True native_MD 7 233 287 N_AB42_26 N_AB42_33 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 4.558240e-04 1.000285e-04 0.000485 0.000060 True native_MD 7 233 288 N_AB42_26 CA_AB42_33 1 1.125550e-03 2.252015e-06 ; 3.549777e-01 1.406366e-01 4.016894e-03 1.295379e-03 0.000485 0.001584 True native_MD 7 233 290 @@ -44808,17 +44808,17 @@ CG2_AB42_24 O2_AB42_42 1 0.000000e+00 1.214195e-06 ; 2.863205e-01 -1.214195 N_AB42_26 O_AB42_33 1 8.246933e-04 1.683204e-06 ; 3.561564e-01 1.010156e-01 1.227295e-03 3.752447e-04 0.000485 0.002166 True native_MD 7 233 292 N_AB42_26 N_AB42_34 1 5.858308e-04 1.042340e-06 ; 3.481017e-01 8.231425e-02 7.012847e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 233 293 N_AB42_26 CA_AB42_34 1 1.879263e-03 7.381469e-06 ; 3.972152e-01 1.196113e-01 2.141076e-03 2.861722e-05 0.000485 0.001339 True native_MD 7 233 295 - N_AB42_26 CB_AB42_34 1 0.000000e+00 3.670452e-06 ; 3.139701e-01 -3.670452e-06 1.748247e-03 2.167884e-04 0.000485 0.000060 True native_MD 7 233 296 + N_AB42_26 CB_AB42_34 1 0.000000e+00 3.670404e-06 ; 3.139698e-01 -3.670404e-06 1.748247e-03 2.167884e-04 0.000485 0.000060 True native_MD 7 233 296 N_AB42_26 CG_AB42_34 1 1.398156e-03 6.695038e-06 ; 4.105502e-01 7.299583e-02 4.781665e-03 5.381170e-04 0.000485 0.000060 True native_MD 7 233 297 - N_AB42_26 CD1_AB42_34 1 0.000000e+00 2.731944e-06 ; 3.063381e-01 -2.731944e-06 4.935528e-03 9.318414e-04 0.000485 0.000060 True native_MD 7 233 298 - N_AB42_26 CD2_AB42_34 1 0.000000e+00 2.731832e-06 ; 3.063370e-01 -2.731832e-06 4.937737e-03 8.931099e-04 0.000485 0.000060 True native_MD 7 233 299 + N_AB42_26 CD1_AB42_34 1 0.000000e+00 2.731919e-06 ; 3.063378e-01 -2.731919e-06 4.935528e-03 9.318414e-04 0.000485 0.000060 True native_MD 7 233 298 + N_AB42_26 CD2_AB42_34 1 0.000000e+00 2.731806e-06 ; 3.063368e-01 -2.731806e-06 4.937737e-03 8.931099e-04 0.000485 0.000060 True native_MD 7 233 299 N_AB42_26 O_AB42_34 1 1.058762e-03 3.437307e-06 ; 3.848014e-01 8.153015e-02 6.850207e-04 2.604288e-04 0.000485 0.002166 True native_MD 7 233 301 N_AB42_26 N_AB42_35 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 233 302 N_AB42_26 CA_AB42_35 1 3.093864e-03 2.555919e-05 ; 4.496152e-01 9.362574e-02 9.837981e-04 1.462147e-04 0.000485 0.001339 True native_MD 7 233 304 - N_AB42_26 CB_AB42_35 1 0.000000e+00 3.673320e-06 ; 3.139905e-01 -3.673320e-06 9.392885e-04 1.880721e-04 0.000485 0.000060 True native_MD 7 233 305 - N_AB42_26 CG_AB42_35 1 0.000000e+00 3.673923e-06 ; 3.139948e-01 -3.673923e-06 9.161022e-04 3.288027e-04 0.000485 0.000060 True native_MD 7 233 306 + N_AB42_26 CB_AB42_35 1 0.000000e+00 3.673272e-06 ; 3.139902e-01 -3.673272e-06 9.392885e-04 1.880721e-04 0.000485 0.000060 True native_MD 7 233 305 + N_AB42_26 CG_AB42_35 1 0.000000e+00 3.673874e-06 ; 3.139945e-01 -3.673874e-06 9.161022e-04 3.288027e-04 0.000485 0.000060 True native_MD 7 233 306 N_AB42_26 SD_AB42_35 1 7.769520e-04 1.543682e-06 ; 3.545634e-01 9.776210e-02 1.113435e-03 4.590117e-04 0.000485 0.002166 True native_MD 7 233 307 - N_AB42_26 CE_AB42_35 1 0.000000e+00 2.738660e-06 ; 3.064008e-01 -2.738660e-06 2.543681e-03 9.883826e-04 0.000485 0.000060 True native_MD 7 233 308 + N_AB42_26 CE_AB42_35 1 0.000000e+00 2.738634e-06 ; 3.064005e-01 -2.738634e-06 2.543681e-03 9.883826e-04 0.000485 0.000060 True native_MD 7 233 308 N_AB42_26 O_AB42_35 1 3.879713e-04 4.634232e-07 ; 3.257340e-01 8.120101e-02 6.783065e-04 1.970765e-04 0.000485 0.002166 True native_MD 7 233 310 N_AB42_26 N_AB42_36 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.745984e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 233 311 N_AB42_26 CA_AB42_36 1 4.565688e-03 3.146425e-05 ; 4.362330e-01 1.656285e-01 8.485974e-03 1.043764e-04 0.000485 0.001339 True native_MD 7 233 313 @@ -44852,7 +44852,7 @@ CG2_AB42_24 O2_AB42_42 1 0.000000e+00 1.214195e-06 ; 2.863205e-01 -1.214195 N_AB42_26 CB_AB42_41 1 2.243520e-03 1.038950e-05 ; 4.082668e-01 1.211171e-01 2.872586e-03 7.658686e-05 0.000485 0.000060 True native_MD 7 233 348 N_AB42_26 CG1_AB42_41 1 1.417781e-03 4.164096e-06 ; 3.784297e-01 1.206807e-01 2.210703e-03 5.277120e-05 0.000485 0.000060 True native_MD 7 233 349 N_AB42_26 CG2_AB42_41 1 7.546316e-04 1.728625e-06 ; 3.630733e-01 8.235863e-02 2.615035e-03 2.223770e-04 0.000485 0.000060 True native_MD 7 233 350 - N_AB42_26 CD_AB42_41 1 0.000000e+00 2.737496e-06 ; 3.063899e-01 -2.737496e-06 2.607762e-03 6.281215e-04 0.000485 0.000060 True native_MD 7 233 351 + N_AB42_26 CD_AB42_41 1 0.000000e+00 2.737470e-06 ; 3.063897e-01 -2.737470e-06 2.607762e-03 6.281215e-04 0.000485 0.000060 True native_MD 7 233 351 N_AB42_26 O_AB42_41 1 1.560493e-04 6.081094e-08 ; 2.702630e-01 1.001110e-01 1.194519e-03 1.595102e-05 0.000485 0.002166 True native_MD 7 233 353 N_AB42_26 N_AB42_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.261646e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 233 354 N_AB42_26 CA_AB42_42 1 1.247567e-03 3.219087e-06 ; 3.703493e-01 1.208745e-01 2.223563e-03 9.005479e-05 0.000485 0.001339 True native_MD 7 233 356 @@ -44861,8 +44861,8 @@ CG2_AB42_24 O2_AB42_42 1 0.000000e+00 1.214195e-06 ; 2.863205e-01 -1.214195 N_AB42_26 O1_AB42_42 1 1.275750e-04 4.398365e-08 ; 2.648018e-01 9.250806e-02 9.514367e-04 1.528755e-04 0.000485 0.002166 True native_MD 7 233 359 N_AB42_26 O2_AB42_42 1 1.275750e-04 4.398365e-08 ; 2.648018e-01 9.250806e-02 9.514367e-04 1.528755e-04 0.000485 0.002166 True native_MD 7 233 360 H_AB42_26 H_AB42_26 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 234 - H_AB42_26 OG_AB42_26 1 0.000000e+00 2.482759e-08 ; 2.070489e-01 -2.482759e-08 4.252867e-01 5.839934e-01 0.000485 0.000060 True native_MD 4 234 237 - H_AB42_26 O_AB42_26 1 0.000000e+00 1.365987e-08 ; 1.969921e-01 -1.365987e-08 3.697230e-01 2.500845e-01 0.000485 0.000060 True native_MD 4 234 239 + H_AB42_26 OG_AB42_26 1 0.000000e+00 2.482770e-08 ; 2.070490e-01 -2.482770e-08 4.252867e-01 5.839934e-01 0.000485 0.000060 True native_MD 4 234 237 + H_AB42_26 O_AB42_26 1 0.000000e+00 1.366008e-08 ; 1.969924e-01 -1.366008e-08 3.697230e-01 2.500845e-01 0.000485 0.000060 True native_MD 4 234 239 H_AB42_26 H_AB42_27 1 0.000000e+00 1.521292e-08 ; 1.987678e-01 -1.521292e-08 3.408563e-01 6.085995e-01 0.000485 0.000060 True native_MD 5 234 241 H_AB42_26 OD1_AB42_27 1 8.688656e-05 1.216499e-08 ; 2.278732e-01 1.551434e-01 6.200553e-03 2.850453e-03 0.000485 0.005316 True native_MD 7 234 245 H_AB42_26 O_AB42_27 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 248 @@ -44897,14 +44897,14 @@ CG2_AB42_24 O2_AB42_42 1 0.000000e+00 1.214195e-06 ; 2.863205e-01 -1.214195 H_AB42_26 H_AB42_42 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 355 H_AB42_26 O1_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 359 H_AB42_26 O2_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 360 - CA_AB42_26 CB_AB42_27 1 0.000000e+00 3.181385e-05 ; 3.758775e-01 -3.181385e-05 9.999939e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 235 243 - CA_AB42_26 CG_AB42_27 1 0.000000e+00 1.028078e-05 ; 3.421085e-01 -1.028078e-05 9.276653e-01 7.153522e-01 0.000485 0.000060 True native_MD 5 235 244 - CA_AB42_26 OD1_AB42_27 1 0.000000e+00 3.253490e-06 ; 3.108309e-01 -3.253490e-06 5.357927e-01 3.191066e-01 0.000485 0.000060 True native_MD 6 235 245 - CA_AB42_26 ND2_AB42_27 1 0.000000e+00 9.474199e-06 ; 3.397871e-01 -9.474199e-06 7.144453e-01 4.406715e-01 0.000485 0.000060 True native_MD 6 235 246 - CA_AB42_26 C_AB42_27 1 0.000000e+00 1.305187e-05 ; 3.489804e-01 -1.305187e-05 9.999994e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 235 247 - CA_AB42_26 O_AB42_27 1 0.000000e+00 4.198601e-06 ; 3.175073e-01 -4.198601e-06 3.629094e-01 3.737693e-01 0.000485 0.000060 True native_MD 5 235 248 - CA_AB42_26 N_AB42_28 1 0.000000e+00 6.946730e-06 ; 3.311134e-01 -6.946730e-06 7.776003e-01 6.946610e-01 0.000485 0.000060 True native_MD 5 235 249 - CA_AB42_26 CA_AB42_28 1 0.000000e+00 5.866503e-05 ; 3.955426e-01 -5.866503e-05 7.859303e-01 6.808181e-01 0.000485 0.000060 True native_MD 6 235 251 + CA_AB42_26 CB_AB42_27 1 0.000000e+00 3.181371e-05 ; 3.758774e-01 -3.181371e-05 9.999939e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 235 243 + CA_AB42_26 CG_AB42_27 1 0.000000e+00 1.028073e-05 ; 3.421083e-01 -1.028073e-05 9.276653e-01 7.153522e-01 0.000485 0.000060 True native_MD 5 235 244 + CA_AB42_26 OD1_AB42_27 1 0.000000e+00 3.253516e-06 ; 3.108311e-01 -3.253516e-06 5.357927e-01 3.191066e-01 0.000485 0.000060 True native_MD 6 235 245 + CA_AB42_26 ND2_AB42_27 1 0.000000e+00 9.474256e-06 ; 3.397873e-01 -9.474256e-06 7.144453e-01 4.406715e-01 0.000485 0.000060 True native_MD 6 235 246 + CA_AB42_26 C_AB42_27 1 0.000000e+00 1.305181e-05 ; 3.489803e-01 -1.305181e-05 9.999994e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 235 247 + CA_AB42_26 O_AB42_27 1 0.000000e+00 4.198634e-06 ; 3.175075e-01 -4.198634e-06 3.629094e-01 3.737693e-01 0.000485 0.000060 True native_MD 5 235 248 + CA_AB42_26 N_AB42_28 1 0.000000e+00 6.946719e-06 ; 3.311133e-01 -6.946719e-06 7.776003e-01 6.946610e-01 0.000485 0.000060 True native_MD 5 235 249 + CA_AB42_26 CA_AB42_28 1 0.000000e+00 5.866546e-05 ; 3.955429e-01 -5.866546e-05 7.859303e-01 6.808181e-01 0.000485 0.000060 True native_MD 6 235 251 CA_AB42_26 CB_AB42_28 1 6.455053e-03 9.788683e-05 ; 4.975126e-01 1.064181e-01 4.467719e-01 3.161672e-01 0.000485 0.001021 True native_MD 7 235 252 CA_AB42_26 CG_AB42_28 1 3.929861e-03 3.496330e-05 ; 4.552038e-01 1.104287e-01 3.669839e-01 2.303316e-01 0.000485 0.001021 True native_MD 7 235 253 CA_AB42_26 CD_AB42_28 1 6.004620e-03 7.480503e-05 ; 4.814755e-01 1.204981e-01 1.921287e-01 8.921326e-02 0.000485 0.001021 True native_MD 7 235 254 @@ -44928,7 +44928,7 @@ CG2_AB42_24 O2_AB42_42 1 0.000000e+00 1.214195e-06 ; 2.863205e-01 -1.214195 CA_AB42_26 CG2_AB42_31 1 1.514617e-03 4.625102e-06 ; 3.808931e-01 1.240008e-01 2.422606e-02 1.917400e-02 0.000485 0.001932 True native_MD 7 235 275 CA_AB42_26 CD_AB42_31 1 1.484231e-03 4.900508e-06 ; 3.858839e-01 1.123833e-01 2.970945e-02 3.329005e-02 0.000485 0.001932 True native_MD 7 235 276 CA_AB42_26 C_AB42_31 1 2.801515e-03 1.942797e-05 ; 4.366892e-01 1.009947e-01 4.195457e-03 4.579548e-03 0.000485 0.001339 True native_MD 7 235 277 - CA_AB42_26 O_AB42_31 1 0.000000e+00 4.176254e-06 ; 3.173661e-01 -4.176254e-06 1.569264e-03 7.048882e-03 0.000485 0.001339 True native_MD 7 235 278 + CA_AB42_26 O_AB42_31 1 0.000000e+00 4.176287e-06 ; 3.173663e-01 -4.176287e-06 1.569264e-03 7.048882e-03 0.000485 0.001339 True native_MD 7 235 278 CA_AB42_26 N_AB42_32 1 2.173527e-03 8.826088e-06 ; 3.994237e-01 1.338140e-01 3.275064e-03 8.408410e-04 0.000485 0.001339 True native_MD 7 235 279 CA_AB42_26 CA_AB42_32 1 3.584627e-03 3.210400e-05 ; 4.557072e-01 1.000619e-01 1.007168e-02 7.452842e-03 0.000485 0.000883 True native_MD 7 235 281 CA_AB42_26 CB_AB42_32 1 4.019129e-03 3.169640e-05 ; 4.461487e-01 1.274072e-01 2.343150e-02 7.649307e-03 0.000485 0.000883 True native_MD 7 235 282 @@ -44999,72 +44999,72 @@ CG2_AB42_24 O2_AB42_42 1 0.000000e+00 1.214195e-06 ; 2.863205e-01 -1.214195 CA_AB42_26 C_AB42_42 1 1.921393e-03 7.176936e-06 ; 3.939011e-01 1.285977e-01 2.801720e-03 5.885958e-04 0.000485 0.001339 True native_MD 7 235 358 CA_AB42_26 O1_AB42_42 1 3.696500e-04 3.148838e-07 ; 3.078884e-01 1.084854e-01 1.534728e-03 3.492083e-04 0.000485 0.001339 True native_MD 7 235 359 CA_AB42_26 O2_AB42_42 1 3.696500e-04 3.148838e-07 ; 3.078884e-01 1.084854e-01 1.534728e-03 3.492083e-04 0.000485 0.001339 True native_MD 7 235 360 - CB_AB42_26 OG_AB42_26 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 237 - CB_AB42_26 C_AB42_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 238 + CB_AB42_26 OG_AB42_26 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 237 + CB_AB42_26 C_AB42_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 238 CB_AB42_26 O_AB42_26 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 239 - CB_AB42_26 N_AB42_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 240 - CB_AB42_26 CA_AB42_27 1 0.000000e+00 3.181357e-05 ; 3.758772e-01 -3.181357e-05 1.000000e+00 9.999974e-01 0.000485 0.000060 True native_MD 4 236 242 - CB_AB42_26 CB_AB42_27 1 0.000000e+00 1.525047e-05 ; 3.535373e-01 -1.525047e-05 7.002985e-01 6.880935e-01 0.000485 0.000060 True native_MD 5 236 243 - CB_AB42_26 CG_AB42_27 1 0.000000e+00 5.411120e-06 ; 3.242915e-01 -5.411120e-06 3.631224e-01 2.174251e-01 0.000485 0.000060 True native_MD 6 236 244 + CB_AB42_26 N_AB42_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 240 + CB_AB42_26 CA_AB42_27 1 0.000000e+00 3.181344e-05 ; 3.758771e-01 -3.181344e-05 1.000000e+00 9.999974e-01 0.000485 0.000060 True native_MD 4 236 242 + CB_AB42_26 CB_AB42_27 1 0.000000e+00 1.525023e-05 ; 3.535369e-01 -1.525023e-05 7.002985e-01 6.880935e-01 0.000485 0.000060 True native_MD 5 236 243 + CB_AB42_26 CG_AB42_27 1 0.000000e+00 5.411029e-06 ; 3.242911e-01 -5.411029e-06 3.631224e-01 2.174251e-01 0.000485 0.000060 True native_MD 6 236 244 CB_AB42_26 OD1_AB42_27 1 5.079688e-04 5.417853e-07 ; 3.196429e-01 1.190657e-01 1.949119e-01 1.101659e-01 0.000485 0.001191 True native_MD 7 236 245 - CB_AB42_26 ND2_AB42_27 1 0.000000e+00 5.350643e-06 ; 3.239879e-01 -5.350643e-06 3.108379e-01 1.559855e-01 0.000485 0.000060 True native_MD 7 236 246 - CB_AB42_26 C_AB42_27 1 0.000000e+00 5.856176e-06 ; 3.264346e-01 -5.856176e-06 4.392202e-01 3.637880e-01 0.000485 0.000060 True native_MD 5 236 247 - CB_AB42_26 O_AB42_27 1 0.000000e+00 2.001489e-06 ; 2.984978e-01 -2.001489e-06 9.086899e-02 8.384020e-02 0.000485 0.000060 True native_MD 6 236 248 - CB_AB42_26 N_AB42_28 1 0.000000e+00 3.605656e-06 ; 3.135044e-01 -3.605656e-06 2.564155e-01 2.372576e-01 0.000485 0.000060 True native_MD 6 236 249 + CB_AB42_26 ND2_AB42_27 1 0.000000e+00 5.350613e-06 ; 3.239878e-01 -5.350613e-06 3.108379e-01 1.559855e-01 0.000485 0.000060 True native_MD 7 236 246 + CB_AB42_26 C_AB42_27 1 0.000000e+00 5.856078e-06 ; 3.264341e-01 -5.856078e-06 4.392202e-01 3.637880e-01 0.000485 0.000060 True native_MD 5 236 247 + CB_AB42_26 O_AB42_27 1 0.000000e+00 2.001481e-06 ; 2.984977e-01 -2.001481e-06 9.086899e-02 8.384020e-02 0.000485 0.000060 True native_MD 6 236 248 + CB_AB42_26 N_AB42_28 1 0.000000e+00 3.605608e-06 ; 3.135041e-01 -3.605608e-06 2.564155e-01 2.372576e-01 0.000485 0.000060 True native_MD 6 236 249 CB_AB42_26 CA_AB42_28 1 3.344826e-03 2.809925e-05 ; 4.508723e-01 9.953882e-02 2.892155e-01 2.514547e-01 0.000485 0.001021 True native_MD 7 236 251 CB_AB42_26 CB_AB42_28 1 2.671770e-03 1.628217e-05 ; 4.273846e-01 1.096038e-01 2.169310e-01 1.626989e-01 0.000485 0.001190 True native_MD 7 236 252 CB_AB42_26 CG_AB42_28 1 1.753263e-03 6.998425e-06 ; 3.982834e-01 1.098080e-01 1.780875e-01 1.327527e-01 0.000485 0.001190 True native_MD 7 236 253 CB_AB42_26 CD_AB42_28 1 2.273383e-03 1.156138e-05 ; 4.146893e-01 1.117572e-01 1.193737e-01 8.394307e-02 0.000485 0.001190 True native_MD 7 236 254 CB_AB42_26 CE_AB42_28 1 1.865215e-03 7.546085e-06 ; 3.991770e-01 1.152593e-01 1.110228e-01 7.030287e-02 0.000485 0.001190 True native_MD 7 236 255 - CB_AB42_26 NZ_AB42_28 1 0.000000e+00 3.636656e-06 ; 3.137282e-01 -3.636656e-06 4.210450e-02 3.137950e-02 0.000485 0.000060 True native_MD 7 236 256 - CB_AB42_26 C_AB42_28 1 0.000000e+00 6.022215e-06 ; 3.271960e-01 -6.022215e-06 1.109057e-01 6.168746e-02 0.000485 0.000060 True native_MD 7 236 257 + CB_AB42_26 NZ_AB42_28 1 0.000000e+00 3.636608e-06 ; 3.137278e-01 -3.636608e-06 4.210450e-02 3.137950e-02 0.000485 0.000060 True native_MD 7 236 256 + CB_AB42_26 C_AB42_28 1 0.000000e+00 6.022114e-06 ; 3.271956e-01 -6.022114e-06 1.109057e-01 6.168746e-02 0.000485 0.000060 True native_MD 7 236 257 CB_AB42_26 O_AB42_28 1 4.964620e-04 5.436222e-07 ; 3.210469e-01 1.133483e-01 4.429261e-02 2.970628e-02 0.000485 0.001191 True native_MD 7 236 258 - CB_AB42_26 N_AB42_29 1 0.000000e+00 3.602744e-06 ; 3.134833e-01 -3.602744e-06 1.083168e-01 8.836680e-02 0.000485 0.000060 True native_MD 7 236 259 + CB_AB42_26 N_AB42_29 1 0.000000e+00 3.602696e-06 ; 3.134830e-01 -3.602696e-06 1.083168e-01 8.836680e-02 0.000485 0.000060 True native_MD 7 236 259 CB_AB42_26 CA_AB42_29 1 1.327810e-03 4.119155e-06 ; 3.818962e-01 1.070050e-01 1.221432e-01 9.901681e-02 0.000485 0.001190 True native_MD 7 236 261 - CB_AB42_26 C_AB42_29 1 0.000000e+00 6.222707e-06 ; 3.280902e-01 -6.222707e-06 5.836731e-02 4.080263e-02 0.000485 0.000060 True native_MD 7 236 262 + CB_AB42_26 C_AB42_29 1 0.000000e+00 6.222603e-06 ; 3.280898e-01 -6.222603e-06 5.836731e-02 4.080263e-02 0.000485 0.000060 True native_MD 7 236 262 CB_AB42_26 O_AB42_29 1 3.991720e-04 4.398046e-07 ; 3.213783e-01 9.057334e-02 1.265390e-02 1.677797e-02 0.000485 0.001191 True native_MD 7 236 263 - CB_AB42_26 N_AB42_30 1 0.000000e+00 3.644177e-06 ; 3.137822e-01 -3.644177e-06 3.380724e-02 2.512822e-02 0.000485 0.000060 True native_MD 7 236 264 + CB_AB42_26 N_AB42_30 1 0.000000e+00 3.644129e-06 ; 3.137818e-01 -3.644129e-06 3.380724e-02 2.512822e-02 0.000485 0.000060 True native_MD 7 236 264 CB_AB42_26 CA_AB42_30 1 2.055926e-03 1.140607e-05 ; 4.207474e-01 9.264431e-02 4.759380e-02 5.086210e-02 0.000485 0.001021 True native_MD 7 236 266 CB_AB42_26 CB_AB42_30 1 1.278016e-03 3.293183e-06 ; 3.702655e-01 1.239928e-01 4.517196e-02 4.315362e-02 0.000485 0.002332 True native_MD 7 236 267 - CB_AB42_26 C_AB42_30 1 0.000000e+00 6.330005e-06 ; 3.285580e-01 -6.330005e-06 9.041769e-03 8.417156e-03 0.000485 0.000060 True native_MD 7 236 268 + CB_AB42_26 C_AB42_30 1 0.000000e+00 6.329899e-06 ; 3.285575e-01 -6.329899e-06 9.041769e-03 8.417156e-03 0.000485 0.000060 True native_MD 7 236 268 CB_AB42_26 O_AB42_30 1 2.928535e-04 2.207985e-07 ; 3.016877e-01 9.710570e-02 7.781128e-03 8.485134e-03 0.000485 0.001191 True native_MD 7 236 269 - CB_AB42_26 N_AB42_31 1 0.000000e+00 3.674078e-06 ; 3.139959e-01 -3.674078e-06 5.563529e-03 5.018543e-03 0.000485 0.000060 True native_MD 7 236 270 + CB_AB42_26 N_AB42_31 1 0.000000e+00 3.674030e-06 ; 3.139956e-01 -3.674030e-06 5.563529e-03 5.018543e-03 0.000485 0.000060 True native_MD 7 236 270 CB_AB42_26 CA_AB42_31 1 1.847933e-03 8.924287e-06 ; 4.111319e-01 9.566189e-02 1.717922e-02 1.677370e-02 0.000485 0.001021 True native_MD 7 236 272 CB_AB42_26 CB_AB42_31 1 1.685082e-03 7.380713e-06 ; 4.044947e-01 9.617977e-02 2.680612e-02 2.577084e-02 0.000485 0.001021 True native_MD 7 236 273 CB_AB42_26 CG1_AB42_31 1 1.220559e-03 3.752802e-06 ; 3.813287e-01 9.924340e-02 2.403483e-02 2.457849e-02 0.000485 0.001190 True native_MD 7 236 274 CB_AB42_26 CG2_AB42_31 1 1.106185e-03 2.384340e-06 ; 3.594099e-01 1.283002e-01 2.098567e-02 1.762337e-02 0.000485 0.002332 True native_MD 7 236 275 CB_AB42_26 CD_AB42_31 1 1.093826e-03 2.442650e-06 ; 3.615365e-01 1.224547e-01 2.741738e-02 2.742616e-02 0.000485 0.002332 True native_MD 7 236 276 - CB_AB42_26 C_AB42_31 1 0.000000e+00 6.355945e-06 ; 3.286700e-01 -6.355945e-06 1.994934e-03 5.465689e-03 0.000485 0.000060 True native_MD 7 236 277 - CB_AB42_26 O_AB42_31 1 0.000000e+00 2.028526e-06 ; 2.988317e-01 -2.028526e-06 9.023261e-04 7.287355e-03 0.000485 0.001191 True native_MD 7 236 278 - CB_AB42_26 N_AB42_32 1 0.000000e+00 3.674023e-06 ; 3.139955e-01 -3.674023e-06 1.789231e-03 1.229215e-03 0.000485 0.000060 True native_MD 7 236 279 + CB_AB42_26 C_AB42_31 1 0.000000e+00 6.355838e-06 ; 3.286695e-01 -6.355838e-06 1.994934e-03 5.465689e-03 0.000485 0.000060 True native_MD 7 236 277 + CB_AB42_26 O_AB42_31 1 0.000000e+00 2.028519e-06 ; 2.988316e-01 -2.028519e-06 9.023261e-04 7.287355e-03 0.000485 0.001191 True native_MD 7 236 278 + CB_AB42_26 N_AB42_32 1 0.000000e+00 3.673975e-06 ; 3.139952e-01 -3.673975e-06 1.789231e-03 1.229215e-03 0.000485 0.000060 True native_MD 7 236 279 CB_AB42_26 CA_AB42_32 1 3.222854e-03 2.789887e-05 ; 4.531316e-01 9.307535e-02 7.659077e-03 8.080127e-03 0.000485 0.001021 True native_MD 7 236 281 CB_AB42_26 CB_AB42_32 1 2.757569e-03 1.665928e-05 ; 4.267645e-01 1.141133e-01 1.634896e-02 9.189848e-03 0.000485 0.001021 True native_MD 7 236 282 CB_AB42_26 CG1_AB42_32 1 1.728684e-03 6.136418e-06 ; 3.905709e-01 1.217465e-01 1.648781e-02 8.598286e-03 0.000485 0.001190 True native_MD 7 236 283 CB_AB42_26 CG2_AB42_32 1 1.640378e-03 4.797627e-06 ; 3.781642e-01 1.402171e-01 1.283517e-02 7.545497e-03 0.000485 0.002332 True native_MD 7 236 284 CB_AB42_26 CD_AB42_32 1 1.348565e-03 3.182809e-06 ; 3.648854e-01 1.428476e-01 1.996071e-02 1.084614e-02 0.000485 0.002332 True native_MD 7 236 285 - CB_AB42_26 C_AB42_32 1 0.000000e+00 6.333059e-06 ; 3.285712e-01 -6.333059e-06 2.981584e-03 2.839236e-03 0.000485 0.000060 True native_MD 7 236 286 + CB_AB42_26 C_AB42_32 1 0.000000e+00 6.332953e-06 ; 3.285707e-01 -6.332953e-06 2.981584e-03 2.839236e-03 0.000485 0.000060 True native_MD 7 236 286 CB_AB42_26 O_AB42_32 1 4.024617e-04 3.566185e-07 ; 3.099178e-01 1.135495e-01 3.539472e-03 2.359609e-03 0.000485 0.001191 True native_MD 7 236 287 - CB_AB42_26 N_AB42_33 1 0.000000e+00 3.680150e-06 ; 3.140392e-01 -3.680150e-06 1.961241e-03 3.068007e-03 0.000485 0.000060 True native_MD 7 236 288 + CB_AB42_26 N_AB42_33 1 0.000000e+00 3.680102e-06 ; 3.140388e-01 -3.680102e-06 1.961241e-03 3.068007e-03 0.000485 0.000060 True native_MD 7 236 288 CB_AB42_26 CA_AB42_33 1 1.354579e-03 4.816666e-06 ; 3.906823e-01 9.523627e-02 5.727923e-03 6.603750e-03 0.000485 0.001190 True native_MD 7 236 290 - CB_AB42_26 C_AB42_33 1 0.000000e+00 6.319783e-06 ; 3.285137e-01 -6.319783e-06 4.601743e-03 2.363319e-03 0.000485 0.000060 True native_MD 7 236 291 + CB_AB42_26 C_AB42_33 1 0.000000e+00 6.319677e-06 ; 3.285133e-01 -6.319677e-06 4.601743e-03 2.363319e-03 0.000485 0.000060 True native_MD 7 236 291 CB_AB42_26 O_AB42_33 1 4.206893e-04 3.408836e-07 ; 3.053333e-01 1.297946e-01 3.738586e-03 1.532768e-03 0.000485 0.001191 True native_MD 7 236 292 - CB_AB42_26 N_AB42_34 1 0.000000e+00 3.667329e-06 ; 3.139478e-01 -3.667329e-06 3.035793e-03 6.547142e-04 0.000485 0.000060 True native_MD 7 236 293 + CB_AB42_26 N_AB42_34 1 0.000000e+00 3.667280e-06 ; 3.139475e-01 -3.667280e-06 3.035793e-03 6.547142e-04 0.000485 0.000060 True native_MD 7 236 293 CB_AB42_26 CA_AB42_34 1 1.810706e-03 6.059472e-06 ; 3.867507e-01 1.352699e-01 7.342396e-03 2.191244e-03 0.000485 0.001021 True native_MD 7 236 295 CB_AB42_26 CB_AB42_34 1 2.514990e-03 1.129078e-05 ; 4.061607e-01 1.400518e-01 7.528297e-03 2.270061e-03 0.000485 0.001190 True native_MD 7 236 296 CB_AB42_26 CG_AB42_34 1 2.683322e-03 1.418986e-05 ; 4.173985e-01 1.268549e-01 1.677100e-02 6.438411e-03 0.000485 0.001021 True native_MD 7 236 297 CB_AB42_26 CD1_AB42_34 1 1.265535e-03 2.599406e-06 ; 3.565332e-01 1.540331e-01 1.468456e-02 5.709333e-03 0.000485 0.002332 True native_MD 7 236 298 CB_AB42_26 CD2_AB42_34 1 1.200143e-03 2.369008e-06 ; 3.541786e-01 1.519985e-01 1.331300e-02 5.501027e-03 0.000485 0.002332 True native_MD 7 236 299 - CB_AB42_26 C_AB42_34 1 0.000000e+00 6.326052e-06 ; 3.285409e-01 -6.326052e-06 1.828802e-03 5.800774e-04 0.000485 0.000060 True native_MD 7 236 300 + CB_AB42_26 C_AB42_34 1 0.000000e+00 6.325945e-06 ; 3.285404e-01 -6.325945e-06 1.828802e-03 5.800774e-04 0.000485 0.000060 True native_MD 7 236 300 CB_AB42_26 O_AB42_34 1 4.392166e-04 4.643194e-07 ; 3.191707e-01 1.038677e-01 1.336650e-03 6.648646e-04 0.000485 0.001191 True native_MD 7 236 301 - CB_AB42_26 N_AB42_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 302 + CB_AB42_26 N_AB42_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 302 CB_AB42_26 CA_AB42_35 1 5.230822e-03 7.853959e-05 ; 4.966912e-01 8.709460e-02 1.738334e-03 2.193334e-03 0.000485 0.001021 True native_MD 7 236 304 CB_AB42_26 CB_AB42_35 1 1.688407e-03 7.892723e-06 ; 4.089074e-01 9.029582e-02 1.568491e-03 2.096452e-03 0.000485 0.001190 True native_MD 7 236 305 CB_AB42_26 CG_AB42_35 1 1.378443e-03 4.737342e-06 ; 3.884701e-01 1.002727e-01 2.594784e-03 2.572986e-03 0.000485 0.001190 True native_MD 7 236 306 - CB_AB42_26 SD_AB42_35 1 0.000000e+00 6.474542e-06 ; 3.291767e-01 -6.474542e-06 3.931593e-03 2.305762e-03 0.000485 0.000060 True native_MD 7 236 307 + CB_AB42_26 SD_AB42_35 1 0.000000e+00 6.474531e-06 ; 3.291767e-01 -6.474531e-06 3.931593e-03 2.305762e-03 0.000485 0.000060 True native_MD 7 236 307 CB_AB42_26 CE_AB42_35 1 1.485892e-03 4.233632e-06 ; 3.765196e-01 1.303772e-01 5.526939e-03 4.361720e-03 0.000485 0.002332 True native_MD 7 236 308 - CB_AB42_26 C_AB42_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 309 + CB_AB42_26 C_AB42_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 309 CB_AB42_26 O_AB42_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 4.701251e-04 9.273047e-04 0.000485 0.001191 True native_MD 7 236 310 - CB_AB42_26 N_AB42_36 1 0.000000e+00 3.675216e-06 ; 3.140040e-01 -3.675216e-06 5.543950e-04 3.190211e-04 0.000485 0.000060 True native_MD 7 236 311 + CB_AB42_26 N_AB42_36 1 0.000000e+00 3.675168e-06 ; 3.140037e-01 -3.675168e-06 5.543950e-04 3.190211e-04 0.000485 0.000060 True native_MD 7 236 311 CB_AB42_26 CA_AB42_36 1 9.387301e-03 1.131263e-04 ; 4.788180e-01 1.947413e-01 2.961365e-02 1.490785e-03 0.000485 0.001021 True native_MD 7 236 313 CB_AB42_26 CB_AB42_36 1 5.388422e-03 3.744229e-05 ; 4.368344e-01 1.938656e-01 6.206319e-02 3.207291e-03 0.000485 0.001021 True native_MD 7 236 314 CB_AB42_26 CG1_AB42_36 1 1.910917e-03 4.766105e-06 ; 3.682592e-01 1.915403e-01 2.004281e-02 2.536387e-03 0.000485 0.002332 True native_MD 7 236 315 @@ -45084,46 +45084,46 @@ CG2_AB42_24 O2_AB42_42 1 0.000000e+00 1.214195e-06 ; 2.863205e-01 -1.214195 CB_AB42_26 CB_AB42_39 1 2.650001e-03 1.128988e-05 ; 4.026310e-01 1.555045e-01 1.071686e-02 1.745577e-03 0.000485 0.001021 True native_MD 7 236 332 CB_AB42_26 CG1_AB42_39 1 1.458621e-03 3.639651e-06 ; 3.682868e-01 1.461387e-01 4.735871e-03 1.435853e-03 0.000485 0.002332 True native_MD 7 236 333 CB_AB42_26 CG2_AB42_39 1 2.047444e-03 6.535694e-06 ; 3.837190e-01 1.603512e-01 7.246275e-03 1.363870e-03 0.000485 0.002332 True native_MD 7 236 334 - CB_AB42_26 C_AB42_39 1 0.000000e+00 6.316231e-06 ; 3.284983e-01 -6.316231e-06 3.216671e-03 4.175245e-04 0.000485 0.000060 True native_MD 7 236 335 + CB_AB42_26 C_AB42_39 1 0.000000e+00 6.316125e-06 ; 3.284979e-01 -6.316125e-06 3.216671e-03 4.175245e-04 0.000485 0.000060 True native_MD 7 236 335 CB_AB42_26 O_AB42_39 1 7.064820e-04 9.761097e-07 ; 3.337333e-01 1.278332e-01 2.738349e-03 4.989826e-04 0.000485 0.001191 True native_MD 7 236 336 - CB_AB42_26 N_AB42_40 1 0.000000e+00 3.672445e-06 ; 3.139843e-01 -3.672445e-06 1.175769e-03 1.863944e-04 0.000485 0.000060 True native_MD 7 236 337 + CB_AB42_26 N_AB42_40 1 0.000000e+00 3.672396e-06 ; 3.139840e-01 -3.672396e-06 1.175769e-03 1.863944e-04 0.000485 0.000060 True native_MD 7 236 337 CB_AB42_26 CA_AB42_40 1 3.899333e-03 2.655753e-05 ; 4.353777e-01 1.431308e-01 5.952856e-03 1.404151e-03 0.000485 0.001021 True native_MD 7 236 339 CB_AB42_26 CB_AB42_40 1 2.457018e-03 1.034394e-05 ; 4.018336e-01 1.459052e-01 1.009412e-02 2.191284e-03 0.000485 0.001021 True native_MD 7 236 340 CB_AB42_26 CG1_AB42_40 1 1.444926e-03 3.305881e-06 ; 3.630002e-01 1.578862e-01 6.730968e-03 1.903814e-03 0.000485 0.002332 True native_MD 7 236 341 CB_AB42_26 CG2_AB42_40 1 1.519911e-03 3.489800e-06 ; 3.632150e-01 1.654916e-01 8.451273e-03 1.393673e-03 0.000485 0.002332 True native_MD 7 236 342 - CB_AB42_26 C_AB42_40 1 0.000000e+00 6.325256e-06 ; 3.285374e-01 -6.325256e-06 1.766012e-03 3.917410e-04 0.000485 0.000060 True native_MD 7 236 343 + CB_AB42_26 C_AB42_40 1 0.000000e+00 6.325150e-06 ; 3.285370e-01 -6.325150e-06 1.766012e-03 3.917410e-04 0.000485 0.000060 True native_MD 7 236 343 CB_AB42_26 O_AB42_40 1 3.261808e-04 2.266317e-07 ; 2.976074e-01 1.173643e-01 2.001836e-03 5.010383e-04 0.000485 0.001191 True native_MD 7 236 344 - CB_AB42_26 N_AB42_41 1 0.000000e+00 3.673976e-06 ; 3.139952e-01 -3.673976e-06 7.433363e-04 1.704888e-04 0.000485 0.000060 True native_MD 7 236 345 + CB_AB42_26 N_AB42_41 1 0.000000e+00 3.673927e-06 ; 3.139949e-01 -3.673927e-06 7.433363e-04 1.704888e-04 0.000485 0.000060 True native_MD 7 236 345 CB_AB42_26 CA_AB42_41 1 3.380261e-03 1.981491e-05 ; 4.246264e-01 1.441612e-01 4.608979e-03 1.054146e-03 0.000485 0.001021 True native_MD 7 236 347 CB_AB42_26 CB_AB42_41 1 2.353661e-03 1.034882e-05 ; 4.047540e-01 1.338250e-01 5.494862e-03 1.712338e-03 0.000485 0.001021 True native_MD 7 236 348 CB_AB42_26 CG1_AB42_41 1 1.706293e-03 5.023019e-06 ; 3.785749e-01 1.449047e-01 4.564170e-03 1.103133e-03 0.000485 0.001190 True native_MD 7 236 349 CB_AB42_26 CG2_AB42_41 1 1.732882e-03 5.109724e-06 ; 3.786792e-01 1.469198e-01 4.847876e-03 1.886227e-03 0.000485 0.002332 True native_MD 7 236 350 CB_AB42_26 CD_AB42_41 1 1.591177e-03 4.237505e-06 ; 3.723048e-01 1.493711e-01 5.216873e-03 2.171324e-03 0.000485 0.002332 True native_MD 7 236 351 - CB_AB42_26 C_AB42_41 1 0.000000e+00 6.321046e-06 ; 3.285192e-01 -6.321046e-06 2.358518e-03 3.195573e-04 0.000485 0.000060 True native_MD 7 236 352 + CB_AB42_26 C_AB42_41 1 0.000000e+00 6.320940e-06 ; 3.285187e-01 -6.320940e-06 2.358518e-03 3.195573e-04 0.000485 0.000060 True native_MD 7 236 352 CB_AB42_26 O_AB42_41 1 4.261340e-04 3.804363e-07 ; 3.103054e-01 1.193302e-01 2.123140e-03 2.876758e-04 0.000485 0.001191 True native_MD 7 236 353 - CB_AB42_26 N_AB42_42 1 0.000000e+00 3.670135e-06 ; 3.139678e-01 -3.670135e-06 1.899446e-03 2.818656e-04 0.000485 0.000060 True native_MD 7 236 354 + CB_AB42_26 N_AB42_42 1 0.000000e+00 3.670087e-06 ; 3.139675e-01 -3.670087e-06 1.899446e-03 2.818656e-04 0.000485 0.000060 True native_MD 7 236 354 CB_AB42_26 CA_AB42_42 1 3.000447e-03 1.639422e-05 ; 4.196792e-01 1.372844e-01 7.395726e-03 2.078034e-03 0.000485 0.001021 True native_MD 7 236 356 CB_AB42_26 CB_AB42_42 1 1.687869e-03 4.427032e-06 ; 3.713604e-01 1.608811e-01 7.362094e-03 1.538708e-03 0.000485 0.002332 True native_MD 7 236 357 - CB_AB42_26 C_AB42_42 1 0.000000e+00 6.324575e-06 ; 3.285345e-01 -6.324575e-06 2.333954e-03 8.520771e-04 0.000485 0.000060 True native_MD 7 236 358 - CB_AB42_26 O1_AB42_42 1 0.000000e+00 1.630174e-06 ; 2.934367e-01 -1.630174e-06 1.489112e-03 5.829952e-04 0.000485 0.000060 True native_MD 7 236 359 - CB_AB42_26 O2_AB42_42 1 0.000000e+00 1.630174e-06 ; 2.934367e-01 -1.630174e-06 1.489112e-03 5.829952e-04 0.000485 0.000060 True native_MD 7 236 360 - OG_AB42_26 O_AB42_26 1 0.000000e+00 3.212943e-07 ; 2.562931e-01 -3.212943e-07 7.207836e-01 6.049027e-01 0.000485 0.000060 True native_MD 4 237 239 - OG_AB42_26 N_AB42_27 1 0.000000e+00 6.096609e-07 ; 2.703454e-01 -6.096609e-07 7.030535e-01 6.229255e-01 0.000485 0.000060 True native_MD 4 237 240 - OG_AB42_26 H_AB42_27 1 0.000000e+00 1.803405e-08 ; 2.016057e-01 -1.803405e-08 2.872213e-01 1.288729e-01 0.000485 0.000060 True native_MD 5 237 241 - OG_AB42_26 CA_AB42_27 1 0.000000e+00 4.954783e-06 ; 3.219193e-01 -4.954783e-06 5.999557e-01 4.637997e-01 0.000485 0.000060 True native_MD 5 237 242 - OG_AB42_26 CB_AB42_27 1 0.000000e+00 2.614123e-06 ; 3.052147e-01 -2.614123e-06 1.596238e-01 9.877164e-02 0.000485 0.000060 True native_MD 6 237 243 + CB_AB42_26 C_AB42_42 1 0.000000e+00 6.324469e-06 ; 3.285340e-01 -6.324469e-06 2.333954e-03 8.520771e-04 0.000485 0.000060 True native_MD 7 236 358 + CB_AB42_26 O1_AB42_42 1 0.000000e+00 1.630168e-06 ; 2.934367e-01 -1.630168e-06 1.489112e-03 5.829952e-04 0.000485 0.000060 True native_MD 7 236 359 + CB_AB42_26 O2_AB42_42 1 0.000000e+00 1.630168e-06 ; 2.934367e-01 -1.630168e-06 1.489112e-03 5.829952e-04 0.000485 0.000060 True native_MD 7 236 360 + OG_AB42_26 O_AB42_26 1 0.000000e+00 3.212934e-07 ; 2.562930e-01 -3.212934e-07 7.207836e-01 6.049027e-01 0.000485 0.000060 True native_MD 4 237 239 + OG_AB42_26 N_AB42_27 1 0.000000e+00 6.096534e-07 ; 2.703452e-01 -6.096534e-07 7.030535e-01 6.229255e-01 0.000485 0.000060 True native_MD 4 237 240 + OG_AB42_26 H_AB42_27 1 0.000000e+00 1.803414e-08 ; 2.016058e-01 -1.803414e-08 2.872213e-01 1.288729e-01 0.000485 0.000060 True native_MD 5 237 241 + OG_AB42_26 CA_AB42_27 1 0.000000e+00 4.954766e-06 ; 3.219192e-01 -4.954766e-06 5.999557e-01 4.637997e-01 0.000485 0.000060 True native_MD 5 237 242 + OG_AB42_26 CB_AB42_27 1 0.000000e+00 2.614084e-06 ; 3.052144e-01 -2.614084e-06 1.596238e-01 9.877164e-02 0.000485 0.000060 True native_MD 6 237 243 OG_AB42_26 CG_AB42_27 1 7.681625e-04 9.893691e-07 ; 3.298508e-01 1.491035e-01 1.460096e-01 6.111079e-02 0.000485 0.002166 True native_MD 7 237 244 OG_AB42_26 OD1_AB42_27 1 1.477969e-04 3.822394e-08 ; 2.524130e-01 1.428680e-01 8.726562e-02 4.401813e-02 0.000485 0.002166 True native_MD 7 237 245 OG_AB42_26 ND2_AB42_27 1 2.866564e-04 1.366605e-07 ; 2.794990e-01 1.503212e-01 1.324779e-01 5.346472e-02 0.000485 0.002166 True native_MD 7 237 246 - OG_AB42_26 C_AB42_27 1 0.000000e+00 9.688885e-07 ; 2.809859e-01 -9.688885e-07 2.187985e-01 6.724145e-02 0.000485 0.000060 True native_MD 6 237 247 + OG_AB42_26 C_AB42_27 1 0.000000e+00 9.688731e-07 ; 2.809855e-01 -9.688731e-07 2.187985e-01 6.724145e-02 0.000485 0.000060 True native_MD 6 237 247 OG_AB42_26 O_AB42_27 1 3.174318e-04 1.846436e-07 ; 2.889220e-01 1.364290e-01 5.273688e-02 3.225443e-02 0.000485 0.002166 True native_MD 7 237 248 OG_AB42_26 N_AB42_28 1 2.737672e-04 1.267746e-07 ; 2.781475e-01 1.477987e-01 2.073898e-01 9.025868e-02 0.000485 0.002166 True native_MD 7 237 249 OG_AB42_26 H_AB42_28 1 1.732592e-05 4.002247e-10 ; 1.687594e-01 1.875119e-01 1.762404e-01 5.735563e-02 0.000485 0.005316 True native_MD 7 237 250 OG_AB42_26 CA_AB42_28 1 8.819044e-04 1.498657e-06 ; 3.454460e-01 1.297420e-01 2.243073e-01 1.035800e-01 0.000485 0.001339 True native_MD 7 237 251 - OG_AB42_26 CB_AB42_28 1 0.000000e+00 2.421730e-06 ; 3.032765e-01 -2.421730e-06 2.083072e-01 7.833607e-02 0.000485 0.000060 True native_MD 7 237 252 - OG_AB42_26 CG_AB42_28 1 0.000000e+00 2.451925e-06 ; 3.035899e-01 -2.451925e-06 1.874761e-01 6.835252e-02 0.000485 0.000060 True native_MD 7 237 253 - OG_AB42_26 CD_AB42_28 1 0.000000e+00 2.537648e-06 ; 3.044605e-01 -2.537648e-06 1.340705e-01 4.574404e-02 0.000485 0.000060 True native_MD 7 237 254 - OG_AB42_26 CE_AB42_28 1 0.000000e+00 2.604498e-06 ; 3.051209e-01 -2.604498e-06 1.031669e-01 3.885664e-02 0.000485 0.000060 True native_MD 7 237 255 + OG_AB42_26 CB_AB42_28 1 0.000000e+00 2.421694e-06 ; 3.032762e-01 -2.421694e-06 2.083072e-01 7.833607e-02 0.000485 0.000060 True native_MD 7 237 252 + OG_AB42_26 CG_AB42_28 1 0.000000e+00 2.451888e-06 ; 3.035895e-01 -2.451888e-06 1.874761e-01 6.835252e-02 0.000485 0.000060 True native_MD 7 237 253 + OG_AB42_26 CD_AB42_28 1 0.000000e+00 2.537611e-06 ; 3.044601e-01 -2.537611e-06 1.340705e-01 4.574404e-02 0.000485 0.000060 True native_MD 7 237 254 + OG_AB42_26 CE_AB42_28 1 0.000000e+00 2.604459e-06 ; 3.051205e-01 -2.604459e-06 1.031669e-01 3.885664e-02 0.000485 0.000060 True native_MD 7 237 255 OG_AB42_26 NZ_AB42_28 1 1.602240e-04 4.568101e-08 ; 2.565476e-01 1.404945e-01 3.308141e-02 1.791495e-02 0.000485 0.002166 True native_MD 7 237 256 OG_AB42_26 C_AB42_28 1 1.031643e-03 1.646129e-06 ; 3.418396e-01 1.616349e-01 1.112744e-01 3.200855e-02 0.000485 0.002166 True native_MD 7 237 257 OG_AB42_26 O_AB42_28 1 1.823318e-04 5.582775e-08 ; 2.596159e-01 1.488725e-01 4.084437e-02 1.721402e-02 0.000485 0.002166 True native_MD 7 237 258 @@ -45135,25 +45135,25 @@ CG2_AB42_24 O2_AB42_42 1 0.000000e+00 1.214195e-06 ; 2.863205e-01 -1.214195 OG_AB42_26 N_AB42_30 1 1.749196e-04 8.038477e-08 ; 2.777938e-01 9.515753e-02 6.873690e-03 1.445609e-02 0.000485 0.002166 True native_MD 7 237 264 OG_AB42_26 H_AB42_30 1 9.990607e-06 1.978615e-10 ; 1.644857e-01 1.261137e-01 2.601007e-03 3.988779e-03 0.000485 0.005316 True native_MD 7 237 265 OG_AB42_26 CA_AB42_30 1 7.846814e-04 1.558381e-06 ; 3.545385e-01 9.877636e-02 2.089414e-02 2.437291e-02 0.000485 0.001339 True native_MD 7 237 266 - OG_AB42_26 CB_AB42_30 1 0.000000e+00 2.072612e-06 ; 2.993676e-01 -2.072612e-06 2.375678e-02 2.167976e-02 0.000485 0.000060 True native_MD 7 237 267 + OG_AB42_26 CB_AB42_30 1 0.000000e+00 2.072589e-06 ; 2.993674e-01 -2.072589e-06 2.375678e-02 2.167976e-02 0.000485 0.000060 True native_MD 7 237 267 OG_AB42_26 C_AB42_30 1 6.891886e-04 9.645446e-07 ; 3.344496e-01 1.231102e-01 5.559996e-03 5.065682e-03 0.000485 0.002166 True native_MD 7 237 268 OG_AB42_26 O_AB42_30 1 1.023981e-04 2.324309e-08 ; 2.469830e-01 1.127794e-01 5.262064e-03 6.531250e-03 0.000485 0.002166 True native_MD 7 237 269 OG_AB42_26 N_AB42_31 1 3.402422e-04 2.457226e-07 ; 2.995317e-01 1.177799e-01 2.691090e-03 2.875900e-03 0.000485 0.002166 True native_MD 7 237 270 OG_AB42_26 H_AB42_31 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 237 271 OG_AB42_26 CA_AB42_31 1 7.468925e-04 1.440187e-06 ; 3.527986e-01 9.683609e-02 7.593545e-03 9.387382e-03 0.000485 0.001339 True native_MD 7 237 272 - OG_AB42_26 CB_AB42_31 1 0.000000e+00 5.737577e-06 ; 3.258785e-01 -5.737577e-06 1.389451e-02 1.421509e-02 0.000485 0.000060 True native_MD 7 237 273 - OG_AB42_26 CG1_AB42_31 1 0.000000e+00 2.782142e-06 ; 3.068032e-01 -2.782142e-06 1.466219e-02 1.417218e-02 0.000485 0.000060 True native_MD 7 237 274 - OG_AB42_26 CG2_AB42_31 1 0.000000e+00 2.074193e-06 ; 2.993866e-01 -2.074193e-06 1.216651e-02 1.085040e-02 0.000485 0.000060 True native_MD 7 237 275 - OG_AB42_26 CD_AB42_31 1 0.000000e+00 2.076963e-06 ; 2.994200e-01 -2.076963e-06 1.670635e-02 1.672427e-02 0.000485 0.000060 True native_MD 7 237 276 + OG_AB42_26 CB_AB42_31 1 0.000000e+00 5.737557e-06 ; 3.258784e-01 -5.737557e-06 1.389451e-02 1.421509e-02 0.000485 0.000060 True native_MD 7 237 273 + OG_AB42_26 CG1_AB42_31 1 0.000000e+00 2.782100e-06 ; 3.068029e-01 -2.782100e-06 1.466219e-02 1.417218e-02 0.000485 0.000060 True native_MD 7 237 274 + OG_AB42_26 CG2_AB42_31 1 0.000000e+00 2.074169e-06 ; 2.993864e-01 -2.074169e-06 1.216651e-02 1.085040e-02 0.000485 0.000060 True native_MD 7 237 275 + OG_AB42_26 CD_AB42_31 1 0.000000e+00 2.076940e-06 ; 2.994197e-01 -2.076940e-06 1.670635e-02 1.672427e-02 0.000485 0.000060 True native_MD 7 237 276 OG_AB42_26 C_AB42_31 1 4.675381e-04 5.965752e-07 ; 3.293376e-01 9.160281e-02 1.239275e-03 2.898823e-03 0.000485 0.002166 True native_MD 7 237 277 - OG_AB42_26 O_AB42_31 1 0.000000e+00 3.648399e-07 ; 2.590221e-01 -3.648399e-07 6.156398e-04 4.561147e-03 0.000485 0.002166 True native_MD 7 237 278 + OG_AB42_26 O_AB42_31 1 0.000000e+00 3.648389e-07 ; 2.590221e-01 -3.648389e-07 6.156398e-04 4.561147e-03 0.000485 0.002166 True native_MD 7 237 278 OG_AB42_26 N_AB42_32 1 1.600560e-04 6.596661e-08 ; 2.727985e-01 9.708672e-02 1.091157e-03 9.593860e-04 0.000485 0.002166 True native_MD 7 237 279 OG_AB42_26 H_AB42_32 1 1.238442e-05 4.692489e-10 ; 1.832686e-01 8.171236e-02 6.887662e-04 2.448307e-04 0.000485 0.005316 True native_MD 7 237 280 OG_AB42_26 CA_AB42_32 1 1.227706e-03 3.565783e-06 ; 3.777259e-01 1.056753e-01 5.242114e-03 4.974227e-03 0.000485 0.001339 True native_MD 7 237 281 - OG_AB42_26 CB_AB42_32 1 0.000000e+00 5.706275e-06 ; 3.257300e-01 -5.706275e-06 1.032309e-02 5.186438e-03 0.000485 0.000060 True native_MD 7 237 282 - OG_AB42_26 CG1_AB42_32 1 0.000000e+00 2.767840e-06 ; 3.066715e-01 -2.767840e-06 1.058297e-02 4.954884e-03 0.000485 0.000060 True native_MD 7 237 283 - OG_AB42_26 CG2_AB42_32 1 0.000000e+00 2.067973e-06 ; 2.993117e-01 -2.067973e-06 8.929159e-03 4.618107e-03 0.000485 0.000060 True native_MD 7 237 284 - OG_AB42_26 CD_AB42_32 1 0.000000e+00 2.065217e-06 ; 2.992785e-01 -2.065217e-06 1.140157e-02 5.763872e-03 0.000485 0.000060 True native_MD 7 237 285 + OG_AB42_26 CB_AB42_32 1 0.000000e+00 5.706256e-06 ; 3.257299e-01 -5.706256e-06 1.032309e-02 5.186438e-03 0.000485 0.000060 True native_MD 7 237 282 + OG_AB42_26 CG1_AB42_32 1 0.000000e+00 2.767799e-06 ; 3.066711e-01 -2.767799e-06 1.058297e-02 4.954884e-03 0.000485 0.000060 True native_MD 7 237 283 + OG_AB42_26 CG2_AB42_32 1 0.000000e+00 2.067949e-06 ; 2.993114e-01 -2.067949e-06 8.929159e-03 4.618107e-03 0.000485 0.000060 True native_MD 7 237 284 + OG_AB42_26 CD_AB42_32 1 0.000000e+00 2.065194e-06 ; 2.992782e-01 -2.065194e-06 1.140157e-02 5.763872e-03 0.000485 0.000060 True native_MD 7 237 285 OG_AB42_26 C_AB42_32 1 8.525465e-04 1.388980e-06 ; 3.430281e-01 1.308218e-01 2.994543e-03 1.783205e-03 0.000485 0.002166 True native_MD 7 237 286 OG_AB42_26 O_AB42_32 1 9.492754e-05 1.673038e-08 ; 2.367840e-01 1.346538e-01 3.358413e-03 1.911233e-03 0.000485 0.002166 True native_MD 7 237 287 OG_AB42_26 N_AB42_33 1 4.886632e-04 7.387154e-07 ; 3.387749e-01 8.081315e-02 6.704788e-04 1.813365e-03 0.000485 0.002166 True native_MD 7 237 288 @@ -45164,22 +45164,22 @@ CG2_AB42_24 O2_AB42_42 1 0.000000e+00 1.214195e-06 ; 2.863205e-01 -1.214195 OG_AB42_26 N_AB42_34 1 4.977584e-04 5.610053e-07 ; 3.225953e-01 1.104105e-01 1.625742e-03 5.268666e-04 0.000485 0.002166 True native_MD 7 237 293 OG_AB42_26 H_AB42_34 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 237 294 OG_AB42_26 CA_AB42_34 1 1.132007e-03 2.167643e-06 ; 3.523896e-01 1.477917e-01 4.976035e-03 9.739204e-04 0.000485 0.001339 True native_MD 7 237 295 - OG_AB42_26 CB_AB42_34 1 0.000000e+00 2.777102e-06 ; 3.067569e-01 -2.777102e-06 3.585376e-03 1.284656e-03 0.000485 0.000060 True native_MD 7 237 296 - OG_AB42_26 CG_AB42_34 1 0.000000e+00 5.697476e-06 ; 3.256881e-01 -5.697476e-06 1.028876e-02 3.617974e-03 0.000485 0.000060 True native_MD 7 237 297 - OG_AB42_26 CD1_AB42_34 1 0.000000e+00 2.064343e-06 ; 2.992679e-01 -2.064343e-06 9.265302e-03 3.206940e-03 0.000485 0.000060 True native_MD 7 237 298 - OG_AB42_26 CD2_AB42_34 1 0.000000e+00 2.065770e-06 ; 2.992851e-01 -2.065770e-06 8.584781e-03 3.213104e-03 0.000485 0.000060 True native_MD 7 237 299 + OG_AB42_26 CB_AB42_34 1 0.000000e+00 2.777060e-06 ; 3.067565e-01 -2.777060e-06 3.585376e-03 1.284656e-03 0.000485 0.000060 True native_MD 7 237 296 + OG_AB42_26 CG_AB42_34 1 0.000000e+00 5.697457e-06 ; 3.256880e-01 -5.697457e-06 1.028876e-02 3.617974e-03 0.000485 0.000060 True native_MD 7 237 297 + OG_AB42_26 CD1_AB42_34 1 0.000000e+00 2.064320e-06 ; 2.992676e-01 -2.064320e-06 9.265302e-03 3.206940e-03 0.000485 0.000060 True native_MD 7 237 298 + OG_AB42_26 CD2_AB42_34 1 0.000000e+00 2.065746e-06 ; 2.992849e-01 -2.065746e-06 8.584781e-03 3.213104e-03 0.000485 0.000060 True native_MD 7 237 299 OG_AB42_26 C_AB42_34 1 8.295514e-04 2.223353e-06 ; 3.727012e-01 7.737813e-02 6.049804e-04 2.817015e-04 0.000485 0.002166 True native_MD 7 237 300 OG_AB42_26 O_AB42_34 1 1.896795e-04 1.254403e-07 ; 2.951681e-01 7.170406e-02 5.105018e-04 4.094696e-04 0.000485 0.002166 True native_MD 7 237 301 OG_AB42_26 H_AB42_35 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 237 303 OG_AB42_26 CA_AB42_35 1 1.166563e-03 4.197677e-06 ; 3.914564e-01 8.104900e-02 6.752278e-04 1.112691e-03 0.000485 0.001339 True native_MD 7 237 304 - OG_AB42_26 CB_AB42_35 1 0.000000e+00 2.783421e-06 ; 3.068150e-01 -2.783421e-06 1.049288e-03 1.018869e-03 0.000485 0.000060 True native_MD 7 237 305 - OG_AB42_26 CG_AB42_35 1 0.000000e+00 2.783493e-06 ; 3.068157e-01 -2.783493e-06 1.410660e-03 1.406254e-03 0.000485 0.000060 True native_MD 7 237 306 - OG_AB42_26 CE_AB42_35 1 0.000000e+00 2.076963e-06 ; 2.994200e-01 -2.076963e-06 2.829666e-03 2.847571e-03 0.000485 0.000060 True native_MD 7 237 308 + OG_AB42_26 CB_AB42_35 1 0.000000e+00 2.783379e-06 ; 3.068146e-01 -2.783379e-06 1.049288e-03 1.018869e-03 0.000485 0.000060 True native_MD 7 237 305 + OG_AB42_26 CG_AB42_35 1 0.000000e+00 2.783452e-06 ; 3.068153e-01 -2.783452e-06 1.410660e-03 1.406254e-03 0.000485 0.000060 True native_MD 7 237 306 + OG_AB42_26 CE_AB42_35 1 0.000000e+00 2.076940e-06 ; 2.994197e-01 -2.076940e-06 2.829666e-03 2.847571e-03 0.000485 0.000060 True native_MD 7 237 308 OG_AB42_26 H_AB42_36 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 237 312 OG_AB42_26 CA_AB42_36 1 1.844107e-03 5.398893e-06 ; 3.782275e-01 1.574736e-01 6.648367e-03 8.617449e-04 0.000485 0.001339 True native_MD 7 237 313 OG_AB42_26 CB_AB42_36 1 5.672813e-04 9.656920e-07 ; 3.455466e-01 8.331024e-02 2.184423e-02 1.805433e-03 0.000485 0.000060 True native_MD 7 237 314 - OG_AB42_26 CG1_AB42_36 1 0.000000e+00 2.061041e-06 ; 2.992280e-01 -2.061041e-06 9.156618e-03 1.508054e-03 0.000485 0.000060 True native_MD 7 237 315 - OG_AB42_26 CG2_AB42_36 1 0.000000e+00 2.065797e-06 ; 2.992855e-01 -2.065797e-06 7.118557e-03 1.759850e-03 0.000485 0.000060 True native_MD 7 237 316 + OG_AB42_26 CG1_AB42_36 1 0.000000e+00 2.061018e-06 ; 2.992277e-01 -2.061018e-06 9.156618e-03 1.508054e-03 0.000485 0.000060 True native_MD 7 237 315 + OG_AB42_26 CG2_AB42_36 1 0.000000e+00 2.065773e-06 ; 2.992852e-01 -2.065773e-06 7.118557e-03 1.759850e-03 0.000485 0.000060 True native_MD 7 237 316 OG_AB42_26 C_AB42_36 1 9.874324e-04 1.647886e-06 ; 3.444054e-01 1.479202e-01 4.995207e-03 3.562475e-04 0.000485 0.002166 True native_MD 7 237 317 OG_AB42_26 O_AB42_36 1 8.984194e-05 1.957078e-08 ; 2.452947e-01 1.031075e-01 1.306582e-03 6.069325e-04 0.000485 0.002166 True native_MD 7 237 318 OG_AB42_26 N_AB42_37 1 5.041187e-04 3.098979e-07 ; 2.915956e-01 2.050156e-01 2.758056e-02 5.820066e-04 0.000485 0.002166 True native_MD 7 237 319 @@ -45196,46 +45196,46 @@ CG2_AB42_24 O2_AB42_42 1 0.000000e+00 1.214195e-06 ; 2.863205e-01 -1.214195 OG_AB42_26 H_AB42_39 1 9.673780e-06 1.629785e-10 ; 1.601114e-01 1.435497e-01 4.382793e-03 0.000000e+00 0.000485 0.005316 True native_MD 7 237 330 OG_AB42_26 CA_AB42_39 1 1.097622e-03 1.866708e-06 ; 3.454914e-01 1.613501e-01 7.466151e-03 4.574487e-04 0.000485 0.001339 True native_MD 7 237 331 OG_AB42_26 CB_AB42_39 1 3.107214e-04 3.268442e-07 ; 3.189052e-01 7.384845e-02 8.526392e-03 9.353661e-04 0.000485 0.000060 True native_MD 7 237 332 - OG_AB42_26 CG1_AB42_39 1 0.000000e+00 2.070439e-06 ; 2.993415e-01 -2.070439e-06 4.131993e-03 1.008513e-03 0.000485 0.000060 True native_MD 7 237 333 - OG_AB42_26 CG2_AB42_39 1 0.000000e+00 2.065066e-06 ; 2.992766e-01 -2.065066e-06 6.671651e-03 9.609606e-04 0.000485 0.000060 True native_MD 7 237 334 + OG_AB42_26 CG1_AB42_39 1 0.000000e+00 2.070416e-06 ; 2.993412e-01 -2.070416e-06 4.131993e-03 1.008513e-03 0.000485 0.000060 True native_MD 7 237 333 + OG_AB42_26 CG2_AB42_39 1 0.000000e+00 2.065042e-06 ; 2.992764e-01 -2.065042e-06 6.671651e-03 9.609606e-04 0.000485 0.000060 True native_MD 7 237 334 OG_AB42_26 C_AB42_39 1 1.278089e-03 3.268442e-06 ; 3.697969e-01 1.249457e-01 2.511663e-03 5.048005e-05 0.000485 0.002166 True native_MD 7 237 335 OG_AB42_26 O_AB42_39 1 5.211407e-04 5.635374e-07 ; 3.203770e-01 1.204834e-01 2.197687e-03 2.279641e-04 0.000485 0.002166 True native_MD 7 237 336 OG_AB42_26 H_AB42_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 237 338 OG_AB42_26 CA_AB42_40 1 1.248487e-03 3.082895e-06 ; 3.676454e-01 1.264006e-01 2.623435e-03 5.795124e-04 0.000485 0.001339 True native_MD 7 237 339 - OG_AB42_26 CB_AB42_40 1 0.000000e+00 5.710640e-06 ; 3.257507e-01 -5.710640e-06 5.408214e-03 1.032526e-03 0.000485 0.000060 True native_MD 7 237 340 - OG_AB42_26 CG1_AB42_40 1 0.000000e+00 2.071980e-06 ; 2.993600e-01 -2.071980e-06 3.765650e-03 1.384147e-03 0.000485 0.000060 True native_MD 7 237 341 - OG_AB42_26 CG2_AB42_40 1 0.000000e+00 2.069070e-06 ; 2.993250e-01 -2.069070e-06 4.604817e-03 8.222157e-04 0.000485 0.000060 True native_MD 7 237 342 + OG_AB42_26 CB_AB42_40 1 0.000000e+00 5.710621e-06 ; 3.257506e-01 -5.710621e-06 5.408214e-03 1.032526e-03 0.000485 0.000060 True native_MD 7 237 340 + OG_AB42_26 CG1_AB42_40 1 0.000000e+00 2.071957e-06 ; 2.993597e-01 -2.071957e-06 3.765650e-03 1.384147e-03 0.000485 0.000060 True native_MD 7 237 341 + OG_AB42_26 CG2_AB42_40 1 0.000000e+00 2.069047e-06 ; 2.993247e-01 -2.069047e-06 4.604817e-03 8.222157e-04 0.000485 0.000060 True native_MD 7 237 342 OG_AB42_26 C_AB42_40 1 5.863346e-04 8.472868e-07 ; 3.362385e-01 1.014380e-01 1.242908e-03 2.691758e-04 0.000485 0.002166 True native_MD 7 237 343 OG_AB42_26 O_AB42_40 1 8.699189e-05 1.790996e-08 ; 2.429980e-01 1.056338e-01 1.409194e-03 5.050544e-04 0.000485 0.002166 True native_MD 7 237 344 OG_AB42_26 N_AB42_41 1 1.179153e-04 4.156357e-08 ; 2.657809e-01 8.363099e-02 7.294702e-04 1.382311e-04 0.000485 0.002166 True native_MD 7 237 345 OG_AB42_26 H_AB42_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 237 346 OG_AB42_26 CA_AB42_41 1 5.665863e-04 6.734942e-07 ; 3.254702e-01 1.191622e-01 2.112488e-03 6.120629e-04 0.000485 0.001339 True native_MD 7 237 347 - OG_AB42_26 CB_AB42_41 1 0.000000e+00 5.723809e-06 ; 3.258133e-01 -5.723809e-06 3.068001e-03 9.883108e-04 0.000485 0.000060 True native_MD 7 237 348 - OG_AB42_26 CG1_AB42_41 1 0.000000e+00 2.779387e-06 ; 3.067779e-01 -2.779387e-06 2.210810e-03 7.309591e-04 0.000485 0.000060 True native_MD 7 237 349 - OG_AB42_26 CG2_AB42_41 1 0.000000e+00 2.072412e-06 ; 2.993652e-01 -2.072412e-06 3.101419e-03 9.279764e-04 0.000485 0.000060 True native_MD 7 237 350 - OG_AB42_26 CD_AB42_41 1 0.000000e+00 2.073881e-06 ; 2.993829e-01 -2.073881e-06 3.058660e-03 1.592634e-03 0.000485 0.000060 True native_MD 7 237 351 + OG_AB42_26 CB_AB42_41 1 0.000000e+00 5.723790e-06 ; 3.258132e-01 -5.723790e-06 3.068001e-03 9.883108e-04 0.000485 0.000060 True native_MD 7 237 348 + OG_AB42_26 CG1_AB42_41 1 0.000000e+00 2.779345e-06 ; 3.067775e-01 -2.779345e-06 2.210810e-03 7.309591e-04 0.000485 0.000060 True native_MD 7 237 349 + OG_AB42_26 CG2_AB42_41 1 0.000000e+00 2.072389e-06 ; 2.993649e-01 -2.072389e-06 3.101419e-03 9.279764e-04 0.000485 0.000060 True native_MD 7 237 350 + OG_AB42_26 CD_AB42_41 1 0.000000e+00 2.073858e-06 ; 2.993826e-01 -2.073858e-06 3.058660e-03 1.592634e-03 0.000485 0.000060 True native_MD 7 237 351 OG_AB42_26 C_AB42_41 1 5.686550e-04 7.786978e-07 ; 3.332371e-01 1.038171e-01 1.334625e-03 1.890919e-04 0.000485 0.002166 True native_MD 7 237 352 OG_AB42_26 O_AB42_41 1 5.995036e-05 1.066885e-08 ; 2.371670e-01 8.421818e-02 7.424019e-04 2.608475e-04 0.000485 0.002166 True native_MD 7 237 353 OG_AB42_26 N_AB42_42 1 1.531330e-04 5.705627e-08 ; 2.682496e-01 1.027482e-01 1.292611e-03 2.414735e-04 0.000485 0.002166 True native_MD 7 237 354 OG_AB42_26 H_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 237 355 OG_AB42_26 CA_AB42_42 1 9.976752e-04 1.733735e-06 ; 3.467360e-01 1.435277e-01 4.379904e-03 1.135153e-03 0.000485 0.001339 True native_MD 7 237 356 - OG_AB42_26 CB_AB42_42 1 0.000000e+00 2.068611e-06 ; 2.993194e-01 -2.068611e-06 5.005220e-03 1.001705e-03 0.000485 0.000060 True native_MD 7 237 357 + OG_AB42_26 CB_AB42_42 1 0.000000e+00 2.068588e-06 ; 2.993191e-01 -2.068588e-06 5.005220e-03 1.001705e-03 0.000485 0.000060 True native_MD 7 237 357 OG_AB42_26 C_AB42_42 1 2.857587e-04 1.905943e-07 ; 2.955868e-01 1.071097e-01 1.472831e-03 6.294719e-04 0.000485 0.002166 True native_MD 7 237 358 OG_AB42_26 O1_AB42_42 1 6.279470e-05 1.059100e-08 ; 2.350547e-01 9.307845e-02 9.678167e-04 5.406631e-04 0.000485 0.002166 True native_MD 7 237 359 OG_AB42_26 O2_AB42_42 1 6.279470e-05 1.059100e-08 ; 2.350547e-01 9.307845e-02 9.678167e-04 5.406631e-04 0.000485 0.002166 True native_MD 7 237 360 - C_AB42_26 CB_AB42_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 238 243 - C_AB42_26 CG_AB42_27 1 0.000000e+00 2.493202e-06 ; 3.040125e-01 -2.493202e-06 9.755839e-01 9.350353e-01 0.000485 0.000060 True native_MD 4 238 244 - C_AB42_26 OD1_AB42_27 1 0.000000e+00 6.087403e-07 ; 2.703114e-01 -6.087403e-07 6.958545e-01 4.319880e-01 0.000485 0.000060 True native_MD 5 238 245 - C_AB42_26 ND2_AB42_27 1 0.000000e+00 2.041141e-06 ; 2.989862e-01 -2.041141e-06 7.967201e-01 5.825716e-01 0.000485 0.000060 True native_MD 5 238 246 - C_AB42_26 O_AB42_27 1 0.000000e+00 7.829258e-07 ; 2.760398e-01 -7.829258e-07 8.995818e-01 8.463532e-01 0.000485 0.000060 True native_MD 4 238 248 - C_AB42_26 N_AB42_28 1 0.000000e+00 1.481224e-06 ; 2.911030e-01 -1.481224e-06 9.919777e-01 9.741249e-01 0.000485 0.000060 True native_MD 4 238 249 - C_AB42_26 CA_AB42_28 1 0.000000e+00 1.206745e-05 ; 3.467073e-01 -1.206745e-05 9.412580e-01 8.658344e-01 0.000485 0.000060 True native_MD 5 238 251 - C_AB42_26 CB_AB42_28 1 0.000000e+00 5.678929e-06 ; 3.255996e-01 -5.678929e-06 3.954008e-01 2.919849e-01 0.000485 0.000060 True native_MD 6 238 252 - C_AB42_26 CG_AB42_28 1 0.000000e+00 5.522737e-06 ; 3.248438e-01 -5.522737e-06 3.359797e-01 2.079044e-01 0.000485 0.000060 True native_MD 7 238 253 - C_AB42_26 CD_AB42_28 1 0.000000e+00 5.844830e-06 ; 3.263818e-01 -5.844830e-06 1.224524e-01 4.522881e-02 0.000485 0.000060 True native_MD 7 238 254 - C_AB42_26 CE_AB42_28 1 0.000000e+00 5.959106e-06 ; 3.269089e-01 -5.959106e-06 8.663752e-02 2.745576e-02 0.000485 0.000060 True native_MD 7 238 255 + C_AB42_26 CB_AB42_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 238 243 + C_AB42_26 CG_AB42_27 1 0.000000e+00 2.493157e-06 ; 3.040121e-01 -2.493157e-06 9.755839e-01 9.350353e-01 0.000485 0.000060 True native_MD 4 238 244 + C_AB42_26 OD1_AB42_27 1 0.000000e+00 6.087375e-07 ; 2.703113e-01 -6.087375e-07 6.958545e-01 4.319880e-01 0.000485 0.000060 True native_MD 5 238 245 + C_AB42_26 ND2_AB42_27 1 0.000000e+00 2.041127e-06 ; 2.989860e-01 -2.041127e-06 7.967201e-01 5.825716e-01 0.000485 0.000060 True native_MD 5 238 246 + C_AB42_26 O_AB42_27 1 0.000000e+00 7.829222e-07 ; 2.760397e-01 -7.829222e-07 8.995818e-01 8.463532e-01 0.000485 0.000060 True native_MD 4 238 248 + C_AB42_26 N_AB42_28 1 0.000000e+00 1.481203e-06 ; 2.911027e-01 -1.481203e-06 9.919777e-01 9.741249e-01 0.000485 0.000060 True native_MD 4 238 249 + C_AB42_26 CA_AB42_28 1 0.000000e+00 1.206738e-05 ; 3.467071e-01 -1.206738e-05 9.412580e-01 8.658344e-01 0.000485 0.000060 True native_MD 5 238 251 + C_AB42_26 CB_AB42_28 1 0.000000e+00 5.678833e-06 ; 3.255991e-01 -5.678833e-06 3.954008e-01 2.919849e-01 0.000485 0.000060 True native_MD 6 238 252 + C_AB42_26 CG_AB42_28 1 0.000000e+00 5.522644e-06 ; 3.248433e-01 -5.522644e-06 3.359797e-01 2.079044e-01 0.000485 0.000060 True native_MD 7 238 253 + C_AB42_26 CD_AB42_28 1 0.000000e+00 5.844732e-06 ; 3.263814e-01 -5.844732e-06 1.224524e-01 4.522881e-02 0.000485 0.000060 True native_MD 7 238 254 + C_AB42_26 CE_AB42_28 1 0.000000e+00 5.959006e-06 ; 3.269085e-01 -5.959006e-06 8.663752e-02 2.745576e-02 0.000485 0.000060 True native_MD 7 238 255 C_AB42_26 NZ_AB42_28 1 9.640820e-04 1.541914e-06 ; 3.419724e-01 1.506982e-01 3.586947e-02 1.431307e-02 0.000485 0.002166 True native_MD 7 238 256 - C_AB42_26 C_AB42_28 1 0.000000e+00 2.391625e-06 ; 3.029606e-01 -2.391625e-06 2.280312e-01 1.483930e-01 0.000485 0.000060 True native_MD 6 238 257 + C_AB42_26 C_AB42_28 1 0.000000e+00 2.391582e-06 ; 3.029601e-01 -2.391582e-06 2.280312e-01 1.483930e-01 0.000485 0.000060 True native_MD 6 238 257 C_AB42_26 O_AB42_28 1 9.729033e-04 1.877639e-06 ; 3.528502e-01 1.260280e-01 4.477002e-02 3.737916e-02 0.000485 0.002166 True native_MD 7 238 258 C_AB42_26 N_AB42_29 1 6.325562e-04 8.383760e-07 ; 3.314286e-01 1.193162e-01 2.146255e-01 2.190534e-01 0.000485 0.002166 True native_MD 7 238 259 C_AB42_26 CA_AB42_29 1 1.800937e-03 6.981319e-06 ; 3.963448e-01 1.161447e-01 1.996557e-01 1.638417e-01 0.000485 0.001584 True native_MD 7 238 261 @@ -45243,23 +45243,23 @@ CG2_AB42_24 O2_AB42_42 1 0.000000e+00 1.214195e-06 ; 2.863205e-01 -1.214195 C_AB42_26 O_AB42_29 1 8.053484e-04 1.387283e-06 ; 3.462291e-01 1.168806e-01 8.368743e-03 9.187309e-03 0.000485 0.002166 True native_MD 7 238 263 C_AB42_26 N_AB42_30 1 1.294256e-03 3.507985e-06 ; 3.733988e-01 1.193775e-01 4.412532e-02 4.495312e-02 0.000485 0.002166 True native_MD 7 238 264 C_AB42_26 CA_AB42_30 1 3.504623e-03 3.034375e-05 ; 4.531458e-01 1.011937e-01 6.555913e-02 7.113611e-02 0.000485 0.001339 True native_MD 7 238 266 - C_AB42_26 CB_AB42_30 1 0.000000e+00 4.689114e-06 ; 3.204443e-01 -4.689114e-06 8.485603e-02 7.702686e-02 0.000485 0.000060 True native_MD 7 238 267 + C_AB42_26 CB_AB42_30 1 0.000000e+00 4.689053e-06 ; 3.204440e-01 -4.689053e-06 8.485603e-02 7.702686e-02 0.000485 0.000060 True native_MD 7 238 267 C_AB42_26 C_AB42_30 1 2.412263e-03 1.092200e-05 ; 4.067362e-01 1.331949e-01 3.214939e-03 1.184842e-03 0.000485 0.002166 True native_MD 7 238 268 C_AB42_26 O_AB42_30 1 7.088536e-04 9.390293e-07 ; 3.314010e-01 1.337747e-01 3.938136e-03 2.607667e-03 0.000485 0.002166 True native_MD 7 238 269 C_AB42_26 N_AB42_31 1 1.488526e-03 3.861779e-06 ; 3.706851e-01 1.434384e-01 4.368217e-03 6.780441e-04 0.000485 0.002166 True native_MD 7 238 270 C_AB42_26 CA_AB42_31 1 2.802153e-03 1.297238e-05 ; 4.082454e-01 1.513226e-01 1.014043e-02 2.454734e-03 0.000485 0.001339 True native_MD 7 238 272 - C_AB42_26 CB_AB42_31 1 0.000000e+00 1.290608e-05 ; 3.486539e-01 -1.290608e-05 1.699481e-02 5.825016e-03 0.000485 0.000060 True native_MD 7 238 273 - C_AB42_26 CG1_AB42_31 1 0.000000e+00 6.298949e-06 ; 3.284233e-01 -6.298949e-06 1.434364e-02 8.816045e-03 0.000485 0.000060 True native_MD 7 238 274 - C_AB42_26 CG2_AB42_31 1 0.000000e+00 4.685695e-06 ; 3.204248e-01 -4.685695e-06 1.505630e-02 6.503743e-03 0.000485 0.000060 True native_MD 7 238 275 - C_AB42_26 CD_AB42_31 1 0.000000e+00 4.698210e-06 ; 3.204961e-01 -4.698210e-06 1.741374e-02 1.150915e-02 0.000485 0.000060 True native_MD 7 238 276 + C_AB42_26 CB_AB42_31 1 0.000000e+00 1.290601e-05 ; 3.486537e-01 -1.290601e-05 1.699481e-02 5.825016e-03 0.000485 0.000060 True native_MD 7 238 273 + C_AB42_26 CG1_AB42_31 1 0.000000e+00 6.298844e-06 ; 3.284229e-01 -6.298844e-06 1.434364e-02 8.816045e-03 0.000485 0.000060 True native_MD 7 238 274 + C_AB42_26 CG2_AB42_31 1 0.000000e+00 4.685634e-06 ; 3.204245e-01 -4.685634e-06 1.505630e-02 6.503743e-03 0.000485 0.000060 True native_MD 7 238 275 + C_AB42_26 CD_AB42_31 1 0.000000e+00 4.698149e-06 ; 3.204957e-01 -4.698149e-06 1.741374e-02 1.150915e-02 0.000485 0.000060 True native_MD 7 238 276 C_AB42_26 C_AB42_31 1 2.549704e-03 1.495545e-05 ; 4.246700e-01 1.086726e-01 1.543352e-03 3.713471e-04 0.000485 0.002166 True native_MD 7 238 277 C_AB42_26 O_AB42_31 1 8.057747e-04 1.817428e-06 ; 3.621379e-01 8.931205e-02 8.646542e-04 1.997481e-03 0.000485 0.002166 True native_MD 7 238 278 C_AB42_26 N_AB42_32 1 1.133437e-03 3.613536e-06 ; 3.836388e-01 8.887959e-02 8.535362e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 238 279 C_AB42_26 CA_AB42_32 1 3.822007e-03 2.768510e-05 ; 4.398714e-01 1.319097e-01 3.851732e-03 1.666889e-03 0.000485 0.001339 True native_MD 7 238 281 - C_AB42_26 CB_AB42_32 1 0.000000e+00 1.287070e-05 ; 3.485742e-01 -1.287070e-05 1.590144e-02 2.020948e-03 0.000485 0.000060 True native_MD 7 238 282 - C_AB42_26 CG1_AB42_32 1 0.000000e+00 6.247810e-06 ; 3.282003e-01 -6.247810e-06 1.583081e-02 2.229421e-03 0.000485 0.000060 True native_MD 7 238 283 - C_AB42_26 CG2_AB42_32 1 0.000000e+00 4.680742e-06 ; 3.203966e-01 -4.680742e-06 1.174654e-02 2.145880e-03 0.000485 0.000060 True native_MD 7 238 284 - C_AB42_26 CD_AB42_32 1 0.000000e+00 4.660148e-06 ; 3.202789e-01 -4.660148e-06 1.754948e-02 3.591421e-03 0.000485 0.000060 True native_MD 7 238 285 + C_AB42_26 CB_AB42_32 1 0.000000e+00 1.287063e-05 ; 3.485740e-01 -1.287063e-05 1.590144e-02 2.020948e-03 0.000485 0.000060 True native_MD 7 238 282 + C_AB42_26 CG1_AB42_32 1 0.000000e+00 6.247705e-06 ; 3.281999e-01 -6.247705e-06 1.583081e-02 2.229421e-03 0.000485 0.000060 True native_MD 7 238 283 + C_AB42_26 CG2_AB42_32 1 0.000000e+00 4.680681e-06 ; 3.203962e-01 -4.680681e-06 1.174654e-02 2.145880e-03 0.000485 0.000060 True native_MD 7 238 284 + C_AB42_26 CD_AB42_32 1 0.000000e+00 4.660087e-06 ; 3.202785e-01 -4.660087e-06 1.754948e-02 3.591421e-03 0.000485 0.000060 True native_MD 7 238 285 C_AB42_26 C_AB42_32 1 1.881136e-03 8.936591e-06 ; 4.100076e-01 9.899395e-02 1.155247e-03 3.102896e-04 0.000485 0.002166 True native_MD 7 238 286 C_AB42_26 O_AB42_32 1 4.101772e-04 4.678386e-07 ; 3.232368e-01 8.990566e-02 8.801514e-04 4.211603e-04 0.000485 0.002166 True native_MD 7 238 287 C_AB42_26 N_AB42_33 1 1.117324e-03 3.520383e-06 ; 3.828851e-01 8.865603e-02 8.478448e-04 2.750232e-04 0.000485 0.002166 True native_MD 7 238 288 @@ -45268,15 +45268,15 @@ CG2_AB42_24 O2_AB42_42 1 0.000000e+00 1.214195e-06 ; 2.863205e-01 -1.214195 C_AB42_26 O_AB42_33 1 4.625556e-04 7.406950e-07 ; 3.420419e-01 7.221517e-02 5.183701e-04 2.254306e-04 0.000485 0.002166 True native_MD 7 238 292 C_AB42_26 N_AB42_34 1 6.525130e-04 1.352139e-06 ; 3.570580e-01 7.872215e-02 6.298092e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 238 293 C_AB42_26 CA_AB42_34 1 3.550564e-03 2.803837e-05 ; 4.462476e-01 1.124041e-01 1.725685e-03 4.218413e-05 0.000485 0.001339 True native_MD 7 238 295 - C_AB42_26 CB_AB42_34 1 0.000000e+00 6.329750e-06 ; 3.285569e-01 -6.329750e-06 9.056678e-04 2.407677e-04 0.000485 0.000060 True native_MD 7 238 296 - C_AB42_26 CG_AB42_34 1 0.000000e+00 1.300692e-05 ; 3.488801e-01 -1.300692e-05 5.277662e-03 1.834235e-03 0.000485 0.000060 True native_MD 7 238 297 - C_AB42_26 CD1_AB42_34 1 0.000000e+00 4.708625e-06 ; 3.205552e-01 -4.708625e-06 6.050679e-03 2.349888e-03 0.000485 0.000060 True native_MD 7 238 298 - C_AB42_26 CD2_AB42_34 1 0.000000e+00 4.713270e-06 ; 3.205816e-01 -4.713270e-06 4.734869e-03 2.016937e-03 0.000485 0.000060 True native_MD 7 238 299 + C_AB42_26 CB_AB42_34 1 0.000000e+00 6.329643e-06 ; 3.285564e-01 -6.329643e-06 9.056678e-04 2.407677e-04 0.000485 0.000060 True native_MD 7 238 296 + C_AB42_26 CG_AB42_34 1 0.000000e+00 1.300685e-05 ; 3.488800e-01 -1.300685e-05 5.277662e-03 1.834235e-03 0.000485 0.000060 True native_MD 7 238 297 + C_AB42_26 CD1_AB42_34 1 0.000000e+00 4.708564e-06 ; 3.205549e-01 -4.708564e-06 6.050679e-03 2.349888e-03 0.000485 0.000060 True native_MD 7 238 298 + C_AB42_26 CD2_AB42_34 1 0.000000e+00 4.713209e-06 ; 3.205812e-01 -4.713209e-06 4.734869e-03 2.016937e-03 0.000485 0.000060 True native_MD 7 238 299 C_AB42_26 CA_AB42_35 1 3.114537e-03 2.626031e-05 ; 4.511467e-01 9.234790e-02 9.468874e-04 2.793701e-04 0.000485 0.001339 True native_MD 7 238 304 - C_AB42_26 CB_AB42_35 1 0.000000e+00 6.328165e-06 ; 3.285500e-01 -6.328165e-06 1.447140e-03 5.321181e-04 0.000485 0.000060 True native_MD 7 238 305 - C_AB42_26 CG_AB42_35 1 0.000000e+00 6.327978e-06 ; 3.285492e-01 -6.327978e-06 1.713491e-03 7.688493e-04 0.000485 0.000060 True native_MD 7 238 306 + C_AB42_26 CB_AB42_35 1 0.000000e+00 6.328059e-06 ; 3.285496e-01 -6.328059e-06 1.447140e-03 5.321181e-04 0.000485 0.000060 True native_MD 7 238 305 + C_AB42_26 CG_AB42_35 1 0.000000e+00 6.327871e-06 ; 3.285487e-01 -6.327871e-06 1.713491e-03 7.688493e-04 0.000485 0.000060 True native_MD 7 238 306 C_AB42_26 SD_AB42_35 1 1.645706e-03 5.318469e-06 ; 3.845083e-01 1.273086e-01 2.695694e-03 1.168511e-03 0.000485 0.002166 True native_MD 7 238 307 - C_AB42_26 CE_AB42_35 1 0.000000e+00 4.716587e-06 ; 3.206003e-01 -4.716587e-06 3.837569e-03 1.821458e-03 0.000485 0.000060 True native_MD 7 238 308 + C_AB42_26 CE_AB42_35 1 0.000000e+00 4.716526e-06 ; 3.206000e-01 -4.716526e-06 3.837569e-03 1.821458e-03 0.000485 0.000060 True native_MD 7 238 308 C_AB42_26 CA_AB42_36 1 5.951441e-03 6.440167e-05 ; 4.703045e-01 1.374951e-01 3.656460e-03 1.749457e-04 0.000485 0.001339 True native_MD 7 238 313 C_AB42_26 CB_AB42_36 1 4.210869e-03 2.831125e-05 ; 4.344414e-01 1.565757e-01 5.466137e-02 5.043336e-04 0.000485 0.000060 True native_MD 7 238 314 C_AB42_26 CG1_AB42_36 1 1.188390e-03 3.268644e-06 ; 3.743129e-01 1.080166e-01 1.313863e-02 5.184353e-04 0.000485 0.000060 True native_MD 7 238 315 @@ -45310,7 +45310,7 @@ CG2_AB42_24 O2_AB42_42 1 0.000000e+00 1.214195e-06 ; 2.863205e-01 -1.214195 C_AB42_26 CB_AB42_41 1 1.825485e-03 8.055888e-06 ; 4.050008e-01 1.034149e-01 4.285124e-03 1.940503e-04 0.000485 0.000060 True native_MD 7 238 348 C_AB42_26 CG1_AB42_41 1 1.144763e-03 2.836525e-06 ; 3.678565e-01 1.155008e-01 3.507811e-03 1.106398e-04 0.000485 0.000060 True native_MD 7 238 349 C_AB42_26 CG2_AB42_41 1 8.328829e-04 1.927508e-06 ; 3.636934e-01 8.997290e-02 4.766384e-03 3.227315e-04 0.000485 0.000060 True native_MD 7 238 350 - C_AB42_26 CD_AB42_41 1 0.000000e+00 4.710266e-06 ; 3.205645e-01 -4.710266e-06 4.085436e-03 7.317280e-04 0.000485 0.000060 True native_MD 7 238 351 + C_AB42_26 CD_AB42_41 1 0.000000e+00 4.710204e-06 ; 3.205642e-01 -4.710204e-06 4.085436e-03 7.317280e-04 0.000485 0.000060 True native_MD 7 238 351 C_AB42_26 C_AB42_41 1 1.631976e-03 7.440612e-06 ; 4.072075e-01 8.948681e-02 8.691881e-04 2.780232e-05 0.000485 0.002166 True native_MD 7 238 352 C_AB42_26 O_AB42_41 1 3.921552e-04 4.850580e-07 ; 3.276342e-01 7.926151e-02 6.400573e-04 5.130430e-05 0.000485 0.002166 True native_MD 7 238 353 C_AB42_26 N_AB42_42 1 6.305810e-04 1.138691e-06 ; 3.489615e-01 8.730037e-02 8.141366e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 238 354 @@ -45321,15 +45321,15 @@ CG2_AB42_24 O2_AB42_42 1 0.000000e+00 1.214195e-06 ; 2.863205e-01 -1.214195 C_AB42_26 O2_AB42_42 1 4.670267e-04 6.161073e-07 ; 3.311711e-01 8.850484e-02 8.440175e-04 4.403099e-05 0.000485 0.002166 True native_MD 7 238 360 O_AB42_26 O_AB42_26 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 239 O_AB42_26 H_AB42_27 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 241 - O_AB42_26 CB_AB42_27 1 0.000000e+00 2.015635e-06 ; 2.986730e-01 -2.015635e-06 1.000000e+00 9.999895e-01 0.000485 0.000060 True native_MD 4 239 243 - O_AB42_26 CG_AB42_27 1 0.000000e+00 6.826417e-07 ; 2.729047e-01 -6.826417e-07 6.228964e-01 4.483968e-01 0.000485 0.000060 True native_MD 5 239 244 + O_AB42_26 CB_AB42_27 1 0.000000e+00 2.015628e-06 ; 2.986729e-01 -2.015628e-06 1.000000e+00 9.999895e-01 0.000485 0.000060 True native_MD 4 239 243 + O_AB42_26 CG_AB42_27 1 0.000000e+00 6.826385e-07 ; 2.729046e-01 -6.826385e-07 6.228964e-01 4.483968e-01 0.000485 0.000060 True native_MD 5 239 244 O_AB42_26 OD1_AB42_27 1 0.000000e+00 1.240532e-06 ; 2.868329e-01 -1.240532e-06 5.312206e-01 3.582418e-01 0.000485 0.000060 True native_MD 6 239 245 - O_AB42_26 ND2_AB42_27 1 0.000000e+00 7.438586e-07 ; 2.748648e-01 -7.438586e-07 3.250672e-01 2.250141e-01 0.000485 0.000060 True native_MD 6 239 246 - O_AB42_26 C_AB42_27 1 0.000000e+00 8.235177e-07 ; 2.772050e-01 -8.235177e-07 9.999846e-01 9.958426e-01 0.000485 0.000060 True native_MD 4 239 247 + O_AB42_26 ND2_AB42_27 1 0.000000e+00 7.438635e-07 ; 2.748650e-01 -7.438635e-07 3.250672e-01 2.250141e-01 0.000485 0.000060 True native_MD 6 239 246 + O_AB42_26 C_AB42_27 1 0.000000e+00 8.235139e-07 ; 2.772049e-01 -8.235139e-07 9.999846e-01 9.958426e-01 0.000485 0.000060 True native_MD 4 239 247 O_AB42_26 O_AB42_27 1 0.000000e+00 1.397471e-06 ; 2.896945e-01 -1.397471e-06 8.911038e-01 8.227511e-01 0.000485 0.000060 True native_MD 5 239 248 O_AB42_26 N_AB42_28 1 0.000000e+00 1.399094e-06 ; 2.897225e-01 -1.399094e-06 9.614494e-01 8.941787e-01 0.000485 0.000060 True native_MD 5 239 249 - O_AB42_26 H_AB42_28 1 0.000000e+00 1.465417e-08 ; 1.981490e-01 -1.465417e-08 2.535453e-01 1.979888e-01 0.000485 0.000060 True native_MD 6 239 250 - O_AB42_26 CA_AB42_28 1 0.000000e+00 3.525011e-06 ; 3.129140e-01 -3.525011e-06 7.128050e-01 5.614907e-01 0.000485 0.000060 True native_MD 6 239 251 + O_AB42_26 H_AB42_28 1 0.000000e+00 1.465441e-08 ; 1.981492e-01 -1.465441e-08 2.535453e-01 1.979888e-01 0.000485 0.000060 True native_MD 6 239 250 + O_AB42_26 CA_AB42_28 1 0.000000e+00 3.525039e-06 ; 3.129142e-01 -3.525039e-06 7.128050e-01 5.614907e-01 0.000485 0.000060 True native_MD 6 239 251 O_AB42_26 CB_AB42_28 1 1.173706e-03 3.039319e-06 ; 3.705693e-01 1.133138e-01 2.105557e-01 1.413618e-01 0.000485 0.001191 True native_MD 7 239 252 O_AB42_26 CG_AB42_28 1 5.769428e-04 7.087926e-07 ; 3.272636e-01 1.174049e-01 2.723669e-01 1.617887e-01 0.000485 0.001191 True native_MD 7 239 253 O_AB42_26 CD_AB42_28 1 6.242563e-04 7.659672e-07 ; 3.271959e-01 1.271908e-01 1.311065e-01 5.810780e-02 0.000485 0.001191 True native_MD 7 239 254 @@ -45433,31 +45433,31 @@ CG2_AB42_24 O2_AB42_42 1 0.000000e+00 1.214195e-06 ; 2.863205e-01 -1.214195 O_AB42_26 CB_AB42_42 1 5.024944e-04 4.459715e-07 ; 3.100007e-01 1.415453e-01 4.127623e-03 6.040152e-04 0.000485 0.001191 True native_MD 7 239 357 O_AB42_26 O1_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 359 O_AB42_26 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 360 - N_AB42_27 CB_AB42_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 243 + N_AB42_27 CB_AB42_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 243 N_AB42_27 OD1_AB42_27 1 0.000000e+00 1.416529e-06 ; 2.900217e-01 -1.416529e-06 9.942758e-01 9.386283e-01 0.000485 0.000060 True native_MD 4 240 245 - N_AB42_27 ND2_AB42_27 1 0.000000e+00 1.416595e-06 ; 2.900228e-01 -1.416595e-06 9.716386e-01 9.113695e-01 0.000485 0.000060 True native_MD 4 240 246 - N_AB42_27 CA_AB42_28 1 0.000000e+00 7.574841e-06 ; 3.335105e-01 -7.574841e-06 1.000000e+00 9.999797e-01 0.000485 0.000060 True native_MD 4 240 251 - N_AB42_27 CB_AB42_28 1 0.000000e+00 3.374804e-06 ; 3.117806e-01 -3.374804e-06 5.082491e-01 4.262928e-01 0.000485 0.000060 True native_MD 5 240 252 - N_AB42_27 CG_AB42_28 1 0.000000e+00 3.300138e-06 ; 3.111998e-01 -3.300138e-06 3.230521e-01 2.207846e-01 0.000485 0.000060 True native_MD 6 240 253 - N_AB42_27 CD_AB42_28 1 0.000000e+00 3.611936e-06 ; 3.135499e-01 -3.611936e-06 2.393340e-02 6.484049e-03 0.000485 0.000060 True native_MD 7 240 254 - N_AB42_27 CE_AB42_28 1 0.000000e+00 3.661152e-06 ; 3.139037e-01 -3.661152e-06 6.615964e-03 2.554697e-03 0.000485 0.000060 True native_MD 7 240 255 - N_AB42_27 NZ_AB42_28 1 0.000000e+00 8.751135e-07 ; 2.786124e-01 -8.751135e-07 2.373295e-03 2.167105e-03 0.000485 0.000060 True native_MD 7 240 256 - N_AB42_27 C_AB42_28 1 0.000000e+00 1.433467e-06 ; 2.903091e-01 -1.433467e-06 1.344953e-01 8.497663e-02 0.000485 0.000060 True native_MD 5 240 257 + N_AB42_27 ND2_AB42_27 1 0.000000e+00 1.416591e-06 ; 2.900227e-01 -1.416591e-06 9.716386e-01 9.113695e-01 0.000485 0.000060 True native_MD 4 240 246 + N_AB42_27 CA_AB42_28 1 0.000000e+00 7.574829e-06 ; 3.335104e-01 -7.574829e-06 1.000000e+00 9.999797e-01 0.000485 0.000060 True native_MD 4 240 251 + N_AB42_27 CB_AB42_28 1 0.000000e+00 3.374759e-06 ; 3.117802e-01 -3.374759e-06 5.082491e-01 4.262928e-01 0.000485 0.000060 True native_MD 5 240 252 + N_AB42_27 CG_AB42_28 1 0.000000e+00 3.300095e-06 ; 3.111995e-01 -3.300095e-06 3.230521e-01 2.207846e-01 0.000485 0.000060 True native_MD 6 240 253 + N_AB42_27 CD_AB42_28 1 0.000000e+00 3.611889e-06 ; 3.135496e-01 -3.611889e-06 2.393340e-02 6.484049e-03 0.000485 0.000060 True native_MD 7 240 254 + N_AB42_27 CE_AB42_28 1 0.000000e+00 3.661104e-06 ; 3.139034e-01 -3.661104e-06 6.615964e-03 2.554697e-03 0.000485 0.000060 True native_MD 7 240 255 + N_AB42_27 NZ_AB42_28 1 0.000000e+00 8.751043e-07 ; 2.786121e-01 -8.751043e-07 2.373295e-03 2.167105e-03 0.000485 0.000060 True native_MD 7 240 256 + N_AB42_27 C_AB42_28 1 0.000000e+00 1.433447e-06 ; 2.903088e-01 -1.433447e-06 1.344953e-01 8.497663e-02 0.000485 0.000060 True native_MD 5 240 257 N_AB42_27 O_AB42_28 1 0.000000e+00 1.486842e-06 ; 2.911949e-01 -1.486842e-06 7.146115e-02 6.268918e-02 0.000485 0.000060 True native_MD 6 240 258 - N_AB42_27 N_AB42_29 1 0.000000e+00 8.556143e-07 ; 2.780897e-01 -8.556143e-07 1.760307e-01 1.535472e-01 0.000485 0.000060 True native_MD 6 240 259 + N_AB42_27 N_AB42_29 1 0.000000e+00 8.556054e-07 ; 2.780894e-01 -8.556054e-07 1.760307e-01 1.535472e-01 0.000485 0.000060 True native_MD 6 240 259 N_AB42_27 CA_AB42_29 1 3.470536e-03 2.476546e-05 ; 4.387747e-01 1.215869e-01 3.619863e-02 2.524121e-02 0.000485 0.001584 True native_MD 7 240 261 N_AB42_27 O_AB42_29 1 1.187265e-03 3.291610e-06 ; 3.748091e-01 1.070599e-01 2.834808e-03 4.175371e-03 0.000485 0.002166 True native_MD 7 240 263 - N_AB42_27 N_AB42_30 1 0.000000e+00 8.745070e-07 ; 2.785963e-01 -8.745070e-07 3.577882e-03 2.678713e-03 0.000485 0.000060 True native_MD 7 240 264 + N_AB42_27 N_AB42_30 1 0.000000e+00 8.744978e-07 ; 2.785960e-01 -8.744978e-07 3.577882e-03 2.678713e-03 0.000485 0.000060 True native_MD 7 240 264 N_AB42_27 CA_AB42_30 1 3.981762e-03 3.400707e-05 ; 4.521151e-01 1.165525e-01 2.618089e-02 1.794047e-02 0.000485 0.001339 True native_MD 7 240 266 - N_AB42_27 CB_AB42_30 1 0.000000e+00 2.670953e-06 ; 3.057622e-01 -2.670953e-06 7.079739e-02 4.455786e-02 0.000485 0.000060 True native_MD 7 240 267 + N_AB42_27 CB_AB42_30 1 0.000000e+00 2.670928e-06 ; 3.057620e-01 -2.670928e-06 7.079739e-02 4.455786e-02 0.000485 0.000060 True native_MD 7 240 267 N_AB42_27 C_AB42_30 1 8.783819e-04 1.555341e-06 ; 3.478220e-01 1.240169e-01 2.442814e-03 1.949787e-04 0.000485 0.002166 True native_MD 7 240 268 N_AB42_27 O_AB42_30 1 1.942871e-04 6.661954e-08 ; 2.645613e-01 1.416531e-01 7.529030e-03 3.938343e-03 0.000485 0.002166 True native_MD 7 240 269 N_AB42_27 N_AB42_31 1 8.846732e-04 2.526251e-06 ; 3.766595e-01 7.745140e-02 6.063083e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 240 270 N_AB42_27 CA_AB42_31 1 3.640681e-03 2.024334e-05 ; 4.209042e-01 1.636903e-01 8.007779e-03 5.502300e-04 0.000485 0.001339 True native_MD 7 240 272 - N_AB42_27 CB_AB42_31 1 0.000000e+00 7.516106e-06 ; 3.332942e-01 -7.516106e-06 9.324167e-03 1.550015e-03 0.000485 0.000060 True native_MD 7 240 273 - N_AB42_27 CG1_AB42_31 1 0.000000e+00 3.666332e-06 ; 3.139407e-01 -3.666332e-06 6.226432e-03 3.574200e-03 0.000485 0.000060 True native_MD 7 240 274 - N_AB42_27 CG2_AB42_31 1 0.000000e+00 2.727321e-06 ; 3.062949e-01 -2.727321e-06 8.491401e-03 2.802349e-03 0.000485 0.000060 True native_MD 7 240 275 - N_AB42_27 CD_AB42_31 1 0.000000e+00 2.738269e-06 ; 3.063971e-01 -2.738269e-06 8.538966e-03 6.841198e-03 0.000485 0.000060 True native_MD 7 240 276 + N_AB42_27 CB_AB42_31 1 0.000000e+00 7.516094e-06 ; 3.332941e-01 -7.516094e-06 9.324167e-03 1.550015e-03 0.000485 0.000060 True native_MD 7 240 273 + N_AB42_27 CG1_AB42_31 1 0.000000e+00 3.666284e-06 ; 3.139404e-01 -3.666284e-06 6.226432e-03 3.574200e-03 0.000485 0.000060 True native_MD 7 240 274 + N_AB42_27 CG2_AB42_31 1 0.000000e+00 2.727296e-06 ; 3.062946e-01 -2.727296e-06 8.491401e-03 2.802349e-03 0.000485 0.000060 True native_MD 7 240 275 + N_AB42_27 CD_AB42_31 1 0.000000e+00 2.738243e-06 ; 3.063969e-01 -2.738243e-06 8.538966e-03 6.841198e-03 0.000485 0.000060 True native_MD 7 240 276 N_AB42_27 O_AB42_31 1 1.915571e-04 1.008427e-07 ; 2.841566e-01 9.096864e-02 9.085996e-04 1.347337e-03 0.000485 0.002166 True native_MD 7 240 278 N_AB42_27 N_AB42_32 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.645907e-04 3.136010e-06 0.000485 0.000060 True native_MD 7 240 279 N_AB42_27 CA_AB42_32 1 3.598968e-03 2.679014e-05 ; 4.418751e-01 1.208707e-01 2.223308e-03 1.844079e-04 0.000485 0.001339 True native_MD 7 240 281 @@ -45473,14 +45473,14 @@ CG2_AB42_24 O2_AB42_42 1 0.000000e+00 1.214195e-06 ; 2.863205e-01 -1.214195 N_AB42_27 N_AB42_34 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.584825e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 240 293 N_AB42_27 CA_AB42_34 1 2.556983e-03 1.633948e-05 ; 4.307763e-01 1.000362e-01 1.191848e-03 0.000000e+00 0.000485 0.001339 True native_MD 7 240 295 N_AB42_27 CB_AB42_34 1 1.133968e-03 4.036348e-06 ; 3.907491e-01 7.964403e-02 6.474263e-04 3.043397e-07 0.000485 0.000060 True native_MD 7 240 296 - N_AB42_27 CG_AB42_34 1 0.000000e+00 7.558928e-06 ; 3.334520e-01 -7.558928e-06 2.742229e-03 6.212451e-04 0.000485 0.000060 True native_MD 7 240 297 - N_AB42_27 CD1_AB42_34 1 0.000000e+00 2.734000e-06 ; 3.063573e-01 -2.734000e-06 4.478981e-03 1.224896e-03 0.000485 0.000060 True native_MD 7 240 298 - N_AB42_27 CD2_AB42_34 1 0.000000e+00 2.736360e-06 ; 3.063793e-01 -2.736360e-06 3.057866e-03 6.641574e-04 0.000485 0.000060 True native_MD 7 240 299 + N_AB42_27 CG_AB42_34 1 0.000000e+00 7.558917e-06 ; 3.334520e-01 -7.558917e-06 2.742229e-03 6.212451e-04 0.000485 0.000060 True native_MD 7 240 297 + N_AB42_27 CD1_AB42_34 1 0.000000e+00 2.733975e-06 ; 3.063570e-01 -2.733975e-06 4.478981e-03 1.224896e-03 0.000485 0.000060 True native_MD 7 240 298 + N_AB42_27 CD2_AB42_34 1 0.000000e+00 2.736335e-06 ; 3.063791e-01 -2.736335e-06 3.057866e-03 6.641574e-04 0.000485 0.000060 True native_MD 7 240 299 N_AB42_27 N_AB42_35 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 240 302 N_AB42_27 CB_AB42_35 1 1.262397e-03 5.097363e-06 ; 3.990478e-01 7.816037e-02 6.193096e-04 4.574108e-07 0.000485 0.000060 True native_MD 7 240 305 - N_AB42_27 CG_AB42_35 1 0.000000e+00 3.673564e-06 ; 3.139923e-01 -3.673564e-06 9.708537e-04 2.860653e-04 0.000485 0.000060 True native_MD 7 240 306 + N_AB42_27 CG_AB42_35 1 0.000000e+00 3.673516e-06 ; 3.139919e-01 -3.673516e-06 9.708537e-04 2.860653e-04 0.000485 0.000060 True native_MD 7 240 306 N_AB42_27 SD_AB42_35 1 7.143016e-04 1.144677e-06 ; 3.420846e-01 1.114347e-01 1.676343e-03 6.212300e-04 0.000485 0.002166 True native_MD 7 240 307 - N_AB42_27 CE_AB42_35 1 0.000000e+00 2.737646e-06 ; 3.063913e-01 -2.737646e-06 2.671714e-03 7.467553e-04 0.000485 0.000060 True native_MD 7 240 308 + N_AB42_27 CE_AB42_35 1 0.000000e+00 2.737620e-06 ; 3.063911e-01 -2.737620e-06 2.671714e-03 7.467553e-04 0.000485 0.000060 True native_MD 7 240 308 N_AB42_27 N_AB42_36 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 240 311 N_AB42_27 CA_AB42_36 1 4.758324e-03 4.293406e-05 ; 4.562729e-01 1.318396e-01 3.087162e-03 8.913382e-05 0.000485 0.001339 True native_MD 7 240 313 N_AB42_27 CB_AB42_36 1 4.147954e-03 2.237211e-05 ; 4.187732e-01 1.922652e-01 4.731435e-02 1.500327e-04 0.000485 0.000060 True native_MD 7 240 314 @@ -45525,8 +45525,8 @@ CG2_AB42_24 O2_AB42_42 1 0.000000e+00 1.214195e-06 ; 2.863205e-01 -1.214195 N_AB42_27 O1_AB42_42 1 9.557080e-05 2.329905e-08 ; 2.499399e-01 9.800589e-02 1.121588e-03 1.029107e-04 0.000485 0.002166 True native_MD 7 240 359 N_AB42_27 O2_AB42_42 1 9.557080e-05 2.329905e-08 ; 2.499399e-01 9.800589e-02 1.121588e-03 1.029107e-04 0.000485 0.002166 True native_MD 7 240 360 H_AB42_27 H_AB42_27 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 241 - H_AB42_27 OD1_AB42_27 1 0.000000e+00 1.428795e-08 ; 1.977315e-01 -1.428795e-08 2.636964e-01 1.845371e-01 0.000485 0.000060 True native_MD 5 241 245 - H_AB42_27 O_AB42_27 1 0.000000e+00 1.630198e-08 ; 1.999164e-01 -1.630198e-08 2.249683e-01 2.756109e-01 0.000485 0.000060 True native_MD 4 241 248 + H_AB42_27 OD1_AB42_27 1 0.000000e+00 1.428817e-08 ; 1.977317e-01 -1.428817e-08 2.636964e-01 1.845371e-01 0.000485 0.000060 True native_MD 5 241 245 + H_AB42_27 O_AB42_27 1 0.000000e+00 1.630224e-08 ; 1.999166e-01 -1.630224e-08 2.249683e-01 2.756109e-01 0.000485 0.000060 True native_MD 4 241 248 H_AB42_27 H_AB42_28 1 0.000000e+00 1.169627e-08 ; 1.944609e-01 -1.169627e-08 5.601853e-01 5.348748e-01 0.000485 0.000060 True native_MD 5 241 250 H_AB42_27 O_AB42_28 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 258 H_AB42_27 H_AB42_29 1 0.000000e+00 1.213962e-08 ; 1.950647e-01 -1.213962e-08 3.789154e-03 1.542382e-02 0.000485 0.000060 True native_MD 7 241 260 @@ -45558,15 +45558,15 @@ CG2_AB42_24 O2_AB42_42 1 0.000000e+00 1.214195e-06 ; 2.863205e-01 -1.214195 H_AB42_27 H_AB42_42 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 355 H_AB42_27 O1_AB42_42 1 3.915375e-06 4.690798e-11 ; 1.512675e-01 8.170338e-02 6.885811e-04 0.000000e+00 0.000485 0.005316 True native_MD 7 241 359 H_AB42_27 O2_AB42_42 1 3.915375e-06 4.690798e-11 ; 1.512675e-01 8.170338e-02 6.885811e-04 0.000000e+00 0.000485 0.005316 True native_MD 7 241 360 - CA_AB42_27 CB_AB42_28 1 0.000000e+00 3.181365e-05 ; 3.758773e-01 -3.181365e-05 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 242 252 - CA_AB42_27 CG_AB42_28 1 0.000000e+00 3.324364e-05 ; 3.772571e-01 -3.324364e-05 8.046585e-01 8.496075e-01 0.000485 0.000060 True native_MD 5 242 253 - CA_AB42_27 CD_AB42_28 1 0.000000e+00 3.109466e-05 ; 3.751620e-01 -3.109466e-05 3.020519e-01 2.794519e-01 0.000485 0.000060 True native_MD 6 242 254 + CA_AB42_27 CB_AB42_28 1 0.000000e+00 3.181352e-05 ; 3.758772e-01 -3.181352e-05 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 242 252 + CA_AB42_27 CG_AB42_28 1 0.000000e+00 3.324350e-05 ; 3.772569e-01 -3.324350e-05 8.046585e-01 8.496075e-01 0.000485 0.000060 True native_MD 5 242 253 + CA_AB42_27 CD_AB42_28 1 0.000000e+00 3.109453e-05 ; 3.751619e-01 -3.109453e-05 3.020519e-01 2.794519e-01 0.000485 0.000060 True native_MD 6 242 254 CA_AB42_27 CE_AB42_28 1 5.711133e-03 8.163355e-05 ; 4.926340e-01 9.988857e-02 8.970214e-02 7.717833e-02 0.000485 0.001021 True native_MD 7 242 255 CA_AB42_27 NZ_AB42_28 1 2.570994e-03 1.557771e-05 ; 4.269730e-01 1.060812e-01 2.652766e-02 2.486794e-02 0.000485 0.001339 True native_MD 7 242 256 - CA_AB42_27 C_AB42_28 1 0.000000e+00 1.305183e-05 ; 3.489803e-01 -1.305183e-05 1.000000e+00 9.999971e-01 0.000485 0.000060 True native_MD 4 242 257 - CA_AB42_27 O_AB42_28 1 0.000000e+00 3.002149e-06 ; 3.087553e-01 -3.002149e-06 5.162781e-01 2.390788e-01 0.000485 0.000060 True native_MD 5 242 258 - CA_AB42_27 N_AB42_29 1 0.000000e+00 8.815943e-06 ; 3.377542e-01 -8.815943e-06 6.417045e-01 8.055262e-01 0.000485 0.000060 True native_MD 5 242 259 - CA_AB42_27 CA_AB42_29 1 0.000000e+00 3.816275e-05 ; 3.816204e-01 -3.816275e-05 4.655157e-01 6.650870e-01 0.000485 0.000060 True native_MD 6 242 261 + CA_AB42_27 C_AB42_28 1 0.000000e+00 1.305176e-05 ; 3.489802e-01 -1.305176e-05 1.000000e+00 9.999971e-01 0.000485 0.000060 True native_MD 4 242 257 + CA_AB42_27 O_AB42_28 1 0.000000e+00 3.002173e-06 ; 3.087555e-01 -3.002173e-06 5.162781e-01 2.390788e-01 0.000485 0.000060 True native_MD 5 242 258 + CA_AB42_27 N_AB42_29 1 0.000000e+00 8.815930e-06 ; 3.377541e-01 -8.815930e-06 6.417045e-01 8.055262e-01 0.000485 0.000060 True native_MD 5 242 259 + CA_AB42_27 CA_AB42_29 1 0.000000e+00 3.816258e-05 ; 3.816203e-01 -3.816258e-05 4.655157e-01 6.650870e-01 0.000485 0.000060 True native_MD 6 242 261 CA_AB42_27 C_AB42_29 1 5.001279e-03 6.052446e-05 ; 4.791538e-01 1.033169e-01 9.479288e-02 9.652467e-02 0.000485 0.001339 True native_MD 7 242 262 CA_AB42_27 O_AB42_29 1 1.826979e-03 7.768458e-06 ; 4.025009e-01 1.074168e-01 3.685253e-02 3.319357e-02 0.000485 0.001339 True native_MD 7 242 263 CA_AB42_27 N_AB42_30 1 2.256227e-03 1.206610e-05 ; 4.181807e-01 1.054724e-01 2.217571e-01 2.117051e-01 0.000485 0.001339 True native_MD 7 242 264 @@ -45650,37 +45650,37 @@ CG2_AB42_24 O2_AB42_42 1 0.000000e+00 1.214195e-06 ; 2.863205e-01 -1.214195 CA_AB42_27 C_AB42_42 1 9.644971e-04 1.828916e-06 ; 3.518159e-01 1.271593e-01 2.683679e-03 5.198515e-04 0.000485 0.001339 True native_MD 7 242 358 CA_AB42_27 O1_AB42_42 1 3.041653e-04 2.098818e-07 ; 2.972653e-01 1.102007e-01 1.615570e-03 2.759878e-04 0.000485 0.001339 True native_MD 7 242 359 CA_AB42_27 O2_AB42_42 1 3.041653e-04 2.098818e-07 ; 2.972653e-01 1.102007e-01 1.615570e-03 2.759878e-04 0.000485 0.001339 True native_MD 7 242 360 - CB_AB42_27 CG_AB42_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 243 244 + CB_AB42_27 CG_AB42_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 243 244 CB_AB42_27 OD1_AB42_27 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 243 245 - CB_AB42_27 ND2_AB42_27 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 243 246 - CB_AB42_27 C_AB42_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 243 247 + CB_AB42_27 ND2_AB42_27 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 243 246 + CB_AB42_27 C_AB42_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 243 247 CB_AB42_27 O_AB42_27 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 243 248 - CB_AB42_27 N_AB42_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 243 249 - CB_AB42_27 CA_AB42_28 1 0.000000e+00 3.181360e-05 ; 3.758773e-01 -3.181360e-05 1.000000e+00 9.999982e-01 0.000485 0.000060 True native_MD 4 243 251 - CB_AB42_27 CB_AB42_28 1 0.000000e+00 1.630743e-05 ; 3.555171e-01 -1.630743e-05 5.124728e-01 5.687287e-01 0.000485 0.000060 True native_MD 5 243 252 - CB_AB42_27 CG_AB42_28 1 0.000000e+00 1.651638e-05 ; 3.558945e-01 -1.651638e-05 2.460034e-01 3.157935e-01 0.000485 0.000060 True native_MD 6 243 253 + CB_AB42_27 N_AB42_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 243 249 + CB_AB42_27 CA_AB42_28 1 0.000000e+00 3.181346e-05 ; 3.758771e-01 -3.181346e-05 1.000000e+00 9.999982e-01 0.000485 0.000060 True native_MD 4 243 251 + CB_AB42_27 CB_AB42_28 1 0.000000e+00 1.630717e-05 ; 3.555166e-01 -1.630717e-05 5.124728e-01 5.687287e-01 0.000485 0.000060 True native_MD 5 243 252 + CB_AB42_27 CG_AB42_28 1 0.000000e+00 1.651612e-05 ; 3.558940e-01 -1.651612e-05 2.460034e-01 3.157935e-01 0.000485 0.000060 True native_MD 6 243 253 CB_AB42_27 CD_AB42_28 1 2.827326e-03 2.228429e-05 ; 4.461051e-01 8.967947e-02 4.347383e-02 5.918903e-02 0.000485 0.001190 True native_MD 7 243 254 CB_AB42_27 CE_AB42_28 1 2.915247e-03 2.611759e-05 ; 4.557321e-01 8.135001e-02 1.914371e-02 3.344219e-02 0.000485 0.001190 True native_MD 7 243 255 - CB_AB42_27 NZ_AB42_28 1 0.000000e+00 3.710990e-06 ; 3.142576e-01 -3.710990e-06 8.861744e-03 1.835777e-02 0.000485 0.000060 True native_MD 7 243 256 - CB_AB42_27 C_AB42_28 1 0.000000e+00 6.532478e-06 ; 3.294212e-01 -6.532478e-06 3.138802e-01 3.452219e-01 0.000485 0.000060 True native_MD 5 243 257 - CB_AB42_27 O_AB42_28 1 0.000000e+00 1.903862e-06 ; 2.972565e-01 -1.903862e-06 1.057272e-01 5.026450e-02 0.000485 0.000060 True native_MD 6 243 258 - CB_AB42_27 N_AB42_29 1 0.000000e+00 4.232549e-06 ; 3.177204e-01 -4.232549e-06 1.248049e-01 2.761799e-01 0.000485 0.000060 True native_MD 6 243 259 + CB_AB42_27 NZ_AB42_28 1 0.000000e+00 3.710941e-06 ; 3.142573e-01 -3.710941e-06 8.861744e-03 1.835777e-02 0.000485 0.000060 True native_MD 7 243 256 + CB_AB42_27 C_AB42_28 1 0.000000e+00 6.532368e-06 ; 3.294207e-01 -6.532368e-06 3.138802e-01 3.452219e-01 0.000485 0.000060 True native_MD 5 243 257 + CB_AB42_27 O_AB42_28 1 0.000000e+00 1.903855e-06 ; 2.972564e-01 -1.903855e-06 1.057272e-01 5.026450e-02 0.000485 0.000060 True native_MD 6 243 258 + CB_AB42_27 N_AB42_29 1 0.000000e+00 4.232493e-06 ; 3.177201e-01 -4.232493e-06 1.248049e-01 2.761799e-01 0.000485 0.000060 True native_MD 6 243 259 CB_AB42_27 CA_AB42_29 1 2.884844e-03 2.971874e-05 ; 4.664639e-01 7.000905e-02 8.907010e-02 2.184717e-01 0.000485 0.001190 True native_MD 7 243 261 - CB_AB42_27 C_AB42_29 1 0.000000e+00 6.467597e-06 ; 3.291473e-01 -6.467597e-06 3.157858e-02 5.267694e-02 0.000485 0.000060 True native_MD 7 243 262 + CB_AB42_27 C_AB42_29 1 0.000000e+00 6.467489e-06 ; 3.291468e-01 -6.467489e-06 3.157858e-02 5.267694e-02 0.000485 0.000060 True native_MD 7 243 262 CB_AB42_27 O_AB42_29 1 5.436480e-04 7.409977e-07 ; 3.329787e-01 9.971460e-02 2.194943e-02 2.213769e-02 0.000485 0.001191 True native_MD 7 243 263 - CB_AB42_27 N_AB42_30 1 0.000000e+00 3.686989e-06 ; 3.140877e-01 -3.686989e-06 7.335142e-02 7.631841e-02 0.000485 0.000060 True native_MD 7 243 264 + CB_AB42_27 N_AB42_30 1 0.000000e+00 3.686940e-06 ; 3.140874e-01 -3.686940e-06 7.335142e-02 7.631841e-02 0.000485 0.000060 True native_MD 7 243 264 CB_AB42_27 CA_AB42_30 1 3.227800e-03 2.483740e-05 ; 4.443242e-01 1.048690e-01 1.881209e-01 1.394443e-01 0.000485 0.001021 True native_MD 7 243 266 CB_AB42_27 CB_AB42_30 1 1.181872e-03 2.641452e-06 ; 3.615864e-01 1.322019e-01 2.115996e-01 1.581146e-01 0.000485 0.002332 True native_MD 7 243 267 - CB_AB42_27 C_AB42_30 1 0.000000e+00 6.220479e-06 ; 3.280804e-01 -6.220479e-06 3.350192e-02 1.558552e-02 0.000485 0.000060 True native_MD 7 243 268 + CB_AB42_27 C_AB42_30 1 0.000000e+00 6.220375e-06 ; 3.280800e-01 -6.220375e-06 3.350192e-02 1.558552e-02 0.000485 0.000060 True native_MD 7 243 268 CB_AB42_27 O_AB42_30 1 3.985549e-04 3.147590e-07 ; 3.040290e-01 1.261648e-01 2.860486e-02 1.307328e-02 0.000485 0.001191 True native_MD 7 243 269 - CB_AB42_27 N_AB42_31 1 0.000000e+00 3.623271e-06 ; 3.136318e-01 -3.623271e-06 2.106059e-02 6.694594e-03 0.000485 0.000060 True native_MD 7 243 270 + CB_AB42_27 N_AB42_31 1 0.000000e+00 3.623223e-06 ; 3.136314e-01 -3.623223e-06 2.106059e-02 6.694594e-03 0.000485 0.000060 True native_MD 7 243 270 CB_AB42_27 CA_AB42_31 1 2.313554e-03 1.065810e-05 ; 4.079122e-01 1.255507e-01 5.318409e-02 2.123010e-02 0.000485 0.001021 True native_MD 7 243 272 CB_AB42_27 CB_AB42_31 1 2.164975e-03 1.021948e-05 ; 4.095711e-01 1.146614e-01 6.222407e-02 3.440756e-02 0.000485 0.001021 True native_MD 7 243 273 CB_AB42_27 CG1_AB42_31 1 1.245052e-03 3.599054e-06 ; 3.774275e-01 1.076779e-01 5.069993e-02 4.028111e-02 0.000485 0.001190 True native_MD 7 243 274 CB_AB42_27 CG2_AB42_31 1 1.217073e-03 2.586122e-06 ; 3.585547e-01 1.431939e-01 4.290981e-02 2.307570e-02 0.000485 0.002332 True native_MD 7 243 275 CB_AB42_27 CD_AB42_31 1 1.043542e-03 2.151318e-06 ; 3.567515e-01 1.265480e-01 4.474607e-02 3.959997e-02 0.000485 0.002332 True native_MD 7 243 276 - CB_AB42_27 C_AB42_31 1 0.000000e+00 6.281148e-06 ; 3.283459e-01 -6.281148e-06 1.290069e-02 4.562672e-03 0.000485 0.000060 True native_MD 7 243 277 - CB_AB42_27 O_AB42_31 1 0.000000e+00 2.025839e-06 ; 2.987987e-01 -2.025839e-06 3.199646e-03 8.251594e-03 0.000485 0.001191 True native_MD 7 243 278 + CB_AB42_27 C_AB42_31 1 0.000000e+00 6.281043e-06 ; 3.283454e-01 -6.281043e-06 1.290069e-02 4.562672e-03 0.000485 0.000060 True native_MD 7 243 277 + CB_AB42_27 O_AB42_31 1 0.000000e+00 2.025832e-06 ; 2.987986e-01 -2.025832e-06 3.199646e-03 8.251594e-03 0.000485 0.001191 True native_MD 7 243 278 CB_AB42_27 N_AB42_32 1 1.177062e-03 4.219862e-06 ; 3.912159e-01 8.208056e-02 1.432084e-02 1.227990e-03 0.000485 0.000060 True native_MD 7 243 279 CB_AB42_27 CA_AB42_32 1 4.694264e-03 3.598883e-05 ; 4.440515e-01 1.530760e-01 5.102718e-02 8.937877e-03 0.000485 0.001021 True native_MD 7 243 281 CB_AB42_27 CB_AB42_32 1 2.805498e-03 1.155970e-05 ; 4.003957e-01 1.702211e-01 9.119232e-02 9.562300e-03 0.000485 0.001021 True native_MD 7 243 282 @@ -45691,7 +45691,7 @@ CG2_AB42_24 O2_AB42_42 1 0.000000e+00 1.214195e-06 ; 2.863205e-01 -1.214195 CB_AB42_27 O_AB42_32 1 6.482949e-04 6.787397e-07 ; 3.186558e-01 1.548039e-01 1.089275e-02 2.112853e-03 0.000485 0.001191 True native_MD 7 243 287 CB_AB42_27 N_AB42_33 1 8.036473e-04 2.182440e-06 ; 3.735191e-01 7.398245e-02 1.427377e-02 1.559601e-03 0.000485 0.000060 True native_MD 7 243 288 CB_AB42_27 CA_AB42_33 1 1.790002e-03 5.471401e-06 ; 3.809554e-01 1.464026e-01 2.559930e-02 6.383080e-03 0.000485 0.001190 True native_MD 7 243 290 - CB_AB42_27 C_AB42_33 1 0.000000e+00 6.289145e-06 ; 3.283807e-01 -6.289145e-06 8.596458e-03 1.520931e-03 0.000485 0.000060 True native_MD 7 243 291 + CB_AB42_27 C_AB42_33 1 0.000000e+00 6.289039e-06 ; 3.283802e-01 -6.289039e-06 8.596458e-03 1.520931e-03 0.000485 0.000060 True native_MD 7 243 291 CB_AB42_27 O_AB42_33 1 5.087897e-04 4.563763e-07 ; 3.105495e-01 1.418056e-01 4.720530e-03 1.351004e-03 0.000485 0.001191 True native_MD 7 243 292 CB_AB42_27 N_AB42_34 1 7.485811e-04 1.752753e-06 ; 3.644016e-01 7.992764e-02 4.527878e-03 4.140968e-04 0.000485 0.000060 True native_MD 7 243 293 CB_AB42_27 CA_AB42_34 1 2.342716e-03 8.421918e-06 ; 3.913950e-01 1.629176e-01 1.259280e-02 1.643036e-03 0.000485 0.001021 True native_MD 7 243 295 @@ -45699,28 +45699,28 @@ CG2_AB42_24 O2_AB42_42 1 0.000000e+00 1.214195e-06 ; 2.863205e-01 -1.214195 CB_AB42_27 CG_AB42_34 1 3.486878e-03 2.170378e-05 ; 4.288938e-01 1.400484e-01 2.457301e-02 6.356333e-03 0.000485 0.001021 True native_MD 7 243 297 CB_AB42_27 CD1_AB42_34 1 1.501496e-03 3.470974e-06 ; 3.636257e-01 1.623817e-01 2.101395e-02 6.363975e-03 0.000485 0.002332 True native_MD 7 243 298 CB_AB42_27 CD2_AB42_34 1 1.236558e-03 2.370432e-06 ; 3.524538e-01 1.612655e-01 1.862570e-02 5.832311e-03 0.000485 0.002332 True native_MD 7 243 299 - CB_AB42_27 C_AB42_34 1 0.000000e+00 6.318867e-06 ; 3.285098e-01 -6.318867e-06 2.824132e-03 4.410218e-04 0.000485 0.000060 True native_MD 7 243 300 + CB_AB42_27 C_AB42_34 1 0.000000e+00 6.318760e-06 ; 3.285093e-01 -6.318760e-06 2.824132e-03 4.410218e-04 0.000485 0.000060 True native_MD 7 243 300 CB_AB42_27 O_AB42_34 1 6.230497e-04 8.390090e-07 ; 3.323079e-01 1.156695e-01 1.902834e-03 4.924987e-04 0.000485 0.001191 True native_MD 7 243 301 - CB_AB42_27 N_AB42_35 1 0.000000e+00 3.673229e-06 ; 3.139899e-01 -3.673229e-06 1.029543e-03 2.534543e-04 0.000485 0.000060 True native_MD 7 243 302 + CB_AB42_27 N_AB42_35 1 0.000000e+00 3.673180e-06 ; 3.139895e-01 -3.673180e-06 1.029543e-03 2.534543e-04 0.000485 0.000060 True native_MD 7 243 302 CB_AB42_27 CA_AB42_35 1 3.021781e-03 1.887690e-05 ; 4.291521e-01 1.209303e-01 2.945111e-03 1.349962e-03 0.000485 0.001021 True native_MD 7 243 304 CB_AB42_27 CB_AB42_35 1 2.688514e-03 1.351120e-05 ; 4.138697e-01 1.337429e-01 4.199582e-03 1.529473e-03 0.000485 0.001190 True native_MD 7 243 305 CB_AB42_27 CG_AB42_35 1 2.118726e-03 7.770464e-06 ; 3.927010e-01 1.444250e-01 7.296688e-03 1.930320e-03 0.000485 0.001190 True native_MD 7 243 306 - CB_AB42_27 SD_AB42_35 1 0.000000e+00 6.427749e-06 ; 3.289778e-01 -6.427749e-06 1.129746e-02 2.456088e-03 0.000485 0.000060 True native_MD 7 243 307 + CB_AB42_27 SD_AB42_35 1 0.000000e+00 6.427738e-06 ; 3.289777e-01 -6.427738e-06 1.129746e-02 2.456088e-03 0.000485 0.000060 True native_MD 7 243 307 CB_AB42_27 CE_AB42_35 1 1.469003e-03 3.248103e-06 ; 3.609396e-01 1.660946e-01 1.525373e-02 4.133728e-03 0.000485 0.002332 True native_MD 7 243 308 - CB_AB42_27 C_AB42_35 1 0.000000e+00 6.332701e-06 ; 3.285696e-01 -6.332701e-06 5.993669e-04 4.004779e-04 0.000485 0.000060 True native_MD 7 243 309 + CB_AB42_27 C_AB42_35 1 0.000000e+00 6.332595e-06 ; 3.285692e-01 -6.332595e-06 5.993669e-04 4.004779e-04 0.000485 0.000060 True native_MD 7 243 309 CB_AB42_27 O_AB42_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 3.676579e-04 5.362098e-04 0.000485 0.001191 True native_MD 7 243 310 - CB_AB42_27 N_AB42_36 1 0.000000e+00 3.674340e-06 ; 3.139978e-01 -3.674340e-06 6.230149e-04 1.492925e-04 0.000485 0.000060 True native_MD 7 243 311 + CB_AB42_27 N_AB42_36 1 0.000000e+00 3.674292e-06 ; 3.139975e-01 -3.674292e-06 6.230149e-04 1.492925e-04 0.000485 0.000060 True native_MD 7 243 311 CB_AB42_27 CA_AB42_36 1 7.508735e-03 9.544715e-05 ; 4.830952e-01 1.476762e-01 5.775551e-03 1.189066e-03 0.000485 0.001021 True native_MD 7 243 313 CB_AB42_27 CB_AB42_36 1 2.737956e-03 1.222912e-05 ; 4.058151e-01 1.532489e-01 1.546297e-02 2.694503e-03 0.000485 0.001021 True native_MD 7 243 314 CB_AB42_27 CG1_AB42_36 1 1.481039e-03 3.121671e-06 ; 3.580718e-01 1.756652e-01 1.260577e-02 2.565363e-03 0.000485 0.002332 True native_MD 7 243 315 CB_AB42_27 CG2_AB42_36 1 1.695729e-03 4.024145e-06 ; 3.652186e-01 1.786402e-01 1.398143e-02 2.602951e-03 0.000485 0.002332 True native_MD 7 243 316 - CB_AB42_27 C_AB42_36 1 0.000000e+00 6.327919e-06 ; 3.285489e-01 -6.327919e-06 1.366628e-03 4.127396e-04 0.000485 0.000060 True native_MD 7 243 317 + CB_AB42_27 C_AB42_36 1 0.000000e+00 6.327813e-06 ; 3.285485e-01 -6.327813e-06 1.366628e-03 4.127396e-04 0.000485 0.000060 True native_MD 7 243 317 CB_AB42_27 O_AB42_36 1 6.899715e-04 1.125040e-06 ; 3.430753e-01 1.057875e-01 1.415692e-03 4.515620e-04 0.000485 0.001191 True native_MD 7 243 318 - CB_AB42_27 N_AB42_37 1 0.000000e+00 3.672808e-06 ; 3.139869e-01 -3.672808e-06 1.441145e-03 5.507021e-04 0.000485 0.000060 True native_MD 7 243 319 + CB_AB42_27 N_AB42_37 1 0.000000e+00 3.672760e-06 ; 3.139866e-01 -3.672760e-06 1.441145e-03 5.507021e-04 0.000485 0.000060 True native_MD 7 243 319 CB_AB42_27 CA_AB42_37 1 1.437292e-03 3.639483e-06 ; 3.691893e-01 1.419026e-01 7.325780e-03 2.089976e-03 0.000485 0.001190 True native_MD 7 243 321 - CB_AB42_27 C_AB42_37 1 0.000000e+00 6.316259e-06 ; 3.284985e-01 -6.316259e-06 3.964543e-03 1.169747e-03 0.000485 0.000060 True native_MD 7 243 322 + CB_AB42_27 C_AB42_37 1 0.000000e+00 6.316153e-06 ; 3.284980e-01 -6.316153e-06 3.964543e-03 1.169747e-03 0.000485 0.000060 True native_MD 7 243 322 CB_AB42_27 O_AB42_37 1 1.461126e-03 2.625405e-06 ; 3.486728e-01 2.032915e-01 2.646523e-02 1.202901e-03 0.000485 0.001191 True native_MD 7 243 323 - CB_AB42_27 N_AB42_38 1 0.000000e+00 3.669060e-06 ; 3.139602e-01 -3.669060e-06 2.268967e-03 3.589403e-04 0.000485 0.000060 True native_MD 7 243 324 + CB_AB42_27 N_AB42_38 1 0.000000e+00 3.669012e-06 ; 3.139598e-01 -3.669012e-06 2.268967e-03 3.589403e-04 0.000485 0.000060 True native_MD 7 243 324 CB_AB42_27 CA_AB42_38 1 4.969036e-03 2.847980e-05 ; 4.230361e-01 2.167441e-01 6.794980e-02 2.064355e-03 0.000485 0.001190 True native_MD 7 243 326 CB_AB42_27 C_AB42_38 1 3.342646e-03 2.174074e-05 ; 4.320467e-01 1.284832e-01 3.806030e-02 8.139899e-04 0.000485 0.000060 True native_MD 7 243 327 CB_AB42_27 O_AB42_38 1 6.102802e-04 6.341744e-07 ; 3.182584e-01 1.468216e-01 4.833642e-03 8.199215e-04 0.000485 0.001191 True native_MD 7 243 328 @@ -45749,18 +45749,18 @@ CG2_AB42_24 O2_AB42_42 1 0.000000e+00 1.214195e-06 ; 2.863205e-01 -1.214195 CB_AB42_27 N_AB42_42 1 1.725371e-03 6.523324e-06 ; 3.946975e-01 1.140870e-01 6.603452e-03 2.172805e-04 0.000485 0.000060 True native_MD 7 243 354 CB_AB42_27 CA_AB42_42 1 3.749422e-03 2.159876e-05 ; 4.233934e-01 1.627197e-01 1.392664e-02 1.827866e-03 0.000485 0.001021 True native_MD 7 243 356 CB_AB42_27 CB_AB42_42 1 1.898328e-03 5.034835e-06 ; 3.720509e-01 1.789358e-01 1.263723e-02 1.341444e-03 0.000485 0.002332 True native_MD 7 243 357 - CB_AB42_27 C_AB42_42 1 0.000000e+00 6.327073e-06 ; 3.285453e-01 -6.327073e-06 2.272717e-03 1.185296e-03 0.000485 0.000060 True native_MD 7 243 358 - CB_AB42_27 O1_AB42_42 1 0.000000e+00 1.630273e-06 ; 2.934382e-01 -1.630273e-06 1.509864e-03 6.647649e-04 0.000485 0.000060 True native_MD 7 243 359 - CB_AB42_27 O2_AB42_42 1 0.000000e+00 1.630273e-06 ; 2.934382e-01 -1.630273e-06 1.509864e-03 6.647649e-04 0.000485 0.000060 True native_MD 7 243 360 - CG_AB42_27 O_AB42_27 1 0.000000e+00 7.386743e-07 ; 2.747047e-01 -7.386743e-07 7.813649e-01 6.746241e-01 0.000485 0.000060 True native_MD 4 244 248 - CG_AB42_27 N_AB42_28 1 0.000000e+00 1.755161e-06 ; 2.952488e-01 -1.755161e-06 4.756475e-01 6.394325e-01 0.000485 0.000060 True native_MD 4 244 249 - CG_AB42_27 CA_AB42_28 1 0.000000e+00 1.570617e-05 ; 3.544058e-01 -1.570617e-05 1.245574e-01 3.279235e-01 0.000485 0.000060 True native_MD 5 244 251 - CG_AB42_27 CB_AB42_28 1 0.000000e+00 6.523973e-06 ; 3.293854e-01 -6.523973e-06 1.463210e-02 4.463107e-02 0.000485 0.000060 True native_MD 6 244 252 - CG_AB42_27 CG_AB42_28 1 0.000000e+00 6.504534e-06 ; 3.293035e-01 -6.504534e-06 1.776587e-02 4.469574e-02 0.000485 0.000060 True native_MD 7 244 253 - CG_AB42_27 CD_AB42_28 1 0.000000e+00 6.363159e-06 ; 3.287010e-01 -6.363159e-06 6.053242e-03 1.066296e-02 0.000485 0.000060 True native_MD 7 244 254 - CG_AB42_27 CE_AB42_28 1 0.000000e+00 6.358292e-06 ; 3.286801e-01 -6.358292e-06 4.848845e-03 8.690177e-03 0.000485 0.000060 True native_MD 7 244 255 + CB_AB42_27 C_AB42_42 1 0.000000e+00 6.326967e-06 ; 3.285448e-01 -6.326967e-06 2.272717e-03 1.185296e-03 0.000485 0.000060 True native_MD 7 243 358 + CB_AB42_27 O1_AB42_42 1 0.000000e+00 1.630268e-06 ; 2.934381e-01 -1.630268e-06 1.509864e-03 6.647649e-04 0.000485 0.000060 True native_MD 7 243 359 + CB_AB42_27 O2_AB42_42 1 0.000000e+00 1.630268e-06 ; 2.934381e-01 -1.630268e-06 1.509864e-03 6.647649e-04 0.000485 0.000060 True native_MD 7 243 360 + CG_AB42_27 O_AB42_27 1 0.000000e+00 7.386709e-07 ; 2.747046e-01 -7.386709e-07 7.813649e-01 6.746241e-01 0.000485 0.000060 True native_MD 4 244 248 + CG_AB42_27 N_AB42_28 1 0.000000e+00 1.755136e-06 ; 2.952484e-01 -1.755136e-06 4.756475e-01 6.394325e-01 0.000485 0.000060 True native_MD 4 244 249 + CG_AB42_27 CA_AB42_28 1 0.000000e+00 1.570609e-05 ; 3.544057e-01 -1.570609e-05 1.245574e-01 3.279235e-01 0.000485 0.000060 True native_MD 5 244 251 + CG_AB42_27 CB_AB42_28 1 0.000000e+00 6.523864e-06 ; 3.293849e-01 -6.523864e-06 1.463210e-02 4.463107e-02 0.000485 0.000060 True native_MD 6 244 252 + CG_AB42_27 CG_AB42_28 1 0.000000e+00 6.504425e-06 ; 3.293030e-01 -6.504425e-06 1.776587e-02 4.469574e-02 0.000485 0.000060 True native_MD 7 244 253 + CG_AB42_27 CD_AB42_28 1 0.000000e+00 6.363052e-06 ; 3.287006e-01 -6.363052e-06 6.053242e-03 1.066296e-02 0.000485 0.000060 True native_MD 7 244 254 + CG_AB42_27 CE_AB42_28 1 0.000000e+00 6.358185e-06 ; 3.286796e-01 -6.358185e-06 4.848845e-03 8.690177e-03 0.000485 0.000060 True native_MD 7 244 255 CG_AB42_27 NZ_AB42_28 1 4.897347e-04 6.652234e-07 ; 3.327881e-01 9.013517e-02 2.198100e-03 5.372448e-03 0.000485 0.002166 True native_MD 7 244 256 - CG_AB42_27 C_AB42_28 1 0.000000e+00 2.704807e-06 ; 3.060833e-01 -2.704807e-06 3.449801e-02 7.538099e-02 0.000485 0.000060 True native_MD 6 244 257 + CG_AB42_27 C_AB42_28 1 0.000000e+00 2.704759e-06 ; 3.060829e-01 -2.704759e-06 3.449801e-02 7.538099e-02 0.000485 0.000060 True native_MD 6 244 257 CG_AB42_27 O_AB42_28 1 5.784011e-04 8.861097e-07 ; 3.395286e-01 9.438668e-02 8.769443e-03 1.887324e-02 0.000485 0.002166 True native_MD 7 244 258 CG_AB42_27 N_AB42_29 1 4.863038e-04 6.840226e-07 ; 3.347294e-01 8.643405e-02 3.452587e-02 9.426959e-02 0.000485 0.002166 True native_MD 7 244 259 CG_AB42_27 CA_AB42_29 1 1.109317e-03 3.937810e-06 ; 3.905709e-01 7.812613e-02 3.440732e-02 8.808633e-02 0.000485 0.001584 True native_MD 7 244 261 @@ -45768,23 +45768,23 @@ CG2_AB42_24 O2_AB42_42 1 0.000000e+00 1.214195e-06 ; 2.863205e-01 -1.214195 CG_AB42_27 O_AB42_29 1 5.464965e-04 7.182145e-07 ; 3.309617e-01 1.039586e-01 5.695900e-03 9.205202e-03 0.000485 0.002166 True native_MD 7 244 263 CG_AB42_27 N_AB42_30 1 8.046717e-04 1.425152e-06 ; 3.478354e-01 1.135838e-01 1.781832e-02 2.158926e-02 0.000485 0.002166 True native_MD 7 244 264 CG_AB42_27 CA_AB42_30 1 1.811690e-03 9.036238e-06 ; 4.133494e-01 9.080716e-02 3.506287e-02 5.191521e-02 0.000485 0.001339 True native_MD 7 244 266 - CG_AB42_27 CB_AB42_30 1 0.000000e+00 4.707846e-06 ; 3.205508e-01 -4.707846e-06 8.027633e-02 7.641061e-02 0.000485 0.000060 True native_MD 7 244 267 + CG_AB42_27 CB_AB42_30 1 0.000000e+00 4.707784e-06 ; 3.205504e-01 -4.707784e-06 8.027633e-02 7.641061e-02 0.000485 0.000060 True native_MD 7 244 267 CG_AB42_27 C_AB42_30 1 2.131320e-03 7.539624e-06 ; 3.903464e-01 1.506218e-01 1.206710e-02 4.826108e-03 0.000485 0.002166 True native_MD 7 244 268 CG_AB42_27 O_AB42_30 1 6.012096e-04 6.246752e-07 ; 3.182522e-01 1.446564e-01 1.593046e-02 7.616658e-03 0.000485 0.002166 True native_MD 7 244 269 CG_AB42_27 N_AB42_31 1 1.477412e-03 3.684346e-06 ; 3.682503e-01 1.481095e-01 5.023580e-03 1.805452e-03 0.000485 0.002166 True native_MD 7 244 270 CG_AB42_27 CA_AB42_31 1 1.769974e-03 5.715142e-06 ; 3.844531e-01 1.370398e-01 2.500899e-02 9.282665e-03 0.000485 0.001339 True native_MD 7 244 272 - CG_AB42_27 CB_AB42_31 1 0.000000e+00 1.286862e-05 ; 3.485695e-01 -1.286862e-05 3.328278e-02 1.924278e-02 0.000485 0.000060 True native_MD 7 244 273 - CG_AB42_27 CG1_AB42_31 1 0.000000e+00 6.317968e-06 ; 3.285059e-01 -6.317968e-06 2.683345e-02 2.430856e-02 0.000485 0.000060 True native_MD 7 244 274 - CG_AB42_27 CG2_AB42_31 1 0.000000e+00 4.670188e-06 ; 3.203363e-01 -4.670188e-06 2.676434e-02 1.493060e-02 0.000485 0.000060 True native_MD 7 244 275 - CG_AB42_27 CD_AB42_31 1 0.000000e+00 4.715751e-06 ; 3.205956e-01 -4.715751e-06 3.054307e-02 2.835007e-02 0.000485 0.000060 True native_MD 7 244 276 + CG_AB42_27 CB_AB42_31 1 0.000000e+00 1.286855e-05 ; 3.485693e-01 -1.286855e-05 3.328278e-02 1.924278e-02 0.000485 0.000060 True native_MD 7 244 273 + CG_AB42_27 CG1_AB42_31 1 0.000000e+00 6.317862e-06 ; 3.285054e-01 -6.317862e-06 2.683345e-02 2.430856e-02 0.000485 0.000060 True native_MD 7 244 274 + CG_AB42_27 CG2_AB42_31 1 0.000000e+00 4.670127e-06 ; 3.203360e-01 -4.670127e-06 2.676434e-02 1.493060e-02 0.000485 0.000060 True native_MD 7 244 275 + CG_AB42_27 CD_AB42_31 1 0.000000e+00 4.715690e-06 ; 3.205953e-01 -4.715690e-06 3.054307e-02 2.835007e-02 0.000485 0.000060 True native_MD 7 244 276 CG_AB42_27 C_AB42_31 1 2.874629e-03 1.284939e-05 ; 4.058667e-01 1.607760e-01 9.330634e-03 2.753815e-03 0.000485 0.002166 True native_MD 7 244 277 CG_AB42_27 O_AB42_31 1 3.979269e-04 4.638488e-07 ; 3.244110e-01 8.534343e-02 2.516127e-03 7.098051e-03 0.000485 0.002166 True native_MD 7 244 278 CG_AB42_27 N_AB42_32 1 1.243497e-03 2.283480e-06 ; 3.499388e-01 1.692904e-01 9.468794e-03 8.170244e-04 0.000485 0.002166 True native_MD 7 244 279 CG_AB42_27 CA_AB42_32 1 3.535460e-03 2.191964e-05 ; 4.286123e-01 1.425602e-01 2.592981e-02 8.158854e-03 0.000485 0.001339 True native_MD 7 244 281 - CG_AB42_27 CB_AB42_32 1 0.000000e+00 1.241665e-05 ; 3.475325e-01 -1.241665e-05 5.708825e-02 8.419881e-03 0.000485 0.000060 True native_MD 7 244 282 - CG_AB42_27 CG1_AB42_32 1 0.000000e+00 6.039748e-06 ; 3.272753e-01 -6.039748e-06 5.477994e-02 8.329927e-03 0.000485 0.000060 True native_MD 7 244 283 - CG_AB42_27 CG2_AB42_32 1 0.000000e+00 4.546103e-06 ; 3.196183e-01 -4.546103e-06 4.565279e-02 7.563896e-03 0.000485 0.000060 True native_MD 7 244 284 - CG_AB42_27 CD_AB42_32 1 0.000000e+00 4.496136e-06 ; 3.193240e-01 -4.496136e-06 5.994158e-02 1.128010e-02 0.000485 0.000060 True native_MD 7 244 285 + CG_AB42_27 CB_AB42_32 1 0.000000e+00 1.241659e-05 ; 3.475323e-01 -1.241659e-05 5.708825e-02 8.419881e-03 0.000485 0.000060 True native_MD 7 244 282 + CG_AB42_27 CG1_AB42_32 1 0.000000e+00 6.039647e-06 ; 3.272748e-01 -6.039647e-06 5.477994e-02 8.329927e-03 0.000485 0.000060 True native_MD 7 244 283 + CG_AB42_27 CG2_AB42_32 1 0.000000e+00 4.546044e-06 ; 3.196179e-01 -4.546044e-06 4.565279e-02 7.563896e-03 0.000485 0.000060 True native_MD 7 244 284 + CG_AB42_27 CD_AB42_32 1 0.000000e+00 4.496077e-06 ; 3.193237e-01 -4.496077e-06 5.994158e-02 1.128010e-02 0.000485 0.000060 True native_MD 7 244 285 CG_AB42_27 C_AB42_32 1 3.000775e-03 1.345730e-05 ; 4.060886e-01 1.672819e-01 8.916411e-03 1.913167e-03 0.000485 0.002166 True native_MD 7 244 286 CG_AB42_27 O_AB42_32 1 8.332869e-04 1.043881e-06 ; 3.283291e-01 1.662945e-01 9.014997e-03 2.255681e-03 0.000485 0.002166 True native_MD 7 244 287 CG_AB42_27 N_AB42_33 1 1.036913e-03 1.893299e-06 ; 3.496065e-01 1.419729e-01 5.046201e-03 2.614396e-03 0.000485 0.002166 True native_MD 7 244 288 @@ -45793,23 +45793,23 @@ CG2_AB42_24 O2_AB42_42 1 0.000000e+00 1.214195e-06 ; 2.863205e-01 -1.214195 CG_AB42_27 O_AB42_33 1 6.650005e-04 7.439881e-07 ; 3.221989e-01 1.485997e-01 5.097815e-03 1.606984e-03 0.000485 0.002166 True native_MD 7 244 292 CG_AB42_27 N_AB42_34 1 1.033915e-03 1.860997e-06 ; 3.487735e-01 1.436032e-01 4.389818e-03 5.365473e-04 0.000485 0.002166 True native_MD 7 244 293 CG_AB42_27 CA_AB42_34 1 2.046649e-03 6.511164e-06 ; 3.835034e-01 1.608304e-01 1.101137e-02 2.005486e-03 0.000485 0.001339 True native_MD 7 244 295 - CG_AB42_27 CB_AB42_34 1 0.000000e+00 6.284050e-06 ; 3.283585e-01 -6.284050e-06 9.818265e-03 1.938411e-03 0.000485 0.000060 True native_MD 7 244 296 - CG_AB42_27 CG_AB42_34 1 0.000000e+00 1.286227e-05 ; 3.485551e-01 -1.286227e-05 2.047635e-02 5.950400e-03 0.000485 0.000060 True native_MD 7 244 297 - CG_AB42_27 CD1_AB42_34 1 0.000000e+00 4.667584e-06 ; 3.203214e-01 -4.667584e-06 1.869134e-02 6.306659e-03 0.000485 0.000060 True native_MD 7 244 298 - CG_AB42_27 CD2_AB42_34 1 0.000000e+00 4.670925e-06 ; 3.203405e-01 -4.670925e-06 1.697204e-02 5.294286e-03 0.000485 0.000060 True native_MD 7 244 299 + CG_AB42_27 CB_AB42_34 1 0.000000e+00 6.283945e-06 ; 3.283581e-01 -6.283945e-06 9.818265e-03 1.938411e-03 0.000485 0.000060 True native_MD 7 244 296 + CG_AB42_27 CG_AB42_34 1 0.000000e+00 1.286221e-05 ; 3.485550e-01 -1.286221e-05 2.047635e-02 5.950400e-03 0.000485 0.000060 True native_MD 7 244 297 + CG_AB42_27 CD1_AB42_34 1 0.000000e+00 4.667523e-06 ; 3.203211e-01 -4.667523e-06 1.869134e-02 6.306659e-03 0.000485 0.000060 True native_MD 7 244 298 + CG_AB42_27 CD2_AB42_34 1 0.000000e+00 4.670864e-06 ; 3.203402e-01 -4.670864e-06 1.697204e-02 5.294286e-03 0.000485 0.000060 True native_MD 7 244 299 CG_AB42_27 C_AB42_34 1 1.422270e-03 4.849951e-06 ; 3.879650e-01 1.042717e-01 1.352909e-03 2.802610e-04 0.000485 0.002166 True native_MD 7 244 300 CG_AB42_27 O_AB42_34 1 3.529680e-04 3.192261e-07 ; 3.109762e-01 9.756911e-02 1.107023e-03 4.469907e-04 0.000485 0.002166 True native_MD 7 244 301 CG_AB42_27 CA_AB42_35 1 1.371242e-03 4.017461e-06 ; 3.782738e-01 1.170082e-01 1.980616e-03 1.067681e-03 0.000485 0.001339 True native_MD 7 244 304 - CG_AB42_27 CB_AB42_35 1 0.000000e+00 6.321622e-06 ; 3.285217e-01 -6.321622e-06 3.277321e-03 1.329252e-03 0.000485 0.000060 True native_MD 7 244 305 - CG_AB42_27 CG_AB42_35 1 0.000000e+00 6.316584e-06 ; 3.284999e-01 -6.316584e-06 4.847108e-03 2.103716e-03 0.000485 0.000060 True native_MD 7 244 306 + CG_AB42_27 CB_AB42_35 1 0.000000e+00 6.321516e-06 ; 3.285212e-01 -6.321516e-06 3.277321e-03 1.329252e-03 0.000485 0.000060 True native_MD 7 244 305 + CG_AB42_27 CG_AB42_35 1 0.000000e+00 6.316478e-06 ; 3.284994e-01 -6.316478e-06 4.847108e-03 2.103716e-03 0.000485 0.000060 True native_MD 7 244 306 CG_AB42_27 SD_AB42_35 1 1.182202e-03 2.126537e-06 ; 3.487361e-01 1.643049e-01 8.769977e-03 2.328997e-03 0.000485 0.002166 True native_MD 7 244 307 - CG_AB42_27 CE_AB42_35 1 0.000000e+00 4.684067e-06 ; 3.204156e-01 -4.684067e-06 1.280838e-02 3.911310e-03 0.000485 0.000060 True native_MD 7 244 308 + CG_AB42_27 CE_AB42_35 1 0.000000e+00 4.684006e-06 ; 3.204152e-01 -4.684006e-06 1.280838e-02 3.911310e-03 0.000485 0.000060 True native_MD 7 244 308 CG_AB42_27 C_AB42_35 1 6.925310e-04 1.353412e-06 ; 3.535888e-01 8.859073e-02 8.461897e-04 2.265127e-04 0.000485 0.002166 True native_MD 7 244 309 CG_AB42_27 N_AB42_36 1 4.197711e-04 5.438138e-07 ; 3.301715e-01 8.100558e-02 6.743510e-04 5.227357e-06 0.000485 0.002166 True native_MD 7 244 311 CG_AB42_27 CA_AB42_36 1 3.495700e-03 2.212131e-05 ; 4.300769e-01 1.381012e-01 3.723393e-03 7.341220e-04 0.000485 0.001339 True native_MD 7 244 313 - CG_AB42_27 CB_AB42_36 1 0.000000e+00 1.290071e-05 ; 3.486418e-01 -1.290071e-05 1.345763e-02 1.876738e-03 0.000485 0.000060 True native_MD 7 244 314 - CG_AB42_27 CG1_AB42_36 1 0.000000e+00 4.678289e-06 ; 3.203826e-01 -4.678289e-06 1.197178e-02 1.852028e-03 0.000485 0.000060 True native_MD 7 244 315 - CG_AB42_27 CG2_AB42_36 1 0.000000e+00 4.682273e-06 ; 3.204053e-01 -4.682273e-06 1.147884e-02 2.202259e-03 0.000485 0.000060 True native_MD 7 244 316 + CG_AB42_27 CB_AB42_36 1 0.000000e+00 1.290065e-05 ; 3.486417e-01 -1.290065e-05 1.345763e-02 1.876738e-03 0.000485 0.000060 True native_MD 7 244 314 + CG_AB42_27 CG1_AB42_36 1 0.000000e+00 4.678227e-06 ; 3.203822e-01 -4.678227e-06 1.197178e-02 1.852028e-03 0.000485 0.000060 True native_MD 7 244 315 + CG_AB42_27 CG2_AB42_36 1 0.000000e+00 4.682212e-06 ; 3.204050e-01 -4.682212e-06 1.147884e-02 2.202259e-03 0.000485 0.000060 True native_MD 7 244 316 CG_AB42_27 C_AB42_36 1 1.759669e-03 6.851299e-06 ; 3.966343e-01 1.129872e-01 1.756063e-03 2.590796e-04 0.000485 0.002166 True native_MD 7 244 317 CG_AB42_27 O_AB42_36 1 5.264325e-04 6.319245e-07 ; 3.260021e-01 1.096378e-01 1.588580e-03 2.149504e-04 0.000485 0.002166 True native_MD 7 244 318 CG_AB42_27 N_AB42_37 1 6.900161e-04 1.151701e-06 ; 3.444134e-01 1.033520e-01 1.316178e-03 3.084989e-04 0.000485 0.002166 True native_MD 7 244 319 @@ -45844,16 +45844,16 @@ CG2_AB42_24 O2_AB42_42 1 0.000000e+00 1.214195e-06 ; 2.863205e-01 -1.214195 CG_AB42_27 O_AB42_41 1 5.764837e-04 5.496125e-07 ; 3.137220e-01 1.511672e-01 5.504943e-03 2.853793e-04 0.000485 0.002166 True native_MD 7 244 353 CG_AB42_27 N_AB42_42 1 7.073056e-04 9.510302e-07 ; 3.322242e-01 1.315104e-01 3.056889e-03 8.418396e-05 0.000485 0.002166 True native_MD 7 244 354 CG_AB42_27 CA_AB42_42 1 3.428563e-03 1.776179e-05 ; 4.159704e-01 1.654541e-01 9.110348e-03 1.444843e-03 0.000485 0.001339 True native_MD 7 244 356 - CG_AB42_27 CB_AB42_42 1 0.000000e+00 4.691981e-06 ; 3.204606e-01 -4.691981e-06 8.345029e-03 1.122428e-03 0.000485 0.000060 True native_MD 7 244 357 + CG_AB42_27 CB_AB42_42 1 0.000000e+00 4.691920e-06 ; 3.204603e-01 -4.691920e-06 8.345029e-03 1.122428e-03 0.000485 0.000060 True native_MD 7 244 357 CG_AB42_27 C_AB42_42 1 1.399642e-03 4.255030e-06 ; 3.806106e-01 1.150990e-01 1.870625e-03 5.636358e-04 0.000485 0.002166 True native_MD 7 244 358 CG_AB42_27 O1_AB42_42 1 5.086967e-04 6.507175e-07 ; 3.294748e-01 9.941810e-02 1.170004e-03 3.840622e-04 0.000485 0.002166 True native_MD 7 244 359 CG_AB42_27 O2_AB42_42 1 5.086967e-04 6.507175e-07 ; 3.294748e-01 9.941810e-02 1.170004e-03 3.840622e-04 0.000485 0.002166 True native_MD 7 244 360 OD1_AB42_27 OD1_AB42_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 245 245 -OD1_AB42_27 C_AB42_27 1 0.000000e+00 8.015672e-07 ; 2.765816e-01 -8.015672e-07 6.061185e-01 5.754324e-01 0.000485 0.000060 True native_MD 4 245 247 +OD1_AB42_27 C_AB42_27 1 0.000000e+00 8.015635e-07 ; 2.765815e-01 -8.015635e-07 6.061185e-01 5.754324e-01 0.000485 0.000060 True native_MD 4 245 247 OD1_AB42_27 O_AB42_27 1 0.000000e+00 1.653323e-06 ; 2.937817e-01 -1.653323e-06 2.602511e-01 3.624662e-01 0.000485 0.000060 True native_MD 5 245 248 OD1_AB42_27 N_AB42_28 1 0.000000e+00 1.720190e-06 ; 2.947540e-01 -1.720190e-06 1.298712e-01 2.766646e-01 0.000485 0.000060 True native_MD 5 245 249 -OD1_AB42_27 H_AB42_28 1 0.000000e+00 1.574444e-08 ; 1.993375e-01 -1.574444e-08 2.489246e-02 3.960212e-02 0.000485 0.000060 True native_MD 6 245 250 -OD1_AB42_27 CA_AB42_28 1 0.000000e+00 4.492320e-06 ; 3.193014e-01 -4.492320e-06 7.020467e-02 1.517806e-01 0.000485 0.000060 True native_MD 6 245 251 +OD1_AB42_27 H_AB42_28 1 0.000000e+00 1.574469e-08 ; 1.993377e-01 -1.574469e-08 2.489246e-02 3.960212e-02 0.000485 0.000060 True native_MD 6 245 250 +OD1_AB42_27 CA_AB42_28 1 0.000000e+00 4.492355e-06 ; 3.193017e-01 -4.492355e-06 7.020467e-02 1.517806e-01 0.000485 0.000060 True native_MD 6 245 251 OD1_AB42_27 CB_AB42_28 1 7.075829e-04 1.482352e-06 ; 3.577083e-01 8.443901e-02 1.627458e-02 2.592690e-02 0.000485 0.001191 True native_MD 7 245 252 OD1_AB42_27 CG_AB42_28 1 3.049576e-04 2.957018e-07 ; 3.146075e-01 7.862576e-02 1.589061e-02 3.012550e-02 0.000485 0.001191 True native_MD 7 245 253 OD1_AB42_27 CD_AB42_28 1 5.929498e-04 1.068197e-06 ; 3.488234e-01 8.228572e-02 7.796629e-03 1.324748e-02 0.000485 0.001191 True native_MD 7 245 254 @@ -45963,40 +45963,40 @@ OD1_AB42_27 CB_AB42_42 1 4.769656e-04 3.671368e-07 ; 3.027309e-01 1.549124 OD1_AB42_27 C_AB42_42 1 6.949226e-04 1.195107e-06 ; 3.461346e-01 1.010197e-01 1.227447e-03 4.383668e-04 0.000485 0.002166 True native_MD 7 245 358 OD1_AB42_27 O1_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 245 359 OD1_AB42_27 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 245 360 -ND2_AB42_27 C_AB42_27 1 0.000000e+00 2.540608e-06 ; 3.044901e-01 -2.540608e-06 9.451862e-01 9.233358e-01 0.000485 0.000060 True native_MD 4 246 247 -ND2_AB42_27 O_AB42_27 1 0.000000e+00 9.738927e-07 ; 2.811065e-01 -9.738927e-07 6.809624e-02 2.463467e-01 0.000485 0.000060 True native_MD 5 246 248 -ND2_AB42_27 N_AB42_28 1 0.000000e+00 1.753054e-06 ; 2.952192e-01 -1.753054e-06 7.461917e-02 2.375481e-01 0.000485 0.000060 True native_MD 5 246 249 -ND2_AB42_27 CA_AB42_28 1 0.000000e+00 1.473309e-05 ; 3.525219e-01 -1.473309e-05 4.804702e-02 1.773835e-01 0.000485 0.000060 True native_MD 6 246 251 -ND2_AB42_27 CB_AB42_28 1 0.000000e+00 6.505217e-06 ; 3.293064e-01 -6.505217e-06 6.975117e-03 3.449070e-02 0.000485 0.000060 True native_MD 7 246 252 -ND2_AB42_27 CG_AB42_28 1 0.000000e+00 6.490429e-06 ; 3.292439e-01 -6.490429e-06 9.088386e-03 3.426815e-02 0.000485 0.000060 True native_MD 7 246 253 -ND2_AB42_27 CD_AB42_28 1 0.000000e+00 6.383323e-06 ; 3.287877e-01 -6.383323e-06 4.305543e-03 1.256752e-02 0.000485 0.000060 True native_MD 7 246 254 -ND2_AB42_27 CE_AB42_28 1 0.000000e+00 6.380089e-06 ; 3.287738e-01 -6.380089e-06 3.861363e-03 1.161265e-02 0.000485 0.000060 True native_MD 7 246 255 +ND2_AB42_27 C_AB42_27 1 0.000000e+00 2.540592e-06 ; 3.044899e-01 -2.540592e-06 9.451862e-01 9.233358e-01 0.000485 0.000060 True native_MD 4 246 247 +ND2_AB42_27 O_AB42_27 1 0.000000e+00 9.738991e-07 ; 2.811067e-01 -9.738991e-07 6.809624e-02 2.463467e-01 0.000485 0.000060 True native_MD 5 246 248 +ND2_AB42_27 N_AB42_28 1 0.000000e+00 1.753049e-06 ; 2.952191e-01 -1.753049e-06 7.461917e-02 2.375481e-01 0.000485 0.000060 True native_MD 5 246 249 +ND2_AB42_27 CA_AB42_28 1 0.000000e+00 1.473318e-05 ; 3.525221e-01 -1.473318e-05 4.804702e-02 1.773835e-01 0.000485 0.000060 True native_MD 6 246 251 +ND2_AB42_27 CB_AB42_28 1 0.000000e+00 6.505181e-06 ; 3.293062e-01 -6.505181e-06 6.975117e-03 3.449070e-02 0.000485 0.000060 True native_MD 7 246 252 +ND2_AB42_27 CG_AB42_28 1 0.000000e+00 6.490393e-06 ; 3.292438e-01 -6.490393e-06 9.088386e-03 3.426815e-02 0.000485 0.000060 True native_MD 7 246 253 +ND2_AB42_27 CD_AB42_28 1 0.000000e+00 6.383287e-06 ; 3.287875e-01 -6.383287e-06 4.305543e-03 1.256752e-02 0.000485 0.000060 True native_MD 7 246 254 +ND2_AB42_27 CE_AB42_28 1 0.000000e+00 6.380054e-06 ; 3.287737e-01 -6.380054e-06 3.861363e-03 1.161265e-02 0.000485 0.000060 True native_MD 7 246 255 ND2_AB42_27 NZ_AB42_28 1 6.981983e-04 1.564519e-06 ; 3.617432e-01 7.789626e-02 1.720305e-03 6.064686e-03 0.000485 0.002166 True native_MD 7 246 256 -ND2_AB42_27 C_AB42_28 1 0.000000e+00 2.705658e-06 ; 3.060914e-01 -2.705658e-06 1.119925e-02 5.289411e-02 0.000485 0.002166 True native_MD 7 246 257 +ND2_AB42_27 C_AB42_28 1 0.000000e+00 2.705641e-06 ; 3.060912e-01 -2.705641e-06 1.119925e-02 5.289411e-02 0.000485 0.002166 True native_MD 7 246 257 ND2_AB42_27 O_AB42_28 1 1.297610e-04 4.591502e-08 ; 2.659511e-01 9.167978e-02 7.128234e-03 1.663605e-02 0.000485 0.002166 True native_MD 7 246 258 ND2_AB42_27 N_AB42_29 1 4.526433e-04 6.780579e-07 ; 3.382609e-01 7.554148e-02 1.802646e-02 6.818952e-02 0.000485 0.002166 True native_MD 7 246 259 -ND2_AB42_27 CA_AB42_29 1 0.000000e+00 6.654755e-06 ; 3.299307e-01 -6.654755e-06 2.234187e-02 7.347721e-02 0.000485 0.001584 True native_MD 7 246 261 +ND2_AB42_27 CA_AB42_29 1 0.000000e+00 6.654717e-06 ; 3.299305e-01 -6.654717e-06 2.234187e-02 7.347721e-02 0.000485 0.001584 True native_MD 7 246 261 ND2_AB42_27 C_AB42_29 1 5.202740e-04 7.698111e-07 ; 3.375660e-01 8.790632e-02 1.138967e-02 2.975845e-02 0.000485 0.002166 True native_MD 7 246 262 ND2_AB42_27 O_AB42_29 1 1.076228e-04 3.006405e-08 ; 2.556764e-01 9.631653e-02 5.820903e-03 1.182487e-02 0.000485 0.002166 True native_MD 7 246 263 ND2_AB42_27 N_AB42_30 1 4.499175e-04 4.950234e-07 ; 3.213035e-01 1.022304e-01 1.215550e-02 2.068774e-02 0.000485 0.002166 True native_MD 7 246 264 ND2_AB42_27 CA_AB42_30 1 1.133629e-03 3.814150e-06 ; 3.870982e-01 8.423341e-02 2.639772e-02 4.758409e-02 0.000485 0.001339 True native_MD 7 246 266 -ND2_AB42_27 CB_AB42_30 1 0.000000e+00 4.825228e-06 ; 3.212093e-01 -4.825228e-06 4.115399e-02 6.260009e-02 0.000485 0.000060 True native_MD 7 246 267 +ND2_AB42_27 CB_AB42_30 1 0.000000e+00 4.825219e-06 ; 3.212093e-01 -4.825219e-06 4.115399e-02 6.260009e-02 0.000485 0.000060 True native_MD 7 246 267 ND2_AB42_27 C_AB42_30 1 6.212746e-04 7.687450e-07 ; 3.276547e-01 1.255235e-01 8.952209e-03 7.588077e-03 0.000485 0.002166 True native_MD 7 246 268 ND2_AB42_27 O_AB42_30 1 1.584011e-04 4.961647e-08 ; 2.606021e-01 1.264242e-01 9.851477e-03 8.128446e-03 0.000485 0.002166 True native_MD 7 246 269 ND2_AB42_27 N_AB42_31 1 6.231480e-04 7.417143e-07 ; 3.255424e-01 1.308838e-01 5.499416e-03 3.970623e-03 0.000485 0.002166 True native_MD 7 246 270 ND2_AB42_27 CA_AB42_31 1 1.153606e-03 2.831006e-06 ; 3.672659e-01 1.175206e-01 2.094920e-02 1.394571e-02 0.000485 0.001339 True native_MD 7 246 272 -ND2_AB42_27 CB_AB42_31 1 0.000000e+00 1.303710e-05 ; 3.489475e-01 -1.303710e-05 2.272266e-02 2.205574e-02 0.000485 0.000060 True native_MD 7 246 273 -ND2_AB42_27 CG1_AB42_31 1 0.000000e+00 6.380104e-06 ; 3.287739e-01 -6.380104e-06 1.867556e-02 2.642922e-02 0.000485 0.000060 True native_MD 7 246 274 -ND2_AB42_27 CG2_AB42_31 1 0.000000e+00 4.713974e-06 ; 3.205855e-01 -4.713974e-06 1.835632e-02 1.625136e-02 0.000485 0.000060 True native_MD 7 246 275 -ND2_AB42_27 CD_AB42_31 1 0.000000e+00 4.758379e-06 ; 3.208361e-01 -4.758379e-06 2.111813e-02 2.841318e-02 0.000485 0.000060 True native_MD 7 246 276 +ND2_AB42_27 CB_AB42_31 1 0.000000e+00 1.303717e-05 ; 3.489477e-01 -1.303717e-05 2.272266e-02 2.205574e-02 0.000485 0.000060 True native_MD 7 246 273 +ND2_AB42_27 CG1_AB42_31 1 0.000000e+00 6.380069e-06 ; 3.287737e-01 -6.380069e-06 1.867556e-02 2.642922e-02 0.000485 0.000060 True native_MD 7 246 274 +ND2_AB42_27 CG2_AB42_31 1 0.000000e+00 4.713966e-06 ; 3.205855e-01 -4.713966e-06 1.835632e-02 1.625136e-02 0.000485 0.000060 True native_MD 7 246 275 +ND2_AB42_27 CD_AB42_31 1 0.000000e+00 4.758370e-06 ; 3.208361e-01 -4.758370e-06 2.111813e-02 2.841318e-02 0.000485 0.000060 True native_MD 7 246 276 ND2_AB42_27 C_AB42_31 1 7.303455e-04 1.152308e-06 ; 3.411982e-01 1.157253e-01 5.230647e-03 5.944304e-03 0.000485 0.002166 True native_MD 7 246 277 ND2_AB42_27 O_AB42_31 1 8.346667e-05 2.316542e-08 ; 2.554002e-01 7.518410e-02 2.446610e-03 9.354529e-03 0.000485 0.002166 True native_MD 7 246 278 ND2_AB42_27 N_AB42_32 1 6.123745e-04 5.844573e-07 ; 3.137781e-01 1.604063e-01 7.258226e-03 2.121200e-03 0.000485 0.002166 True native_MD 7 246 279 ND2_AB42_27 CA_AB42_32 1 1.449336e-03 4.266103e-06 ; 3.785678e-01 1.230969e-01 2.080711e-02 1.172226e-02 0.000485 0.001339 True native_MD 7 246 281 -ND2_AB42_27 CB_AB42_32 1 0.000000e+00 1.267821e-05 ; 3.481367e-01 -1.267821e-05 3.974523e-02 1.156900e-02 0.000485 0.000060 True native_MD 7 246 282 -ND2_AB42_27 CG1_AB42_32 1 0.000000e+00 6.151852e-06 ; 3.277773e-01 -6.151852e-06 3.848672e-02 1.018730e-02 0.000485 0.000060 True native_MD 7 246 283 -ND2_AB42_27 CG2_AB42_32 1 0.000000e+00 4.626681e-06 ; 3.200866e-01 -4.626681e-06 2.943046e-02 8.846454e-03 0.000485 0.000060 True native_MD 7 246 284 -ND2_AB42_27 CD_AB42_32 1 0.000000e+00 4.595626e-06 ; 3.199070e-01 -4.595626e-06 4.056074e-02 1.340274e-02 0.000485 0.000060 True native_MD 7 246 285 +ND2_AB42_27 CB_AB42_32 1 0.000000e+00 1.267829e-05 ; 3.481369e-01 -1.267829e-05 3.974523e-02 1.156900e-02 0.000485 0.000060 True native_MD 7 246 282 +ND2_AB42_27 CG1_AB42_32 1 0.000000e+00 6.151817e-06 ; 3.277771e-01 -6.151817e-06 3.848672e-02 1.018730e-02 0.000485 0.000060 True native_MD 7 246 283 +ND2_AB42_27 CG2_AB42_32 1 0.000000e+00 4.626672e-06 ; 3.200865e-01 -4.626672e-06 2.943046e-02 8.846454e-03 0.000485 0.000060 True native_MD 7 246 284 +ND2_AB42_27 CD_AB42_32 1 0.000000e+00 4.595617e-06 ; 3.199069e-01 -4.595617e-06 4.056074e-02 1.340274e-02 0.000485 0.000060 True native_MD 7 246 285 ND2_AB42_27 C_AB42_32 1 9.309662e-04 1.598453e-06 ; 3.460411e-01 1.355526e-01 7.822426e-03 4.911317e-03 0.000485 0.002166 True native_MD 7 246 286 ND2_AB42_27 O_AB42_32 1 1.709420e-04 4.966407e-08 ; 2.573548e-01 1.470940e-01 7.939308e-03 3.528992e-03 0.000485 0.002166 True native_MD 7 246 287 ND2_AB42_27 N_AB42_33 1 7.930947e-04 1.217911e-06 ; 3.396632e-01 1.291143e-01 5.833449e-03 4.440832e-03 0.000485 0.002166 True native_MD 7 246 288 @@ -46005,25 +46005,25 @@ ND2_AB42_27 C_AB42_33 1 6.710299e-04 7.510452e-07 ; 3.222211e-01 1.498848 ND2_AB42_27 O_AB42_33 1 1.815844e-04 5.398408e-08 ; 2.583437e-01 1.526972e-01 5.930987e-03 2.229317e-03 0.000485 0.002166 True native_MD 7 246 292 ND2_AB42_27 N_AB42_34 1 7.069347e-04 8.268489e-07 ; 3.245945e-01 1.511028e-01 5.494342e-03 1.207902e-03 0.000485 0.002166 True native_MD 7 246 293 ND2_AB42_27 CA_AB42_34 1 1.074727e-03 1.846742e-06 ; 3.460865e-01 1.563615e-01 1.382642e-02 2.878594e-03 0.000485 0.001339 True native_MD 7 246 295 -ND2_AB42_27 CB_AB42_34 1 0.000000e+00 6.272360e-06 ; 3.283076e-01 -6.272360e-06 1.198158e-02 2.716814e-03 0.000485 0.000060 True native_MD 7 246 296 -ND2_AB42_27 CG_AB42_34 1 0.000000e+00 1.288178e-05 ; 3.485992e-01 -1.288178e-05 2.020826e-02 7.636157e-03 0.000485 0.000060 True native_MD 7 246 297 -ND2_AB42_27 CD1_AB42_34 1 0.000000e+00 4.675398e-06 ; 3.203661e-01 -4.675398e-06 1.756226e-02 7.291183e-03 0.000485 0.000060 True native_MD 7 246 298 -ND2_AB42_27 CD2_AB42_34 1 0.000000e+00 4.675869e-06 ; 3.203688e-01 -4.675869e-06 1.536887e-02 5.197403e-03 0.000485 0.000060 True native_MD 7 246 299 +ND2_AB42_27 CB_AB42_34 1 0.000000e+00 6.272325e-06 ; 3.283074e-01 -6.272325e-06 1.198158e-02 2.716814e-03 0.000485 0.000060 True native_MD 7 246 296 +ND2_AB42_27 CG_AB42_34 1 0.000000e+00 1.288186e-05 ; 3.485993e-01 -1.288186e-05 2.020826e-02 7.636157e-03 0.000485 0.000060 True native_MD 7 246 297 +ND2_AB42_27 CD1_AB42_34 1 0.000000e+00 4.675390e-06 ; 3.203660e-01 -4.675390e-06 1.756226e-02 7.291183e-03 0.000485 0.000060 True native_MD 7 246 298 +ND2_AB42_27 CD2_AB42_34 1 0.000000e+00 4.675860e-06 ; 3.203687e-01 -4.675860e-06 1.536887e-02 5.197403e-03 0.000485 0.000060 True native_MD 7 246 299 ND2_AB42_27 C_AB42_34 1 8.183929e-04 1.392754e-06 ; 3.455297e-01 1.202235e-01 2.180662e-03 8.160344e-04 0.000485 0.002166 True native_MD 7 246 300 ND2_AB42_27 O_AB42_34 1 1.625168e-04 5.912609e-08 ; 2.671859e-01 1.116754e-01 1.688460e-03 9.466541e-04 0.000485 0.002166 True native_MD 7 246 301 ND2_AB42_27 N_AB42_35 1 6.272481e-04 1.147097e-06 ; 3.496982e-01 8.574696e-02 7.771558e-04 4.486052e-04 0.000485 0.002166 True native_MD 7 246 302 ND2_AB42_27 CA_AB42_35 1 1.462429e-03 4.567464e-06 ; 3.823256e-01 1.170616e-01 2.856154e-03 1.927616e-03 0.000485 0.001339 True native_MD 7 246 304 -ND2_AB42_27 CB_AB42_35 1 0.000000e+00 6.320985e-06 ; 3.285189e-01 -6.320985e-06 3.434254e-03 1.849863e-03 0.000485 0.000060 True native_MD 7 246 305 -ND2_AB42_27 CG_AB42_35 1 0.000000e+00 6.316179e-06 ; 3.284981e-01 -6.316179e-06 4.857573e-03 2.514050e-03 0.000485 0.000060 True native_MD 7 246 306 +ND2_AB42_27 CB_AB42_35 1 0.000000e+00 6.320950e-06 ; 3.285188e-01 -6.320950e-06 3.434254e-03 1.849863e-03 0.000485 0.000060 True native_MD 7 246 305 +ND2_AB42_27 CG_AB42_35 1 0.000000e+00 6.316144e-06 ; 3.284980e-01 -6.316144e-06 4.857573e-03 2.514050e-03 0.000485 0.000060 True native_MD 7 246 306 ND2_AB42_27 SD_AB42_35 1 6.827765e-04 7.365263e-07 ; 3.202469e-01 1.582373e-01 7.485029e-03 2.383614e-03 0.000485 0.002166 True native_MD 7 246 307 -ND2_AB42_27 CE_AB42_35 1 0.000000e+00 4.695640e-06 ; 3.204815e-01 -4.695640e-06 1.065082e-02 4.664727e-03 0.000485 0.000060 True native_MD 7 246 308 +ND2_AB42_27 CE_AB42_35 1 0.000000e+00 4.695631e-06 ; 3.204814e-01 -4.695631e-06 1.065082e-02 4.664727e-03 0.000485 0.000060 True native_MD 7 246 308 ND2_AB42_27 C_AB42_35 1 4.741714e-04 5.975850e-07 ; 3.286579e-01 9.406131e-02 9.967059e-04 7.756927e-04 0.000485 0.002166 True native_MD 7 246 309 ND2_AB42_27 O_AB42_35 1 1.839096e-04 1.007069e-07 ; 2.860284e-01 8.396331e-02 7.367610e-04 1.045594e-03 0.000485 0.002166 True native_MD 7 246 310 ND2_AB42_27 N_AB42_36 1 2.381968e-04 1.481698e-07 ; 2.921711e-01 9.573089e-02 1.047770e-03 2.452998e-04 0.000485 0.002166 True native_MD 7 246 311 ND2_AB42_27 CA_AB42_36 1 2.612467e-03 1.228472e-05 ; 4.093101e-01 1.388917e-01 4.857502e-03 1.705818e-03 0.000485 0.001339 True native_MD 7 246 313 -ND2_AB42_27 CB_AB42_36 1 0.000000e+00 1.291000e-05 ; 3.486627e-01 -1.291000e-05 1.344998e-02 3.040914e-03 0.000485 0.000060 True native_MD 7 246 314 -ND2_AB42_27 CG1_AB42_36 1 0.000000e+00 4.678067e-06 ; 3.203813e-01 -4.678067e-06 1.239956e-02 2.693463e-03 0.000485 0.000060 True native_MD 7 246 315 -ND2_AB42_27 CG2_AB42_36 1 0.000000e+00 4.688732e-06 ; 3.204421e-01 -4.688732e-06 1.055295e-02 3.104428e-03 0.000485 0.000060 True native_MD 7 246 316 +ND2_AB42_27 CB_AB42_36 1 0.000000e+00 1.291008e-05 ; 3.486629e-01 -1.291008e-05 1.344998e-02 3.040914e-03 0.000485 0.000060 True native_MD 7 246 314 +ND2_AB42_27 CG1_AB42_36 1 0.000000e+00 4.678058e-06 ; 3.203813e-01 -4.678058e-06 1.239956e-02 2.693463e-03 0.000485 0.000060 True native_MD 7 246 315 +ND2_AB42_27 CG2_AB42_36 1 0.000000e+00 4.688723e-06 ; 3.204421e-01 -4.688723e-06 1.055295e-02 3.104428e-03 0.000485 0.000060 True native_MD 7 246 316 ND2_AB42_27 C_AB42_36 1 6.260017e-04 8.177973e-07 ; 3.306321e-01 1.197968e-01 2.152994e-03 9.333638e-04 0.000485 0.002166 True native_MD 7 246 317 ND2_AB42_27 O_AB42_36 1 1.650686e-04 5.717612e-08 ; 2.650076e-01 1.191391e-01 2.111030e-03 1.201068e-03 0.000485 0.002166 True native_MD 7 246 318 ND2_AB42_27 N_AB42_37 1 8.633758e-04 1.447799e-06 ; 3.446816e-01 1.287157e-01 2.811628e-03 7.394275e-04 0.000485 0.002166 True native_MD 7 246 319 @@ -46044,7 +46044,7 @@ ND2_AB42_27 O_AB42_39 1 2.268060e-04 5.789293e-08 ; 2.518615e-01 2.221384 ND2_AB42_27 N_AB42_40 1 1.279656e-03 2.581126e-06 ; 3.554561e-01 1.586052e-01 6.877367e-03 1.096033e-04 0.000485 0.002166 True native_MD 7 246 337 ND2_AB42_27 CA_AB42_40 1 3.060575e-03 1.118094e-05 ; 3.924453e-01 2.094441e-01 3.148894e-02 7.076653e-04 0.000485 0.001339 True native_MD 7 246 339 ND2_AB42_27 CB_AB42_40 1 8.575082e-04 2.406725e-06 ; 3.755762e-01 7.638184e-02 2.093955e-02 2.129404e-03 0.000485 0.000060 True native_MD 7 246 340 -ND2_AB42_27 CG1_AB42_40 1 0.000000e+00 4.667911e-06 ; 3.203233e-01 -4.667911e-06 1.365654e-02 1.800560e-03 0.000485 0.000060 True native_MD 7 246 341 +ND2_AB42_27 CG1_AB42_40 1 0.000000e+00 4.667903e-06 ; 3.203233e-01 -4.667903e-06 1.365654e-02 1.800560e-03 0.000485 0.000060 True native_MD 7 246 341 ND2_AB42_27 CG2_AB42_40 1 3.442436e-04 3.838052e-07 ; 3.220136e-01 7.718998e-02 1.701365e-02 1.688827e-03 0.000485 0.000060 True native_MD 7 246 342 ND2_AB42_27 C_AB42_40 1 9.011956e-04 1.327153e-06 ; 3.373005e-01 1.529879e-01 5.813220e-03 2.459496e-04 0.000485 0.002166 True native_MD 7 246 343 ND2_AB42_27 O_AB42_40 1 2.001899e-04 6.724782e-08 ; 2.636570e-01 1.489862e-01 5.157125e-03 3.045877e-04 0.000485 0.002166 True native_MD 7 246 344 @@ -46058,31 +46058,31 @@ ND2_AB42_27 C_AB42_41 1 9.292091e-04 1.347699e-06 ; 3.364443e-01 1.601674 ND2_AB42_27 O_AB42_41 1 1.822747e-04 5.442633e-08 ; 2.585317e-01 1.526103e-01 5.747890e-03 4.070509e-04 0.000485 0.002166 True native_MD 7 246 353 ND2_AB42_27 N_AB42_42 1 8.940851e-04 1.402932e-06 ; 3.408864e-01 1.424496e-01 4.240851e-03 3.515819e-04 0.000485 0.002166 True native_MD 7 246 354 ND2_AB42_27 CA_AB42_42 1 1.568748e-03 3.837364e-06 ; 3.670681e-01 1.603295e-01 1.031495e-02 1.907072e-03 0.000485 0.001339 True native_MD 7 246 356 -ND2_AB42_27 CB_AB42_42 1 0.000000e+00 4.697925e-06 ; 3.204944e-01 -4.697925e-06 7.220587e-03 1.718052e-03 0.000485 0.000060 True native_MD 7 246 357 +ND2_AB42_27 CB_AB42_42 1 0.000000e+00 4.697916e-06 ; 3.204944e-01 -4.697916e-06 7.220587e-03 1.718052e-03 0.000485 0.000060 True native_MD 7 246 357 ND2_AB42_27 C_AB42_42 1 3.485277e-04 2.295950e-07 ; 2.949766e-01 1.322672e-01 3.126917e-03 1.143242e-03 0.000485 0.002166 True native_MD 7 246 358 ND2_AB42_27 O1_AB42_42 1 1.206374e-04 3.081594e-08 ; 2.518927e-01 1.180670e-01 2.044374e-03 7.395419e-04 0.000485 0.002166 True native_MD 7 246 359 ND2_AB42_27 O2_AB42_42 1 1.206374e-04 3.081594e-08 ; 2.518927e-01 1.180670e-01 2.044374e-03 7.395419e-04 0.000485 0.002166 True native_MD 7 246 360 - C_AB42_27 CB_AB42_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 252 - C_AB42_27 CG_AB42_28 1 0.000000e+00 6.331979e-06 ; 3.285665e-01 -6.331979e-06 9.999285e-01 9.996155e-01 0.000485 0.000060 True native_MD 4 247 253 - C_AB42_27 CD_AB42_28 1 0.000000e+00 6.277454e-06 ; 3.283298e-01 -6.277454e-06 3.905395e-01 3.816182e-01 0.000485 0.000060 True native_MD 5 247 254 - C_AB42_27 CE_AB42_28 1 0.000000e+00 6.233973e-06 ; 3.281397e-01 -6.233973e-06 9.003896e-02 7.425292e-02 0.000485 0.000060 True native_MD 6 247 255 + C_AB42_27 CB_AB42_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 252 + C_AB42_27 CG_AB42_28 1 0.000000e+00 6.331872e-06 ; 3.285660e-01 -6.331872e-06 9.999285e-01 9.996155e-01 0.000485 0.000060 True native_MD 4 247 253 + C_AB42_27 CD_AB42_28 1 0.000000e+00 6.277348e-06 ; 3.283293e-01 -6.277348e-06 3.905395e-01 3.816182e-01 0.000485 0.000060 True native_MD 5 247 254 + C_AB42_27 CE_AB42_28 1 0.000000e+00 6.233868e-06 ; 3.281392e-01 -6.233868e-06 9.003896e-02 7.425292e-02 0.000485 0.000060 True native_MD 6 247 255 C_AB42_27 NZ_AB42_28 1 7.558451e-04 1.146082e-06 ; 3.389460e-01 1.246206e-01 1.508783e-02 1.313880e-02 0.000485 0.002166 True native_MD 7 247 256 - C_AB42_27 O_AB42_28 1 0.000000e+00 7.465115e-07 ; 2.749464e-01 -7.465115e-07 9.234666e-01 8.262031e-01 0.000485 0.000060 True native_MD 4 247 258 - C_AB42_27 N_AB42_29 1 0.000000e+00 1.537254e-06 ; 2.920051e-01 -1.537254e-06 9.654812e-01 9.847798e-01 0.000485 0.000060 True native_MD 4 247 259 - C_AB42_27 CA_AB42_29 1 0.000000e+00 6.781751e-06 ; 3.304508e-01 -6.781751e-06 7.195839e-01 7.902806e-01 0.000485 0.000060 True native_MD 5 247 261 - C_AB42_27 C_AB42_29 1 0.000000e+00 2.468874e-06 ; 3.037642e-01 -2.468874e-06 1.950705e-01 1.451601e-01 0.000485 0.000060 True native_MD 6 247 262 + C_AB42_27 O_AB42_28 1 0.000000e+00 7.465081e-07 ; 2.749463e-01 -7.465081e-07 9.234666e-01 8.262031e-01 0.000485 0.000060 True native_MD 4 247 258 + C_AB42_27 N_AB42_29 1 0.000000e+00 1.537232e-06 ; 2.920048e-01 -1.537232e-06 9.654812e-01 9.847798e-01 0.000485 0.000060 True native_MD 4 247 259 + C_AB42_27 CA_AB42_29 1 0.000000e+00 6.781637e-06 ; 3.304503e-01 -6.781637e-06 7.195839e-01 7.902806e-01 0.000485 0.000060 True native_MD 5 247 261 + C_AB42_27 C_AB42_29 1 0.000000e+00 2.468831e-06 ; 3.037637e-01 -2.468831e-06 1.950705e-01 1.451601e-01 0.000485 0.000060 True native_MD 6 247 262 C_AB42_27 O_AB42_29 1 9.137509e-04 1.540991e-06 ; 3.450077e-01 1.354551e-01 5.430061e-02 3.419215e-02 0.000485 0.002166 True native_MD 7 247 263 C_AB42_27 N_AB42_30 1 8.064479e-04 1.340031e-06 ; 3.441568e-01 1.213327e-01 2.636073e-01 2.532902e-01 0.000485 0.002166 True native_MD 7 247 264 C_AB42_27 CA_AB42_30 1 2.142476e-03 1.090759e-05 ; 4.147650e-01 1.052067e-01 2.765271e-01 2.660966e-01 0.000485 0.001339 True native_MD 7 247 266 - C_AB42_27 CB_AB42_30 1 0.000000e+00 4.586079e-06 ; 3.198516e-01 -4.586079e-06 2.558061e-01 2.261758e-01 0.000485 0.000060 True native_MD 7 247 267 + C_AB42_27 CB_AB42_30 1 0.000000e+00 4.586020e-06 ; 3.198512e-01 -4.586020e-06 2.558061e-01 2.261758e-01 0.000485 0.000060 True native_MD 7 247 267 C_AB42_27 C_AB42_30 1 2.559679e-03 1.035068e-05 ; 3.991449e-01 1.582494e-01 4.572767e-02 1.455593e-02 0.000485 0.002166 True native_MD 7 247 268 C_AB42_27 O_AB42_30 1 4.363440e-04 3.533829e-07 ; 3.053065e-01 1.346953e-01 2.272089e-02 1.463600e-02 0.000485 0.002166 True native_MD 7 247 269 C_AB42_27 N_AB42_31 1 1.795357e-03 4.964104e-06 ; 3.746407e-01 1.623308e-01 4.616545e-02 1.300586e-02 0.000485 0.002166 True native_MD 7 247 270 C_AB42_27 CA_AB42_31 1 4.561749e-03 3.765620e-05 ; 4.495564e-01 1.381549e-01 5.487873e-02 1.970102e-02 0.000485 0.001339 True native_MD 7 247 272 - C_AB42_27 CB_AB42_31 1 0.000000e+00 1.258105e-05 ; 3.479136e-01 -1.258105e-05 7.213934e-02 3.606662e-02 0.000485 0.000060 True native_MD 7 247 273 - C_AB42_27 CG1_AB42_31 1 0.000000e+00 6.216132e-06 ; 3.280613e-01 -6.216132e-06 6.972378e-02 5.112097e-02 0.000485 0.000060 True native_MD 7 247 274 - C_AB42_27 CG2_AB42_31 1 0.000000e+00 4.615347e-06 ; 3.200212e-01 -4.615347e-06 4.630933e-02 2.287182e-02 0.000485 0.000060 True native_MD 7 247 275 - C_AB42_27 CD_AB42_31 1 0.000000e+00 4.658195e-06 ; 3.202677e-01 -4.658195e-06 4.882823e-02 3.445697e-02 0.000485 0.000060 True native_MD 7 247 276 + C_AB42_27 CB_AB42_31 1 0.000000e+00 1.258098e-05 ; 3.479134e-01 -1.258098e-05 7.213934e-02 3.606662e-02 0.000485 0.000060 True native_MD 7 247 273 + C_AB42_27 CG1_AB42_31 1 0.000000e+00 6.216027e-06 ; 3.280609e-01 -6.216027e-06 6.972378e-02 5.112097e-02 0.000485 0.000060 True native_MD 7 247 274 + C_AB42_27 CG2_AB42_31 1 0.000000e+00 4.615287e-06 ; 3.200208e-01 -4.615287e-06 4.630933e-02 2.287182e-02 0.000485 0.000060 True native_MD 7 247 275 + C_AB42_27 CD_AB42_31 1 0.000000e+00 4.658135e-06 ; 3.202674e-01 -4.658135e-06 4.882823e-02 3.445697e-02 0.000485 0.000060 True native_MD 7 247 276 C_AB42_27 C_AB42_31 1 2.422751e-03 1.244171e-05 ; 4.153637e-01 1.179445e-01 2.036893e-03 3.638702e-04 0.000485 0.002166 True native_MD 7 247 277 C_AB42_27 O_AB42_31 1 4.147829e-04 4.158170e-07 ; 3.163590e-01 1.034379e-01 1.832564e-03 3.008143e-03 0.000485 0.002166 True native_MD 7 247 278 C_AB42_27 N_AB42_32 1 1.215282e-03 2.932364e-06 ; 3.662324e-01 1.259147e-01 2.585560e-03 8.063337e-05 0.000485 0.002166 True native_MD 7 247 279 @@ -46100,18 +46100,18 @@ ND2_AB42_27 O2_AB42_42 1 1.206374e-04 3.081594e-08 ; 2.518927e-01 1.180670 C_AB42_27 N_AB42_34 1 7.524444e-04 1.470679e-06 ; 3.535959e-01 9.624340e-02 1.063964e-03 4.565386e-05 0.000485 0.002166 True native_MD 7 247 293 C_AB42_27 CA_AB42_34 1 2.471911e-03 1.057401e-05 ; 4.029036e-01 1.444661e-01 4.504653e-03 1.675327e-04 0.000485 0.001339 True native_MD 7 247 295 C_AB42_27 CB_AB42_34 1 1.611773e-03 8.544856e-06 ; 4.175740e-01 7.600515e-02 3.550092e-03 3.651120e-04 0.000485 0.000060 True native_MD 7 247 296 - C_AB42_27 CG_AB42_34 1 0.000000e+00 1.295351e-05 ; 3.487605e-01 -1.295351e-05 9.442032e-03 1.906191e-03 0.000485 0.000060 True native_MD 7 247 297 - C_AB42_27 CD1_AB42_34 1 0.000000e+00 4.693499e-06 ; 3.204693e-01 -4.693499e-06 9.427007e-03 2.525713e-03 0.000485 0.000060 True native_MD 7 247 298 - C_AB42_27 CD2_AB42_34 1 0.000000e+00 4.706771e-06 ; 3.205447e-01 -4.706771e-06 6.319008e-03 2.225915e-03 0.000485 0.000060 True native_MD 7 247 299 + C_AB42_27 CG_AB42_34 1 0.000000e+00 1.295344e-05 ; 3.487603e-01 -1.295344e-05 9.442032e-03 1.906191e-03 0.000485 0.000060 True native_MD 7 247 297 + C_AB42_27 CD1_AB42_34 1 0.000000e+00 4.693438e-06 ; 3.204689e-01 -4.693438e-06 9.427007e-03 2.525713e-03 0.000485 0.000060 True native_MD 7 247 298 + C_AB42_27 CD2_AB42_34 1 0.000000e+00 4.706710e-06 ; 3.205443e-01 -4.706710e-06 6.319008e-03 2.225915e-03 0.000485 0.000060 True native_MD 7 247 299 C_AB42_27 C_AB42_34 1 1.665118e-03 9.361708e-06 ; 4.216820e-01 7.404143e-02 5.474888e-04 7.646739e-06 0.000485 0.002166 True native_MD 7 247 300 C_AB42_27 O_AB42_34 1 8.687207e-04 2.442640e-06 ; 3.756902e-01 7.723976e-02 6.024804e-04 1.583154e-04 0.000485 0.002166 True native_MD 7 247 301 C_AB42_27 CA_AB42_35 1 2.469909e-03 1.593704e-05 ; 4.314738e-01 9.569608e-02 1.046679e-03 1.454091e-04 0.000485 0.001339 True native_MD 7 247 304 C_AB42_27 CB_AB42_35 1 1.935229e-03 9.191050e-06 ; 4.099889e-01 1.018685e-01 2.013680e-03 9.550807e-05 0.000485 0.000060 True native_MD 7 247 305 - C_AB42_27 CG_AB42_35 1 0.000000e+00 6.317123e-06 ; 3.285022e-01 -6.317123e-06 3.034002e-03 3.755861e-04 0.000485 0.000060 True native_MD 7 247 306 + C_AB42_27 CG_AB42_35 1 0.000000e+00 6.317017e-06 ; 3.285017e-01 -6.317017e-06 3.034002e-03 3.755861e-04 0.000485 0.000060 True native_MD 7 247 306 C_AB42_27 SD_AB42_35 1 1.170011e-03 2.375340e-06 ; 3.558410e-01 1.440768e-01 4.452481e-03 1.310109e-03 0.000485 0.002166 True native_MD 7 247 307 - C_AB42_27 CE_AB42_35 1 0.000000e+00 4.703705e-06 ; 3.205273e-01 -4.703705e-06 6.690680e-03 1.948877e-03 0.000485 0.000060 True native_MD 7 247 308 + C_AB42_27 CE_AB42_35 1 0.000000e+00 4.703644e-06 ; 3.205269e-01 -4.703644e-06 6.690680e-03 1.948877e-03 0.000485 0.000060 True native_MD 7 247 308 C_AB42_27 CB_AB42_36 1 3.236667e-03 3.002210e-05 ; 4.583781e-01 8.723584e-02 1.073441e-02 7.888657e-04 0.000485 0.000060 True native_MD 7 247 314 - C_AB42_27 CG1_AB42_36 1 0.000000e+00 4.699641e-06 ; 3.205042e-01 -4.699641e-06 6.519799e-03 9.181139e-04 0.000485 0.000060 True native_MD 7 247 315 + C_AB42_27 CG1_AB42_36 1 0.000000e+00 4.699580e-06 ; 3.205039e-01 -4.699580e-06 6.519799e-03 9.181139e-04 0.000485 0.000060 True native_MD 7 247 315 C_AB42_27 CG2_AB42_36 1 2.190596e-03 8.611522e-06 ; 3.972704e-01 1.393108e-01 4.447859e-02 6.879786e-04 0.000485 0.000060 True native_MD 7 247 316 C_AB42_27 CA_AB42_37 1 7.330108e-04 1.664002e-06 ; 3.625272e-01 8.072480e-02 6.687084e-04 6.010359e-04 0.000485 0.001584 True native_MD 7 247 321 C_AB42_27 C_AB42_37 1 1.479043e-03 7.455077e-06 ; 4.140746e-01 7.335831e-02 5.364101e-04 1.368345e-04 0.000485 0.002166 True native_MD 7 247 322 @@ -46148,16 +46148,16 @@ ND2_AB42_27 O2_AB42_42 1 1.206374e-04 3.081594e-08 ; 2.518927e-01 1.180670 C_AB42_27 O2_AB42_42 1 3.556302e-04 3.905094e-07 ; 3.211975e-01 8.096656e-02 6.735640e-04 8.594204e-05 0.000485 0.002166 True native_MD 7 247 360 O_AB42_27 O_AB42_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 248 248 O_AB42_27 H_AB42_28 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 248 250 - O_AB42_27 CB_AB42_28 1 0.000000e+00 2.015644e-06 ; 2.986731e-01 -2.015644e-06 9.999952e-01 9.999889e-01 0.000485 0.000060 True native_MD 4 248 252 - O_AB42_27 CG_AB42_28 1 0.000000e+00 2.033246e-06 ; 2.988896e-01 -2.033246e-06 6.038727e-01 6.125991e-01 0.000485 0.000060 True native_MD 5 248 253 - O_AB42_27 CD_AB42_28 1 0.000000e+00 1.951747e-06 ; 2.978724e-01 -1.951747e-06 1.524984e-01 1.207919e-01 0.000485 0.000060 True native_MD 6 248 254 + O_AB42_27 CB_AB42_28 1 0.000000e+00 2.015636e-06 ; 2.986730e-01 -2.015636e-06 9.999952e-01 9.999889e-01 0.000485 0.000060 True native_MD 4 248 252 + O_AB42_27 CG_AB42_28 1 0.000000e+00 2.033238e-06 ; 2.988895e-01 -2.033238e-06 6.038727e-01 6.125991e-01 0.000485 0.000060 True native_MD 5 248 253 + O_AB42_27 CD_AB42_28 1 0.000000e+00 1.951740e-06 ; 2.978723e-01 -1.951740e-06 1.524984e-01 1.207919e-01 0.000485 0.000060 True native_MD 6 248 254 O_AB42_27 CE_AB42_28 1 6.290879e-04 8.895467e-07 ; 3.350242e-01 1.112228e-01 3.941214e-02 2.816894e-02 0.000485 0.001191 True native_MD 7 248 255 O_AB42_27 NZ_AB42_28 1 1.479734e-04 4.045877e-08 ; 2.547641e-01 1.352990e-01 1.009258e-02 6.384981e-03 0.000485 0.002166 True native_MD 7 248 256 - O_AB42_27 C_AB42_28 1 0.000000e+00 8.234389e-07 ; 2.772028e-01 -8.234389e-07 9.999067e-01 9.956695e-01 0.000485 0.000060 True native_MD 4 248 257 + O_AB42_27 C_AB42_28 1 0.000000e+00 8.234351e-07 ; 2.772027e-01 -8.234351e-07 9.999067e-01 9.956695e-01 0.000485 0.000060 True native_MD 4 248 257 O_AB42_27 O_AB42_28 1 0.000000e+00 1.403669e-06 ; 2.898013e-01 -1.403669e-06 9.012130e-01 8.369924e-01 0.000485 0.000060 True native_MD 5 248 258 O_AB42_27 N_AB42_29 1 0.000000e+00 1.516456e-06 ; 2.916738e-01 -1.516456e-06 8.998895e-01 9.108601e-01 0.000485 0.000060 True native_MD 5 248 259 - O_AB42_27 H_AB42_29 1 0.000000e+00 1.487325e-08 ; 1.983941e-01 -1.487325e-08 2.355876e-01 1.941504e-01 0.000485 0.000060 True native_MD 6 248 260 - O_AB42_27 CA_AB42_29 1 0.000000e+00 1.812593e-06 ; 2.960420e-01 -1.812593e-06 4.954493e-01 3.947062e-01 0.000485 0.000060 True native_MD 6 248 261 + O_AB42_27 H_AB42_29 1 0.000000e+00 1.487349e-08 ; 1.983944e-01 -1.487349e-08 2.355876e-01 1.941504e-01 0.000485 0.000060 True native_MD 6 248 260 + O_AB42_27 CA_AB42_29 1 0.000000e+00 1.812586e-06 ; 2.960419e-01 -1.812586e-06 4.954493e-01 3.947062e-01 0.000485 0.000060 True native_MD 6 248 261 O_AB42_27 C_AB42_29 1 1.309164e-03 2.922834e-06 ; 3.615222e-01 1.465966e-01 1.975426e-01 8.912108e-02 0.000485 0.002166 True native_MD 7 248 262 O_AB42_27 O_AB42_29 1 0.000000e+00 1.373806e-06 ; 2.892825e-01 -1.373806e-06 1.342321e-01 5.010306e-02 0.000485 0.000060 True native_MD 7 248 263 O_AB42_27 N_AB42_30 1 1.765655e-04 6.557758e-08 ; 2.681071e-01 1.188492e-01 2.816021e-01 2.914640e-01 0.000485 0.002166 True native_MD 7 248 264 @@ -46251,25 +46251,25 @@ ND2_AB42_27 O2_AB42_42 1 1.206374e-04 3.081594e-08 ; 2.518927e-01 1.180670 O_AB42_27 C_AB42_42 1 1.454101e-03 4.368755e-06 ; 3.798632e-01 1.209961e-01 2.231667e-03 4.380841e-04 0.000485 0.002166 True native_MD 7 248 358 O_AB42_27 O1_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 248 359 O_AB42_27 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 248 360 - N_AB42_28 CB_AB42_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 249 252 - N_AB42_28 CG_AB42_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 249 253 - N_AB42_28 CD_AB42_28 1 0.000000e+00 3.666610e-06 ; 3.139427e-01 -3.666610e-06 9.598901e-01 9.573135e-01 0.000485 0.000060 True native_MD 4 249 254 - N_AB42_28 CE_AB42_28 1 0.000000e+00 4.039855e-06 ; 3.164891e-01 -4.039855e-06 1.911731e-01 2.901300e-01 0.000485 0.000060 True native_MD 5 249 255 - N_AB42_28 NZ_AB42_28 1 0.000000e+00 8.888809e-07 ; 2.789750e-01 -8.888809e-07 9.745513e-03 2.526819e-02 0.000485 0.000060 True native_MD 6 249 256 - N_AB42_28 CA_AB42_29 1 0.000000e+00 3.660881e-06 ; 3.139018e-01 -3.660881e-06 9.905169e-01 9.863818e-01 0.000485 0.000060 True native_MD 4 249 261 - N_AB42_28 C_AB42_29 1 0.000000e+00 1.507529e-06 ; 2.915304e-01 -1.507529e-06 7.393974e-02 7.352850e-02 0.000485 0.000060 True native_MD 5 249 262 + N_AB42_28 CB_AB42_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 249 252 + N_AB42_28 CG_AB42_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 249 253 + N_AB42_28 CD_AB42_28 1 0.000000e+00 3.666562e-06 ; 3.139424e-01 -3.666562e-06 9.598901e-01 9.573135e-01 0.000485 0.000060 True native_MD 4 249 254 + N_AB42_28 CE_AB42_28 1 0.000000e+00 4.039802e-06 ; 3.164888e-01 -4.039802e-06 1.911731e-01 2.901300e-01 0.000485 0.000060 True native_MD 5 249 255 + N_AB42_28 NZ_AB42_28 1 0.000000e+00 8.888716e-07 ; 2.789748e-01 -8.888716e-07 9.745513e-03 2.526819e-02 0.000485 0.000060 True native_MD 6 249 256 + N_AB42_28 CA_AB42_29 1 0.000000e+00 3.660833e-06 ; 3.139015e-01 -3.660833e-06 9.905169e-01 9.863818e-01 0.000485 0.000060 True native_MD 4 249 261 + N_AB42_28 C_AB42_29 1 0.000000e+00 1.507507e-06 ; 2.915300e-01 -1.507507e-06 7.393974e-02 7.352850e-02 0.000485 0.000060 True native_MD 5 249 262 N_AB42_28 O_AB42_29 1 0.000000e+00 1.450180e-06 ; 2.905897e-01 -1.450180e-06 1.033838e-01 7.017031e-02 0.000485 0.000060 True native_MD 6 249 263 - N_AB42_28 N_AB42_30 1 0.000000e+00 8.849390e-07 ; 2.788717e-01 -8.849390e-07 1.567824e-01 1.678016e-01 0.000485 0.000060 True native_MD 6 249 264 + N_AB42_28 N_AB42_30 1 0.000000e+00 8.849298e-07 ; 2.788715e-01 -8.849298e-07 1.567824e-01 1.678016e-01 0.000485 0.000060 True native_MD 6 249 264 N_AB42_28 CA_AB42_30 1 4.545987e-03 4.502201e-05 ; 4.634108e-01 1.147550e-01 1.194952e-01 8.640953e-02 0.000485 0.001339 True native_MD 7 249 266 - N_AB42_28 CB_AB42_30 1 0.000000e+00 2.683391e-06 ; 3.058806e-01 -2.683391e-06 5.742467e-02 3.571955e-02 0.000485 0.000060 True native_MD 7 249 267 + N_AB42_28 CB_AB42_30 1 0.000000e+00 2.683365e-06 ; 3.058804e-01 -2.683365e-06 5.742467e-02 3.571955e-02 0.000485 0.000060 True native_MD 7 249 267 N_AB42_28 C_AB42_30 1 1.213949e-03 3.682273e-06 ; 3.804690e-01 1.000518e-01 1.192403e-03 3.975824e-04 0.000485 0.002166 True native_MD 7 249 268 N_AB42_28 O_AB42_30 1 1.979129e-04 8.067507e-08 ; 2.722978e-01 1.213805e-01 9.044456e-03 8.678284e-03 0.000485 0.002166 True native_MD 7 249 269 N_AB42_28 N_AB42_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 3.331824e-04 1.057056e-04 0.000485 0.000060 True native_MD 7 249 270 N_AB42_28 CA_AB42_31 1 4.928705e-03 4.139431e-05 ; 4.508527e-01 1.467118e-01 4.817788e-03 1.211502e-03 0.000485 0.001339 True native_MD 7 249 272 - N_AB42_28 CB_AB42_31 1 0.000000e+00 7.383486e-06 ; 3.328001e-01 -7.383486e-06 3.320121e-02 7.919558e-03 0.000485 0.000060 True native_MD 7 249 273 - N_AB42_28 CG1_AB42_31 1 0.000000e+00 3.607925e-06 ; 3.135209e-01 -3.607925e-06 4.329178e-02 2.475124e-02 0.000485 0.000060 True native_MD 7 249 274 - N_AB42_28 CG2_AB42_31 1 0.000000e+00 2.715182e-06 ; 3.061810e-01 -2.715182e-06 1.989622e-02 9.781266e-03 0.000485 0.000060 True native_MD 7 249 275 - N_AB42_28 CD_AB42_31 1 0.000000e+00 2.716106e-06 ; 3.061897e-01 -2.716106e-06 2.750976e-02 1.773168e-02 0.000485 0.000060 True native_MD 7 249 276 + N_AB42_28 CB_AB42_31 1 0.000000e+00 7.383475e-06 ; 3.328001e-01 -7.383475e-06 3.320121e-02 7.919558e-03 0.000485 0.000060 True native_MD 7 249 273 + N_AB42_28 CG1_AB42_31 1 0.000000e+00 3.607878e-06 ; 3.135205e-01 -3.607878e-06 4.329178e-02 2.475124e-02 0.000485 0.000060 True native_MD 7 249 274 + N_AB42_28 CG2_AB42_31 1 0.000000e+00 2.715156e-06 ; 3.061808e-01 -2.715156e-06 1.989622e-02 9.781266e-03 0.000485 0.000060 True native_MD 7 249 275 + N_AB42_28 CD_AB42_31 1 0.000000e+00 2.716080e-06 ; 3.061894e-01 -2.716080e-06 2.750976e-02 1.773168e-02 0.000485 0.000060 True native_MD 7 249 276 N_AB42_28 O_AB42_31 1 1.183943e-04 4.469624e-08 ; 2.688376e-01 7.840269e-02 1.486194e-03 5.160537e-03 0.000485 0.002166 True native_MD 7 249 278 N_AB42_28 N_AB42_32 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 4.242587e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 249 279 N_AB42_28 CA_AB42_32 1 5.268066e-03 4.552330e-05 ; 4.529988e-01 1.524083e-01 5.713258e-03 4.169212e-04 0.000485 0.001339 True native_MD 7 249 281 @@ -46287,13 +46287,13 @@ ND2_AB42_27 O2_AB42_42 1 1.206374e-04 3.081594e-08 ; 2.518927e-01 1.180670 N_AB42_28 CA_AB42_34 1 2.835902e-03 1.510016e-05 ; 4.178769e-01 1.331499e-01 3.210614e-03 1.000013e-04 0.000485 0.001339 True native_MD 7 249 295 N_AB42_28 CB_AB42_34 1 1.528358e-03 7.357664e-06 ; 4.109155e-01 7.936889e-02 2.313775e-03 2.151742e-04 0.000485 0.000060 True native_MD 7 249 296 N_AB42_28 CG_AB42_34 1 1.578907e-03 7.438249e-06 ; 4.094357e-01 8.378815e-02 5.670508e-03 4.620142e-04 0.000485 0.000060 True native_MD 7 249 297 - N_AB42_28 CD1_AB42_34 1 0.000000e+00 2.726704e-06 ; 3.062891e-01 -2.726704e-06 7.141106e-03 1.226803e-03 0.000485 0.000060 True native_MD 7 249 298 - N_AB42_28 CD2_AB42_34 1 0.000000e+00 2.732971e-06 ; 3.063477e-01 -2.732971e-06 5.066245e-03 1.436875e-03 0.000485 0.000060 True native_MD 7 249 299 + N_AB42_28 CD1_AB42_34 1 0.000000e+00 2.726678e-06 ; 3.062888e-01 -2.726678e-06 7.141106e-03 1.226803e-03 0.000485 0.000060 True native_MD 7 249 298 + N_AB42_28 CD2_AB42_34 1 0.000000e+00 2.732945e-06 ; 3.063474e-01 -2.732945e-06 5.066245e-03 1.436875e-03 0.000485 0.000060 True native_MD 7 249 299 N_AB42_28 N_AB42_35 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 6.161512e-08 0.000000e+00 0.000485 0.000060 True native_MD 7 249 302 N_AB42_28 CB_AB42_35 1 1.126100e-03 3.667519e-06 ; 3.850046e-01 8.644143e-02 7.934763e-04 5.565065e-05 0.000485 0.000060 True native_MD 7 249 305 - N_AB42_28 CG_AB42_35 1 0.000000e+00 3.672247e-06 ; 3.139829e-01 -3.672247e-06 1.266148e-03 2.229750e-04 0.000485 0.000060 True native_MD 7 249 306 + N_AB42_28 CG_AB42_35 1 0.000000e+00 3.672199e-06 ; 3.139826e-01 -3.672199e-06 1.266148e-03 2.229750e-04 0.000485 0.000060 True native_MD 7 249 306 N_AB42_28 SD_AB42_35 1 7.707873e-04 1.147230e-06 ; 3.378983e-01 1.294669e-01 2.875552e-03 4.355008e-04 0.000485 0.002166 True native_MD 7 249 307 - N_AB42_28 CE_AB42_35 1 0.000000e+00 2.738376e-06 ; 3.063981e-01 -2.738376e-06 2.772124e-03 1.113121e-03 0.000485 0.000060 True native_MD 7 249 308 + N_AB42_28 CE_AB42_35 1 0.000000e+00 2.738350e-06 ; 3.063979e-01 -2.738350e-06 2.772124e-03 1.113121e-03 0.000485 0.000060 True native_MD 7 249 308 N_AB42_28 N_AB42_36 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 6.865309e-05 0.000000e+00 0.000485 0.000060 True native_MD 7 249 311 N_AB42_28 CB_AB42_36 1 4.335797e-03 2.685152e-05 ; 4.285321e-01 1.750285e-01 1.520794e-02 8.077612e-05 0.000485 0.000060 True native_MD 7 249 314 N_AB42_28 CG1_AB42_36 1 1.399162e-03 3.810820e-06 ; 3.737017e-01 1.284273e-01 6.012729e-03 1.288087e-04 0.000485 0.000060 True native_MD 7 249 315 @@ -46335,7 +46335,7 @@ ND2_AB42_27 O2_AB42_42 1 1.206374e-04 3.081594e-08 ; 2.518927e-01 1.180670 N_AB42_28 O1_AB42_42 1 1.049815e-04 2.542950e-08 ; 2.496726e-01 1.083497e-01 1.528509e-03 1.558809e-04 0.000485 0.002166 True native_MD 7 249 359 N_AB42_28 O2_AB42_42 1 1.049815e-04 2.542950e-08 ; 2.496726e-01 1.083497e-01 1.528509e-03 1.558809e-04 0.000485 0.002166 True native_MD 7 249 360 H_AB42_28 H_AB42_28 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 250 250 - H_AB42_28 O_AB42_28 1 0.000000e+00 1.274764e-08 ; 1.958608e-01 -1.274764e-08 3.577642e-01 1.793339e-01 0.000485 0.000060 True native_MD 4 250 258 + H_AB42_28 O_AB42_28 1 0.000000e+00 1.274784e-08 ; 1.958610e-01 -1.274784e-08 3.577642e-01 1.793339e-01 0.000485 0.000060 True native_MD 4 250 258 H_AB42_28 H_AB42_29 1 0.000000e+00 1.533265e-08 ; 1.988977e-01 -1.533265e-08 4.228321e-01 7.005527e-01 0.000485 0.000060 True native_MD 5 250 260 H_AB42_28 O_AB42_29 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 250 263 H_AB42_28 H_AB42_30 1 0.000000e+00 1.224893e-08 ; 1.952105e-01 -1.224893e-08 4.572744e-03 2.531723e-02 0.000485 0.000060 True native_MD 7 250 265 @@ -46365,12 +46365,12 @@ ND2_AB42_27 O2_AB42_42 1 1.206374e-04 3.081594e-08 ; 2.518927e-01 1.180670 H_AB42_28 H_AB42_42 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 250 355 H_AB42_28 O1_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 250 359 H_AB42_28 O2_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 250 360 - CA_AB42_28 CE_AB42_28 1 0.000000e+00 3.181379e-05 ; 3.758775e-01 -3.181379e-05 9.999943e-01 9.999985e-01 0.000485 0.000060 True native_MD 4 251 255 - CA_AB42_28 NZ_AB42_28 1 0.000000e+00 9.077882e-06 ; 3.385793e-01 -9.077882e-06 2.646518e-01 4.630529e-01 0.000485 0.000060 True native_MD 5 251 256 - CA_AB42_28 C_AB42_29 1 0.000000e+00 1.305191e-05 ; 3.489805e-01 -1.305191e-05 9.999953e-01 9.999990e-01 0.000485 0.000060 True native_MD 4 251 262 - CA_AB42_28 O_AB42_29 1 0.000000e+00 2.724430e-06 ; 3.062678e-01 -2.724430e-06 5.505142e-01 2.064511e-01 0.000485 0.000060 True native_MD 5 251 263 - CA_AB42_28 N_AB42_30 1 0.000000e+00 1.016634e-05 ; 3.417895e-01 -1.016634e-05 4.595401e-01 8.016315e-01 0.000485 0.000060 True native_MD 5 251 264 - CA_AB42_28 CA_AB42_30 1 0.000000e+00 8.663783e-05 ; 4.086053e-01 -8.663783e-05 4.697030e-01 7.912933e-01 0.000485 0.000060 True native_MD 6 251 266 + CA_AB42_28 CE_AB42_28 1 0.000000e+00 3.181365e-05 ; 3.758773e-01 -3.181365e-05 9.999943e-01 9.999985e-01 0.000485 0.000060 True native_MD 4 251 255 + CA_AB42_28 NZ_AB42_28 1 0.000000e+00 9.077868e-06 ; 3.385792e-01 -9.077868e-06 2.646518e-01 4.630529e-01 0.000485 0.000060 True native_MD 5 251 256 + CA_AB42_28 C_AB42_29 1 0.000000e+00 1.305185e-05 ; 3.489804e-01 -1.305185e-05 9.999953e-01 9.999990e-01 0.000485 0.000060 True native_MD 4 251 262 + CA_AB42_28 O_AB42_29 1 0.000000e+00 2.724452e-06 ; 3.062680e-01 -2.724452e-06 5.505142e-01 2.064511e-01 0.000485 0.000060 True native_MD 5 251 263 + CA_AB42_28 N_AB42_30 1 0.000000e+00 1.016632e-05 ; 3.417894e-01 -1.016632e-05 4.595401e-01 8.016315e-01 0.000485 0.000060 True native_MD 5 251 264 + CA_AB42_28 CA_AB42_30 1 0.000000e+00 8.663847e-05 ; 4.086055e-01 -8.663847e-05 4.697030e-01 7.912933e-01 0.000485 0.000060 True native_MD 6 251 266 CA_AB42_28 CB_AB42_30 1 5.542668e-03 7.448359e-05 ; 4.875924e-01 1.031139e-01 2.934686e-01 4.339627e-01 0.000485 0.001932 True native_MD 7 251 267 CA_AB42_28 C_AB42_30 1 5.956946e-03 7.341388e-05 ; 4.806096e-01 1.208396e-01 7.709786e-02 4.646951e-02 0.000485 0.001339 True native_MD 7 251 268 CA_AB42_28 O_AB42_30 1 1.620772e-03 6.068343e-06 ; 3.940561e-01 1.082215e-01 4.566011e-02 4.014814e-02 0.000485 0.001339 True native_MD 7 251 269 @@ -46381,7 +46381,7 @@ ND2_AB42_27 O2_AB42_42 1 1.206374e-04 3.081594e-08 ; 2.518927e-01 1.180670 CA_AB42_28 CG2_AB42_31 1 1.736860e-03 6.018165e-06 ; 3.890002e-01 1.253158e-01 9.888871e-02 7.524660e-02 0.000485 0.001932 True native_MD 7 251 275 CA_AB42_28 CD_AB42_31 1 1.463489e-03 4.683951e-06 ; 3.838874e-01 1.143159e-01 1.176247e-01 1.243944e-01 0.000485 0.001932 True native_MD 7 251 276 CA_AB42_28 C_AB42_31 1 3.391680e-03 2.687042e-05 ; 4.464881e-01 1.070275e-01 1.340957e-02 1.221946e-02 0.000485 0.001339 True native_MD 7 251 277 - CA_AB42_28 O_AB42_31 1 0.000000e+00 4.222808e-06 ; 3.176594e-01 -4.222808e-06 4.846134e-03 2.153408e-02 0.000485 0.001339 True native_MD 7 251 278 + CA_AB42_28 O_AB42_31 1 0.000000e+00 4.222841e-06 ; 3.176597e-01 -4.222841e-06 4.846134e-03 2.153408e-02 0.000485 0.001339 True native_MD 7 251 278 CA_AB42_28 N_AB42_32 1 6.032827e-03 4.705177e-05 ; 4.453237e-01 1.933774e-01 3.485738e-02 2.397044e-03 0.000485 0.001339 True native_MD 7 251 279 CA_AB42_28 CA_AB42_32 1 1.222663e-02 2.267905e-04 ; 5.145011e-01 1.647892e-01 1.519719e-01 1.620854e-02 0.000485 0.000883 True native_MD 7 251 281 CA_AB42_28 CB_AB42_32 1 4.817746e-03 3.484401e-05 ; 4.397583e-01 1.665328e-01 2.337541e-01 2.366356e-02 0.000485 0.000883 True native_MD 7 251 282 @@ -46451,27 +46451,27 @@ ND2_AB42_27 O2_AB42_42 1 1.206374e-04 3.081594e-08 ; 2.518927e-01 1.180670 CA_AB42_28 C_AB42_42 1 2.831842e-03 1.223260e-05 ; 4.035602e-01 1.638925e-01 8.056371e-03 1.157726e-03 0.000485 0.001339 True native_MD 7 251 358 CA_AB42_28 O1_AB42_42 1 5.853201e-04 6.529012e-07 ; 3.220394e-01 1.311836e-01 3.027140e-03 3.871387e-04 0.000485 0.001339 True native_MD 7 251 359 CA_AB42_28 O2_AB42_42 1 5.853201e-04 6.529012e-07 ; 3.220394e-01 1.311836e-01 3.027140e-03 3.871387e-04 0.000485 0.001339 True native_MD 7 251 360 - CB_AB42_28 NZ_AB42_28 1 0.000000e+00 3.818465e-06 ; 3.150062e-01 -3.818465e-06 9.168501e-01 9.555825e-01 0.000485 0.000060 True native_MD 4 252 256 - CB_AB42_28 C_AB42_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 252 257 + CB_AB42_28 NZ_AB42_28 1 0.000000e+00 3.818415e-06 ; 3.150058e-01 -3.818415e-06 9.168501e-01 9.555825e-01 0.000485 0.000060 True native_MD 4 252 256 + CB_AB42_28 C_AB42_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 252 257 CB_AB42_28 O_AB42_28 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 252 258 - CB_AB42_28 N_AB42_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 252 259 - CB_AB42_28 CA_AB42_29 1 0.000000e+00 1.543890e-05 ; 3.538993e-01 -1.543890e-05 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 252 261 - CB_AB42_28 C_AB42_29 1 0.000000e+00 6.366012e-06 ; 3.287133e-01 -6.366012e-06 3.602176e-01 3.652777e-01 0.000485 0.000060 True native_MD 5 252 262 - CB_AB42_28 O_AB42_29 1 0.000000e+00 1.658272e-06 ; 2.938549e-01 -1.658272e-06 2.472511e-01 6.994702e-02 0.000485 0.000060 True native_MD 6 252 263 - CB_AB42_28 N_AB42_30 1 0.000000e+00 4.444689e-06 ; 3.190179e-01 -4.444689e-06 9.827187e-02 3.073551e-01 0.000485 0.000060 True native_MD 6 252 264 - CB_AB42_28 CA_AB42_30 1 0.000000e+00 3.835001e-05 ; 3.817761e-01 -3.835001e-05 1.032417e-01 3.086993e-01 0.000485 0.001021 True native_MD 7 252 266 + CB_AB42_28 N_AB42_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 252 259 + CB_AB42_28 CA_AB42_29 1 0.000000e+00 1.543866e-05 ; 3.538988e-01 -1.543866e-05 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 252 261 + CB_AB42_28 C_AB42_29 1 0.000000e+00 6.365905e-06 ; 3.287128e-01 -6.365905e-06 3.602176e-01 3.652777e-01 0.000485 0.000060 True native_MD 5 252 262 + CB_AB42_28 O_AB42_29 1 0.000000e+00 1.658266e-06 ; 2.938548e-01 -1.658266e-06 2.472511e-01 6.994702e-02 0.000485 0.000060 True native_MD 6 252 263 + CB_AB42_28 N_AB42_30 1 0.000000e+00 4.444630e-06 ; 3.190176e-01 -4.444630e-06 9.827187e-02 3.073551e-01 0.000485 0.000060 True native_MD 6 252 264 + CB_AB42_28 CA_AB42_30 1 0.000000e+00 3.834985e-05 ; 3.817760e-01 -3.834985e-05 1.032417e-01 3.086993e-01 0.000485 0.001021 True native_MD 7 252 266 CB_AB42_28 CB_AB42_30 1 1.362814e-03 6.123522e-06 ; 4.062195e-01 7.582489e-02 5.506116e-02 2.223393e-01 0.000485 0.002332 True native_MD 7 252 267 - CB_AB42_28 C_AB42_30 1 0.000000e+00 6.361184e-06 ; 3.286925e-01 -6.361184e-06 2.767494e-02 3.197280e-02 0.000485 0.000060 True native_MD 7 252 268 + CB_AB42_28 C_AB42_30 1 0.000000e+00 6.361077e-06 ; 3.286921e-01 -6.361077e-06 2.767494e-02 3.197280e-02 0.000485 0.000060 True native_MD 7 252 268 CB_AB42_28 O_AB42_30 1 4.844593e-04 5.812734e-07 ; 3.259772e-01 1.009425e-01 3.149936e-02 3.062328e-02 0.000485 0.001191 True native_MD 7 252 269 - CB_AB42_28 N_AB42_31 1 0.000000e+00 3.693609e-06 ; 3.141347e-01 -3.693609e-06 1.803824e-02 2.280629e-02 0.000485 0.000060 True native_MD 7 252 270 + CB_AB42_28 N_AB42_31 1 0.000000e+00 3.693561e-06 ; 3.141344e-01 -3.693561e-06 1.803824e-02 2.280629e-02 0.000485 0.000060 True native_MD 7 252 270 CB_AB42_28 CA_AB42_31 1 4.641212e-03 5.433884e-05 ; 4.765186e-01 9.910430e-02 5.093267e-02 4.486234e-02 0.000485 0.001021 True native_MD 7 252 272 CB_AB42_28 CB_AB42_31 1 2.170506e-03 1.176584e-05 ; 4.191251e-01 1.001011e-01 8.404805e-02 7.185511e-02 0.000485 0.001021 True native_MD 7 252 273 CB_AB42_28 CG1_AB42_31 1 1.151600e-03 3.231861e-06 ; 3.755708e-01 1.025866e-01 9.757230e-02 9.027982e-02 0.000485 0.001190 True native_MD 7 252 274 CB_AB42_28 CG2_AB42_31 1 1.319712e-03 3.406817e-06 ; 3.703778e-01 1.278056e-01 4.667999e-02 3.978561e-02 0.000485 0.002332 True native_MD 7 252 275 CB_AB42_28 CD_AB42_31 1 1.382565e-03 3.737107e-06 ; 3.732287e-01 1.278721e-01 8.971816e-02 7.631522e-02 0.000485 0.002332 True native_MD 7 252 276 - CB_AB42_28 C_AB42_31 1 0.000000e+00 6.373014e-06 ; 3.287434e-01 -6.373014e-06 1.261960e-03 7.427605e-03 0.000485 0.000060 True native_MD 7 252 277 - CB_AB42_28 O_AB42_31 1 0.000000e+00 2.040543e-06 ; 2.989789e-01 -2.040543e-06 1.443966e-03 1.379064e-02 0.000485 0.001191 True native_MD 7 252 278 - CB_AB42_28 N_AB42_32 1 0.000000e+00 3.661784e-06 ; 3.139082e-01 -3.661784e-06 5.163090e-03 1.273645e-03 0.000485 0.000060 True native_MD 7 252 279 + CB_AB42_28 C_AB42_31 1 0.000000e+00 6.372907e-06 ; 3.287430e-01 -6.372907e-06 1.261960e-03 7.427605e-03 0.000485 0.000060 True native_MD 7 252 277 + CB_AB42_28 O_AB42_31 1 0.000000e+00 2.040535e-06 ; 2.989788e-01 -2.040535e-06 1.443966e-03 1.379064e-02 0.000485 0.001191 True native_MD 7 252 278 + CB_AB42_28 N_AB42_32 1 0.000000e+00 3.661736e-06 ; 3.139079e-01 -3.661736e-06 5.163090e-03 1.273645e-03 0.000485 0.000060 True native_MD 7 252 279 CB_AB42_28 CA_AB42_32 1 6.882356e-03 6.797455e-05 ; 4.631996e-01 1.742079e-01 1.382865e-01 1.286970e-02 0.000485 0.001021 True native_MD 7 252 281 CB_AB42_28 CB_AB42_32 1 2.338607e-03 7.921636e-06 ; 3.875338e-01 1.725996e-01 1.906206e-01 1.861496e-02 0.000485 0.001021 True native_MD 7 252 282 CB_AB42_28 CG1_AB42_32 1 2.133775e-03 6.742018e-06 ; 3.830660e-01 1.688291e-01 1.582782e-01 2.017222e-02 0.000485 0.001190 True native_MD 7 252 283 @@ -46489,30 +46489,30 @@ ND2_AB42_27 O2_AB42_42 1 1.206374e-04 3.081594e-08 ; 2.518927e-01 1.180670 CB_AB42_28 CG_AB42_34 1 3.327054e-03 2.127882e-05 ; 4.308386e-01 1.300505e-01 2.791415e-02 9.738951e-03 0.000485 0.001021 True native_MD 7 252 297 CB_AB42_28 CD1_AB42_34 1 1.451326e-03 3.559708e-06 ; 3.672329e-01 1.479297e-01 2.119679e-02 9.892793e-03 0.000485 0.002332 True native_MD 7 252 298 CB_AB42_28 CD2_AB42_34 1 1.278047e-03 2.668897e-06 ; 3.575177e-01 1.530037e-01 2.033697e-02 8.154369e-03 0.000485 0.002332 True native_MD 7 252 299 - CB_AB42_28 C_AB42_34 1 0.000000e+00 6.315525e-06 ; 3.284953e-01 -6.315525e-06 3.445588e-03 5.348459e-04 0.000485 0.000060 True native_MD 7 252 300 + CB_AB42_28 C_AB42_34 1 0.000000e+00 6.315418e-06 ; 3.284948e-01 -6.315418e-06 3.445588e-03 5.348459e-04 0.000485 0.000060 True native_MD 7 252 300 CB_AB42_28 O_AB42_34 1 8.098574e-04 1.379657e-06 ; 3.455894e-01 1.188464e-01 2.092620e-03 7.349520e-04 0.000485 0.001191 True native_MD 7 252 301 - CB_AB42_28 N_AB42_35 1 0.000000e+00 3.673786e-06 ; 3.139939e-01 -3.673786e-06 7.334534e-04 1.089494e-04 0.000485 0.000060 True native_MD 7 252 302 + CB_AB42_28 N_AB42_35 1 0.000000e+00 3.673738e-06 ; 3.139935e-01 -3.673738e-06 7.334534e-04 1.089494e-04 0.000485 0.000060 True native_MD 7 252 302 CB_AB42_28 CA_AB42_35 1 2.308441e-03 1.174239e-05 ; 4.147053e-01 1.134543e-01 3.649899e-03 2.092491e-03 0.000485 0.001021 True native_MD 7 252 304 CB_AB42_28 CB_AB42_35 1 1.956721e-03 8.076100e-06 ; 4.005089e-01 1.185212e-01 3.630696e-03 2.085243e-03 0.000485 0.001190 True native_MD 7 252 305 CB_AB42_28 CG_AB42_35 1 1.940920e-03 7.473168e-06 ; 3.958976e-01 1.260233e-01 7.554979e-03 3.466559e-03 0.000485 0.001190 True native_MD 7 252 306 - CB_AB42_28 SD_AB42_35 1 0.000000e+00 6.440765e-06 ; 3.290332e-01 -6.440765e-06 1.059779e-02 3.763511e-03 0.000485 0.000060 True native_MD 7 252 307 + CB_AB42_28 SD_AB42_35 1 0.000000e+00 6.440754e-06 ; 3.290332e-01 -6.440754e-06 1.059779e-02 3.763511e-03 0.000485 0.000060 True native_MD 7 252 307 CB_AB42_28 CE_AB42_35 1 1.469644e-03 3.593371e-06 ; 3.670414e-01 1.502664e-01 1.321879e-02 5.752686e-03 0.000485 0.002332 True native_MD 7 252 308 - CB_AB42_28 C_AB42_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 252 309 + CB_AB42_28 C_AB42_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 252 309 CB_AB42_28 O_AB42_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 2.616085e-04 8.423453e-04 0.000485 0.001191 True native_MD 7 252 310 - CB_AB42_28 N_AB42_36 1 0.000000e+00 3.675315e-06 ; 3.140047e-01 -3.675315e-06 5.020263e-04 2.935451e-04 0.000485 0.000060 True native_MD 7 252 311 + CB_AB42_28 N_AB42_36 1 0.000000e+00 3.675267e-06 ; 3.140044e-01 -3.675267e-06 5.020263e-04 2.935451e-04 0.000485 0.000060 True native_MD 7 252 311 CB_AB42_28 CA_AB42_36 1 8.477329e-03 1.068043e-04 ; 4.823789e-01 1.682168e-01 1.360311e-02 1.514580e-03 0.000485 0.001021 True native_MD 7 252 313 CB_AB42_28 CB_AB42_36 1 4.880314e-03 2.997986e-05 ; 4.279539e-01 1.986122e-01 8.876319e-02 3.979677e-03 0.000485 0.001021 True native_MD 7 252 314 CB_AB42_28 CG1_AB42_36 1 3.303042e-03 1.288872e-05 ; 3.967796e-01 2.116208e-01 4.712017e-02 3.269515e-03 0.000485 0.002332 True native_MD 7 252 315 CB_AB42_28 CG2_AB42_36 1 1.996875e-03 4.309889e-06 ; 3.594892e-01 2.313000e-01 8.643021e-02 3.327958e-03 0.000485 0.002332 True native_MD 7 252 316 - CB_AB42_28 C_AB42_36 1 0.000000e+00 6.327576e-06 ; 3.285475e-01 -6.327576e-06 1.665330e-03 6.573357e-04 0.000485 0.000060 True native_MD 7 252 317 + CB_AB42_28 C_AB42_36 1 0.000000e+00 6.327470e-06 ; 3.285470e-01 -6.327470e-06 1.665330e-03 6.573357e-04 0.000485 0.000060 True native_MD 7 252 317 CB_AB42_28 O_AB42_36 1 8.445672e-04 1.341671e-06 ; 3.415875e-01 1.329115e-01 3.187788e-03 6.420808e-04 0.000485 0.001191 True native_MD 7 252 318 - CB_AB42_28 N_AB42_37 1 0.000000e+00 3.673075e-06 ; 3.139888e-01 -3.673075e-06 1.088374e-03 2.705433e-04 0.000485 0.000060 True native_MD 7 252 319 + CB_AB42_28 N_AB42_37 1 0.000000e+00 3.673027e-06 ; 3.139885e-01 -3.673027e-06 1.088374e-03 2.705433e-04 0.000485 0.000060 True native_MD 7 252 319 CB_AB42_28 CA_AB42_37 1 1.824619e-03 6.252631e-06 ; 3.882831e-01 1.331133e-01 5.436183e-03 2.017495e-03 0.000485 0.001190 True native_MD 7 252 321 - CB_AB42_28 C_AB42_37 1 0.000000e+00 6.321571e-06 ; 3.285215e-01 -6.321571e-06 2.736616e-03 7.805018e-04 0.000485 0.000060 True native_MD 7 252 322 + CB_AB42_28 C_AB42_37 1 0.000000e+00 6.321465e-06 ; 3.285210e-01 -6.321465e-06 2.736616e-03 7.805018e-04 0.000485 0.000060 True native_MD 7 252 322 CB_AB42_28 O_AB42_37 1 5.512194e-04 5.462563e-07 ; 3.157514e-01 1.390569e-01 3.831418e-03 8.360432e-04 0.000485 0.001191 True native_MD 7 252 323 - CB_AB42_28 N_AB42_38 1 0.000000e+00 3.672836e-06 ; 3.139871e-01 -3.672836e-06 1.032248e-03 1.492614e-04 0.000485 0.000060 True native_MD 7 252 324 + CB_AB42_28 N_AB42_38 1 0.000000e+00 3.672787e-06 ; 3.139867e-01 -3.672787e-06 1.032248e-03 1.492614e-04 0.000485 0.000060 True native_MD 7 252 324 CB_AB42_28 CA_AB42_38 1 2.642207e-03 1.272166e-05 ; 4.109253e-01 1.371923e-01 4.968750e-03 1.632119e-03 0.000485 0.001190 True native_MD 7 252 326 - CB_AB42_28 C_AB42_38 1 0.000000e+00 6.316000e-06 ; 3.284973e-01 -6.316000e-06 3.375448e-03 5.398150e-04 0.000485 0.000060 True native_MD 7 252 327 + CB_AB42_28 C_AB42_38 1 0.000000e+00 6.315894e-06 ; 3.284969e-01 -6.315894e-06 3.375448e-03 5.398150e-04 0.000485 0.000060 True native_MD 7 252 327 CB_AB42_28 O_AB42_38 1 6.143955e-04 7.844224e-07 ; 3.293697e-01 1.203057e-01 2.186030e-03 5.442936e-04 0.000485 0.001191 True native_MD 7 252 328 CB_AB42_28 N_AB42_39 1 1.842239e-03 9.243407e-06 ; 4.137592e-01 9.179100e-02 2.263873e-03 1.451694e-04 0.000485 0.000060 True native_MD 7 252 329 CB_AB42_28 CA_AB42_39 1 6.996506e-03 7.007090e-05 ; 4.642758e-01 1.746485e-01 1.111556e-02 8.313139e-04 0.000485 0.001021 True native_MD 7 252 331 @@ -46542,27 +46542,27 @@ ND2_AB42_27 O2_AB42_42 1 1.206374e-04 3.081594e-08 ; 2.518927e-01 1.180670 CB_AB42_28 C_AB42_42 1 1.510781e-03 6.825805e-06 ; 4.065919e-01 8.359667e-02 9.081397e-03 7.441744e-04 0.000485 0.000060 True native_MD 7 252 358 CB_AB42_28 O1_AB42_42 1 6.745757e-04 1.497945e-06 ; 3.611971e-01 7.594609e-02 3.605145e-03 3.714298e-04 0.000485 0.000060 True native_MD 7 252 359 CB_AB42_28 O2_AB42_42 1 6.745757e-04 1.497945e-06 ; 3.611971e-01 7.594609e-02 3.605145e-03 3.714298e-04 0.000485 0.000060 True native_MD 7 252 360 - CG_AB42_28 NZ_AB42_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 253 256 - CG_AB42_28 C_AB42_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 253 257 - CG_AB42_28 O_AB42_28 1 0.000000e+00 2.015193e-06 ; 2.986676e-01 -2.015193e-06 9.626219e-01 9.623922e-01 0.000485 0.000060 True native_MD 4 253 258 - CG_AB42_28 N_AB42_29 1 0.000000e+00 3.695716e-06 ; 3.141496e-01 -3.695716e-06 9.751360e-01 9.804772e-01 0.000485 0.000060 True native_MD 4 253 259 - CG_AB42_28 CA_AB42_29 1 0.000000e+00 1.484113e-05 ; 3.527366e-01 -1.484113e-05 4.183516e-01 3.796329e-01 0.000485 0.000060 True native_MD 5 253 261 - CG_AB42_28 C_AB42_29 1 0.000000e+00 6.194995e-06 ; 3.279682e-01 -6.194995e-06 1.143593e-01 9.241949e-02 0.000485 0.000060 True native_MD 6 253 262 + CG_AB42_28 NZ_AB42_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 253 256 + CG_AB42_28 C_AB42_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 253 257 + CG_AB42_28 O_AB42_28 1 0.000000e+00 2.015186e-06 ; 2.986675e-01 -2.015186e-06 9.626219e-01 9.623922e-01 0.000485 0.000060 True native_MD 4 253 258 + CG_AB42_28 N_AB42_29 1 0.000000e+00 3.695668e-06 ; 3.141493e-01 -3.695668e-06 9.751360e-01 9.804772e-01 0.000485 0.000060 True native_MD 4 253 259 + CG_AB42_28 CA_AB42_29 1 0.000000e+00 1.484089e-05 ; 3.527362e-01 -1.484089e-05 4.183516e-01 3.796329e-01 0.000485 0.000060 True native_MD 5 253 261 + CG_AB42_28 C_AB42_29 1 0.000000e+00 6.194891e-06 ; 3.279678e-01 -6.194891e-06 1.143593e-01 9.241949e-02 0.000485 0.000060 True native_MD 6 253 262 CG_AB42_28 O_AB42_29 1 7.174550e-04 9.334280e-07 ; 3.304058e-01 1.378632e-01 8.516524e-02 2.742624e-02 0.000485 0.001191 True native_MD 7 253 263 - CG_AB42_28 N_AB42_30 1 0.000000e+00 3.879470e-06 ; 3.154225e-01 -3.879470e-06 3.835777e-02 9.368526e-02 0.000485 0.000060 True native_MD 7 253 264 - CG_AB42_28 CA_AB42_30 1 0.000000e+00 3.421530e-05 ; 3.781639e-01 -3.421530e-05 5.218903e-02 1.276801e-01 0.000485 0.001021 True native_MD 7 253 266 + CG_AB42_28 N_AB42_30 1 0.000000e+00 3.879419e-06 ; 3.154222e-01 -3.879419e-06 3.835777e-02 9.368526e-02 0.000485 0.000060 True native_MD 7 253 264 + CG_AB42_28 CA_AB42_30 1 0.000000e+00 3.421515e-05 ; 3.781637e-01 -3.421515e-05 5.218903e-02 1.276801e-01 0.000485 0.001021 True native_MD 7 253 266 CG_AB42_28 CB_AB42_30 1 9.995132e-04 2.871769e-06 ; 3.770453e-01 8.696963e-02 4.065156e-02 1.175990e-01 0.000485 0.002332 True native_MD 7 253 267 - CG_AB42_28 C_AB42_30 1 0.000000e+00 6.311126e-06 ; 3.284762e-01 -6.311126e-06 2.397299e-02 2.036777e-02 0.000485 0.000060 True native_MD 7 253 268 + CG_AB42_28 C_AB42_30 1 0.000000e+00 6.311020e-06 ; 3.284757e-01 -6.311020e-06 2.397299e-02 2.036777e-02 0.000485 0.000060 True native_MD 7 253 268 CG_AB42_28 O_AB42_30 1 4.031853e-04 3.537679e-07 ; 3.094109e-01 1.148765e-01 2.722086e-02 1.744044e-02 0.000485 0.001191 True native_MD 7 253 269 - CG_AB42_28 N_AB42_31 1 0.000000e+00 3.686020e-06 ; 3.140809e-01 -3.686020e-06 7.951692e-03 1.065513e-02 0.000485 0.000060 True native_MD 7 253 270 + CG_AB42_28 N_AB42_31 1 0.000000e+00 3.685971e-06 ; 3.140805e-01 -3.685971e-06 7.951692e-03 1.065513e-02 0.000485 0.000060 True native_MD 7 253 270 CG_AB42_28 CA_AB42_31 1 3.199357e-03 2.642567e-05 ; 4.496009e-01 9.683657e-02 2.576273e-02 2.428568e-02 0.000485 0.001021 True native_MD 7 253 272 CG_AB42_28 CB_AB42_31 1 3.004689e-03 2.263180e-05 ; 4.427446e-01 9.972865e-02 5.320713e-02 4.599820e-02 0.000485 0.001021 True native_MD 7 253 273 CG_AB42_28 CG1_AB42_31 1 1.683142e-03 6.699341e-06 ; 3.980936e-01 1.057181e-01 7.044375e-02 5.934819e-02 0.000485 0.001190 True native_MD 7 253 274 CG_AB42_28 CG2_AB42_31 1 1.575182e-03 5.089920e-06 ; 3.845003e-01 1.218683e-01 2.876496e-02 2.928357e-02 0.000485 0.002332 True native_MD 7 253 275 CG_AB42_28 CD_AB42_31 1 1.503526e-03 4.392283e-06 ; 3.780912e-01 1.286684e-01 7.384491e-02 6.133417e-02 0.000485 0.002332 True native_MD 7 253 276 - CG_AB42_28 C_AB42_31 1 0.000000e+00 6.351378e-06 ; 3.286503e-01 -6.351378e-06 1.337001e-03 4.086750e-03 0.000485 0.000060 True native_MD 7 253 277 - CG_AB42_28 O_AB42_31 1 0.000000e+00 2.030101e-06 ; 2.988511e-01 -2.030101e-06 1.330850e-03 8.496987e-03 0.000485 0.001191 True native_MD 7 253 278 - CG_AB42_28 N_AB42_32 1 0.000000e+00 3.670882e-06 ; 3.139732e-01 -3.670882e-06 2.060582e-03 6.462199e-04 0.000485 0.000060 True native_MD 7 253 279 + CG_AB42_28 C_AB42_31 1 0.000000e+00 6.351271e-06 ; 3.286498e-01 -6.351271e-06 1.337001e-03 4.086750e-03 0.000485 0.000060 True native_MD 7 253 277 + CG_AB42_28 O_AB42_31 1 0.000000e+00 2.030093e-06 ; 2.988510e-01 -2.030093e-06 1.330850e-03 8.496987e-03 0.000485 0.001191 True native_MD 7 253 278 + CG_AB42_28 N_AB42_32 1 0.000000e+00 3.670834e-06 ; 3.139728e-01 -3.670834e-06 2.060582e-03 6.462199e-04 0.000485 0.000060 True native_MD 7 253 279 CG_AB42_28 CA_AB42_32 1 8.978320e-03 1.218680e-04 ; 4.884076e-01 1.653639e-01 7.860151e-02 9.531541e-03 0.000485 0.001021 True native_MD 7 253 281 CG_AB42_28 CB_AB42_32 1 3.698184e-03 1.907036e-05 ; 4.156506e-01 1.792909e-01 1.652136e-01 1.320605e-02 0.000485 0.001021 True native_MD 7 253 282 CG_AB42_28 CG1_AB42_32 1 3.046248e-03 1.344455e-05 ; 4.050079e-01 1.725537e-01 1.307481e-01 1.490596e-02 0.000485 0.001190 True native_MD 7 253 283 @@ -46582,28 +46582,28 @@ ND2_AB42_27 O2_AB42_42 1 1.206374e-04 3.081594e-08 ; 2.518927e-01 1.180670 CG_AB42_28 CD2_AB42_34 1 1.493907e-03 3.621634e-06 ; 3.665193e-01 1.540574e-01 1.973752e-02 7.668353e-03 0.000485 0.002332 True native_MD 7 253 299 CG_AB42_28 C_AB42_34 1 8.218284e-04 2.279015e-06 ; 3.748243e-01 7.408922e-02 2.707478e-03 2.948846e-04 0.000485 0.000060 True native_MD 7 253 300 CG_AB42_28 O_AB42_34 1 4.097991e-04 3.664648e-07 ; 3.103918e-01 1.145644e-01 1.840936e-03 5.751531e-04 0.000485 0.001191 True native_MD 7 253 301 - CG_AB42_28 N_AB42_35 1 0.000000e+00 3.672703e-06 ; 3.139861e-01 -3.672703e-06 1.079598e-03 1.603679e-04 0.000485 0.000060 True native_MD 7 253 302 + CG_AB42_28 N_AB42_35 1 0.000000e+00 3.672654e-06 ; 3.139858e-01 -3.672654e-06 1.079598e-03 1.603679e-04 0.000485 0.000060 True native_MD 7 253 302 CG_AB42_28 CA_AB42_35 1 2.482859e-03 1.359262e-05 ; 4.198155e-01 1.133812e-01 2.922336e-03 1.679050e-03 0.000485 0.001021 True native_MD 7 253 304 CG_AB42_28 CB_AB42_35 1 2.088575e-03 8.928300e-06 ; 4.028591e-01 1.221437e-01 3.553788e-03 1.831376e-03 0.000485 0.001190 True native_MD 7 253 305 CG_AB42_28 CG_AB42_35 1 1.729895e-03 5.919385e-06 ; 3.881886e-01 1.263871e-01 6.828559e-03 3.099310e-03 0.000485 0.001190 True native_MD 7 253 306 - CG_AB42_28 SD_AB42_35 1 0.000000e+00 6.432614e-06 ; 3.289985e-01 -6.432614e-06 1.122881e-02 3.137716e-03 0.000485 0.000060 True native_MD 7 253 307 + CG_AB42_28 SD_AB42_35 1 0.000000e+00 6.432604e-06 ; 3.289985e-01 -6.432604e-06 1.122881e-02 3.137716e-03 0.000485 0.000060 True native_MD 7 253 307 CG_AB42_28 CE_AB42_35 1 1.400952e-03 3.186437e-06 ; 3.626439e-01 1.539859e-01 1.379028e-02 5.369220e-03 0.000485 0.002332 True native_MD 7 253 308 - CG_AB42_28 C_AB42_35 1 0.000000e+00 6.333929e-06 ; 3.285749e-01 -6.333929e-06 6.229694e-04 6.178640e-04 0.000485 0.000060 True native_MD 7 253 309 + CG_AB42_28 C_AB42_35 1 0.000000e+00 6.333822e-06 ; 3.285745e-01 -6.333822e-06 6.229694e-04 6.178640e-04 0.000485 0.000060 True native_MD 7 253 309 CG_AB42_28 O_AB42_35 1 5.750186e-04 1.020513e-06 ; 3.479547e-01 8.100005e-02 6.742394e-04 9.205682e-04 0.000485 0.001191 True native_MD 7 253 310 - CG_AB42_28 N_AB42_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 253 311 + CG_AB42_28 N_AB42_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 253 311 CG_AB42_28 CA_AB42_36 1 1.117166e-02 1.671577e-04 ; 4.964034e-01 1.866591e-01 1.950331e-02 1.250470e-03 0.000485 0.001021 True native_MD 7 253 313 CG_AB42_28 CB_AB42_36 1 4.301753e-03 2.298804e-05 ; 4.181282e-01 2.012468e-01 9.940925e-02 4.119084e-03 0.000485 0.001021 True native_MD 7 253 314 CG_AB42_28 CG1_AB42_36 1 2.759001e-03 8.465997e-06 ; 3.812013e-01 2.247841e-01 7.524195e-02 3.520936e-03 0.000485 0.002332 True native_MD 7 253 315 CG_AB42_28 CG2_AB42_36 1 1.832464e-03 3.645873e-06 ; 3.546454e-01 2.302553e-01 9.425810e-02 3.744634e-03 0.000485 0.002332 True native_MD 7 253 316 CG_AB42_28 C_AB42_36 1 1.786825e-03 1.053242e-05 ; 4.250184e-01 7.578368e-02 5.242688e-03 5.427737e-04 0.000485 0.000060 True native_MD 7 253 317 CG_AB42_28 O_AB42_36 1 9.013897e-04 1.232533e-06 ; 3.331560e-01 1.648035e-01 8.279042e-03 6.112913e-04 0.000485 0.001191 True native_MD 7 253 318 - CG_AB42_28 N_AB42_37 1 0.000000e+00 3.673481e-06 ; 3.139917e-01 -3.673481e-06 1.105661e-03 3.980805e-04 0.000485 0.000060 True native_MD 7 253 319 + CG_AB42_28 N_AB42_37 1 0.000000e+00 3.673432e-06 ; 3.139913e-01 -3.673432e-06 1.105661e-03 3.980805e-04 0.000485 0.000060 True native_MD 7 253 319 CG_AB42_28 CA_AB42_37 1 2.788345e-03 1.347829e-05 ; 4.111952e-01 1.442110e-01 8.213956e-03 2.186944e-03 0.000485 0.001190 True native_MD 7 253 321 - CG_AB42_28 C_AB42_37 1 0.000000e+00 6.304675e-06 ; 3.284482e-01 -6.304675e-06 5.554642e-03 9.310218e-04 0.000485 0.000060 True native_MD 7 253 322 + CG_AB42_28 C_AB42_37 1 0.000000e+00 6.304569e-06 ; 3.284477e-01 -6.304569e-06 5.554642e-03 9.310218e-04 0.000485 0.000060 True native_MD 7 253 322 CG_AB42_28 O_AB42_37 1 5.336244e-04 4.454551e-07 ; 3.068514e-01 1.598113e-01 7.130127e-03 1.016737e-03 0.000485 0.001191 True native_MD 7 253 323 CG_AB42_28 N_AB42_38 1 1.408356e-03 5.895443e-06 ; 4.014523e-01 8.411021e-02 3.031379e-03 2.446177e-04 0.000485 0.000060 True native_MD 7 253 324 CG_AB42_28 CA_AB42_38 1 1.594334e-03 4.548091e-06 ; 3.765954e-01 1.397235e-01 6.344652e-03 1.932036e-03 0.000485 0.001190 True native_MD 7 253 326 - CG_AB42_28 C_AB42_38 1 0.000000e+00 6.304536e-06 ; 3.284476e-01 -6.304536e-06 5.451347e-03 8.057727e-04 0.000485 0.000060 True native_MD 7 253 327 + CG_AB42_28 C_AB42_38 1 0.000000e+00 6.304430e-06 ; 3.284471e-01 -6.304430e-06 5.451347e-03 8.057727e-04 0.000485 0.000060 True native_MD 7 253 327 CG_AB42_28 O_AB42_38 1 7.194175e-04 9.389835e-07 ; 3.305822e-01 1.377983e-01 3.689798e-03 7.138140e-04 0.000485 0.001191 True native_MD 7 253 328 CG_AB42_28 N_AB42_39 1 1.517997e-03 5.151258e-06 ; 3.876505e-01 1.118327e-01 3.392528e-03 1.194184e-04 0.000485 0.000060 True native_MD 7 253 329 CG_AB42_28 CA_AB42_39 1 4.874266e-03 3.365424e-05 ; 4.363702e-01 1.764894e-01 1.277753e-02 1.110667e-03 0.000485 0.001021 True native_MD 7 253 331 @@ -46633,27 +46633,27 @@ ND2_AB42_27 O2_AB42_42 1 1.206374e-04 3.081594e-08 ; 2.518927e-01 1.180670 CG_AB42_28 C_AB42_42 1 1.112802e-03 3.034956e-06 ; 3.737855e-01 1.020055e-01 1.894721e-02 8.949814e-04 0.000485 0.000060 True native_MD 7 253 358 CG_AB42_28 O1_AB42_42 1 3.775877e-04 3.790602e-07 ; 3.164330e-01 9.403022e-02 1.055483e-02 6.329536e-04 0.000485 0.000060 True native_MD 7 253 359 CG_AB42_28 O2_AB42_42 1 3.775877e-04 3.790602e-07 ; 3.164330e-01 9.403022e-02 1.055483e-02 6.329536e-04 0.000485 0.000060 True native_MD 7 253 360 - CD_AB42_28 NZ_AB42_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 256 - CD_AB42_28 C_AB42_28 1 0.000000e+00 6.288284e-06 ; 3.283770e-01 -6.288284e-06 9.977414e-01 9.905300e-01 0.000485 0.000060 True native_MD 4 254 257 - CD_AB42_28 O_AB42_28 1 0.000000e+00 2.095180e-06 ; 2.996379e-01 -2.095180e-06 2.249981e-01 2.644510e-01 0.000485 0.000060 True native_MD 5 254 258 - CD_AB42_28 N_AB42_29 1 0.000000e+00 3.402702e-06 ; 3.119945e-01 -3.402702e-06 2.457172e-01 1.713501e-01 0.000485 0.000060 True native_MD 5 254 259 - CD_AB42_28 CA_AB42_29 1 0.000000e+00 1.532923e-05 ; 3.536891e-01 -1.532923e-05 5.662919e-02 4.952549e-02 0.000485 0.000060 True native_MD 6 254 261 - CD_AB42_28 C_AB42_29 1 0.000000e+00 6.298610e-06 ; 3.284219e-01 -6.298610e-06 1.213996e-02 6.558755e-03 0.000485 0.000060 True native_MD 7 254 262 + CD_AB42_28 NZ_AB42_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 256 + CD_AB42_28 C_AB42_28 1 0.000000e+00 6.288179e-06 ; 3.283765e-01 -6.288179e-06 9.977414e-01 9.905300e-01 0.000485 0.000060 True native_MD 4 254 257 + CD_AB42_28 O_AB42_28 1 0.000000e+00 2.095172e-06 ; 2.996378e-01 -2.095172e-06 2.249981e-01 2.644510e-01 0.000485 0.000060 True native_MD 5 254 258 + CD_AB42_28 N_AB42_29 1 0.000000e+00 3.402657e-06 ; 3.119942e-01 -3.402657e-06 2.457172e-01 1.713501e-01 0.000485 0.000060 True native_MD 5 254 259 + CD_AB42_28 CA_AB42_29 1 0.000000e+00 1.532898e-05 ; 3.536886e-01 -1.532898e-05 5.662919e-02 4.952549e-02 0.000485 0.000060 True native_MD 6 254 261 + CD_AB42_28 C_AB42_29 1 0.000000e+00 6.298504e-06 ; 3.284214e-01 -6.298504e-06 1.213996e-02 6.558755e-03 0.000485 0.000060 True native_MD 7 254 262 CD_AB42_28 O_AB42_29 1 9.374374e-04 1.554233e-06 ; 3.440294e-01 1.413542e-01 3.627969e-02 1.052440e-02 0.000485 0.001191 True native_MD 7 254 263 - CD_AB42_28 N_AB42_30 1 0.000000e+00 3.756235e-06 ; 3.145751e-01 -3.756235e-06 1.450621e-02 3.631011e-02 0.000485 0.000060 True native_MD 7 254 264 - CD_AB42_28 CA_AB42_30 1 0.000000e+00 3.335374e-05 ; 3.773610e-01 -3.335374e-05 4.029428e-02 8.870375e-02 0.000485 0.001021 True native_MD 7 254 266 + CD_AB42_28 N_AB42_30 1 0.000000e+00 3.756185e-06 ; 3.145748e-01 -3.756185e-06 1.450621e-02 3.631011e-02 0.000485 0.000060 True native_MD 7 254 264 + CD_AB42_28 CA_AB42_30 1 0.000000e+00 3.335359e-05 ; 3.773609e-01 -3.335359e-05 4.029428e-02 8.870375e-02 0.000485 0.001021 True native_MD 7 254 266 CD_AB42_28 CB_AB42_30 1 1.076476e-03 3.448613e-06 ; 3.839488e-01 8.400482e-02 3.415461e-02 1.079713e-01 0.000485 0.002332 True native_MD 7 254 267 - CD_AB42_28 C_AB42_30 1 0.000000e+00 6.297050e-06 ; 3.284151e-01 -6.297050e-06 1.910092e-02 1.327350e-02 0.000485 0.000060 True native_MD 7 254 268 + CD_AB42_28 C_AB42_30 1 0.000000e+00 6.296945e-06 ; 3.284146e-01 -6.296945e-06 1.910092e-02 1.327350e-02 0.000485 0.000060 True native_MD 7 254 268 CD_AB42_28 O_AB42_30 1 5.119892e-04 5.854421e-07 ; 3.233731e-01 1.119380e-01 2.361495e-02 1.652084e-02 0.000485 0.001191 True native_MD 7 254 269 - CD_AB42_28 N_AB42_31 1 0.000000e+00 3.683867e-06 ; 3.140656e-01 -3.683867e-06 3.736156e-03 5.854095e-03 0.000485 0.000060 True native_MD 7 254 270 + CD_AB42_28 N_AB42_31 1 0.000000e+00 3.683819e-06 ; 3.140652e-01 -3.683819e-06 3.736156e-03 5.854095e-03 0.000485 0.000060 True native_MD 7 254 270 CD_AB42_28 CA_AB42_31 1 2.582548e-03 1.870422e-05 ; 4.398608e-01 8.914501e-02 1.970763e-02 2.338608e-02 0.000485 0.001021 True native_MD 7 254 272 CD_AB42_28 CB_AB42_31 1 2.872338e-03 2.239843e-05 ; 4.453113e-01 9.208597e-02 3.870140e-02 4.205592e-02 0.000485 0.001021 True native_MD 7 254 273 CD_AB42_28 CG1_AB42_31 1 1.620622e-03 6.634890e-06 ; 3.999681e-01 9.896227e-02 4.870578e-02 5.022829e-02 0.000485 0.001190 True native_MD 7 254 274 CD_AB42_28 CG2_AB42_31 1 1.534640e-03 5.088041e-06 ; 3.861511e-01 1.157185e-01 2.325008e-02 2.845192e-02 0.000485 0.002332 True native_MD 7 254 275 CD_AB42_28 CD_AB42_31 1 1.268124e-03 3.253144e-06 ; 3.699902e-01 1.235834e-01 5.680202e-02 5.493302e-02 0.000485 0.002332 True native_MD 7 254 276 - CD_AB42_28 C_AB42_31 1 0.000000e+00 6.347255e-06 ; 3.286325e-01 -6.347255e-06 2.385242e-03 4.484076e-03 0.000485 0.000060 True native_MD 7 254 277 - CD_AB42_28 O_AB42_31 1 0.000000e+00 2.026814e-06 ; 2.988107e-01 -2.026814e-06 1.441338e-03 6.976924e-03 0.000485 0.001191 True native_MD 7 254 278 - CD_AB42_28 N_AB42_32 1 0.000000e+00 3.673469e-06 ; 3.139916e-01 -3.673469e-06 2.104579e-03 1.393978e-03 0.000485 0.000060 True native_MD 7 254 279 + CD_AB42_28 C_AB42_31 1 0.000000e+00 6.347148e-06 ; 3.286320e-01 -6.347148e-06 2.385242e-03 4.484076e-03 0.000485 0.000060 True native_MD 7 254 277 + CD_AB42_28 O_AB42_31 1 0.000000e+00 2.026807e-06 ; 2.988106e-01 -2.026807e-06 1.441338e-03 6.976924e-03 0.000485 0.001191 True native_MD 7 254 278 + CD_AB42_28 N_AB42_32 1 0.000000e+00 3.673421e-06 ; 3.139913e-01 -3.673421e-06 2.104579e-03 1.393978e-03 0.000485 0.000060 True native_MD 7 254 279 CD_AB42_28 CA_AB42_32 1 8.157088e-03 1.051183e-04 ; 4.841990e-01 1.582457e-01 8.203510e-02 1.230962e-02 0.000485 0.001021 True native_MD 7 254 281 CD_AB42_28 CB_AB42_32 1 3.476104e-03 1.768014e-05 ; 4.146982e-01 1.708598e-01 1.567937e-01 1.612993e-02 0.000485 0.001021 True native_MD 7 254 282 CD_AB42_28 CG1_AB42_32 1 2.003747e-03 5.892592e-06 ; 3.785099e-01 1.703411e-01 1.290674e-01 1.572164e-02 0.000485 0.001190 True native_MD 7 254 283 @@ -46671,30 +46671,30 @@ ND2_AB42_27 O2_AB42_42 1 1.206374e-04 3.081594e-08 ; 2.518927e-01 1.180670 CD_AB42_28 CG_AB42_34 1 2.714715e-03 1.520350e-05 ; 4.214085e-01 1.211839e-01 2.547749e-02 1.158995e-02 0.000485 0.001021 True native_MD 7 254 297 CD_AB42_28 CD1_AB42_34 1 1.533884e-03 4.149808e-06 ; 3.732839e-01 1.417415e-01 2.019845e-02 1.134469e-02 0.000485 0.002332 True native_MD 7 254 298 CD_AB42_28 CD2_AB42_34 1 1.234788e-03 2.623686e-06 ; 3.585529e-01 1.452825e-01 2.073388e-02 1.047452e-02 0.000485 0.002332 True native_MD 7 254 299 - CD_AB42_28 C_AB42_34 1 0.000000e+00 6.312741e-06 ; 3.284832e-01 -6.312741e-06 4.192906e-03 8.427739e-04 0.000485 0.000060 True native_MD 7 254 300 + CD_AB42_28 C_AB42_34 1 0.000000e+00 6.312635e-06 ; 3.284827e-01 -6.312635e-06 4.192906e-03 8.427739e-04 0.000485 0.000060 True native_MD 7 254 300 CD_AB42_28 O_AB42_34 1 7.448809e-04 1.006122e-06 ; 3.324763e-01 1.378678e-01 3.797456e-03 1.222749e-03 0.000485 0.001191 True native_MD 7 254 301 - CD_AB42_28 N_AB42_35 1 0.000000e+00 3.674294e-06 ; 3.139975e-01 -3.674294e-06 6.873704e-04 2.010241e-04 0.000485 0.000060 True native_MD 7 254 302 + CD_AB42_28 N_AB42_35 1 0.000000e+00 3.674245e-06 ; 3.139971e-01 -3.674245e-06 6.873704e-04 2.010241e-04 0.000485 0.000060 True native_MD 7 254 302 CD_AB42_28 CA_AB42_35 1 2.323826e-03 1.359370e-05 ; 4.244785e-01 9.931377e-02 3.266696e-03 2.859380e-03 0.000485 0.001021 True native_MD 7 254 304 CD_AB42_28 CB_AB42_35 1 2.346167e-03 1.340554e-05 ; 4.228187e-01 1.026534e-01 3.015713e-03 2.784744e-03 0.000485 0.001190 True native_MD 7 254 305 CD_AB42_28 CG_AB42_35 1 2.002756e-03 8.570192e-06 ; 4.029277e-01 1.170053e-01 5.881284e-03 3.534601e-03 0.000485 0.001190 True native_MD 7 254 306 - CD_AB42_28 SD_AB42_35 1 0.000000e+00 6.440864e-06 ; 3.290337e-01 -6.440864e-06 1.073682e-02 3.917818e-03 0.000485 0.000060 True native_MD 7 254 307 + CD_AB42_28 SD_AB42_35 1 0.000000e+00 6.440853e-06 ; 3.290336e-01 -6.440853e-06 1.073682e-02 3.917818e-03 0.000485 0.000060 True native_MD 7 254 307 CD_AB42_28 CE_AB42_35 1 1.270666e-03 2.722863e-06 ; 3.590589e-01 1.482441e-01 1.446091e-02 6.685883e-03 0.000485 0.002332 True native_MD 7 254 308 - CD_AB42_28 C_AB42_35 1 0.000000e+00 6.332415e-06 ; 3.285684e-01 -6.332415e-06 1.019268e-03 7.751325e-04 0.000485 0.000060 True native_MD 7 254 309 + CD_AB42_28 C_AB42_35 1 0.000000e+00 6.332308e-06 ; 3.285679e-01 -6.332308e-06 1.019268e-03 7.751325e-04 0.000485 0.000060 True native_MD 7 254 309 CD_AB42_28 O_AB42_35 1 4.107774e-04 4.488853e-07 ; 3.209382e-01 9.397616e-02 9.941691e-04 1.078776e-03 0.000485 0.001191 True native_MD 7 254 310 - CD_AB42_28 N_AB42_36 1 0.000000e+00 3.674162e-06 ; 3.139965e-01 -3.674162e-06 7.258066e-04 2.035331e-04 0.000485 0.000060 True native_MD 7 254 311 + CD_AB42_28 N_AB42_36 1 0.000000e+00 3.674113e-06 ; 3.139962e-01 -3.674113e-06 7.258066e-04 2.035331e-04 0.000485 0.000060 True native_MD 7 254 311 CD_AB42_28 CA_AB42_36 1 7.770359e-03 8.455103e-05 ; 4.707384e-01 1.785267e-01 3.198926e-02 2.616151e-03 0.000485 0.001021 True native_MD 7 254 313 CD_AB42_28 CB_AB42_36 1 3.606427e-03 1.710358e-05 ; 4.098909e-01 1.901111e-01 9.248207e-02 5.347594e-03 0.000485 0.001021 True native_MD 7 254 314 CD_AB42_28 CG1_AB42_36 1 2.373370e-03 6.514774e-06 ; 3.741873e-01 2.161580e-01 8.013491e-02 4.854333e-03 0.000485 0.002332 True native_MD 7 254 315 CD_AB42_28 CG2_AB42_36 1 2.040626e-03 4.666391e-06 ; 3.629691e-01 2.230929e-01 9.238512e-02 4.547571e-03 0.000485 0.002332 True native_MD 7 254 316 CD_AB42_28 C_AB42_36 1 1.329368e-03 4.719651e-06 ; 3.905807e-01 9.360967e-02 1.416653e-02 8.602999e-04 0.000485 0.000060 True native_MD 7 254 317 CD_AB42_28 O_AB42_36 1 6.858777e-04 6.184796e-07 ; 3.108230e-01 1.901551e-01 1.767933e-02 1.128905e-03 0.000485 0.001191 True native_MD 7 254 318 - CD_AB42_28 N_AB42_37 1 0.000000e+00 3.660915e-06 ; 3.139020e-01 -3.660915e-06 4.816422e-03 6.906742e-04 0.000485 0.000060 True native_MD 7 254 319 + CD_AB42_28 N_AB42_37 1 0.000000e+00 3.660867e-06 ; 3.139017e-01 -3.660867e-06 4.816422e-03 6.906742e-04 0.000485 0.000060 True native_MD 7 254 319 CD_AB42_28 CA_AB42_37 1 2.208167e-03 7.917973e-06 ; 3.912284e-01 1.539536e-01 1.509547e-02 3.002688e-03 0.000485 0.001190 True native_MD 7 254 321 CD_AB42_28 C_AB42_37 1 1.255563e-03 5.329047e-06 ; 4.023789e-01 7.395503e-02 1.334977e-02 1.459839e-03 0.000485 0.000060 True native_MD 7 254 322 CD_AB42_28 O_AB42_37 1 5.206103e-04 3.829895e-07 ; 3.004547e-01 1.769207e-01 1.525613e-02 1.526620e-03 0.000485 0.001191 True native_MD 7 254 323 CD_AB42_28 N_AB42_38 1 1.038931e-03 3.652868e-06 ; 3.899490e-01 7.387197e-02 2.883192e-03 3.160707e-04 0.000485 0.000060 True native_MD 7 254 324 CD_AB42_28 CA_AB42_38 1 2.838283e-03 1.352501e-05 ; 4.102170e-01 1.489065e-01 1.040568e-02 2.407295e-03 0.000485 0.001190 True native_MD 7 254 326 - CD_AB42_28 C_AB42_38 1 0.000000e+00 6.282500e-06 ; 3.283518e-01 -6.282500e-06 9.346951e-03 1.222386e-03 0.000485 0.000060 True native_MD 7 254 327 + CD_AB42_28 C_AB42_38 1 0.000000e+00 6.282395e-06 ; 3.283513e-01 -6.282395e-06 9.346951e-03 1.222386e-03 0.000485 0.000060 True native_MD 7 254 327 CD_AB42_28 O_AB42_38 1 6.186546e-04 5.716151e-07 ; 3.120872e-01 1.673913e-01 8.945647e-03 1.088302e-03 0.000485 0.001191 True native_MD 7 254 328 CD_AB42_28 N_AB42_39 1 1.103501e-03 3.629943e-06 ; 3.856451e-01 8.386599e-02 2.485683e-03 2.020540e-04 0.000485 0.000060 True native_MD 7 254 329 CD_AB42_28 CA_AB42_39 1 3.921699e-03 2.302180e-05 ; 4.247279e-01 1.670126e-01 1.638493e-02 1.891248e-03 0.000485 0.001021 True native_MD 7 254 331 @@ -46724,55 +46724,55 @@ ND2_AB42_27 O2_AB42_42 1 1.206374e-04 3.081594e-08 ; 2.518927e-01 1.180670 CD_AB42_28 C_AB42_42 1 1.042194e-03 2.175106e-06 ; 3.574829e-01 1.248409e-01 4.211277e-02 1.004380e-03 0.000485 0.000060 True native_MD 7 254 358 CD_AB42_28 O1_AB42_42 1 3.763759e-04 2.834992e-07 ; 3.016396e-01 1.249199e-01 3.089172e-02 7.350209e-04 0.000485 0.000060 True native_MD 7 254 359 CD_AB42_28 O2_AB42_42 1 3.763759e-04 2.834992e-07 ; 3.016396e-01 1.249199e-01 3.089172e-02 7.350209e-04 0.000485 0.000060 True native_MD 7 254 360 - CE_AB42_28 NZ_AB42_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 255 256 - CE_AB42_28 C_AB42_28 1 0.000000e+00 7.179601e-06 ; 3.320244e-01 -7.179601e-06 1.561215e-01 2.896303e-01 0.000485 0.000060 True native_MD 5 255 257 - CE_AB42_28 O_AB42_28 1 0.000000e+00 2.076343e-06 ; 2.994125e-01 -2.076343e-06 2.541099e-02 5.551863e-02 0.000485 0.000060 True native_MD 6 255 258 - CE_AB42_28 N_AB42_29 1 0.000000e+00 3.699703e-06 ; 3.141779e-01 -3.699703e-06 2.246211e-02 2.888771e-02 0.000485 0.000060 True native_MD 6 255 259 + CE_AB42_28 NZ_AB42_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 255 256 + CE_AB42_28 C_AB42_28 1 0.000000e+00 7.179480e-06 ; 3.320240e-01 -7.179480e-06 1.561215e-01 2.896303e-01 0.000485 0.000060 True native_MD 5 255 257 + CE_AB42_28 O_AB42_28 1 0.000000e+00 2.076335e-06 ; 2.994124e-01 -2.076335e-06 2.541099e-02 5.551863e-02 0.000485 0.000060 True native_MD 6 255 258 + CE_AB42_28 N_AB42_29 1 0.000000e+00 3.699654e-06 ; 3.141775e-01 -3.699654e-06 2.246211e-02 2.888771e-02 0.000485 0.000060 True native_MD 6 255 259 CE_AB42_28 CA_AB42_29 1 3.800410e-03 3.669424e-05 ; 4.614535e-01 9.840178e-02 1.358837e-02 1.425016e-02 0.000485 0.001190 True native_MD 7 255 261 - CE_AB42_28 C_AB42_29 1 0.000000e+00 6.314414e-06 ; 3.284905e-01 -6.314414e-06 7.401111e-03 4.315024e-03 0.000485 0.000060 True native_MD 7 255 262 + CE_AB42_28 C_AB42_29 1 0.000000e+00 6.314308e-06 ; 3.284900e-01 -6.314308e-06 7.401111e-03 4.315024e-03 0.000485 0.000060 True native_MD 7 255 262 CE_AB42_28 O_AB42_29 1 7.053073e-04 9.662899e-07 ; 3.332638e-01 1.287032e-01 1.675045e-02 7.095460e-03 0.000485 0.001191 True native_MD 7 255 263 - CE_AB42_28 N_AB42_30 1 0.000000e+00 3.724894e-06 ; 3.143556e-01 -3.724894e-06 4.628498e-03 1.790680e-02 0.000485 0.000060 True native_MD 7 255 264 - CE_AB42_28 CA_AB42_30 1 0.000000e+00 3.315501e-05 ; 3.771731e-01 -3.315501e-05 2.841649e-02 7.057953e-02 0.000485 0.001021 True native_MD 7 255 266 + CE_AB42_28 N_AB42_30 1 0.000000e+00 3.724845e-06 ; 3.143552e-01 -3.724845e-06 4.628498e-03 1.790680e-02 0.000485 0.000060 True native_MD 7 255 264 + CE_AB42_28 CA_AB42_30 1 0.000000e+00 3.315487e-05 ; 3.771730e-01 -3.315487e-05 2.841649e-02 7.057953e-02 0.000485 0.001021 True native_MD 7 255 266 CE_AB42_28 CB_AB42_30 1 9.745848e-04 2.975617e-06 ; 3.808841e-01 7.979989e-02 2.472418e-02 8.864026e-02 0.000485 0.002332 True native_MD 7 255 267 - CE_AB42_28 C_AB42_30 1 0.000000e+00 6.317799e-06 ; 3.285051e-01 -6.317799e-06 1.453776e-02 1.198607e-02 0.000485 0.000060 True native_MD 7 255 268 + CE_AB42_28 C_AB42_30 1 0.000000e+00 6.317693e-06 ; 3.285047e-01 -6.317693e-06 1.453776e-02 1.198607e-02 0.000485 0.000060 True native_MD 7 255 268 CE_AB42_28 O_AB42_30 1 3.758759e-04 3.158263e-07 ; 3.071854e-01 1.118358e-01 1.698025e-02 1.191567e-02 0.000485 0.001191 True native_MD 7 255 269 - CE_AB42_28 N_AB42_31 1 0.000000e+00 3.683211e-06 ; 3.140609e-01 -3.683211e-06 2.548022e-03 4.487365e-03 0.000485 0.000060 True native_MD 7 255 270 + CE_AB42_28 N_AB42_31 1 0.000000e+00 3.683162e-06 ; 3.140606e-01 -3.683162e-06 2.548022e-03 4.487365e-03 0.000485 0.000060 True native_MD 7 255 270 CE_AB42_28 CA_AB42_31 1 2.613578e-03 1.882522e-05 ; 4.394581e-01 9.071326e-02 1.711528e-02 1.937872e-02 0.000485 0.001021 True native_MD 7 255 272 CE_AB42_28 CB_AB42_31 1 2.810712e-03 2.517427e-05 ; 4.557116e-01 7.845410e-02 1.993879e-02 3.258127e-02 0.000485 0.001021 True native_MD 7 255 273 CE_AB42_28 CG1_AB42_31 1 1.377199e-03 5.731782e-06 ; 4.010657e-01 8.272632e-02 2.318766e-02 3.887210e-02 0.000485 0.001190 True native_MD 7 255 274 CE_AB42_28 CG2_AB42_31 1 1.265918e-03 3.674219e-06 ; 3.776823e-01 1.090400e-01 1.566386e-02 2.340903e-02 0.000485 0.002332 True native_MD 7 255 275 CE_AB42_28 CD_AB42_31 1 1.394536e-03 4.212308e-06 ; 3.802026e-01 1.154195e-01 3.802091e-02 4.694571e-02 0.000485 0.002332 True native_MD 7 255 276 - CE_AB42_28 C_AB42_31 1 0.000000e+00 6.324361e-06 ; 3.285335e-01 -6.324361e-06 5.205068e-03 3.689479e-03 0.000485 0.000060 True native_MD 7 255 277 + CE_AB42_28 C_AB42_31 1 0.000000e+00 6.324255e-06 ; 3.285331e-01 -6.324255e-06 5.205068e-03 3.689479e-03 0.000485 0.000060 True native_MD 7 255 277 CE_AB42_28 O_AB42_31 1 2.224691e-04 1.694449e-07 ; 3.021991e-01 7.302151e-02 2.468348e-03 5.533969e-03 0.000485 0.001191 True native_MD 7 255 278 - CE_AB42_28 N_AB42_32 1 0.000000e+00 3.662956e-06 ; 3.139166e-01 -3.662956e-06 4.990982e-03 1.420298e-03 0.000485 0.000060 True native_MD 7 255 279 + CE_AB42_28 N_AB42_32 1 0.000000e+00 3.662907e-06 ; 3.139163e-01 -3.662907e-06 4.990982e-03 1.420298e-03 0.000485 0.000060 True native_MD 7 255 279 CE_AB42_28 CA_AB42_32 1 5.447680e-03 5.785213e-05 ; 4.688328e-01 1.282460e-01 3.046884e-02 1.122010e-02 0.000485 0.001021 True native_MD 7 255 281 CE_AB42_28 CB_AB42_32 1 4.282469e-03 2.961132e-05 ; 4.364762e-01 1.548355e-01 9.518150e-02 1.581677e-02 0.000485 0.001021 True native_MD 7 255 282 CE_AB42_28 CG1_AB42_32 1 2.535444e-03 1.034903e-05 ; 3.997676e-01 1.552917e-01 7.878202e-02 1.505569e-02 0.000485 0.001190 True native_MD 7 255 283 CE_AB42_28 CG2_AB42_32 1 2.153697e-03 6.175572e-06 ; 3.769196e-01 1.877725e-01 9.493554e-02 1.344790e-02 0.000485 0.002332 True native_MD 7 255 284 CE_AB42_28 CD_AB42_32 1 1.757001e-03 4.642555e-06 ; 3.718184e-01 1.662368e-01 7.567481e-02 2.042064e-02 0.000485 0.002332 True native_MD 7 255 285 - CE_AB42_28 C_AB42_32 1 0.000000e+00 6.224060e-06 ; 3.280962e-01 -6.224060e-06 2.054525e-02 3.194097e-03 0.000485 0.000060 True native_MD 7 255 286 + CE_AB42_28 C_AB42_32 1 0.000000e+00 6.223955e-06 ; 3.280957e-01 -6.223955e-06 2.054525e-02 3.194097e-03 0.000485 0.000060 True native_MD 7 255 286 CE_AB42_28 O_AB42_32 1 3.986500e-04 2.540471e-07 ; 2.933507e-01 1.563901e-01 1.891355e-02 3.498565e-03 0.000485 0.001191 True native_MD 7 255 287 - CE_AB42_28 N_AB42_33 1 0.000000e+00 3.647820e-06 ; 3.138083e-01 -3.647820e-06 9.498547e-03 1.810503e-03 0.000485 0.000060 True native_MD 7 255 288 + CE_AB42_28 N_AB42_33 1 0.000000e+00 3.647772e-06 ; 3.138080e-01 -3.647772e-06 9.498547e-03 1.810503e-03 0.000485 0.000060 True native_MD 7 255 288 CE_AB42_28 CA_AB42_33 1 2.033124e-03 6.863718e-06 ; 3.873164e-01 1.505595e-01 3.888504e-02 8.561659e-03 0.000485 0.001190 True native_MD 7 255 290 - CE_AB42_28 C_AB42_33 1 0.000000e+00 6.208293e-06 ; 3.280268e-01 -6.208293e-06 2.301632e-02 3.175951e-03 0.000485 0.000060 True native_MD 7 255 291 + CE_AB42_28 C_AB42_33 1 0.000000e+00 6.208189e-06 ; 3.280264e-01 -6.208189e-06 2.301632e-02 3.175951e-03 0.000485 0.000060 True native_MD 7 255 291 CE_AB42_28 O_AB42_33 1 5.486099e-04 4.502096e-07 ; 3.059792e-01 1.671293e-01 2.082124e-02 2.792864e-03 0.000485 0.001191 True native_MD 7 255 292 - CE_AB42_28 N_AB42_34 1 0.000000e+00 3.655382e-06 ; 3.138625e-01 -3.655382e-06 6.440396e-03 8.095972e-04 0.000485 0.000060 True native_MD 7 255 293 + CE_AB42_28 N_AB42_34 1 0.000000e+00 3.655334e-06 ; 3.138621e-01 -3.655334e-06 6.440396e-03 8.095972e-04 0.000485 0.000060 True native_MD 7 255 293 CE_AB42_28 CA_AB42_34 1 3.066392e-03 1.568978e-05 ; 4.151116e-01 1.498230e-01 2.261001e-02 4.365281e-03 0.000485 0.001021 True native_MD 7 255 295 CE_AB42_28 CB_AB42_34 1 2.412297e-03 1.075740e-05 ; 4.057073e-01 1.352365e-01 1.043119e-02 3.632932e-03 0.000485 0.001190 True native_MD 7 255 296 CE_AB42_28 CG_AB42_34 1 2.394151e-03 1.300766e-05 ; 4.192837e-01 1.101650e-01 1.865105e-02 1.179875e-02 0.000485 0.001021 True native_MD 7 255 297 CE_AB42_28 CD1_AB42_34 1 1.500460e-03 4.118096e-06 ; 3.741784e-01 1.366761e-01 1.659607e-02 1.084709e-02 0.000485 0.002332 True native_MD 7 255 298 CE_AB42_28 CD2_AB42_34 1 1.486733e-03 3.961063e-06 ; 3.723315e-01 1.395064e-01 1.516768e-02 9.108410e-03 0.000485 0.002332 True native_MD 7 255 299 - CE_AB42_28 C_AB42_34 1 0.000000e+00 6.308310e-06 ; 3.284640e-01 -6.308310e-06 5.214856e-03 1.165043e-03 0.000485 0.000060 True native_MD 7 255 300 + CE_AB42_28 C_AB42_34 1 0.000000e+00 6.308204e-06 ; 3.284635e-01 -6.308204e-06 5.214856e-03 1.165043e-03 0.000485 0.000060 True native_MD 7 255 300 CE_AB42_28 O_AB42_34 1 3.985669e-04 2.996189e-07 ; 3.015398e-01 1.325480e-01 4.450388e-03 1.680281e-03 0.000485 0.001191 True native_MD 7 255 301 - CE_AB42_28 N_AB42_35 1 0.000000e+00 3.673774e-06 ; 3.139938e-01 -3.673774e-06 9.872808e-04 3.595423e-04 0.000485 0.000060 True native_MD 7 255 302 + CE_AB42_28 N_AB42_35 1 0.000000e+00 3.673726e-06 ; 3.139934e-01 -3.673726e-06 9.872808e-04 3.595423e-04 0.000485 0.000060 True native_MD 7 255 302 CE_AB42_28 CA_AB42_35 1 2.934060e-03 2.070313e-05 ; 4.379533e-01 1.039542e-01 4.421020e-03 3.368028e-03 0.000485 0.001021 True native_MD 7 255 304 CE_AB42_28 CB_AB42_35 1 2.488203e-03 1.645295e-05 ; 4.332378e-01 9.407358e-02 2.880403e-03 3.438411e-03 0.000485 0.001190 True native_MD 7 255 305 CE_AB42_28 CG_AB42_35 1 2.382369e-03 1.364184e-05 ; 4.229711e-01 1.040123e-01 4.966978e-03 4.403786e-03 0.000485 0.001190 True native_MD 7 255 306 - CE_AB42_28 SD_AB42_35 1 0.000000e+00 6.466692e-06 ; 3.291434e-01 -6.466692e-06 7.701479e-03 4.865170e-03 0.000485 0.000060 True native_MD 7 255 307 + CE_AB42_28 SD_AB42_35 1 0.000000e+00 6.466681e-06 ; 3.291434e-01 -6.466681e-06 7.701479e-03 4.865170e-03 0.000485 0.000060 True native_MD 7 255 307 CE_AB42_28 CE_AB42_35 1 1.198810e-03 2.641195e-06 ; 3.607240e-01 1.360317e-01 1.103998e-02 7.356171e-03 0.000485 0.002332 True native_MD 7 255 308 - CE_AB42_28 C_AB42_35 1 0.000000e+00 6.331667e-06 ; 3.285652e-01 -6.331667e-06 1.279722e-03 9.176142e-04 0.000485 0.000060 True native_MD 7 255 309 + CE_AB42_28 C_AB42_35 1 0.000000e+00 6.331561e-06 ; 3.285647e-01 -6.331561e-06 1.279722e-03 9.176142e-04 0.000485 0.000060 True native_MD 7 255 309 CE_AB42_28 O_AB42_35 1 2.418953e-04 1.489054e-07 ; 2.916624e-01 9.823916e-02 1.129445e-03 1.059185e-03 0.000485 0.001191 True native_MD 7 255 310 - CE_AB42_28 N_AB42_36 1 0.000000e+00 3.671628e-06 ; 3.139785e-01 -3.671628e-06 1.398402e-03 1.868619e-04 0.000485 0.000060 True native_MD 7 255 311 + CE_AB42_28 N_AB42_36 1 0.000000e+00 3.671580e-06 ; 3.139781e-01 -3.671580e-06 1.398402e-03 1.868619e-04 0.000485 0.000060 True native_MD 7 255 311 CE_AB42_28 CA_AB42_36 1 6.410145e-03 6.208523e-05 ; 4.616931e-01 1.654579e-01 2.786476e-02 3.369499e-03 0.000485 0.001021 True native_MD 7 255 313 CE_AB42_28 CB_AB42_36 1 4.032535e-03 2.226290e-05 ; 4.204044e-01 1.826058e-01 8.411699e-02 6.088749e-03 0.000485 0.001021 True native_MD 7 255 314 CE_AB42_28 CG1_AB42_36 1 2.169720e-03 5.629857e-06 ; 3.706940e-01 2.090499e-01 7.196310e-02 5.392616e-03 0.000485 0.002332 True native_MD 7 255 315 @@ -46785,7 +46785,7 @@ ND2_AB42_27 O2_AB42_42 1 1.206374e-04 3.081594e-08 ; 2.518927e-01 1.180670 CE_AB42_28 O_AB42_37 1 4.572235e-04 2.917620e-07 ; 2.934157e-01 1.791300e-01 2.027858e-02 1.899376e-03 0.000485 0.001191 True native_MD 7 255 323 CE_AB42_28 N_AB42_38 1 1.520932e-03 7.073108e-06 ; 4.085546e-01 8.176161e-02 7.108130e-03 6.153569e-04 0.000485 0.000060 True native_MD 7 255 324 CE_AB42_28 CA_AB42_38 1 3.611855e-03 2.075591e-05 ; 4.232223e-01 1.571299e-01 1.853549e-02 3.352637e-03 0.000485 0.001190 True native_MD 7 255 326 - CE_AB42_28 C_AB42_38 1 0.000000e+00 6.257737e-06 ; 3.282437e-01 -6.257737e-06 1.383405e-02 1.799809e-03 0.000485 0.000060 True native_MD 7 255 327 + CE_AB42_28 C_AB42_38 1 0.000000e+00 6.257632e-06 ; 3.282433e-01 -6.257632e-06 1.383405e-02 1.799809e-03 0.000485 0.000060 True native_MD 7 255 327 CE_AB42_28 O_AB42_38 1 4.381874e-04 2.937383e-07 ; 2.958354e-01 1.634177e-01 1.133276e-02 1.698701e-03 0.000485 0.001191 True native_MD 7 255 328 CE_AB42_28 N_AB42_39 1 1.306939e-03 4.814791e-06 ; 3.929950e-01 8.868963e-02 4.724836e-03 3.324430e-04 0.000485 0.000060 True native_MD 7 255 329 CE_AB42_28 CA_AB42_39 1 4.771025e-03 3.573917e-05 ; 4.423392e-01 1.592278e-01 1.875703e-02 2.733028e-03 0.000485 0.001021 True native_MD 7 255 331 @@ -46816,58 +46816,58 @@ ND2_AB42_27 O2_AB42_42 1 1.206374e-04 3.081594e-08 ; 2.518927e-01 1.180670 CE_AB42_28 O1_AB42_42 1 3.598244e-04 2.481987e-07 ; 2.972475e-01 1.304132e-01 4.343415e-02 8.767874e-04 0.000485 0.000060 True native_MD 7 255 359 CE_AB42_28 O2_AB42_42 1 3.598244e-04 2.481987e-07 ; 2.972475e-01 1.304132e-01 4.343415e-02 8.767874e-04 0.000485 0.000060 True native_MD 7 255 360 NZ_AB42_28 NZ_AB42_28 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 256 - NZ_AB42_28 C_AB42_28 1 0.000000e+00 1.525802e-06 ; 2.918232e-01 -1.525802e-06 3.961261e-03 1.566651e-02 0.000485 0.000060 True native_MD 6 256 257 - NZ_AB42_28 O_AB42_28 1 0.000000e+00 4.848754e-07 ; 2.652350e-01 -4.848754e-07 1.567001e-03 1.185428e-02 0.000485 0.002166 True native_MD 7 256 258 - NZ_AB42_28 N_AB42_29 1 0.000000e+00 8.745417e-07 ; 2.785972e-01 -8.745417e-07 3.882079e-03 3.022555e-03 0.000485 0.000060 True native_MD 7 256 259 + NZ_AB42_28 C_AB42_28 1 0.000000e+00 1.525781e-06 ; 2.918229e-01 -1.525781e-06 3.961261e-03 1.566651e-02 0.000485 0.000060 True native_MD 6 256 257 + NZ_AB42_28 O_AB42_28 1 0.000000e+00 4.848749e-07 ; 2.652350e-01 -4.848749e-07 1.567001e-03 1.185428e-02 0.000485 0.002166 True native_MD 7 256 258 + NZ_AB42_28 N_AB42_29 1 0.000000e+00 8.745325e-07 ; 2.785969e-01 -8.745325e-07 3.882079e-03 3.022555e-03 0.000485 0.000060 True native_MD 7 256 259 NZ_AB42_28 CA_AB42_29 1 2.290869e-03 1.055581e-05 ; 4.079265e-01 1.242936e-01 5.759555e-03 3.703639e-03 0.000485 0.001584 True native_MD 7 256 261 NZ_AB42_28 C_AB42_29 1 1.017452e-03 1.774737e-06 ; 3.469525e-01 1.458256e-01 4.691705e-03 1.699394e-03 0.000485 0.002166 True native_MD 7 256 262 NZ_AB42_28 O_AB42_29 1 1.186686e-04 2.552637e-08 ; 2.447798e-01 1.379186e-01 6.695312e-03 3.916354e-03 0.000485 0.002166 True native_MD 7 256 263 - NZ_AB42_28 N_AB42_30 1 0.000000e+00 8.762782e-07 ; 2.786432e-01 -8.762782e-07 1.069375e-03 2.193784e-03 0.000485 0.000060 True native_MD 7 256 264 + NZ_AB42_28 N_AB42_30 1 0.000000e+00 8.762690e-07 ; 2.786430e-01 -8.762690e-07 1.069375e-03 2.193784e-03 0.000485 0.000060 True native_MD 7 256 264 NZ_AB42_28 CA_AB42_30 1 1.445967e-03 6.477172e-06 ; 4.060111e-01 8.069955e-02 9.017731e-03 1.806821e-02 0.000485 0.001339 True native_MD 7 256 266 - NZ_AB42_28 CB_AB42_30 1 0.000000e+00 2.821807e-06 ; 3.071654e-01 -2.821807e-06 6.272298e-03 3.503032e-02 0.000485 0.000060 True native_MD 7 256 267 + NZ_AB42_28 CB_AB42_30 1 0.000000e+00 2.821781e-06 ; 3.071651e-01 -2.821781e-06 6.272298e-03 3.503032e-02 0.000485 0.000060 True native_MD 7 256 267 NZ_AB42_28 C_AB42_30 1 1.014177e-03 1.821416e-06 ; 3.486443e-01 1.411751e-01 5.898279e-03 3.129686e-03 0.000485 0.002166 True native_MD 7 256 268 NZ_AB42_28 O_AB42_30 1 1.040560e-04 2.014597e-08 ; 2.405213e-01 1.343651e-01 7.296410e-03 4.746838e-03 0.000485 0.002166 True native_MD 7 256 269 - NZ_AB42_28 N_AB42_31 1 0.000000e+00 8.751044e-07 ; 2.786121e-01 -8.751044e-07 8.695987e-04 6.529333e-04 0.000485 0.000060 True native_MD 7 256 270 + NZ_AB42_28 N_AB42_31 1 0.000000e+00 8.750952e-07 ; 2.786119e-01 -8.750952e-07 8.695987e-04 6.529333e-04 0.000485 0.000060 True native_MD 7 256 270 NZ_AB42_28 CA_AB42_31 1 1.807002e-03 7.229405e-06 ; 3.984349e-01 1.129158e-01 6.750144e-03 5.157356e-03 0.000485 0.001339 True native_MD 7 256 272 - NZ_AB42_28 CB_AB42_31 1 0.000000e+00 7.620735e-06 ; 3.336784e-01 -7.620735e-06 4.222364e-03 1.026064e-02 0.000485 0.000060 True native_MD 7 256 273 - NZ_AB42_28 CG1_AB42_31 1 0.000000e+00 3.709461e-06 ; 3.142468e-01 -3.709461e-06 5.064891e-03 1.414504e-02 0.000485 0.000060 True native_MD 7 256 274 - NZ_AB42_28 CG2_AB42_31 1 0.000000e+00 2.754648e-06 ; 3.065494e-01 -2.754648e-06 5.471502e-03 9.745131e-03 0.000485 0.000060 True native_MD 7 256 275 - NZ_AB42_28 CD_AB42_31 1 0.000000e+00 2.775438e-06 ; 3.067416e-01 -2.775438e-06 1.037866e-02 2.223171e-02 0.000485 0.000060 True native_MD 7 256 276 + NZ_AB42_28 CB_AB42_31 1 0.000000e+00 7.620723e-06 ; 3.336783e-01 -7.620723e-06 4.222364e-03 1.026064e-02 0.000485 0.000060 True native_MD 7 256 273 + NZ_AB42_28 CG1_AB42_31 1 0.000000e+00 3.709412e-06 ; 3.142465e-01 -3.709412e-06 5.064891e-03 1.414504e-02 0.000485 0.000060 True native_MD 7 256 274 + NZ_AB42_28 CG2_AB42_31 1 0.000000e+00 2.754622e-06 ; 3.065492e-01 -2.754622e-06 5.471502e-03 9.745131e-03 0.000485 0.000060 True native_MD 7 256 275 + NZ_AB42_28 CD_AB42_31 1 0.000000e+00 2.775412e-06 ; 3.067413e-01 -2.775412e-06 1.037866e-02 2.223171e-02 0.000485 0.000060 True native_MD 7 256 276 NZ_AB42_28 C_AB42_31 1 8.249657e-04 1.317026e-06 ; 3.418690e-01 1.291866e-01 2.851534e-03 1.107902e-03 0.000485 0.002166 True native_MD 7 256 277 NZ_AB42_28 O_AB42_31 1 1.945285e-04 7.993113e-08 ; 2.726604e-01 1.183560e-01 2.062135e-03 1.936819e-03 0.000485 0.002166 True native_MD 7 256 278 - NZ_AB42_28 N_AB42_32 1 0.000000e+00 8.739536e-07 ; 2.785816e-01 -8.739536e-07 2.017535e-03 4.861081e-04 0.000485 0.000060 True native_MD 7 256 279 + NZ_AB42_28 N_AB42_32 1 0.000000e+00 8.739444e-07 ; 2.785813e-01 -8.739444e-07 2.017535e-03 4.861081e-04 0.000485 0.000060 True native_MD 7 256 279 NZ_AB42_28 CA_AB42_32 1 2.528883e-03 1.251440e-05 ; 4.128068e-01 1.277578e-01 8.539166e-03 4.184397e-03 0.000485 0.001339 True native_MD 7 256 281 - NZ_AB42_28 CB_AB42_32 1 0.000000e+00 7.519469e-06 ; 3.333066e-01 -7.519469e-06 1.399724e-02 6.667106e-03 0.000485 0.000060 True native_MD 7 256 282 - NZ_AB42_28 CG1_AB42_32 1 0.000000e+00 3.649511e-06 ; 3.138204e-01 -3.649511e-06 1.398969e-02 6.761750e-03 0.000485 0.000060 True native_MD 7 256 283 - NZ_AB42_28 CG2_AB42_32 1 0.000000e+00 2.708923e-06 ; 3.061221e-01 -2.708923e-06 1.948103e-02 7.084221e-03 0.000485 0.000060 True native_MD 7 256 284 - NZ_AB42_28 CD_AB42_32 1 0.000000e+00 2.715657e-06 ; 3.061855e-01 -2.715657e-06 2.022017e-02 1.027857e-02 0.000485 0.000060 True native_MD 7 256 285 + NZ_AB42_28 CB_AB42_32 1 0.000000e+00 7.519457e-06 ; 3.333066e-01 -7.519457e-06 1.399724e-02 6.667106e-03 0.000485 0.000060 True native_MD 7 256 282 + NZ_AB42_28 CG1_AB42_32 1 0.000000e+00 3.649463e-06 ; 3.138201e-01 -3.649463e-06 1.398969e-02 6.761750e-03 0.000485 0.000060 True native_MD 7 256 283 + NZ_AB42_28 CG2_AB42_32 1 0.000000e+00 2.708897e-06 ; 3.061219e-01 -2.708897e-06 1.948103e-02 7.084221e-03 0.000485 0.000060 True native_MD 7 256 284 + NZ_AB42_28 CD_AB42_32 1 0.000000e+00 2.715631e-06 ; 3.061852e-01 -2.715631e-06 2.022017e-02 1.027857e-02 0.000485 0.000060 True native_MD 7 256 285 NZ_AB42_28 C_AB42_32 1 1.073107e-03 1.733552e-06 ; 3.425434e-01 1.660692e-01 8.598631e-03 1.775961e-03 0.000485 0.002166 True native_MD 7 256 286 NZ_AB42_28 O_AB42_32 1 1.318158e-04 2.641229e-08 ; 2.419022e-01 1.644633e-01 1.002430e-02 2.649553e-03 0.000485 0.002166 True native_MD 7 256 287 - NZ_AB42_28 N_AB42_33 1 0.000000e+00 8.742298e-07 ; 2.785889e-01 -8.742298e-07 1.879610e-03 6.637603e-04 0.000485 0.000060 True native_MD 7 256 288 + NZ_AB42_28 N_AB42_33 1 0.000000e+00 8.742206e-07 ; 2.785887e-01 -8.742206e-07 1.879610e-03 6.637603e-04 0.000485 0.000060 True native_MD 7 256 288 NZ_AB42_28 CA_AB42_33 1 2.053285e-03 7.104501e-06 ; 3.889085e-01 1.483559e-01 1.646457e-02 5.153014e-03 0.000485 0.001584 True native_MD 7 256 290 NZ_AB42_28 C_AB42_33 1 9.581187e-04 1.336556e-06 ; 3.342679e-01 1.717084e-01 1.017935e-02 1.960980e-03 0.000485 0.002166 True native_MD 7 256 291 NZ_AB42_28 O_AB42_33 1 1.627633e-04 3.767318e-08 ; 2.477874e-01 1.758008e-01 1.150555e-02 2.081050e-03 0.000485 0.002166 True native_MD 7 256 292 - NZ_AB42_28 N_AB42_34 1 0.000000e+00 8.730592e-07 ; 2.785578e-01 -8.730592e-07 2.929680e-03 3.765314e-04 0.000485 0.000060 True native_MD 7 256 293 + NZ_AB42_28 N_AB42_34 1 0.000000e+00 8.730501e-07 ; 2.785575e-01 -8.730501e-07 2.929680e-03 3.765314e-04 0.000485 0.000060 True native_MD 7 256 293 NZ_AB42_28 CA_AB42_34 1 2.371227e-03 8.589467e-06 ; 3.918912e-01 1.636515e-01 1.262529e-02 2.113294e-03 0.000485 0.001339 True native_MD 7 256 295 - NZ_AB42_28 CB_AB42_34 1 0.000000e+00 3.676303e-06 ; 3.140118e-01 -3.676303e-06 1.838382e-03 1.898694e-03 0.000485 0.000060 True native_MD 7 256 296 - NZ_AB42_28 CG_AB42_34 1 0.000000e+00 7.582837e-06 ; 3.335398e-01 -7.582837e-06 4.956099e-03 5.991439e-03 0.000485 0.000060 True native_MD 7 256 297 - NZ_AB42_28 CD1_AB42_34 1 0.000000e+00 2.746899e-06 ; 3.064775e-01 -2.746899e-06 4.948111e-03 6.396361e-03 0.000485 0.000060 True native_MD 7 256 298 - NZ_AB42_28 CD2_AB42_34 1 0.000000e+00 2.742709e-06 ; 3.064385e-01 -2.742709e-06 5.012224e-03 4.932900e-03 0.000485 0.000060 True native_MD 7 256 299 + NZ_AB42_28 CB_AB42_34 1 0.000000e+00 3.676255e-06 ; 3.140114e-01 -3.676255e-06 1.838382e-03 1.898694e-03 0.000485 0.000060 True native_MD 7 256 296 + NZ_AB42_28 CG_AB42_34 1 0.000000e+00 7.582826e-06 ; 3.335397e-01 -7.582826e-06 4.956099e-03 5.991439e-03 0.000485 0.000060 True native_MD 7 256 297 + NZ_AB42_28 CD1_AB42_34 1 0.000000e+00 2.746873e-06 ; 3.064772e-01 -2.746873e-06 4.948111e-03 6.396361e-03 0.000485 0.000060 True native_MD 7 256 298 + NZ_AB42_28 CD2_AB42_34 1 0.000000e+00 2.742683e-06 ; 3.064382e-01 -2.742683e-06 5.012224e-03 4.932900e-03 0.000485 0.000060 True native_MD 7 256 299 NZ_AB42_28 C_AB42_34 1 8.115929e-04 1.312829e-06 ; 3.426192e-01 1.254320e-01 2.548482e-03 6.622402e-04 0.000485 0.002166 True native_MD 7 256 300 NZ_AB42_28 O_AB42_34 1 1.267269e-04 3.189559e-08 ; 2.512717e-01 1.258771e-01 2.582653e-03 1.119063e-03 0.000485 0.002166 True native_MD 7 256 301 NZ_AB42_28 N_AB42_35 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 3.504653e-04 2.551121e-04 0.000485 0.000060 True native_MD 7 256 302 NZ_AB42_28 CA_AB42_35 1 1.197048e-03 3.535903e-06 ; 3.787896e-01 1.013125e-01 1.814611e-03 1.962011e-03 0.000485 0.001339 True native_MD 7 256 304 - NZ_AB42_28 CB_AB42_35 1 0.000000e+00 3.680844e-06 ; 3.140441e-01 -3.680844e-06 5.263141e-04 1.821934e-03 0.000485 0.000060 True native_MD 7 256 305 - NZ_AB42_28 CG_AB42_35 1 0.000000e+00 3.681907e-06 ; 3.140516e-01 -3.681907e-06 7.928525e-04 2.377474e-03 0.000485 0.000060 True native_MD 7 256 306 + NZ_AB42_28 CB_AB42_35 1 0.000000e+00 3.680796e-06 ; 3.140437e-01 -3.680796e-06 5.263141e-04 1.821934e-03 0.000485 0.000060 True native_MD 7 256 305 + NZ_AB42_28 CG_AB42_35 1 0.000000e+00 3.681858e-06 ; 3.140513e-01 -3.681858e-06 7.928525e-04 2.377474e-03 0.000485 0.000060 True native_MD 7 256 306 NZ_AB42_28 SD_AB42_35 1 9.206709e-04 2.074401e-06 ; 3.620746e-01 1.021542e-01 1.269834e-03 1.822251e-03 0.000485 0.002166 True native_MD 7 256 307 - NZ_AB42_28 CE_AB42_35 1 0.000000e+00 2.743644e-06 ; 3.064472e-01 -2.743644e-06 3.332170e-03 3.593835e-03 0.000485 0.000060 True native_MD 7 256 308 + NZ_AB42_28 CE_AB42_35 1 0.000000e+00 2.743618e-06 ; 3.064470e-01 -2.743618e-06 3.332170e-03 3.593835e-03 0.000485 0.000060 True native_MD 7 256 308 NZ_AB42_28 C_AB42_35 1 3.452751e-04 3.258579e-07 ; 3.131919e-01 9.146234e-02 9.221234e-04 4.915452e-04 0.000485 0.002166 True native_MD 7 256 309 NZ_AB42_28 O_AB42_35 1 8.093161e-05 1.768711e-08 ; 2.454275e-01 9.258046e-02 9.535004e-04 4.736153e-04 0.000485 0.002166 True native_MD 7 256 310 NZ_AB42_28 N_AB42_36 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 4.547870e-04 1.589522e-04 0.000485 0.000060 True native_MD 7 256 311 NZ_AB42_28 CA_AB42_36 1 4.239590e-03 2.563250e-05 ; 4.268198e-01 1.753059e-01 1.342236e-02 1.585182e-03 0.000485 0.001339 True native_MD 7 256 313 - NZ_AB42_28 CB_AB42_36 1 0.000000e+00 7.416286e-06 ; 3.329231e-01 -7.416286e-06 2.394728e-02 2.995662e-03 0.000485 0.000060 True native_MD 7 256 314 - NZ_AB42_28 CG1_AB42_36 1 0.000000e+00 2.691000e-06 ; 3.059528e-01 -2.691000e-06 2.166463e-02 2.733676e-03 0.000485 0.000060 True native_MD 7 256 315 - NZ_AB42_28 CG2_AB42_36 1 0.000000e+00 2.712371e-06 ; 3.061546e-01 -2.712371e-06 1.355074e-02 2.411299e-03 0.000485 0.000060 True native_MD 7 256 316 + NZ_AB42_28 CB_AB42_36 1 0.000000e+00 7.416275e-06 ; 3.329230e-01 -7.416275e-06 2.394728e-02 2.995662e-03 0.000485 0.000060 True native_MD 7 256 314 + NZ_AB42_28 CG1_AB42_36 1 0.000000e+00 2.690975e-06 ; 3.059526e-01 -2.690975e-06 2.166463e-02 2.733676e-03 0.000485 0.000060 True native_MD 7 256 315 + NZ_AB42_28 CG2_AB42_36 1 0.000000e+00 2.712346e-06 ; 3.061543e-01 -2.712346e-06 1.355074e-02 2.411299e-03 0.000485 0.000060 True native_MD 7 256 316 NZ_AB42_28 C_AB42_36 1 1.081710e-03 1.609748e-06 ; 3.378894e-01 1.817203e-01 1.373542e-02 5.931966e-04 0.000485 0.002166 True native_MD 7 256 317 NZ_AB42_28 O_AB42_36 1 1.417097e-04 2.716819e-08 ; 2.401284e-01 1.847901e-01 1.505700e-02 1.003885e-03 0.000485 0.002166 True native_MD 7 256 318 NZ_AB42_28 N_AB42_37 1 9.924596e-04 2.565164e-06 ; 3.704535e-01 9.599544e-02 6.194283e-03 3.502437e-04 0.000485 0.000060 True native_MD 7 256 319 @@ -46880,24 +46880,24 @@ ND2_AB42_27 O2_AB42_42 1 1.206374e-04 3.081594e-08 ; 2.518927e-01 1.180670 NZ_AB42_28 O_AB42_38 1 1.399685e-04 2.820241e-08 ; 2.421267e-01 1.736659e-01 1.079348e-02 1.494922e-03 0.000485 0.002166 True native_MD 7 256 328 NZ_AB42_28 N_AB42_39 1 9.923014e-04 2.045285e-06 ; 3.567399e-01 1.203576e-01 4.137033e-03 1.128344e-04 0.000485 0.000060 True native_MD 7 256 329 NZ_AB42_28 CA_AB42_39 1 3.161157e-03 1.426636e-05 ; 4.065162e-01 1.751133e-01 1.361404e-02 1.617117e-03 0.000485 0.001339 True native_MD 7 256 331 - NZ_AB42_28 CB_AB42_39 1 0.000000e+00 7.547424e-06 ; 3.334097e-01 -7.547424e-06 6.048600e-03 2.408844e-03 0.000485 0.000060 True native_MD 7 256 332 - NZ_AB42_28 CG1_AB42_39 1 0.000000e+00 2.739233e-06 ; 3.064061e-01 -2.739233e-06 3.724494e-03 2.377988e-03 0.000485 0.000060 True native_MD 7 256 333 - NZ_AB42_28 CG2_AB42_39 1 0.000000e+00 2.738430e-06 ; 3.063986e-01 -2.738430e-06 3.261612e-03 1.622517e-03 0.000485 0.000060 True native_MD 7 256 334 + NZ_AB42_28 CB_AB42_39 1 0.000000e+00 7.547412e-06 ; 3.334097e-01 -7.547412e-06 6.048600e-03 2.408844e-03 0.000485 0.000060 True native_MD 7 256 332 + NZ_AB42_28 CG1_AB42_39 1 0.000000e+00 2.739207e-06 ; 3.064059e-01 -2.739207e-06 3.724494e-03 2.377988e-03 0.000485 0.000060 True native_MD 7 256 333 + NZ_AB42_28 CG2_AB42_39 1 0.000000e+00 2.738404e-06 ; 3.063984e-01 -2.738404e-06 3.261612e-03 1.622517e-03 0.000485 0.000060 True native_MD 7 256 334 NZ_AB42_28 C_AB42_39 1 1.026067e-03 1.583950e-06 ; 3.399598e-01 1.661691e-01 8.624376e-03 4.595703e-04 0.000485 0.002166 True native_MD 7 256 335 NZ_AB42_28 O_AB42_39 1 1.425340e-04 3.001950e-08 ; 2.439201e-01 1.691895e-01 9.440243e-03 6.060261e-04 0.000485 0.002166 True native_MD 7 256 336 NZ_AB42_28 N_AB42_40 1 1.057550e-03 3.013234e-06 ; 3.765205e-01 9.279167e-02 1.522134e-03 9.472630e-05 0.000485 0.000060 True native_MD 7 256 337 NZ_AB42_28 CA_AB42_40 1 3.197125e-03 1.409946e-05 ; 4.049553e-01 1.812411e-01 1.353986e-02 9.508892e-04 0.000485 0.001339 True native_MD 7 256 339 - NZ_AB42_28 CB_AB42_40 1 0.000000e+00 7.540805e-06 ; 3.333853e-01 -7.540805e-06 6.381484e-03 1.867932e-03 0.000485 0.000060 True native_MD 7 256 340 - NZ_AB42_28 CG1_AB42_40 1 0.000000e+00 2.730210e-06 ; 3.063219e-01 -2.730210e-06 6.601295e-03 1.965279e-03 0.000485 0.000060 True native_MD 7 256 341 - NZ_AB42_28 CG2_AB42_40 1 0.000000e+00 2.733454e-06 ; 3.063522e-01 -2.733454e-06 4.952175e-03 1.498732e-03 0.000485 0.000060 True native_MD 7 256 342 + NZ_AB42_28 CB_AB42_40 1 0.000000e+00 7.540793e-06 ; 3.333853e-01 -7.540793e-06 6.381484e-03 1.867932e-03 0.000485 0.000060 True native_MD 7 256 340 + NZ_AB42_28 CG1_AB42_40 1 0.000000e+00 2.730184e-06 ; 3.063216e-01 -2.730184e-06 6.601295e-03 1.965279e-03 0.000485 0.000060 True native_MD 7 256 341 + NZ_AB42_28 CG2_AB42_40 1 0.000000e+00 2.733428e-06 ; 3.063519e-01 -2.733428e-06 4.952175e-03 1.498732e-03 0.000485 0.000060 True native_MD 7 256 342 NZ_AB42_28 C_AB42_40 1 1.177753e-03 2.228045e-06 ; 3.516778e-01 1.556411e-01 6.293595e-03 2.682744e-04 0.000485 0.002166 True native_MD 7 256 343 NZ_AB42_28 O_AB42_40 1 1.384491e-04 3.008695e-08 ; 2.451967e-01 1.592731e-01 7.016217e-03 5.965295e-04 0.000485 0.002166 True native_MD 7 256 344 NZ_AB42_28 N_AB42_41 1 1.159750e-03 3.647225e-06 ; 3.827657e-01 9.219473e-02 9.425572e-04 1.057198e-06 0.000485 0.000060 True native_MD 7 256 345 NZ_AB42_28 CA_AB42_41 1 3.276385e-03 1.508063e-05 ; 4.078534e-01 1.779550e-01 1.227171e-02 1.049945e-03 0.000485 0.001339 True native_MD 7 256 347 - NZ_AB42_28 CB_AB42_41 1 0.000000e+00 7.536988e-06 ; 3.333713e-01 -7.536988e-06 6.481724e-03 1.464369e-03 0.000485 0.000060 True native_MD 7 256 348 - NZ_AB42_28 CG1_AB42_41 1 0.000000e+00 3.669294e-06 ; 3.139619e-01 -3.669294e-06 3.287176e-03 1.440838e-03 0.000485 0.000060 True native_MD 7 256 349 - NZ_AB42_28 CG2_AB42_41 1 0.000000e+00 2.727135e-06 ; 3.062931e-01 -2.727135e-06 7.237892e-03 1.480980e-03 0.000485 0.000060 True native_MD 7 256 350 - NZ_AB42_28 CD_AB42_41 1 0.000000e+00 2.739628e-06 ; 3.064098e-01 -2.739628e-06 3.665181e-03 2.462783e-03 0.000485 0.000060 True native_MD 7 256 351 + NZ_AB42_28 CB_AB42_41 1 0.000000e+00 7.536977e-06 ; 3.333712e-01 -7.536977e-06 6.481724e-03 1.464369e-03 0.000485 0.000060 True native_MD 7 256 348 + NZ_AB42_28 CG1_AB42_41 1 0.000000e+00 3.669246e-06 ; 3.139615e-01 -3.669246e-06 3.287176e-03 1.440838e-03 0.000485 0.000060 True native_MD 7 256 349 + NZ_AB42_28 CG2_AB42_41 1 0.000000e+00 2.727110e-06 ; 3.062929e-01 -2.727110e-06 7.237892e-03 1.480980e-03 0.000485 0.000060 True native_MD 7 256 350 + NZ_AB42_28 CD_AB42_41 1 0.000000e+00 2.739602e-06 ; 3.064095e-01 -2.739602e-06 3.665181e-03 2.462783e-03 0.000485 0.000060 True native_MD 7 256 351 NZ_AB42_28 C_AB42_41 1 1.012949e-03 1.432931e-06 ; 3.350474e-01 1.790153e-01 1.266734e-02 3.730926e-04 0.000485 0.002166 True native_MD 7 256 352 NZ_AB42_28 O_AB42_41 1 1.573725e-04 3.530232e-08 ; 2.464974e-01 1.753859e-01 1.136359e-02 5.112893e-04 0.000485 0.002166 True native_MD 7 256 353 NZ_AB42_28 N_AB42_42 1 8.710168e-04 1.359059e-06 ; 3.405665e-01 1.395580e-01 1.024772e-02 1.573397e-04 0.000485 0.000060 True native_MD 7 256 354 @@ -46906,27 +46906,27 @@ ND2_AB42_27 O2_AB42_42 1 1.206374e-04 3.081594e-08 ; 2.518927e-01 1.180670 NZ_AB42_28 C_AB42_42 1 4.748933e-04 2.501002e-07 ; 2.841753e-01 2.254333e-01 5.081178e-02 1.162110e-03 0.000485 0.002166 True native_MD 7 256 358 NZ_AB42_28 O1_AB42_42 1 1.605836e-04 2.906875e-08 ; 2.378414e-01 2.217767e-01 4.554503e-02 6.182022e-04 0.000485 0.002166 True native_MD 7 256 359 NZ_AB42_28 O2_AB42_42 1 1.605836e-04 2.906875e-08 ; 2.378414e-01 2.217767e-01 4.554503e-02 6.182022e-04 0.000485 0.002166 True native_MD 7 256 360 - C_AB42_28 CA_AB42_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 257 261 - C_AB42_28 O_AB42_29 1 0.000000e+00 6.051780e-07 ; 2.701792e-01 -6.051780e-07 9.328254e-01 6.646511e-01 0.000485 0.000060 True native_MD 4 257 263 - C_AB42_28 N_AB42_30 1 0.000000e+00 1.497347e-06 ; 2.913658e-01 -1.497347e-06 9.713624e-01 9.642003e-01 0.000485 0.000060 True native_MD 4 257 264 - C_AB42_28 CA_AB42_30 1 0.000000e+00 1.374170e-05 ; 3.504815e-01 -1.374170e-05 8.154791e-01 8.683325e-01 0.000485 0.000060 True native_MD 5 257 266 - C_AB42_28 CB_AB42_30 1 0.000000e+00 5.174044e-06 ; 3.230831e-01 -5.174044e-06 2.482166e-01 3.429939e-01 0.000485 0.000060 True native_MD 6 257 267 - C_AB42_28 C_AB42_30 1 0.000000e+00 2.459909e-06 ; 3.036721e-01 -2.459909e-06 1.245522e-01 7.119172e-02 0.000485 0.000060 True native_MD 6 257 268 + C_AB42_28 CA_AB42_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 257 261 + C_AB42_28 O_AB42_29 1 0.000000e+00 6.051752e-07 ; 2.701791e-01 -6.051752e-07 9.328254e-01 6.646511e-01 0.000485 0.000060 True native_MD 4 257 263 + C_AB42_28 N_AB42_30 1 0.000000e+00 1.497326e-06 ; 2.913654e-01 -1.497326e-06 9.713624e-01 9.642003e-01 0.000485 0.000060 True native_MD 4 257 264 + C_AB42_28 CA_AB42_30 1 0.000000e+00 1.374163e-05 ; 3.504813e-01 -1.374163e-05 8.154791e-01 8.683325e-01 0.000485 0.000060 True native_MD 5 257 266 + C_AB42_28 CB_AB42_30 1 0.000000e+00 5.173977e-06 ; 3.230827e-01 -5.173977e-06 2.482166e-01 3.429939e-01 0.000485 0.000060 True native_MD 6 257 267 + C_AB42_28 C_AB42_30 1 0.000000e+00 2.459865e-06 ; 3.036717e-01 -2.459865e-06 1.245522e-01 7.119172e-02 0.000485 0.000060 True native_MD 6 257 268 C_AB42_28 O_AB42_30 1 9.979133e-04 1.958224e-06 ; 3.538302e-01 1.271344e-01 4.109907e-02 3.319668e-02 0.000485 0.002166 True native_MD 7 257 269 C_AB42_28 N_AB42_31 1 8.816648e-04 1.589412e-06 ; 3.488635e-01 1.222674e-01 1.283777e-01 1.199507e-01 0.000485 0.002166 True native_MD 7 257 270 C_AB42_28 CA_AB42_31 1 2.748262e-03 1.717787e-05 ; 4.291922e-01 1.099226e-01 1.345170e-01 1.124055e-01 0.000485 0.001339 True native_MD 7 257 272 - C_AB42_28 CB_AB42_31 1 0.000000e+00 1.277345e-05 ; 3.483539e-01 -1.277345e-05 1.460555e-01 1.247244e-01 0.000485 0.000060 True native_MD 7 257 273 - C_AB42_28 CG1_AB42_31 1 0.000000e+00 6.405801e-06 ; 3.288840e-01 -6.405801e-06 1.237143e-01 1.350563e-01 0.000485 0.000060 True native_MD 7 257 274 - C_AB42_28 CG2_AB42_31 1 0.000000e+00 4.661011e-06 ; 3.202838e-01 -4.661011e-06 5.980491e-02 4.602931e-02 0.000485 0.000060 True native_MD 7 257 275 - C_AB42_28 CD_AB42_31 1 0.000000e+00 4.663215e-06 ; 3.202964e-01 -4.663215e-06 8.257199e-02 6.926278e-02 0.000485 0.000060 True native_MD 7 257 276 + C_AB42_28 CB_AB42_31 1 0.000000e+00 1.277339e-05 ; 3.483538e-01 -1.277339e-05 1.460555e-01 1.247244e-01 0.000485 0.000060 True native_MD 7 257 273 + C_AB42_28 CG1_AB42_31 1 0.000000e+00 6.405693e-06 ; 3.288836e-01 -6.405693e-06 1.237143e-01 1.350563e-01 0.000485 0.000060 True native_MD 7 257 274 + C_AB42_28 CG2_AB42_31 1 0.000000e+00 4.660950e-06 ; 3.202835e-01 -4.660950e-06 5.980491e-02 4.602931e-02 0.000485 0.000060 True native_MD 7 257 275 + C_AB42_28 CD_AB42_31 1 0.000000e+00 4.663154e-06 ; 3.202961e-01 -4.663154e-06 8.257199e-02 6.926278e-02 0.000485 0.000060 True native_MD 7 257 276 C_AB42_28 C_AB42_31 1 3.429066e-03 1.871970e-05 ; 4.196178e-01 1.570336e-01 2.598792e-02 8.578924e-03 0.000485 0.002166 True native_MD 7 257 277 - C_AB42_28 O_AB42_31 1 0.000000e+00 8.431418e-07 ; 2.777496e-01 -8.431418e-07 4.412903e-03 2.400186e-02 0.000485 0.002166 True native_MD 7 257 278 + C_AB42_28 O_AB42_31 1 0.000000e+00 8.431379e-07 ; 2.777495e-01 -8.431379e-07 4.412903e-03 2.400186e-02 0.000485 0.002166 True native_MD 7 257 278 C_AB42_28 N_AB42_32 1 2.083408e-03 5.372932e-06 ; 3.703163e-01 2.019656e-01 5.215706e-02 4.487616e-03 0.000485 0.002166 True native_MD 7 257 279 C_AB42_28 CA_AB42_32 1 5.905139e-03 5.008328e-05 ; 4.515894e-01 1.740634e-01 1.027762e-01 1.259755e-02 0.000485 0.001339 True native_MD 7 257 281 - C_AB42_28 CB_AB42_32 1 0.000000e+00 1.101627e-05 ; 3.440841e-01 -1.101627e-05 1.790944e-01 2.313244e-02 0.000485 0.000060 True native_MD 7 257 282 - C_AB42_28 CG1_AB42_32 1 0.000000e+00 5.660740e-06 ; 3.255126e-01 -5.660740e-06 1.377576e-01 3.147003e-02 0.000485 0.000060 True native_MD 7 257 283 + C_AB42_28 CB_AB42_32 1 0.000000e+00 1.101621e-05 ; 3.440839e-01 -1.101621e-05 1.790944e-01 2.313244e-02 0.000485 0.000060 True native_MD 7 257 282 + C_AB42_28 CG1_AB42_32 1 0.000000e+00 5.660645e-06 ; 3.255121e-01 -5.660645e-06 1.377576e-01 3.147003e-02 0.000485 0.000060 True native_MD 7 257 283 C_AB42_28 CG2_AB42_32 1 7.323345e-04 1.723838e-06 ; 3.647241e-01 7.777903e-02 1.206602e-01 1.176782e-02 0.000485 0.000060 True native_MD 7 257 284 - C_AB42_28 CD_AB42_32 1 0.000000e+00 4.484931e-06 ; 3.192577e-01 -4.484931e-06 7.581114e-02 2.477881e-02 0.000485 0.000060 True native_MD 7 257 285 + C_AB42_28 CD_AB42_32 1 0.000000e+00 4.484872e-06 ; 3.192573e-01 -4.484872e-06 7.581114e-02 2.477881e-02 0.000485 0.000060 True native_MD 7 257 285 C_AB42_28 C_AB42_32 1 4.001790e-03 1.942620e-05 ; 4.114865e-01 2.060918e-01 2.848323e-02 9.793747e-04 0.000485 0.002166 True native_MD 7 257 286 C_AB42_28 O_AB42_32 1 6.762054e-04 7.490245e-07 ; 3.216643e-01 1.526164e-01 8.563862e-03 3.226649e-03 0.000485 0.002166 True native_MD 7 257 287 C_AB42_28 N_AB42_33 1 2.455976e-03 6.026387e-06 ; 3.672587e-01 2.502253e-01 1.067035e-01 1.077587e-03 0.000485 0.002166 True native_MD 7 257 288 @@ -46935,24 +46935,24 @@ ND2_AB42_27 O2_AB42_42 1 1.206374e-04 3.081594e-08 ; 2.518927e-01 1.180670 C_AB42_28 O_AB42_33 1 1.516465e-03 3.619958e-06 ; 3.655767e-01 1.588185e-01 6.921413e-03 5.083122e-04 0.000485 0.002166 True native_MD 7 257 292 C_AB42_28 N_AB42_34 1 1.259435e-03 3.287368e-06 ; 3.710611e-01 1.206266e-01 2.207128e-03 5.224212e-07 0.000485 0.002166 True native_MD 7 257 293 C_AB42_28 CA_AB42_34 1 4.236640e-03 2.814937e-05 ; 4.335853e-01 1.594096e-01 7.044936e-03 8.861664e-04 0.000485 0.001339 True native_MD 7 257 295 - C_AB42_28 CB_AB42_34 1 0.000000e+00 6.305034e-06 ; 3.284498e-01 -6.305034e-06 6.728602e-03 2.161586e-03 0.000485 0.000060 True native_MD 7 257 296 - C_AB42_28 CG_AB42_34 1 0.000000e+00 1.291642e-05 ; 3.486772e-01 -1.291642e-05 1.654413e-02 6.166986e-03 0.000485 0.000060 True native_MD 7 257 297 - C_AB42_28 CD1_AB42_34 1 0.000000e+00 4.708591e-06 ; 3.205550e-01 -4.708591e-06 1.229894e-02 8.590785e-03 0.000485 0.000060 True native_MD 7 257 298 - C_AB42_28 CD2_AB42_34 1 0.000000e+00 4.687599e-06 ; 3.204357e-01 -4.687599e-06 1.430668e-02 6.157017e-03 0.000485 0.000060 True native_MD 7 257 299 + C_AB42_28 CB_AB42_34 1 0.000000e+00 6.304928e-06 ; 3.284493e-01 -6.304928e-06 6.728602e-03 2.161586e-03 0.000485 0.000060 True native_MD 7 257 296 + C_AB42_28 CG_AB42_34 1 0.000000e+00 1.291636e-05 ; 3.486770e-01 -1.291636e-05 1.654413e-02 6.166986e-03 0.000485 0.000060 True native_MD 7 257 297 + C_AB42_28 CD1_AB42_34 1 0.000000e+00 4.708529e-06 ; 3.205547e-01 -4.708529e-06 1.229894e-02 8.590785e-03 0.000485 0.000060 True native_MD 7 257 298 + C_AB42_28 CD2_AB42_34 1 0.000000e+00 4.687538e-06 ; 3.204353e-01 -4.687538e-06 1.430668e-02 6.157017e-03 0.000485 0.000060 True native_MD 7 257 299 C_AB42_28 C_AB42_34 1 2.282097e-03 1.244509e-05 ; 4.195438e-01 1.046189e-01 1.367039e-03 1.662993e-04 0.000485 0.002166 True native_MD 7 257 300 C_AB42_28 O_AB42_34 1 4.923018e-04 6.988866e-07 ; 3.352452e-01 8.669541e-02 7.995302e-04 5.829573e-04 0.000485 0.002166 True native_MD 7 257 301 C_AB42_28 N_AB42_35 1 1.206878e-03 4.655847e-06 ; 3.960250e-01 7.821101e-02 6.202487e-04 1.656077e-04 0.000485 0.002166 True native_MD 7 257 302 C_AB42_28 CA_AB42_35 1 3.131546e-03 1.765258e-05 ; 4.218664e-01 1.388831e-01 4.411965e-03 1.549718e-03 0.000485 0.001339 True native_MD 7 257 304 - C_AB42_28 CB_AB42_35 1 0.000000e+00 6.318508e-06 ; 3.285082e-01 -6.318508e-06 4.410489e-03 1.970715e-03 0.000485 0.000060 True native_MD 7 257 305 - C_AB42_28 CG_AB42_35 1 0.000000e+00 6.313111e-06 ; 3.284848e-01 -6.313111e-06 6.234476e-03 2.942716e-03 0.000485 0.000060 True native_MD 7 257 306 + C_AB42_28 CB_AB42_35 1 0.000000e+00 6.318402e-06 ; 3.285077e-01 -6.318402e-06 4.410489e-03 1.970715e-03 0.000485 0.000060 True native_MD 7 257 305 + C_AB42_28 CG_AB42_35 1 0.000000e+00 6.313005e-06 ; 3.284843e-01 -6.313005e-06 6.234476e-03 2.942716e-03 0.000485 0.000060 True native_MD 7 257 306 C_AB42_28 SD_AB42_35 1 1.125724e-03 2.161211e-06 ; 3.525420e-01 1.465909e-01 6.754243e-03 3.047688e-03 0.000485 0.002166 True native_MD 7 257 307 - C_AB42_28 CE_AB42_35 1 0.000000e+00 4.711256e-06 ; 3.205701e-01 -4.711256e-06 8.302295e-03 5.158210e-03 0.000485 0.000060 True native_MD 7 257 308 + C_AB42_28 CE_AB42_35 1 0.000000e+00 4.711195e-06 ; 3.205698e-01 -4.711195e-06 8.302295e-03 5.158210e-03 0.000485 0.000060 True native_MD 7 257 308 C_AB42_28 C_AB42_35 1 1.811415e-03 1.034654e-05 ; 4.227947e-01 7.928311e-02 6.404713e-04 2.633564e-04 0.000485 0.002166 True native_MD 7 257 309 C_AB42_28 N_AB42_36 1 8.499966e-04 1.917680e-06 ; 3.621539e-01 9.418858e-02 1.000509e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 257 311 C_AB42_28 CA_AB42_36 1 2.964911e-03 1.997667e-05 ; 4.345955e-01 1.100120e-01 1.606470e-03 5.227985e-04 0.000485 0.001339 True native_MD 7 257 313 - C_AB42_28 CB_AB42_36 1 0.000000e+00 1.295419e-05 ; 3.487620e-01 -1.295419e-05 9.281868e-03 1.798148e-03 0.000485 0.000060 True native_MD 7 257 314 - C_AB42_28 CG1_AB42_36 1 0.000000e+00 4.707450e-06 ; 3.205485e-01 -4.707450e-06 5.663742e-03 1.714178e-03 0.000485 0.000060 True native_MD 7 257 315 - C_AB42_28 CG2_AB42_36 1 0.000000e+00 4.662187e-06 ; 3.202906e-01 -4.662187e-06 1.575360e-02 2.226888e-03 0.000485 0.000060 True native_MD 7 257 316 + C_AB42_28 CB_AB42_36 1 0.000000e+00 1.295412e-05 ; 3.487619e-01 -1.295412e-05 9.281868e-03 1.798148e-03 0.000485 0.000060 True native_MD 7 257 314 + C_AB42_28 CG1_AB42_36 1 0.000000e+00 4.707388e-06 ; 3.205482e-01 -4.707388e-06 5.663742e-03 1.714178e-03 0.000485 0.000060 True native_MD 7 257 315 + C_AB42_28 CG2_AB42_36 1 0.000000e+00 4.662126e-06 ; 3.202902e-01 -4.662126e-06 1.575360e-02 2.226888e-03 0.000485 0.000060 True native_MD 7 257 316 C_AB42_28 C_AB42_36 1 1.406191e-03 5.614014e-06 ; 3.982950e-01 8.805529e-02 8.327388e-04 2.361942e-04 0.000485 0.002166 True native_MD 7 257 317 C_AB42_28 O_AB42_36 1 5.359483e-04 8.941448e-07 ; 3.443876e-01 8.031153e-02 6.604892e-04 2.884038e-04 0.000485 0.002166 True native_MD 7 257 318 C_AB42_28 N_AB42_37 1 1.219790e-03 4.042038e-06 ; 3.861173e-01 9.202577e-02 9.378034e-04 8.634295e-05 0.000485 0.002166 True native_MD 7 257 319 @@ -46964,9 +46964,9 @@ ND2_AB42_27 O2_AB42_42 1 1.206374e-04 3.081594e-08 ; 2.518927e-01 1.180670 C_AB42_28 C_AB42_38 1 2.211269e-03 1.250450e-05 ; 4.220891e-01 9.775898e-02 1.113331e-03 2.599959e-04 0.000485 0.002166 True native_MD 7 257 327 C_AB42_28 N_AB42_39 1 9.245139e-04 2.244968e-06 ; 3.666200e-01 9.518243e-02 1.030713e-03 5.007991e-05 0.000485 0.002166 True native_MD 7 257 329 C_AB42_28 CA_AB42_39 1 3.067184e-03 1.850193e-05 ; 4.266576e-01 1.271167e-01 2.680263e-03 3.616252e-04 0.000485 0.001339 True native_MD 7 257 331 - C_AB42_28 CB_AB42_39 1 0.000000e+00 1.299252e-05 ; 3.488479e-01 -1.299252e-05 5.833424e-03 1.286352e-03 0.000485 0.000060 True native_MD 7 257 332 - C_AB42_28 CG1_AB42_39 1 0.000000e+00 4.701436e-06 ; 3.205144e-01 -4.701436e-06 6.642048e-03 1.420124e-03 0.000485 0.000060 True native_MD 7 257 333 - C_AB42_28 CG2_AB42_39 1 0.000000e+00 4.710530e-06 ; 3.205660e-01 -4.710530e-06 4.391505e-03 1.093794e-03 0.000485 0.000060 True native_MD 7 257 334 + C_AB42_28 CB_AB42_39 1 0.000000e+00 1.299245e-05 ; 3.488477e-01 -1.299245e-05 5.833424e-03 1.286352e-03 0.000485 0.000060 True native_MD 7 257 332 + C_AB42_28 CG1_AB42_39 1 0.000000e+00 4.701375e-06 ; 3.205141e-01 -4.701375e-06 6.642048e-03 1.420124e-03 0.000485 0.000060 True native_MD 7 257 333 + C_AB42_28 CG2_AB42_39 1 0.000000e+00 4.710469e-06 ; 3.205657e-01 -4.710469e-06 4.391505e-03 1.093794e-03 0.000485 0.000060 True native_MD 7 257 334 C_AB42_28 C_AB42_39 1 2.785758e-03 1.587085e-05 ; 4.226130e-01 1.222437e-01 2.316565e-03 2.099098e-06 0.000485 0.002166 True native_MD 7 257 335 C_AB42_28 O_AB42_39 1 1.114288e-03 1.786971e-06 ; 3.421265e-01 1.737069e-01 1.080673e-02 1.719943e-04 0.000485 0.002166 True native_MD 7 257 336 C_AB42_28 N_AB42_40 1 1.043853e-03 2.928480e-06 ; 3.755494e-01 9.302008e-02 9.661275e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 257 337 @@ -46993,11 +46993,11 @@ ND2_AB42_27 O2_AB42_42 1 1.206374e-04 3.081594e-08 ; 2.518927e-01 1.180670 O_AB42_28 O_AB42_28 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 258 258 O_AB42_28 H_AB42_29 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 258 260 O_AB42_28 CA_AB42_29 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 258 261 - O_AB42_28 C_AB42_29 1 0.000000e+00 8.259531e-07 ; 2.772732e-01 -8.259531e-07 9.999766e-01 9.987797e-01 0.000485 0.000060 True native_MD 4 258 262 + O_AB42_28 C_AB42_29 1 0.000000e+00 8.259493e-07 ; 2.772731e-01 -8.259493e-07 9.999766e-01 9.987797e-01 0.000485 0.000060 True native_MD 4 258 262 O_AB42_28 O_AB42_29 1 0.000000e+00 1.149625e-06 ; 2.850196e-01 -1.149625e-06 9.707391e-01 7.371557e-01 0.000485 0.000060 True native_MD 5 258 263 O_AB42_28 N_AB42_30 1 0.000000e+00 1.460221e-06 ; 2.907568e-01 -1.460221e-06 9.140000e-01 8.874806e-01 0.000485 0.000060 True native_MD 5 258 264 - O_AB42_28 H_AB42_30 1 0.000000e+00 1.667920e-08 ; 2.002978e-01 -1.667920e-08 1.701350e-01 2.450890e-01 0.000485 0.000060 True native_MD 6 258 265 - O_AB42_28 CA_AB42_30 1 0.000000e+00 3.771170e-06 ; 3.146792e-01 -3.771170e-06 5.758994e-01 4.838505e-01 0.000485 0.000060 True native_MD 6 258 266 + O_AB42_28 H_AB42_30 1 0.000000e+00 1.667946e-08 ; 2.002981e-01 -1.667946e-08 1.701350e-01 2.450890e-01 0.000485 0.000060 True native_MD 6 258 265 + O_AB42_28 CA_AB42_30 1 0.000000e+00 3.771200e-06 ; 3.146794e-01 -3.771200e-06 5.758994e-01 4.838505e-01 0.000485 0.000060 True native_MD 6 258 266 O_AB42_28 CB_AB42_30 1 1.081314e-03 2.954818e-06 ; 3.739066e-01 9.892654e-02 7.181573e-02 7.416020e-02 0.000485 0.001191 True native_MD 7 258 267 O_AB42_28 C_AB42_30 1 1.277493e-03 2.726506e-06 ; 3.588184e-01 1.496410e-01 9.157485e-02 3.771632e-02 0.000485 0.002166 True native_MD 7 258 268 O_AB42_28 O_AB42_30 1 0.000000e+00 1.420539e-06 ; 2.900900e-01 -1.420539e-06 1.117803e-01 5.880646e-02 0.000485 0.000060 True native_MD 7 258 269 @@ -47092,24 +47092,24 @@ ND2_AB42_27 O2_AB42_42 1 1.206374e-04 3.081594e-08 ; 2.518927e-01 1.180670 O_AB42_28 C_AB42_42 1 7.759952e-04 2.032744e-06 ; 3.712820e-01 7.405858e-02 5.477699e-04 5.452147e-04 0.000485 0.002166 True native_MD 7 258 358 O_AB42_28 O1_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 258 359 O_AB42_28 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 258 360 - N_AB42_29 CA_AB42_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 261 - N_AB42_29 CA_AB42_30 1 0.000000e+00 7.574916e-06 ; 3.335107e-01 -7.574916e-06 9.999992e-01 9.999888e-01 0.000485 0.000060 True native_MD 4 259 266 - N_AB42_29 CB_AB42_30 1 0.000000e+00 3.373064e-06 ; 3.117672e-01 -3.373064e-06 3.476556e-01 5.773877e-01 0.000485 0.000060 True native_MD 5 259 267 - N_AB42_29 C_AB42_30 1 0.000000e+00 1.502586e-06 ; 2.914506e-01 -1.502586e-06 7.584967e-02 7.216108e-02 0.000485 0.000060 True native_MD 5 259 268 + N_AB42_29 CA_AB42_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 261 + N_AB42_29 CA_AB42_30 1 0.000000e+00 7.574904e-06 ; 3.335107e-01 -7.574904e-06 9.999992e-01 9.999888e-01 0.000485 0.000060 True native_MD 4 259 266 + N_AB42_29 CB_AB42_30 1 0.000000e+00 3.373032e-06 ; 3.117669e-01 -3.373032e-06 3.476556e-01 5.773877e-01 0.000485 0.000060 True native_MD 5 259 267 + N_AB42_29 C_AB42_30 1 0.000000e+00 1.502565e-06 ; 2.914502e-01 -1.502565e-06 7.584967e-02 7.216108e-02 0.000485 0.000060 True native_MD 5 259 268 N_AB42_29 O_AB42_30 1 0.000000e+00 1.497068e-06 ; 2.913613e-01 -1.497068e-06 9.191882e-02 8.996442e-02 0.000485 0.000060 True native_MD 6 259 269 - N_AB42_29 N_AB42_31 1 0.000000e+00 8.929934e-07 ; 2.790823e-01 -8.929934e-07 7.144722e-02 9.166827e-02 0.000485 0.000060 True native_MD 6 259 270 + N_AB42_29 N_AB42_31 1 0.000000e+00 8.929840e-07 ; 2.790821e-01 -8.929840e-07 7.144722e-02 9.166827e-02 0.000485 0.000060 True native_MD 6 259 270 N_AB42_29 CA_AB42_31 1 4.261143e-03 4.413187e-05 ; 4.668790e-01 1.028584e-01 3.282511e-02 3.388696e-02 0.000485 0.001339 True native_MD 7 259 272 - N_AB42_29 CB_AB42_31 1 0.000000e+00 7.615634e-06 ; 3.336598e-01 -7.615634e-06 2.665304e-02 3.201793e-02 0.000485 0.000060 True native_MD 7 259 273 - N_AB42_29 CG1_AB42_31 1 0.000000e+00 3.793544e-06 ; 3.148343e-01 -3.793544e-06 3.831655e-02 7.026962e-02 0.000485 0.000060 True native_MD 7 259 274 - N_AB42_29 CG2_AB42_31 1 0.000000e+00 2.737899e-06 ; 3.063937e-01 -2.737899e-06 2.243153e-02 2.059876e-02 0.000485 0.000060 True native_MD 7 259 275 - N_AB42_29 CD_AB42_31 1 0.000000e+00 2.760135e-06 ; 3.066003e-01 -2.760135e-06 1.040016e-02 1.667406e-02 0.000485 0.000060 True native_MD 7 259 276 + N_AB42_29 CB_AB42_31 1 0.000000e+00 7.615622e-06 ; 3.336597e-01 -7.615622e-06 2.665304e-02 3.201793e-02 0.000485 0.000060 True native_MD 7 259 273 + N_AB42_29 CG1_AB42_31 1 0.000000e+00 3.793494e-06 ; 3.148340e-01 -3.793494e-06 3.831655e-02 7.026962e-02 0.000485 0.000060 True native_MD 7 259 274 + N_AB42_29 CG2_AB42_31 1 0.000000e+00 2.737873e-06 ; 3.063934e-01 -2.737873e-06 2.243153e-02 2.059876e-02 0.000485 0.000060 True native_MD 7 259 275 + N_AB42_29 CD_AB42_31 1 0.000000e+00 2.760109e-06 ; 3.066000e-01 -2.760109e-06 1.040016e-02 1.667406e-02 0.000485 0.000060 True native_MD 7 259 276 N_AB42_29 O_AB42_31 1 0.000000e+00 1.534636e-06 ; 2.919636e-01 -1.534636e-06 4.733099e-03 2.782377e-02 0.000485 0.002166 True native_MD 7 259 278 - N_AB42_29 N_AB42_32 1 0.000000e+00 8.739872e-07 ; 2.785825e-01 -8.739872e-07 2.138816e-03 6.458472e-04 0.000485 0.000060 True native_MD 7 259 279 + N_AB42_29 N_AB42_32 1 0.000000e+00 8.739781e-07 ; 2.785822e-01 -8.739781e-07 2.138816e-03 6.458472e-04 0.000485 0.000060 True native_MD 7 259 279 N_AB42_29 CA_AB42_32 1 6.276495e-03 5.065997e-05 ; 4.478762e-01 1.944059e-01 5.426842e-02 3.618772e-03 0.000485 0.001339 True native_MD 7 259 281 N_AB42_29 CB_AB42_32 1 1.003449e-03 3.039445e-06 ; 3.803790e-01 8.282012e-02 1.575282e-01 1.321213e-02 0.000485 0.000060 True native_MD 7 259 282 - N_AB42_29 CG1_AB42_32 1 0.000000e+00 3.300780e-06 ; 3.112049e-01 -3.300780e-06 1.257415e-01 2.364869e-02 0.000485 0.000060 True native_MD 7 259 283 + N_AB42_29 CG1_AB42_32 1 0.000000e+00 3.300737e-06 ; 3.112045e-01 -3.300737e-06 1.257415e-01 2.364869e-02 0.000485 0.000060 True native_MD 7 259 283 N_AB42_29 CG2_AB42_32 1 3.912929e-04 4.873810e-07 ; 3.280155e-01 7.853721e-02 8.880218e-02 8.466458e-03 0.000485 0.000060 True native_MD 7 259 284 - N_AB42_29 CD_AB42_32 1 0.000000e+00 2.612431e-06 ; 3.051983e-01 -2.612431e-06 6.459603e-02 1.702089e-02 0.000485 0.000060 True native_MD 7 259 285 + N_AB42_29 CD_AB42_32 1 0.000000e+00 2.612406e-06 ; 3.051980e-01 -2.612406e-06 6.459603e-02 1.702089e-02 0.000485 0.000060 True native_MD 7 259 285 N_AB42_29 C_AB42_32 1 1.310517e-03 2.559902e-06 ; 3.535603e-01 1.677265e-01 9.035846e-03 1.200865e-03 0.000485 0.002166 True native_MD 7 259 286 N_AB42_29 O_AB42_32 1 1.563374e-04 4.169555e-08 ; 2.537101e-01 1.465466e-01 1.725487e-02 7.796269e-03 0.000485 0.002166 True native_MD 7 259 287 N_AB42_29 N_AB42_33 1 1.269990e-03 2.938223e-06 ; 3.636755e-01 1.372321e-01 4.396242e-02 7.236394e-04 0.000485 0.000060 True native_MD 7 259 288 @@ -47118,35 +47118,35 @@ ND2_AB42_27 O2_AB42_42 1 1.206374e-04 3.081594e-08 ; 2.518927e-01 1.180670 N_AB42_29 O_AB42_33 1 6.007175e-04 5.804198e-07 ; 3.144213e-01 1.554313e-01 6.254199e-03 6.062348e-04 0.000485 0.002166 True native_MD 7 259 292 N_AB42_29 N_AB42_34 1 8.284791e-04 1.613084e-06 ; 3.533696e-01 1.063766e-01 1.440871e-03 3.964281e-07 0.000485 0.000060 True native_MD 7 259 293 N_AB42_29 CA_AB42_34 1 1.724250e-03 5.388273e-06 ; 3.823621e-01 1.379402e-01 3.705497e-03 2.703110e-04 0.000485 0.001339 True native_MD 7 259 295 - N_AB42_29 CB_AB42_34 1 0.000000e+00 3.672845e-06 ; 3.139872e-01 -3.672845e-06 2.336226e-03 1.455837e-03 0.000485 0.000060 True native_MD 7 259 296 - N_AB42_29 CG_AB42_34 1 0.000000e+00 7.535151e-06 ; 3.333645e-01 -7.535151e-06 7.832546e-03 2.572672e-03 0.000485 0.000060 True native_MD 7 259 297 - N_AB42_29 CD1_AB42_34 1 0.000000e+00 2.741466e-06 ; 3.064269e-01 -2.741466e-06 6.006077e-03 5.473599e-03 0.000485 0.000060 True native_MD 7 259 298 - N_AB42_29 CD2_AB42_34 1 0.000000e+00 2.732220e-06 ; 3.063407e-01 -2.732220e-06 7.537383e-03 3.634294e-03 0.000485 0.000060 True native_MD 7 259 299 + N_AB42_29 CB_AB42_34 1 0.000000e+00 3.672797e-06 ; 3.139868e-01 -3.672797e-06 2.336226e-03 1.455837e-03 0.000485 0.000060 True native_MD 7 259 296 + N_AB42_29 CG_AB42_34 1 0.000000e+00 7.535139e-06 ; 3.333644e-01 -7.535139e-06 7.832546e-03 2.572672e-03 0.000485 0.000060 True native_MD 7 259 297 + N_AB42_29 CD1_AB42_34 1 0.000000e+00 2.741440e-06 ; 3.064267e-01 -2.741440e-06 6.006077e-03 5.473599e-03 0.000485 0.000060 True native_MD 7 259 298 + N_AB42_29 CD2_AB42_34 1 0.000000e+00 2.732194e-06 ; 3.063404e-01 -2.732194e-06 7.537383e-03 3.634294e-03 0.000485 0.000060 True native_MD 7 259 299 N_AB42_29 C_AB42_34 1 6.009374e-04 1.175299e-06 ; 3.536333e-01 7.681571e-02 5.948831e-04 1.065534e-06 0.000485 0.002166 True native_MD 7 259 300 N_AB42_29 O_AB42_34 1 2.602645e-04 1.341387e-07 ; 2.831543e-01 1.262454e-01 2.611276e-03 1.389700e-03 0.000485 0.002166 True native_MD 7 259 301 N_AB42_29 N_AB42_35 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 6.888404e-05 4.874833e-05 0.000485 0.000060 True native_MD 7 259 302 N_AB42_29 CA_AB42_35 1 1.623865e-03 5.177372e-06 ; 3.836424e-01 1.273300e-01 2.697420e-03 1.105579e-03 0.000485 0.001339 True native_MD 7 259 304 - N_AB42_29 CB_AB42_35 1 0.000000e+00 3.670681e-06 ; 3.139717e-01 -3.670681e-06 2.551583e-03 1.082498e-03 0.000485 0.000060 True native_MD 7 259 305 - N_AB42_29 CG_AB42_35 1 0.000000e+00 3.668784e-06 ; 3.139582e-01 -3.668784e-06 3.475548e-03 1.490349e-03 0.000485 0.000060 True native_MD 7 259 306 + N_AB42_29 CB_AB42_35 1 0.000000e+00 3.670633e-06 ; 3.139714e-01 -3.670633e-06 2.551583e-03 1.082498e-03 0.000485 0.000060 True native_MD 7 259 305 + N_AB42_29 CG_AB42_35 1 0.000000e+00 3.668736e-06 ; 3.139579e-01 -3.668736e-06 3.475548e-03 1.490349e-03 0.000485 0.000060 True native_MD 7 259 306 N_AB42_29 SD_AB42_35 1 7.378238e-04 9.803742e-07 ; 3.315684e-01 1.388205e-01 4.450789e-03 2.534118e-03 0.000485 0.002166 True native_MD 7 259 307 - N_AB42_29 CE_AB42_35 1 0.000000e+00 2.738829e-06 ; 3.064023e-01 -2.738829e-06 4.704471e-03 3.210862e-03 0.000485 0.000060 True native_MD 7 259 308 + N_AB42_29 CE_AB42_35 1 0.000000e+00 2.738803e-06 ; 3.064021e-01 -2.738803e-06 4.704471e-03 3.210862e-03 0.000485 0.000060 True native_MD 7 259 308 N_AB42_29 N_AB42_36 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 7.165883e-05 2.324631e-06 0.000485 0.000060 True native_MD 7 259 311 N_AB42_29 CA_AB42_36 1 2.206771e-03 1.723998e-05 ; 4.454476e-01 7.061836e-02 4.941818e-04 4.053626e-04 0.000485 0.001339 True native_MD 7 259 313 - N_AB42_29 CB_AB42_36 1 0.000000e+00 7.565136e-06 ; 3.334748e-01 -7.565136e-06 2.399955e-03 1.098432e-03 0.000485 0.000060 True native_MD 7 259 314 - N_AB42_29 CG1_AB42_36 1 0.000000e+00 2.738479e-06 ; 3.063991e-01 -2.738479e-06 3.105872e-03 1.484655e-03 0.000485 0.000060 True native_MD 7 259 315 - N_AB42_29 CG2_AB42_36 1 0.000000e+00 2.737934e-06 ; 3.063940e-01 -2.737934e-06 3.614136e-03 1.794201e-03 0.000485 0.000060 True native_MD 7 259 316 + N_AB42_29 CB_AB42_36 1 0.000000e+00 7.565124e-06 ; 3.334748e-01 -7.565124e-06 2.399955e-03 1.098432e-03 0.000485 0.000060 True native_MD 7 259 314 + N_AB42_29 CG1_AB42_36 1 0.000000e+00 2.738453e-06 ; 3.063988e-01 -2.738453e-06 3.105872e-03 1.484655e-03 0.000485 0.000060 True native_MD 7 259 315 + N_AB42_29 CG2_AB42_36 1 0.000000e+00 2.737908e-06 ; 3.063938e-01 -2.737908e-06 3.614136e-03 1.794201e-03 0.000485 0.000060 True native_MD 7 259 316 N_AB42_29 C_AB42_36 1 6.997603e-04 1.729505e-06 ; 3.677015e-01 7.078101e-02 4.965931e-04 1.678597e-04 0.000485 0.002166 True native_MD 7 259 317 N_AB42_29 O_AB42_36 1 1.539609e-04 6.676967e-08 ; 2.751238e-01 8.875273e-02 8.503018e-04 4.167518e-04 0.000485 0.002166 True native_MD 7 259 318 N_AB42_29 N_AB42_37 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.315141e-04 1.115632e-04 0.000485 0.000060 True native_MD 7 259 319 N_AB42_29 CA_AB42_37 1 1.110332e-03 2.299937e-06 ; 3.570348e-01 1.340076e-01 3.294093e-03 1.382275e-03 0.000485 0.001584 True native_MD 7 259 321 N_AB42_29 O_AB42_37 1 3.252070e-04 3.772804e-07 ; 3.241535e-01 7.008025e-02 4.862876e-04 1.105235e-03 0.000485 0.002166 True native_MD 7 259 323 - N_AB42_29 N_AB42_38 1 0.000000e+00 8.749327e-07 ; 2.786076e-01 -8.749327e-07 7.505326e-04 3.377036e-04 0.000485 0.000060 True native_MD 7 259 324 + N_AB42_29 N_AB42_38 1 0.000000e+00 8.749235e-07 ; 2.786073e-01 -8.749235e-07 7.505326e-04 3.377036e-04 0.000485 0.000060 True native_MD 7 259 324 N_AB42_29 CA_AB42_38 1 1.272073e-03 3.704327e-06 ; 3.778907e-01 1.092080e-01 1.568280e-03 8.497772e-04 0.000485 0.001584 True native_MD 7 259 326 N_AB42_29 N_AB42_39 1 9.480469e-04 3.110505e-06 ; 3.854785e-01 7.223851e-02 5.187324e-04 5.711854e-05 0.000485 0.000060 True native_MD 7 259 329 N_AB42_29 CA_AB42_39 1 3.165438e-03 2.070153e-05 ; 4.324422e-01 1.210055e-01 2.232296e-03 1.644899e-04 0.000485 0.001339 True native_MD 7 259 331 - N_AB42_29 CB_AB42_39 1 0.000000e+00 7.554483e-06 ; 3.334357e-01 -7.554483e-06 3.454557e-03 7.467175e-04 0.000485 0.000060 True native_MD 7 259 332 - N_AB42_29 CG1_AB42_39 1 0.000000e+00 2.735002e-06 ; 3.063666e-01 -2.735002e-06 3.922862e-03 1.033964e-03 0.000485 0.000060 True native_MD 7 259 333 - N_AB42_29 CG2_AB42_39 1 0.000000e+00 2.739933e-06 ; 3.064126e-01 -2.739933e-06 1.829711e-03 7.384447e-04 0.000485 0.000060 True native_MD 7 259 334 + N_AB42_29 CB_AB42_39 1 0.000000e+00 7.554471e-06 ; 3.334356e-01 -7.554471e-06 3.454557e-03 7.467175e-04 0.000485 0.000060 True native_MD 7 259 332 + N_AB42_29 CG1_AB42_39 1 0.000000e+00 2.734976e-06 ; 3.063664e-01 -2.734976e-06 3.922862e-03 1.033964e-03 0.000485 0.000060 True native_MD 7 259 333 + N_AB42_29 CG2_AB42_39 1 0.000000e+00 2.739907e-06 ; 3.064124e-01 -2.739907e-06 1.829711e-03 7.384447e-04 0.000485 0.000060 True native_MD 7 259 334 N_AB42_29 C_AB42_39 1 7.669016e-04 1.516171e-06 ; 3.542703e-01 9.697749e-02 1.087596e-03 6.591226e-05 0.000485 0.002166 True native_MD 7 259 335 N_AB42_29 O_AB42_39 1 1.486735e-04 4.295539e-08 ; 2.571169e-01 1.286440e-01 2.805604e-03 2.033723e-04 0.000485 0.002166 True native_MD 7 259 336 N_AB42_29 N_AB42_40 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.629240e-04 1.163933e-07 0.000485 0.000060 True native_MD 7 259 337 @@ -47171,7 +47171,7 @@ ND2_AB42_27 O2_AB42_42 1 1.206374e-04 3.081594e-08 ; 2.518927e-01 1.180670 N_AB42_29 O1_AB42_42 1 1.229527e-04 2.733920e-08 ; 2.461357e-01 1.382388e-01 3.738760e-03 8.743172e-04 0.000485 0.002166 True native_MD 7 259 359 N_AB42_29 O2_AB42_42 1 1.229527e-04 2.733920e-08 ; 2.461357e-01 1.382388e-01 3.738760e-03 8.743172e-04 0.000485 0.002166 True native_MD 7 259 360 H_AB42_29 H_AB42_29 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 260 - H_AB42_29 O_AB42_29 1 0.000000e+00 1.512904e-08 ; 1.986762e-01 -1.512904e-08 1.891706e-01 1.642183e-01 0.000485 0.000060 True native_MD 4 260 263 + H_AB42_29 O_AB42_29 1 0.000000e+00 1.512927e-08 ; 1.986765e-01 -1.512927e-08 1.891706e-01 1.642183e-01 0.000485 0.000060 True native_MD 4 260 263 H_AB42_29 H_AB42_30 1 0.000000e+00 1.569082e-08 ; 1.992808e-01 -1.569082e-08 4.379063e-01 7.454746e-01 0.000485 0.000060 True native_MD 5 260 265 H_AB42_29 O_AB42_30 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 269 H_AB42_29 H_AB42_31 1 0.000000e+00 1.242853e-08 ; 1.954474e-01 -1.242853e-08 1.410806e-03 3.712178e-02 0.000485 0.000060 True native_MD 7 260 271 @@ -47199,20 +47199,20 @@ ND2_AB42_27 O2_AB42_42 1 1.206374e-04 3.081594e-08 ; 2.518927e-01 1.180670 H_AB42_29 H_AB42_42 1 5.583924e-05 6.571562e-09 ; 2.213714e-01 1.186179e-01 2.078362e-03 0.000000e+00 0.000485 0.000060 True native_MD 7 260 355 H_AB42_29 O1_AB42_42 1 3.836845e-06 3.406197e-11 ; 1.438962e-01 1.080485e-01 1.514794e-03 8.789152e-07 0.000485 0.005316 True native_MD 7 260 359 H_AB42_29 O2_AB42_42 1 3.836845e-06 3.406197e-11 ; 1.438962e-01 1.080485e-01 1.514794e-03 8.789152e-07 0.000485 0.005316 True native_MD 7 260 360 - CA_AB42_29 C_AB42_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 262 + CA_AB42_29 C_AB42_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 262 CA_AB42_29 O_AB42_29 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 263 - CA_AB42_29 N_AB42_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 264 - CA_AB42_29 CB_AB42_30 1 0.000000e+00 1.151977e-05 ; 3.453679e-01 -1.151977e-05 1.000000e+00 9.999968e-01 0.000485 0.000060 True native_MD 4 261 267 - CA_AB42_29 C_AB42_30 1 0.000000e+00 6.333334e-06 ; 3.285724e-01 -6.333334e-06 1.000000e+00 9.999010e-01 0.000485 0.000060 True native_MD 4 261 268 - CA_AB42_29 O_AB42_30 1 0.000000e+00 1.584860e-06 ; 2.927482e-01 -1.584860e-06 3.978114e-01 1.840865e-01 0.000485 0.000060 True native_MD 5 261 269 - CA_AB42_29 N_AB42_31 1 0.000000e+00 4.440273e-06 ; 3.189915e-01 -4.440273e-06 4.747414e-01 6.826235e-01 0.000485 0.000060 True native_MD 5 261 270 - CA_AB42_29 CA_AB42_31 1 0.000000e+00 3.735958e-05 ; 3.809446e-01 -3.735958e-05 4.507567e-01 6.250821e-01 0.000485 0.000060 True native_MD 6 261 272 + CA_AB42_29 N_AB42_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 264 + CA_AB42_29 CB_AB42_30 1 0.000000e+00 1.151963e-05 ; 3.453676e-01 -1.151963e-05 1.000000e+00 9.999968e-01 0.000485 0.000060 True native_MD 4 261 267 + CA_AB42_29 C_AB42_30 1 0.000000e+00 6.333228e-06 ; 3.285719e-01 -6.333228e-06 1.000000e+00 9.999010e-01 0.000485 0.000060 True native_MD 4 261 268 + CA_AB42_29 O_AB42_30 1 0.000000e+00 1.584854e-06 ; 2.927481e-01 -1.584854e-06 3.978114e-01 1.840865e-01 0.000485 0.000060 True native_MD 5 261 269 + CA_AB42_29 N_AB42_31 1 0.000000e+00 4.440215e-06 ; 3.189912e-01 -4.440215e-06 4.747414e-01 6.826235e-01 0.000485 0.000060 True native_MD 5 261 270 + CA_AB42_29 CA_AB42_31 1 0.000000e+00 3.735942e-05 ; 3.809445e-01 -3.735942e-05 4.507567e-01 6.250821e-01 0.000485 0.000060 True native_MD 6 261 272 CA_AB42_29 CB_AB42_31 1 5.372472e-03 8.774526e-05 ; 5.037034e-01 8.223650e-02 2.240722e-01 3.269630e-01 0.000485 0.001021 True native_MD 7 261 273 CA_AB42_29 CG1_AB42_31 1 2.041185e-03 1.337483e-05 ; 4.325812e-01 7.787828e-02 1.311522e-01 2.541939e-01 0.000485 0.001190 True native_MD 7 261 274 CA_AB42_29 CG2_AB42_31 1 3.199754e-03 1.921184e-05 ; 4.263262e-01 1.332307e-01 1.111814e-01 8.055983e-02 0.000485 0.002332 True native_MD 7 261 275 CA_AB42_29 CD_AB42_31 1 1.533406e-03 5.724355e-06 ; 3.938628e-01 1.026899e-01 4.175872e-02 7.546803e-02 0.000485 0.002332 True native_MD 7 261 276 - CA_AB42_29 C_AB42_31 1 0.000000e+00 6.690601e-06 ; 3.300784e-01 -6.690601e-06 1.993645e-02 7.624241e-02 0.000485 0.001584 True native_MD 7 261 277 - CA_AB42_29 O_AB42_31 1 0.000000e+00 2.227864e-06 ; 3.011751e-01 -2.227864e-06 9.569310e-03 1.148491e-01 0.000485 0.001584 True native_MD 7 261 278 + CA_AB42_29 C_AB42_31 1 0.000000e+00 6.690488e-06 ; 3.300779e-01 -6.690488e-06 1.993645e-02 7.624241e-02 0.000485 0.001584 True native_MD 7 261 277 + CA_AB42_29 O_AB42_31 1 0.000000e+00 2.227856e-06 ; 3.011750e-01 -2.227856e-06 9.569310e-03 1.148491e-01 0.000485 0.001584 True native_MD 7 261 278 CA_AB42_29 N_AB42_32 1 2.806347e-03 1.411594e-05 ; 4.139311e-01 1.394802e-01 1.697975e-01 6.930997e-02 0.000485 0.001584 True native_MD 7 261 279 CA_AB42_29 CA_AB42_32 1 5.679313e-03 6.569352e-05 ; 4.755591e-01 1.227465e-01 2.791102e-01 1.211691e-01 0.000485 0.001021 True native_MD 7 261 281 CA_AB42_29 CB_AB42_32 1 2.661431e-03 1.450855e-05 ; 4.195189e-01 1.220524e-01 2.998173e-01 1.328904e-01 0.000485 0.001021 True native_MD 7 261 282 @@ -47251,7 +47251,7 @@ ND2_AB42_27 O2_AB42_42 1 1.206374e-04 3.081594e-08 ; 2.518927e-01 1.180670 CA_AB42_29 N_AB42_37 1 1.082711e-03 2.043178e-06 ; 3.515326e-01 1.434363e-01 4.367943e-03 1.377794e-03 0.000485 0.001584 True native_MD 7 261 319 CA_AB42_29 CA_AB42_37 1 1.466463e-03 4.391655e-06 ; 3.796583e-01 1.224204e-01 9.725558e-03 4.970554e-03 0.000485 0.001190 True native_MD 7 261 321 CA_AB42_29 C_AB42_37 1 1.886940e-03 7.629995e-06 ; 3.991422e-01 1.166627e-01 3.618045e-03 2.923373e-03 0.000485 0.001584 True native_MD 7 261 322 - CA_AB42_29 O_AB42_37 1 0.000000e+00 2.018995e-06 ; 2.987145e-01 -2.018995e-06 6.269497e-04 2.283391e-03 0.000485 0.001584 True native_MD 7 261 323 + CA_AB42_29 O_AB42_37 1 0.000000e+00 2.018988e-06 ; 2.987144e-01 -2.018988e-06 6.269497e-04 2.283391e-03 0.000485 0.001584 True native_MD 7 261 323 CA_AB42_29 N_AB42_38 1 9.927513e-04 2.091074e-06 ; 3.580317e-01 1.178288e-01 2.289761e-03 1.786697e-03 0.000485 0.001584 True native_MD 7 261 324 CA_AB42_29 CA_AB42_38 1 1.113913e-03 3.255155e-06 ; 3.781117e-01 9.529513e-02 3.580771e-03 4.121023e-03 0.000485 0.001190 True native_MD 7 261 326 CA_AB42_29 C_AB42_38 1 1.404109e-03 4.011246e-06 ; 3.766862e-01 1.228747e-01 2.660331e-03 1.784891e-03 0.000485 0.001584 True native_MD 7 261 327 @@ -47284,22 +47284,22 @@ ND2_AB42_27 O2_AB42_42 1 1.206374e-04 3.081594e-08 ; 2.518927e-01 1.180670 CA_AB42_29 C_AB42_42 1 1.157039e-03 2.187562e-06 ; 3.516431e-01 1.529945e-01 6.509991e-03 1.773370e-03 0.000485 0.001584 True native_MD 7 261 358 CA_AB42_29 O1_AB42_42 1 3.867192e-04 2.701257e-07 ; 2.978711e-01 1.384094e-01 3.757893e-03 1.248841e-03 0.000485 0.001584 True native_MD 7 261 359 CA_AB42_29 O2_AB42_42 1 3.867192e-04 2.701257e-07 ; 2.978711e-01 1.384094e-01 3.757893e-03 1.248841e-03 0.000485 0.001584 True native_MD 7 261 360 - C_AB42_29 CB_AB42_30 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 267 - C_AB42_29 O_AB42_30 1 0.000000e+00 7.381416e-07 ; 2.746882e-01 -7.381416e-07 9.488170e-01 8.414320e-01 0.000485 0.000060 True native_MD 4 262 269 - C_AB42_29 N_AB42_31 1 0.000000e+00 1.505013e-06 ; 2.914898e-01 -1.505013e-06 9.747105e-01 9.726315e-01 0.000485 0.000060 True native_MD 4 262 270 - C_AB42_29 CA_AB42_31 1 0.000000e+00 1.301687e-05 ; 3.489023e-01 -1.301687e-05 8.928671e-01 8.901858e-01 0.000485 0.000060 True native_MD 5 262 272 - C_AB42_29 CB_AB42_31 1 0.000000e+00 1.426544e-05 ; 3.515756e-01 -1.426544e-05 4.109353e-01 5.039160e-01 0.000485 0.000060 True native_MD 6 262 273 - C_AB42_29 CG1_AB42_31 1 0.000000e+00 6.967667e-06 ; 3.311964e-01 -6.967667e-06 1.891931e-01 2.892420e-01 0.000485 0.000060 True native_MD 7 262 274 - C_AB42_29 CG2_AB42_31 1 0.000000e+00 4.494732e-06 ; 3.193157e-01 -4.494732e-06 1.541955e-01 1.052369e-01 0.000485 0.000060 True native_MD 7 262 275 - C_AB42_29 CD_AB42_31 1 0.000000e+00 4.678813e-06 ; 3.203856e-01 -4.678813e-06 5.349484e-02 4.348597e-02 0.000485 0.000060 True native_MD 7 262 276 - C_AB42_29 C_AB42_31 1 0.000000e+00 2.775996e-06 ; 3.067467e-01 -2.775996e-06 2.177991e-01 2.860776e-01 0.000485 0.000060 True native_MD 6 262 277 - C_AB42_29 O_AB42_31 1 0.000000e+00 9.743650e-07 ; 2.811179e-01 -9.743650e-07 1.803111e-02 1.963048e-01 0.000485 0.002166 True native_MD 7 262 278 + C_AB42_29 CB_AB42_30 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 267 + C_AB42_29 O_AB42_30 1 0.000000e+00 7.381382e-07 ; 2.746881e-01 -7.381382e-07 9.488170e-01 8.414320e-01 0.000485 0.000060 True native_MD 4 262 269 + C_AB42_29 N_AB42_31 1 0.000000e+00 1.504992e-06 ; 2.914895e-01 -1.504992e-06 9.747105e-01 9.726315e-01 0.000485 0.000060 True native_MD 4 262 270 + C_AB42_29 CA_AB42_31 1 0.000000e+00 1.301680e-05 ; 3.489022e-01 -1.301680e-05 8.928671e-01 8.901858e-01 0.000485 0.000060 True native_MD 5 262 272 + C_AB42_29 CB_AB42_31 1 0.000000e+00 1.426536e-05 ; 3.515755e-01 -1.426536e-05 4.109353e-01 5.039160e-01 0.000485 0.000060 True native_MD 6 262 273 + C_AB42_29 CG1_AB42_31 1 0.000000e+00 6.967550e-06 ; 3.311959e-01 -6.967550e-06 1.891931e-01 2.892420e-01 0.000485 0.000060 True native_MD 7 262 274 + C_AB42_29 CG2_AB42_31 1 0.000000e+00 4.494673e-06 ; 3.193154e-01 -4.494673e-06 1.541955e-01 1.052369e-01 0.000485 0.000060 True native_MD 7 262 275 + C_AB42_29 CD_AB42_31 1 0.000000e+00 4.678751e-06 ; 3.203852e-01 -4.678751e-06 5.349484e-02 4.348597e-02 0.000485 0.000060 True native_MD 7 262 276 + C_AB42_29 C_AB42_31 1 0.000000e+00 2.775947e-06 ; 3.067463e-01 -2.775947e-06 2.177991e-01 2.860776e-01 0.000485 0.000060 True native_MD 6 262 277 + C_AB42_29 O_AB42_31 1 0.000000e+00 9.743605e-07 ; 2.811178e-01 -9.743605e-07 1.803111e-02 1.963048e-01 0.000485 0.002166 True native_MD 7 262 278 C_AB42_29 N_AB42_32 1 1.171902e-03 2.313123e-06 ; 3.541750e-01 1.484308e-01 3.244958e-01 1.385752e-01 0.000485 0.002166 True native_MD 7 262 279 C_AB42_29 CA_AB42_32 1 3.384121e-03 2.131799e-05 ; 4.297508e-01 1.343029e-01 3.689961e-01 1.486514e-01 0.000485 0.001339 True native_MD 7 262 281 - C_AB42_29 CB_AB42_32 1 0.000000e+00 1.036911e-05 ; 3.423525e-01 -1.036911e-05 3.330053e-01 1.274593e-01 0.000485 0.000060 True native_MD 7 262 282 - C_AB42_29 CG1_AB42_32 1 0.000000e+00 5.647852e-06 ; 3.254508e-01 -5.647852e-06 2.243447e-01 1.160225e-01 0.000485 0.000060 True native_MD 7 262 283 - C_AB42_29 CG2_AB42_32 1 0.000000e+00 4.268888e-06 ; 3.179469e-01 -4.268888e-06 1.432403e-01 4.649533e-02 0.000485 0.000060 True native_MD 7 262 284 - C_AB42_29 CD_AB42_32 1 0.000000e+00 4.533871e-06 ; 3.195465e-01 -4.533871e-06 9.935226e-02 5.867512e-02 0.000485 0.000060 True native_MD 7 262 285 + C_AB42_29 CB_AB42_32 1 0.000000e+00 1.036905e-05 ; 3.423523e-01 -1.036905e-05 3.330053e-01 1.274593e-01 0.000485 0.000060 True native_MD 7 262 282 + C_AB42_29 CG1_AB42_32 1 0.000000e+00 5.647758e-06 ; 3.254503e-01 -5.647758e-06 2.243447e-01 1.160225e-01 0.000485 0.000060 True native_MD 7 262 283 + C_AB42_29 CG2_AB42_32 1 0.000000e+00 4.268832e-06 ; 3.179465e-01 -4.268832e-06 1.432403e-01 4.649533e-02 0.000485 0.000060 True native_MD 7 262 284 + C_AB42_29 CD_AB42_32 1 0.000000e+00 4.533812e-06 ; 3.195462e-01 -4.533812e-06 9.935226e-02 5.867512e-02 0.000485 0.000060 True native_MD 7 262 285 C_AB42_29 C_AB42_32 1 3.442139e-03 1.716383e-05 ; 4.133307e-01 1.725769e-01 1.324903e-01 2.746852e-02 0.000485 0.002166 True native_MD 7 262 286 C_AB42_29 O_AB42_32 1 5.481663e-04 6.258567e-07 ; 3.232911e-01 1.200300e-01 3.246637e-02 3.243625e-02 0.000485 0.002166 True native_MD 7 262 287 C_AB42_29 N_AB42_33 1 1.125139e-03 1.704829e-06 ; 3.389059e-01 1.856400e-01 2.422731e-01 3.397707e-02 0.000485 0.002166 True native_MD 7 262 288 @@ -47308,22 +47308,22 @@ ND2_AB42_27 O2_AB42_42 1 1.206374e-04 3.081594e-08 ; 2.518927e-01 1.180670 C_AB42_29 O_AB42_33 1 6.823576e-04 7.951634e-07 ; 3.243949e-01 1.463887e-01 6.354834e-03 2.884864e-03 0.000485 0.002166 True native_MD 7 262 292 C_AB42_29 N_AB42_34 1 1.321341e-03 2.849965e-06 ; 3.594491e-01 1.531547e-01 1.105747e-02 4.099554e-03 0.000485 0.002166 True native_MD 7 262 293 C_AB42_29 CA_AB42_34 1 2.948283e-03 1.597221e-05 ; 4.190823e-01 1.360545e-01 1.690484e-02 6.462388e-03 0.000485 0.001339 True native_MD 7 262 295 - C_AB42_29 CB_AB42_34 1 0.000000e+00 6.281396e-06 ; 3.283470e-01 -6.281396e-06 1.460507e-02 6.306154e-03 0.000485 0.000060 True native_MD 7 262 296 - C_AB42_29 CG_AB42_34 1 0.000000e+00 1.289629e-05 ; 3.486319e-01 -1.289629e-05 2.502420e-02 1.310458e-02 0.000485 0.000060 True native_MD 7 262 297 - C_AB42_29 CD1_AB42_34 1 0.000000e+00 4.697915e-06 ; 3.204944e-01 -4.697915e-06 1.909485e-02 1.312796e-02 0.000485 0.000060 True native_MD 7 262 298 - C_AB42_29 CD2_AB42_34 1 0.000000e+00 4.703836e-06 ; 3.205280e-01 -4.703836e-06 1.257162e-02 7.857543e-03 0.000485 0.000060 True native_MD 7 262 299 + C_AB42_29 CB_AB42_34 1 0.000000e+00 6.281291e-06 ; 3.283465e-01 -6.281291e-06 1.460507e-02 6.306154e-03 0.000485 0.000060 True native_MD 7 262 296 + C_AB42_29 CG_AB42_34 1 0.000000e+00 1.289622e-05 ; 3.486317e-01 -1.289622e-05 2.502420e-02 1.310458e-02 0.000485 0.000060 True native_MD 7 262 297 + C_AB42_29 CD1_AB42_34 1 0.000000e+00 4.697854e-06 ; 3.204940e-01 -4.697854e-06 1.909485e-02 1.312796e-02 0.000485 0.000060 True native_MD 7 262 298 + C_AB42_29 CD2_AB42_34 1 0.000000e+00 4.703775e-06 ; 3.205277e-01 -4.703775e-06 1.257162e-02 7.857543e-03 0.000485 0.000060 True native_MD 7 262 299 C_AB42_29 C_AB42_34 1 1.887545e-03 5.997466e-06 ; 3.834232e-01 1.485139e-01 5.084740e-03 1.872926e-03 0.000485 0.002166 True native_MD 7 262 300 C_AB42_29 O_AB42_34 1 4.571681e-04 4.146321e-07 ; 3.111223e-01 1.260169e-01 4.399216e-03 3.674194e-03 0.000485 0.002166 True native_MD 7 262 301 C_AB42_29 N_AB42_35 1 5.054892e-04 5.874558e-07 ; 3.242479e-01 1.087398e-01 1.546460e-03 1.034186e-03 0.000485 0.002166 True native_MD 7 262 302 C_AB42_29 CA_AB42_35 1 1.759737e-03 6.683408e-06 ; 3.949951e-01 1.158344e-01 5.728528e-03 4.010693e-03 0.000485 0.001339 True native_MD 7 262 304 - C_AB42_29 CB_AB42_35 1 0.000000e+00 6.322284e-06 ; 3.285246e-01 -6.322284e-06 6.958843e-03 5.115337e-03 0.000485 0.000060 True native_MD 7 262 305 - C_AB42_29 CG_AB42_35 1 0.000000e+00 6.310633e-06 ; 3.284741e-01 -6.310633e-06 9.416607e-03 5.733535e-03 0.000485 0.000060 True native_MD 7 262 306 + C_AB42_29 CB_AB42_35 1 0.000000e+00 6.322178e-06 ; 3.285241e-01 -6.322178e-06 6.958843e-03 5.115337e-03 0.000485 0.000060 True native_MD 7 262 305 + C_AB42_29 CG_AB42_35 1 0.000000e+00 6.310527e-06 ; 3.284736e-01 -6.310527e-06 9.416607e-03 5.733535e-03 0.000485 0.000060 True native_MD 7 262 306 C_AB42_29 SD_AB42_35 1 1.081438e-03 2.155978e-06 ; 3.547648e-01 1.356121e-01 9.471816e-03 5.936285e-03 0.000485 0.002166 True native_MD 7 262 307 - C_AB42_29 CE_AB42_35 1 0.000000e+00 4.700770e-06 ; 3.205106e-01 -4.700770e-06 1.307003e-02 7.707135e-03 0.000485 0.000060 True native_MD 7 262 308 + C_AB42_29 CE_AB42_35 1 0.000000e+00 4.700709e-06 ; 3.205103e-01 -4.700709e-06 1.307003e-02 7.707135e-03 0.000485 0.000060 True native_MD 7 262 308 C_AB42_29 CA_AB42_36 1 2.257591e-03 1.639248e-05 ; 4.400478e-01 7.772951e-02 6.223880e-04 1.362932e-03 0.000485 0.001339 True native_MD 7 262 313 - C_AB42_29 CB_AB42_36 1 0.000000e+00 1.303765e-05 ; 3.489487e-01 -1.303765e-05 4.040583e-03 2.951771e-03 0.000485 0.000060 True native_MD 7 262 314 - C_AB42_29 CG1_AB42_36 1 0.000000e+00 4.713154e-06 ; 3.205809e-01 -4.713154e-06 5.422149e-03 2.679509e-03 0.000485 0.000060 True native_MD 7 262 315 - C_AB42_29 CG2_AB42_36 1 0.000000e+00 4.720151e-06 ; 3.206205e-01 -4.720151e-06 4.637596e-03 3.375609e-03 0.000485 0.000060 True native_MD 7 262 316 + C_AB42_29 CB_AB42_36 1 0.000000e+00 1.303759e-05 ; 3.489486e-01 -1.303759e-05 4.040583e-03 2.951771e-03 0.000485 0.000060 True native_MD 7 262 314 + C_AB42_29 CG1_AB42_36 1 0.000000e+00 4.713092e-06 ; 3.205805e-01 -4.713092e-06 5.422149e-03 2.679509e-03 0.000485 0.000060 True native_MD 7 262 315 + C_AB42_29 CG2_AB42_36 1 0.000000e+00 4.720090e-06 ; 3.206202e-01 -4.720090e-06 4.637596e-03 3.375609e-03 0.000485 0.000060 True native_MD 7 262 316 C_AB42_29 C_AB42_36 1 1.774643e-03 8.663584e-06 ; 4.118741e-01 9.087917e-02 9.061701e-04 5.827766e-04 0.000485 0.002166 True native_MD 7 262 317 C_AB42_29 O_AB42_36 1 7.422959e-04 1.260088e-06 ; 3.453854e-01 1.093184e-01 1.573469e-03 4.714166e-04 0.000485 0.002166 True native_MD 7 262 318 C_AB42_29 CA_AB42_37 1 1.566545e-03 4.745731e-06 ; 3.803879e-01 1.292774e-01 4.255822e-03 2.357465e-03 0.000485 0.001584 True native_MD 7 262 321 @@ -47334,9 +47334,9 @@ ND2_AB42_27 O2_AB42_42 1 1.206374e-04 3.081594e-08 ; 2.518927e-01 1.180670 C_AB42_29 O_AB42_38 1 6.125001e-04 1.119698e-06 ; 3.496760e-01 8.376286e-02 7.323547e-04 9.012150e-04 0.000485 0.002166 True native_MD 7 262 328 C_AB42_29 N_AB42_39 1 9.898756e-04 2.210156e-06 ; 3.615267e-01 1.108354e-01 1.646546e-03 1.538929e-04 0.000485 0.002166 True native_MD 7 262 329 C_AB42_29 CA_AB42_39 1 2.716079e-03 1.453928e-05 ; 4.182475e-01 1.268475e-01 2.658757e-03 7.655538e-04 0.000485 0.001339 True native_MD 7 262 331 - C_AB42_29 CB_AB42_39 1 0.000000e+00 1.302405e-05 ; 3.489184e-01 -1.302405e-05 3.926341e-03 1.794956e-03 0.000485 0.000060 True native_MD 7 262 332 - C_AB42_29 CG1_AB42_39 1 0.000000e+00 4.713797e-06 ; 3.205845e-01 -4.713797e-06 4.513104e-03 1.906596e-03 0.000485 0.000060 True native_MD 7 262 333 - C_AB42_29 CG2_AB42_39 1 0.000000e+00 4.717803e-06 ; 3.206072e-01 -4.717803e-06 3.082771e-03 1.323974e-03 0.000485 0.000060 True native_MD 7 262 334 + C_AB42_29 CB_AB42_39 1 0.000000e+00 1.302398e-05 ; 3.489182e-01 -1.302398e-05 3.926341e-03 1.794956e-03 0.000485 0.000060 True native_MD 7 262 332 + C_AB42_29 CG1_AB42_39 1 0.000000e+00 4.713735e-06 ; 3.205842e-01 -4.713735e-06 4.513104e-03 1.906596e-03 0.000485 0.000060 True native_MD 7 262 333 + C_AB42_29 CG2_AB42_39 1 0.000000e+00 4.717742e-06 ; 3.206069e-01 -4.717742e-06 3.082771e-03 1.323974e-03 0.000485 0.000060 True native_MD 7 262 334 C_AB42_29 C_AB42_39 1 2.105194e-03 9.672207e-06 ; 4.077296e-01 1.145510e-01 1.840196e-03 1.209044e-04 0.000485 0.002166 True native_MD 7 262 335 C_AB42_29 O_AB42_39 1 5.351061e-04 5.685471e-07 ; 3.194389e-01 1.259080e-01 2.585045e-03 2.089439e-04 0.000485 0.002166 True native_MD 7 262 336 C_AB42_29 CA_AB42_40 1 4.738743e-03 2.627439e-05 ; 4.207055e-01 2.136652e-01 3.572885e-02 6.376793e-04 0.000485 0.001339 True native_MD 7 262 339 @@ -47349,24 +47349,24 @@ ND2_AB42_27 O2_AB42_42 1 1.206374e-04 3.081594e-08 ; 2.518927e-01 1.180670 C_AB42_29 CA_AB42_41 1 6.598273e-03 4.944956e-05 ; 4.423731e-01 2.201091e-01 4.332800e-02 4.576411e-04 0.000485 0.001339 True native_MD 7 262 347 C_AB42_29 CB_AB42_41 1 3.400322e-03 2.246371e-05 ; 4.331719e-01 1.286763e-01 5.014128e-02 1.066186e-03 0.000485 0.000060 True native_MD 7 262 348 C_AB42_29 CG1_AB42_41 1 1.121484e-03 3.684190e-06 ; 3.855596e-01 8.534616e-02 1.525773e-02 1.186518e-03 0.000485 0.000060 True native_MD 7 262 349 - C_AB42_29 CG2_AB42_41 1 0.000000e+00 4.684445e-06 ; 3.204177e-01 -4.684445e-06 1.018640e-02 1.369235e-03 0.000485 0.000060 True native_MD 7 262 350 - C_AB42_29 CD_AB42_41 1 0.000000e+00 4.665100e-06 ; 3.203072e-01 -4.665100e-06 1.478140e-02 1.871163e-03 0.000485 0.000060 True native_MD 7 262 351 + C_AB42_29 CG2_AB42_41 1 0.000000e+00 4.684384e-06 ; 3.204174e-01 -4.684384e-06 1.018640e-02 1.369235e-03 0.000485 0.000060 True native_MD 7 262 350 + C_AB42_29 CD_AB42_41 1 0.000000e+00 4.665039e-06 ; 3.203069e-01 -4.665039e-06 1.478140e-02 1.871163e-03 0.000485 0.000060 True native_MD 7 262 351 C_AB42_29 C_AB42_41 1 3.190503e-03 1.349006e-05 ; 4.021232e-01 1.886447e-01 1.689801e-02 5.487397e-05 0.000485 0.002166 True native_MD 7 262 352 C_AB42_29 O_AB42_41 1 1.097135e-03 1.356518e-06 ; 3.276129e-01 2.218372e-01 4.562754e-02 1.703876e-04 0.000485 0.002166 True native_MD 7 262 353 C_AB42_29 N_AB42_42 1 8.989242e-04 1.816938e-06 ; 3.555791e-01 1.111850e-01 1.663862e-03 6.489356e-05 0.000485 0.002166 True native_MD 7 262 354 C_AB42_29 CA_AB42_42 1 2.228225e-03 7.501422e-06 ; 3.871365e-01 1.654682e-01 9.090780e-03 1.441132e-03 0.000485 0.001339 True native_MD 7 262 356 - C_AB42_29 CB_AB42_42 1 0.000000e+00 4.696049e-06 ; 3.204838e-01 -4.696049e-06 7.531305e-03 1.169424e-03 0.000485 0.000060 True native_MD 7 262 357 + C_AB42_29 CB_AB42_42 1 0.000000e+00 4.695987e-06 ; 3.204834e-01 -4.695987e-06 7.531305e-03 1.169424e-03 0.000485 0.000060 True native_MD 7 262 357 C_AB42_29 C_AB42_42 1 1.364082e-03 4.606084e-06 ; 3.873307e-01 1.009925e-01 1.226447e-03 4.924529e-04 0.000485 0.002166 True native_MD 7 262 358 C_AB42_29 O1_AB42_42 1 3.762282e-04 4.366224e-07 ; 3.241722e-01 8.104696e-02 6.751866e-04 4.488289e-04 0.000485 0.002166 True native_MD 7 262 359 C_AB42_29 O2_AB42_42 1 3.762282e-04 4.366224e-07 ; 3.241722e-01 8.104696e-02 6.751866e-04 4.488289e-04 0.000485 0.002166 True native_MD 7 262 360 O_AB42_29 O_AB42_29 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 263 O_AB42_29 H_AB42_30 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 265 O_AB42_29 CB_AB42_30 1 0.000000e+00 1.503532e-06 ; 2.914659e-01 -1.503532e-06 9.999989e-01 9.996931e-01 0.000485 0.000060 True native_MD 4 263 267 - O_AB42_29 C_AB42_30 1 0.000000e+00 8.217123e-07 ; 2.771543e-01 -8.217123e-07 9.998286e-01 9.935034e-01 0.000485 0.000060 True native_MD 4 263 268 + O_AB42_29 C_AB42_30 1 0.000000e+00 8.217085e-07 ; 2.771542e-01 -8.217085e-07 9.998286e-01 9.935034e-01 0.000485 0.000060 True native_MD 4 263 268 O_AB42_29 O_AB42_30 1 0.000000e+00 1.341103e-06 ; 2.887023e-01 -1.341103e-06 9.192907e-01 8.133593e-01 0.000485 0.000060 True native_MD 5 263 269 O_AB42_29 N_AB42_31 1 0.000000e+00 1.446852e-06 ; 2.905340e-01 -1.446852e-06 9.256742e-01 8.902424e-01 0.000485 0.000060 True native_MD 5 263 270 - O_AB42_29 H_AB42_31 1 0.000000e+00 1.556801e-08 ; 1.991504e-01 -1.556801e-08 2.180595e-01 2.213984e-01 0.000485 0.000060 True native_MD 6 263 271 - O_AB42_29 CA_AB42_31 1 0.000000e+00 3.877149e-06 ; 3.154068e-01 -3.877149e-06 7.118399e-01 6.453066e-01 0.000485 0.000060 True native_MD 6 263 272 + O_AB42_29 H_AB42_31 1 0.000000e+00 1.556825e-08 ; 1.991506e-01 -1.556825e-08 2.180595e-01 2.213984e-01 0.000485 0.000060 True native_MD 6 263 271 + O_AB42_29 CA_AB42_31 1 0.000000e+00 3.877180e-06 ; 3.154070e-01 -3.877180e-06 7.118399e-01 6.453066e-01 0.000485 0.000060 True native_MD 6 263 272 O_AB42_29 CB_AB42_31 1 1.615329e-03 5.912808e-06 ; 3.925745e-01 1.103236e-01 2.608902e-01 1.915517e-01 0.000485 0.001191 True native_MD 7 263 273 O_AB42_29 CG1_AB42_31 1 5.792220e-04 7.916806e-07 ; 3.331329e-01 1.059449e-01 1.657050e-01 1.386983e-01 0.000485 0.001191 True native_MD 7 263 274 O_AB42_29 CG2_AB42_31 1 6.825382e-04 9.792872e-07 ; 3.358385e-01 1.189279e-01 1.350635e-01 7.665452e-02 0.000485 0.001191 True native_MD 7 263 275 @@ -47450,20 +47450,20 @@ ND2_AB42_27 O2_AB42_42 1 1.206374e-04 3.081594e-08 ; 2.518927e-01 1.180670 O_AB42_29 CB_AB42_42 1 5.894460e-04 6.017811e-07 ; 3.173212e-01 1.443409e-01 4.487811e-03 9.779090e-04 0.000485 0.001191 True native_MD 7 263 357 O_AB42_29 O1_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 359 O_AB42_29 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 360 - N_AB42_30 CB_AB42_30 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 267 - N_AB42_30 CA_AB42_31 1 0.000000e+00 7.574780e-06 ; 3.335102e-01 -7.574780e-06 1.000000e+00 9.999716e-01 0.000485 0.000060 True native_MD 4 264 272 - N_AB42_30 CB_AB42_31 1 0.000000e+00 9.224554e-06 ; 3.390318e-01 -9.224554e-06 4.870629e-01 7.048267e-01 0.000485 0.000060 True native_MD 5 264 273 - N_AB42_30 CG1_AB42_31 1 0.000000e+00 4.387803e-06 ; 3.186757e-01 -4.387803e-06 1.991006e-01 3.927092e-01 0.000485 0.000060 True native_MD 6 264 274 - N_AB42_30 CG2_AB42_31 1 0.000000e+00 2.749811e-06 ; 3.065045e-01 -2.749811e-06 1.247983e-01 1.273085e-01 0.000485 0.000060 True native_MD 6 264 275 - N_AB42_30 CD_AB42_31 1 0.000000e+00 2.722404e-06 ; 3.062488e-01 -2.722404e-06 2.454456e-02 1.706275e-02 0.000485 0.000060 True native_MD 7 264 276 - N_AB42_30 C_AB42_31 1 0.000000e+00 1.582400e-06 ; 2.927103e-01 -1.582400e-06 8.909928e-02 1.383329e-01 0.000485 0.000060 True native_MD 5 264 277 + N_AB42_30 CB_AB42_30 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 267 + N_AB42_30 CA_AB42_31 1 0.000000e+00 7.574768e-06 ; 3.335102e-01 -7.574768e-06 1.000000e+00 9.999716e-01 0.000485 0.000060 True native_MD 4 264 272 + N_AB42_30 CB_AB42_31 1 0.000000e+00 9.224540e-06 ; 3.390318e-01 -9.224540e-06 4.870629e-01 7.048267e-01 0.000485 0.000060 True native_MD 5 264 273 + N_AB42_30 CG1_AB42_31 1 0.000000e+00 4.387745e-06 ; 3.186753e-01 -4.387745e-06 1.991006e-01 3.927092e-01 0.000485 0.000060 True native_MD 6 264 274 + N_AB42_30 CG2_AB42_31 1 0.000000e+00 2.749785e-06 ; 3.065043e-01 -2.749785e-06 1.247983e-01 1.273085e-01 0.000485 0.000060 True native_MD 6 264 275 + N_AB42_30 CD_AB42_31 1 0.000000e+00 2.722378e-06 ; 3.062485e-01 -2.722378e-06 2.454456e-02 1.706275e-02 0.000485 0.000060 True native_MD 7 264 276 + N_AB42_30 C_AB42_31 1 0.000000e+00 1.582378e-06 ; 2.927100e-01 -1.582378e-06 8.909928e-02 1.383329e-01 0.000485 0.000060 True native_MD 5 264 277 N_AB42_30 O_AB42_31 1 0.000000e+00 1.799516e-06 ; 2.958634e-01 -1.799516e-06 2.949649e-02 2.291739e-01 0.000485 0.000060 True native_MD 6 264 278 - N_AB42_30 N_AB42_32 1 0.000000e+00 7.796884e-07 ; 2.759445e-01 -7.796884e-07 1.666146e-01 5.738773e-02 0.000485 0.000060 True native_MD 6 264 279 + N_AB42_30 N_AB42_32 1 0.000000e+00 7.796802e-07 ; 2.759443e-01 -7.796802e-07 1.666146e-01 5.738773e-02 0.000485 0.000060 True native_MD 6 264 279 N_AB42_30 CA_AB42_32 1 6.082768e-03 6.103130e-05 ; 4.644175e-01 1.515619e-01 1.001118e-01 2.406187e-02 0.000485 0.001339 True native_MD 7 264 281 - N_AB42_30 CB_AB42_32 1 0.000000e+00 7.179599e-06 ; 3.320244e-01 -7.179599e-06 6.943894e-02 1.724149e-02 0.000485 0.000060 True native_MD 7 264 282 - N_AB42_30 CG1_AB42_32 1 0.000000e+00 3.580320e-06 ; 3.133203e-01 -3.580320e-06 5.422418e-02 2.817422e-02 0.000485 0.000060 True native_MD 7 264 283 - N_AB42_30 CG2_AB42_32 1 0.000000e+00 2.659922e-06 ; 3.056568e-01 -2.659922e-06 3.820520e-02 7.944150e-03 0.000485 0.000060 True native_MD 7 264 284 - N_AB42_30 CD_AB42_32 1 0.000000e+00 2.729405e-06 ; 3.063143e-01 -2.729405e-06 8.855058e-03 3.925742e-03 0.000485 0.000060 True native_MD 7 264 285 + N_AB42_30 CB_AB42_32 1 0.000000e+00 7.179588e-06 ; 3.320244e-01 -7.179588e-06 6.943894e-02 1.724149e-02 0.000485 0.000060 True native_MD 7 264 282 + N_AB42_30 CG1_AB42_32 1 0.000000e+00 3.580273e-06 ; 3.133199e-01 -3.580273e-06 5.422418e-02 2.817422e-02 0.000485 0.000060 True native_MD 7 264 283 + N_AB42_30 CG2_AB42_32 1 0.000000e+00 2.659897e-06 ; 3.056566e-01 -2.659897e-06 3.820520e-02 7.944150e-03 0.000485 0.000060 True native_MD 7 264 284 + N_AB42_30 CD_AB42_32 1 0.000000e+00 2.729380e-06 ; 3.063141e-01 -2.729380e-06 8.855058e-03 3.925742e-03 0.000485 0.000060 True native_MD 7 264 285 N_AB42_30 C_AB42_32 1 1.988655e-03 7.881944e-06 ; 3.978130e-01 1.254370e-01 2.548862e-03 7.496778e-04 0.000485 0.002166 True native_MD 7 264 286 N_AB42_30 O_AB42_32 1 5.291483e-04 5.308710e-07 ; 3.163991e-01 1.318578e-01 2.038174e-02 1.429296e-02 0.000485 0.002166 True native_MD 7 264 287 N_AB42_30 N_AB42_33 1 9.575651e-04 2.474616e-06 ; 3.704446e-01 9.263364e-02 4.984426e-02 3.116640e-03 0.000485 0.000060 True native_MD 7 264 288 @@ -47472,26 +47472,26 @@ ND2_AB42_27 O2_AB42_42 1 1.206374e-04 3.081594e-08 ; 2.518927e-01 1.180670 N_AB42_30 O_AB42_33 1 1.318386e-04 2.762240e-08 ; 2.437080e-01 1.573127e-01 6.616429e-03 1.399053e-03 0.000485 0.002166 True native_MD 7 264 292 N_AB42_30 N_AB42_34 1 6.384248e-04 7.030840e-07 ; 3.213534e-01 1.449280e-01 4.567353e-03 5.695442e-05 0.000485 0.000060 True native_MD 7 264 293 N_AB42_30 CA_AB42_34 1 2.325822e-03 7.889202e-06 ; 3.876229e-01 1.714194e-01 1.009169e-02 7.949378e-04 0.000485 0.001339 True native_MD 7 264 295 - N_AB42_30 CB_AB42_34 1 0.000000e+00 3.644607e-06 ; 3.137853e-01 -3.644607e-06 9.889325e-03 1.327212e-03 0.000485 0.000060 True native_MD 7 264 296 - N_AB42_30 CG_AB42_34 1 0.000000e+00 7.477359e-06 ; 3.331507e-01 -7.477359e-06 1.652510e-02 3.635937e-03 0.000485 0.000060 True native_MD 7 264 297 - N_AB42_30 CD1_AB42_34 1 0.000000e+00 2.722220e-06 ; 3.062471e-01 -2.722220e-06 1.312708e-02 5.578179e-03 0.000485 0.000060 True native_MD 7 264 298 - N_AB42_30 CD2_AB42_34 1 0.000000e+00 2.733679e-06 ; 3.063543e-01 -2.733679e-06 6.028016e-03 2.656583e-03 0.000485 0.000060 True native_MD 7 264 299 + N_AB42_30 CB_AB42_34 1 0.000000e+00 3.644559e-06 ; 3.137849e-01 -3.644559e-06 9.889325e-03 1.327212e-03 0.000485 0.000060 True native_MD 7 264 296 + N_AB42_30 CG_AB42_34 1 0.000000e+00 7.477348e-06 ; 3.331506e-01 -7.477348e-06 1.652510e-02 3.635937e-03 0.000485 0.000060 True native_MD 7 264 297 + N_AB42_30 CD1_AB42_34 1 0.000000e+00 2.722194e-06 ; 3.062468e-01 -2.722194e-06 1.312708e-02 5.578179e-03 0.000485 0.000060 True native_MD 7 264 298 + N_AB42_30 CD2_AB42_34 1 0.000000e+00 2.733653e-06 ; 3.063540e-01 -2.733653e-06 6.028016e-03 2.656583e-03 0.000485 0.000060 True native_MD 7 264 299 N_AB42_30 C_AB42_34 1 6.274943e-04 8.553223e-07 ; 3.329814e-01 1.150880e-01 1.870007e-03 9.932712e-05 0.000485 0.002166 True native_MD 7 264 300 N_AB42_30 O_AB42_34 1 1.505092e-04 4.302583e-08 ; 2.566617e-01 1.316245e-01 3.067350e-03 1.772306e-03 0.000485 0.002166 True native_MD 7 264 301 N_AB42_30 N_AB42_35 1 8.328063e-04 2.130188e-06 ; 3.698103e-01 8.139733e-02 6.823033e-04 1.542513e-05 0.000485 0.000060 True native_MD 7 264 302 N_AB42_30 CA_AB42_35 1 1.868013e-03 6.568269e-06 ; 3.899526e-01 1.328156e-01 3.178654e-03 5.831176e-04 0.000485 0.001339 True native_MD 7 264 304 - N_AB42_30 CB_AB42_35 1 0.000000e+00 3.666888e-06 ; 3.139447e-01 -3.666888e-06 3.640737e-03 1.139924e-03 0.000485 0.000060 True native_MD 7 264 305 - N_AB42_30 CG_AB42_35 1 0.000000e+00 3.661905e-06 ; 3.139091e-01 -3.661905e-06 5.018908e-03 1.162414e-03 0.000485 0.000060 True native_MD 7 264 306 + N_AB42_30 CB_AB42_35 1 0.000000e+00 3.666840e-06 ; 3.139443e-01 -3.666840e-06 3.640737e-03 1.139924e-03 0.000485 0.000060 True native_MD 7 264 305 + N_AB42_30 CG_AB42_35 1 0.000000e+00 3.661857e-06 ; 3.139088e-01 -3.661857e-06 5.018908e-03 1.162414e-03 0.000485 0.000060 True native_MD 7 264 306 N_AB42_30 SD_AB42_35 1 9.835717e-04 1.580797e-06 ; 3.422512e-01 1.529946e-01 5.814373e-03 1.586733e-03 0.000485 0.002166 True native_MD 7 264 307 - N_AB42_30 CE_AB42_35 1 0.000000e+00 2.726403e-06 ; 3.062863e-01 -2.726403e-06 8.369371e-03 2.345565e-03 0.000485 0.000060 True native_MD 7 264 308 + N_AB42_30 CE_AB42_35 1 0.000000e+00 2.726378e-06 ; 3.062860e-01 -2.726378e-06 8.369371e-03 2.345565e-03 0.000485 0.000060 True native_MD 7 264 308 N_AB42_30 N_AB42_36 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 6.885715e-05 2.240000e-06 0.000485 0.000060 True native_MD 7 264 311 N_AB42_30 CA_AB42_36 1 7.379161e-04 1.840630e-06 ; 3.682646e-01 7.395838e-02 5.461298e-04 3.428318e-04 0.000485 0.001339 True native_MD 7 264 313 - N_AB42_30 CB_AB42_36 1 0.000000e+00 7.568983e-06 ; 3.334890e-01 -7.568983e-06 1.517305e-03 7.237074e-04 0.000485 0.000060 True native_MD 7 264 314 - N_AB42_30 CG1_AB42_36 1 0.000000e+00 2.740370e-06 ; 3.064167e-01 -2.740370e-06 1.890660e-03 9.587395e-04 0.000485 0.000060 True native_MD 7 264 315 - N_AB42_30 CG2_AB42_36 1 0.000000e+00 2.742342e-06 ; 3.064351e-01 -2.742342e-06 1.276595e-03 1.063808e-03 0.000485 0.000060 True native_MD 7 264 316 + N_AB42_30 CB_AB42_36 1 0.000000e+00 7.568971e-06 ; 3.334889e-01 -7.568971e-06 1.517305e-03 7.237074e-04 0.000485 0.000060 True native_MD 7 264 314 + N_AB42_30 CG1_AB42_36 1 0.000000e+00 2.740344e-06 ; 3.064165e-01 -2.740344e-06 1.890660e-03 9.587395e-04 0.000485 0.000060 True native_MD 7 264 315 + N_AB42_30 CG2_AB42_36 1 0.000000e+00 2.742317e-06 ; 3.064348e-01 -2.742317e-06 1.276595e-03 1.063808e-03 0.000485 0.000060 True native_MD 7 264 316 N_AB42_30 C_AB42_36 1 5.569990e-04 1.062235e-06 ; 3.521500e-01 7.301773e-02 5.309707e-04 5.575101e-05 0.000485 0.002166 True native_MD 7 264 317 N_AB42_30 O_AB42_36 1 2.067837e-04 8.240438e-08 ; 2.712724e-01 1.297247e-01 2.897821e-03 2.338613e-04 0.000485 0.002166 True native_MD 7 264 318 - N_AB42_30 N_AB42_37 1 0.000000e+00 8.749589e-07 ; 2.786082e-01 -8.749589e-07 5.195704e-04 1.367182e-04 0.000485 0.000060 True native_MD 7 264 319 + N_AB42_30 N_AB42_37 1 0.000000e+00 8.749497e-07 ; 2.786080e-01 -8.749497e-07 5.195704e-04 1.367182e-04 0.000485 0.000060 True native_MD 7 264 319 N_AB42_30 CA_AB42_37 1 1.217920e-03 3.129956e-06 ; 3.701007e-01 1.184784e-01 2.069703e-03 6.884815e-04 0.000485 0.001584 True native_MD 7 264 321 N_AB42_30 C_AB42_37 1 7.527346e-04 1.417848e-06 ; 3.514239e-01 9.990658e-02 1.187233e-03 9.146324e-05 0.000485 0.002166 True native_MD 7 264 322 N_AB42_30 O_AB42_37 1 3.075149e-04 3.051333e-07 ; 3.158183e-01 7.747880e-02 6.068057e-04 4.952004e-04 0.000485 0.002166 True native_MD 7 264 323 @@ -47501,9 +47501,9 @@ ND2_AB42_27 O2_AB42_42 1 1.206374e-04 3.081594e-08 ; 2.518927e-01 1.180670 N_AB42_30 O_AB42_38 1 4.677911e-04 4.832965e-07 ; 3.179511e-01 1.131958e-01 1.767061e-03 4.674164e-04 0.000485 0.002166 True native_MD 7 264 328 N_AB42_30 N_AB42_39 1 9.421515e-04 2.218993e-06 ; 3.647589e-01 1.000059e-01 1.190766e-03 4.400071e-05 0.000485 0.000060 True native_MD 7 264 329 N_AB42_30 CA_AB42_39 1 2.205746e-03 1.033998e-05 ; 4.090980e-01 1.176336e-01 2.018030e-03 2.819154e-04 0.000485 0.001339 True native_MD 7 264 331 - N_AB42_30 CB_AB42_39 1 0.000000e+00 7.563363e-06 ; 3.334683e-01 -7.563363e-06 2.024052e-03 4.885056e-04 0.000485 0.000060 True native_MD 7 264 332 - N_AB42_30 CG1_AB42_39 1 0.000000e+00 2.740494e-06 ; 3.064179e-01 -2.740494e-06 1.724950e-03 8.381640e-04 0.000485 0.000060 True native_MD 7 264 333 - N_AB42_30 CG2_AB42_39 1 0.000000e+00 2.739366e-06 ; 3.064073e-01 -2.739366e-06 1.981473e-03 6.835752e-04 0.000485 0.000060 True native_MD 7 264 334 + N_AB42_30 CB_AB42_39 1 0.000000e+00 7.563351e-06 ; 3.334683e-01 -7.563351e-06 2.024052e-03 4.885056e-04 0.000485 0.000060 True native_MD 7 264 332 + N_AB42_30 CG1_AB42_39 1 0.000000e+00 2.740468e-06 ; 3.064176e-01 -2.740468e-06 1.724950e-03 8.381640e-04 0.000485 0.000060 True native_MD 7 264 333 + N_AB42_30 CG2_AB42_39 1 0.000000e+00 2.739340e-06 ; 3.064071e-01 -2.739340e-06 1.981473e-03 6.835752e-04 0.000485 0.000060 True native_MD 7 264 334 N_AB42_30 C_AB42_39 1 6.118227e-04 9.066747e-07 ; 3.376533e-01 1.032143e-01 1.310765e-03 9.486896e-05 0.000485 0.002166 True native_MD 7 264 335 N_AB42_30 O_AB42_39 1 1.167700e-04 2.858976e-08 ; 2.501189e-01 1.192318e-01 2.116893e-03 2.412612e-04 0.000485 0.002166 True native_MD 7 264 336 N_AB42_30 N_AB42_40 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 3.702546e-04 4.479002e-05 0.000485 0.000060 True native_MD 7 264 337 @@ -47528,7 +47528,7 @@ ND2_AB42_27 O2_AB42_42 1 1.206374e-04 3.081594e-08 ; 2.518927e-01 1.180670 N_AB42_30 O1_AB42_42 1 1.184375e-04 3.363463e-08 ; 2.563793e-01 1.042634e-01 1.352570e-03 1.866474e-04 0.000485 0.002166 True native_MD 7 264 359 N_AB42_30 O2_AB42_42 1 1.184375e-04 3.363463e-08 ; 2.563793e-01 1.042634e-01 1.352570e-03 1.866474e-04 0.000485 0.002166 True native_MD 7 264 360 H_AB42_30 H_AB42_30 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 265 265 - H_AB42_30 O_AB42_30 1 0.000000e+00 1.413506e-08 ; 1.975543e-01 -1.413506e-08 2.887371e-01 1.997242e-01 0.000485 0.000060 True native_MD 4 265 269 + H_AB42_30 O_AB42_30 1 0.000000e+00 1.413528e-08 ; 1.975546e-01 -1.413528e-08 2.887371e-01 1.997242e-01 0.000485 0.000060 True native_MD 4 265 269 H_AB42_30 H_AB42_31 1 0.000000e+00 1.502213e-08 ; 1.985589e-01 -1.502213e-08 3.874318e-01 6.392762e-01 0.000485 0.000060 True native_MD 5 265 271 H_AB42_30 O_AB42_31 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 265 278 H_AB42_30 H_AB42_32 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 265 280 @@ -47554,14 +47554,14 @@ ND2_AB42_27 O2_AB42_42 1 1.206374e-04 3.081594e-08 ; 2.518927e-01 1.180670 H_AB42_30 H_AB42_42 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 265 355 H_AB42_30 O1_AB42_42 1 4.405888e-06 6.214236e-11 ; 1.554387e-01 7.809426e-02 6.180855e-04 0.000000e+00 0.000485 0.005316 True native_MD 7 265 359 H_AB42_30 O2_AB42_42 1 4.405888e-06 6.214236e-11 ; 1.554387e-01 7.809426e-02 6.180855e-04 0.000000e+00 0.000485 0.005316 True native_MD 7 265 360 - CA_AB42_30 CB_AB42_31 1 0.000000e+00 6.555575e-05 ; 3.992203e-01 -6.555575e-05 9.999999e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 266 273 - CA_AB42_30 CG1_AB42_31 1 0.000000e+00 3.530901e-05 ; 3.791567e-01 -3.530901e-05 7.891054e-01 8.989750e-01 0.000485 0.000060 True native_MD 5 266 274 - CA_AB42_30 CG2_AB42_31 1 0.000000e+00 2.289957e-05 ; 3.657188e-01 -2.289957e-05 5.968046e-01 5.614880e-01 0.000485 0.000060 True native_MD 5 266 275 - CA_AB42_30 CD_AB42_31 1 0.000000e+00 2.345810e-05 ; 3.664539e-01 -2.345810e-05 2.625437e-01 2.507561e-01 0.000485 0.000060 True native_MD 6 266 276 - CA_AB42_30 C_AB42_31 1 0.000000e+00 1.305189e-05 ; 3.489805e-01 -1.305189e-05 9.999979e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 266 277 - CA_AB42_30 O_AB42_31 1 0.000000e+00 5.373931e-06 ; 3.241052e-01 -5.373931e-06 2.826197e-01 5.764533e-01 0.000485 0.000060 True native_MD 5 266 278 - CA_AB42_30 N_AB42_32 1 0.000000e+00 5.355776e-06 ; 3.240138e-01 -5.355776e-06 8.529765e-01 5.600101e-01 0.000485 0.000060 True native_MD 5 266 279 - CA_AB42_30 CA_AB42_32 1 0.000000e+00 4.521830e-05 ; 3.870537e-01 -4.521830e-05 8.606999e-01 5.504687e-01 0.000485 0.000060 True native_MD 6 266 281 + CA_AB42_30 CB_AB42_31 1 0.000000e+00 6.555623e-05 ; 3.992205e-01 -6.555623e-05 9.999999e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 266 273 + CA_AB42_30 CG1_AB42_31 1 0.000000e+00 3.530886e-05 ; 3.791566e-01 -3.530886e-05 7.891054e-01 8.989750e-01 0.000485 0.000060 True native_MD 5 266 274 + CA_AB42_30 CG2_AB42_31 1 0.000000e+00 2.289956e-05 ; 3.657188e-01 -2.289956e-05 5.968046e-01 5.614880e-01 0.000485 0.000060 True native_MD 5 266 275 + CA_AB42_30 CD_AB42_31 1 0.000000e+00 2.345809e-05 ; 3.664539e-01 -2.345809e-05 2.625437e-01 2.507561e-01 0.000485 0.000060 True native_MD 6 266 276 + CA_AB42_30 C_AB42_31 1 0.000000e+00 1.305182e-05 ; 3.489803e-01 -1.305182e-05 9.999979e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 266 277 + CA_AB42_30 O_AB42_31 1 0.000000e+00 5.373973e-06 ; 3.241054e-01 -5.373973e-06 2.826197e-01 5.764533e-01 0.000485 0.000060 True native_MD 5 266 278 + CA_AB42_30 N_AB42_32 1 0.000000e+00 5.355767e-06 ; 3.240138e-01 -5.355767e-06 8.529765e-01 5.600101e-01 0.000485 0.000060 True native_MD 5 266 279 + CA_AB42_30 CA_AB42_32 1 0.000000e+00 4.521864e-05 ; 3.870539e-01 -4.521864e-05 8.606999e-01 5.504687e-01 0.000485 0.000060 True native_MD 6 266 281 CA_AB42_30 CB_AB42_32 1 9.200670e-03 1.832867e-04 ; 5.206572e-01 1.154644e-01 6.323708e-01 2.951287e-01 0.000485 0.000883 True native_MD 7 266 282 CA_AB42_30 CG1_AB42_32 1 4.188881e-03 4.027622e-05 ; 4.611318e-01 1.089149e-01 3.477038e-01 2.283441e-01 0.000485 0.001021 True native_MD 7 266 283 CA_AB42_30 CG2_AB42_32 1 4.670580e-03 3.753320e-05 ; 4.475492e-01 1.453002e-01 2.436255e-01 1.019372e-01 0.000485 0.001932 True native_MD 7 266 284 @@ -47631,67 +47631,67 @@ ND2_AB42_27 O2_AB42_42 1 1.206374e-04 3.081594e-08 ; 2.518927e-01 1.180670 CA_AB42_30 C_AB42_42 1 3.665437e-03 2.367608e-05 ; 4.315496e-01 1.418671e-01 4.167571e-03 8.249411e-04 0.000485 0.001339 True native_MD 7 266 358 CA_AB42_30 O1_AB42_42 1 4.113208e-04 4.031866e-07 ; 3.151768e-01 1.049048e-01 1.378782e-03 6.198247e-04 0.000485 0.001339 True native_MD 7 266 359 CA_AB42_30 O2_AB42_42 1 4.113208e-04 4.031866e-07 ; 3.151768e-01 1.049048e-01 1.378782e-03 6.198247e-04 0.000485 0.001339 True native_MD 7 266 360 - CB_AB42_30 C_AB42_30 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 267 268 + CB_AB42_30 C_AB42_30 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 267 268 CB_AB42_30 O_AB42_30 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 267 269 - CB_AB42_30 N_AB42_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 267 270 - CB_AB42_30 CA_AB42_31 1 0.000000e+00 2.373782e-05 ; 3.668161e-01 -2.373782e-05 1.000000e+00 9.999960e-01 0.000485 0.000060 True native_MD 4 267 272 - CB_AB42_30 CB_AB42_31 1 0.000000e+00 2.259966e-05 ; 3.653172e-01 -2.259966e-05 8.785223e-01 8.305717e-01 0.000485 0.000060 True native_MD 5 267 273 - CB_AB42_30 CG1_AB42_31 1 0.000000e+00 1.242940e-05 ; 3.475622e-01 -1.242940e-05 3.077044e-01 3.866635e-01 0.000485 0.000060 True native_MD 6 267 274 - CB_AB42_30 CG2_AB42_31 1 0.000000e+00 8.755138e-06 ; 3.375594e-01 -8.755138e-06 1.883952e-01 2.069601e-01 0.000485 0.000060 True native_MD 6 267 275 + CB_AB42_30 N_AB42_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 267 270 + CB_AB42_30 CA_AB42_31 1 0.000000e+00 2.373780e-05 ; 3.668161e-01 -2.373780e-05 1.000000e+00 9.999960e-01 0.000485 0.000060 True native_MD 4 267 272 + CB_AB42_30 CB_AB42_31 1 0.000000e+00 2.259965e-05 ; 3.653172e-01 -2.259965e-05 8.785223e-01 8.305717e-01 0.000485 0.000060 True native_MD 5 267 273 + CB_AB42_30 CG1_AB42_31 1 0.000000e+00 1.242925e-05 ; 3.475618e-01 -1.242925e-05 3.077044e-01 3.866635e-01 0.000485 0.000060 True native_MD 6 267 274 + CB_AB42_30 CG2_AB42_31 1 0.000000e+00 8.755064e-06 ; 3.375592e-01 -8.755064e-06 1.883952e-01 2.069601e-01 0.000485 0.000060 True native_MD 6 267 275 CB_AB42_30 CD_AB42_31 1 2.320570e-03 8.370030e-06 ; 3.916115e-01 1.608431e-01 9.534829e-02 6.890931e-02 0.000485 0.005315 True native_MD 7 267 276 - CB_AB42_30 C_AB42_31 1 0.000000e+00 3.637202e-06 ; 3.137321e-01 -3.637202e-06 4.573671e-01 2.269636e-01 0.000485 0.000060 True native_MD 5 267 277 + CB_AB42_30 C_AB42_31 1 0.000000e+00 3.637155e-06 ; 3.137318e-01 -3.637155e-06 4.573671e-01 2.269636e-01 0.000485 0.000060 True native_MD 5 267 277 CB_AB42_30 O_AB42_31 1 0.000000e+00 1.507468e-06 ; 2.915294e-01 -1.507468e-06 7.587526e-02 7.818637e-02 0.000485 0.000060 True native_MD 6 267 278 - CB_AB42_30 N_AB42_32 1 0.000000e+00 2.165608e-06 ; 3.004646e-01 -2.165608e-06 3.139773e-01 1.035022e-01 0.000485 0.000060 True native_MD 6 267 279 + CB_AB42_30 N_AB42_32 1 0.000000e+00 2.165588e-06 ; 3.004644e-01 -2.165588e-06 3.139773e-01 1.035022e-01 0.000485 0.000060 True native_MD 6 267 279 CB_AB42_30 CA_AB42_32 1 5.845275e-03 5.644595e-05 ; 4.614642e-01 1.513272e-01 3.246238e-01 1.134118e-01 0.000485 0.001932 True native_MD 7 267 281 CB_AB42_30 CB_AB42_32 1 5.351380e-03 4.579435e-05 ; 4.522630e-01 1.563363e-01 2.709456e-01 8.148157e-02 0.000485 0.001932 True native_MD 7 267 282 CB_AB42_30 CG1_AB42_32 1 1.521421e-03 3.799992e-06 ; 3.683456e-01 1.522847e-01 1.815031e-01 7.435877e-02 0.000485 0.002332 True native_MD 7 267 283 CB_AB42_30 CG2_AB42_32 1 2.063017e-03 5.276491e-06 ; 3.698058e-01 2.016509e-01 1.430115e-01 3.047681e-02 0.000485 0.005315 True native_MD 7 267 284 CB_AB42_30 CD_AB42_32 1 1.747969e-03 4.091133e-06 ; 3.643776e-01 1.867084e-01 1.224492e-01 4.080917e-02 0.000485 0.005315 True native_MD 7 267 285 - CB_AB42_30 C_AB42_32 1 0.000000e+00 4.544129e-06 ; 3.196067e-01 -4.544129e-06 8.021794e-02 4.171126e-02 0.000485 0.000060 True native_MD 7 267 286 + CB_AB42_30 C_AB42_32 1 0.000000e+00 4.544069e-06 ; 3.196064e-01 -4.544069e-06 8.021794e-02 4.171126e-02 0.000485 0.000060 True native_MD 7 267 286 CB_AB42_30 O_AB42_32 1 5.170860e-04 5.350612e-07 ; 3.180339e-01 1.249287e-01 9.397687e-02 4.456880e-02 0.000485 0.001191 True native_MD 7 267 287 - CB_AB42_30 N_AB42_33 1 0.000000e+00 2.698779e-06 ; 3.060264e-01 -2.698779e-06 4.740860e-02 3.131377e-02 0.000485 0.000060 True native_MD 7 267 288 + CB_AB42_30 N_AB42_33 1 0.000000e+00 2.698754e-06 ; 3.060262e-01 -2.698754e-06 4.740860e-02 3.131377e-02 0.000485 0.000060 True native_MD 7 267 288 CB_AB42_30 CA_AB42_33 1 1.764897e-03 5.971942e-06 ; 3.874652e-01 1.303956e-01 5.161495e-02 4.071074e-02 0.000485 0.002332 True native_MD 7 267 290 - CB_AB42_30 C_AB42_33 1 0.000000e+00 4.752449e-06 ; 3.208028e-01 -4.752449e-06 8.695810e-03 1.426772e-02 0.000485 0.000060 True native_MD 7 267 291 + CB_AB42_30 C_AB42_33 1 0.000000e+00 4.752387e-06 ; 3.208024e-01 -4.752387e-06 8.695810e-03 1.426772e-02 0.000485 0.000060 True native_MD 7 267 291 CB_AB42_30 O_AB42_33 1 5.422746e-04 7.278664e-07 ; 3.321279e-01 1.010013e-01 6.014997e-03 5.837436e-03 0.000485 0.001191 True native_MD 7 267 292 - CB_AB42_30 N_AB42_34 1 0.000000e+00 2.749003e-06 ; 3.064970e-01 -2.749003e-06 5.259926e-03 7.475254e-03 0.000485 0.000060 True native_MD 7 267 293 + CB_AB42_30 N_AB42_34 1 0.000000e+00 2.748977e-06 ; 3.064968e-01 -2.748977e-06 5.259926e-03 7.475254e-03 0.000485 0.000060 True native_MD 7 267 293 CB_AB42_30 CA_AB42_34 1 3.882440e-03 2.926612e-05 ; 4.428025e-01 1.287610e-01 2.014136e-02 1.382459e-02 0.000485 0.001932 True native_MD 7 267 295 CB_AB42_30 CB_AB42_34 1 2.129764e-03 7.691255e-06 ; 3.916916e-01 1.474367e-01 2.591530e-02 1.227474e-02 0.000485 0.002332 True native_MD 7 267 296 CB_AB42_30 CG_AB42_34 1 2.618729e-03 1.252798e-05 ; 4.104860e-01 1.368486e-01 5.409455e-02 2.914781e-02 0.000485 0.001932 True native_MD 7 267 297 CB_AB42_30 CD1_AB42_34 1 1.304694e-03 2.588044e-06 ; 3.544681e-01 1.644317e-01 3.399934e-02 2.206962e-02 0.000485 0.005315 True native_MD 7 267 298 CB_AB42_30 CD2_AB42_34 1 1.326459e-03 2.538877e-06 ; 3.523638e-01 1.732552e-01 2.826550e-02 1.408982e-02 0.000485 0.005315 True native_MD 7 267 299 - CB_AB42_30 C_AB42_34 1 0.000000e+00 4.729961e-06 ; 3.206760e-01 -4.729961e-06 3.786488e-03 4.600182e-03 0.000485 0.000060 True native_MD 7 267 300 + CB_AB42_30 C_AB42_34 1 0.000000e+00 4.729899e-06 ; 3.206757e-01 -4.729899e-06 3.786488e-03 4.600182e-03 0.000485 0.000060 True native_MD 7 267 300 CB_AB42_30 O_AB42_34 1 3.625914e-04 4.050676e-07 ; 3.221205e-01 8.114236e-02 3.069558e-03 5.397122e-03 0.000485 0.001191 True native_MD 7 267 301 - CB_AB42_30 N_AB42_35 1 0.000000e+00 2.741775e-06 ; 3.064298e-01 -2.741775e-06 2.951824e-03 2.532328e-03 0.000485 0.000060 True native_MD 7 267 302 + CB_AB42_30 N_AB42_35 1 0.000000e+00 2.741750e-06 ; 3.064296e-01 -2.741750e-06 2.951824e-03 2.532328e-03 0.000485 0.000060 True native_MD 7 267 302 CB_AB42_30 CA_AB42_35 1 1.772464e-03 6.384962e-06 ; 3.915286e-01 1.230088e-01 1.160285e-02 9.459916e-03 0.000485 0.001932 True native_MD 7 267 304 CB_AB42_30 CB_AB42_35 1 1.801885e-03 5.502622e-06 ; 3.808966e-01 1.475110e-01 1.753164e-02 8.285400e-03 0.000485 0.002332 True native_MD 7 267 305 CB_AB42_30 CG_AB42_35 1 1.781055e-03 5.235114e-06 ; 3.784787e-01 1.514846e-01 2.665832e-02 1.118612e-02 0.000485 0.002332 True native_MD 7 267 306 - CB_AB42_30 SD_AB42_35 1 0.000000e+00 4.761967e-06 ; 3.208563e-01 -4.761967e-06 2.581871e-02 9.924316e-03 0.000485 0.000060 True native_MD 7 267 307 + CB_AB42_30 SD_AB42_35 1 0.000000e+00 4.761977e-06 ; 3.208563e-01 -4.761977e-06 2.581871e-02 9.924316e-03 0.000485 0.000060 True native_MD 7 267 307 CB_AB42_30 CE_AB42_35 1 1.188530e-03 1.952963e-06 ; 3.435163e-01 1.808281e-01 3.312222e-02 1.316271e-02 0.000485 0.005315 True native_MD 7 267 308 - CB_AB42_30 C_AB42_35 1 0.000000e+00 4.724778e-06 ; 3.206467e-01 -4.724778e-06 2.952044e-03 2.669050e-03 0.000485 0.000060 True native_MD 7 267 309 + CB_AB42_30 C_AB42_35 1 0.000000e+00 4.724716e-06 ; 3.206464e-01 -4.724716e-06 2.952044e-03 2.669050e-03 0.000485 0.000060 True native_MD 7 267 309 CB_AB42_30 O_AB42_35 1 2.746192e-04 1.856260e-07 ; 2.962452e-01 1.015694e-01 2.202488e-03 2.101438e-03 0.000485 0.001191 True native_MD 7 267 310 - CB_AB42_30 N_AB42_36 1 0.000000e+00 2.740564e-06 ; 3.064185e-01 -2.740564e-06 2.246694e-03 1.385488e-03 0.000485 0.000060 True native_MD 7 267 311 + CB_AB42_30 N_AB42_36 1 0.000000e+00 2.740538e-06 ; 3.064183e-01 -2.740538e-06 2.246694e-03 1.385488e-03 0.000485 0.000060 True native_MD 7 267 311 CB_AB42_30 CA_AB42_36 1 1.698077e-03 6.465388e-06 ; 3.951599e-01 1.114962e-01 4.530054e-03 5.212571e-03 0.000485 0.001932 True native_MD 7 267 313 CB_AB42_30 CB_AB42_36 1 2.268052e-03 1.143472e-05 ; 4.140906e-01 1.124659e-01 6.973803e-03 7.794997e-03 0.000485 0.001932 True native_MD 7 267 314 CB_AB42_30 CG1_AB42_36 1 9.681899e-04 1.735576e-06 ; 3.485356e-01 1.350261e-01 4.317656e-03 6.756907e-03 0.000485 0.005315 True native_MD 7 267 315 CB_AB42_30 CG2_AB42_36 1 1.198070e-03 2.526901e-06 ; 3.581110e-01 1.420092e-01 5.483508e-03 6.963076e-03 0.000485 0.005315 True native_MD 7 267 316 - CB_AB42_30 C_AB42_36 1 0.000000e+00 4.719952e-06 ; 3.206194e-01 -4.719952e-06 2.549969e-03 1.245877e-03 0.000485 0.000060 True native_MD 7 267 317 + CB_AB42_30 C_AB42_36 1 0.000000e+00 4.719891e-06 ; 3.206191e-01 -4.719891e-06 2.549969e-03 1.245877e-03 0.000485 0.000060 True native_MD 7 267 317 CB_AB42_30 O_AB42_36 1 2.762521e-04 1.652380e-07 ; 2.902691e-01 1.154625e-01 2.306217e-03 1.451906e-03 0.000485 0.001191 True native_MD 7 267 318 - CB_AB42_30 N_AB42_37 1 0.000000e+00 2.739003e-06 ; 3.064040e-01 -2.739003e-06 2.346450e-03 9.161996e-04 0.000485 0.000060 True native_MD 7 267 319 + CB_AB42_30 N_AB42_37 1 0.000000e+00 2.738977e-06 ; 3.064037e-01 -2.738977e-06 2.346450e-03 9.161996e-04 0.000485 0.000060 True native_MD 7 267 319 CB_AB42_30 CA_AB42_37 1 1.187695e-03 2.776751e-06 ; 3.643108e-01 1.270027e-01 5.031978e-03 4.393072e-03 0.000485 0.002332 True native_MD 7 267 321 - CB_AB42_30 C_AB42_37 1 0.000000e+00 4.722816e-06 ; 3.206356e-01 -4.722816e-06 3.173148e-03 2.474961e-03 0.000485 0.000060 True native_MD 7 267 322 + CB_AB42_30 C_AB42_37 1 0.000000e+00 4.722754e-06 ; 3.206353e-01 -4.722754e-06 3.173148e-03 2.474961e-03 0.000485 0.000060 True native_MD 7 267 322 CB_AB42_30 O_AB42_37 1 2.735795e-04 1.991425e-07 ; 2.999255e-01 9.396003e-02 1.644665e-03 1.970502e-03 0.000485 0.001191 True native_MD 7 267 323 - CB_AB42_30 N_AB42_38 1 0.000000e+00 2.736026e-06 ; 3.063762e-01 -2.736026e-06 3.815276e-03 1.299822e-03 0.000485 0.000060 True native_MD 7 267 324 + CB_AB42_30 N_AB42_38 1 0.000000e+00 2.736001e-06 ; 3.063760e-01 -2.736001e-06 3.815276e-03 1.299822e-03 0.000485 0.000060 True native_MD 7 267 324 CB_AB42_30 CA_AB42_38 1 1.346840e-03 3.030188e-06 ; 3.619864e-01 1.496589e-01 8.875785e-03 3.933524e-03 0.000485 0.002332 True native_MD 7 267 326 - CB_AB42_30 C_AB42_38 1 0.000000e+00 4.708856e-06 ; 3.205565e-01 -4.708856e-06 6.045229e-03 2.393191e-03 0.000485 0.000060 True native_MD 7 267 327 + CB_AB42_30 C_AB42_38 1 0.000000e+00 4.708794e-06 ; 3.205562e-01 -4.708794e-06 6.045229e-03 2.393191e-03 0.000485 0.000060 True native_MD 7 267 327 CB_AB42_30 O_AB42_38 1 2.815105e-04 1.546598e-07 ; 2.861852e-01 1.281008e-01 5.238029e-03 2.259183e-03 0.000485 0.001191 True native_MD 7 267 328 - CB_AB42_30 N_AB42_39 1 0.000000e+00 2.737707e-06 ; 3.063919e-01 -2.737707e-06 2.533931e-03 6.311581e-04 0.000485 0.000060 True native_MD 7 267 329 + CB_AB42_30 N_AB42_39 1 0.000000e+00 2.737681e-06 ; 3.063916e-01 -2.737681e-06 2.533931e-03 6.311581e-04 0.000485 0.000060 True native_MD 7 267 329 CB_AB42_30 CA_AB42_39 1 4.307829e-03 3.210832e-05 ; 4.419704e-01 1.444905e-01 6.166181e-03 2.643314e-03 0.000485 0.001932 True native_MD 7 267 331 CB_AB42_30 CB_AB42_39 1 1.853064e-03 6.963520e-06 ; 3.942966e-01 1.232798e-01 4.975424e-03 4.023747e-03 0.000485 0.001932 True native_MD 7 267 332 CB_AB42_30 CG1_AB42_39 1 1.176440e-03 2.524480e-06 ; 3.591427e-01 1.370591e-01 3.609071e-03 3.777340e-03 0.000485 0.005315 True native_MD 7 267 333 CB_AB42_30 CG2_AB42_39 1 1.333950e-03 3.180182e-06 ; 3.654983e-01 1.398838e-01 3.927409e-03 3.100516e-03 0.000485 0.005315 True native_MD 7 267 334 - CB_AB42_30 C_AB42_39 1 0.000000e+00 4.717509e-06 ; 3.206056e-01 -4.717509e-06 2.402266e-03 5.810945e-04 0.000485 0.000060 True native_MD 7 267 335 + CB_AB42_30 C_AB42_39 1 0.000000e+00 4.717447e-06 ; 3.206052e-01 -4.717447e-06 2.402266e-03 5.810945e-04 0.000485 0.000060 True native_MD 7 267 335 CB_AB42_30 O_AB42_39 1 3.800472e-04 3.061015e-07 ; 3.050268e-01 1.179640e-01 2.038086e-03 5.082767e-04 0.000485 0.001191 True native_MD 7 267 336 - CB_AB42_30 N_AB42_40 1 0.000000e+00 2.738389e-06 ; 3.063982e-01 -2.738389e-06 1.982761e-03 3.285285e-04 0.000485 0.000060 True native_MD 7 267 337 + CB_AB42_30 N_AB42_40 1 0.000000e+00 2.738363e-06 ; 3.063980e-01 -2.738363e-06 1.982761e-03 3.285285e-04 0.000485 0.000060 True native_MD 7 267 337 CB_AB42_30 CA_AB42_40 1 4.155815e-03 2.326303e-05 ; 4.213746e-01 1.856035e-01 1.542801e-02 1.815456e-03 0.000485 0.001932 True native_MD 7 267 339 CB_AB42_30 CB_AB42_40 1 3.742516e-03 1.768842e-05 ; 4.096575e-01 1.979603e-01 3.486816e-02 3.017395e-03 0.000485 0.001932 True native_MD 7 267 340 CB_AB42_30 CG1_AB42_40 1 1.975479e-03 4.560564e-06 ; 3.635446e-01 2.139274e-01 3.601029e-02 2.529188e-03 0.000485 0.005315 True native_MD 7 267 341 @@ -47709,21 +47709,21 @@ ND2_AB42_27 O2_AB42_42 1 1.206374e-04 3.081594e-08 ; 2.518927e-01 1.180670 CB_AB42_30 N_AB42_42 1 1.069685e-03 3.336783e-06 ; 3.822481e-01 8.572822e-02 8.136847e-03 6.255688e-04 0.000485 0.000060 True native_MD 7 267 354 CB_AB42_30 CA_AB42_42 1 2.144796e-03 6.221653e-06 ; 3.776475e-01 1.848444e-01 2.224011e-02 2.849729e-03 0.000485 0.001932 True native_MD 7 267 356 CB_AB42_30 CB_AB42_42 1 1.450984e-03 2.735189e-06 ; 3.514693e-01 1.924323e-01 1.892613e-02 3.255290e-03 0.000485 0.005315 True native_MD 7 267 357 - CB_AB42_30 C_AB42_42 1 0.000000e+00 4.704381e-06 ; 3.205311e-01 -4.704381e-06 5.657002e-03 1.058057e-03 0.000485 0.000060 True native_MD 7 267 358 + CB_AB42_30 C_AB42_42 1 0.000000e+00 4.704319e-06 ; 3.205308e-01 -4.704319e-06 5.657002e-03 1.058057e-03 0.000485 0.000060 True native_MD 7 267 358 CB_AB42_30 O1_AB42_42 1 0.000000e+00 1.216010e-06 ; 2.863561e-01 -1.216010e-06 1.905077e-03 7.096974e-04 0.000485 0.000060 True native_MD 7 267 359 CB_AB42_30 O2_AB42_42 1 0.000000e+00 1.216010e-06 ; 2.863561e-01 -1.216010e-06 1.905077e-03 7.096974e-04 0.000485 0.000060 True native_MD 7 267 360 - C_AB42_30 CB_AB42_31 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 268 273 - C_AB42_30 CG1_AB42_31 1 0.000000e+00 6.333088e-06 ; 3.285713e-01 -6.333088e-06 9.999178e-01 9.997799e-01 0.000485 0.000060 True native_MD 4 268 274 - C_AB42_30 CG2_AB42_31 1 0.000000e+00 4.664136e-06 ; 3.203017e-01 -4.664136e-06 9.977961e-01 9.846818e-01 0.000485 0.000060 True native_MD 4 268 275 - C_AB42_30 CD_AB42_31 1 0.000000e+00 4.596196e-06 ; 3.199103e-01 -4.596196e-06 3.364311e-01 3.089414e-01 0.000485 0.000060 True native_MD 5 268 276 - C_AB42_30 O_AB42_31 1 0.000000e+00 8.176441e-07 ; 2.770397e-01 -8.176441e-07 9.289316e-01 9.176869e-01 0.000485 0.000060 True native_MD 4 268 278 - C_AB42_30 N_AB42_32 1 0.000000e+00 1.475200e-06 ; 2.910042e-01 -1.475200e-06 9.965241e-01 9.746771e-01 0.000485 0.000060 True native_MD 4 268 279 - C_AB42_30 CA_AB42_32 1 0.000000e+00 1.144814e-05 ; 3.451884e-01 -1.144814e-05 9.717838e-01 8.489102e-01 0.000485 0.000060 True native_MD 5 268 281 - C_AB42_30 CB_AB42_32 1 0.000000e+00 9.411830e-06 ; 3.396001e-01 -9.411830e-06 6.379711e-01 3.590811e-01 0.000485 0.000060 True native_MD 6 268 282 - C_AB42_30 CG1_AB42_32 1 0.000000e+00 6.002716e-06 ; 3.271076e-01 -6.002716e-06 2.833068e-01 2.310102e-01 0.000485 0.000060 True native_MD 7 268 283 - C_AB42_30 CG2_AB42_32 1 0.000000e+00 4.322199e-06 ; 3.182759e-01 -4.322199e-06 2.030544e-01 1.175895e-01 0.000485 0.000060 True native_MD 7 268 284 - C_AB42_30 CD_AB42_32 1 0.000000e+00 4.595354e-06 ; 3.199054e-01 -4.595354e-06 6.823183e-02 4.056401e-02 0.000485 0.000060 True native_MD 7 268 285 - C_AB42_30 C_AB42_32 1 0.000000e+00 1.876578e-06 ; 2.968991e-01 -1.876578e-06 4.124372e-01 1.345951e-01 0.000485 0.000060 True native_MD 6 268 286 + C_AB42_30 CB_AB42_31 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 268 273 + C_AB42_30 CG1_AB42_31 1 0.000000e+00 6.332981e-06 ; 3.285708e-01 -6.332981e-06 9.999178e-01 9.997799e-01 0.000485 0.000060 True native_MD 4 268 274 + C_AB42_30 CG2_AB42_31 1 0.000000e+00 4.664075e-06 ; 3.203014e-01 -4.664075e-06 9.977961e-01 9.846818e-01 0.000485 0.000060 True native_MD 4 268 275 + C_AB42_30 CD_AB42_31 1 0.000000e+00 4.596136e-06 ; 3.199099e-01 -4.596136e-06 3.364311e-01 3.089414e-01 0.000485 0.000060 True native_MD 5 268 276 + C_AB42_30 O_AB42_31 1 0.000000e+00 8.176404e-07 ; 2.770396e-01 -8.176404e-07 9.289316e-01 9.176869e-01 0.000485 0.000060 True native_MD 4 268 278 + C_AB42_30 N_AB42_32 1 0.000000e+00 1.475179e-06 ; 2.910039e-01 -1.475179e-06 9.965241e-01 9.746771e-01 0.000485 0.000060 True native_MD 4 268 279 + C_AB42_30 CA_AB42_32 1 0.000000e+00 1.144808e-05 ; 3.451883e-01 -1.144808e-05 9.717838e-01 8.489102e-01 0.000485 0.000060 True native_MD 5 268 281 + C_AB42_30 CB_AB42_32 1 0.000000e+00 9.411782e-06 ; 3.396000e-01 -9.411782e-06 6.379711e-01 3.590811e-01 0.000485 0.000060 True native_MD 6 268 282 + C_AB42_30 CG1_AB42_32 1 0.000000e+00 6.002616e-06 ; 3.271072e-01 -6.002616e-06 2.833068e-01 2.310102e-01 0.000485 0.000060 True native_MD 7 268 283 + C_AB42_30 CG2_AB42_32 1 0.000000e+00 4.322142e-06 ; 3.182755e-01 -4.322142e-06 2.030544e-01 1.175895e-01 0.000485 0.000060 True native_MD 7 268 284 + C_AB42_30 CD_AB42_32 1 0.000000e+00 4.595294e-06 ; 3.199051e-01 -4.595294e-06 6.823183e-02 4.056401e-02 0.000485 0.000060 True native_MD 7 268 285 + C_AB42_30 C_AB42_32 1 0.000000e+00 1.876545e-06 ; 2.968987e-01 -1.876545e-06 4.124372e-01 1.345951e-01 0.000485 0.000060 True native_MD 6 268 286 C_AB42_30 O_AB42_32 1 9.324715e-04 1.630168e-06 ; 3.470826e-01 1.333456e-01 1.250337e-01 8.386193e-02 0.000485 0.002166 True native_MD 7 268 287 C_AB42_30 N_AB42_33 1 8.902318e-04 1.212149e-06 ; 3.329217e-01 1.634520e-01 3.616353e-01 9.851917e-02 0.000485 0.002166 True native_MD 7 268 288 C_AB42_30 CA_AB42_33 1 2.491554e-03 9.831983e-06 ; 3.975226e-01 1.578482e-01 3.359613e-01 7.914542e-02 0.000485 0.001584 True native_MD 7 268 290 @@ -47731,24 +47731,24 @@ ND2_AB42_27 O2_AB42_42 1 1.206374e-04 3.081594e-08 ; 2.518927e-01 1.180670 C_AB42_30 O_AB42_33 1 9.250236e-04 1.673334e-06 ; 3.490639e-01 1.278389e-01 7.381313e-03 5.837683e-03 0.000485 0.002166 True native_MD 7 268 292 C_AB42_30 N_AB42_34 1 2.164794e-03 5.794235e-06 ; 3.726175e-01 2.021981e-01 1.600203e-01 1.367272e-02 0.000485 0.002166 True native_MD 7 268 293 C_AB42_30 CA_AB42_34 1 5.443926e-03 4.325124e-05 ; 4.466984e-01 1.713033e-01 1.571238e-01 2.091737e-02 0.000485 0.001339 True native_MD 7 268 295 - C_AB42_30 CB_AB42_34 1 0.000000e+00 5.411270e-06 ; 3.242923e-01 -5.411270e-06 1.715846e-01 2.591103e-02 0.000485 0.000060 True native_MD 7 268 296 - C_AB42_30 CG_AB42_34 1 0.000000e+00 1.047059e-05 ; 3.426304e-01 -1.047059e-05 2.500606e-01 5.228964e-02 0.000485 0.000060 True native_MD 7 268 297 - C_AB42_30 CD1_AB42_34 1 0.000000e+00 4.201887e-06 ; 3.175280e-01 -4.201887e-06 1.491819e-01 3.826012e-02 0.000485 0.000060 True native_MD 7 268 298 - C_AB42_30 CD2_AB42_34 1 0.000000e+00 4.569485e-06 ; 3.197549e-01 -4.569485e-06 4.881770e-02 1.567610e-02 0.000485 0.000060 True native_MD 7 268 299 + C_AB42_30 CB_AB42_34 1 0.000000e+00 5.411179e-06 ; 3.242918e-01 -5.411179e-06 1.715846e-01 2.591103e-02 0.000485 0.000060 True native_MD 7 268 296 + C_AB42_30 CG_AB42_34 1 0.000000e+00 1.047053e-05 ; 3.426303e-01 -1.047053e-05 2.500606e-01 5.228964e-02 0.000485 0.000060 True native_MD 7 268 297 + C_AB42_30 CD1_AB42_34 1 0.000000e+00 4.201832e-06 ; 3.175277e-01 -4.201832e-06 1.491819e-01 3.826012e-02 0.000485 0.000060 True native_MD 7 268 298 + C_AB42_30 CD2_AB42_34 1 0.000000e+00 4.569425e-06 ; 3.197546e-01 -4.569425e-06 4.881770e-02 1.567610e-02 0.000485 0.000060 True native_MD 7 268 299 C_AB42_30 C_AB42_34 1 2.072147e-03 7.796411e-06 ; 3.943777e-01 1.376850e-01 3.677300e-03 1.023968e-03 0.000485 0.002166 True native_MD 7 268 300 C_AB42_30 O_AB42_34 1 5.739072e-04 7.122219e-07 ; 3.278151e-01 1.156134e-01 1.920507e-03 2.189850e-03 0.000485 0.002166 True native_MD 7 268 301 C_AB42_30 N_AB42_35 1 1.322689e-03 3.077415e-06 ; 3.640168e-01 1.421247e-01 4.199817e-03 6.486378e-04 0.000485 0.002166 True native_MD 7 268 302 C_AB42_30 CA_AB42_35 1 3.849042e-03 2.579746e-05 ; 4.342142e-01 1.435715e-01 9.658306e-03 2.948407e-03 0.000485 0.001339 True native_MD 7 268 304 - C_AB42_30 CB_AB42_35 1 0.000000e+00 6.262166e-06 ; 3.282631e-01 -6.262166e-06 1.441999e-02 3.085105e-03 0.000485 0.000060 True native_MD 7 268 305 - C_AB42_30 CG_AB42_35 1 0.000000e+00 6.229853e-06 ; 3.281216e-01 -6.229853e-06 2.057058e-02 4.134122e-03 0.000485 0.000060 True native_MD 7 268 306 + C_AB42_30 CB_AB42_35 1 0.000000e+00 6.262061e-06 ; 3.282626e-01 -6.262061e-06 1.441999e-02 3.085105e-03 0.000485 0.000060 True native_MD 7 268 305 + C_AB42_30 CG_AB42_35 1 0.000000e+00 6.229749e-06 ; 3.281211e-01 -6.229749e-06 2.057058e-02 4.134122e-03 0.000485 0.000060 True native_MD 7 268 306 C_AB42_30 SD_AB42_35 1 1.266918e-03 2.430143e-06 ; 3.524903e-01 1.651222e-01 1.589995e-02 4.120444e-03 0.000485 0.002166 True native_MD 7 268 307 - C_AB42_30 CE_AB42_35 1 0.000000e+00 4.637888e-06 ; 3.201511e-01 -4.637888e-06 2.644849e-02 7.780345e-03 0.000485 0.000060 True native_MD 7 268 308 + C_AB42_30 CE_AB42_35 1 0.000000e+00 4.637827e-06 ; 3.201508e-01 -4.637827e-06 2.644849e-02 7.780345e-03 0.000485 0.000060 True native_MD 7 268 308 C_AB42_30 C_AB42_35 1 1.709142e-03 9.703647e-06 ; 4.223697e-01 7.525953e-02 5.678145e-04 9.517333e-05 0.000485 0.002166 True native_MD 7 268 309 C_AB42_30 O_AB42_35 1 6.726351e-04 1.511630e-06 ; 3.619187e-01 7.482615e-02 5.604980e-04 5.680920e-04 0.000485 0.002166 True native_MD 7 268 310 C_AB42_30 CA_AB42_36 1 1.367103e-03 4.597079e-06 ; 3.870616e-01 1.016390e-01 1.250408e-03 9.597422e-04 0.000485 0.001339 True native_MD 7 268 313 - C_AB42_30 CB_AB42_36 1 0.000000e+00 1.303556e-05 ; 3.489441e-01 -1.303556e-05 3.971905e-03 2.722440e-03 0.000485 0.000060 True native_MD 7 268 314 - C_AB42_30 CG1_AB42_36 1 0.000000e+00 4.727669e-06 ; 3.206630e-01 -4.727669e-06 2.673976e-03 3.002536e-03 0.000485 0.000060 True native_MD 7 268 315 - C_AB42_30 CG2_AB42_36 1 0.000000e+00 4.721546e-06 ; 3.206284e-01 -4.721546e-06 4.116455e-03 3.149555e-03 0.000485 0.000060 True native_MD 7 268 316 + C_AB42_30 CB_AB42_36 1 0.000000e+00 1.303549e-05 ; 3.489439e-01 -1.303549e-05 3.971905e-03 2.722440e-03 0.000485 0.000060 True native_MD 7 268 314 + C_AB42_30 CG1_AB42_36 1 0.000000e+00 4.727607e-06 ; 3.206627e-01 -4.727607e-06 2.673976e-03 3.002536e-03 0.000485 0.000060 True native_MD 7 268 315 + C_AB42_30 CG2_AB42_36 1 0.000000e+00 4.721484e-06 ; 3.206281e-01 -4.721484e-06 4.116455e-03 3.149555e-03 0.000485 0.000060 True native_MD 7 268 316 C_AB42_30 C_AB42_36 1 1.506193e-03 7.330077e-06 ; 4.116594e-01 7.737359e-02 6.048981e-04 7.392096e-05 0.000485 0.002166 True native_MD 7 268 317 C_AB42_30 O_AB42_36 1 5.170928e-04 8.256607e-07 ; 3.418788e-01 8.096089e-02 6.734498e-04 3.098361e-04 0.000485 0.002166 True native_MD 7 268 318 C_AB42_30 CA_AB42_37 1 1.282531e-03 5.610921e-06 ; 4.044155e-01 7.328942e-02 6.015949e-04 1.780012e-03 0.000485 0.001584 True native_MD 7 268 321 @@ -47757,9 +47757,9 @@ ND2_AB42_27 O2_AB42_42 1 1.206374e-04 3.081594e-08 ; 2.518927e-01 1.180670 C_AB42_30 O_AB42_38 1 7.405377e-04 1.138671e-06 ; 3.397362e-01 1.204027e-01 2.192386e-03 3.501057e-04 0.000485 0.002166 True native_MD 7 268 328 C_AB42_30 N_AB42_39 1 7.177291e-04 1.380309e-06 ; 3.526435e-01 9.330069e-02 9.742749e-04 5.003516e-05 0.000485 0.002166 True native_MD 7 268 329 C_AB42_30 CA_AB42_39 1 2.690423e-03 1.741870e-05 ; 4.317170e-01 1.038880e-01 1.337461e-03 5.363188e-04 0.000485 0.001339 True native_MD 7 268 331 - C_AB42_30 CB_AB42_39 1 0.000000e+00 1.304082e-05 ; 3.489558e-01 -1.304082e-05 2.404328e-03 1.558242e-03 0.000485 0.000060 True native_MD 7 268 332 - C_AB42_30 CG1_AB42_39 1 0.000000e+00 4.725303e-06 ; 3.206497e-01 -4.725303e-06 1.991182e-03 1.819250e-03 0.000485 0.000060 True native_MD 7 268 333 - C_AB42_30 CG2_AB42_39 1 0.000000e+00 4.721964e-06 ; 3.206308e-01 -4.721964e-06 2.414778e-03 1.536220e-03 0.000485 0.000060 True native_MD 7 268 334 + C_AB42_30 CB_AB42_39 1 0.000000e+00 1.304075e-05 ; 3.489556e-01 -1.304075e-05 2.404328e-03 1.558242e-03 0.000485 0.000060 True native_MD 7 268 332 + C_AB42_30 CG1_AB42_39 1 0.000000e+00 4.725241e-06 ; 3.206493e-01 -4.725241e-06 1.991182e-03 1.819250e-03 0.000485 0.000060 True native_MD 7 268 333 + C_AB42_30 CG2_AB42_39 1 0.000000e+00 4.721902e-06 ; 3.206304e-01 -4.721902e-06 2.414778e-03 1.536220e-03 0.000485 0.000060 True native_MD 7 268 334 C_AB42_30 C_AB42_39 1 2.013669e-03 1.217843e-05 ; 4.268420e-01 8.323863e-02 7.209550e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 268 335 C_AB42_30 O_AB42_39 1 8.051715e-04 1.510078e-06 ; 3.511709e-01 1.073291e-01 1.482530e-03 5.027651e-05 0.000485 0.002166 True native_MD 7 268 336 C_AB42_30 CA_AB42_40 1 2.983639e-03 1.458656e-05 ; 4.119721e-01 1.525737e-01 5.741605e-03 1.919315e-04 0.000485 0.001339 True native_MD 7 268 339 @@ -47769,24 +47769,24 @@ ND2_AB42_27 O2_AB42_42 1 1.206374e-04 3.081594e-08 ; 2.518927e-01 1.180670 C_AB42_30 C_AB42_40 1 2.136076e-03 1.071676e-05 ; 4.137530e-01 1.064413e-01 1.443661e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 268 343 C_AB42_30 N_AB42_41 1 7.269162e-04 1.328372e-06 ; 3.496546e-01 9.944639e-02 1.170995e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 268 345 C_AB42_30 CA_AB42_41 1 2.736107e-03 1.523122e-05 ; 4.209853e-01 1.228773e-01 2.360907e-03 1.995054e-04 0.000485 0.001339 True native_MD 7 268 347 - C_AB42_30 CB_AB42_41 1 0.000000e+00 1.297253e-05 ; 3.488032e-01 -1.297253e-05 7.000331e-03 9.221956e-04 0.000485 0.000060 True native_MD 7 268 348 + C_AB42_30 CB_AB42_41 1 0.000000e+00 1.297247e-05 ; 3.488030e-01 -1.297247e-05 7.000331e-03 9.221956e-04 0.000485 0.000060 True native_MD 7 268 348 C_AB42_30 CG1_AB42_41 1 9.751192e-04 2.805099e-06 ; 3.771219e-01 8.474368e-02 7.621086e-03 6.034364e-04 0.000485 0.000060 True native_MD 7 268 349 - C_AB42_30 CG2_AB42_41 1 0.000000e+00 4.698892e-06 ; 3.204999e-01 -4.698892e-06 7.052696e-03 1.292363e-03 0.000485 0.000060 True native_MD 7 268 350 - C_AB42_30 CD_AB42_41 1 0.000000e+00 4.682482e-06 ; 3.204065e-01 -4.682482e-06 1.072339e-02 1.490865e-03 0.000485 0.000060 True native_MD 7 268 351 + C_AB42_30 CG2_AB42_41 1 0.000000e+00 4.698830e-06 ; 3.204996e-01 -4.698830e-06 7.052696e-03 1.292363e-03 0.000485 0.000060 True native_MD 7 268 350 + C_AB42_30 CD_AB42_41 1 0.000000e+00 4.682421e-06 ; 3.204062e-01 -4.682421e-06 1.072339e-02 1.490865e-03 0.000485 0.000060 True native_MD 7 268 351 C_AB42_30 C_AB42_41 1 1.310293e-03 6.070920e-06 ; 4.083016e-01 7.070044e-02 4.953972e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 268 352 C_AB42_30 CA_AB42_42 1 2.752591e-03 1.353419e-05 ; 4.123649e-01 1.399559e-01 3.935901e-03 6.316010e-04 0.000485 0.001339 True native_MD 7 268 356 - C_AB42_30 CB_AB42_42 1 0.000000e+00 4.708744e-06 ; 3.205559e-01 -4.708744e-06 4.963618e-03 1.287884e-03 0.000485 0.000060 True native_MD 7 268 357 + C_AB42_30 CB_AB42_42 1 0.000000e+00 4.708682e-06 ; 3.205555e-01 -4.708682e-06 4.963618e-03 1.287884e-03 0.000485 0.000060 True native_MD 7 268 357 O_AB42_30 O_AB42_30 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 269 O_AB42_30 H_AB42_31 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 271 - O_AB42_30 CB_AB42_31 1 0.000000e+00 4.153492e-06 ; 3.172216e-01 -4.153492e-06 1.000000e+00 9.999994e-01 0.000485 0.000060 True native_MD 4 269 273 - O_AB42_30 CG1_AB42_31 1 0.000000e+00 2.167438e-06 ; 3.004858e-01 -2.167438e-06 4.370938e-01 5.123952e-01 0.000485 0.000060 True native_MD 5 269 274 + O_AB42_30 CB_AB42_31 1 0.000000e+00 4.153525e-06 ; 3.172218e-01 -4.153525e-06 1.000000e+00 9.999994e-01 0.000485 0.000060 True native_MD 4 269 273 + O_AB42_30 CG1_AB42_31 1 0.000000e+00 2.167430e-06 ; 3.004857e-01 -2.167430e-06 4.370938e-01 5.123952e-01 0.000485 0.000060 True native_MD 5 269 274 O_AB42_30 CG2_AB42_31 1 0.000000e+00 1.625520e-06 ; 2.933668e-01 -1.625520e-06 2.868513e-01 3.676549e-01 0.000485 0.000060 True native_MD 5 269 275 O_AB42_30 CD_AB42_31 1 0.000000e+00 1.420466e-06 ; 2.900888e-01 -1.420466e-06 1.619245e-01 1.063886e-01 0.000485 0.000060 True native_MD 6 269 276 - O_AB42_30 C_AB42_31 1 0.000000e+00 8.242612e-07 ; 2.772259e-01 -8.242612e-07 9.999828e-01 9.967399e-01 0.000485 0.000060 True native_MD 4 269 277 + O_AB42_30 C_AB42_31 1 0.000000e+00 8.242574e-07 ; 2.772258e-01 -8.242574e-07 9.999828e-01 9.967399e-01 0.000485 0.000060 True native_MD 4 269 277 O_AB42_30 O_AB42_31 1 0.000000e+00 1.343670e-06 ; 2.887483e-01 -1.343670e-06 9.440737e-01 8.398536e-01 0.000485 0.000060 True native_MD 5 269 278 O_AB42_30 N_AB42_32 1 0.000000e+00 1.409741e-06 ; 2.899056e-01 -1.409741e-06 9.714062e-01 9.112334e-01 0.000485 0.000060 True native_MD 5 269 279 - O_AB42_30 H_AB42_32 1 0.000000e+00 1.357608e-08 ; 1.968912e-01 -1.357608e-08 2.687704e-01 1.437323e-01 0.000485 0.000060 True native_MD 6 269 280 - O_AB42_30 CA_AB42_32 1 0.000000e+00 3.229762e-06 ; 3.106413e-01 -3.229762e-06 7.646538e-01 5.422550e-01 0.000485 0.000060 True native_MD 6 269 281 + O_AB42_30 H_AB42_32 1 0.000000e+00 1.357630e-08 ; 1.968914e-01 -1.357630e-08 2.687704e-01 1.437323e-01 0.000485 0.000060 True native_MD 6 269 280 + O_AB42_30 CA_AB42_32 1 0.000000e+00 3.229788e-06 ; 3.106415e-01 -3.229788e-06 7.646538e-01 5.422550e-01 0.000485 0.000060 True native_MD 6 269 281 O_AB42_30 CB_AB42_32 1 1.649548e-03 6.364852e-06 ; 3.960383e-01 1.068763e-01 2.812656e-01 2.289538e-01 0.000485 0.001191 True native_MD 7 269 282 O_AB42_30 CG1_AB42_32 1 5.014341e-04 6.616475e-07 ; 3.311836e-01 9.500383e-02 1.650922e-01 1.917167e-01 0.000485 0.001191 True native_MD 7 269 283 O_AB42_30 CG2_AB42_32 1 5.640975e-04 8.046483e-07 ; 3.355125e-01 9.886494e-02 1.197538e-01 1.238914e-01 0.000485 0.001191 True native_MD 7 269 284 @@ -47825,7 +47825,7 @@ ND2_AB42_27 O2_AB42_42 1 1.206374e-04 3.081594e-08 ; 2.518927e-01 1.180670 O_AB42_30 C_AB42_36 1 4.553725e-04 6.494660e-07 ; 3.355044e-01 7.982100e-02 6.508642e-04 2.719078e-04 0.000485 0.002166 True native_MD 7 269 317 O_AB42_30 O_AB42_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 318 O_AB42_30 H_AB42_37 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 320 - O_AB42_30 CA_AB42_37 1 0.000000e+00 2.019212e-06 ; 2.987171e-01 -2.019212e-06 5.277799e-04 2.291698e-03 0.000485 0.001584 True native_MD 7 269 321 + O_AB42_30 CA_AB42_37 1 0.000000e+00 2.019204e-06 ; 2.987171e-01 -2.019204e-06 5.277799e-04 2.291698e-03 0.000485 0.001584 True native_MD 7 269 321 O_AB42_30 O_AB42_37 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 323 O_AB42_30 N_AB42_38 1 7.678893e-04 1.390637e-06 ; 3.491290e-01 1.060043e-01 1.424905e-03 1.150734e-03 0.000485 0.002166 True native_MD 7 269 324 O_AB42_30 H_AB42_38 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 325 @@ -47863,18 +47863,18 @@ ND2_AB42_27 O2_AB42_42 1 1.206374e-04 3.081594e-08 ; 2.518927e-01 1.180670 O_AB42_30 CB_AB42_42 1 4.657657e-04 4.134384e-07 ; 3.100087e-01 1.311790e-01 3.859075e-03 1.517960e-03 0.000485 0.001191 True native_MD 7 269 357 O_AB42_30 O1_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 359 O_AB42_30 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 360 - N_AB42_31 CB_AB42_31 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 273 - N_AB42_31 CG1_AB42_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 274 - N_AB42_31 CG2_AB42_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 275 - N_AB42_31 CD_AB42_31 1 0.000000e+00 2.732682e-06 ; 3.063450e-01 -2.732682e-06 9.415861e-01 9.378513e-01 0.000485 0.000060 True native_MD 4 270 276 - N_AB42_31 CA_AB42_32 1 0.000000e+00 7.574910e-06 ; 3.335107e-01 -7.574910e-06 9.999880e-01 9.999768e-01 0.000485 0.000060 True native_MD 4 270 281 - N_AB42_31 CB_AB42_32 1 0.000000e+00 5.116954e-06 ; 3.227845e-01 -5.116954e-06 7.770112e-01 4.525172e-01 0.000485 0.000060 True native_MD 5 270 282 - N_AB42_31 CG1_AB42_32 1 0.000000e+00 3.286970e-06 ; 3.110962e-01 -3.286970e-06 3.449236e-01 2.390741e-01 0.000485 0.000060 True native_MD 6 270 283 - N_AB42_31 CG2_AB42_32 1 0.000000e+00 2.397360e-06 ; 3.030210e-01 -2.397360e-06 2.093005e-01 8.331601e-02 0.000485 0.000060 True native_MD 6 270 284 - N_AB42_31 CD_AB42_32 1 0.000000e+00 2.677992e-06 ; 3.058293e-01 -2.677992e-06 3.578157e-02 1.210816e-02 0.000485 0.000060 True native_MD 7 270 285 - N_AB42_31 C_AB42_32 1 0.000000e+00 1.214943e-06 ; 2.863352e-01 -1.214943e-06 2.778122e-01 8.339797e-02 0.000485 0.000060 True native_MD 5 270 286 + N_AB42_31 CB_AB42_31 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 273 + N_AB42_31 CG1_AB42_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 274 + N_AB42_31 CG2_AB42_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 275 + N_AB42_31 CD_AB42_31 1 0.000000e+00 2.732656e-06 ; 3.063447e-01 -2.732656e-06 9.415861e-01 9.378513e-01 0.000485 0.000060 True native_MD 4 270 276 + N_AB42_31 CA_AB42_32 1 0.000000e+00 7.574898e-06 ; 3.335107e-01 -7.574898e-06 9.999880e-01 9.999768e-01 0.000485 0.000060 True native_MD 4 270 281 + N_AB42_31 CB_AB42_32 1 0.000000e+00 5.116946e-06 ; 3.227844e-01 -5.116946e-06 7.770112e-01 4.525172e-01 0.000485 0.000060 True native_MD 5 270 282 + N_AB42_31 CG1_AB42_32 1 0.000000e+00 3.286927e-06 ; 3.110958e-01 -3.286927e-06 3.449236e-01 2.390741e-01 0.000485 0.000060 True native_MD 6 270 283 + N_AB42_31 CG2_AB42_32 1 0.000000e+00 2.397337e-06 ; 3.030208e-01 -2.397337e-06 2.093005e-01 8.331601e-02 0.000485 0.000060 True native_MD 6 270 284 + N_AB42_31 CD_AB42_32 1 0.000000e+00 2.677966e-06 ; 3.058291e-01 -2.677966e-06 3.578157e-02 1.210816e-02 0.000485 0.000060 True native_MD 7 270 285 + N_AB42_31 C_AB42_32 1 0.000000e+00 1.214926e-06 ; 2.863348e-01 -1.214926e-06 2.778122e-01 8.339797e-02 0.000485 0.000060 True native_MD 5 270 286 N_AB42_31 O_AB42_32 1 0.000000e+00 1.412110e-06 ; 2.899462e-01 -1.412110e-06 1.763615e-01 1.177684e-01 0.000485 0.000060 True native_MD 6 270 287 - N_AB42_31 N_AB42_33 1 0.000000e+00 6.677121e-07 ; 2.724023e-01 -6.677121e-07 3.021549e-01 6.499814e-02 0.000485 0.000060 True native_MD 6 270 288 + N_AB42_31 N_AB42_33 1 0.000000e+00 6.677051e-07 ; 2.724021e-01 -6.677051e-07 3.021549e-01 6.499814e-02 0.000485 0.000060 True native_MD 6 270 288 N_AB42_31 CA_AB42_33 1 4.639812e-03 3.241483e-05 ; 4.372273e-01 1.660340e-01 6.839955e-02 1.261268e-02 0.000485 0.001584 True native_MD 7 270 290 N_AB42_31 C_AB42_33 1 1.518422e-03 7.150500e-06 ; 4.094089e-01 8.060993e-02 6.664136e-04 6.312910e-05 0.000485 0.002166 True native_MD 7 270 291 N_AB42_31 O_AB42_33 1 1.566241e-03 4.311670e-06 ; 3.743672e-01 1.422367e-01 5.144937e-03 2.644661e-03 0.000485 0.002166 True native_MD 7 270 292 @@ -47882,32 +47882,32 @@ ND2_AB42_27 O2_AB42_42 1 1.206374e-04 3.081594e-08 ; 2.518927e-01 1.180670 N_AB42_31 CA_AB42_34 1 7.756497e-03 7.808834e-05 ; 4.646794e-01 1.926128e-01 2.430146e-02 1.709824e-03 0.000485 0.001339 True native_MD 7 270 295 N_AB42_31 CB_AB42_34 1 1.774617e-03 9.570595e-06 ; 4.187669e-01 8.226408e-02 9.058512e-02 7.724992e-03 0.000485 0.000060 True native_MD 7 270 296 N_AB42_31 CG_AB42_34 1 1.904135e-03 1.273667e-05 ; 4.340699e-01 7.116716e-02 1.659675e-01 1.972819e-02 0.000485 0.000060 True native_MD 7 270 297 - N_AB42_31 CD1_AB42_34 1 0.000000e+00 2.561676e-06 ; 3.046997e-01 -2.561676e-06 8.283952e-02 1.676035e-02 0.000485 0.000060 True native_MD 7 270 298 - N_AB42_31 CD2_AB42_34 1 0.000000e+00 2.714598e-06 ; 3.061755e-01 -2.714598e-06 1.469036e-02 4.362548e-03 0.000485 0.000060 True native_MD 7 270 299 + N_AB42_31 CD1_AB42_34 1 0.000000e+00 2.561652e-06 ; 3.046995e-01 -2.561652e-06 8.283952e-02 1.676035e-02 0.000485 0.000060 True native_MD 7 270 298 + N_AB42_31 CD2_AB42_34 1 0.000000e+00 2.714572e-06 ; 3.061753e-01 -2.714572e-06 1.469036e-02 4.362548e-03 0.000485 0.000060 True native_MD 7 270 299 N_AB42_31 O_AB42_34 1 7.804869e-04 1.494212e-06 ; 3.523772e-01 1.019199e-01 1.260964e-03 1.362631e-03 0.000485 0.002166 True native_MD 7 270 301 N_AB42_31 N_AB42_35 1 1.002946e-03 3.584601e-06 ; 3.910154e-01 7.015423e-02 4.873654e-04 3.023400e-05 0.000485 0.000060 True native_MD 7 270 302 N_AB42_31 CA_AB42_35 1 4.350053e-03 3.225712e-05 ; 4.415927e-01 1.466572e-01 4.809928e-03 2.495220e-04 0.000485 0.001339 True native_MD 7 270 304 N_AB42_31 CB_AB42_35 1 1.058438e-03 2.887761e-06 ; 3.738086e-01 9.698606e-02 9.494155e-03 5.211477e-04 0.000485 0.000060 True native_MD 7 270 305 N_AB42_31 CG_AB42_35 1 9.090190e-04 2.758762e-06 ; 3.805020e-01 7.488100e-02 1.326581e-02 1.411011e-03 0.000485 0.000060 True native_MD 7 270 306 N_AB42_31 SD_AB42_35 1 9.233246e-04 1.297150e-06 ; 3.346616e-01 1.643080e-01 8.157177e-03 1.507939e-03 0.000485 0.002166 True native_MD 7 270 307 - N_AB42_31 CE_AB42_35 1 0.000000e+00 2.705664e-06 ; 3.060914e-01 -2.705664e-06 1.723771e-02 3.652747e-03 0.000485 0.000060 True native_MD 7 270 308 + N_AB42_31 CE_AB42_35 1 0.000000e+00 2.705638e-06 ; 3.060912e-01 -2.705638e-06 1.723771e-02 3.652747e-03 0.000485 0.000060 True native_MD 7 270 308 N_AB42_31 O_AB42_35 1 2.983341e-04 2.953128e-07 ; 3.156917e-01 7.534659e-02 5.692959e-04 2.548346e-04 0.000485 0.002166 True native_MD 7 270 310 N_AB42_31 N_AB42_36 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 7.845460e-05 0.000000e+00 0.000485 0.000060 True native_MD 7 270 311 N_AB42_31 CA_AB42_36 1 1.690922e-03 9.171261e-06 ; 4.191643e-01 7.793954e-02 6.152303e-04 2.654337e-05 0.000485 0.001339 True native_MD 7 270 313 - N_AB42_31 CB_AB42_36 1 0.000000e+00 7.569101e-06 ; 3.334894e-01 -7.569101e-06 1.334978e-03 5.568776e-04 0.000485 0.000060 True native_MD 7 270 314 - N_AB42_31 CG1_AB42_36 1 0.000000e+00 2.737279e-06 ; 3.063879e-01 -2.737279e-06 2.783258e-03 7.244998e-04 0.000485 0.000060 True native_MD 7 270 315 - N_AB42_31 CG2_AB42_36 1 0.000000e+00 2.739114e-06 ; 3.064050e-01 -2.739114e-06 2.292636e-03 9.027592e-04 0.000485 0.000060 True native_MD 7 270 316 + N_AB42_31 CB_AB42_36 1 0.000000e+00 7.569089e-06 ; 3.334893e-01 -7.569089e-06 1.334978e-03 5.568776e-04 0.000485 0.000060 True native_MD 7 270 314 + N_AB42_31 CG1_AB42_36 1 0.000000e+00 2.737253e-06 ; 3.063876e-01 -2.737253e-06 2.783258e-03 7.244998e-04 0.000485 0.000060 True native_MD 7 270 315 + N_AB42_31 CG2_AB42_36 1 0.000000e+00 2.739088e-06 ; 3.064048e-01 -2.739088e-06 2.292636e-03 9.027592e-04 0.000485 0.000060 True native_MD 7 270 316 N_AB42_31 O_AB42_36 1 2.620435e-04 1.890518e-07 ; 2.994801e-01 9.080421e-02 9.041398e-04 2.279733e-04 0.000485 0.002166 True native_MD 7 270 318 N_AB42_31 N_AB42_37 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 5.622837e-05 0.000000e+00 0.000485 0.000060 True native_MD 7 270 319 - N_AB42_31 CA_AB42_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 321 + N_AB42_31 CA_AB42_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 321 N_AB42_31 N_AB42_38 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 270 324 N_AB42_31 CA_AB42_38 1 1.640562e-03 5.721070e-06 ; 3.894163e-01 1.176110e-01 2.016668e-03 3.645158e-04 0.000485 0.001584 True native_MD 7 270 326 N_AB42_31 O_AB42_38 1 6.734229e-04 1.136219e-06 ; 3.450344e-01 9.978234e-02 1.182827e-03 2.233708e-04 0.000485 0.002166 True native_MD 7 270 328 N_AB42_31 N_AB42_39 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 3.322230e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 270 329 N_AB42_31 CA_AB42_39 1 2.855256e-03 2.335647e-05 ; 4.488766e-01 8.726156e-02 8.131917e-04 4.995703e-05 0.000485 0.001339 True native_MD 7 270 331 - N_AB42_31 CB_AB42_39 1 0.000000e+00 7.568345e-06 ; 3.334866e-01 -7.568345e-06 1.217699e-03 3.398190e-04 0.000485 0.000060 True native_MD 7 270 332 - N_AB42_31 CG1_AB42_39 1 0.000000e+00 2.743227e-06 ; 3.064433e-01 -2.743227e-06 6.184724e-04 7.280771e-04 0.000485 0.000060 True native_MD 7 270 333 - N_AB42_31 CG2_AB42_39 1 0.000000e+00 2.741139e-06 ; 3.064239e-01 -2.741139e-06 1.118840e-03 4.674009e-04 0.000485 0.000060 True native_MD 7 270 334 + N_AB42_31 CB_AB42_39 1 0.000000e+00 7.568333e-06 ; 3.334866e-01 -7.568333e-06 1.217699e-03 3.398190e-04 0.000485 0.000060 True native_MD 7 270 332 + N_AB42_31 CG1_AB42_39 1 0.000000e+00 2.743201e-06 ; 3.064431e-01 -2.743201e-06 6.184724e-04 7.280771e-04 0.000485 0.000060 True native_MD 7 270 333 + N_AB42_31 CG2_AB42_39 1 0.000000e+00 2.741113e-06 ; 3.064236e-01 -2.741113e-06 1.118840e-03 4.674009e-04 0.000485 0.000060 True native_MD 7 270 334 N_AB42_31 O_AB42_39 1 1.114744e-03 3.422751e-06 ; 3.812414e-01 9.076422e-02 9.030582e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 270 336 N_AB42_31 N_AB42_40 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 270 337 N_AB42_31 CA_AB42_40 1 3.148248e-03 2.835955e-05 ; 4.561473e-01 8.737323e-02 8.159138e-04 0.000000e+00 0.000485 0.001339 True native_MD 7 270 339 @@ -47918,14 +47918,14 @@ ND2_AB42_27 O2_AB42_42 1 1.206374e-04 3.081594e-08 ; 2.518927e-01 1.180670 N_AB42_31 CA_AB42_41 1 2.723556e-03 2.016751e-05 ; 4.414884e-01 9.195185e-02 9.357310e-04 5.393267e-05 0.000485 0.001339 True native_MD 7 270 347 N_AB42_31 CB_AB42_41 1 2.280714e-03 1.174716e-05 ; 4.155695e-01 1.107003e-01 1.639904e-03 2.377026e-05 0.000485 0.000060 True native_MD 7 270 348 N_AB42_31 CG1_AB42_41 1 9.561177e-04 3.133984e-06 ; 3.854170e-01 7.292323e-02 1.637744e-03 1.847086e-04 0.000485 0.000060 True native_MD 7 270 349 - N_AB42_31 CG2_AB42_41 1 0.000000e+00 2.741520e-06 ; 3.064274e-01 -2.741520e-06 7.800813e-04 2.672683e-04 0.000485 0.000060 True native_MD 7 270 350 - N_AB42_31 CD_AB42_41 1 0.000000e+00 2.736626e-06 ; 3.063818e-01 -2.736626e-06 2.797485e-03 5.004734e-04 0.000485 0.000060 True native_MD 7 270 351 + N_AB42_31 CG2_AB42_41 1 0.000000e+00 2.741494e-06 ; 3.064272e-01 -2.741494e-06 7.800813e-04 2.672683e-04 0.000485 0.000060 True native_MD 7 270 350 + N_AB42_31 CD_AB42_41 1 0.000000e+00 2.736600e-06 ; 3.063815e-01 -2.736600e-06 2.797485e-03 5.004734e-04 0.000485 0.000060 True native_MD 7 270 351 N_AB42_31 O_AB42_41 1 1.210581e-04 4.070794e-08 ; 2.637025e-01 9.000134e-02 8.826751e-04 6.815905e-05 0.000485 0.002166 True native_MD 7 270 353 N_AB42_31 N_AB42_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.376414e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 270 354 N_AB42_31 CA_AB42_42 1 1.168025e-03 4.045445e-06 ; 3.889726e-01 8.430979e-02 7.444400e-04 1.559112e-04 0.000485 0.001339 True native_MD 7 270 356 - N_AB42_31 CB_AB42_42 1 0.000000e+00 2.741604e-06 ; 3.064282e-01 -2.741604e-06 8.450273e-04 3.629857e-04 0.000485 0.000060 True native_MD 7 270 357 + N_AB42_31 CB_AB42_42 1 0.000000e+00 2.741578e-06 ; 3.064280e-01 -2.741578e-06 8.450273e-04 3.629857e-04 0.000485 0.000060 True native_MD 7 270 357 H_AB42_31 H_AB42_31 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 271 - H_AB42_31 O_AB42_31 1 0.000000e+00 1.973445e-08 ; 2.031252e-01 -1.973445e-08 1.813789e-01 4.532397e-01 0.000485 0.000060 True native_MD 4 271 278 + H_AB42_31 O_AB42_31 1 0.000000e+00 1.973476e-08 ; 2.031254e-01 -1.973476e-08 1.813789e-01 4.532397e-01 0.000485 0.000060 True native_MD 4 271 278 H_AB42_31 H_AB42_32 1 0.000000e+00 8.006581e-09 ; 1.884151e-01 -8.006581e-09 6.620306e-01 3.292457e-01 0.000485 0.000060 True native_MD 5 271 280 H_AB42_31 O_AB42_32 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 287 H_AB42_31 H_AB42_33 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 289 @@ -47949,14 +47949,14 @@ ND2_AB42_27 O2_AB42_42 1 1.206374e-04 3.081594e-08 ; 2.518927e-01 1.180670 H_AB42_31 H_AB42_42 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 355 H_AB42_31 O1_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 359 H_AB42_31 O2_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 360 - CA_AB42_31 CB_AB42_32 1 0.000000e+00 6.555590e-05 ; 3.992203e-01 -6.555590e-05 9.999961e-01 9.999986e-01 0.000485 0.000060 True native_MD 4 272 282 - CA_AB42_31 CG1_AB42_32 1 0.000000e+00 3.608051e-05 ; 3.798403e-01 -3.608051e-05 7.810070e-01 9.151273e-01 0.000485 0.000060 True native_MD 5 272 283 - CA_AB42_31 CG2_AB42_32 1 0.000000e+00 2.234930e-05 ; 3.649783e-01 -2.234930e-05 6.316355e-01 5.731378e-01 0.000485 0.000060 True native_MD 5 272 284 - CA_AB42_31 CD_AB42_32 1 0.000000e+00 2.320323e-05 ; 3.661205e-01 -2.320323e-05 2.733493e-01 2.508250e-01 0.000485 0.000060 True native_MD 6 272 285 - CA_AB42_31 C_AB42_32 1 0.000000e+00 1.305191e-05 ; 3.489805e-01 -1.305191e-05 9.999922e-01 9.999957e-01 0.000485 0.000060 True native_MD 4 272 286 - CA_AB42_31 O_AB42_32 1 0.000000e+00 4.569341e-06 ; 3.197541e-01 -4.569341e-06 4.810625e-01 5.811821e-01 0.000485 0.000060 True native_MD 5 272 287 - CA_AB42_31 N_AB42_33 1 0.000000e+00 6.503057e-06 ; 3.292973e-01 -6.503057e-06 6.680556e-01 5.265455e-01 0.000485 0.000060 True native_MD 5 272 288 - CA_AB42_31 CA_AB42_33 1 0.000000e+00 2.629612e-05 ; 3.699582e-01 -2.629612e-05 5.239328e-01 3.505000e-01 0.000485 0.000060 True native_MD 6 272 290 + CA_AB42_31 CB_AB42_32 1 0.000000e+00 6.555639e-05 ; 3.992206e-01 -6.555639e-05 9.999961e-01 9.999986e-01 0.000485 0.000060 True native_MD 4 272 282 + CA_AB42_31 CG1_AB42_32 1 0.000000e+00 3.608036e-05 ; 3.798402e-01 -3.608036e-05 7.810070e-01 9.151273e-01 0.000485 0.000060 True native_MD 5 272 283 + CA_AB42_31 CG2_AB42_32 1 0.000000e+00 2.234929e-05 ; 3.649782e-01 -2.234929e-05 6.316355e-01 5.731378e-01 0.000485 0.000060 True native_MD 5 272 284 + CA_AB42_31 CD_AB42_32 1 0.000000e+00 2.320322e-05 ; 3.661205e-01 -2.320322e-05 2.733493e-01 2.508250e-01 0.000485 0.000060 True native_MD 6 272 285 + CA_AB42_31 C_AB42_32 1 0.000000e+00 1.305184e-05 ; 3.489804e-01 -1.305184e-05 9.999922e-01 9.999957e-01 0.000485 0.000060 True native_MD 4 272 286 + CA_AB42_31 O_AB42_32 1 0.000000e+00 4.569377e-06 ; 3.197543e-01 -4.569377e-06 4.810625e-01 5.811821e-01 0.000485 0.000060 True native_MD 5 272 287 + CA_AB42_31 N_AB42_33 1 0.000000e+00 6.503046e-06 ; 3.292972e-01 -6.503046e-06 6.680556e-01 5.265455e-01 0.000485 0.000060 True native_MD 5 272 288 + CA_AB42_31 CA_AB42_33 1 0.000000e+00 2.629601e-05 ; 3.699581e-01 -2.629601e-05 5.239328e-01 3.505000e-01 0.000485 0.000060 True native_MD 6 272 290 CA_AB42_31 C_AB42_33 1 8.782532e-03 1.094509e-04 ; 4.815040e-01 1.761815e-01 2.471957e-01 2.843851e-02 0.000485 0.001339 True native_MD 7 272 291 CA_AB42_31 O_AB42_33 1 1.717334e-03 8.872388e-06 ; 4.157806e-01 8.310157e-02 1.343096e-02 2.504443e-02 0.000485 0.001339 True native_MD 7 272 292 CA_AB42_31 N_AB42_34 1 3.222746e-03 1.510979e-05 ; 4.091087e-01 1.718437e-01 4.434434e-01 5.808787e-02 0.000485 0.001339 True native_MD 7 272 293 @@ -48013,50 +48013,50 @@ ND2_AB42_27 O2_AB42_42 1 1.206374e-04 3.081594e-08 ; 2.518927e-01 1.180670 CA_AB42_31 O_AB42_41 1 5.587715e-04 6.896366e-07 ; 3.275149e-01 1.131848e-01 1.766481e-03 2.036829e-04 0.000485 0.001339 True native_MD 7 272 353 CA_AB42_31 CA_AB42_42 1 3.900415e-03 3.505079e-05 ; 4.559646e-01 1.085085e-01 3.604188e-03 2.071332e-03 0.000485 0.000883 True native_MD 7 272 356 CA_AB42_31 CB_AB42_42 1 3.044786e-03 1.684095e-05 ; 4.205345e-01 1.376218e-01 4.346158e-03 2.288278e-03 0.000485 0.001932 True native_MD 7 272 357 - CB_AB42_31 C_AB42_31 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 277 + CB_AB42_31 C_AB42_31 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 277 CB_AB42_31 O_AB42_31 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 278 - CB_AB42_31 N_AB42_32 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 279 - CB_AB42_31 CA_AB42_32 1 0.000000e+00 6.555615e-05 ; 3.992205e-01 -6.555615e-05 9.999938e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 273 281 - CB_AB42_31 CB_AB42_32 1 0.000000e+00 6.543529e-05 ; 3.991591e-01 -6.543529e-05 9.999654e-01 9.981280e-01 0.000485 0.000060 True native_MD 5 273 282 - CB_AB42_31 CG1_AB42_32 1 0.000000e+00 3.398038e-05 ; 3.779468e-01 -3.398038e-05 5.149225e-01 5.830292e-01 0.000485 0.000060 True native_MD 6 273 283 - CB_AB42_31 CG2_AB42_32 1 0.000000e+00 2.028265e-05 ; 3.620390e-01 -2.028265e-05 3.717901e-01 2.262314e-01 0.000485 0.000060 True native_MD 6 273 284 + CB_AB42_31 N_AB42_32 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 279 + CB_AB42_31 CA_AB42_32 1 0.000000e+00 6.555663e-05 ; 3.992207e-01 -6.555663e-05 9.999938e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 273 281 + CB_AB42_31 CB_AB42_32 1 0.000000e+00 6.543577e-05 ; 3.991593e-01 -6.543577e-05 9.999654e-01 9.981280e-01 0.000485 0.000060 True native_MD 5 273 282 + CB_AB42_31 CG1_AB42_32 1 0.000000e+00 3.398023e-05 ; 3.779467e-01 -3.398023e-05 5.149225e-01 5.830292e-01 0.000485 0.000060 True native_MD 6 273 283 + CB_AB42_31 CG2_AB42_32 1 0.000000e+00 2.028264e-05 ; 3.620390e-01 -2.028264e-05 3.717901e-01 2.262314e-01 0.000485 0.000060 True native_MD 6 273 284 CB_AB42_31 CD_AB42_32 1 4.042782e-03 2.961754e-05 ; 4.407018e-01 1.379595e-01 1.844090e-01 9.611607e-02 0.000485 0.001932 True native_MD 7 273 285 - CB_AB42_31 C_AB42_32 1 0.000000e+00 1.314809e-05 ; 3.491941e-01 -1.314809e-05 7.031717e-01 7.105445e-01 0.000485 0.000060 True native_MD 5 273 286 - CB_AB42_31 O_AB42_32 1 0.000000e+00 4.751695e-06 ; 3.207985e-01 -4.751695e-06 1.449996e-01 2.890230e-01 0.000485 0.000060 True native_MD 6 273 287 - CB_AB42_31 N_AB42_33 1 0.000000e+00 8.385507e-06 ; 3.363482e-01 -8.385507e-06 1.321780e-01 2.391764e-01 0.000485 0.000060 True native_MD 6 273 288 - CB_AB42_31 CA_AB42_33 1 0.000000e+00 3.564728e-05 ; 3.794581e-01 -3.564728e-05 8.704913e-02 2.075517e-01 0.000485 0.001021 True native_MD 7 273 290 - CB_AB42_31 C_AB42_33 1 0.000000e+00 1.313656e-05 ; 3.491686e-01 -1.313656e-05 3.582811e-02 4.231685e-02 0.000485 0.000060 True native_MD 7 273 291 + CB_AB42_31 C_AB42_32 1 0.000000e+00 1.314803e-05 ; 3.491940e-01 -1.314803e-05 7.031717e-01 7.105445e-01 0.000485 0.000060 True native_MD 5 273 286 + CB_AB42_31 O_AB42_32 1 0.000000e+00 4.751733e-06 ; 3.207987e-01 -4.751733e-06 1.449996e-01 2.890230e-01 0.000485 0.000060 True native_MD 6 273 287 + CB_AB42_31 N_AB42_33 1 0.000000e+00 8.385494e-06 ; 3.363482e-01 -8.385494e-06 1.321780e-01 2.391764e-01 0.000485 0.000060 True native_MD 6 273 288 + CB_AB42_31 CA_AB42_33 1 0.000000e+00 3.564713e-05 ; 3.794580e-01 -3.564713e-05 8.704913e-02 2.075517e-01 0.000485 0.001021 True native_MD 7 273 290 + CB_AB42_31 C_AB42_33 1 0.000000e+00 1.313649e-05 ; 3.491684e-01 -1.313649e-05 3.582811e-02 4.231685e-02 0.000485 0.000060 True native_MD 7 273 291 CB_AB42_31 O_AB42_33 1 1.210893e-03 4.345007e-06 ; 3.912738e-01 8.436478e-02 1.972508e-02 3.149382e-02 0.000485 0.001191 True native_MD 7 273 292 - CB_AB42_31 N_AB42_34 1 0.000000e+00 7.201171e-06 ; 3.321074e-01 -7.201171e-06 8.283954e-02 3.348989e-02 0.000485 0.000060 True native_MD 7 273 293 + CB_AB42_31 N_AB42_34 1 0.000000e+00 7.201160e-06 ; 3.321074e-01 -7.201160e-06 8.283954e-02 3.348989e-02 0.000485 0.000060 True native_MD 7 273 293 CB_AB42_31 CA_AB42_34 1 8.625980e-03 1.423151e-04 ; 5.045534e-01 1.307091e-01 2.968629e-01 8.779401e-02 0.000485 0.000883 True native_MD 7 273 295 CB_AB42_31 CB_AB42_34 1 2.704219e-03 1.295466e-05 ; 4.105796e-01 1.411230e-01 3.929231e-01 9.842151e-02 0.000485 0.001021 True native_MD 7 273 296 CB_AB42_31 CG_AB42_34 1 3.361243e-03 2.316245e-05 ; 4.362286e-01 1.219426e-01 3.999259e-01 1.537531e-01 0.000485 0.000883 True native_MD 7 273 297 CB_AB42_31 CD1_AB42_34 1 2.234916e-03 8.468838e-06 ; 3.948454e-01 1.474479e-01 2.762957e-01 1.084103e-01 0.000485 0.001932 True native_MD 7 273 298 CB_AB42_31 CD2_AB42_34 1 2.414621e-03 1.000172e-05 ; 4.007476e-01 1.457348e-01 1.467580e-01 6.061260e-02 0.000485 0.001932 True native_MD 7 273 299 - CB_AB42_31 C_AB42_34 1 0.000000e+00 1.298158e-05 ; 3.488234e-01 -1.298158e-05 1.876685e-02 1.338192e-02 0.000485 0.000060 True native_MD 7 273 300 - CB_AB42_31 O_AB42_34 1 0.000000e+00 4.209635e-06 ; 3.175768e-01 -4.209635e-06 5.761319e-03 1.927775e-02 0.000485 0.001191 True native_MD 7 273 301 - CB_AB42_31 N_AB42_35 1 0.000000e+00 7.419756e-06 ; 3.329360e-01 -7.419756e-06 2.430613e-02 3.812597e-03 0.000485 0.000060 True native_MD 7 273 302 + CB_AB42_31 C_AB42_34 1 0.000000e+00 1.298151e-05 ; 3.488233e-01 -1.298151e-05 1.876685e-02 1.338192e-02 0.000485 0.000060 True native_MD 7 273 300 + CB_AB42_31 O_AB42_34 1 0.000000e+00 4.209668e-06 ; 3.175770e-01 -4.209668e-06 5.761319e-03 1.927775e-02 0.000485 0.001191 True native_MD 7 273 301 + CB_AB42_31 N_AB42_35 1 0.000000e+00 7.419745e-06 ; 3.329360e-01 -7.419745e-06 2.430613e-02 3.812597e-03 0.000485 0.000060 True native_MD 7 273 302 CB_AB42_31 CA_AB42_35 1 8.653109e-03 1.493345e-04 ; 5.083522e-01 1.253500e-01 6.956325e-02 2.415126e-02 0.000485 0.000883 True native_MD 7 273 304 CB_AB42_31 CB_AB42_35 1 4.648326e-03 3.802634e-05 ; 4.488811e-01 1.420524e-01 9.231738e-02 2.248984e-02 0.000485 0.001021 True native_MD 7 273 305 CB_AB42_31 CG_AB42_35 1 4.519809e-03 3.297914e-05 ; 4.404060e-01 1.548605e-01 1.762603e-01 2.926811e-02 0.000485 0.001021 True native_MD 7 273 306 - CB_AB42_31 SD_AB42_35 1 0.000000e+00 1.243425e-05 ; 3.475735e-01 -1.243425e-05 9.014208e-02 2.062098e-02 0.000485 0.000060 True native_MD 7 273 307 + CB_AB42_31 SD_AB42_35 1 0.000000e+00 1.243437e-05 ; 3.475738e-01 -1.243437e-05 9.014208e-02 2.062098e-02 0.000485 0.000060 True native_MD 7 273 307 CB_AB42_31 CE_AB42_35 1 3.523240e-03 1.765041e-05 ; 4.136523e-01 1.758205e-01 1.880534e-01 3.156662e-02 0.000485 0.001932 True native_MD 7 273 308 - CB_AB42_31 C_AB42_35 1 0.000000e+00 1.307772e-05 ; 3.490380e-01 -1.307772e-05 1.672091e-03 3.653077e-03 0.000485 0.000060 True native_MD 7 273 309 - CB_AB42_31 O_AB42_35 1 0.000000e+00 4.170454e-06 ; 3.173294e-01 -4.170454e-06 1.774300e-03 5.857431e-03 0.000485 0.001191 True native_MD 7 273 310 - CB_AB42_31 N_AB42_36 1 0.000000e+00 7.575512e-06 ; 3.335129e-01 -7.575512e-06 1.112963e-03 1.181240e-03 0.000485 0.000060 True native_MD 7 273 311 + CB_AB42_31 C_AB42_35 1 0.000000e+00 1.307765e-05 ; 3.490378e-01 -1.307765e-05 1.672091e-03 3.653077e-03 0.000485 0.000060 True native_MD 7 273 309 + CB_AB42_31 O_AB42_35 1 0.000000e+00 4.170487e-06 ; 3.173296e-01 -4.170487e-06 1.774300e-03 5.857431e-03 0.000485 0.001191 True native_MD 7 273 310 + CB_AB42_31 N_AB42_36 1 0.000000e+00 7.575500e-06 ; 3.335129e-01 -7.575500e-06 1.112963e-03 1.181240e-03 0.000485 0.000060 True native_MD 7 273 311 CB_AB42_31 CA_AB42_36 1 6.107508e-03 1.123843e-04 ; 5.138151e-01 8.297794e-02 9.180660e-03 1.132736e-02 0.000485 0.000883 True native_MD 7 273 313 CB_AB42_31 CB_AB42_36 1 2.843967e-03 2.283036e-05 ; 4.474708e-01 8.856789e-02 1.913893e-02 1.997661e-02 0.000485 0.000883 True native_MD 7 273 314 CB_AB42_31 CG1_AB42_36 1 1.476103e-03 4.826336e-06 ; 3.852567e-01 1.128640e-01 1.450766e-02 1.602393e-02 0.000485 0.001932 True native_MD 7 273 315 CB_AB42_31 CG2_AB42_36 1 1.488485e-03 4.686015e-06 ; 3.828334e-01 1.182022e-01 1.948013e-02 1.833941e-02 0.000485 0.001932 True native_MD 7 273 316 - CB_AB42_31 C_AB42_36 1 0.000000e+00 1.304409e-05 ; 3.489631e-01 -1.304409e-05 2.891841e-03 2.296186e-03 0.000485 0.000060 True native_MD 7 273 317 + CB_AB42_31 C_AB42_36 1 0.000000e+00 1.304402e-05 ; 3.489629e-01 -1.304402e-05 2.891841e-03 2.296186e-03 0.000485 0.000060 True native_MD 7 273 317 CB_AB42_31 O_AB42_36 1 7.069101e-04 1.434081e-06 ; 3.557964e-01 8.711533e-02 2.177373e-03 3.201779e-03 0.000485 0.001191 True native_MD 7 273 318 - CB_AB42_31 N_AB42_37 1 0.000000e+00 7.569640e-06 ; 3.334914e-01 -7.569640e-06 2.689067e-03 1.982181e-03 0.000485 0.000060 True native_MD 7 273 319 + CB_AB42_31 N_AB42_37 1 0.000000e+00 7.569628e-06 ; 3.334913e-01 -7.569628e-06 2.689067e-03 1.982181e-03 0.000485 0.000060 True native_MD 7 273 319 CB_AB42_31 CA_AB42_37 1 1.698441e-03 9.330622e-06 ; 4.200587e-01 7.729123e-02 5.782739e-03 9.783997e-03 0.000485 0.001021 True native_MD 7 273 321 - CB_AB42_31 C_AB42_37 1 0.000000e+00 1.307645e-05 ; 3.490351e-01 -1.307645e-05 2.465575e-03 4.348941e-03 0.000485 0.000060 True native_MD 7 273 322 - CB_AB42_31 O_AB42_37 1 0.000000e+00 4.164460e-06 ; 3.172913e-01 -4.164460e-06 1.117783e-03 3.757767e-03 0.000485 0.001191 True native_MD 7 273 323 - CB_AB42_31 N_AB42_38 1 0.000000e+00 7.577917e-06 ; 3.335217e-01 -7.577917e-06 1.445780e-03 1.831592e-03 0.000485 0.000060 True native_MD 7 273 324 + CB_AB42_31 C_AB42_37 1 0.000000e+00 1.307638e-05 ; 3.490350e-01 -1.307638e-05 2.465575e-03 4.348941e-03 0.000485 0.000060 True native_MD 7 273 322 + CB_AB42_31 O_AB42_37 1 0.000000e+00 4.164493e-06 ; 3.172916e-01 -4.164493e-06 1.117783e-03 3.757767e-03 0.000485 0.001191 True native_MD 7 273 323 + CB_AB42_31 N_AB42_38 1 0.000000e+00 7.577905e-06 ; 3.335217e-01 -7.577905e-06 1.445780e-03 1.831592e-03 0.000485 0.000060 True native_MD 7 273 324 CB_AB42_31 CA_AB42_38 1 2.891574e-03 2.092811e-05 ; 4.398109e-01 9.988002e-02 1.017180e-02 8.753900e-03 0.000485 0.001021 True native_MD 7 273 326 - CB_AB42_31 C_AB42_38 1 0.000000e+00 1.302581e-05 ; 3.489223e-01 -1.302581e-05 4.514927e-03 2.518988e-03 0.000485 0.000060 True native_MD 7 273 327 + CB_AB42_31 C_AB42_38 1 0.000000e+00 1.302575e-05 ; 3.489222e-01 -1.302575e-05 4.514927e-03 2.518988e-03 0.000485 0.000060 True native_MD 7 273 327 CB_AB42_31 O_AB42_38 1 1.145409e-03 3.037603e-06 ; 3.720447e-01 1.079768e-01 3.212303e-03 2.530149e-03 0.000485 0.001191 True native_MD 7 273 328 CB_AB42_31 N_AB42_39 1 1.823144e-03 1.145749e-05 ; 4.295807e-01 7.252581e-02 2.850611e-03 3.253451e-04 0.000485 0.000060 True native_MD 7 273 329 CB_AB42_31 CA_AB42_39 1 7.294860e-03 1.187422e-04 ; 5.034210e-01 1.120389e-01 7.622160e-03 3.941279e-03 0.000485 0.000883 True native_MD 7 273 331 @@ -48065,12 +48065,12 @@ ND2_AB42_27 O2_AB42_42 1 1.206374e-04 3.081594e-08 ; 2.518927e-01 1.180670 CB_AB42_31 CG2_AB42_39 1 1.832969e-03 6.684653e-06 ; 3.923322e-01 1.256526e-01 1.015843e-02 7.652252e-03 0.000485 0.001932 True native_MD 7 273 334 CB_AB42_31 C_AB42_39 1 2.267203e-03 1.650311e-05 ; 4.402296e-01 7.786728e-02 2.719285e-03 2.645085e-04 0.000485 0.000060 True native_MD 7 273 335 CB_AB42_31 O_AB42_39 1 8.623331e-04 1.430846e-06 ; 3.440749e-01 1.299264e-01 2.915365e-03 4.331394e-04 0.000485 0.001191 True native_MD 7 273 336 - CB_AB42_31 N_AB42_40 1 0.000000e+00 7.568894e-06 ; 3.334886e-01 -7.568894e-06 9.556654e-04 1.502742e-04 0.000485 0.000060 True native_MD 7 273 337 + CB_AB42_31 N_AB42_40 1 0.000000e+00 7.568882e-06 ; 3.334886e-01 -7.568882e-06 9.556654e-04 1.502742e-04 0.000485 0.000060 True native_MD 7 273 337 CB_AB42_31 CA_AB42_40 1 6.485681e-03 7.925326e-05 ; 4.799289e-01 1.326887e-01 8.654789e-03 2.412330e-03 0.000485 0.000883 True native_MD 7 273 339 CB_AB42_31 CB_AB42_40 1 6.440039e-03 7.952392e-05 ; 4.807673e-01 1.303825e-01 1.918801e-02 5.730387e-03 0.000485 0.000883 True native_MD 7 273 340 CB_AB42_31 CG1_AB42_40 1 2.603041e-03 1.053886e-05 ; 3.992260e-01 1.607342e-01 1.723752e-02 4.544577e-03 0.000485 0.001932 True native_MD 7 273 341 CB_AB42_31 CG2_AB42_40 1 2.967534e-03 1.353990e-05 ; 4.072583e-01 1.625983e-01 2.085713e-02 5.200515e-03 0.000485 0.001932 True native_MD 7 273 342 - CB_AB42_31 C_AB42_40 1 0.000000e+00 1.303009e-05 ; 3.489318e-01 -1.303009e-05 1.968471e-03 2.999514e-04 0.000485 0.000060 True native_MD 7 273 343 + CB_AB42_31 C_AB42_40 1 0.000000e+00 1.303002e-05 ; 3.489317e-01 -1.303002e-05 1.968471e-03 2.999514e-04 0.000485 0.000060 True native_MD 7 273 343 CB_AB42_31 O_AB42_40 1 7.959932e-04 1.613879e-06 ; 3.557626e-01 9.814942e-02 1.126416e-03 6.950816e-04 0.000485 0.001191 True native_MD 7 273 344 CB_AB42_31 N_AB42_41 1 1.749050e-03 7.594523e-06 ; 4.039085e-01 1.007034e-01 1.215884e-03 1.930283e-05 0.000485 0.000060 True native_MD 7 273 345 CB_AB42_31 CA_AB42_41 1 7.258359e-03 9.491426e-05 ; 4.853803e-01 1.387667e-01 8.952367e-03 2.080292e-03 0.000485 0.000883 True native_MD 7 273 347 @@ -48078,72 +48078,72 @@ ND2_AB42_27 O2_AB42_42 1 1.206374e-04 3.081594e-08 ; 2.518927e-01 1.180670 CB_AB42_31 CG1_AB42_41 1 3.992947e-03 2.503957e-05 ; 4.294265e-01 1.591843e-01 2.464802e-02 3.596068e-03 0.000485 0.001021 True native_MD 7 273 349 CB_AB42_31 CG2_AB42_41 1 3.482333e-03 1.732611e-05 ; 4.131792e-01 1.749764e-01 2.344281e-02 4.035783e-03 0.000485 0.001932 True native_MD 7 273 350 CB_AB42_31 CD_AB42_41 1 2.523224e-03 9.615176e-06 ; 3.952151e-01 1.655367e-01 2.685803e-02 6.133048e-03 0.000485 0.001932 True native_MD 7 273 351 - CB_AB42_31 C_AB42_41 1 0.000000e+00 1.303039e-05 ; 3.489325e-01 -1.303039e-05 2.078263e-03 4.328459e-04 0.000485 0.000060 True native_MD 7 273 352 + CB_AB42_31 C_AB42_41 1 0.000000e+00 1.303032e-05 ; 3.489324e-01 -1.303032e-05 2.078263e-03 4.328459e-04 0.000485 0.000060 True native_MD 7 273 352 CB_AB42_31 O_AB42_41 1 8.461574e-04 1.388310e-06 ; 3.434308e-01 1.289306e-01 2.829772e-03 7.786356e-04 0.000485 0.001191 True native_MD 7 273 353 - CB_AB42_31 N_AB42_42 1 0.000000e+00 7.570615e-06 ; 3.334950e-01 -7.570615e-06 7.697301e-04 1.915386e-04 0.000485 0.000060 True native_MD 7 273 354 + CB_AB42_31 N_AB42_42 1 0.000000e+00 7.570603e-06 ; 3.334949e-01 -7.570603e-06 7.697301e-04 1.915386e-04 0.000485 0.000060 True native_MD 7 273 354 CB_AB42_31 CA_AB42_42 1 2.761739e-03 1.777001e-05 ; 4.312716e-01 1.073044e-01 5.383760e-03 3.207583e-03 0.000485 0.000883 True native_MD 7 273 356 CB_AB42_31 CB_AB42_42 1 2.504308e-03 1.123602e-05 ; 4.061197e-01 1.395414e-01 5.802325e-03 2.884405e-03 0.000485 0.001932 True native_MD 7 273 357 - CB_AB42_31 C_AB42_42 1 0.000000e+00 1.305625e-05 ; 3.489902e-01 -1.305625e-05 6.915722e-04 1.027672e-03 0.000485 0.000060 True native_MD 7 273 358 - CB_AB42_31 O1_AB42_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 359 - CB_AB42_31 O2_AB42_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 360 -CG1_AB42_31 C_AB42_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 277 -CG1_AB42_31 O_AB42_31 1 0.000000e+00 1.985352e-06 ; 2.982965e-01 -1.985352e-06 9.814540e-01 9.664194e-01 0.000485 0.000060 True native_MD 4 274 278 -CG1_AB42_31 N_AB42_32 1 0.000000e+00 3.647686e-06 ; 3.138074e-01 -3.647686e-06 9.965637e-01 9.888392e-01 0.000485 0.000060 True native_MD 4 274 279 -CG1_AB42_31 CA_AB42_32 1 0.000000e+00 2.868456e-05 ; 3.726482e-01 -2.868456e-05 8.455310e-01 7.471740e-01 0.000485 0.000060 True native_MD 5 274 281 -CG1_AB42_31 CB_AB42_32 1 0.000000e+00 2.946180e-05 ; 3.734794e-01 -2.946180e-05 3.470766e-01 2.731508e-01 0.000485 0.000060 True native_MD 6 274 282 + CB_AB42_31 C_AB42_42 1 0.000000e+00 1.305618e-05 ; 3.489900e-01 -1.305618e-05 6.915722e-04 1.027672e-03 0.000485 0.000060 True native_MD 7 273 358 + CB_AB42_31 O1_AB42_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 359 + CB_AB42_31 O2_AB42_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 360 +CG1_AB42_31 C_AB42_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 277 +CG1_AB42_31 O_AB42_31 1 0.000000e+00 1.985344e-06 ; 2.982964e-01 -1.985344e-06 9.814540e-01 9.664194e-01 0.000485 0.000060 True native_MD 4 274 278 +CG1_AB42_31 N_AB42_32 1 0.000000e+00 3.647638e-06 ; 3.138070e-01 -3.647638e-06 9.965637e-01 9.888392e-01 0.000485 0.000060 True native_MD 4 274 279 +CG1_AB42_31 CA_AB42_32 1 0.000000e+00 2.868444e-05 ; 3.726481e-01 -2.868444e-05 8.455310e-01 7.471740e-01 0.000485 0.000060 True native_MD 5 274 281 +CG1_AB42_31 CB_AB42_32 1 0.000000e+00 2.946168e-05 ; 3.734792e-01 -2.946168e-05 3.470766e-01 2.731508e-01 0.000485 0.000060 True native_MD 6 274 282 CG1_AB42_31 CG1_AB42_32 1 1.589397e-03 6.290702e-06 ; 3.977204e-01 1.003934e-01 1.596147e-01 1.577031e-01 0.000485 0.001190 True native_MD 7 274 283 CG1_AB42_31 CG2_AB42_32 1 2.225334e-03 8.827951e-06 ; 3.978727e-01 1.402395e-01 1.283709e-01 7.541581e-02 0.000485 0.002332 True native_MD 7 274 284 CG1_AB42_31 CD_AB42_32 1 1.762236e-03 5.546746e-06 ; 3.828210e-01 1.399683e-01 9.926971e-02 5.879452e-02 0.000485 0.002332 True native_MD 7 274 285 -CG1_AB42_31 C_AB42_32 1 0.000000e+00 6.968369e-06 ; 3.311992e-01 -6.968369e-06 1.028137e-01 2.029735e-01 0.000485 0.000060 True native_MD 6 274 286 +CG1_AB42_31 C_AB42_32 1 0.000000e+00 6.968252e-06 ; 3.311987e-01 -6.968252e-06 1.028137e-01 2.029735e-01 0.000485 0.000060 True native_MD 6 274 286 CG1_AB42_31 O_AB42_32 1 4.580809e-04 6.299624e-07 ; 3.334741e-01 8.327404e-02 6.841765e-02 1.128625e-01 0.000485 0.001191 True native_MD 7 274 287 -CG1_AB42_31 N_AB42_33 1 0.000000e+00 3.872845e-06 ; 3.153776e-01 -3.872845e-06 3.855995e-02 9.208512e-02 0.000485 0.000060 True native_MD 7 274 288 +CG1_AB42_31 N_AB42_33 1 0.000000e+00 3.872794e-06 ; 3.153773e-01 -3.872794e-06 3.855995e-02 9.208512e-02 0.000485 0.000060 True native_MD 7 274 288 CG1_AB42_31 CA_AB42_33 1 1.466984e-03 7.465598e-06 ; 4.147374e-01 7.206528e-02 4.148916e-02 9.569158e-02 0.000485 0.001190 True native_MD 7 274 290 -CG1_AB42_31 C_AB42_33 1 0.000000e+00 6.374146e-06 ; 3.287483e-01 -6.374146e-06 2.182231e-02 2.816665e-02 0.000485 0.000060 True native_MD 7 274 291 +CG1_AB42_31 C_AB42_33 1 0.000000e+00 6.374039e-06 ; 3.287478e-01 -6.374039e-06 2.182231e-02 2.816665e-02 0.000485 0.000060 True native_MD 7 274 291 CG1_AB42_31 O_AB42_33 1 3.323152e-04 3.361949e-07 ; 3.168401e-01 8.212007e-02 1.075005e-02 1.835650e-02 0.000485 0.001191 True native_MD 7 274 292 -CG1_AB42_31 N_AB42_34 1 0.000000e+00 3.656257e-06 ; 3.138687e-01 -3.656257e-06 2.215689e-02 1.676402e-02 0.000485 0.000060 True native_MD 7 274 293 +CG1_AB42_31 N_AB42_34 1 0.000000e+00 3.656209e-06 ; 3.138684e-01 -3.656209e-06 2.215689e-02 1.676402e-02 0.000485 0.000060 True native_MD 7 274 293 CG1_AB42_31 CA_AB42_34 1 4.658477e-03 4.400540e-05 ; 4.597732e-01 1.232883e-01 9.577891e-02 4.091138e-02 0.000485 0.001021 True native_MD 7 274 295 CG1_AB42_31 CB_AB42_34 1 2.020367e-03 6.928381e-06 ; 3.883294e-01 1.472884e-01 1.910200e-01 4.638395e-02 0.000485 0.001190 True native_MD 7 274 296 CG1_AB42_31 CG_AB42_34 1 2.939288e-03 1.633175e-05 ; 4.208543e-01 1.322487e-01 2.396633e-01 7.829256e-02 0.000485 0.001021 True native_MD 7 274 297 CG1_AB42_31 CD1_AB42_34 1 1.928743e-03 5.934219e-06 ; 3.813715e-01 1.567203e-01 1.726833e-01 6.195137e-02 0.000485 0.002332 True native_MD 7 274 298 CG1_AB42_31 CD2_AB42_34 1 2.213075e-03 7.821547e-06 ; 3.902858e-01 1.565452e-01 1.075303e-01 3.877995e-02 0.000485 0.002332 True native_MD 7 274 299 -CG1_AB42_31 C_AB42_34 1 0.000000e+00 6.332421e-06 ; 3.285684e-01 -6.332421e-06 8.815041e-03 8.571870e-03 0.000485 0.000060 True native_MD 7 274 300 -CG1_AB42_31 O_AB42_34 1 0.000000e+00 2.031276e-06 ; 2.988655e-01 -2.031276e-06 3.687925e-03 1.143733e-02 0.000485 0.001191 True native_MD 7 274 301 -CG1_AB42_31 N_AB42_35 1 0.000000e+00 3.634938e-06 ; 3.137158e-01 -3.634938e-06 1.375841e-02 2.566031e-03 0.000485 0.000060 True native_MD 7 274 302 +CG1_AB42_31 C_AB42_34 1 0.000000e+00 6.332315e-06 ; 3.285680e-01 -6.332315e-06 8.815041e-03 8.571870e-03 0.000485 0.000060 True native_MD 7 274 300 +CG1_AB42_31 O_AB42_34 1 0.000000e+00 2.031269e-06 ; 2.988654e-01 -2.031269e-06 3.687925e-03 1.143733e-02 0.000485 0.001191 True native_MD 7 274 301 +CG1_AB42_31 N_AB42_35 1 0.000000e+00 3.634890e-06 ; 3.137155e-01 -3.634890e-06 1.375841e-02 2.566031e-03 0.000485 0.000060 True native_MD 7 274 302 CG1_AB42_31 CA_AB42_35 1 5.247988e-03 5.189473e-05 ; 4.632923e-01 1.326791e-01 5.135108e-02 1.656055e-02 0.000485 0.001021 True native_MD 7 274 304 CG1_AB42_31 CB_AB42_35 1 2.600212e-03 1.106938e-05 ; 4.025802e-01 1.526983e-01 7.177742e-02 1.482403e-02 0.000485 0.001190 True native_MD 7 274 305 CG1_AB42_31 CG_AB42_35 1 2.232758e-03 7.712970e-06 ; 3.888033e-01 1.615853e-01 1.221799e-01 1.934094e-02 0.000485 0.001190 True native_MD 7 274 306 -CG1_AB42_31 SD_AB42_35 1 0.000000e+00 6.036117e-06 ; 3.272589e-01 -6.036117e-06 8.345641e-02 1.422543e-02 0.000485 0.000060 True native_MD 7 274 307 +CG1_AB42_31 SD_AB42_35 1 0.000000e+00 6.036107e-06 ; 3.272589e-01 -6.036107e-06 8.345641e-02 1.422543e-02 0.000485 0.000060 True native_MD 7 274 307 CG1_AB42_31 CE_AB42_35 1 1.694337e-03 3.920157e-06 ; 3.636782e-01 1.830779e-01 1.367202e-01 2.228804e-02 0.000485 0.002332 True native_MD 7 274 308 -CG1_AB42_31 C_AB42_35 1 0.000000e+00 6.342308e-06 ; 3.286111e-01 -6.342308e-06 1.958172e-03 3.275964e-03 0.000485 0.000060 True native_MD 7 274 309 -CG1_AB42_31 O_AB42_35 1 0.000000e+00 2.022805e-06 ; 2.987614e-01 -2.022805e-06 1.318607e-03 4.865382e-03 0.000485 0.001191 True native_MD 7 274 310 -CG1_AB42_31 N_AB42_36 1 0.000000e+00 3.675157e-06 ; 3.140036e-01 -3.675157e-06 1.200573e-03 9.490581e-04 0.000485 0.000060 True native_MD 7 274 311 +CG1_AB42_31 C_AB42_35 1 0.000000e+00 6.342201e-06 ; 3.286107e-01 -6.342201e-06 1.958172e-03 3.275964e-03 0.000485 0.000060 True native_MD 7 274 309 +CG1_AB42_31 O_AB42_35 1 0.000000e+00 2.022798e-06 ; 2.987613e-01 -2.022798e-06 1.318607e-03 4.865382e-03 0.000485 0.001191 True native_MD 7 274 310 +CG1_AB42_31 N_AB42_36 1 0.000000e+00 3.675109e-06 ; 3.140033e-01 -3.675109e-06 1.200573e-03 9.490581e-04 0.000485 0.000060 True native_MD 7 274 311 CG1_AB42_31 CA_AB42_36 1 3.246134e-03 3.216166e-05 ; 4.634419e-01 8.190952e-02 5.923799e-03 8.728923e-03 0.000485 0.001021 True native_MD 7 274 313 CG1_AB42_31 CB_AB42_36 1 2.389093e-03 1.440395e-05 ; 4.266202e-01 9.906596e-02 1.540852e-02 1.358766e-02 0.000485 0.001021 True native_MD 7 274 314 CG1_AB42_31 CG1_AB42_36 1 1.151750e-03 2.750150e-06 ; 3.655945e-01 1.205868e-01 1.103159e-02 1.166952e-02 0.000485 0.002332 True native_MD 7 274 315 CG1_AB42_31 CG2_AB42_36 1 1.060675e-03 2.240323e-06 ; 3.581965e-01 1.255435e-01 1.401804e-02 1.278445e-02 0.000485 0.002332 True native_MD 7 274 316 -CG1_AB42_31 C_AB42_36 1 0.000000e+00 6.334962e-06 ; 3.285794e-01 -6.334962e-06 1.831987e-03 1.989958e-03 0.000485 0.000060 True native_MD 7 274 317 +CG1_AB42_31 C_AB42_36 1 0.000000e+00 6.334855e-06 ; 3.285789e-01 -6.334855e-06 1.831987e-03 1.989958e-03 0.000485 0.000060 True native_MD 7 274 317 CG1_AB42_31 O_AB42_36 1 4.018935e-04 4.611489e-07 ; 3.235602e-01 8.756302e-02 1.647606e-03 2.390521e-03 0.000485 0.001191 True native_MD 7 274 318 -CG1_AB42_31 N_AB42_37 1 0.000000e+00 3.675771e-06 ; 3.140080e-01 -3.675771e-06 1.814793e-03 1.730305e-03 0.000485 0.000060 True native_MD 7 274 319 +CG1_AB42_31 N_AB42_37 1 0.000000e+00 3.675723e-06 ; 3.140077e-01 -3.675723e-06 1.814793e-03 1.730305e-03 0.000485 0.000060 True native_MD 7 274 319 CG1_AB42_31 CA_AB42_37 1 8.850520e-04 2.294592e-06 ; 3.706433e-01 8.534382e-02 4.482791e-03 6.948816e-03 0.000485 0.001190 True native_MD 7 274 321 -CG1_AB42_31 C_AB42_37 1 0.000000e+00 6.337384e-06 ; 3.285899e-01 -6.337384e-06 2.445041e-03 2.985414e-03 0.000485 0.000060 True native_MD 7 274 322 -CG1_AB42_31 O_AB42_37 1 0.000000e+00 2.019805e-06 ; 2.987245e-01 -2.019805e-06 8.723439e-04 2.930574e-03 0.000485 0.001191 True native_MD 7 274 323 -CG1_AB42_31 N_AB42_38 1 0.000000e+00 3.672390e-06 ; 3.139839e-01 -3.672390e-06 1.977359e-03 9.729910e-04 0.000485 0.000060 True native_MD 7 274 324 +CG1_AB42_31 C_AB42_37 1 0.000000e+00 6.337277e-06 ; 3.285894e-01 -6.337277e-06 2.445041e-03 2.985414e-03 0.000485 0.000060 True native_MD 7 274 322 +CG1_AB42_31 O_AB42_37 1 0.000000e+00 2.019797e-06 ; 2.987244e-01 -2.019797e-06 8.723439e-04 2.930574e-03 0.000485 0.001191 True native_MD 7 274 323 +CG1_AB42_31 N_AB42_38 1 0.000000e+00 3.672341e-06 ; 3.139836e-01 -3.672341e-06 1.977359e-03 9.729910e-04 0.000485 0.000060 True native_MD 7 274 324 CG1_AB42_31 CA_AB42_38 1 1.105164e-03 2.821080e-06 ; 3.696847e-01 1.082376e-01 6.971730e-03 5.447032e-03 0.000485 0.001190 True native_MD 7 274 326 -CG1_AB42_31 C_AB42_38 1 0.000000e+00 6.318225e-06 ; 3.285070e-01 -6.318225e-06 4.443935e-03 1.959591e-03 0.000485 0.000060 True native_MD 7 274 327 +CG1_AB42_31 C_AB42_38 1 0.000000e+00 6.318119e-06 ; 3.285065e-01 -6.318119e-06 4.443935e-03 1.959591e-03 0.000485 0.000060 True native_MD 7 274 327 CG1_AB42_31 O_AB42_38 1 3.622535e-04 3.057014e-07 ; 3.074073e-01 1.073168e-01 2.670291e-03 2.145183e-03 0.000485 0.001191 True native_MD 7 274 328 -CG1_AB42_31 N_AB42_39 1 0.000000e+00 3.669861e-06 ; 3.139659e-01 -3.669861e-06 2.118929e-03 4.266125e-04 0.000485 0.000060 True native_MD 7 274 329 +CG1_AB42_31 N_AB42_39 1 0.000000e+00 3.669812e-06 ; 3.139655e-01 -3.669812e-06 2.118929e-03 4.266125e-04 0.000485 0.000060 True native_MD 7 274 329 CG1_AB42_31 CA_AB42_39 1 4.879398e-03 4.972241e-05 ; 4.656193e-01 1.197072e-01 6.422313e-03 3.053567e-03 0.000485 0.001021 True native_MD 7 274 331 CG1_AB42_31 CB_AB42_39 1 3.267999e-03 2.432323e-05 ; 4.418653e-01 1.097698e-01 1.056280e-02 6.761595e-03 0.000485 0.001021 True native_MD 7 274 332 CG1_AB42_31 CG1_AB42_39 1 1.498663e-03 4.191636e-06 ; 3.753588e-01 1.339567e-01 8.969415e-03 6.359389e-03 0.000485 0.002332 True native_MD 7 274 333 CG1_AB42_31 CG2_AB42_39 1 1.549894e-03 4.358002e-06 ; 3.756911e-01 1.378023e-01 8.765937e-03 5.539483e-03 0.000485 0.002332 True native_MD 7 274 334 -CG1_AB42_31 C_AB42_39 1 0.000000e+00 6.324813e-06 ; 3.285355e-01 -6.324813e-06 1.712968e-03 2.687505e-04 0.000485 0.000060 True native_MD 7 274 335 +CG1_AB42_31 C_AB42_39 1 0.000000e+00 6.324707e-06 ; 3.285350e-01 -6.324707e-06 1.712968e-03 2.687505e-04 0.000485 0.000060 True native_MD 7 274 335 CG1_AB42_31 O_AB42_39 1 5.479009e-04 6.768163e-07 ; 3.275630e-01 1.108851e-01 1.648999e-03 3.602582e-04 0.000485 0.001191 True native_MD 7 274 336 -CG1_AB42_31 N_AB42_40 1 0.000000e+00 3.673226e-06 ; 3.139899e-01 -3.673226e-06 9.703823e-04 1.935517e-04 0.000485 0.000060 True native_MD 7 274 337 +CG1_AB42_31 N_AB42_40 1 0.000000e+00 3.673178e-06 ; 3.139895e-01 -3.673178e-06 9.703823e-04 1.935517e-04 0.000485 0.000060 True native_MD 7 274 337 CG1_AB42_31 CA_AB42_40 1 3.082207e-03 1.687896e-05 ; 4.198369e-01 1.407078e-01 7.211066e-03 1.828851e-03 0.000485 0.001021 True native_MD 7 274 339 CG1_AB42_31 CB_AB42_40 1 4.166761e-03 3.079897e-05 ; 4.413566e-01 1.409292e-01 1.877455e-02 4.730104e-03 0.000485 0.001021 True native_MD 7 274 340 CG1_AB42_31 CG1_AB42_40 1 1.914883e-03 5.335894e-06 ; 3.751263e-01 1.717978e-01 1.708008e-02 3.902415e-03 0.000485 0.002332 True native_MD 7 274 341 CG1_AB42_31 CG2_AB42_40 1 1.897282e-03 5.231194e-06 ; 3.744652e-01 1.720295e-01 1.798869e-02 4.081605e-03 0.000485 0.002332 True native_MD 7 274 342 -CG1_AB42_31 C_AB42_40 1 0.000000e+00 6.326178e-06 ; 3.285414e-01 -6.326178e-06 1.603509e-03 3.746695e-04 0.000485 0.000060 True native_MD 7 274 343 +CG1_AB42_31 C_AB42_40 1 0.000000e+00 6.326071e-06 ; 3.285409e-01 -6.326071e-06 1.603509e-03 3.746695e-04 0.000485 0.000060 True native_MD 7 274 343 CG1_AB42_31 O_AB42_40 1 8.362482e-04 1.551677e-06 ; 3.505455e-01 1.126702e-01 1.739483e-03 5.470694e-04 0.000485 0.001191 True native_MD 7 274 344 CG1_AB42_31 N_AB42_41 1 2.479971e-04 2.111519e-07 ; 3.078634e-01 7.281788e-02 5.278047e-04 5.022093e-05 0.000485 0.000060 True native_MD 7 274 345 CG1_AB42_31 CA_AB42_41 1 5.386089e-03 4.469512e-05 ; 4.499502e-01 1.622658e-01 9.522546e-03 1.266922e-03 0.000485 0.001021 True native_MD 7 274 347 @@ -48151,175 +48151,175 @@ CG1_AB42_31 CB_AB42_41 1 2.592136e-03 1.072756e-05 ; 4.006888e-01 1.565865 CG1_AB42_31 CG1_AB42_41 1 2.457425e-03 8.801404e-06 ; 3.911518e-01 1.715334e-01 2.184069e-02 2.567155e-03 0.000485 0.001190 True native_MD 7 274 349 CG1_AB42_31 CG2_AB42_41 1 1.828278e-03 4.553311e-06 ; 3.681692e-01 1.835259e-01 1.921202e-02 3.090224e-03 0.000485 0.002332 True native_MD 7 274 350 CG1_AB42_31 CD_AB42_41 1 1.496578e-03 3.139198e-06 ; 3.577831e-01 1.783693e-01 2.445678e-02 4.590226e-03 0.000485 0.002332 True native_MD 7 274 351 -CG1_AB42_31 C_AB42_41 1 0.000000e+00 6.323824e-06 ; 3.285312e-01 -6.323824e-06 1.980051e-03 3.795911e-04 0.000485 0.000060 True native_MD 7 274 352 +CG1_AB42_31 C_AB42_41 1 0.000000e+00 6.323718e-06 ; 3.285308e-01 -6.323718e-06 1.980051e-03 3.795911e-04 0.000485 0.000060 True native_MD 7 274 352 CG1_AB42_31 O_AB42_41 1 6.082592e-04 7.874518e-07 ; 3.301332e-01 1.174609e-01 2.007631e-03 5.823015e-04 0.000485 0.001191 True native_MD 7 274 353 -CG1_AB42_31 N_AB42_42 1 0.000000e+00 3.673057e-06 ; 3.139887e-01 -3.673057e-06 1.023040e-03 2.002521e-04 0.000485 0.000060 True native_MD 7 274 354 +CG1_AB42_31 N_AB42_42 1 0.000000e+00 3.673009e-06 ; 3.139883e-01 -3.673009e-06 1.023040e-03 2.002521e-04 0.000485 0.000060 True native_MD 7 274 354 CG1_AB42_31 CA_AB42_42 1 2.808181e-03 1.666972e-05 ; 4.255173e-01 1.182665e-01 4.861167e-03 2.413131e-03 0.000485 0.001021 True native_MD 7 274 356 CG1_AB42_31 CB_AB42_42 1 1.919945e-03 6.205599e-06 ; 3.845172e-01 1.485026e-01 5.153645e-03 2.364382e-03 0.000485 0.002332 True native_MD 7 274 357 -CG1_AB42_31 C_AB42_42 1 0.000000e+00 6.336382e-06 ; 3.285855e-01 -6.336382e-06 6.892667e-04 1.071561e-03 0.000485 0.000060 True native_MD 7 274 358 -CG1_AB42_31 O1_AB42_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 359 -CG1_AB42_31 O2_AB42_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 360 -CG2_AB42_31 C_AB42_31 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 275 277 +CG1_AB42_31 C_AB42_42 1 0.000000e+00 6.336276e-06 ; 3.285851e-01 -6.336276e-06 6.892667e-04 1.071561e-03 0.000485 0.000060 True native_MD 7 274 358 +CG1_AB42_31 O1_AB42_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 359 +CG1_AB42_31 O2_AB42_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 360 +CG2_AB42_31 C_AB42_31 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 275 277 CG2_AB42_31 O_AB42_31 1 0.000000e+00 1.377588e-06 ; 2.893488e-01 -1.377588e-06 9.787660e-01 8.947207e-01 0.000485 0.000060 True native_MD 4 275 278 -CG2_AB42_31 N_AB42_32 1 0.000000e+00 2.708703e-06 ; 3.061201e-01 -2.708703e-06 9.838173e-01 9.713405e-01 0.000485 0.000060 True native_MD 4 275 279 -CG2_AB42_31 CA_AB42_32 1 0.000000e+00 2.360898e-05 ; 3.666498e-01 -2.360898e-05 7.724909e-01 7.670596e-01 0.000485 0.000060 True native_MD 5 275 281 -CG2_AB42_31 CB_AB42_32 1 0.000000e+00 2.003723e-05 ; 3.616719e-01 -2.003723e-05 5.048429e-01 3.489454e-01 0.000485 0.000060 True native_MD 6 275 282 +CG2_AB42_31 N_AB42_32 1 0.000000e+00 2.708678e-06 ; 3.061198e-01 -2.708678e-06 9.838173e-01 9.713405e-01 0.000485 0.000060 True native_MD 4 275 279 +CG2_AB42_31 CA_AB42_32 1 0.000000e+00 2.360897e-05 ; 3.666498e-01 -2.360897e-05 7.724909e-01 7.670596e-01 0.000485 0.000060 True native_MD 5 275 281 +CG2_AB42_31 CB_AB42_32 1 0.000000e+00 2.003722e-05 ; 3.616719e-01 -2.003722e-05 5.048429e-01 3.489454e-01 0.000485 0.000060 True native_MD 6 275 282 CG2_AB42_31 CG1_AB42_32 1 1.580579e-03 4.657870e-06 ; 3.786418e-01 1.340866e-01 2.298518e-01 1.623346e-01 0.000485 0.002332 True native_MD 7 275 283 CG2_AB42_31 CG2_AB42_32 1 2.007188e-03 5.785489e-06 ; 3.772466e-01 1.740908e-01 1.525034e-01 7.414255e-02 0.000485 0.005315 True native_MD 7 275 284 CG2_AB42_31 CD_AB42_32 1 1.664185e-03 3.739856e-06 ; 3.619169e-01 1.851349e-01 1.410281e-01 4.926717e-02 0.000485 0.005315 True native_MD 7 275 285 -CG2_AB42_31 C_AB42_32 1 0.000000e+00 5.300029e-06 ; 3.237314e-01 -5.300029e-06 1.736588e-01 2.950932e-01 0.000485 0.000060 True native_MD 6 275 286 +CG2_AB42_31 C_AB42_32 1 0.000000e+00 5.299959e-06 ; 3.237311e-01 -5.299959e-06 1.736588e-01 2.950932e-01 0.000485 0.000060 True native_MD 6 275 286 CG2_AB42_31 O_AB42_32 1 3.704138e-04 4.107190e-07 ; 3.217187e-01 8.351598e-02 1.002255e-01 1.641404e-01 0.000485 0.001191 True native_MD 7 275 287 -CG2_AB42_31 N_AB42_33 1 0.000000e+00 2.924709e-06 ; 3.080836e-01 -2.924709e-06 7.081128e-02 1.370846e-01 0.000485 0.000060 True native_MD 7 275 288 +CG2_AB42_31 N_AB42_33 1 0.000000e+00 2.924681e-06 ; 3.080833e-01 -2.924681e-06 7.081128e-02 1.370846e-01 0.000485 0.000060 True native_MD 7 275 288 CG2_AB42_31 CA_AB42_33 1 1.587041e-03 6.230729e-06 ; 3.971840e-01 1.010596e-01 7.383246e-02 1.401042e-01 0.000485 0.002332 True native_MD 7 275 290 -CG2_AB42_31 C_AB42_33 1 0.000000e+00 4.767303e-06 ; 3.208862e-01 -4.767303e-06 4.643061e-02 5.514549e-02 0.000485 0.000060 True native_MD 7 275 291 +CG2_AB42_31 C_AB42_33 1 0.000000e+00 4.767241e-06 ; 3.208859e-01 -4.767241e-06 4.643061e-02 5.514549e-02 0.000485 0.000060 True native_MD 7 275 291 CG2_AB42_31 O_AB42_33 1 3.035682e-04 2.515357e-07 ; 3.064718e-01 9.159102e-02 2.168940e-02 2.789563e-02 0.000485 0.001191 True native_MD 7 275 292 -CG2_AB42_31 N_AB42_34 1 0.000000e+00 2.716544e-06 ; 3.061938e-01 -2.716544e-06 4.913092e-02 3.951262e-02 0.000485 0.000060 True native_MD 7 275 293 +CG2_AB42_31 N_AB42_34 1 0.000000e+00 2.716518e-06 ; 3.061936e-01 -2.716518e-06 4.913092e-02 3.951262e-02 0.000485 0.000060 True native_MD 7 275 293 CG2_AB42_31 CA_AB42_34 1 3.091719e-03 1.926118e-05 ; 4.289570e-01 1.240673e-01 8.782227e-02 6.936995e-02 0.000485 0.001932 True native_MD 7 275 295 CG2_AB42_31 CB_AB42_34 1 1.381382e-03 3.126489e-06 ; 3.623463e-01 1.525846e-01 1.654126e-01 6.716138e-02 0.000485 0.002332 True native_MD 7 275 296 CG2_AB42_31 CG_AB42_34 1 1.865613e-03 6.172619e-06 ; 3.860184e-01 1.409657e-01 2.066039e-01 9.841968e-02 0.000485 0.001932 True native_MD 7 275 297 CG2_AB42_31 CD1_AB42_34 1 1.841321e-03 4.765703e-06 ; 3.705381e-01 1.778574e-01 1.668064e-01 7.245158e-02 0.000485 0.005315 True native_MD 7 275 298 CG2_AB42_31 CD2_AB42_34 1 1.773926e-03 4.593459e-06 ; 3.705675e-01 1.712661e-01 8.137639e-02 4.305257e-02 0.000485 0.005315 True native_MD 7 275 299 -CG2_AB42_31 C_AB42_34 1 0.000000e+00 4.764391e-06 ; 3.208699e-01 -4.764391e-06 9.407323e-03 1.750598e-02 0.000485 0.000060 True native_MD 7 275 300 +CG2_AB42_31 C_AB42_34 1 0.000000e+00 4.764329e-06 ; 3.208695e-01 -4.764329e-06 9.407323e-03 1.750598e-02 0.000485 0.000060 True native_MD 7 275 300 CG2_AB42_31 O_AB42_34 1 0.000000e+00 1.524356e-06 ; 2.918002e-01 -1.524356e-06 5.203703e-03 1.874386e-02 0.000485 0.001191 True native_MD 7 275 301 -CG2_AB42_31 N_AB42_35 1 0.000000e+00 2.733342e-06 ; 3.063511e-01 -2.733342e-06 1.194395e-02 8.449995e-03 0.000485 0.000060 True native_MD 7 275 302 +CG2_AB42_31 N_AB42_35 1 0.000000e+00 2.733317e-06 ; 3.063509e-01 -2.733317e-06 1.194395e-02 8.449995e-03 0.000485 0.000060 True native_MD 7 275 302 CG2_AB42_31 CA_AB42_35 1 2.256980e-03 1.016612e-05 ; 4.063852e-01 1.252680e-01 3.441544e-02 2.622494e-02 0.000485 0.001932 True native_MD 7 275 304 CG2_AB42_31 CB_AB42_35 1 1.813546e-03 5.444009e-06 ; 3.798088e-01 1.510352e-01 5.415424e-02 2.303139e-02 0.000485 0.002332 True native_MD 7 275 305 CG2_AB42_31 CG_AB42_35 1 1.864487e-03 5.107182e-06 ; 3.740563e-01 1.701679e-01 1.087853e-01 2.609735e-02 0.000485 0.002332 True native_MD 7 275 306 -CG2_AB42_31 SD_AB42_35 1 0.000000e+00 4.569387e-06 ; 3.197544e-01 -4.569387e-06 7.371449e-02 1.802156e-02 0.000485 0.000060 True native_MD 7 275 307 +CG2_AB42_31 SD_AB42_35 1 0.000000e+00 4.569396e-06 ; 3.197544e-01 -4.569396e-06 7.371449e-02 1.802156e-02 0.000485 0.000060 True native_MD 7 275 307 CG2_AB42_31 CE_AB42_35 1 1.563119e-03 2.976089e-06 ; 3.520538e-01 2.052475e-01 1.364547e-01 2.611221e-02 0.000485 0.005315 True native_MD 7 275 308 -CG2_AB42_31 C_AB42_35 1 0.000000e+00 4.749521e-06 ; 3.207863e-01 -4.749521e-06 2.464740e-03 7.417062e-03 0.000485 0.000060 True native_MD 7 275 309 +CG2_AB42_31 C_AB42_35 1 0.000000e+00 4.749459e-06 ; 3.207860e-01 -4.749459e-06 2.464740e-03 7.417062e-03 0.000485 0.000060 True native_MD 7 275 309 CG2_AB42_31 O_AB42_35 1 0.000000e+00 1.514196e-06 ; 2.916376e-01 -1.514196e-06 1.885714e-03 8.670697e-03 0.000485 0.001191 True native_MD 7 275 310 -CG2_AB42_31 N_AB42_36 1 0.000000e+00 2.748623e-06 ; 3.064935e-01 -2.748623e-06 1.314224e-03 3.391066e-03 0.000485 0.000060 True native_MD 7 275 311 +CG2_AB42_31 N_AB42_36 1 0.000000e+00 2.748597e-06 ; 3.064933e-01 -2.748597e-06 1.314224e-03 3.391066e-03 0.000485 0.000060 True native_MD 7 275 311 CG2_AB42_31 CA_AB42_36 1 2.754696e-03 1.971530e-05 ; 4.389903e-01 9.622410e-02 7.869358e-03 1.430126e-02 0.000485 0.001932 True native_MD 7 275 313 CG2_AB42_31 CB_AB42_36 1 1.579807e-03 5.959557e-06 ; 3.945496e-01 1.046970e-01 1.402294e-02 1.977675e-02 0.000485 0.001932 True native_MD 7 275 314 CG2_AB42_31 CG1_AB42_36 1 8.874433e-04 1.483433e-06 ; 3.444990e-01 1.327251e-01 9.213430e-03 1.544634e-02 0.000485 0.005315 True native_MD 7 275 315 CG2_AB42_31 CG2_AB42_36 1 1.080929e-03 2.036963e-06 ; 3.514506e-01 1.434006e-01 1.380513e-02 1.681507e-02 0.000485 0.005315 True native_MD 7 275 316 -CG2_AB42_31 C_AB42_36 1 0.000000e+00 4.733592e-06 ; 3.206965e-01 -4.733592e-06 2.561791e-03 4.143725e-03 0.000485 0.000060 True native_MD 7 275 317 +CG2_AB42_31 C_AB42_36 1 0.000000e+00 4.733530e-06 ; 3.206962e-01 -4.733530e-06 2.561791e-03 4.143725e-03 0.000485 0.000060 True native_MD 7 275 317 CG2_AB42_31 O_AB42_36 1 3.240581e-04 3.724644e-07 ; 3.236510e-01 7.048567e-02 1.898515e-03 4.591999e-03 0.000485 0.001191 True native_MD 7 275 318 -CG2_AB42_31 N_AB42_37 1 0.000000e+00 2.743259e-06 ; 3.064436e-01 -2.743259e-06 2.549741e-03 2.671140e-03 0.000485 0.000060 True native_MD 7 275 319 +CG2_AB42_31 N_AB42_37 1 0.000000e+00 2.743233e-06 ; 3.064434e-01 -2.743233e-06 2.549741e-03 2.671140e-03 0.000485 0.000060 True native_MD 7 275 319 CG2_AB42_31 CA_AB42_37 1 7.139917e-04 1.341378e-06 ; 3.512716e-01 9.501129e-02 4.320903e-03 9.826211e-03 0.000485 0.002332 True native_MD 7 275 321 -CG2_AB42_31 C_AB42_37 1 0.000000e+00 4.739430e-06 ; 3.207295e-01 -4.739430e-06 2.110508e-03 4.927647e-03 0.000485 0.000060 True native_MD 7 275 322 -CG2_AB42_31 O_AB42_37 1 0.000000e+00 1.507604e-06 ; 2.915316e-01 -1.507604e-06 1.292854e-03 3.695013e-03 0.000485 0.001191 True native_MD 7 275 323 -CG2_AB42_31 N_AB42_38 1 0.000000e+00 2.747402e-06 ; 3.064822e-01 -2.747402e-06 1.464349e-03 3.096253e-03 0.000485 0.000060 True native_MD 7 275 324 +CG2_AB42_31 C_AB42_37 1 0.000000e+00 4.739368e-06 ; 3.207291e-01 -4.739368e-06 2.110508e-03 4.927647e-03 0.000485 0.000060 True native_MD 7 275 322 +CG2_AB42_31 O_AB42_37 1 0.000000e+00 1.507605e-06 ; 2.915316e-01 -1.507605e-06 1.292854e-03 3.695013e-03 0.000485 0.001191 True native_MD 7 275 323 +CG2_AB42_31 N_AB42_38 1 0.000000e+00 2.747376e-06 ; 3.064819e-01 -2.747376e-06 1.464349e-03 3.096253e-03 0.000485 0.000060 True native_MD 7 275 324 CG2_AB42_31 CA_AB42_38 1 1.011828e-03 2.153112e-06 ; 3.586411e-01 1.188738e-01 7.331486e-03 8.163379e-03 0.000485 0.002332 True native_MD 7 275 326 -CG2_AB42_31 C_AB42_38 1 0.000000e+00 4.720849e-06 ; 3.206245e-01 -4.720849e-06 5.112597e-03 3.998306e-03 0.000485 0.000060 True native_MD 7 275 327 +CG2_AB42_31 C_AB42_38 1 0.000000e+00 4.720788e-06 ; 3.206241e-01 -4.720788e-06 5.112597e-03 3.998306e-03 0.000485 0.000060 True native_MD 7 275 327 CG2_AB42_31 O_AB42_38 1 3.719616e-04 3.356472e-07 ; 3.108595e-01 1.030512e-01 3.311216e-03 3.022258e-03 0.000485 0.001191 True native_MD 7 275 328 -CG2_AB42_31 N_AB42_39 1 0.000000e+00 2.737771e-06 ; 3.063925e-01 -2.737771e-06 2.976655e-03 1.097078e-03 0.000485 0.000060 True native_MD 7 275 329 +CG2_AB42_31 N_AB42_39 1 0.000000e+00 2.737745e-06 ; 3.063922e-01 -2.737745e-06 2.976655e-03 1.097078e-03 0.000485 0.000060 True native_MD 7 275 329 CG2_AB42_31 CA_AB42_39 1 2.154360e-03 8.810139e-06 ; 3.998933e-01 1.317024e-01 8.017476e-03 5.039326e-03 0.000485 0.001932 True native_MD 7 275 331 CG2_AB42_31 CB_AB42_39 1 1.828415e-03 6.842066e-06 ; 3.940204e-01 1.221524e-01 1.036857e-02 8.673051e-03 0.000485 0.001932 True native_MD 7 275 332 CG2_AB42_31 CG1_AB42_39 1 1.066860e-03 1.907646e-06 ; 3.483895e-01 1.491616e-01 7.537578e-03 7.727102e-03 0.000485 0.005315 True native_MD 7 275 333 CG2_AB42_31 CG2_AB42_39 1 1.082040e-03 1.894241e-06 ; 3.471618e-01 1.545224e-01 7.979130e-03 6.967360e-03 0.000485 0.005315 True native_MD 7 275 334 -CG2_AB42_31 C_AB42_39 1 0.000000e+00 4.716600e-06 ; 3.206004e-01 -4.716600e-06 2.806203e-03 7.927921e-04 0.000485 0.000060 True native_MD 7 275 335 +CG2_AB42_31 C_AB42_39 1 0.000000e+00 4.716538e-06 ; 3.206001e-01 -4.716538e-06 2.806203e-03 7.927921e-04 0.000485 0.000060 True native_MD 7 275 335 CG2_AB42_31 O_AB42_39 1 5.478295e-04 5.827379e-07 ; 3.195003e-01 1.287530e-01 2.814776e-03 8.337751e-04 0.000485 0.001191 True native_MD 7 275 336 -CG2_AB42_31 N_AB42_40 1 0.000000e+00 2.740764e-06 ; 3.064204e-01 -2.740764e-06 1.255312e-03 4.669981e-04 0.000485 0.000060 True native_MD 7 275 337 +CG2_AB42_31 N_AB42_40 1 0.000000e+00 2.740738e-06 ; 3.064201e-01 -2.740738e-06 1.255312e-03 4.669981e-04 0.000485 0.000060 True native_MD 7 275 337 CG2_AB42_31 CA_AB42_40 1 3.014567e-03 1.618149e-05 ; 4.184391e-01 1.404014e-01 6.375971e-03 3.089042e-03 0.000485 0.001932 True native_MD 7 275 339 CG2_AB42_31 CB_AB42_40 1 3.121003e-03 1.673442e-05 ; 4.183625e-01 1.455184e-01 1.387718e-02 5.768656e-03 0.000485 0.001932 True native_MD 7 275 340 CG2_AB42_31 CG1_AB42_40 1 1.586385e-03 3.475098e-06 ; 3.603792e-01 1.810465e-01 1.346123e-02 4.176133e-03 0.000485 0.005315 True native_MD 7 275 341 CG2_AB42_31 CG2_AB42_40 1 1.182755e-03 1.944230e-06 ; 3.435386e-01 1.798795e-01 1.299924e-02 4.655378e-03 0.000485 0.005315 True native_MD 7 275 342 -CG2_AB42_31 C_AB42_40 1 0.000000e+00 4.723079e-06 ; 3.206371e-01 -4.723079e-06 1.472225e-03 8.297263e-04 0.000485 0.000060 True native_MD 7 275 343 +CG2_AB42_31 C_AB42_40 1 0.000000e+00 4.723017e-06 ; 3.206367e-01 -4.723017e-06 1.472225e-03 8.297263e-04 0.000485 0.000060 True native_MD 7 275 343 CG2_AB42_31 O_AB42_40 1 3.307331e-04 2.964684e-07 ; 3.105156e-01 9.223952e-02 9.438212e-04 1.004810e-03 0.000485 0.001191 True native_MD 7 275 344 -CG2_AB42_31 N_AB42_41 1 0.000000e+00 2.741113e-06 ; 3.064236e-01 -2.741113e-06 1.156286e-03 4.954146e-04 0.000485 0.000060 True native_MD 7 275 345 +CG2_AB42_31 N_AB42_41 1 0.000000e+00 2.741088e-06 ; 3.064234e-01 -2.741088e-06 1.156286e-03 4.954146e-04 0.000485 0.000060 True native_MD 7 275 345 CG2_AB42_31 CA_AB42_41 1 3.220173e-03 1.742137e-05 ; 4.189870e-01 1.488044e-01 6.956610e-03 2.620979e-03 0.000485 0.001932 True native_MD 7 275 347 CG2_AB42_31 CB_AB42_41 1 2.678568e-03 1.100036e-05 ; 4.001757e-01 1.630567e-01 1.986376e-02 4.885349e-03 0.000485 0.001932 True native_MD 7 275 348 CG2_AB42_31 CG1_AB42_41 1 2.184173e-03 6.895194e-06 ; 3.830098e-01 1.729687e-01 1.803438e-02 3.978567e-03 0.000485 0.002332 True native_MD 7 275 349 CG2_AB42_31 CG2_AB42_41 1 1.432297e-03 2.705759e-06 ; 3.515950e-01 1.895472e-01 1.736061e-02 3.852048e-03 0.000485 0.005315 True native_MD 7 275 350 CG2_AB42_31 CD_AB42_41 1 1.242269e-03 2.033591e-06 ; 3.433007e-01 1.897175e-01 1.864624e-02 5.679165e-03 0.000485 0.005315 True native_MD 7 275 351 -CG2_AB42_31 C_AB42_41 1 0.000000e+00 4.720892e-06 ; 3.206247e-01 -4.720892e-06 2.047065e-03 9.417095e-04 0.000485 0.000060 True native_MD 7 275 352 +CG2_AB42_31 C_AB42_41 1 0.000000e+00 4.720830e-06 ; 3.206244e-01 -4.720830e-06 2.047065e-03 9.417095e-04 0.000485 0.000060 True native_MD 7 275 352 CG2_AB42_31 O_AB42_41 1 5.873472e-04 7.007218e-07 ; 3.256680e-01 1.230791e-01 2.375204e-03 9.931113e-04 0.000485 0.001191 True native_MD 7 275 353 -CG2_AB42_31 N_AB42_42 1 0.000000e+00 2.740472e-06 ; 3.064177e-01 -2.740472e-06 1.309950e-03 4.153925e-04 0.000485 0.000060 True native_MD 7 275 354 +CG2_AB42_31 N_AB42_42 1 0.000000e+00 2.740447e-06 ; 3.064174e-01 -2.740447e-06 1.309950e-03 4.153925e-04 0.000485 0.000060 True native_MD 7 275 354 CG2_AB42_31 CA_AB42_42 1 1.091285e-03 2.345132e-06 ; 3.592291e-01 1.269549e-01 4.231371e-03 3.065618e-03 0.000485 0.001932 True native_MD 7 275 356 CG2_AB42_31 CB_AB42_42 1 9.153028e-04 1.457890e-06 ; 3.417381e-01 1.436629e-01 4.397671e-03 3.110590e-03 0.000485 0.005315 True native_MD 7 275 357 -CG2_AB42_31 C_AB42_42 1 0.000000e+00 4.728489e-06 ; 3.206677e-01 -4.728489e-06 9.672962e-04 1.469509e-03 0.000485 0.000060 True native_MD 7 275 358 +CG2_AB42_31 C_AB42_42 1 0.000000e+00 4.728427e-06 ; 3.206673e-01 -4.728427e-06 9.672962e-04 1.469509e-03 0.000485 0.000060 True native_MD 7 275 358 CG2_AB42_31 O1_AB42_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 275 359 CG2_AB42_31 O2_AB42_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 275 360 - CD_AB42_31 C_AB42_31 1 0.000000e+00 4.564517e-06 ; 3.197260e-01 -4.564517e-06 9.754963e-01 9.413036e-01 0.000485 0.000060 True native_MD 4 276 277 - CD_AB42_31 O_AB42_31 1 0.000000e+00 1.254317e-06 ; 2.870972e-01 -1.254317e-06 3.812828e-01 2.152751e-01 0.000485 0.000060 True native_MD 5 276 278 - CD_AB42_31 N_AB42_32 1 0.000000e+00 2.694741e-06 ; 3.059883e-01 -2.694741e-06 2.524941e-01 2.349270e-01 0.000485 0.000060 True native_MD 5 276 279 - CD_AB42_31 CA_AB42_32 1 0.000000e+00 2.241765e-05 ; 3.650711e-01 -2.241765e-05 2.258795e-01 1.702613e-01 0.000485 0.000060 True native_MD 6 276 281 + CD_AB42_31 C_AB42_31 1 0.000000e+00 4.564457e-06 ; 3.197256e-01 -4.564457e-06 9.754963e-01 9.413036e-01 0.000485 0.000060 True native_MD 4 276 277 + CD_AB42_31 O_AB42_31 1 0.000000e+00 1.254318e-06 ; 2.870972e-01 -1.254318e-06 3.812828e-01 2.152751e-01 0.000485 0.000060 True native_MD 5 276 278 + CD_AB42_31 N_AB42_32 1 0.000000e+00 2.694715e-06 ; 3.059880e-01 -2.694715e-06 2.524941e-01 2.349270e-01 0.000485 0.000060 True native_MD 5 276 279 + CD_AB42_31 CA_AB42_32 1 0.000000e+00 2.241764e-05 ; 3.650711e-01 -2.241764e-05 2.258795e-01 1.702613e-01 0.000485 0.000060 True native_MD 6 276 281 CD_AB42_31 CB_AB42_32 1 4.203337e-03 3.480624e-05 ; 4.497907e-01 1.269029e-01 7.900641e-02 5.732919e-02 0.000485 0.001932 True native_MD 7 276 282 CD_AB42_31 CG1_AB42_32 1 1.894563e-03 7.203265e-06 ; 3.950664e-01 1.245744e-01 6.513382e-02 6.115002e-02 0.000485 0.002332 True native_MD 7 276 283 CD_AB42_31 CG2_AB42_32 1 2.288871e-03 7.556783e-06 ; 3.858803e-01 1.733188e-01 5.605766e-02 2.789057e-02 0.000485 0.005315 True native_MD 7 276 284 CD_AB42_31 CD_AB42_32 1 1.995744e-03 5.652490e-06 ; 3.761455e-01 1.761611e-01 4.538197e-02 2.073791e-02 0.000485 0.005315 True native_MD 7 276 285 - CD_AB42_31 C_AB42_32 1 0.000000e+00 4.712472e-06 ; 3.205770e-01 -4.712472e-06 3.204105e-02 2.915427e-02 0.000485 0.000060 True native_MD 7 276 286 + CD_AB42_31 C_AB42_32 1 0.000000e+00 4.712411e-06 ; 3.205767e-01 -4.712411e-06 3.204105e-02 2.915427e-02 0.000485 0.000060 True native_MD 7 276 286 CD_AB42_31 O_AB42_32 1 5.162050e-04 6.889141e-07 ; 3.318108e-01 9.669841e-02 3.792068e-02 4.185870e-02 0.000485 0.001191 True native_MD 7 276 287 - CD_AB42_31 N_AB42_33 1 0.000000e+00 2.799689e-06 ; 3.069640e-01 -2.799689e-06 1.760466e-02 3.829889e-02 0.000485 0.000060 True native_MD 7 276 288 + CD_AB42_31 N_AB42_33 1 0.000000e+00 2.799662e-06 ; 3.069638e-01 -2.799662e-06 1.760466e-02 3.829889e-02 0.000485 0.000060 True native_MD 7 276 288 CD_AB42_31 CA_AB42_33 1 1.247548e-03 4.085385e-06 ; 3.853565e-01 9.524041e-02 2.571619e-02 5.808185e-02 0.000485 0.002332 True native_MD 7 276 290 - CD_AB42_31 C_AB42_33 1 0.000000e+00 4.748808e-06 ; 3.207823e-01 -4.748808e-06 1.495824e-02 1.975962e-02 0.000485 0.000060 True native_MD 7 276 291 + CD_AB42_31 C_AB42_33 1 0.000000e+00 4.748745e-06 ; 3.207819e-01 -4.748745e-06 1.495824e-02 1.975962e-02 0.000485 0.000060 True native_MD 7 276 291 CD_AB42_31 O_AB42_33 1 2.558330e-04 2.050862e-07 ; 3.047871e-01 7.978417e-02 8.308242e-03 1.521414e-02 0.000485 0.001191 True native_MD 7 276 292 - CD_AB42_31 N_AB42_34 1 0.000000e+00 2.734882e-06 ; 3.063655e-01 -2.734882e-06 1.407012e-02 1.113744e-02 0.000485 0.000060 True native_MD 7 276 293 + CD_AB42_31 N_AB42_34 1 0.000000e+00 2.734856e-06 ; 3.063653e-01 -2.734856e-06 1.407012e-02 1.113744e-02 0.000485 0.000060 True native_MD 7 276 293 CD_AB42_31 CA_AB42_34 1 4.761774e-03 4.039896e-05 ; 4.516135e-01 1.403161e-01 7.114122e-02 3.455476e-02 0.000485 0.001932 True native_MD 7 276 295 CD_AB42_31 CB_AB42_34 1 2.395934e-03 8.539392e-06 ; 3.908337e-01 1.680594e-01 1.413174e-01 3.610980e-02 0.000485 0.002332 True native_MD 7 276 296 CD_AB42_31 CG_AB42_34 1 3.401214e-03 1.893442e-05 ; 4.209880e-01 1.527411e-01 1.966445e-01 6.585432e-02 0.000485 0.001932 True native_MD 7 276 297 CD_AB42_31 CD1_AB42_34 1 1.563974e-03 3.349885e-06 ; 3.590322e-01 1.825447e-01 1.441009e-01 5.439791e-02 0.000485 0.005315 True native_MD 7 276 298 CD_AB42_31 CD2_AB42_34 1 1.390637e-03 2.658808e-06 ; 3.522997e-01 1.818362e-01 1.011223e-01 3.899162e-02 0.000485 0.005315 True native_MD 7 276 299 - CD_AB42_31 C_AB42_34 1 0.000000e+00 4.738157e-06 ; 3.207223e-01 -4.738157e-06 1.000157e-02 1.254940e-02 0.000485 0.000060 True native_MD 7 276 300 + CD_AB42_31 C_AB42_34 1 0.000000e+00 4.738095e-06 ; 3.207219e-01 -4.738095e-06 1.000157e-02 1.254940e-02 0.000485 0.000060 True native_MD 7 276 300 CD_AB42_31 O_AB42_34 1 3.231827e-04 3.711149e-07 ; 3.236011e-01 7.036032e-02 5.528514e-03 1.342225e-02 0.000485 0.001191 True native_MD 7 276 301 - CD_AB42_31 N_AB42_35 1 0.000000e+00 2.728680e-06 ; 3.063076e-01 -2.728680e-06 1.121575e-02 6.021856e-03 0.000485 0.000060 True native_MD 7 276 302 + CD_AB42_31 N_AB42_35 1 0.000000e+00 2.728654e-06 ; 3.063073e-01 -2.728654e-06 1.121575e-02 6.021856e-03 0.000485 0.000060 True native_MD 7 276 302 CD_AB42_31 CA_AB42_35 1 2.335530e-03 1.052921e-05 ; 4.064449e-01 1.295136e-01 3.540948e-02 2.376307e-02 0.000485 0.001932 True native_MD 7 276 304 CD_AB42_31 CB_AB42_35 1 1.874709e-03 5.667968e-06 ; 3.802614e-01 1.550174e-01 5.145632e-02 1.942546e-02 0.000485 0.002332 True native_MD 7 276 305 CD_AB42_31 CG_AB42_35 1 1.793714e-03 4.825859e-06 ; 3.729382e-01 1.666755e-01 9.300225e-02 2.476901e-02 0.000485 0.002332 True native_MD 7 276 306 - CD_AB42_31 SD_AB42_35 1 0.000000e+00 4.597796e-06 ; 3.199196e-01 -4.597796e-06 6.802987e-02 1.820804e-02 0.000485 0.000060 True native_MD 7 276 307 + CD_AB42_31 SD_AB42_35 1 0.000000e+00 4.597806e-06 ; 3.199196e-01 -4.597806e-06 6.802987e-02 1.820804e-02 0.000485 0.000060 True native_MD 7 276 307 CD_AB42_31 CE_AB42_35 1 1.520106e-03 2.848881e-06 ; 3.511290e-01 2.027746e-01 1.217115e-01 2.507990e-02 0.000485 0.005315 True native_MD 7 276 308 - CD_AB42_31 C_AB42_35 1 0.000000e+00 4.748756e-06 ; 3.207820e-01 -4.748756e-06 2.705415e-03 7.495897e-03 0.000485 0.000060 True native_MD 7 276 309 + CD_AB42_31 C_AB42_35 1 0.000000e+00 4.748694e-06 ; 3.207816e-01 -4.748694e-06 2.705415e-03 7.495897e-03 0.000485 0.000060 True native_MD 7 276 309 CD_AB42_31 O_AB42_35 1 0.000000e+00 1.514577e-06 ; 2.916437e-01 -1.514577e-06 1.316576e-03 8.354451e-03 0.000485 0.001191 True native_MD 7 276 310 - CD_AB42_31 N_AB42_36 1 0.000000e+00 2.747795e-06 ; 3.064858e-01 -2.747795e-06 1.984775e-03 3.759922e-03 0.000485 0.000060 True native_MD 7 276 311 + CD_AB42_31 N_AB42_36 1 0.000000e+00 2.747769e-06 ; 3.064856e-01 -2.747769e-06 1.984775e-03 3.759922e-03 0.000485 0.000060 True native_MD 7 276 311 CD_AB42_31 CA_AB42_36 1 2.319689e-03 1.517083e-05 ; 4.324440e-01 8.867281e-02 6.936501e-03 1.580218e-02 0.000485 0.001932 True native_MD 7 276 313 CD_AB42_31 CB_AB42_36 1 1.714684e-03 6.997125e-06 ; 3.997507e-01 1.050482e-01 1.486956e-02 2.075147e-02 0.000485 0.001932 True native_MD 7 276 314 CD_AB42_31 CG1_AB42_36 1 9.910207e-04 1.799043e-06 ; 3.492688e-01 1.364784e-01 1.083643e-02 1.623720e-02 0.000485 0.005315 True native_MD 7 276 315 CD_AB42_31 CG2_AB42_36 1 1.007239e-03 1.743136e-06 ; 3.464972e-01 1.455037e-01 1.394513e-02 1.594956e-02 0.000485 0.005315 True native_MD 7 276 316 - CD_AB42_31 C_AB42_36 1 0.000000e+00 4.734555e-06 ; 3.207020e-01 -4.734555e-06 2.932883e-03 4.718650e-03 0.000485 0.000060 True native_MD 7 276 317 + CD_AB42_31 C_AB42_36 1 0.000000e+00 4.734494e-06 ; 3.207016e-01 -4.734494e-06 2.932883e-03 4.718650e-03 0.000485 0.000060 True native_MD 7 276 317 CD_AB42_31 O_AB42_36 1 3.268376e-04 3.208744e-07 ; 3.152588e-01 8.322791e-02 2.432010e-03 4.017413e-03 0.000485 0.001191 True native_MD 7 276 318 - CD_AB42_31 N_AB42_37 1 0.000000e+00 2.748139e-06 ; 3.064890e-01 -2.748139e-06 2.284621e-03 4.184935e-03 0.000485 0.000060 True native_MD 7 276 319 + CD_AB42_31 N_AB42_37 1 0.000000e+00 2.748113e-06 ; 3.064888e-01 -2.748113e-06 2.284621e-03 4.184935e-03 0.000485 0.000060 True native_MD 7 276 319 CD_AB42_31 CA_AB42_37 1 1.052541e-03 2.878577e-06 ; 3.739583e-01 9.621433e-02 4.532853e-03 9.943693e-03 0.000485 0.002332 True native_MD 7 276 321 - CD_AB42_31 C_AB42_37 1 0.000000e+00 4.738466e-06 ; 3.207240e-01 -4.738466e-06 2.810317e-03 5.423605e-03 0.000485 0.000060 True native_MD 7 276 322 + CD_AB42_31 C_AB42_37 1 0.000000e+00 4.738404e-06 ; 3.207237e-01 -4.738404e-06 2.810317e-03 5.423605e-03 0.000485 0.000060 True native_MD 7 276 322 CD_AB42_31 O_AB42_37 1 3.568128e-04 4.512193e-07 ; 3.288450e-01 7.053964e-02 1.799219e-03 4.344806e-03 0.000485 0.001191 True native_MD 7 276 323 - CD_AB42_31 N_AB42_38 1 0.000000e+00 2.745008e-06 ; 3.064599e-01 -2.745008e-06 2.198006e-03 2.956954e-03 0.000485 0.000060 True native_MD 7 276 324 + CD_AB42_31 N_AB42_38 1 0.000000e+00 2.744982e-06 ; 3.064596e-01 -2.744982e-06 2.198006e-03 2.956954e-03 0.000485 0.000060 True native_MD 7 276 324 CD_AB42_31 CA_AB42_38 1 1.168705e-03 3.006256e-06 ; 3.701577e-01 1.135858e-01 6.182719e-03 8.064624e-03 0.000485 0.002332 True native_MD 7 276 326 - CD_AB42_31 C_AB42_38 1 0.000000e+00 4.726179e-06 ; 3.206546e-01 -4.726179e-06 4.322804e-03 4.336185e-03 0.000485 0.000060 True native_MD 7 276 327 + CD_AB42_31 C_AB42_38 1 0.000000e+00 4.726117e-06 ; 3.206543e-01 -4.726117e-06 4.322804e-03 4.336185e-03 0.000485 0.000060 True native_MD 7 276 327 CD_AB42_31 O_AB42_38 1 3.430704e-04 3.137521e-07 ; 3.115544e-01 9.378209e-02 3.099907e-03 3.733883e-03 0.000485 0.001191 True native_MD 7 276 328 - CD_AB42_31 N_AB42_39 1 0.000000e+00 2.740998e-06 ; 3.064226e-01 -2.740998e-06 2.206339e-03 1.503433e-03 0.000485 0.000060 True native_MD 7 276 329 + CD_AB42_31 N_AB42_39 1 0.000000e+00 2.740972e-06 ; 3.064223e-01 -2.740972e-06 2.206339e-03 1.503433e-03 0.000485 0.000060 True native_MD 7 276 329 CD_AB42_31 CA_AB42_39 1 3.315414e-03 2.198101e-05 ; 4.334294e-01 1.250167e-01 6.934259e-03 5.323874e-03 0.000485 0.001932 True native_MD 7 276 331 CD_AB42_31 CB_AB42_39 1 1.950832e-03 7.662993e-06 ; 3.972188e-01 1.241599e-01 1.157173e-02 9.115103e-03 0.000485 0.001932 True native_MD 7 276 332 CD_AB42_31 CG1_AB42_39 1 1.015421e-03 1.651865e-06 ; 3.429426e-01 1.560480e-01 9.590164e-03 8.000394e-03 0.000485 0.005315 True native_MD 7 276 333 CD_AB42_31 CG2_AB42_39 1 1.026848e-03 1.713212e-06 ; 3.443903e-01 1.538654e-01 8.432123e-03 7.509117e-03 0.000485 0.005315 True native_MD 7 276 334 - CD_AB42_31 C_AB42_39 1 0.000000e+00 4.723052e-06 ; 3.206369e-01 -4.723052e-06 1.956139e-03 1.307993e-03 0.000485 0.000060 True native_MD 7 276 335 + CD_AB42_31 C_AB42_39 1 0.000000e+00 4.722991e-06 ; 3.206366e-01 -4.722991e-06 1.956139e-03 1.307993e-03 0.000485 0.000060 True native_MD 7 276 335 CD_AB42_31 O_AB42_39 1 3.944267e-04 3.442870e-07 ; 3.091427e-01 1.129671e-01 1.883478e-03 1.277708e-03 0.000485 0.001191 True native_MD 7 276 336 - CD_AB42_31 N_AB42_40 1 0.000000e+00 2.741554e-06 ; 3.064277e-01 -2.741554e-06 1.123247e-03 6.228509e-04 0.000485 0.000060 True native_MD 7 276 337 + CD_AB42_31 N_AB42_40 1 0.000000e+00 2.741528e-06 ; 3.064275e-01 -2.741528e-06 1.123247e-03 6.228509e-04 0.000485 0.000060 True native_MD 7 276 337 CD_AB42_31 CA_AB42_40 1 3.230397e-03 1.814438e-05 ; 4.216134e-01 1.437837e-01 9.464769e-03 4.144084e-03 0.000485 0.001932 True native_MD 7 276 339 CD_AB42_31 CB_AB42_40 1 2.887651e-03 1.346598e-05 ; 4.087417e-01 1.548072e-01 2.190414e-02 6.895661e-03 0.000485 0.001932 True native_MD 7 276 340 CD_AB42_31 CG1_AB42_40 1 1.536452e-03 3.103293e-06 ; 3.555363e-01 1.901759e-01 1.902972e-02 5.717003e-03 0.000485 0.005315 True native_MD 7 276 341 CD_AB42_31 CG2_AB42_40 1 1.334602e-03 2.312239e-06 ; 3.465614e-01 1.925798e-01 1.994687e-02 5.576580e-03 0.000485 0.005315 True native_MD 7 276 342 - CD_AB42_31 C_AB42_40 1 0.000000e+00 4.714602e-06 ; 3.205891e-01 -4.714602e-06 3.222874e-03 7.867757e-04 0.000485 0.000060 True native_MD 7 276 343 + CD_AB42_31 C_AB42_40 1 0.000000e+00 4.714541e-06 ; 3.205888e-01 -4.714541e-06 3.222874e-03 7.867757e-04 0.000485 0.000060 True native_MD 7 276 343 CD_AB42_31 O_AB42_40 1 3.374696e-04 2.276690e-07 ; 2.961499e-01 1.250562e-01 2.519981e-03 1.071543e-03 0.000485 0.001191 True native_MD 7 276 344 - CD_AB42_31 N_AB42_41 1 0.000000e+00 2.739308e-06 ; 3.064068e-01 -2.739308e-06 1.878087e-03 5.588934e-04 0.000485 0.000060 True native_MD 7 276 345 + CD_AB42_31 N_AB42_41 1 0.000000e+00 2.739282e-06 ; 3.064066e-01 -2.739282e-06 1.878087e-03 5.588934e-04 0.000485 0.000060 True native_MD 7 276 345 CD_AB42_31 CA_AB42_41 1 2.921576e-03 1.350295e-05 ; 4.081332e-01 1.580323e-01 1.001722e-02 2.863400e-03 0.000485 0.001932 True native_MD 7 276 347 CD_AB42_31 CB_AB42_41 1 2.672461e-03 1.042253e-05 ; 3.967439e-01 1.713127e-01 2.548082e-02 4.894932e-03 0.000485 0.001932 True native_MD 7 276 348 CD_AB42_31 CG1_AB42_41 1 2.018101e-03 5.549640e-06 ; 3.743004e-01 1.834684e-01 2.583373e-02 4.162474e-03 0.000485 0.002332 True native_MD 7 276 349 CD_AB42_31 CG2_AB42_41 1 1.459425e-03 2.730704e-06 ; 3.510337e-01 1.949974e-01 2.043620e-02 4.692144e-03 0.000485 0.005315 True native_MD 7 276 350 CD_AB42_31 CD_AB42_41 1 1.516467e-03 2.857628e-06 ; 3.514489e-01 2.011871e-01 2.595945e-02 5.609477e-03 0.000485 0.005315 True native_MD 7 276 351 - CD_AB42_31 C_AB42_41 1 0.000000e+00 4.710643e-06 ; 3.205667e-01 -4.710643e-06 4.088275e-03 8.143984e-04 0.000485 0.000060 True native_MD 7 276 352 + CD_AB42_31 C_AB42_41 1 0.000000e+00 4.710581e-06 ; 3.205663e-01 -4.710581e-06 4.088275e-03 8.143984e-04 0.000485 0.000060 True native_MD 7 276 352 CD_AB42_31 O_AB42_41 1 3.898988e-04 2.786826e-07 ; 2.990150e-01 1.363747e-01 3.535904e-03 1.056732e-03 0.000485 0.001191 True native_MD 7 276 353 - CD_AB42_31 N_AB42_42 1 0.000000e+00 2.739010e-06 ; 3.064040e-01 -2.739010e-06 2.080375e-03 6.524725e-04 0.000485 0.000060 True native_MD 7 276 354 + CD_AB42_31 N_AB42_42 1 0.000000e+00 2.738984e-06 ; 3.064038e-01 -2.738984e-06 2.080375e-03 6.524725e-04 0.000485 0.000060 True native_MD 7 276 354 CD_AB42_31 CA_AB42_42 1 1.323379e-03 3.378836e-06 ; 3.696980e-01 1.295811e-01 5.601889e-03 3.751803e-03 0.000485 0.001932 True native_MD 7 276 356 CD_AB42_31 CB_AB42_42 1 1.031983e-03 1.766758e-06 ; 3.458736e-01 1.506981e-01 5.428212e-03 3.414312e-03 0.000485 0.005315 True native_MD 7 276 357 - CD_AB42_31 C_AB42_42 1 0.000000e+00 4.729112e-06 ; 3.206712e-01 -4.729112e-06 1.274508e-03 1.908524e-03 0.000485 0.000060 True native_MD 7 276 358 + CD_AB42_31 C_AB42_42 1 0.000000e+00 4.729050e-06 ; 3.206709e-01 -4.729050e-06 1.274508e-03 1.908524e-03 0.000485 0.000060 True native_MD 7 276 358 CD_AB42_31 O1_AB42_42 1 0.000000e+00 1.218223e-06 ; 2.863995e-01 -1.218223e-06 6.235790e-04 1.246178e-03 0.000485 0.000060 True native_MD 7 276 359 CD_AB42_31 O2_AB42_42 1 0.000000e+00 1.218223e-06 ; 2.863995e-01 -1.218223e-06 6.235790e-04 1.246178e-03 0.000485 0.000060 True native_MD 7 276 360 - C_AB42_31 CB_AB42_32 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 277 282 - C_AB42_31 CG1_AB42_32 1 0.000000e+00 6.332692e-06 ; 3.285696e-01 -6.332692e-06 9.999601e-01 9.997598e-01 0.000485 0.000060 True native_MD 4 277 283 - C_AB42_31 CG2_AB42_32 1 0.000000e+00 4.659676e-06 ; 3.202762e-01 -4.659676e-06 9.975379e-01 9.834800e-01 0.000485 0.000060 True native_MD 4 277 284 - C_AB42_31 CD_AB42_32 1 0.000000e+00 4.489800e-06 ; 3.192865e-01 -4.489800e-06 3.474328e-01 2.974308e-01 0.000485 0.000060 True native_MD 5 277 285 - C_AB42_31 O_AB42_32 1 0.000000e+00 7.711702e-07 ; 2.756920e-01 -7.711702e-07 9.755793e-01 9.081349e-01 0.000485 0.000060 True native_MD 4 277 287 - C_AB42_31 N_AB42_33 1 0.000000e+00 1.491100e-06 ; 2.912643e-01 -1.491100e-06 9.797343e-01 9.684299e-01 0.000485 0.000060 True native_MD 4 277 288 - C_AB42_31 CA_AB42_33 1 0.000000e+00 5.482266e-06 ; 3.246447e-01 -5.482266e-06 7.533571e-01 6.188923e-01 0.000485 0.000060 True native_MD 5 277 290 - C_AB42_31 C_AB42_33 1 0.000000e+00 1.693229e-06 ; 2.943662e-01 -1.693229e-06 3.974484e-01 4.904872e-02 0.000485 0.000060 True native_MD 6 277 291 + C_AB42_31 CB_AB42_32 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 277 282 + C_AB42_31 CG1_AB42_32 1 0.000000e+00 6.332586e-06 ; 3.285691e-01 -6.332586e-06 9.999601e-01 9.997598e-01 0.000485 0.000060 True native_MD 4 277 283 + C_AB42_31 CG2_AB42_32 1 0.000000e+00 4.659616e-06 ; 3.202758e-01 -4.659616e-06 9.975379e-01 9.834800e-01 0.000485 0.000060 True native_MD 4 277 284 + C_AB42_31 CD_AB42_32 1 0.000000e+00 4.489742e-06 ; 3.192862e-01 -4.489742e-06 3.474328e-01 2.974308e-01 0.000485 0.000060 True native_MD 5 277 285 + C_AB42_31 O_AB42_32 1 0.000000e+00 7.711666e-07 ; 2.756919e-01 -7.711666e-07 9.755793e-01 9.081349e-01 0.000485 0.000060 True native_MD 4 277 287 + C_AB42_31 N_AB42_33 1 0.000000e+00 1.491079e-06 ; 2.912639e-01 -1.491079e-06 9.797343e-01 9.684299e-01 0.000485 0.000060 True native_MD 4 277 288 + C_AB42_31 CA_AB42_33 1 0.000000e+00 5.482174e-06 ; 3.246443e-01 -5.482174e-06 7.533571e-01 6.188923e-01 0.000485 0.000060 True native_MD 5 277 290 + C_AB42_31 C_AB42_33 1 0.000000e+00 1.693199e-06 ; 2.943658e-01 -1.693199e-06 3.974484e-01 4.904872e-02 0.000485 0.000060 True native_MD 6 277 291 C_AB42_31 O_AB42_33 1 9.172067e-04 2.025238e-06 ; 3.608567e-01 1.038480e-01 1.714337e-02 2.779743e-02 0.000485 0.002166 True native_MD 7 277 292 C_AB42_31 N_AB42_34 1 1.004438e-03 1.456207e-06 ; 3.364212e-01 1.732061e-01 4.681176e-01 9.524319e-02 0.000485 0.002166 True native_MD 7 277 293 C_AB42_31 CA_AB42_34 1 2.910099e-03 1.383004e-05 ; 4.100335e-01 1.530848e-01 4.732034e-01 1.086660e-01 0.000485 0.001339 True native_MD 7 277 295 - C_AB42_31 CB_AB42_34 1 0.000000e+00 4.034646e-06 ; 3.164551e-01 -4.034646e-06 4.666445e-01 1.036308e-01 0.000485 0.000060 True native_MD 7 277 296 - C_AB42_31 CG_AB42_34 1 0.000000e+00 9.635424e-06 ; 3.402652e-01 -9.635424e-06 3.966309e-01 1.348721e-01 0.000485 0.000060 True native_MD 7 277 297 - C_AB42_31 CD1_AB42_34 1 0.000000e+00 4.096662e-06 ; 3.168576e-01 -4.096662e-06 2.053698e-01 7.218358e-02 0.000485 0.000060 True native_MD 7 277 298 - C_AB42_31 CD2_AB42_34 1 0.000000e+00 4.670097e-06 ; 3.203358e-01 -4.670097e-06 3.886438e-02 2.701141e-02 0.000485 0.000060 True native_MD 7 277 299 + C_AB42_31 CB_AB42_34 1 0.000000e+00 4.034579e-06 ; 3.164547e-01 -4.034579e-06 4.666445e-01 1.036308e-01 0.000485 0.000060 True native_MD 7 277 296 + C_AB42_31 CG_AB42_34 1 0.000000e+00 9.635375e-06 ; 3.402651e-01 -9.635375e-06 3.966309e-01 1.348721e-01 0.000485 0.000060 True native_MD 7 277 297 + C_AB42_31 CD1_AB42_34 1 0.000000e+00 4.096609e-06 ; 3.168573e-01 -4.096609e-06 2.053698e-01 7.218358e-02 0.000485 0.000060 True native_MD 7 277 298 + C_AB42_31 CD2_AB42_34 1 0.000000e+00 4.670036e-06 ; 3.203355e-01 -4.670036e-06 3.886438e-02 2.701141e-02 0.000485 0.000060 True native_MD 7 277 299 C_AB42_31 C_AB42_34 1 5.291466e-03 3.102219e-05 ; 4.246353e-01 2.256418e-01 1.359537e-01 5.759379e-03 0.000485 0.002166 True native_MD 7 277 300 C_AB42_31 O_AB42_34 1 7.989498e-04 1.723720e-06 ; 3.594661e-01 9.257894e-02 4.862486e-03 1.104657e-02 0.000485 0.002166 True native_MD 7 277 301 C_AB42_31 N_AB42_35 1 2.600044e-03 6.861652e-06 ; 3.717417e-01 2.463047e-01 2.359789e-01 5.386601e-03 0.000485 0.002166 True native_MD 7 277 302 @@ -48332,9 +48332,9 @@ CG2_AB42_31 O2_AB42_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465 C_AB42_31 O_AB42_35 1 9.437905e-04 1.434112e-06 ; 3.390663e-01 1.552774e-01 6.225465e-03 1.441945e-03 0.000485 0.002166 True native_MD 7 277 310 C_AB42_31 N_AB42_36 1 1.520585e-03 4.052011e-06 ; 3.723431e-01 1.426563e-01 4.267165e-03 7.408186e-06 0.000485 0.002166 True native_MD 7 277 311 C_AB42_31 CA_AB42_36 1 5.150768e-03 4.177765e-05 ; 4.482414e-01 1.587596e-01 6.909222e-03 8.302828e-04 0.000485 0.001339 True native_MD 7 277 313 - C_AB42_31 CB_AB42_36 1 0.000000e+00 1.289743e-05 ; 3.486344e-01 -1.289743e-05 1.562354e-02 3.790978e-03 0.000485 0.000060 True native_MD 7 277 314 - C_AB42_31 CG1_AB42_36 1 0.000000e+00 4.706653e-06 ; 3.205440e-01 -4.706653e-06 8.150526e-03 4.032432e-03 0.000485 0.000060 True native_MD 7 277 315 - C_AB42_31 CG2_AB42_36 1 0.000000e+00 4.674200e-06 ; 3.203593e-01 -4.674200e-06 1.595192e-02 4.966985e-03 0.000485 0.000060 True native_MD 7 277 316 + C_AB42_31 CB_AB42_36 1 0.000000e+00 1.289736e-05 ; 3.486343e-01 -1.289736e-05 1.562354e-02 3.790978e-03 0.000485 0.000060 True native_MD 7 277 314 + C_AB42_31 CG1_AB42_36 1 0.000000e+00 4.706592e-06 ; 3.205437e-01 -4.706592e-06 8.150526e-03 4.032432e-03 0.000485 0.000060 True native_MD 7 277 315 + C_AB42_31 CG2_AB42_36 1 0.000000e+00 4.674139e-06 ; 3.203589e-01 -4.674139e-06 1.595192e-02 4.966985e-03 0.000485 0.000060 True native_MD 7 277 316 C_AB42_31 C_AB42_36 1 1.668259e-03 8.109939e-06 ; 4.115845e-01 8.579249e-02 7.782155e-04 9.747823e-05 0.000485 0.002166 True native_MD 7 277 317 C_AB42_31 O_AB42_36 1 1.154326e-03 3.537137e-06 ; 3.811131e-01 9.417708e-02 1.000165e-03 3.759141e-04 0.000485 0.002166 True native_MD 7 277 318 C_AB42_31 N_AB42_37 1 1.127803e-03 3.126711e-06 ; 3.748082e-01 1.016994e-01 1.252671e-03 8.434547e-05 0.000485 0.002166 True native_MD 7 277 319 @@ -48346,35 +48346,35 @@ CG2_AB42_31 O2_AB42_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465 C_AB42_31 O_AB42_38 1 9.831466e-04 2.361839e-06 ; 3.659643e-01 1.023119e-01 1.275843e-03 3.159230e-04 0.000485 0.002166 True native_MD 7 277 328 C_AB42_31 N_AB42_39 1 9.655888e-04 2.297656e-06 ; 3.653834e-01 1.014470e-01 1.243245e-03 4.122778e-06 0.000485 0.002166 True native_MD 7 277 329 C_AB42_31 CA_AB42_39 1 3.283591e-03 2.391627e-05 ; 4.402750e-01 1.127054e-01 1.741319e-03 2.558437e-04 0.000485 0.001339 True native_MD 7 277 331 - C_AB42_31 CB_AB42_39 1 0.000000e+00 1.302433e-05 ; 3.489190e-01 -1.302433e-05 3.940289e-03 1.830347e-03 0.000485 0.000060 True native_MD 7 277 332 - C_AB42_31 CG1_AB42_39 1 0.000000e+00 4.721179e-06 ; 3.206263e-01 -4.721179e-06 3.513109e-03 2.468548e-03 0.000485 0.000060 True native_MD 7 277 333 - C_AB42_31 CG2_AB42_39 1 0.000000e+00 4.715278e-06 ; 3.205929e-01 -4.715278e-06 3.929602e-03 1.636521e-03 0.000485 0.000060 True native_MD 7 277 334 + C_AB42_31 CB_AB42_39 1 0.000000e+00 1.302426e-05 ; 3.489188e-01 -1.302426e-05 3.940289e-03 1.830347e-03 0.000485 0.000060 True native_MD 7 277 332 + C_AB42_31 CG1_AB42_39 1 0.000000e+00 4.721117e-06 ; 3.206260e-01 -4.721117e-06 3.513109e-03 2.468548e-03 0.000485 0.000060 True native_MD 7 277 333 + C_AB42_31 CG2_AB42_39 1 0.000000e+00 4.715217e-06 ; 3.205926e-01 -4.715217e-06 3.929602e-03 1.636521e-03 0.000485 0.000060 True native_MD 7 277 334 C_AB42_31 C_AB42_39 1 1.892447e-03 9.347370e-06 ; 4.126776e-01 9.578513e-02 1.049472e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 277 335 C_AB42_31 O_AB42_39 1 4.590972e-04 4.930025e-07 ; 3.200055e-01 1.068809e-01 1.462781e-03 5.123620e-05 0.000485 0.002166 True native_MD 7 277 336 C_AB42_31 CA_AB42_40 1 2.896436e-03 2.088419e-05 ; 4.395338e-01 1.004270e-01 1.205867e-03 1.113001e-04 0.000485 0.001339 True native_MD 7 277 339 C_AB42_31 CB_AB42_40 1 2.138181e-03 1.340409e-05 ; 4.294034e-01 8.526912e-02 9.146232e-03 7.128988e-04 0.000485 0.000060 True native_MD 7 277 340 - C_AB42_31 CG1_AB42_40 1 0.000000e+00 4.696733e-06 ; 3.204877e-01 -4.696733e-06 7.113784e-03 8.967486e-04 0.000485 0.000060 True native_MD 7 277 341 + C_AB42_31 CG1_AB42_40 1 0.000000e+00 4.696672e-06 ; 3.204873e-01 -4.696672e-06 7.113784e-03 8.967486e-04 0.000485 0.000060 True native_MD 7 277 341 C_AB42_31 CG2_AB42_40 1 6.835042e-04 1.570472e-06 ; 3.632577e-01 7.436903e-02 1.103457e-02 1.191807e-03 0.000485 0.000060 True native_MD 7 277 342 C_AB42_31 CA_AB42_41 1 6.931377e-03 8.022503e-05 ; 4.756072e-01 1.497163e-01 5.271045e-03 0.000000e+00 0.000485 0.001339 True native_MD 7 277 347 C_AB42_31 CB_AB42_41 1 1.934924e-03 8.392376e-06 ; 4.038346e-01 1.115277e-01 1.114344e-02 3.958503e-04 0.000485 0.000060 True native_MD 7 277 348 C_AB42_31 CG1_AB42_41 1 1.751925e-03 7.773917e-06 ; 4.053723e-01 9.870322e-02 7.106891e-03 3.705671e-04 0.000485 0.000060 True native_MD 7 277 349 C_AB42_31 CG2_AB42_41 1 1.161430e-03 3.443493e-06 ; 3.790248e-01 9.793256e-02 1.047121e-02 5.587275e-04 0.000485 0.000060 True native_MD 7 277 350 - C_AB42_31 CD_AB42_41 1 0.000000e+00 4.688908e-06 ; 3.204431e-01 -4.688908e-06 9.441827e-03 1.569093e-03 0.000485 0.000060 True native_MD 7 277 351 + C_AB42_31 CD_AB42_41 1 0.000000e+00 4.688847e-06 ; 3.204428e-01 -4.688847e-06 9.441827e-03 1.569093e-03 0.000485 0.000060 True native_MD 7 277 351 C_AB42_31 C_AB42_41 1 2.551313e-03 1.538410e-05 ; 4.266300e-01 1.057780e-01 1.415288e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 277 352 C_AB42_31 O_AB42_41 1 9.322903e-04 1.591329e-06 ; 3.457017e-01 1.365471e-01 3.554185e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 277 353 C_AB42_31 CA_AB42_42 1 4.319343e-03 4.037442e-05 ; 4.589670e-01 1.155232e-01 1.894523e-03 4.616407e-04 0.000485 0.001339 True native_MD 7 277 356 - C_AB42_31 CB_AB42_42 1 0.000000e+00 4.719224e-06 ; 3.206153e-01 -4.719224e-06 2.245061e-03 7.868880e-04 0.000485 0.000060 True native_MD 7 277 357 + C_AB42_31 CB_AB42_42 1 0.000000e+00 4.719163e-06 ; 3.206149e-01 -4.719163e-06 2.245061e-03 7.868880e-04 0.000485 0.000060 True native_MD 7 277 357 O_AB42_31 O_AB42_31 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 278 278 O_AB42_31 H_AB42_32 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 278 280 - O_AB42_31 CB_AB42_32 1 0.000000e+00 4.153471e-06 ; 3.172215e-01 -4.153471e-06 1.000000e+00 9.999943e-01 0.000485 0.000060 True native_MD 4 278 282 - O_AB42_31 CG1_AB42_32 1 0.000000e+00 2.198853e-06 ; 3.008463e-01 -2.198853e-06 4.157746e-01 5.066617e-01 0.000485 0.000060 True native_MD 5 278 283 + O_AB42_31 CB_AB42_32 1 0.000000e+00 4.153504e-06 ; 3.172217e-01 -4.153504e-06 1.000000e+00 9.999943e-01 0.000485 0.000060 True native_MD 4 278 282 + O_AB42_31 CG1_AB42_32 1 0.000000e+00 2.198845e-06 ; 3.008462e-01 -2.198845e-06 4.157746e-01 5.066617e-01 0.000485 0.000060 True native_MD 5 278 283 O_AB42_31 CG2_AB42_32 1 0.000000e+00 1.617263e-06 ; 2.932424e-01 -1.617263e-06 3.161742e-01 3.914877e-01 0.000485 0.000060 True native_MD 5 278 284 O_AB42_31 CD_AB42_32 1 0.000000e+00 1.411902e-06 ; 2.899426e-01 -1.411902e-06 1.645716e-01 1.033414e-01 0.000485 0.000060 True native_MD 6 278 285 - O_AB42_31 C_AB42_32 1 0.000000e+00 8.238728e-07 ; 2.772150e-01 -8.238728e-07 9.999511e-01 9.962386e-01 0.000485 0.000060 True native_MD 4 278 286 + O_AB42_31 C_AB42_32 1 0.000000e+00 8.238690e-07 ; 2.772149e-01 -8.238690e-07 9.999511e-01 9.962386e-01 0.000485 0.000060 True native_MD 4 278 286 O_AB42_31 O_AB42_32 1 0.000000e+00 1.361897e-06 ; 2.890727e-01 -1.361897e-06 9.316393e-01 8.395705e-01 0.000485 0.000060 True native_MD 5 278 287 O_AB42_31 N_AB42_33 1 0.000000e+00 1.445311e-06 ; 2.905082e-01 -1.445311e-06 9.326518e-01 8.961928e-01 0.000485 0.000060 True native_MD 5 278 288 - O_AB42_31 H_AB42_33 1 0.000000e+00 1.394897e-08 ; 1.973362e-01 -1.394897e-08 2.281509e-01 1.271447e-01 0.000485 0.000060 True native_MD 6 278 289 - O_AB42_31 CA_AB42_33 1 0.000000e+00 1.442539e-06 ; 2.904618e-01 -1.442539e-06 5.943259e-01 3.099929e-01 0.000485 0.000060 True native_MD 6 278 290 + O_AB42_31 H_AB42_33 1 0.000000e+00 1.394919e-08 ; 1.973365e-01 -1.394919e-08 2.281509e-01 1.271447e-01 0.000485 0.000060 True native_MD 6 278 289 + O_AB42_31 CA_AB42_33 1 0.000000e+00 1.442533e-06 ; 2.904617e-01 -1.442533e-06 5.943259e-01 3.099929e-01 0.000485 0.000060 True native_MD 6 278 290 O_AB42_31 C_AB42_33 1 1.610205e-03 3.387290e-06 ; 3.579551e-01 1.913594e-01 3.706775e-01 4.380748e-02 0.000485 0.002166 True native_MD 7 278 291 O_AB42_31 O_AB42_33 1 0.000000e+00 1.527126e-06 ; 2.918443e-01 -1.527126e-06 3.500839e-02 5.309255e-02 0.000485 0.000060 True native_MD 7 278 292 O_AB42_31 N_AB42_34 1 2.083479e-04 7.054918e-08 ; 2.640080e-01 1.538247e-01 4.764924e-01 1.731570e-01 0.000485 0.002166 True native_MD 7 278 293 @@ -48441,19 +48441,19 @@ CG2_AB42_31 O2_AB42_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465 O_AB42_31 CB_AB42_42 1 3.401111e-04 2.456104e-07 ; 2.995282e-01 1.177429e-01 2.024645e-03 9.449244e-04 0.000485 0.001191 True native_MD 7 278 357 O_AB42_31 O1_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 278 359 O_AB42_31 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 278 360 - N_AB42_32 CB_AB42_32 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 282 - N_AB42_32 CG1_AB42_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 283 - N_AB42_32 CG2_AB42_32 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 284 - N_AB42_32 CD_AB42_32 1 0.000000e+00 2.796039e-06 ; 3.069307e-01 -2.796039e-06 9.298888e-01 9.492524e-01 0.000485 0.000060 True native_MD 4 279 285 - N_AB42_32 CA_AB42_33 1 0.000000e+00 3.569385e-06 ; 3.132404e-01 -3.569385e-06 9.905499e-01 9.615253e-01 0.000485 0.000060 True native_MD 4 279 290 - N_AB42_32 C_AB42_33 1 0.000000e+00 1.327453e-06 ; 2.884562e-01 -1.327453e-06 1.494541e-01 2.964112e-02 0.000485 0.000060 True native_MD 5 279 291 + N_AB42_32 CB_AB42_32 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 282 + N_AB42_32 CG1_AB42_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 283 + N_AB42_32 CG2_AB42_32 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 284 + N_AB42_32 CD_AB42_32 1 0.000000e+00 2.796013e-06 ; 3.069304e-01 -2.796013e-06 9.298888e-01 9.492524e-01 0.000485 0.000060 True native_MD 4 279 285 + N_AB42_32 CA_AB42_33 1 0.000000e+00 3.569338e-06 ; 3.132401e-01 -3.569338e-06 9.905499e-01 9.615253e-01 0.000485 0.000060 True native_MD 4 279 290 + N_AB42_32 C_AB42_33 1 0.000000e+00 1.327434e-06 ; 2.884559e-01 -1.327434e-06 1.494541e-01 2.964112e-02 0.000485 0.000060 True native_MD 5 279 291 N_AB42_32 O_AB42_33 1 0.000000e+00 1.526735e-06 ; 2.918381e-01 -1.526735e-06 3.771783e-02 5.554100e-02 0.000485 0.000060 True native_MD 6 279 292 - N_AB42_32 N_AB42_34 1 0.000000e+00 5.954791e-07 ; 2.698157e-01 -5.954791e-07 3.672303e-01 4.754924e-02 0.000485 0.000060 True native_MD 6 279 293 + N_AB42_32 N_AB42_34 1 0.000000e+00 5.954728e-07 ; 2.698155e-01 -5.954728e-07 3.672303e-01 4.754924e-02 0.000485 0.000060 True native_MD 6 279 293 N_AB42_32 CA_AB42_34 1 7.505708e-03 7.628875e-05 ; 4.654197e-01 1.846132e-01 2.487114e-01 2.223218e-02 0.000485 0.001339 True native_MD 7 279 295 - N_AB42_32 CB_AB42_34 1 0.000000e+00 3.503038e-06 ; 3.127510e-01 -3.503038e-06 5.991821e-02 1.284537e-02 0.000485 0.000060 True native_MD 7 279 296 - N_AB42_32 CG_AB42_34 1 0.000000e+00 7.412088e-06 ; 3.329073e-01 -7.412088e-06 5.952438e-02 3.801851e-02 0.000485 0.000060 True native_MD 7 279 297 - N_AB42_32 CD1_AB42_34 1 0.000000e+00 2.760222e-06 ; 3.066011e-01 -2.760222e-06 5.043279e-03 1.134901e-02 0.000485 0.000060 True native_MD 7 279 298 - N_AB42_32 CD2_AB42_34 1 0.000000e+00 2.745580e-06 ; 3.064652e-01 -2.745580e-06 3.509528e-03 4.476901e-03 0.000485 0.000060 True native_MD 7 279 299 + N_AB42_32 CB_AB42_34 1 0.000000e+00 3.502992e-06 ; 3.127507e-01 -3.502992e-06 5.991821e-02 1.284537e-02 0.000485 0.000060 True native_MD 7 279 296 + N_AB42_32 CG_AB42_34 1 0.000000e+00 7.412076e-06 ; 3.329073e-01 -7.412076e-06 5.952438e-02 3.801851e-02 0.000485 0.000060 True native_MD 7 279 297 + N_AB42_32 CD1_AB42_34 1 0.000000e+00 2.760196e-06 ; 3.066008e-01 -2.760196e-06 5.043279e-03 1.134901e-02 0.000485 0.000060 True native_MD 7 279 298 + N_AB42_32 CD2_AB42_34 1 0.000000e+00 2.745554e-06 ; 3.064650e-01 -2.745554e-06 3.509528e-03 4.476901e-03 0.000485 0.000060 True native_MD 7 279 299 N_AB42_32 O_AB42_34 1 0.000000e+00 1.508195e-06 ; 2.915411e-01 -1.508195e-06 6.908804e-04 6.154512e-03 0.000485 0.002166 True native_MD 7 279 301 N_AB42_32 N_AB42_35 1 2.200631e-03 8.421899e-06 ; 3.954976e-01 1.437555e-01 5.870525e-03 7.949418e-05 0.000485 0.000060 True native_MD 7 279 302 N_AB42_32 CA_AB42_35 1 8.919587e-03 9.431810e-05 ; 4.684987e-01 2.108796e-01 3.287113e-02 8.079120e-04 0.000485 0.001339 True native_MD 7 279 304 @@ -48465,8 +48465,8 @@ CG2_AB42_31 O2_AB42_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465 N_AB42_32 N_AB42_36 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 5.360920e-05 0.000000e+00 0.000485 0.000060 True native_MD 7 279 311 N_AB42_32 CA_AB42_36 1 4.365215e-03 4.045185e-05 ; 4.583059e-01 1.177641e-01 2.025928e-03 1.682318e-04 0.000485 0.001339 True native_MD 7 279 313 N_AB42_32 CB_AB42_36 1 1.084909e-03 3.973941e-06 ; 3.926191e-01 7.404656e-02 1.042466e-02 1.136851e-03 0.000485 0.000060 True native_MD 7 279 314 - N_AB42_32 CG1_AB42_36 1 0.000000e+00 2.738011e-06 ; 3.063947e-01 -2.738011e-06 3.495737e-03 1.703670e-03 0.000485 0.000060 True native_MD 7 279 315 - N_AB42_32 CG2_AB42_36 1 0.000000e+00 2.725678e-06 ; 3.062795e-01 -2.725678e-06 8.993175e-03 2.704923e-03 0.000485 0.000060 True native_MD 7 279 316 + N_AB42_32 CG1_AB42_36 1 0.000000e+00 2.737985e-06 ; 3.063945e-01 -2.737985e-06 3.495737e-03 1.703670e-03 0.000485 0.000060 True native_MD 7 279 315 + N_AB42_32 CG2_AB42_36 1 0.000000e+00 2.725652e-06 ; 3.062792e-01 -2.725652e-06 8.993175e-03 2.704923e-03 0.000485 0.000060 True native_MD 7 279 316 N_AB42_32 O_AB42_36 1 1.248917e-03 3.344115e-06 ; 3.726416e-01 1.166073e-01 1.956997e-03 4.116029e-04 0.000485 0.002166 True native_MD 7 279 318 N_AB42_32 N_AB42_37 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.484585e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 279 319 N_AB42_32 CA_AB42_37 1 2.009920e-03 8.076035e-06 ; 3.987217e-01 1.250545e-01 2.519855e-03 6.517341e-04 0.000485 0.001584 True native_MD 7 279 321 @@ -48476,29 +48476,29 @@ CG2_AB42_31 O2_AB42_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465 N_AB42_32 O_AB42_38 1 1.000017e-03 2.131186e-06 ; 3.587311e-01 1.173096e-01 1.998561e-03 5.271621e-04 0.000485 0.002166 True native_MD 7 279 328 N_AB42_32 N_AB42_39 1 5.043585e-04 6.794178e-07 ; 3.323275e-01 9.360126e-02 9.830776e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 279 329 N_AB42_32 CA_AB42_39 1 2.200448e-03 1.074092e-05 ; 4.118652e-01 1.126992e-01 1.740996e-03 1.028995e-04 0.000485 0.001339 True native_MD 7 279 331 - N_AB42_32 CB_AB42_39 1 0.000000e+00 7.560664e-06 ; 3.334584e-01 -7.560664e-06 2.681368e-03 7.895711e-04 0.000485 0.000060 True native_MD 7 279 332 - N_AB42_32 CG1_AB42_39 1 0.000000e+00 2.741424e-06 ; 3.064265e-01 -2.741424e-06 1.842811e-03 1.295031e-03 0.000485 0.000060 True native_MD 7 279 333 - N_AB42_32 CG2_AB42_39 1 0.000000e+00 2.740716e-06 ; 3.064199e-01 -2.740716e-06 2.194488e-03 1.388714e-03 0.000485 0.000060 True native_MD 7 279 334 + N_AB42_32 CB_AB42_39 1 0.000000e+00 7.560653e-06 ; 3.334584e-01 -7.560653e-06 2.681368e-03 7.895711e-04 0.000485 0.000060 True native_MD 7 279 332 + N_AB42_32 CG1_AB42_39 1 0.000000e+00 2.741398e-06 ; 3.064263e-01 -2.741398e-06 1.842811e-03 1.295031e-03 0.000485 0.000060 True native_MD 7 279 333 + N_AB42_32 CG2_AB42_39 1 0.000000e+00 2.740690e-06 ; 3.064197e-01 -2.740690e-06 2.194488e-03 1.388714e-03 0.000485 0.000060 True native_MD 7 279 334 N_AB42_32 C_AB42_39 1 8.063935e-04 1.582449e-06 ; 3.538320e-01 1.027317e-01 1.291971e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 279 335 N_AB42_32 O_AB42_39 1 1.353294e-04 3.938288e-08 ; 2.574261e-01 1.162565e-01 1.936555e-03 1.488047e-04 0.000485 0.002166 True native_MD 7 279 336 N_AB42_32 N_AB42_40 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 4.029062e-07 0.000000e+00 0.000485 0.000060 True native_MD 7 279 337 N_AB42_32 CA_AB42_40 1 3.252457e-03 2.798715e-05 ; 4.526799e-01 9.449401e-02 1.009696e-03 1.036061e-04 0.000485 0.001339 True native_MD 7 279 339 N_AB42_32 CB_AB42_40 1 1.921768e-03 1.073977e-05 ; 4.212588e-01 8.597005e-02 5.188026e-03 3.959844e-04 0.000485 0.000060 True native_MD 7 279 340 - N_AB42_32 CG1_AB42_40 1 0.000000e+00 2.732832e-06 ; 3.063464e-01 -2.732832e-06 4.468075e-03 7.878646e-04 0.000485 0.000060 True native_MD 7 279 341 + N_AB42_32 CG1_AB42_40 1 0.000000e+00 2.732806e-06 ; 3.063461e-01 -2.732806e-06 4.468075e-03 7.878646e-04 0.000485 0.000060 True native_MD 7 279 341 N_AB42_32 CG2_AB42_40 1 7.108965e-04 1.665518e-06 ; 3.644382e-01 7.585834e-02 6.146236e-03 6.348976e-04 0.000485 0.000060 True native_MD 7 279 342 N_AB42_32 N_AB42_41 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.666576e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 279 345 N_AB42_32 CA_AB42_41 1 2.993106e-03 2.259005e-05 ; 4.428934e-01 9.914414e-02 1.160451e-03 0.000000e+00 0.000485 0.001339 True native_MD 7 279 347 N_AB42_32 CB_AB42_41 1 3.228973e-03 2.049267e-05 ; 4.302845e-01 1.271951e-01 6.607718e-03 1.468722e-04 0.000485 0.000060 True native_MD 7 279 348 - N_AB42_32 CG1_AB42_41 1 0.000000e+00 3.671216e-06 ; 3.139756e-01 -3.671216e-06 1.587904e-03 2.644291e-04 0.000485 0.000060 True native_MD 7 279 349 + N_AB42_32 CG1_AB42_41 1 0.000000e+00 3.671168e-06 ; 3.139752e-01 -3.671168e-06 1.587904e-03 2.644291e-04 0.000485 0.000060 True native_MD 7 279 349 N_AB42_32 CG2_AB42_41 1 9.506454e-04 2.586001e-06 ; 3.736242e-01 8.736721e-02 4.502469e-03 3.295856e-04 0.000485 0.000060 True native_MD 7 279 350 - N_AB42_32 CD_AB42_41 1 0.000000e+00 2.737557e-06 ; 3.063905e-01 -2.737557e-06 2.755786e-03 7.981625e-04 0.000485 0.000060 True native_MD 7 279 351 + N_AB42_32 CD_AB42_41 1 0.000000e+00 2.737531e-06 ; 3.063902e-01 -2.737531e-06 2.755786e-03 7.981625e-04 0.000485 0.000060 True native_MD 7 279 351 N_AB42_32 C_AB42_41 1 8.963980e-04 2.203138e-06 ; 3.673585e-01 9.118012e-02 9.143683e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 279 352 N_AB42_32 O_AB42_41 1 3.441645e-04 1.925905e-07 ; 2.870636e-01 1.537579e-01 5.948714e-03 5.005527e-05 0.000485 0.002166 True native_MD 7 279 353 N_AB42_32 N_AB42_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 279 354 N_AB42_32 CA_AB42_42 1 4.100355e-03 3.686438e-05 ; 4.559994e-01 1.140187e-01 1.811115e-03 2.425225e-04 0.000485 0.001339 True native_MD 7 279 356 - N_AB42_32 CB_AB42_42 1 0.000000e+00 2.740189e-06 ; 3.064150e-01 -2.740189e-06 1.329619e-03 3.315775e-04 0.000485 0.000060 True native_MD 7 279 357 + N_AB42_32 CB_AB42_42 1 0.000000e+00 2.740163e-06 ; 3.064148e-01 -2.740163e-06 1.329619e-03 3.315775e-04 0.000485 0.000060 True native_MD 7 279 357 H_AB42_32 H_AB42_32 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 280 280 - H_AB42_32 O_AB42_32 1 0.000000e+00 1.703212e-08 ; 2.006476e-01 -1.703212e-08 3.481693e-01 4.458683e-01 0.000485 0.000060 True native_MD 4 280 287 + H_AB42_32 O_AB42_32 1 0.000000e+00 1.703239e-08 ; 2.006479e-01 -1.703239e-08 3.481693e-01 4.458683e-01 0.000485 0.000060 True native_MD 4 280 287 H_AB42_32 H_AB42_33 1 0.000000e+00 1.040486e-08 ; 1.925742e-01 -1.040486e-08 4.793899e-01 3.464612e-01 0.000485 0.000060 True native_MD 5 280 289 H_AB42_32 O_AB42_33 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 280 292 H_AB42_32 H_AB42_34 1 0.000000e+00 1.213687e-08 ; 1.950610e-01 -1.213687e-08 9.548449e-04 1.236030e-02 0.000485 0.000060 True native_MD 7 280 294 @@ -48520,16 +48520,16 @@ CG2_AB42_31 O2_AB42_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465 H_AB42_32 H_AB42_42 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 280 355 H_AB42_32 O1_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 280 359 H_AB42_32 O2_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 280 360 - CA_AB42_32 C_AB42_33 1 0.000000e+00 1.305192e-05 ; 3.489805e-01 -1.305192e-05 9.999959e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 281 291 - CA_AB42_32 O_AB42_33 1 0.000000e+00 3.317130e-06 ; 3.113330e-01 -3.317130e-06 4.510419e-01 2.496778e-01 0.000485 0.000060 True native_MD 5 281 292 - CA_AB42_32 N_AB42_34 1 0.000000e+00 9.100896e-06 ; 3.386507e-01 -9.100896e-06 5.563636e-01 7.578028e-01 0.000485 0.000060 True native_MD 5 281 293 - CA_AB42_32 CA_AB42_34 1 0.000000e+00 7.710804e-05 ; 4.046566e-01 -7.710804e-05 5.683942e-01 7.446153e-01 0.000485 0.000060 True native_MD 6 281 295 + CA_AB42_32 C_AB42_33 1 0.000000e+00 1.305185e-05 ; 3.489804e-01 -1.305185e-05 9.999959e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 281 291 + CA_AB42_32 O_AB42_33 1 0.000000e+00 3.317156e-06 ; 3.113332e-01 -3.317156e-06 4.510419e-01 2.496778e-01 0.000485 0.000060 True native_MD 5 281 292 + CA_AB42_32 N_AB42_34 1 0.000000e+00 9.100881e-06 ; 3.386507e-01 -9.100881e-06 5.563636e-01 7.578028e-01 0.000485 0.000060 True native_MD 5 281 293 + CA_AB42_32 CA_AB42_34 1 0.000000e+00 7.710861e-05 ; 4.046569e-01 -7.710861e-05 5.683942e-01 7.446153e-01 0.000485 0.000060 True native_MD 6 281 295 CA_AB42_32 CB_AB42_34 1 6.521229e-03 1.084386e-04 ; 5.052144e-01 9.804267e-02 4.670753e-01 4.246881e-01 0.000485 0.001021 True native_MD 7 281 296 CA_AB42_32 CG_AB42_34 1 5.119303e-03 9.278529e-05 ; 5.125207e-01 7.061265e-02 2.197213e-01 3.924954e-01 0.000485 0.000883 True native_MD 7 281 297 - CA_AB42_32 CD1_AB42_34 1 0.000000e+00 2.591132e-05 ; 3.695040e-01 -2.591132e-05 1.496804e-02 1.065265e-01 0.000485 0.001932 True native_MD 7 281 298 + CA_AB42_32 CD1_AB42_34 1 0.000000e+00 2.591130e-05 ; 3.695040e-01 -2.591130e-05 1.496804e-02 1.065265e-01 0.000485 0.001932 True native_MD 7 281 298 CA_AB42_32 CD2_AB42_34 1 1.049511e-03 3.828191e-06 ; 3.923447e-01 7.193174e-02 1.243731e-02 4.676071e-02 0.000485 0.001932 True native_MD 7 281 299 CA_AB42_32 C_AB42_34 1 8.109996e-03 1.003736e-04 ; 4.809499e-01 1.638180e-01 2.939083e-01 4.895096e-02 0.000485 0.001339 True native_MD 7 281 300 - CA_AB42_32 O_AB42_34 1 0.000000e+00 4.395520e-06 ; 3.187224e-01 -4.395520e-06 1.032687e-02 6.859716e-02 0.000485 0.001339 True native_MD 7 281 301 + CA_AB42_32 O_AB42_34 1 0.000000e+00 4.395555e-06 ; 3.187226e-01 -4.395555e-06 1.032687e-02 6.859716e-02 0.000485 0.001339 True native_MD 7 281 301 CA_AB42_32 N_AB42_35 1 2.972621e-03 1.262858e-05 ; 4.024412e-01 1.749302e-01 4.136353e-01 4.940273e-02 0.000485 0.001339 True native_MD 7 281 302 CA_AB42_32 CA_AB42_35 1 5.335678e-03 4.919180e-05 ; 4.579139e-01 1.446860e-01 4.266219e-01 8.304217e-02 0.000485 0.000883 True native_MD 7 281 304 CA_AB42_32 CB_AB42_35 1 2.195433e-03 7.726629e-06 ; 3.900123e-01 1.559518e-01 4.160946e-01 6.687274e-02 0.000485 0.001021 True native_MD 7 281 305 @@ -48581,29 +48581,29 @@ CG2_AB42_31 O2_AB42_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465 CA_AB42_32 C_AB42_42 1 4.388177e-03 3.974245e-05 ; 4.565571e-01 1.211305e-01 2.240663e-03 7.040663e-04 0.000485 0.001339 True native_MD 7 281 358 CA_AB42_32 O1_AB42_42 1 9.077274e-04 2.678379e-06 ; 3.787210e-01 7.690929e-02 5.965515e-04 4.736639e-04 0.000485 0.001339 True native_MD 7 281 359 CA_AB42_32 O2_AB42_42 1 9.077274e-04 2.678379e-06 ; 3.787210e-01 7.690929e-02 5.965515e-04 4.736639e-04 0.000485 0.001339 True native_MD 7 281 360 - CB_AB42_32 C_AB42_32 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 282 286 + CB_AB42_32 C_AB42_32 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 282 286 CB_AB42_32 O_AB42_32 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 282 287 - CB_AB42_32 N_AB42_33 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 282 288 - CB_AB42_32 CA_AB42_33 1 0.000000e+00 3.181367e-05 ; 3.758773e-01 -3.181367e-05 9.999974e-01 9.999980e-01 0.000485 0.000060 True native_MD 4 282 290 - CB_AB42_32 C_AB42_33 1 0.000000e+00 1.227953e-05 ; 3.472110e-01 -1.227953e-05 6.899252e-01 6.307509e-01 0.000485 0.000060 True native_MD 5 282 291 - CB_AB42_32 O_AB42_33 1 0.000000e+00 3.003868e-06 ; 3.087700e-01 -3.003868e-06 3.920003e-01 1.152148e-01 0.000485 0.000060 True native_MD 6 282 292 - CB_AB42_32 N_AB42_34 1 0.000000e+00 1.020134e-05 ; 3.418874e-01 -1.020134e-05 6.333743e-02 4.100496e-01 0.000485 0.000060 True native_MD 6 282 293 - CB_AB42_32 CA_AB42_34 1 0.000000e+00 8.801047e-05 ; 4.091409e-01 -8.801047e-05 5.741936e-02 3.999482e-01 0.000485 0.000883 True native_MD 7 282 295 - CB_AB42_32 CB_AB42_34 1 0.000000e+00 4.066531e-05 ; 3.836457e-01 -4.066531e-05 3.171439e-02 3.099490e-01 0.000485 0.001021 True native_MD 7 282 296 - CB_AB42_32 CG_AB42_34 1 0.000000e+00 8.274902e-05 ; 4.070445e-01 -8.274902e-05 2.950912e-02 2.917788e-01 0.000485 0.000883 True native_MD 7 282 297 - CB_AB42_32 CD1_AB42_34 1 0.000000e+00 2.711367e-05 ; 3.709033e-01 -2.711367e-05 1.238882e-02 1.545986e-01 0.000485 0.001932 True native_MD 7 282 298 - CB_AB42_32 CD2_AB42_34 1 0.000000e+00 2.487062e-05 ; 3.682439e-01 -2.487062e-05 9.356786e-03 5.707397e-02 0.000485 0.001932 True native_MD 7 282 299 - CB_AB42_32 C_AB42_34 1 0.000000e+00 1.398127e-05 ; 3.509866e-01 -1.398127e-05 1.839287e-02 8.960164e-02 0.000485 0.000060 True native_MD 7 282 300 - CB_AB42_32 O_AB42_34 1 0.000000e+00 4.466611e-06 ; 3.191488e-01 -4.466611e-06 1.470235e-02 9.008854e-02 0.000485 0.001191 True native_MD 7 282 301 - CB_AB42_32 N_AB42_35 1 0.000000e+00 7.743050e-06 ; 3.341214e-01 -7.743050e-06 2.327647e-02 4.546200e-02 0.000485 0.000060 True native_MD 7 282 302 + CB_AB42_32 N_AB42_33 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 282 288 + CB_AB42_32 CA_AB42_33 1 0.000000e+00 3.181354e-05 ; 3.758772e-01 -3.181354e-05 9.999974e-01 9.999980e-01 0.000485 0.000060 True native_MD 4 282 290 + CB_AB42_32 C_AB42_33 1 0.000000e+00 1.227947e-05 ; 3.472109e-01 -1.227947e-05 6.899252e-01 6.307509e-01 0.000485 0.000060 True native_MD 5 282 291 + CB_AB42_32 O_AB42_33 1 0.000000e+00 3.003891e-06 ; 3.087702e-01 -3.003891e-06 3.920003e-01 1.152148e-01 0.000485 0.000060 True native_MD 6 282 292 + CB_AB42_32 N_AB42_34 1 0.000000e+00 1.020132e-05 ; 3.418874e-01 -1.020132e-05 6.333743e-02 4.100496e-01 0.000485 0.000060 True native_MD 6 282 293 + CB_AB42_32 CA_AB42_34 1 0.000000e+00 8.801112e-05 ; 4.091411e-01 -8.801112e-05 5.741936e-02 3.999482e-01 0.000485 0.000883 True native_MD 7 282 295 + CB_AB42_32 CB_AB42_34 1 0.000000e+00 4.066514e-05 ; 3.836456e-01 -4.066514e-05 3.171439e-02 3.099490e-01 0.000485 0.001021 True native_MD 7 282 296 + CB_AB42_32 CG_AB42_34 1 0.000000e+00 8.274963e-05 ; 4.070448e-01 -8.274963e-05 2.950912e-02 2.917788e-01 0.000485 0.000883 True native_MD 7 282 297 + CB_AB42_32 CD1_AB42_34 1 0.000000e+00 2.711366e-05 ; 3.709033e-01 -2.711366e-05 1.238882e-02 1.545986e-01 0.000485 0.001932 True native_MD 7 282 298 + CB_AB42_32 CD2_AB42_34 1 0.000000e+00 2.487060e-05 ; 3.682439e-01 -2.487060e-05 9.356786e-03 5.707397e-02 0.000485 0.001932 True native_MD 7 282 299 + CB_AB42_32 C_AB42_34 1 0.000000e+00 1.398120e-05 ; 3.509865e-01 -1.398120e-05 1.839287e-02 8.960164e-02 0.000485 0.000060 True native_MD 7 282 300 + CB_AB42_32 O_AB42_34 1 0.000000e+00 4.466646e-06 ; 3.191490e-01 -4.466646e-06 1.470235e-02 9.008854e-02 0.000485 0.001191 True native_MD 7 282 301 + CB_AB42_32 N_AB42_35 1 0.000000e+00 7.743038e-06 ; 3.341214e-01 -7.743038e-06 2.327647e-02 4.546200e-02 0.000485 0.000060 True native_MD 7 282 302 CB_AB42_32 CA_AB42_35 1 1.121888e-02 2.498609e-04 ; 5.304260e-01 1.259334e-01 2.490858e-01 8.498170e-02 0.000485 0.000883 True native_MD 7 282 304 CB_AB42_32 CB_AB42_35 1 5.094584e-03 4.487775e-05 ; 4.544510e-01 1.445860e-01 3.095040e-01 6.989416e-02 0.000485 0.001021 True native_MD 7 282 305 CB_AB42_32 CG_AB42_35 1 4.350317e-03 3.500173e-05 ; 4.476392e-01 1.351737e-01 2.654812e-01 7.945789e-02 0.000485 0.001021 True native_MD 7 282 306 - CB_AB42_32 SD_AB42_35 1 0.000000e+00 1.150884e-05 ; 3.453406e-01 -1.150884e-05 1.790082e-01 4.023734e-02 0.000485 0.000060 True native_MD 7 282 307 + CB_AB42_32 SD_AB42_35 1 0.000000e+00 1.150896e-05 ; 3.453409e-01 -1.150896e-05 1.790082e-01 4.023734e-02 0.000485 0.000060 True native_MD 7 282 307 CB_AB42_32 CE_AB42_35 1 3.066719e-03 1.523813e-05 ; 4.130884e-01 1.542966e-01 1.801408e-01 5.758360e-02 0.000485 0.001932 True native_MD 7 282 308 - CB_AB42_32 C_AB42_35 1 0.000000e+00 1.304110e-05 ; 3.489564e-01 -1.304110e-05 1.117535e-02 1.035045e-02 0.000485 0.000060 True native_MD 7 282 309 + CB_AB42_32 C_AB42_35 1 0.000000e+00 1.304103e-05 ; 3.489563e-01 -1.304103e-05 1.117535e-02 1.035045e-02 0.000485 0.000060 True native_MD 7 282 309 CB_AB42_32 O_AB42_35 1 1.234638e-03 4.043839e-06 ; 3.853680e-01 9.423789e-02 1.309813e-02 1.556318e-02 0.000485 0.001191 True native_MD 7 282 310 - CB_AB42_32 N_AB42_36 1 0.000000e+00 7.499018e-06 ; 3.332310e-01 -7.499018e-06 1.261596e-02 2.586009e-03 0.000485 0.000060 True native_MD 7 282 311 + CB_AB42_32 N_AB42_36 1 0.000000e+00 7.499006e-06 ; 3.332309e-01 -7.499006e-06 1.261596e-02 2.586009e-03 0.000485 0.000060 True native_MD 7 282 311 CB_AB42_32 CA_AB42_36 1 1.250549e-02 2.139126e-04 ; 5.076011e-01 1.827702e-01 3.015198e-01 1.877604e-02 0.000485 0.000883 True native_MD 7 282 313 CB_AB42_32 CB_AB42_36 1 3.686659e-03 1.904445e-05 ; 4.157726e-01 1.784175e-01 4.802091e-01 3.406344e-02 0.000485 0.000883 True native_MD 7 282 314 CB_AB42_32 CG1_AB42_36 1 2.532850e-03 7.843602e-06 ; 3.817840e-01 2.044765e-01 3.198812e-01 2.277733e-02 0.000485 0.001932 True native_MD 7 282 315 @@ -48612,25 +48612,25 @@ CG2_AB42_31 O2_AB42_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465 CB_AB42_32 O_AB42_36 1 1.222664e-03 2.570125e-06 ; 3.579105e-01 1.454120e-01 2.731658e-02 7.018141e-03 0.000485 0.001191 True native_MD 7 282 318 CB_AB42_32 N_AB42_37 1 3.530027e-03 2.128376e-05 ; 4.266238e-01 1.463685e-01 1.822375e-01 2.282101e-03 0.000485 0.000060 True native_MD 7 282 319 CB_AB42_32 CA_AB42_37 1 5.076770e-03 3.423310e-05 ; 4.346534e-01 1.882213e-01 2.504603e-01 1.532501e-02 0.000485 0.001021 True native_MD 7 282 321 - CB_AB42_32 C_AB42_37 1 0.000000e+00 1.278817e-05 ; 3.483874e-01 -1.278817e-05 2.659180e-02 6.388463e-03 0.000485 0.000060 True native_MD 7 282 322 + CB_AB42_32 C_AB42_37 1 0.000000e+00 1.278811e-05 ; 3.483872e-01 -1.278811e-05 2.659180e-02 6.388463e-03 0.000485 0.000060 True native_MD 7 282 322 CB_AB42_32 O_AB42_37 1 1.387231e-03 4.259766e-06 ; 3.812467e-01 1.129411e-01 8.172224e-03 5.548169e-03 0.000485 0.001191 True native_MD 7 282 323 - CB_AB42_32 N_AB42_38 1 0.000000e+00 7.424952e-06 ; 3.329555e-01 -7.424952e-06 2.315590e-02 3.348305e-03 0.000485 0.000060 True native_MD 7 282 324 + CB_AB42_32 N_AB42_38 1 0.000000e+00 7.424941e-06 ; 3.329554e-01 -7.424941e-06 2.315590e-02 3.348305e-03 0.000485 0.000060 True native_MD 7 282 324 CB_AB42_32 CA_AB42_38 1 2.479263e-03 1.152923e-05 ; 4.085510e-01 1.332861e-01 4.987291e-02 1.579430e-02 0.000485 0.001021 True native_MD 7 282 326 - CB_AB42_32 C_AB42_38 1 0.000000e+00 1.281428e-05 ; 3.484466e-01 -1.281428e-05 2.215704e-02 3.953820e-03 0.000485 0.000060 True native_MD 7 282 327 + CB_AB42_32 C_AB42_38 1 0.000000e+00 1.281421e-05 ; 3.484464e-01 -1.281421e-05 2.215704e-02 3.953820e-03 0.000485 0.000060 True native_MD 7 282 327 CB_AB42_32 O_AB42_38 1 9.282338e-04 1.459121e-06 ; 3.409879e-01 1.476262e-01 1.461839e-02 3.514946e-03 0.000485 0.001191 True native_MD 7 282 328 CB_AB42_32 N_AB42_39 1 1.503197e-03 6.366036e-06 ; 4.022310e-01 8.873664e-02 1.348626e-02 9.475695e-04 0.000485 0.000060 True native_MD 7 282 329 CB_AB42_32 CA_AB42_39 1 5.082527e-03 4.684750e-05 ; 4.578970e-01 1.378519e-01 2.675150e-02 6.388867e-03 0.000485 0.000883 True native_MD 7 282 331 CB_AB42_32 CB_AB42_39 1 3.881759e-03 3.168354e-05 ; 4.487118e-01 1.188950e-01 3.546678e-02 1.493740e-02 0.000485 0.000883 True native_MD 7 282 332 CB_AB42_32 CG1_AB42_39 1 2.044224e-03 7.416464e-06 ; 3.919928e-01 1.408641e-01 2.667285e-02 1.274481e-02 0.000485 0.001932 True native_MD 7 282 333 CB_AB42_32 CG2_AB42_39 1 1.996928e-03 7.013475e-06 ; 3.898778e-01 1.421450e-01 2.747958e-02 1.263649e-02 0.000485 0.001932 True native_MD 7 282 334 - CB_AB42_32 C_AB42_39 1 0.000000e+00 1.297515e-05 ; 3.488090e-01 -1.297515e-05 6.893196e-03 1.015254e-03 0.000485 0.000060 True native_MD 7 282 335 + CB_AB42_32 C_AB42_39 1 0.000000e+00 1.297508e-05 ; 3.488089e-01 -1.297508e-05 6.893196e-03 1.015254e-03 0.000485 0.000060 True native_MD 7 282 335 CB_AB42_32 O_AB42_39 1 6.040119e-04 6.239590e-07 ; 3.179448e-01 1.461756e-01 6.041550e-03 1.517121e-03 0.000485 0.001191 True native_MD 7 282 336 CB_AB42_32 N_AB42_40 1 1.680560e-03 9.773728e-06 ; 4.240669e-01 7.224167e-02 2.375164e-03 2.733964e-04 0.000485 0.000060 True native_MD 7 282 337 CB_AB42_32 CA_AB42_40 1 7.564385e-03 9.811373e-05 ; 4.847220e-01 1.458000e-01 1.712941e-02 3.224929e-03 0.000485 0.000883 True native_MD 7 282 339 CB_AB42_32 CB_AB42_40 1 4.945214e-03 4.219569e-05 ; 4.520438e-01 1.448912e-01 3.854093e-02 7.456088e-03 0.000485 0.000883 True native_MD 7 282 340 CB_AB42_32 CG1_AB42_40 1 2.969034e-03 1.312488e-05 ; 4.051166e-01 1.679094e-01 3.293706e-02 7.005670e-03 0.000485 0.001932 True native_MD 7 282 341 CB_AB42_32 CG2_AB42_40 1 3.148552e-03 1.477486e-05 ; 4.091684e-01 1.677407e-01 3.236556e-02 6.918967e-03 0.000485 0.001932 True native_MD 7 282 342 - CB_AB42_32 C_AB42_40 1 0.000000e+00 1.302151e-05 ; 3.489127e-01 -1.302151e-05 2.703108e-03 3.775613e-04 0.000485 0.000060 True native_MD 7 282 343 + CB_AB42_32 C_AB42_40 1 0.000000e+00 1.302144e-05 ; 3.489126e-01 -1.302144e-05 2.703108e-03 3.775613e-04 0.000485 0.000060 True native_MD 7 282 343 CB_AB42_32 O_AB42_40 1 9.845987e-04 1.959460e-06 ; 3.546605e-01 1.236864e-01 2.418770e-03 9.388541e-04 0.000485 0.001191 True native_MD 7 282 344 CB_AB42_32 N_AB42_41 1 3.167275e-03 2.391755e-05 ; 4.429335e-01 1.048564e-01 1.485586e-03 6.443393e-05 0.000485 0.000060 True native_MD 7 282 345 CB_AB42_32 CA_AB42_41 1 9.926311e-03 1.673577e-04 ; 5.063797e-01 1.471872e-01 1.246086e-02 2.250589e-03 0.000485 0.000883 True native_MD 7 282 347 @@ -48643,32 +48643,32 @@ CG2_AB42_31 O2_AB42_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465 CB_AB42_32 N_AB42_42 1 2.140173e-03 1.204418e-05 ; 4.217497e-01 9.507369e-02 4.660053e-03 2.708631e-04 0.000485 0.000060 True native_MD 7 282 354 CB_AB42_32 CA_AB42_42 1 2.726136e-03 1.317981e-05 ; 4.112068e-01 1.409698e-01 1.717072e-02 3.735452e-03 0.000485 0.000883 True native_MD 7 282 356 CB_AB42_32 CB_AB42_42 1 2.293920e-03 8.240197e-06 ; 3.913451e-01 1.596464e-01 1.409710e-02 3.839606e-03 0.000485 0.001932 True native_MD 7 282 357 - CB_AB42_32 C_AB42_42 1 0.000000e+00 1.300918e-05 ; 3.488852e-01 -1.300918e-05 4.436195e-03 1.166145e-03 0.000485 0.000060 True native_MD 7 282 358 - CB_AB42_32 O1_AB42_42 1 0.000000e+00 3.358898e-06 ; 3.116579e-01 -3.358898e-06 1.765668e-03 7.808862e-04 0.000485 0.000060 True native_MD 7 282 359 - CB_AB42_32 O2_AB42_42 1 0.000000e+00 3.358898e-06 ; 3.116579e-01 -3.358898e-06 1.765668e-03 7.808862e-04 0.000485 0.000060 True native_MD 7 282 360 -CG1_AB42_32 C_AB42_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 283 286 -CG1_AB42_32 O_AB42_32 1 0.000000e+00 1.960527e-06 ; 2.979839e-01 -1.960527e-06 9.883115e-01 9.609611e-01 0.000485 0.000060 True native_MD 4 283 287 -CG1_AB42_32 N_AB42_33 1 0.000000e+00 3.654781e-06 ; 3.138582e-01 -3.654781e-06 9.979100e-01 9.921156e-01 0.000485 0.000060 True native_MD 4 283 288 -CG1_AB42_32 CA_AB42_33 1 0.000000e+00 1.424962e-05 ; 3.515431e-01 -1.424962e-05 6.289536e-01 5.519221e-01 0.000485 0.000060 True native_MD 5 283 290 -CG1_AB42_32 C_AB42_33 1 0.000000e+00 5.804823e-06 ; 3.261951e-01 -5.804823e-06 2.405379e-01 1.569981e-01 0.000485 0.000060 True native_MD 6 283 291 + CB_AB42_32 C_AB42_42 1 0.000000e+00 1.300912e-05 ; 3.488850e-01 -1.300912e-05 4.436195e-03 1.166145e-03 0.000485 0.000060 True native_MD 7 282 358 + CB_AB42_32 O1_AB42_42 1 0.000000e+00 3.358926e-06 ; 3.116581e-01 -3.358926e-06 1.765668e-03 7.808862e-04 0.000485 0.000060 True native_MD 7 282 359 + CB_AB42_32 O2_AB42_42 1 0.000000e+00 3.358926e-06 ; 3.116581e-01 -3.358926e-06 1.765668e-03 7.808862e-04 0.000485 0.000060 True native_MD 7 282 360 +CG1_AB42_32 C_AB42_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 283 286 +CG1_AB42_32 O_AB42_32 1 0.000000e+00 1.960520e-06 ; 2.979838e-01 -1.960520e-06 9.883115e-01 9.609611e-01 0.000485 0.000060 True native_MD 4 283 287 +CG1_AB42_32 N_AB42_33 1 0.000000e+00 3.654733e-06 ; 3.138578e-01 -3.654733e-06 9.979100e-01 9.921156e-01 0.000485 0.000060 True native_MD 4 283 288 +CG1_AB42_32 CA_AB42_33 1 0.000000e+00 1.424939e-05 ; 3.515427e-01 -1.424939e-05 6.289536e-01 5.519221e-01 0.000485 0.000060 True native_MD 5 283 290 +CG1_AB42_32 C_AB42_33 1 0.000000e+00 5.804726e-06 ; 3.261946e-01 -5.804726e-06 2.405379e-01 1.569981e-01 0.000485 0.000060 True native_MD 6 283 291 CG1_AB42_32 O_AB42_33 1 1.002540e-03 1.639291e-06 ; 3.432357e-01 1.532806e-01 2.324938e-01 4.719983e-02 0.000485 0.001191 True native_MD 7 283 292 -CG1_AB42_32 N_AB42_34 1 0.000000e+00 4.156798e-06 ; 3.172427e-01 -4.156798e-06 2.443794e-02 1.552066e-01 0.000485 0.000060 True native_MD 7 283 293 -CG1_AB42_32 CA_AB42_34 1 0.000000e+00 3.647395e-05 ; 3.801838e-01 -3.647395e-05 3.111148e-02 1.775988e-01 0.000485 0.001021 True native_MD 7 283 295 -CG1_AB42_32 CB_AB42_34 1 0.000000e+00 1.737448e-05 ; 3.573998e-01 -1.737448e-05 2.238910e-02 1.477597e-01 0.000485 0.001190 True native_MD 7 283 296 -CG1_AB42_32 CG_AB42_34 1 0.000000e+00 3.603552e-05 ; 3.798008e-01 -3.603552e-05 2.287226e-02 1.555785e-01 0.000485 0.001021 True native_MD 7 283 297 -CG1_AB42_32 CD1_AB42_34 1 0.000000e+00 1.240070e-05 ; 3.474952e-01 -1.240070e-05 1.226557e-02 8.873322e-02 0.000485 0.002332 True native_MD 7 283 298 +CG1_AB42_32 N_AB42_34 1 0.000000e+00 4.156743e-06 ; 3.172423e-01 -4.156743e-06 2.443794e-02 1.552066e-01 0.000485 0.000060 True native_MD 7 283 293 +CG1_AB42_32 CA_AB42_34 1 0.000000e+00 3.647379e-05 ; 3.801836e-01 -3.647379e-05 3.111148e-02 1.775988e-01 0.000485 0.001021 True native_MD 7 283 295 +CG1_AB42_32 CB_AB42_34 1 0.000000e+00 1.737421e-05 ; 3.573993e-01 -1.737421e-05 2.238910e-02 1.477597e-01 0.000485 0.001190 True native_MD 7 283 296 +CG1_AB42_32 CG_AB42_34 1 0.000000e+00 3.603537e-05 ; 3.798007e-01 -3.603537e-05 2.287226e-02 1.555785e-01 0.000485 0.001021 True native_MD 7 283 297 +CG1_AB42_32 CD1_AB42_34 1 0.000000e+00 1.240055e-05 ; 3.474949e-01 -1.240055e-05 1.226557e-02 8.873322e-02 0.000485 0.002332 True native_MD 7 283 298 CG1_AB42_32 CD2_AB42_34 1 8.960294e-04 2.406318e-06 ; 3.728251e-01 8.341258e-02 1.140502e-02 3.669883e-02 0.000485 0.002332 True native_MD 7 283 299 -CG1_AB42_32 C_AB42_34 1 0.000000e+00 6.642204e-06 ; 3.298788e-01 -6.642204e-06 1.359725e-02 6.226235e-02 0.000485 0.000060 True native_MD 7 283 300 -CG1_AB42_32 O_AB42_34 1 0.000000e+00 2.112860e-06 ; 2.998478e-01 -2.112860e-06 9.640010e-03 5.786435e-02 0.000485 0.001191 True native_MD 7 283 301 -CG1_AB42_32 N_AB42_35 1 0.000000e+00 3.756940e-06 ; 3.145801e-01 -3.756940e-06 6.738062e-03 2.873389e-02 0.000485 0.000060 True native_MD 7 283 302 +CG1_AB42_32 C_AB42_34 1 0.000000e+00 6.642092e-06 ; 3.298783e-01 -6.642092e-06 1.359725e-02 6.226235e-02 0.000485 0.000060 True native_MD 7 283 300 +CG1_AB42_32 O_AB42_34 1 0.000000e+00 2.112852e-06 ; 2.998477e-01 -2.112852e-06 9.640010e-03 5.786435e-02 0.000485 0.001191 True native_MD 7 283 301 +CG1_AB42_32 N_AB42_35 1 0.000000e+00 3.756891e-06 ; 3.145797e-01 -3.756891e-06 6.738062e-03 2.873389e-02 0.000485 0.000060 True native_MD 7 283 302 CG1_AB42_32 CA_AB42_35 1 4.712847e-03 5.209691e-05 ; 4.719777e-01 1.065847e-01 7.714041e-02 5.431848e-02 0.000485 0.001021 True native_MD 7 283 304 CG1_AB42_32 CB_AB42_35 1 3.006651e-03 1.652860e-05 ; 4.201060e-01 1.367319e-01 1.328623e-01 4.424765e-02 0.000485 0.001190 True native_MD 7 283 305 CG1_AB42_32 CG_AB42_35 1 2.328101e-03 1.070083e-05 ; 4.077581e-01 1.266269e-01 1.142351e-01 5.147768e-02 0.000485 0.001190 True native_MD 7 283 306 -CG1_AB42_32 SD_AB42_35 1 0.000000e+00 6.000453e-06 ; 3.270973e-01 -6.000453e-06 1.036107e-01 2.888029e-02 0.000485 0.000060 True native_MD 7 283 307 +CG1_AB42_32 SD_AB42_35 1 0.000000e+00 6.000443e-06 ; 3.270973e-01 -6.000443e-06 1.036107e-01 2.888029e-02 0.000485 0.000060 True native_MD 7 283 307 CG1_AB42_32 CE_AB42_35 1 2.090197e-03 6.993619e-06 ; 3.867400e-01 1.561754e-01 1.117921e-01 4.076558e-02 0.000485 0.002332 True native_MD 7 283 308 -CG1_AB42_32 C_AB42_35 1 0.000000e+00 6.356828e-06 ; 3.286738e-01 -6.356828e-06 4.720112e-03 8.330349e-03 0.000485 0.000060 True native_MD 7 283 309 +CG1_AB42_32 C_AB42_35 1 0.000000e+00 6.356721e-06 ; 3.286733e-01 -6.356721e-06 4.720112e-03 8.330349e-03 0.000485 0.000060 True native_MD 7 283 309 CG1_AB42_32 O_AB42_35 1 5.673044e-04 1.062977e-06 ; 3.511165e-01 7.569172e-02 4.678351e-03 9.683208e-03 0.000485 0.001191 True native_MD 7 283 310 -CG1_AB42_32 N_AB42_36 1 0.000000e+00 3.629741e-06 ; 3.136784e-01 -3.629741e-06 1.488723e-02 2.281340e-03 0.000485 0.000060 True native_MD 7 283 311 +CG1_AB42_32 N_AB42_36 1 0.000000e+00 3.629694e-06 ; 3.136781e-01 -3.629694e-06 1.488723e-02 2.281340e-03 0.000485 0.000060 True native_MD 7 283 311 CG1_AB42_32 CA_AB42_36 1 7.612778e-03 7.368975e-05 ; 4.616477e-01 1.966162e-01 2.526864e-01 1.202647e-02 0.000485 0.001021 True native_MD 7 283 313 CG1_AB42_32 CB_AB42_36 1 2.617563e-03 8.985105e-06 ; 3.883926e-01 1.906388e-01 3.508414e-01 1.996886e-02 0.000485 0.001021 True native_MD 7 283 314 CG1_AB42_32 CG1_AB42_36 1 1.863269e-03 4.054285e-06 ; 3.599756e-01 2.140804e-01 2.539849e-01 1.637263e-02 0.000485 0.002332 True native_MD 7 283 315 @@ -48679,61 +48679,61 @@ CG1_AB42_32 N_AB42_37 1 1.027868e-03 1.906476e-06 ; 3.505223e-01 1.385426 CG1_AB42_32 CA_AB42_37 1 1.663546e-03 3.571229e-06 ; 3.591676e-01 1.937278e-01 1.977655e-01 1.196418e-02 0.000485 0.001190 True native_MD 7 283 321 CG1_AB42_32 C_AB42_37 1 1.084004e-03 4.157955e-06 ; 3.956472e-01 7.065165e-02 4.493081e-02 5.423859e-03 0.000485 0.000060 True native_MD 7 283 322 CG1_AB42_32 O_AB42_37 1 5.655748e-04 6.652781e-07 ; 3.249019e-01 1.202035e-01 8.474047e-03 4.629277e-03 0.000485 0.001191 True native_MD 7 283 323 -CG1_AB42_32 N_AB42_38 1 0.000000e+00 3.616762e-06 ; 3.135848e-01 -3.616762e-06 1.881898e-02 2.682256e-03 0.000485 0.000060 True native_MD 7 283 324 +CG1_AB42_32 N_AB42_38 1 0.000000e+00 3.616714e-06 ; 3.135844e-01 -3.616714e-06 1.881898e-02 2.682256e-03 0.000485 0.000060 True native_MD 7 283 324 CG1_AB42_32 CA_AB42_38 1 1.567786e-03 4.461768e-06 ; 3.764466e-01 1.377231e-01 3.463417e-02 1.119725e-02 0.000485 0.001190 True native_MD 7 283 326 -CG1_AB42_32 C_AB42_38 1 0.000000e+00 6.251803e-06 ; 3.282178e-01 -6.251803e-06 1.595453e-02 2.983466e-03 0.000485 0.000060 True native_MD 7 283 327 +CG1_AB42_32 C_AB42_38 1 0.000000e+00 6.251698e-06 ; 3.282173e-01 -6.251698e-06 1.595453e-02 2.983466e-03 0.000485 0.000060 True native_MD 7 283 327 CG1_AB42_32 O_AB42_38 1 7.432049e-04 9.079772e-07 ; 3.269598e-01 1.520835e-01 1.205352e-02 2.536305e-03 0.000485 0.001191 True native_MD 7 283 328 CG1_AB42_32 N_AB42_39 1 7.253470e-04 1.844969e-06 ; 3.694655e-01 7.129227e-02 7.699857e-03 9.118445e-04 0.000485 0.000060 True native_MD 7 283 329 CG1_AB42_32 CA_AB42_39 1 3.900518e-03 2.663254e-05 ; 4.355604e-01 1.428144e-01 1.826073e-02 4.348282e-03 0.000485 0.001021 True native_MD 7 283 331 CG1_AB42_32 CB_AB42_39 1 2.501952e-03 1.244556e-05 ; 4.131641e-01 1.257429e-01 2.584406e-02 1.025729e-02 0.000485 0.001021 True native_MD 7 283 332 CG1_AB42_32 CG1_AB42_39 1 1.396293e-03 3.307592e-06 ; 3.651090e-01 1.473606e-01 2.013477e-02 9.558538e-03 0.000485 0.002332 True native_MD 7 283 333 CG1_AB42_32 CG2_AB42_39 1 1.317523e-03 2.887806e-06 ; 3.604140e-01 1.502757e-01 2.053693e-02 8.934996e-03 0.000485 0.002332 True native_MD 7 283 334 -CG1_AB42_32 C_AB42_39 1 0.000000e+00 6.317100e-06 ; 3.285021e-01 -6.317100e-06 3.819137e-03 1.157098e-03 0.000485 0.000060 True native_MD 7 283 335 +CG1_AB42_32 C_AB42_39 1 0.000000e+00 6.316994e-06 ; 3.285016e-01 -6.316994e-06 3.819137e-03 1.157098e-03 0.000485 0.000060 True native_MD 7 283 335 CG1_AB42_32 O_AB42_39 1 7.137713e-04 9.791727e-07 ; 3.333369e-01 1.300765e-01 3.761684e-03 1.529283e-03 0.000485 0.001191 True native_MD 7 283 336 -CG1_AB42_32 N_AB42_40 1 0.000000e+00 3.669661e-06 ; 3.139645e-01 -3.669661e-06 2.121686e-03 3.750604e-04 0.000485 0.000060 True native_MD 7 283 337 +CG1_AB42_32 N_AB42_40 1 0.000000e+00 3.669613e-06 ; 3.139641e-01 -3.669613e-06 2.121686e-03 3.750604e-04 0.000485 0.000060 True native_MD 7 283 337 CG1_AB42_32 CA_AB42_40 1 3.723501e-03 2.411883e-05 ; 4.317518e-01 1.437099e-01 1.503506e-02 3.485517e-03 0.000485 0.001021 True native_MD 7 283 339 CG1_AB42_32 CB_AB42_40 1 2.316529e-03 9.201091e-06 ; 3.979547e-01 1.458063e-01 3.037852e-02 6.614274e-03 0.000485 0.001021 True native_MD 7 283 340 CG1_AB42_32 CG1_AB42_40 1 1.558259e-03 3.485965e-06 ; 3.616434e-01 1.741391e-01 2.849385e-02 6.069662e-03 0.000485 0.002332 True native_MD 7 283 341 CG1_AB42_32 CG2_AB42_40 1 1.748207e-03 4.367630e-06 ; 3.683626e-01 1.749363e-01 2.674243e-02 5.562290e-03 0.000485 0.002332 True native_MD 7 283 342 -CG1_AB42_32 C_AB42_40 1 0.000000e+00 6.317713e-06 ; 3.285048e-01 -6.317713e-06 3.011317e-03 4.461329e-04 0.000485 0.000060 True native_MD 7 283 343 +CG1_AB42_32 C_AB42_40 1 0.000000e+00 6.317607e-06 ; 3.285043e-01 -6.317607e-06 3.011317e-03 4.461329e-04 0.000485 0.000060 True native_MD 7 283 343 CG1_AB42_32 O_AB42_40 1 6.038957e-04 7.490225e-07 ; 3.277848e-01 1.217220e-01 2.280677e-03 9.026642e-04 0.000485 0.001191 True native_MD 7 283 344 -CG1_AB42_32 N_AB42_41 1 0.000000e+00 3.672748e-06 ; 3.139865e-01 -3.672748e-06 1.128956e-03 2.222011e-04 0.000485 0.000060 True native_MD 7 283 345 +CG1_AB42_32 N_AB42_41 1 0.000000e+00 3.672700e-06 ; 3.139861e-01 -3.672700e-06 1.128956e-03 2.222011e-04 0.000485 0.000060 True native_MD 7 283 345 CG1_AB42_32 CA_AB42_41 1 4.964000e-03 4.692256e-05 ; 4.598240e-01 1.312871e-01 7.183053e-03 2.415049e-03 0.000485 0.001021 True native_MD 7 283 347 CG1_AB42_32 CB_AB42_41 1 3.248024e-03 2.049453e-05 ; 4.298693e-01 1.286887e-01 1.362981e-02 4.953091e-03 0.000485 0.001021 True native_MD 7 283 348 CG1_AB42_32 CG1_AB42_41 1 1.978421e-03 7.368319e-06 ; 3.937086e-01 1.328034e-01 1.184665e-02 4.437534e-03 0.000485 0.001190 True native_MD 7 283 349 CG1_AB42_32 CG2_AB42_41 1 2.119055e-03 7.002431e-06 ; 3.859382e-01 1.603155e-01 1.261921e-02 4.065435e-03 0.000485 0.002332 True native_MD 7 283 350 CG1_AB42_32 CD_AB42_41 1 1.596883e-03 4.397278e-06 ; 3.743850e-01 1.449780e-01 1.447121e-02 7.377612e-03 0.000485 0.002332 True native_MD 7 283 351 -CG1_AB42_32 C_AB42_41 1 0.000000e+00 6.310561e-06 ; 3.284737e-01 -6.310561e-06 4.229572e-03 5.352199e-04 0.000485 0.000060 True native_MD 7 283 352 +CG1_AB42_32 C_AB42_41 1 0.000000e+00 6.310455e-06 ; 3.284733e-01 -6.310455e-06 4.229572e-03 5.352199e-04 0.000485 0.000060 True native_MD 7 283 352 CG1_AB42_32 O_AB42_41 1 7.064611e-04 8.630589e-07 ; 3.269580e-01 1.445693e-01 4.518585e-03 9.511901e-04 0.000485 0.001191 True native_MD 7 283 353 CG1_AB42_32 N_AB42_42 1 1.041192e-03 3.373978e-06 ; 3.846820e-01 8.032656e-02 2.709645e-03 2.448696e-04 0.000485 0.000060 True native_MD 7 283 354 CG1_AB42_32 CA_AB42_42 1 2.700976e-03 1.259382e-05 ; 4.087328e-01 1.448185e-01 1.430523e-02 3.208100e-03 0.000485 0.001021 True native_MD 7 283 356 CG1_AB42_32 CB_AB42_42 1 1.557244e-03 3.706500e-06 ; 3.653994e-01 1.635647e-01 1.146700e-02 3.351939e-03 0.000485 0.002332 True native_MD 7 283 357 -CG1_AB42_32 C_AB42_42 1 0.000000e+00 6.323707e-06 ; 3.285307e-01 -6.323707e-06 2.753235e-03 1.134317e-03 0.000485 0.000060 True native_MD 7 283 358 -CG1_AB42_32 O1_AB42_42 1 0.000000e+00 1.631384e-06 ; 2.934549e-01 -1.631384e-06 9.884604e-04 8.239282e-04 0.000485 0.000060 True native_MD 7 283 359 -CG1_AB42_32 O2_AB42_42 1 0.000000e+00 1.631384e-06 ; 2.934549e-01 -1.631384e-06 9.884604e-04 8.239282e-04 0.000485 0.000060 True native_MD 7 283 360 -CG2_AB42_32 C_AB42_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 284 286 +CG1_AB42_32 C_AB42_42 1 0.000000e+00 6.323601e-06 ; 3.285303e-01 -6.323601e-06 2.753235e-03 1.134317e-03 0.000485 0.000060 True native_MD 7 283 358 +CG1_AB42_32 O1_AB42_42 1 0.000000e+00 1.631378e-06 ; 2.934548e-01 -1.631378e-06 9.884604e-04 8.239282e-04 0.000485 0.000060 True native_MD 7 283 359 +CG1_AB42_32 O2_AB42_42 1 0.000000e+00 1.631378e-06 ; 2.934548e-01 -1.631378e-06 9.884604e-04 8.239282e-04 0.000485 0.000060 True native_MD 7 283 360 +CG2_AB42_32 C_AB42_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 284 286 CG2_AB42_32 O_AB42_32 1 0.000000e+00 1.390752e-06 ; 2.895782e-01 -1.390752e-06 9.463603e-01 8.710674e-01 0.000485 0.000060 True native_MD 4 284 287 -CG2_AB42_32 N_AB42_33 1 0.000000e+00 2.681567e-06 ; 3.058633e-01 -2.681567e-06 9.926109e-01 9.702408e-01 0.000485 0.000060 True native_MD 4 284 288 -CG2_AB42_32 CA_AB42_33 1 0.000000e+00 1.031797e-05 ; 3.422114e-01 -1.031797e-05 6.973291e-01 5.930010e-01 0.000485 0.000060 True native_MD 5 284 290 -CG2_AB42_32 C_AB42_33 1 0.000000e+00 4.664335e-06 ; 3.203029e-01 -4.664335e-06 2.294133e-01 2.163411e-01 0.000485 0.000060 True native_MD 6 284 291 +CG2_AB42_32 N_AB42_33 1 0.000000e+00 2.681541e-06 ; 3.058631e-01 -2.681541e-06 9.926109e-01 9.702408e-01 0.000485 0.000060 True native_MD 4 284 288 +CG2_AB42_32 CA_AB42_33 1 0.000000e+00 1.031784e-05 ; 3.422111e-01 -1.031784e-05 6.973291e-01 5.930010e-01 0.000485 0.000060 True native_MD 5 284 290 +CG2_AB42_32 C_AB42_33 1 0.000000e+00 4.664274e-06 ; 3.203025e-01 -4.664274e-06 2.294133e-01 2.163411e-01 0.000485 0.000060 True native_MD 6 284 291 CG2_AB42_32 O_AB42_33 1 7.043264e-04 8.509294e-07 ; 3.263522e-01 1.457453e-01 2.238342e-01 5.693648e-02 0.000485 0.001191 True native_MD 7 284 292 -CG2_AB42_32 N_AB42_34 1 0.000000e+00 3.223423e-06 ; 3.105905e-01 -3.223423e-06 2.328101e-02 1.984577e-01 0.000485 0.000060 True native_MD 7 284 293 -CG2_AB42_32 CA_AB42_34 1 0.000000e+00 2.809706e-05 ; 3.720061e-01 -2.809706e-05 3.364709e-02 2.172835e-01 0.000485 0.001932 True native_MD 7 284 295 -CG2_AB42_32 CB_AB42_34 1 0.000000e+00 1.351683e-05 ; 3.499999e-01 -1.351683e-05 1.895579e-02 1.923107e-01 0.000485 0.002332 True native_MD 7 284 296 -CG2_AB42_32 CG_AB42_34 1 0.000000e+00 2.815690e-05 ; 3.720721e-01 -2.815690e-05 1.605616e-02 2.022134e-01 0.000485 0.001932 True native_MD 7 284 297 -CG2_AB42_32 CD1_AB42_34 1 0.000000e+00 9.617839e-06 ; 3.402134e-01 -9.617839e-06 7.566298e-03 1.264971e-01 0.000485 0.005315 True native_MD 7 284 298 +CG2_AB42_32 N_AB42_34 1 0.000000e+00 3.223392e-06 ; 3.105902e-01 -3.223392e-06 2.328101e-02 1.984577e-01 0.000485 0.000060 True native_MD 7 284 293 +CG2_AB42_32 CA_AB42_34 1 0.000000e+00 2.809704e-05 ; 3.720061e-01 -2.809704e-05 3.364709e-02 2.172835e-01 0.000485 0.001932 True native_MD 7 284 295 +CG2_AB42_32 CB_AB42_34 1 0.000000e+00 1.351666e-05 ; 3.499995e-01 -1.351666e-05 1.895579e-02 1.923107e-01 0.000485 0.002332 True native_MD 7 284 296 +CG2_AB42_32 CG_AB42_34 1 0.000000e+00 2.815688e-05 ; 3.720720e-01 -2.815688e-05 1.605616e-02 2.022134e-01 0.000485 0.001932 True native_MD 7 284 297 +CG2_AB42_32 CD1_AB42_34 1 0.000000e+00 9.617758e-06 ; 3.402132e-01 -9.617758e-06 7.566298e-03 1.264971e-01 0.000485 0.005315 True native_MD 7 284 298 CG2_AB42_32 CD2_AB42_34 1 5.004940e-04 8.027372e-07 ; 3.421336e-01 7.801254e-02 6.466074e-03 5.573478e-02 0.000485 0.005315 True native_MD 7 284 299 -CG2_AB42_32 C_AB42_34 1 0.000000e+00 5.038159e-06 ; 3.223673e-01 -5.038159e-06 1.652612e-02 8.255137e-02 0.000485 0.000060 True native_MD 7 284 300 +CG2_AB42_32 C_AB42_34 1 0.000000e+00 5.038093e-06 ; 3.223670e-01 -5.038093e-06 1.652612e-02 8.255137e-02 0.000485 0.000060 True native_MD 7 284 300 CG2_AB42_32 O_AB42_34 1 0.000000e+00 1.581687e-06 ; 2.926993e-01 -1.581687e-06 1.217342e-02 6.383288e-02 0.000485 0.001191 True native_MD 7 284 301 -CG2_AB42_32 N_AB42_35 1 0.000000e+00 2.825920e-06 ; 3.072027e-01 -2.825920e-06 1.065184e-02 4.090922e-02 0.000485 0.000060 True native_MD 7 284 302 +CG2_AB42_32 N_AB42_35 1 0.000000e+00 2.825893e-06 ; 3.072024e-01 -2.825893e-06 1.065184e-02 4.090922e-02 0.000485 0.000060 True native_MD 7 284 302 CG2_AB42_32 CA_AB42_35 1 1.809243e-03 8.004043e-06 ; 4.051683e-01 1.022408e-01 4.060695e-02 6.163650e-02 0.000485 0.001932 True native_MD 7 284 304 CG2_AB42_32 CB_AB42_35 1 2.416414e-03 9.528292e-06 ; 3.974727e-01 1.532031e-01 1.149293e-01 4.580812e-02 0.000485 0.002332 True native_MD 7 284 305 CG2_AB42_32 CG_AB42_35 1 2.084306e-03 7.467405e-06 ; 3.911722e-01 1.454432e-01 1.068863e-01 5.373873e-02 0.000485 0.002332 True native_MD 7 284 306 -CG2_AB42_32 SD_AB42_35 1 0.000000e+00 4.520524e-06 ; 3.194680e-01 -4.520524e-06 9.676030e-02 3.096941e-02 0.000485 0.000060 True native_MD 7 284 307 +CG2_AB42_32 SD_AB42_35 1 0.000000e+00 4.520533e-06 ; 3.194681e-01 -4.520533e-06 9.676030e-02 3.096941e-02 0.000485 0.000060 True native_MD 7 284 307 CG2_AB42_32 CE_AB42_35 1 1.594272e-03 3.530152e-06 ; 3.610260e-01 1.799995e-01 1.049901e-01 4.277036e-02 0.000485 0.005315 True native_MD 7 284 308 -CG2_AB42_32 C_AB42_35 1 0.000000e+00 4.756794e-06 ; 3.208272e-01 -4.756794e-06 4.319844e-03 1.081117e-02 0.000485 0.000060 True native_MD 7 284 309 +CG2_AB42_32 C_AB42_35 1 0.000000e+00 4.756732e-06 ; 3.208269e-01 -4.756732e-06 4.319844e-03 1.081117e-02 0.000485 0.000060 True native_MD 7 284 309 CG2_AB42_32 O_AB42_35 1 3.546613e-04 4.120484e-07 ; 3.242319e-01 7.631667e-02 5.334587e-03 1.083690e-02 0.000485 0.001191 True native_MD 7 284 310 -CG2_AB42_32 N_AB42_36 1 0.000000e+00 2.724245e-06 ; 3.062660e-01 -2.724245e-06 1.175780e-02 4.947180e-03 0.000485 0.000060 True native_MD 7 284 311 +CG2_AB42_32 N_AB42_36 1 0.000000e+00 2.724219e-06 ; 3.062658e-01 -2.724219e-06 1.175780e-02 4.947180e-03 0.000485 0.000060 True native_MD 7 284 311 CG2_AB42_32 CA_AB42_36 1 5.063172e-03 3.323337e-05 ; 4.327051e-01 1.928461e-01 1.869583e-01 1.885454e-02 0.000485 0.001932 True native_MD 7 284 313 CG2_AB42_32 CB_AB42_36 1 2.162063e-03 5.876155e-06 ; 3.735690e-01 1.988766e-01 3.348746e-01 2.819535e-02 0.000485 0.001932 True native_MD 7 284 314 CG2_AB42_32 CG1_AB42_36 1 1.633146e-03 2.865100e-06 ; 3.472848e-01 2.327290e-01 2.335401e-01 1.963580e-02 0.000485 0.005315 True native_MD 7 284 315 @@ -48744,61 +48744,61 @@ CG2_AB42_32 N_AB42_37 1 5.634027e-04 6.945017e-07 ; 3.274480e-01 1.142627 CG2_AB42_32 CA_AB42_37 1 1.219602e-03 1.824535e-06 ; 3.381860e-01 2.038093e-01 1.649201e-01 1.445685e-02 0.000485 0.002332 True native_MD 7 284 321 CG2_AB42_32 C_AB42_37 1 7.971195e-04 2.185333e-06 ; 3.741098e-01 7.268910e-02 6.218826e-02 7.063053e-03 0.000485 0.000060 True native_MD 7 284 322 CG2_AB42_32 O_AB42_37 1 4.843932e-04 4.737360e-07 ; 3.150574e-01 1.238226e-01 1.101600e-02 5.400202e-03 0.000485 0.001191 True native_MD 7 284 323 -CG2_AB42_32 N_AB42_38 1 0.000000e+00 2.681263e-06 ; 3.058604e-01 -2.681263e-06 2.667057e-02 4.189629e-03 0.000485 0.000060 True native_MD 7 284 324 +CG2_AB42_32 N_AB42_38 1 0.000000e+00 2.681237e-06 ; 3.058602e-01 -2.681237e-06 2.667057e-02 4.189629e-03 0.000485 0.000060 True native_MD 7 284 324 CG2_AB42_32 CA_AB42_38 1 1.387088e-03 3.071435e-06 ; 3.610269e-01 1.566053e-01 3.507488e-02 1.262673e-02 0.000485 0.002332 True native_MD 7 284 326 -CG2_AB42_32 C_AB42_38 1 0.000000e+00 4.655072e-06 ; 3.202498e-01 -4.655072e-06 1.928167e-02 4.249549e-03 0.000485 0.000060 True native_MD 7 284 327 +CG2_AB42_32 C_AB42_38 1 0.000000e+00 4.655011e-06 ; 3.202495e-01 -4.655011e-06 1.928167e-02 4.249549e-03 0.000485 0.000060 True native_MD 7 284 327 CG2_AB42_32 O_AB42_38 1 3.917214e-04 2.628177e-07 ; 2.958782e-01 1.459620e-01 1.446514e-02 3.655692e-03 0.000485 0.001191 True native_MD 7 284 328 CG2_AB42_32 N_AB42_39 1 5.093002e-04 8.787644e-07 ; 3.463244e-01 7.379303e-02 1.082658e-02 1.189674e-03 0.000485 0.000060 True native_MD 7 284 329 CG2_AB42_32 CA_AB42_39 1 2.858628e-03 1.306750e-05 ; 4.073857e-01 1.563374e-01 2.107596e-02 6.337964e-03 0.000485 0.001932 True native_MD 7 284 331 CG2_AB42_32 CB_AB42_39 1 2.261234e-03 8.860302e-06 ; 3.970548e-01 1.442721e-01 2.909065e-02 1.255232e-02 0.000485 0.001932 True native_MD 7 284 332 CG2_AB42_32 CG1_AB42_39 1 1.349745e-03 2.602434e-06 ; 3.527941e-01 1.750104e-01 2.245928e-02 1.062266e-02 0.000485 0.005315 True native_MD 7 284 333 CG2_AB42_32 CG2_AB42_39 1 1.365290e-03 2.731566e-06 ; 3.549750e-01 1.705996e-01 2.086395e-02 1.126054e-02 0.000485 0.005315 True native_MD 7 284 334 -CG2_AB42_32 C_AB42_39 1 0.000000e+00 4.702082e-06 ; 3.205181e-01 -4.702082e-06 6.350882e-03 1.265559e-03 0.000485 0.000060 True native_MD 7 284 335 +CG2_AB42_32 C_AB42_39 1 0.000000e+00 4.702020e-06 ; 3.205177e-01 -4.702020e-06 6.350882e-03 1.265559e-03 0.000485 0.000060 True native_MD 7 284 335 CG2_AB42_32 O_AB42_39 1 4.620792e-04 3.843624e-07 ; 3.066696e-01 1.388775e-01 5.892956e-03 1.841004e-03 0.000485 0.001191 True native_MD 7 284 336 CG2_AB42_32 N_AB42_40 1 1.080498e-03 2.930246e-06 ; 3.734336e-01 9.960566e-02 4.094109e-03 2.077868e-04 0.000485 0.000060 True native_MD 7 284 337 CG2_AB42_32 CA_AB42_40 1 2.712170e-03 1.100821e-05 ; 3.993926e-01 1.670540e-01 1.481815e-02 3.233523e-03 0.000485 0.001932 True native_MD 7 284 339 CG2_AB42_32 CB_AB42_40 1 2.562165e-03 9.875952e-06 ; 3.959697e-01 1.661786e-01 3.035550e-02 6.799817e-03 0.000485 0.001932 True native_MD 7 284 340 CG2_AB42_32 CG1_AB42_40 1 1.428954e-03 2.551579e-06 ; 3.483093e-01 2.000635e-01 2.505746e-02 5.599738e-03 0.000485 0.005315 True native_MD 7 284 341 CG2_AB42_32 CG2_AB42_40 1 1.468500e-03 2.730491e-06 ; 3.506666e-01 1.974455e-01 2.368795e-02 5.725092e-03 0.000485 0.005315 True native_MD 7 284 342 -CG2_AB42_32 C_AB42_40 1 0.000000e+00 4.712559e-06 ; 3.205775e-01 -4.712559e-06 3.650947e-03 7.824653e-04 0.000485 0.000060 True native_MD 7 284 343 +CG2_AB42_32 C_AB42_40 1 0.000000e+00 4.712497e-06 ; 3.205772e-01 -4.712497e-06 3.650947e-03 7.824653e-04 0.000485 0.000060 True native_MD 7 284 343 CG2_AB42_32 O_AB42_40 1 3.194855e-04 1.979548e-07 ; 2.919796e-01 1.289069e-01 2.827769e-03 1.083276e-03 0.000485 0.001191 True native_MD 7 284 344 -CG2_AB42_32 N_AB42_41 1 0.000000e+00 2.736720e-06 ; 3.063827e-01 -2.736720e-06 2.736873e-03 4.743449e-04 0.000485 0.000060 True native_MD 7 284 345 +CG2_AB42_32 N_AB42_41 1 0.000000e+00 2.736694e-06 ; 3.063824e-01 -2.736694e-06 2.736873e-03 4.743449e-04 0.000485 0.000060 True native_MD 7 284 345 CG2_AB42_32 CA_AB42_41 1 4.146699e-03 2.511771e-05 ; 4.269525e-01 1.711453e-01 1.311496e-02 2.532071e-03 0.000485 0.001932 True native_MD 7 284 347 CG2_AB42_32 CB_AB42_41 1 2.415959e-03 8.991998e-06 ; 3.936659e-01 1.622793e-01 1.908728e-02 4.804876e-03 0.000485 0.001932 True native_MD 7 284 348 CG2_AB42_32 CG1_AB42_41 1 1.648701e-03 4.145820e-06 ; 3.687608e-01 1.639130e-01 1.688399e-02 4.884205e-03 0.000485 0.002332 True native_MD 7 284 349 CG2_AB42_32 CG2_AB42_41 1 1.138292e-03 1.797665e-06 ; 3.412525e-01 1.801932e-01 1.312183e-02 3.507869e-03 0.000485 0.005315 True native_MD 7 284 350 CG2_AB42_32 CD_AB42_41 1 1.339537e-03 2.388097e-06 ; 3.482167e-01 1.878440e-01 1.898291e-02 6.115132e-03 0.000485 0.005315 True native_MD 7 284 351 -CG2_AB42_32 C_AB42_41 1 0.000000e+00 4.691461e-06 ; 3.204577e-01 -4.691461e-06 8.439899e-03 1.107255e-03 0.000485 0.000060 True native_MD 7 284 352 +CG2_AB42_32 C_AB42_41 1 0.000000e+00 4.691399e-06 ; 3.204573e-01 -4.691399e-06 8.439899e-03 1.107255e-03 0.000485 0.000060 True native_MD 7 284 352 CG2_AB42_32 O_AB42_41 1 6.713711e-04 6.620552e-07 ; 3.154922e-01 1.702045e-01 9.731382e-03 1.138487e-03 0.000485 0.001191 True native_MD 7 284 353 -CG2_AB42_32 N_AB42_42 1 0.000000e+00 2.732075e-06 ; 3.063393e-01 -2.732075e-06 4.602780e-03 6.469050e-04 0.000485 0.000060 True native_MD 7 284 354 +CG2_AB42_32 N_AB42_42 1 0.000000e+00 2.732050e-06 ; 3.063391e-01 -2.732050e-06 4.602780e-03 6.469050e-04 0.000485 0.000060 True native_MD 7 284 354 CG2_AB42_32 CA_AB42_42 1 1.994217e-03 6.083051e-06 ; 3.808245e-01 1.634419e-01 1.517478e-02 3.689348e-03 0.000485 0.001932 True native_MD 7 284 356 CG2_AB42_32 CB_AB42_42 1 1.387500e-03 2.705979e-06 ; 3.534667e-01 1.778614e-01 1.223740e-02 3.537483e-03 0.000485 0.005315 True native_MD 7 284 357 -CG2_AB42_32 C_AB42_42 1 0.000000e+00 4.705774e-06 ; 3.205390e-01 -4.705774e-06 5.543303e-03 1.239234e-03 0.000485 0.000060 True native_MD 7 284 358 -CG2_AB42_32 O1_AB42_42 1 0.000000e+00 1.215605e-06 ; 2.863482e-01 -1.215605e-06 2.106373e-03 5.787758e-04 0.000485 0.000060 True native_MD 7 284 359 -CG2_AB42_32 O2_AB42_42 1 0.000000e+00 1.215605e-06 ; 2.863482e-01 -1.215605e-06 2.106373e-03 5.787758e-04 0.000485 0.000060 True native_MD 7 284 360 - CD_AB42_32 C_AB42_32 1 0.000000e+00 4.545213e-06 ; 3.196131e-01 -4.545213e-06 9.816918e-01 9.434146e-01 0.000485 0.000060 True native_MD 4 285 286 +CG2_AB42_32 C_AB42_42 1 0.000000e+00 4.705713e-06 ; 3.205387e-01 -4.705713e-06 5.543303e-03 1.239234e-03 0.000485 0.000060 True native_MD 7 284 358 +CG2_AB42_32 O1_AB42_42 1 0.000000e+00 1.215606e-06 ; 2.863482e-01 -1.215606e-06 2.106373e-03 5.787758e-04 0.000485 0.000060 True native_MD 7 284 359 +CG2_AB42_32 O2_AB42_42 1 0.000000e+00 1.215606e-06 ; 2.863482e-01 -1.215606e-06 2.106373e-03 5.787758e-04 0.000485 0.000060 True native_MD 7 284 360 + CD_AB42_32 C_AB42_32 1 0.000000e+00 4.545154e-06 ; 3.196127e-01 -4.545154e-06 9.816918e-01 9.434146e-01 0.000485 0.000060 True native_MD 4 285 286 CD_AB42_32 O_AB42_32 1 0.000000e+00 1.346298e-06 ; 2.887953e-01 -1.346298e-06 3.167038e-01 2.118534e-01 0.000485 0.000060 True native_MD 5 285 287 - CD_AB42_32 N_AB42_33 1 0.000000e+00 2.467599e-06 ; 3.037511e-01 -2.467599e-06 3.341331e-01 2.337559e-01 0.000485 0.000060 True native_MD 5 285 288 - CD_AB42_32 CA_AB42_33 1 0.000000e+00 1.108035e-05 ; 3.442504e-01 -1.108035e-05 1.041114e-01 6.596317e-02 0.000485 0.000060 True native_MD 6 285 290 - CD_AB42_32 C_AB42_33 1 0.000000e+00 4.668612e-06 ; 3.203273e-01 -4.668612e-06 2.433273e-02 1.216555e-02 0.000485 0.000060 True native_MD 7 285 291 + CD_AB42_32 N_AB42_33 1 0.000000e+00 2.467576e-06 ; 3.037509e-01 -2.467576e-06 3.341331e-01 2.337559e-01 0.000485 0.000060 True native_MD 5 285 288 + CD_AB42_32 CA_AB42_33 1 0.000000e+00 1.108022e-05 ; 3.442501e-01 -1.108022e-05 1.041114e-01 6.596317e-02 0.000485 0.000060 True native_MD 6 285 290 + CD_AB42_32 C_AB42_33 1 0.000000e+00 4.668551e-06 ; 3.203270e-01 -4.668551e-06 2.433273e-02 1.216555e-02 0.000485 0.000060 True native_MD 7 285 291 CD_AB42_32 O_AB42_33 1 9.375129e-04 1.447589e-06 ; 3.399732e-01 1.517921e-01 7.313102e-02 1.552303e-02 0.000485 0.001191 True native_MD 7 285 292 - CD_AB42_32 N_AB42_34 1 0.000000e+00 2.869879e-06 ; 3.075981e-01 -2.869879e-06 1.342952e-02 5.971322e-02 0.000485 0.000060 True native_MD 7 285 293 - CD_AB42_32 CA_AB42_34 1 0.000000e+00 2.603200e-05 ; 3.696471e-01 -2.603200e-05 2.326667e-02 1.199089e-01 0.000485 0.001932 True native_MD 7 285 295 - CD_AB42_32 CB_AB42_34 1 0.000000e+00 1.272705e-05 ; 3.482483e-01 -1.272705e-05 1.943296e-02 1.242297e-01 0.000485 0.002332 True native_MD 7 285 296 - CD_AB42_32 CG_AB42_34 1 0.000000e+00 2.639047e-05 ; 3.700686e-01 -2.639047e-05 2.135108e-02 1.330947e-01 0.000485 0.001932 True native_MD 7 285 297 + CD_AB42_32 N_AB42_34 1 0.000000e+00 2.869852e-06 ; 3.075978e-01 -2.869852e-06 1.342952e-02 5.971322e-02 0.000485 0.000060 True native_MD 7 285 293 + CD_AB42_32 CA_AB42_34 1 0.000000e+00 2.603198e-05 ; 3.696471e-01 -2.603198e-05 2.326667e-02 1.199089e-01 0.000485 0.001932 True native_MD 7 285 295 + CD_AB42_32 CB_AB42_34 1 0.000000e+00 1.272689e-05 ; 3.482479e-01 -1.272689e-05 1.943296e-02 1.242297e-01 0.000485 0.002332 True native_MD 7 285 296 + CD_AB42_32 CG_AB42_34 1 0.000000e+00 2.639046e-05 ; 3.700686e-01 -2.639046e-05 2.135108e-02 1.330947e-01 0.000485 0.001932 True native_MD 7 285 297 CD_AB42_32 CD1_AB42_34 1 6.038129e-04 1.094066e-06 ; 3.491592e-01 8.331077e-02 1.267516e-02 9.323516e-02 0.000485 0.005315 True native_MD 7 285 298 CD_AB42_32 CD2_AB42_34 1 1.028006e-03 2.370032e-06 ; 3.634626e-01 1.114749e-01 1.110869e-02 3.517620e-02 0.000485 0.005315 True native_MD 7 285 299 - CD_AB42_32 C_AB42_34 1 0.000000e+00 4.855904e-06 ; 3.213790e-01 -4.855904e-06 8.725119e-03 3.618699e-02 0.000485 0.000060 True native_MD 7 285 300 + CD_AB42_32 C_AB42_34 1 0.000000e+00 4.855840e-06 ; 3.213787e-01 -4.855840e-06 8.725119e-03 3.618699e-02 0.000485 0.000060 True native_MD 7 285 300 CD_AB42_32 O_AB42_34 1 0.000000e+00 1.554684e-06 ; 2.922796e-01 -1.554684e-06 8.083615e-03 4.178881e-02 0.000485 0.001191 True native_MD 7 285 301 - CD_AB42_32 N_AB42_35 1 0.000000e+00 2.779869e-06 ; 3.067823e-01 -2.779869e-06 4.424297e-03 1.789285e-02 0.000485 0.000060 True native_MD 7 285 302 + CD_AB42_32 N_AB42_35 1 0.000000e+00 2.779843e-06 ; 3.067821e-01 -2.779843e-06 4.424297e-03 1.789285e-02 0.000485 0.000060 True native_MD 7 285 302 CD_AB42_32 CA_AB42_35 1 3.284319e-03 2.080847e-05 ; 4.301624e-01 1.295957e-01 6.734311e-02 4.508263e-02 0.000485 0.001932 True native_MD 7 285 304 CD_AB42_32 CB_AB42_35 1 1.999390e-03 6.329670e-06 ; 3.831898e-01 1.578897e-01 1.151936e-01 3.990522e-02 0.000485 0.002332 True native_MD 7 285 305 CD_AB42_32 CG_AB42_35 1 2.451588e-03 9.667639e-06 ; 3.974771e-01 1.554228e-01 1.311618e-01 4.891829e-02 0.000485 0.002332 True native_MD 7 285 306 - CD_AB42_32 SD_AB42_35 1 0.000000e+00 4.435306e-06 ; 3.189618e-01 -4.435306e-06 1.170821e-01 3.368018e-02 0.000485 0.000060 True native_MD 7 285 307 + CD_AB42_32 SD_AB42_35 1 0.000000e+00 4.435315e-06 ; 3.189618e-01 -4.435315e-06 1.170821e-01 3.368018e-02 0.000485 0.000060 True native_MD 7 285 307 CD_AB42_32 CE_AB42_35 1 1.388019e-03 2.597731e-06 ; 3.510479e-01 1.854116e-01 1.234697e-01 4.277757e-02 0.000485 0.005315 True native_MD 7 285 308 - CD_AB42_32 C_AB42_35 1 0.000000e+00 4.734932e-06 ; 3.207041e-01 -4.734932e-06 7.682328e-03 9.547692e-03 0.000485 0.000060 True native_MD 7 285 309 + CD_AB42_32 C_AB42_35 1 0.000000e+00 4.734870e-06 ; 3.207037e-01 -4.734870e-06 7.682328e-03 9.547692e-03 0.000485 0.000060 True native_MD 7 285 309 CD_AB42_32 O_AB42_35 1 4.242791e-04 5.133894e-07 ; 3.264369e-01 8.765898e-02 5.931610e-03 8.581527e-03 0.000485 0.001191 True native_MD 7 285 310 - CD_AB42_32 N_AB42_36 1 0.000000e+00 2.722125e-06 ; 3.062462e-01 -2.722125e-06 1.204509e-02 4.461530e-03 0.000485 0.000060 True native_MD 7 285 311 + CD_AB42_32 N_AB42_36 1 0.000000e+00 2.722099e-06 ; 3.062459e-01 -2.722099e-06 1.204509e-02 4.461530e-03 0.000485 0.000060 True native_MD 7 285 311 CD_AB42_32 CA_AB42_36 1 5.998885e-03 4.534847e-05 ; 4.430119e-01 1.983894e-01 2.233123e-01 1.907829e-02 0.000485 0.001932 True native_MD 7 285 313 CD_AB42_32 CB_AB42_36 1 2.722279e-03 9.427813e-06 ; 3.889673e-01 1.965143e-01 3.085986e-01 2.788626e-02 0.000485 0.001932 True native_MD 7 285 314 CD_AB42_32 CG1_AB42_36 1 1.656814e-03 2.983785e-06 ; 3.488047e-01 2.299959e-01 2.383909e-01 2.175195e-02 0.000485 0.005315 True native_MD 7 285 315 @@ -48807,56 +48807,56 @@ CG2_AB42_32 O2_AB42_42 1 0.000000e+00 1.215605e-06 ; 2.863482e-01 -1.215605 CD_AB42_32 O_AB42_36 1 8.212602e-04 9.105015e-07 ; 3.217115e-01 1.851914e-01 1.180330e-01 9.221437e-03 0.000485 0.001191 True native_MD 7 285 318 CD_AB42_32 N_AB42_37 1 6.872729e-04 1.077218e-06 ; 3.408231e-01 1.096213e-01 1.598248e-01 6.010800e-03 0.000485 0.000060 True native_MD 7 285 319 CD_AB42_32 CA_AB42_37 1 1.190741e-03 1.782035e-06 ; 3.382074e-01 1.989109e-01 1.920751e-01 1.949547e-02 0.000485 0.002332 True native_MD 7 285 321 - CD_AB42_32 C_AB42_37 1 0.000000e+00 4.387651e-06 ; 3.186748e-01 -4.387651e-06 8.242989e-02 1.081397e-02 0.000485 0.000060 True native_MD 7 285 322 + CD_AB42_32 C_AB42_37 1 0.000000e+00 4.387593e-06 ; 3.186744e-01 -4.387593e-06 8.242989e-02 1.081397e-02 0.000485 0.000060 True native_MD 7 285 322 CD_AB42_32 O_AB42_37 1 4.928313e-04 5.379955e-07 ; 3.208830e-01 1.128647e-01 1.210722e-02 8.238472e-03 0.000485 0.001191 True native_MD 7 285 323 - CD_AB42_32 N_AB42_38 1 0.000000e+00 2.684609e-06 ; 3.058922e-01 -2.684609e-06 2.674640e-02 5.485568e-03 0.000485 0.000060 True native_MD 7 285 324 + CD_AB42_32 N_AB42_38 1 0.000000e+00 2.684584e-06 ; 3.058920e-01 -2.684584e-06 2.674640e-02 5.485568e-03 0.000485 0.000060 True native_MD 7 285 324 CD_AB42_32 CA_AB42_38 1 1.125745e-03 2.127814e-06 ; 3.516270e-01 1.488972e-01 3.335268e-02 1.512185e-02 0.000485 0.002332 True native_MD 7 285 326 - CD_AB42_32 C_AB42_38 1 0.000000e+00 4.670660e-06 ; 3.203390e-01 -4.670660e-06 1.781653e-02 6.082613e-03 0.000485 0.000060 True native_MD 7 285 327 + CD_AB42_32 C_AB42_38 1 0.000000e+00 4.670599e-06 ; 3.203387e-01 -4.670599e-06 1.781653e-02 6.082613e-03 0.000485 0.000060 True native_MD 7 285 327 CD_AB42_32 O_AB42_38 1 4.308946e-04 3.430909e-07 ; 3.044433e-01 1.352923e-01 1.381365e-02 4.804262e-03 0.000485 0.001191 True native_MD 7 285 328 - CD_AB42_32 N_AB42_39 1 0.000000e+00 2.726881e-06 ; 3.062907e-01 -2.726881e-06 7.980219e-03 2.130636e-03 0.000485 0.000060 True native_MD 7 285 329 + CD_AB42_32 N_AB42_39 1 0.000000e+00 2.726855e-06 ; 3.062905e-01 -2.726855e-06 7.980219e-03 2.130636e-03 0.000485 0.000060 True native_MD 7 285 329 CD_AB42_32 CA_AB42_39 1 2.718827e-03 1.259257e-05 ; 4.082775e-01 1.467536e-01 1.966453e-02 7.877763e-03 0.000485 0.001932 True native_MD 7 285 331 CD_AB42_32 CB_AB42_39 1 2.051940e-03 7.737138e-06 ; 3.945202e-01 1.360470e-01 2.631696e-02 1.452467e-02 0.000485 0.001932 True native_MD 7 285 332 CD_AB42_32 CG1_AB42_39 1 1.242485e-03 2.297175e-06 ; 3.503352e-01 1.680074e-01 2.016869e-02 1.176334e-02 0.000485 0.005315 True native_MD 7 285 333 CD_AB42_32 CG2_AB42_39 1 1.299473e-03 2.531891e-06 ; 3.534106e-01 1.667362e-01 1.935320e-02 1.172537e-02 0.000485 0.005315 True native_MD 7 285 334 - CD_AB42_32 C_AB42_39 1 0.000000e+00 4.713852e-06 ; 3.205849e-01 -4.713852e-06 5.108256e-03 2.513372e-03 0.000485 0.000060 True native_MD 7 285 335 + CD_AB42_32 C_AB42_39 1 0.000000e+00 4.713790e-06 ; 3.205845e-01 -4.713790e-06 5.108256e-03 2.513372e-03 0.000485 0.000060 True native_MD 7 285 335 CD_AB42_32 O_AB42_39 1 4.852815e-04 5.130171e-07 ; 3.191707e-01 1.147613e-01 4.322755e-03 2.779152e-03 0.000485 0.001191 True native_MD 7 285 336 - CD_AB42_32 N_AB42_40 1 0.000000e+00 2.737406e-06 ; 3.063891e-01 -2.737406e-06 3.221266e-03 1.208697e-03 0.000485 0.000060 True native_MD 7 285 337 + CD_AB42_32 N_AB42_40 1 0.000000e+00 2.737380e-06 ; 3.063888e-01 -2.737380e-06 3.221266e-03 1.208697e-03 0.000485 0.000060 True native_MD 7 285 337 CD_AB42_32 CA_AB42_40 1 2.429267e-03 9.873295e-06 ; 3.994825e-01 1.494268e-01 1.581856e-02 5.849850e-03 0.000485 0.001932 True native_MD 7 285 339 CD_AB42_32 CB_AB42_40 1 2.432030e-03 9.442379e-06 ; 3.964473e-01 1.566017e-01 2.910290e-02 8.682885e-03 0.000485 0.001932 True native_MD 7 285 340 CD_AB42_32 CG1_AB42_40 1 1.429280e-03 2.620593e-06 ; 3.498488e-01 1.948834e-01 2.636504e-02 6.879898e-03 0.000485 0.005315 True native_MD 7 285 341 CD_AB42_32 CG2_AB42_40 1 1.261236e-03 2.125030e-06 ; 3.449542e-01 1.871405e-01 2.299377e-02 7.564768e-03 0.000485 0.005315 True native_MD 7 285 342 - CD_AB42_32 C_AB42_40 1 0.000000e+00 4.716039e-06 ; 3.205972e-01 -4.716039e-06 3.740558e-03 1.608457e-03 0.000485 0.000060 True native_MD 7 285 343 + CD_AB42_32 C_AB42_40 1 0.000000e+00 4.715977e-06 ; 3.205969e-01 -4.715977e-06 3.740558e-03 1.608457e-03 0.000485 0.000060 True native_MD 7 285 343 CD_AB42_32 O_AB42_40 1 4.636451e-04 4.852149e-07 ; 3.186335e-01 1.107585e-01 2.812612e-03 2.038379e-03 0.000485 0.001191 True native_MD 7 285 344 - CD_AB42_32 N_AB42_41 1 0.000000e+00 2.740211e-06 ; 3.064152e-01 -2.740211e-06 1.971397e-03 9.815053e-04 0.000485 0.000060 True native_MD 7 285 345 + CD_AB42_32 N_AB42_41 1 0.000000e+00 2.740185e-06 ; 3.064150e-01 -2.740185e-06 1.971397e-03 9.815053e-04 0.000485 0.000060 True native_MD 7 285 345 CD_AB42_32 CA_AB42_41 1 3.206104e-03 1.801592e-05 ; 4.216445e-01 1.426391e-01 9.631603e-03 4.364083e-03 0.000485 0.001932 True native_MD 7 285 347 CD_AB42_32 CB_AB42_41 1 2.570248e-03 1.155420e-05 ; 4.062507e-01 1.429388e-01 1.458800e-02 6.550811e-03 0.000485 0.001932 True native_MD 7 285 348 CD_AB42_32 CG1_AB42_41 1 1.351473e-03 3.163548e-06 ; 3.643856e-01 1.443378e-01 1.230551e-02 6.394860e-03 0.000485 0.002332 True native_MD 7 285 349 CD_AB42_32 CG2_AB42_41 1 1.263780e-03 2.320585e-06 ; 3.499352e-01 1.720622e-01 1.210466e-02 6.253247e-03 0.000485 0.005315 True native_MD 7 285 350 CD_AB42_32 CD_AB42_41 1 1.348867e-03 2.717089e-06 ; 3.553768e-01 1.674074e-01 1.410544e-02 8.376017e-03 0.000485 0.005315 True native_MD 7 285 351 - CD_AB42_32 C_AB42_41 1 0.000000e+00 4.706656e-06 ; 3.205440e-01 -4.706656e-06 5.755840e-03 1.638310e-03 0.000485 0.000060 True native_MD 7 285 352 + CD_AB42_32 C_AB42_41 1 0.000000e+00 4.706594e-06 ; 3.205437e-01 -4.706594e-06 5.755840e-03 1.638310e-03 0.000485 0.000060 True native_MD 7 285 352 CD_AB42_32 O_AB42_41 1 5.902058e-04 6.333809e-07 ; 3.199707e-01 1.374934e-01 5.457726e-03 1.777141e-03 0.000485 0.001191 True native_MD 7 285 353 - CD_AB42_32 N_AB42_42 1 0.000000e+00 2.733189e-06 ; 3.063497e-01 -2.733189e-06 4.414035e-03 8.639437e-04 0.000485 0.000060 True native_MD 7 285 354 + CD_AB42_32 N_AB42_42 1 0.000000e+00 2.733163e-06 ; 3.063495e-01 -2.733163e-06 4.414035e-03 8.639437e-04 0.000485 0.000060 True native_MD 7 285 354 CD_AB42_32 CA_AB42_42 1 1.775994e-03 5.133041e-06 ; 3.774177e-01 1.536201e-01 1.503441e-02 4.904155e-03 0.000485 0.001932 True native_MD 7 285 356 CD_AB42_32 CB_AB42_42 1 1.129618e-03 1.810085e-06 ; 3.420802e-01 1.762399e-01 1.165775e-02 4.771797e-03 0.000485 0.005315 True native_MD 7 285 357 - CD_AB42_32 C_AB42_42 1 0.000000e+00 4.713408e-06 ; 3.205823e-01 -4.713408e-06 4.767660e-03 2.078934e-03 0.000485 0.000060 True native_MD 7 285 358 - CD_AB42_32 O1_AB42_42 1 0.000000e+00 1.216161e-06 ; 2.863590e-01 -1.216161e-06 2.022511e-03 9.509914e-04 0.000485 0.000060 True native_MD 7 285 359 - CD_AB42_32 O2_AB42_42 1 0.000000e+00 1.216161e-06 ; 2.863590e-01 -1.216161e-06 2.022511e-03 9.509914e-04 0.000485 0.000060 True native_MD 7 285 360 - C_AB42_32 CA_AB42_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 290 - C_AB42_32 O_AB42_33 1 0.000000e+00 5.602532e-07 ; 2.684481e-01 -5.602532e-07 9.543467e-01 6.318460e-01 0.000485 0.000060 True native_MD 4 286 292 - C_AB42_32 N_AB42_34 1 0.000000e+00 1.460350e-06 ; 2.907589e-01 -1.460350e-06 9.860024e-01 9.543085e-01 0.000485 0.000060 True native_MD 4 286 293 - C_AB42_32 CA_AB42_34 1 0.000000e+00 1.190985e-05 ; 3.463277e-01 -1.190985e-05 9.227413e-01 8.352432e-01 0.000485 0.000060 True native_MD 5 286 295 - C_AB42_32 CB_AB42_34 1 0.000000e+00 5.964869e-06 ; 3.269352e-01 -5.964869e-06 3.762502e-01 3.179783e-01 0.000485 0.000060 True native_MD 6 286 296 - C_AB42_32 CG_AB42_34 1 0.000000e+00 1.544935e-05 ; 3.539192e-01 -1.544935e-05 1.174768e-01 3.011658e-01 0.000485 0.000060 True native_MD 7 286 297 - C_AB42_32 CD1_AB42_34 1 0.000000e+00 4.875510e-06 ; 3.214869e-01 -4.875510e-06 5.665399e-03 3.727585e-02 0.000485 0.000060 True native_MD 7 286 298 - C_AB42_32 CD2_AB42_34 1 0.000000e+00 4.806800e-06 ; 3.211069e-01 -4.806800e-06 1.374210e-02 3.081403e-02 0.000485 0.000060 True native_MD 7 286 299 - C_AB42_32 C_AB42_34 1 0.000000e+00 1.820888e-06 ; 2.961547e-01 -1.820888e-06 3.814221e-01 8.214893e-02 0.000485 0.000060 True native_MD 6 286 300 - C_AB42_32 O_AB42_34 1 0.000000e+00 8.753135e-07 ; 2.786177e-01 -8.753135e-07 1.116148e-02 6.965482e-02 0.000485 0.002166 True native_MD 7 286 301 + CD_AB42_32 C_AB42_42 1 0.000000e+00 4.713347e-06 ; 3.205820e-01 -4.713347e-06 4.767660e-03 2.078934e-03 0.000485 0.000060 True native_MD 7 285 358 + CD_AB42_32 O1_AB42_42 1 0.000000e+00 1.216161e-06 ; 2.863591e-01 -1.216161e-06 2.022511e-03 9.509914e-04 0.000485 0.000060 True native_MD 7 285 359 + CD_AB42_32 O2_AB42_42 1 0.000000e+00 1.216161e-06 ; 2.863591e-01 -1.216161e-06 2.022511e-03 9.509914e-04 0.000485 0.000060 True native_MD 7 285 360 + C_AB42_32 CA_AB42_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 290 + C_AB42_32 O_AB42_33 1 0.000000e+00 5.602506e-07 ; 2.684480e-01 -5.602506e-07 9.543467e-01 6.318460e-01 0.000485 0.000060 True native_MD 4 286 292 + C_AB42_32 N_AB42_34 1 0.000000e+00 1.460329e-06 ; 2.907586e-01 -1.460329e-06 9.860024e-01 9.543085e-01 0.000485 0.000060 True native_MD 4 286 293 + C_AB42_32 CA_AB42_34 1 0.000000e+00 1.190979e-05 ; 3.463275e-01 -1.190979e-05 9.227413e-01 8.352432e-01 0.000485 0.000060 True native_MD 5 286 295 + C_AB42_32 CB_AB42_34 1 0.000000e+00 5.964769e-06 ; 3.269348e-01 -5.964769e-06 3.762502e-01 3.179783e-01 0.000485 0.000060 True native_MD 6 286 296 + C_AB42_32 CG_AB42_34 1 0.000000e+00 1.544927e-05 ; 3.539191e-01 -1.544927e-05 1.174768e-01 3.011658e-01 0.000485 0.000060 True native_MD 7 286 297 + C_AB42_32 CD1_AB42_34 1 0.000000e+00 4.875447e-06 ; 3.214866e-01 -4.875447e-06 5.665399e-03 3.727585e-02 0.000485 0.000060 True native_MD 7 286 298 + C_AB42_32 CD2_AB42_34 1 0.000000e+00 4.806737e-06 ; 3.211066e-01 -4.806737e-06 1.374210e-02 3.081403e-02 0.000485 0.000060 True native_MD 7 286 299 + C_AB42_32 C_AB42_34 1 0.000000e+00 1.820855e-06 ; 2.961542e-01 -1.820855e-06 3.814221e-01 8.214893e-02 0.000485 0.000060 True native_MD 6 286 300 + C_AB42_32 O_AB42_34 1 0.000000e+00 8.753095e-07 ; 2.786176e-01 -8.753095e-07 1.116148e-02 6.965482e-02 0.000485 0.002166 True native_MD 7 286 301 C_AB42_32 N_AB42_35 1 1.011958e-03 1.405329e-06 ; 3.340175e-01 1.821742e-01 4.160866e-01 6.473041e-02 0.000485 0.002166 True native_MD 7 286 302 C_AB42_32 CA_AB42_35 1 3.054508e-03 1.397152e-05 ; 4.074276e-01 1.669470e-01 4.172754e-01 6.328572e-02 0.000485 0.001339 True native_MD 7 286 304 C_AB42_32 CB_AB42_35 1 8.689805e-04 2.553285e-06 ; 3.784556e-01 7.393681e-02 3.811445e-01 4.170207e-02 0.000485 0.000060 True native_MD 7 286 305 - C_AB42_32 CG_AB42_35 1 0.000000e+00 4.848460e-06 ; 3.213379e-01 -4.848460e-06 2.759164e-01 4.138680e-02 0.000485 0.000060 True native_MD 7 286 306 + C_AB42_32 CG_AB42_35 1 0.000000e+00 4.848378e-06 ; 3.213375e-01 -4.848378e-06 2.759164e-01 4.138680e-02 0.000485 0.000060 True native_MD 7 286 306 C_AB42_32 SD_AB42_35 1 2.441559e-03 7.911643e-06 ; 3.846803e-01 1.883683e-01 8.121148e-02 1.049650e-02 0.000485 0.002166 True native_MD 7 286 307 - C_AB42_32 CE_AB42_35 1 0.000000e+00 4.459118e-06 ; 3.191041e-01 -4.459118e-06 7.717828e-02 2.068424e-02 0.000485 0.000060 True native_MD 7 286 308 + C_AB42_32 CE_AB42_35 1 0.000000e+00 4.459060e-06 ; 3.191038e-01 -4.459060e-06 7.717828e-02 2.068424e-02 0.000485 0.000060 True native_MD 7 286 308 C_AB42_32 C_AB42_35 1 4.853812e-03 2.467439e-05 ; 4.146617e-01 2.387039e-01 1.710175e-01 4.900725e-03 0.000485 0.002166 True native_MD 7 286 309 C_AB42_32 O_AB42_35 1 8.143194e-04 1.139925e-06 ; 3.344621e-01 1.454298e-01 2.813624e-02 1.314468e-02 0.000485 0.002166 True native_MD 7 286 310 C_AB42_32 N_AB42_36 1 2.570613e-03 6.263647e-06 ; 3.668302e-01 2.637461e-01 2.358671e-01 3.194692e-03 0.000485 0.002166 True native_MD 7 286 311 @@ -48876,36 +48876,36 @@ CG2_AB42_32 O2_AB42_42 1 0.000000e+00 1.215605e-06 ; 2.863482e-01 -1.215605 C_AB42_32 O_AB42_38 1 8.772776e-04 1.359914e-06 ; 3.401959e-01 1.414824e-01 4.119870e-03 9.883631e-04 0.000485 0.002166 True native_MD 7 286 328 C_AB42_32 N_AB42_39 1 1.292671e-03 2.598137e-06 ; 3.552459e-01 1.607880e-01 7.341616e-03 1.091812e-04 0.000485 0.002166 True native_MD 7 286 329 C_AB42_32 CA_AB42_39 1 5.184998e-03 3.893886e-05 ; 4.425263e-01 1.726052e-01 1.045625e-02 1.181252e-03 0.000485 0.001339 True native_MD 7 286 331 - C_AB42_32 CB_AB42_39 1 0.000000e+00 1.284994e-05 ; 3.485273e-01 -1.284994e-05 1.976795e-02 4.297305e-03 0.000485 0.000060 True native_MD 7 286 332 - C_AB42_32 CG1_AB42_39 1 0.000000e+00 4.690704e-06 ; 3.204534e-01 -4.690704e-06 1.237767e-02 4.884895e-03 0.000485 0.000060 True native_MD 7 286 333 - C_AB42_32 CG2_AB42_39 1 0.000000e+00 4.671258e-06 ; 3.203424e-01 -4.671258e-06 1.606523e-02 4.457826e-03 0.000485 0.000060 True native_MD 7 286 334 + C_AB42_32 CB_AB42_39 1 0.000000e+00 1.284988e-05 ; 3.485271e-01 -1.284988e-05 1.976795e-02 4.297305e-03 0.000485 0.000060 True native_MD 7 286 332 + C_AB42_32 CG1_AB42_39 1 0.000000e+00 4.690643e-06 ; 3.204530e-01 -4.690643e-06 1.237767e-02 4.884895e-03 0.000485 0.000060 True native_MD 7 286 333 + C_AB42_32 CG2_AB42_39 1 0.000000e+00 4.671197e-06 ; 3.203421e-01 -4.671197e-06 1.606523e-02 4.457826e-03 0.000485 0.000060 True native_MD 7 286 334 C_AB42_32 C_AB42_39 1 1.887264e-03 7.703639e-06 ; 3.997703e-01 1.155871e-01 1.898152e-03 4.996794e-05 0.000485 0.002166 True native_MD 7 286 335 C_AB42_32 O_AB42_39 1 5.626312e-04 6.112920e-07 ; 3.206300e-01 1.294610e-01 2.875046e-03 3.432352e-04 0.000485 0.002166 True native_MD 7 286 336 C_AB42_32 CA_AB42_40 1 3.544349e-03 2.375766e-05 ; 4.342214e-01 1.321933e-01 3.120007e-03 4.057211e-04 0.000485 0.001339 True native_MD 7 286 339 - C_AB42_32 CB_AB42_40 1 0.000000e+00 1.288057e-05 ; 3.485964e-01 -1.288057e-05 1.523631e-02 2.111757e-03 0.000485 0.000060 True native_MD 7 286 340 - C_AB42_32 CG1_AB42_40 1 0.000000e+00 4.670269e-06 ; 3.203368e-01 -4.670269e-06 1.428713e-02 2.470550e-03 0.000485 0.000060 True native_MD 7 286 341 - C_AB42_32 CG2_AB42_40 1 0.000000e+00 4.657259e-06 ; 3.202623e-01 -4.657259e-06 1.677214e-02 2.202664e-03 0.000485 0.000060 True native_MD 7 286 342 + C_AB42_32 CB_AB42_40 1 0.000000e+00 1.288050e-05 ; 3.485963e-01 -1.288050e-05 1.523631e-02 2.111757e-03 0.000485 0.000060 True native_MD 7 286 340 + C_AB42_32 CG1_AB42_40 1 0.000000e+00 4.670208e-06 ; 3.203364e-01 -4.670208e-06 1.428713e-02 2.470550e-03 0.000485 0.000060 True native_MD 7 286 341 + C_AB42_32 CG2_AB42_40 1 0.000000e+00 4.657198e-06 ; 3.202620e-01 -4.657198e-06 1.677214e-02 2.202664e-03 0.000485 0.000060 True native_MD 7 286 342 C_AB42_32 C_AB42_40 1 1.721627e-03 9.338992e-06 ; 4.191732e-01 7.934471e-02 6.416531e-04 0.000000e+00 0.000485 0.002166 True native_MD 7 286 343 C_AB42_32 O_AB42_40 1 4.249009e-04 5.251155e-07 ; 3.275879e-01 8.595287e-02 7.819596e-04 1.043370e-04 0.000485 0.002166 True native_MD 7 286 344 C_AB42_32 CA_AB42_41 1 7.290743e-03 8.895008e-05 ; 4.798024e-01 1.493954e-01 5.220662e-03 1.936087e-04 0.000485 0.001339 True native_MD 7 286 347 C_AB42_32 CB_AB42_41 1 2.731352e-03 2.207078e-05 ; 4.479608e-01 8.450406e-02 8.342382e-03 6.653023e-04 0.000485 0.000060 True native_MD 7 286 348 - C_AB42_32 CG1_AB42_41 1 0.000000e+00 6.309423e-06 ; 3.284688e-01 -6.309423e-06 4.956666e-03 1.082691e-03 0.000485 0.000060 True native_MD 7 286 349 - C_AB42_32 CG2_AB42_41 1 0.000000e+00 4.716456e-06 ; 3.205996e-01 -4.716456e-06 3.198560e-03 1.154588e-03 0.000485 0.000060 True native_MD 7 286 350 - C_AB42_32 CD_AB42_41 1 0.000000e+00 4.704781e-06 ; 3.205334e-01 -4.704781e-06 7.521897e-03 3.007789e-03 0.000485 0.000060 True native_MD 7 286 351 + C_AB42_32 CG1_AB42_41 1 0.000000e+00 6.309318e-06 ; 3.284684e-01 -6.309318e-06 4.956666e-03 1.082691e-03 0.000485 0.000060 True native_MD 7 286 349 + C_AB42_32 CG2_AB42_41 1 0.000000e+00 4.716394e-06 ; 3.205993e-01 -4.716394e-06 3.198560e-03 1.154588e-03 0.000485 0.000060 True native_MD 7 286 350 + C_AB42_32 CD_AB42_41 1 0.000000e+00 4.704720e-06 ; 3.205330e-01 -4.704720e-06 7.521897e-03 3.007789e-03 0.000485 0.000060 True native_MD 7 286 351 C_AB42_32 C_AB42_41 1 3.560329e-03 2.018792e-05 ; 4.222798e-01 1.569743e-01 6.549770e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 286 352 C_AB42_32 O_AB42_41 1 7.880294e-04 9.146035e-07 ; 3.241767e-01 1.697430e-01 9.597916e-03 1.498106e-04 0.000485 0.002166 True native_MD 7 286 353 C_AB42_32 CA_AB42_42 1 5.277945e-03 4.492199e-05 ; 4.518549e-01 1.550282e-01 6.179221e-03 5.890998e-04 0.000485 0.001339 True native_MD 7 286 356 - C_AB42_32 CB_AB42_42 1 0.000000e+00 4.715024e-06 ; 3.205915e-01 -4.715024e-06 3.342096e-03 9.952736e-04 0.000485 0.000060 True native_MD 7 286 357 + C_AB42_32 CB_AB42_42 1 0.000000e+00 4.714963e-06 ; 3.205911e-01 -4.714963e-06 3.342096e-03 9.952736e-04 0.000485 0.000060 True native_MD 7 286 357 O_AB42_32 O_AB42_32 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 287 O_AB42_32 H_AB42_33 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 289 O_AB42_32 CA_AB42_33 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 290 - O_AB42_32 C_AB42_33 1 0.000000e+00 8.246198e-07 ; 2.772359e-01 -8.246198e-07 9.999857e-01 9.971765e-01 0.000485 0.000060 True native_MD 4 287 291 + O_AB42_32 C_AB42_33 1 0.000000e+00 8.246160e-07 ; 2.772358e-01 -8.246160e-07 9.999857e-01 9.971765e-01 0.000485 0.000060 True native_MD 4 287 291 O_AB42_32 O_AB42_33 1 0.000000e+00 1.054222e-06 ; 2.829693e-01 -1.054222e-06 9.858848e-01 6.886998e-01 0.000485 0.000060 True native_MD 5 287 292 O_AB42_32 N_AB42_34 1 0.000000e+00 1.327842e-06 ; 2.884633e-01 -1.327842e-06 9.649629e-01 8.501910e-01 0.000485 0.000060 True native_MD 5 287 293 - O_AB42_32 H_AB42_34 1 0.000000e+00 1.459327e-08 ; 1.980802e-01 -1.459327e-08 2.511984e-01 1.917170e-01 0.000485 0.000060 True native_MD 6 287 294 - O_AB42_32 CA_AB42_34 1 0.000000e+00 2.494285e-06 ; 3.040235e-01 -2.494285e-06 7.800867e-01 3.806135e-01 0.000485 0.000060 True native_MD 6 287 295 + O_AB42_32 H_AB42_34 1 0.000000e+00 1.459351e-08 ; 1.980805e-01 -1.459351e-08 2.511984e-01 1.917170e-01 0.000485 0.000060 True native_MD 6 287 294 + O_AB42_32 CA_AB42_34 1 0.000000e+00 2.494305e-06 ; 3.040237e-01 -2.494305e-06 7.800867e-01 3.806135e-01 0.000485 0.000060 True native_MD 6 287 295 O_AB42_32 CB_AB42_34 1 1.248085e-03 4.229776e-06 ; 3.875659e-01 9.206846e-02 4.949928e-02 6.275991e-02 0.000485 0.001191 True native_MD 7 287 296 - O_AB42_32 CG_AB42_34 1 0.000000e+00 4.493762e-06 ; 3.193100e-01 -4.493762e-06 3.690103e-02 1.188243e-01 0.000485 0.001191 True native_MD 7 287 297 + O_AB42_32 CG_AB42_34 1 0.000000e+00 4.493798e-06 ; 3.193102e-01 -4.493798e-06 3.690103e-02 1.188243e-01 0.000485 0.001191 True native_MD 7 287 297 O_AB42_32 CD1_AB42_34 1 0.000000e+00 1.533606e-06 ; 2.919473e-01 -1.533606e-06 6.446023e-03 2.613655e-02 0.000485 0.001191 True native_MD 7 287 298 O_AB42_32 CD2_AB42_34 1 5.761171e-04 8.357698e-07 ; 3.364568e-01 9.928298e-02 2.306561e-02 2.356588e-02 0.000485 0.001191 True native_MD 7 287 299 O_AB42_32 C_AB42_34 1 1.564837e-03 3.307417e-06 ; 3.582366e-01 1.850927e-01 3.209563e-01 4.575558e-02 0.000485 0.002166 True native_MD 7 287 300 @@ -48964,22 +48964,22 @@ CG2_AB42_32 O2_AB42_42 1 0.000000e+00 1.215605e-06 ; 2.863482e-01 -1.215605 O_AB42_32 CB_AB42_42 1 3.671607e-04 3.250245e-07 ; 3.098679e-01 1.036899e-01 1.329555e-03 1.108365e-03 0.000485 0.001191 True native_MD 7 287 357 O_AB42_32 O1_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 359 O_AB42_32 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 360 - N_AB42_33 CA_AB42_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 288 290 - N_AB42_33 CA_AB42_34 1 0.000000e+00 7.574718e-06 ; 3.335100e-01 -7.574718e-06 1.000000e+00 9.999634e-01 0.000485 0.000060 True native_MD 4 288 295 - N_AB42_33 CB_AB42_34 1 0.000000e+00 4.091588e-06 ; 3.168249e-01 -4.091588e-06 4.776324e-01 5.906620e-01 0.000485 0.000060 True native_MD 5 288 296 - N_AB42_33 CG_AB42_34 1 0.000000e+00 8.840099e-06 ; 3.378312e-01 -8.840099e-06 2.684067e-01 4.354173e-01 0.000485 0.000060 True native_MD 6 288 297 - N_AB42_33 CD1_AB42_34 1 0.000000e+00 2.816731e-06 ; 3.071193e-01 -2.816731e-06 6.872573e-03 3.377986e-02 0.000485 0.000060 True native_MD 7 288 298 - N_AB42_33 CD2_AB42_34 1 0.000000e+00 2.816071e-06 ; 3.071133e-01 -2.816071e-06 6.490930e-03 3.315773e-02 0.000485 0.000060 True native_MD 7 288 299 - N_AB42_33 C_AB42_34 1 0.000000e+00 1.390606e-06 ; 2.895756e-01 -1.390606e-06 1.941193e-01 1.161808e-01 0.000485 0.000060 True native_MD 5 288 300 + N_AB42_33 CA_AB42_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 288 290 + N_AB42_33 CA_AB42_34 1 0.000000e+00 7.574706e-06 ; 3.335100e-01 -7.574706e-06 1.000000e+00 9.999634e-01 0.000485 0.000060 True native_MD 4 288 295 + N_AB42_33 CB_AB42_34 1 0.000000e+00 4.091534e-06 ; 3.168246e-01 -4.091534e-06 4.776324e-01 5.906620e-01 0.000485 0.000060 True native_MD 5 288 296 + N_AB42_33 CG_AB42_34 1 0.000000e+00 8.840085e-06 ; 3.378312e-01 -8.840085e-06 2.684067e-01 4.354173e-01 0.000485 0.000060 True native_MD 6 288 297 + N_AB42_33 CD1_AB42_34 1 0.000000e+00 2.816704e-06 ; 3.071191e-01 -2.816704e-06 6.872573e-03 3.377986e-02 0.000485 0.000060 True native_MD 7 288 298 + N_AB42_33 CD2_AB42_34 1 0.000000e+00 2.816045e-06 ; 3.071131e-01 -2.816045e-06 6.490930e-03 3.315773e-02 0.000485 0.000060 True native_MD 7 288 299 + N_AB42_33 C_AB42_34 1 0.000000e+00 1.390586e-06 ; 2.895753e-01 -1.390586e-06 1.941193e-01 1.161808e-01 0.000485 0.000060 True native_MD 5 288 300 N_AB42_33 O_AB42_34 1 0.000000e+00 1.751638e-06 ; 2.951993e-01 -1.751638e-06 2.786707e-02 1.956260e-01 0.000485 0.000060 True native_MD 6 288 301 - N_AB42_33 N_AB42_35 1 0.000000e+00 6.449138e-07 ; 2.716148e-01 -6.449138e-07 3.379228e-01 7.471954e-02 0.000485 0.000060 True native_MD 6 288 302 + N_AB42_33 N_AB42_35 1 0.000000e+00 6.449070e-07 ; 2.716146e-01 -6.449070e-07 3.379228e-01 7.471954e-02 0.000485 0.000060 True native_MD 6 288 302 N_AB42_33 CA_AB42_35 1 6.711655e-03 6.777099e-05 ; 4.649102e-01 1.661711e-01 2.307002e-01 3.581135e-02 0.000485 0.001339 True native_MD 7 288 304 - N_AB42_33 CB_AB42_35 1 0.000000e+00 3.591790e-06 ; 3.134038e-01 -3.591790e-06 3.356058e-02 1.063076e-02 0.000485 0.000060 True native_MD 7 288 305 - N_AB42_33 CG_AB42_35 1 0.000000e+00 3.683099e-06 ; 3.140601e-01 -3.683099e-06 2.001971e-02 2.192856e-02 0.000485 0.000060 True native_MD 7 288 306 + N_AB42_33 CB_AB42_35 1 0.000000e+00 3.591743e-06 ; 3.134034e-01 -3.591743e-06 3.356058e-02 1.063076e-02 0.000485 0.000060 True native_MD 7 288 305 + N_AB42_33 CG_AB42_35 1 0.000000e+00 3.683050e-06 ; 3.140598e-01 -3.683050e-06 2.001971e-02 2.192856e-02 0.000485 0.000060 True native_MD 7 288 306 N_AB42_33 SD_AB42_35 1 1.267640e-03 2.644079e-06 ; 3.574482e-01 1.519349e-01 1.311227e-02 5.042246e-03 0.000485 0.002166 True native_MD 7 288 307 - N_AB42_33 CE_AB42_35 1 0.000000e+00 2.737283e-06 ; 3.063879e-01 -2.737283e-06 1.514865e-02 1.309135e-02 0.000485 0.000060 True native_MD 7 288 308 + N_AB42_33 CE_AB42_35 1 0.000000e+00 2.737257e-06 ; 3.063877e-01 -2.737257e-06 1.514865e-02 1.309135e-02 0.000485 0.000060 True native_MD 7 288 308 N_AB42_33 O_AB42_35 1 1.138021e-03 3.868697e-06 ; 3.877654e-01 8.369036e-02 8.026058e-03 2.379028e-02 0.000485 0.002166 True native_MD 7 288 310 - N_AB42_33 N_AB42_36 1 0.000000e+00 8.702722e-07 ; 2.784836e-01 -8.702722e-07 7.133495e-03 1.396208e-03 0.000485 0.000060 True native_MD 7 288 311 + N_AB42_33 N_AB42_36 1 0.000000e+00 8.702631e-07 ; 2.784833e-01 -8.702631e-07 7.133495e-03 1.396208e-03 0.000485 0.000060 True native_MD 7 288 311 N_AB42_33 CA_AB42_36 1 6.775157e-03 5.430675e-05 ; 4.473586e-01 2.113124e-01 1.820778e-01 7.320553e-03 0.000485 0.001339 True native_MD 7 288 313 N_AB42_33 CB_AB42_36 1 8.989925e-04 2.150888e-06 ; 3.657157e-01 9.393651e-02 3.781871e-01 2.274287e-02 0.000485 0.000060 True native_MD 7 288 314 N_AB42_33 CG1_AB42_36 1 5.404049e-04 9.525590e-07 ; 3.475592e-01 7.664549e-02 1.383531e-01 1.395896e-02 0.000485 0.000060 True native_MD 7 288 315 @@ -48990,15 +48990,15 @@ CG2_AB42_32 O2_AB42_42 1 0.000000e+00 1.215605e-06 ; 2.863482e-01 -1.215605 N_AB42_33 CA_AB42_37 1 2.993631e-03 1.326648e-05 ; 4.052841e-01 1.688811e-01 2.062268e-02 3.492178e-03 0.000485 0.001584 True native_MD 7 288 321 N_AB42_33 C_AB42_37 1 6.222695e-04 8.972724e-07 ; 3.361174e-01 1.078879e-01 1.507532e-03 7.565216e-04 0.000485 0.002166 True native_MD 7 288 322 N_AB42_33 O_AB42_37 1 1.709769e-04 6.769864e-08 ; 2.709820e-01 1.079530e-01 1.510473e-03 1.317298e-03 0.000485 0.002166 True native_MD 7 288 323 - N_AB42_33 N_AB42_38 1 0.000000e+00 8.736625e-07 ; 2.785738e-01 -8.736625e-07 2.403545e-03 5.395577e-04 0.000485 0.000060 True native_MD 7 288 324 + N_AB42_33 N_AB42_38 1 0.000000e+00 8.736533e-07 ; 2.785736e-01 -8.736533e-07 2.403545e-03 5.395577e-04 0.000485 0.000060 True native_MD 7 288 324 N_AB42_33 CA_AB42_38 1 1.422945e-03 3.322067e-06 ; 3.642252e-01 1.523730e-01 1.450492e-02 4.025470e-03 0.000485 0.001584 True native_MD 7 288 326 N_AB42_33 C_AB42_38 1 1.442352e-03 3.255679e-06 ; 3.621833e-01 1.597499e-01 7.117050e-03 1.060544e-03 0.000485 0.002166 True native_MD 7 288 327 N_AB42_33 O_AB42_38 1 3.954465e-04 2.372223e-07 ; 2.904098e-01 1.648010e-01 8.639450e-03 2.260555e-03 0.000485 0.002166 True native_MD 7 288 328 N_AB42_33 N_AB42_39 1 9.151040e-04 1.954062e-06 ; 3.588487e-01 1.071377e-01 1.977341e-03 8.010286e-05 0.000485 0.000060 True native_MD 7 288 329 N_AB42_33 CA_AB42_39 1 4.911758e-03 3.855027e-05 ; 4.457915e-01 1.564539e-01 6.448562e-03 9.983919e-04 0.000485 0.001339 True native_MD 7 288 331 - N_AB42_33 CB_AB42_39 1 0.000000e+00 7.482031e-06 ; 3.331680e-01 -7.482031e-06 1.516738e-02 2.894932e-03 0.000485 0.000060 True native_MD 7 288 332 - N_AB42_33 CG1_AB42_39 1 0.000000e+00 2.724096e-06 ; 3.062646e-01 -2.724096e-06 1.095369e-02 4.088812e-03 0.000485 0.000060 True native_MD 7 288 333 - N_AB42_33 CG2_AB42_39 1 0.000000e+00 2.722974e-06 ; 3.062541e-01 -2.722974e-06 1.141777e-02 4.143585e-03 0.000485 0.000060 True native_MD 7 288 334 + N_AB42_33 CB_AB42_39 1 0.000000e+00 7.482019e-06 ; 3.331680e-01 -7.482019e-06 1.516738e-02 2.894932e-03 0.000485 0.000060 True native_MD 7 288 332 + N_AB42_33 CG1_AB42_39 1 0.000000e+00 2.724071e-06 ; 3.062644e-01 -2.724071e-06 1.095369e-02 4.088812e-03 0.000485 0.000060 True native_MD 7 288 333 + N_AB42_33 CG2_AB42_39 1 0.000000e+00 2.722948e-06 ; 3.062539e-01 -2.722948e-06 1.141777e-02 4.143585e-03 0.000485 0.000060 True native_MD 7 288 334 N_AB42_33 C_AB42_39 1 1.229992e-03 3.173875e-06 ; 3.703519e-01 1.191666e-01 2.112766e-03 7.550211e-05 0.000485 0.002166 True native_MD 7 288 335 N_AB42_33 O_AB42_39 1 2.827996e-04 1.185723e-07 ; 2.735799e-01 1.686219e-01 9.281254e-03 8.149780e-04 0.000485 0.002166 True native_MD 7 288 336 N_AB42_33 N_AB42_40 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 4.802866e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 288 337 @@ -49012,15 +49012,15 @@ CG2_AB42_32 O2_AB42_42 1 0.000000e+00 1.215605e-06 ; 2.863482e-01 -1.215605 N_AB42_33 CA_AB42_41 1 3.478310e-03 1.738034e-05 ; 4.134741e-01 1.740277e-01 1.091097e-02 1.643869e-04 0.000485 0.001339 True native_MD 7 288 347 N_AB42_33 CB_AB42_41 1 1.937616e-03 8.470793e-06 ; 4.043673e-01 1.108029e-01 1.276367e-02 4.633479e-04 0.000485 0.000060 True native_MD 7 288 348 N_AB42_33 CG1_AB42_41 1 6.163716e-04 1.259945e-06 ; 3.562472e-01 7.538303e-02 7.853205e-03 8.228465e-04 0.000485 0.000060 True native_MD 7 288 349 - N_AB42_33 CG2_AB42_41 1 0.000000e+00 2.729435e-06 ; 3.063146e-01 -2.729435e-06 5.997488e-03 1.078826e-03 0.000485 0.000060 True native_MD 7 288 350 - N_AB42_33 CD_AB42_41 1 0.000000e+00 2.722783e-06 ; 3.062523e-01 -2.722783e-06 1.009015e-02 2.746383e-03 0.000485 0.000060 True native_MD 7 288 351 + N_AB42_33 CG2_AB42_41 1 0.000000e+00 2.729409e-06 ; 3.063144e-01 -2.729409e-06 5.997488e-03 1.078826e-03 0.000485 0.000060 True native_MD 7 288 350 + N_AB42_33 CD_AB42_41 1 0.000000e+00 2.722757e-06 ; 3.062521e-01 -2.722757e-06 1.009015e-02 2.746383e-03 0.000485 0.000060 True native_MD 7 288 351 N_AB42_33 C_AB42_41 1 1.139530e-03 1.917502e-06 ; 3.448803e-01 1.692996e-01 9.471389e-03 5.268023e-06 0.000485 0.002166 True native_MD 7 288 352 N_AB42_33 O_AB42_41 1 1.525634e-04 3.251182e-08 ; 2.443985e-01 1.789780e-01 1.265321e-02 1.507621e-04 0.000485 0.002166 True native_MD 7 288 353 N_AB42_33 N_AB42_42 1 1.077804e-03 2.732199e-06 ; 3.692570e-01 1.062936e-01 1.437295e-03 0.000000e+00 0.000485 0.000060 True native_MD 7 288 354 N_AB42_33 CA_AB42_42 1 2.093348e-03 6.315219e-06 ; 3.801233e-01 1.734739e-01 1.073165e-02 5.398519e-04 0.000485 0.001339 True native_MD 7 288 356 N_AB42_33 CB_AB42_42 1 5.083115e-04 8.949144e-07 ; 3.474897e-01 7.218024e-02 6.993459e-03 8.064726e-04 0.000485 0.000060 True native_MD 7 288 357 H_AB42_33 H_AB42_33 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 289 - H_AB42_33 O_AB42_33 1 0.000000e+00 1.737766e-08 ; 2.009837e-01 -1.737766e-08 8.205442e-02 2.020231e-01 0.000485 0.000060 True native_MD 4 289 292 + H_AB42_33 O_AB42_33 1 0.000000e+00 1.737793e-08 ; 2.009840e-01 -1.737793e-08 8.205442e-02 2.020231e-01 0.000485 0.000060 True native_MD 4 289 292 H_AB42_33 H_AB42_34 1 0.000000e+00 1.395687e-08 ; 1.973455e-01 -1.395687e-08 5.405916e-01 7.036641e-01 0.000485 0.000060 True native_MD 5 289 294 H_AB42_33 O_AB42_34 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 301 H_AB42_33 H_AB42_35 1 0.000000e+00 1.248173e-08 ; 1.955170e-01 -1.248173e-08 1.313012e-03 4.145740e-02 0.000485 0.000060 True native_MD 7 289 303 @@ -49040,23 +49040,23 @@ CG2_AB42_32 O2_AB42_42 1 0.000000e+00 1.215605e-06 ; 2.863482e-01 -1.215605 H_AB42_33 H_AB42_42 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 355 H_AB42_33 O1_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 359 H_AB42_33 O2_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 360 - CA_AB42_33 C_AB42_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 290 291 + CA_AB42_33 C_AB42_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 290 291 CA_AB42_33 O_AB42_33 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 290 292 - CA_AB42_33 N_AB42_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 290 293 - CA_AB42_33 CB_AB42_34 1 0.000000e+00 1.543885e-05 ; 3.538992e-01 -1.543885e-05 1.000000e+00 9.999966e-01 0.000485 0.000060 True native_MD 4 290 296 - CA_AB42_33 CG_AB42_34 1 0.000000e+00 4.065241e-05 ; 3.836356e-01 -4.065241e-05 6.023166e-01 8.801457e-01 0.000485 0.000060 True native_MD 5 290 297 - CA_AB42_33 CD1_AB42_34 1 0.000000e+00 1.231464e-05 ; 3.472936e-01 -1.231464e-05 2.212572e-02 9.112291e-02 0.000485 0.000060 True native_MD 6 290 298 - CA_AB42_33 CD2_AB42_34 1 0.000000e+00 1.232616e-05 ; 3.473207e-01 -1.232616e-05 2.770399e-01 3.470369e-01 0.000485 0.000060 True native_MD 6 290 299 - CA_AB42_33 C_AB42_34 1 0.000000e+00 6.333796e-06 ; 3.285744e-01 -6.333796e-06 9.999962e-01 9.999702e-01 0.000485 0.000060 True native_MD 4 290 300 - CA_AB42_33 O_AB42_34 1 0.000000e+00 2.682277e-06 ; 3.058701e-01 -2.682277e-06 9.012408e-02 4.208453e-01 0.000485 0.000060 True native_MD 5 290 301 - CA_AB42_33 N_AB42_35 1 0.000000e+00 2.195008e-06 ; 3.008024e-01 -2.195008e-06 8.503044e-01 4.474097e-01 0.000485 0.000060 True native_MD 5 290 302 - CA_AB42_33 CA_AB42_35 1 0.000000e+00 1.900987e-05 ; 3.600891e-01 -1.900987e-05 8.153532e-01 4.128912e-01 0.000485 0.000060 True native_MD 6 290 304 + CA_AB42_33 N_AB42_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 290 293 + CA_AB42_33 CB_AB42_34 1 0.000000e+00 1.543860e-05 ; 3.538987e-01 -1.543860e-05 1.000000e+00 9.999966e-01 0.000485 0.000060 True native_MD 4 290 296 + CA_AB42_33 CG_AB42_34 1 0.000000e+00 4.065224e-05 ; 3.836354e-01 -4.065224e-05 6.023166e-01 8.801457e-01 0.000485 0.000060 True native_MD 5 290 297 + CA_AB42_33 CD1_AB42_34 1 0.000000e+00 1.231450e-05 ; 3.472933e-01 -1.231450e-05 2.212572e-02 9.112291e-02 0.000485 0.000060 True native_MD 6 290 298 + CA_AB42_33 CD2_AB42_34 1 0.000000e+00 1.232601e-05 ; 3.473203e-01 -1.232601e-05 2.770399e-01 3.470369e-01 0.000485 0.000060 True native_MD 6 290 299 + CA_AB42_33 C_AB42_34 1 0.000000e+00 6.333690e-06 ; 3.285739e-01 -6.333690e-06 9.999962e-01 9.999702e-01 0.000485 0.000060 True native_MD 4 290 300 + CA_AB42_33 O_AB42_34 1 0.000000e+00 2.682267e-06 ; 3.058700e-01 -2.682267e-06 9.012408e-02 4.208453e-01 0.000485 0.000060 True native_MD 5 290 301 + CA_AB42_33 N_AB42_35 1 0.000000e+00 2.194979e-06 ; 3.008021e-01 -2.194979e-06 8.503044e-01 4.474097e-01 0.000485 0.000060 True native_MD 5 290 302 + CA_AB42_33 CA_AB42_35 1 0.000000e+00 1.900979e-05 ; 3.600889e-01 -1.900979e-05 8.153532e-01 4.128912e-01 0.000485 0.000060 True native_MD 6 290 304 CA_AB42_33 CB_AB42_35 1 6.476166e-03 9.481597e-05 ; 4.946074e-01 1.105846e-01 1.389265e-01 1.011817e-01 0.000485 0.001190 True native_MD 7 290 305 CA_AB42_33 CG_AB42_35 1 2.891838e-03 2.462689e-05 ; 4.518968e-01 8.489429e-02 7.129180e-02 1.120068e-01 0.000485 0.001190 True native_MD 7 290 306 CA_AB42_33 SD_AB42_35 1 8.886383e-04 1.550167e-06 ; 3.469569e-01 1.273537e-01 3.694010e-02 2.167565e-02 0.000485 0.001584 True native_MD 7 290 307 CA_AB42_33 CE_AB42_35 1 1.342150e-03 3.646295e-06 ; 3.735440e-01 1.235066e-01 4.504849e-02 4.366642e-02 0.000485 0.002332 True native_MD 7 290 308 CA_AB42_33 C_AB42_35 1 4.946871e-03 4.638519e-05 ; 4.592066e-01 1.318930e-01 7.700002e-02 3.944196e-02 0.000485 0.001584 True native_MD 7 290 309 - CA_AB42_33 O_AB42_35 1 0.000000e+00 2.110688e-06 ; 2.998221e-01 -2.110688e-06 1.685932e-02 6.400599e-02 0.000485 0.001584 True native_MD 7 290 310 + CA_AB42_33 O_AB42_35 1 0.000000e+00 2.110680e-06 ; 2.998220e-01 -2.110680e-06 1.685932e-02 6.400599e-02 0.000485 0.001584 True native_MD 7 290 310 CA_AB42_33 N_AB42_36 1 3.298217e-03 1.482493e-05 ; 4.062427e-01 1.834450e-01 5.200157e-01 5.694894e-02 0.000485 0.001584 True native_MD 7 290 311 CA_AB42_33 CA_AB42_36 1 6.060095e-03 5.832814e-05 ; 4.612111e-01 1.574058e-01 6.610338e-01 1.017148e-01 0.000485 0.001021 True native_MD 7 290 313 CA_AB42_33 CB_AB42_36 1 2.393524e-03 9.296389e-06 ; 3.964722e-01 1.540641e-01 6.806711e-01 1.157521e-01 0.000485 0.001021 True native_MD 7 290 314 @@ -49100,24 +49100,24 @@ CG2_AB42_32 O2_AB42_42 1 0.000000e+00 1.215605e-06 ; 2.863482e-01 -1.215605 CA_AB42_33 C_AB42_42 1 2.406903e-03 1.403417e-05 ; 4.242495e-01 1.031978e-01 1.310119e-03 1.529176e-03 0.000485 0.001584 True native_MD 7 290 358 CA_AB42_33 O1_AB42_42 1 4.551125e-04 6.269846e-07 ; 3.335721e-01 8.258869e-02 7.070680e-04 9.538654e-04 0.000485 0.001584 True native_MD 7 290 359 CA_AB42_33 O2_AB42_42 1 4.551125e-04 6.269846e-07 ; 3.335721e-01 8.258869e-02 7.070680e-04 9.538654e-04 0.000485 0.001584 True native_MD 7 290 360 - C_AB42_33 CB_AB42_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 291 296 - C_AB42_33 CG_AB42_34 1 0.000000e+00 1.305193e-05 ; 3.489805e-01 -1.305193e-05 9.999938e-01 9.999986e-01 0.000485 0.000060 True native_MD 4 291 297 - C_AB42_33 CD1_AB42_34 1 0.000000e+00 5.472678e-06 ; 3.245974e-01 -5.472678e-06 1.981354e-01 3.561006e-01 0.000485 0.000060 True native_MD 5 291 298 - C_AB42_33 CD2_AB42_34 1 0.000000e+00 5.793102e-06 ; 3.261402e-01 -5.793102e-06 4.783923e-01 7.041563e-01 0.000485 0.000060 True native_MD 5 291 299 - C_AB42_33 O_AB42_34 1 0.000000e+00 8.105309e-07 ; 2.768381e-01 -8.105309e-07 9.472507e-01 9.274042e-01 0.000485 0.000060 True native_MD 4 291 301 - C_AB42_33 N_AB42_35 1 0.000000e+00 1.491665e-06 ; 2.912735e-01 -1.491665e-06 9.983192e-01 9.873891e-01 0.000485 0.000060 True native_MD 4 291 302 - C_AB42_33 CA_AB42_35 1 0.000000e+00 1.194925e-05 ; 3.464230e-01 -1.194925e-05 9.786478e-01 8.941686e-01 0.000485 0.000060 True native_MD 5 291 304 - C_AB42_33 CB_AB42_35 1 0.000000e+00 6.124408e-06 ; 3.276552e-01 -6.124408e-06 2.453180e-01 2.122340e-01 0.000485 0.000060 True native_MD 6 291 305 - C_AB42_33 CG_AB42_35 1 0.000000e+00 6.988736e-06 ; 3.312797e-01 -6.988736e-06 8.725797e-02 1.906333e-01 0.000485 0.000060 True native_MD 7 291 306 + C_AB42_33 CB_AB42_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 291 296 + C_AB42_33 CG_AB42_34 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 9.999938e-01 9.999986e-01 0.000485 0.000060 True native_MD 4 291 297 + C_AB42_33 CD1_AB42_34 1 0.000000e+00 5.472606e-06 ; 3.245970e-01 -5.472606e-06 1.981354e-01 3.561006e-01 0.000485 0.000060 True native_MD 5 291 298 + C_AB42_33 CD2_AB42_34 1 0.000000e+00 5.793027e-06 ; 3.261398e-01 -5.793027e-06 4.783923e-01 7.041563e-01 0.000485 0.000060 True native_MD 5 291 299 + C_AB42_33 O_AB42_34 1 0.000000e+00 8.105272e-07 ; 2.768380e-01 -8.105272e-07 9.472507e-01 9.274042e-01 0.000485 0.000060 True native_MD 4 291 301 + C_AB42_33 N_AB42_35 1 0.000000e+00 1.491644e-06 ; 2.912731e-01 -1.491644e-06 9.983192e-01 9.873891e-01 0.000485 0.000060 True native_MD 4 291 302 + C_AB42_33 CA_AB42_35 1 0.000000e+00 1.194919e-05 ; 3.464229e-01 -1.194919e-05 9.786478e-01 8.941686e-01 0.000485 0.000060 True native_MD 5 291 304 + C_AB42_33 CB_AB42_35 1 0.000000e+00 6.124305e-06 ; 3.276547e-01 -6.124305e-06 2.453180e-01 2.122340e-01 0.000485 0.000060 True native_MD 6 291 305 + C_AB42_33 CG_AB42_35 1 0.000000e+00 6.988619e-06 ; 3.312793e-01 -6.988619e-06 8.725797e-02 1.906333e-01 0.000485 0.000060 True native_MD 7 291 306 C_AB42_33 SD_AB42_35 1 8.394515e-04 1.331334e-06 ; 3.414931e-01 1.323257e-01 4.017343e-02 2.778000e-02 0.000485 0.002166 True native_MD 7 291 307 - C_AB42_33 CE_AB42_35 1 0.000000e+00 4.731551e-06 ; 3.206850e-01 -4.731551e-06 3.602112e-02 3.717113e-02 0.000485 0.000060 True native_MD 7 291 308 - C_AB42_33 C_AB42_35 1 0.000000e+00 1.719491e-06 ; 2.947440e-01 -1.719491e-06 4.839991e-01 1.457059e-01 0.000485 0.000060 True native_MD 6 291 309 + C_AB42_33 CE_AB42_35 1 0.000000e+00 4.731489e-06 ; 3.206846e-01 -4.731489e-06 3.602112e-02 3.717113e-02 0.000485 0.000060 True native_MD 7 291 308 + C_AB42_33 C_AB42_35 1 0.000000e+00 1.719461e-06 ; 2.947436e-01 -1.719461e-06 4.839991e-01 1.457059e-01 0.000485 0.000060 True native_MD 6 291 309 C_AB42_33 O_AB42_35 1 6.010376e-04 1.151222e-06 ; 3.524057e-01 7.844843e-02 2.905460e-02 1.007473e-01 0.000485 0.002166 True native_MD 7 291 310 C_AB42_33 N_AB42_36 1 1.206592e-03 2.018544e-06 ; 3.445453e-01 1.803112e-01 6.594305e-01 1.084692e-01 0.000485 0.002166 True native_MD 7 291 311 C_AB42_33 CA_AB42_36 1 3.422940e-03 1.803536e-05 ; 4.171455e-01 1.624104e-01 6.871091e-01 1.193628e-01 0.000485 0.001339 True native_MD 7 291 313 - C_AB42_33 CB_AB42_36 1 0.000000e+00 6.224391e-06 ; 3.280976e-01 -6.224391e-06 6.299295e-01 1.068262e-01 0.000485 0.000060 True native_MD 7 291 314 - C_AB42_33 CG1_AB42_36 1 0.000000e+00 4.417924e-06 ; 3.188574e-01 -4.417924e-06 1.090083e-01 4.379800e-02 0.000485 0.000060 True native_MD 7 291 315 - C_AB42_33 CG2_AB42_36 1 0.000000e+00 2.644759e-06 ; 3.055112e-01 -2.644759e-06 5.287009e-01 8.830611e-02 0.000485 0.000060 True native_MD 7 291 316 + C_AB42_33 CB_AB42_36 1 0.000000e+00 6.224359e-06 ; 3.280975e-01 -6.224359e-06 6.299295e-01 1.068262e-01 0.000485 0.000060 True native_MD 7 291 314 + C_AB42_33 CG1_AB42_36 1 0.000000e+00 4.417867e-06 ; 3.188571e-01 -4.417867e-06 1.090083e-01 4.379800e-02 0.000485 0.000060 True native_MD 7 291 315 + C_AB42_33 CG2_AB42_36 1 0.000000e+00 2.644724e-06 ; 3.055109e-01 -2.644724e-06 5.287009e-01 8.830611e-02 0.000485 0.000060 True native_MD 7 291 316 C_AB42_33 C_AB42_36 1 4.157632e-03 2.131910e-05 ; 4.152604e-01 2.027044e-01 2.889317e-01 2.431583e-02 0.000485 0.002166 True native_MD 7 291 317 C_AB42_33 O_AB42_36 1 7.989969e-04 9.176955e-07 ; 3.236127e-01 1.739128e-01 1.563539e-01 3.114646e-02 0.000485 0.002166 True native_MD 7 291 318 C_AB42_33 N_AB42_37 1 1.759836e-03 3.754162e-06 ; 3.587899e-01 2.062392e-01 3.182874e-01 2.409791e-02 0.000485 0.002166 True native_MD 7 291 319 @@ -49130,9 +49130,9 @@ CG2_AB42_32 O2_AB42_42 1 0.000000e+00 1.215605e-06 ; 2.863482e-01 -1.215605 C_AB42_33 O_AB42_38 1 4.993004e-04 3.826556e-07 ; 3.025109e-01 1.628755e-01 7.814879e-03 1.600136e-03 0.000485 0.002166 True native_MD 7 291 328 C_AB42_33 N_AB42_39 1 1.427729e-03 2.706326e-06 ; 3.517945e-01 1.883004e-01 1.672480e-02 5.701542e-04 0.000485 0.002166 True native_MD 7 291 329 C_AB42_33 CA_AB42_39 1 3.473521e-03 1.618897e-05 ; 4.087034e-01 1.863205e-01 3.433803e-02 2.916534e-03 0.000485 0.001339 True native_MD 7 291 331 - C_AB42_33 CB_AB42_39 1 0.000000e+00 1.273079e-05 ; 3.482568e-01 -1.273079e-05 3.334833e-02 8.748305e-03 0.000485 0.000060 True native_MD 7 291 332 - C_AB42_33 CG1_AB42_39 1 0.000000e+00 4.680657e-06 ; 3.203961e-01 -4.680657e-06 1.679978e-02 7.181180e-03 0.000485 0.000060 True native_MD 7 291 333 - C_AB42_33 CG2_AB42_39 1 0.000000e+00 4.669723e-06 ; 3.203337e-01 -4.669723e-06 2.215186e-02 1.021973e-02 0.000485 0.000060 True native_MD 7 291 334 + C_AB42_33 CB_AB42_39 1 0.000000e+00 1.273072e-05 ; 3.482567e-01 -1.273072e-05 3.334833e-02 8.748305e-03 0.000485 0.000060 True native_MD 7 291 332 + C_AB42_33 CG1_AB42_39 1 0.000000e+00 4.680596e-06 ; 3.203958e-01 -4.680596e-06 1.679978e-02 7.181180e-03 0.000485 0.000060 True native_MD 7 291 333 + C_AB42_33 CG2_AB42_39 1 0.000000e+00 4.669662e-06 ; 3.203333e-01 -4.669662e-06 2.215186e-02 1.021973e-02 0.000485 0.000060 True native_MD 7 291 334 C_AB42_33 C_AB42_39 1 3.040242e-03 1.170449e-05 ; 3.958896e-01 1.974258e-01 2.197662e-02 2.839218e-04 0.000485 0.002166 True native_MD 7 291 335 C_AB42_33 O_AB42_39 1 6.764778e-04 5.964510e-07 ; 3.096612e-01 1.918105e-01 1.857722e-02 7.980040e-04 0.000485 0.002166 True native_MD 7 291 336 C_AB42_33 N_AB42_40 1 1.581011e-03 3.391774e-06 ; 3.591275e-01 1.842395e-01 1.481095e-02 1.031089e-04 0.000485 0.002166 True native_MD 7 291 337 @@ -49146,26 +49146,26 @@ CG2_AB42_32 O2_AB42_42 1 0.000000e+00 1.215605e-06 ; 2.863482e-01 -1.215605 C_AB42_33 CA_AB42_41 1 4.684937e-03 2.888298e-05 ; 4.282096e-01 1.899789e-01 1.758638e-02 7.866740e-04 0.000485 0.001339 True native_MD 7 291 347 C_AB42_33 CB_AB42_41 1 1.324339e-03 5.799803e-06 ; 4.044849e-01 7.560054e-02 1.983202e-02 2.064486e-03 0.000485 0.000060 True native_MD 7 291 348 C_AB42_33 CG1_AB42_41 1 7.458379e-04 1.902310e-06 ; 3.696348e-01 7.310508e-02 1.784794e-02 2.002008e-03 0.000485 0.000060 True native_MD 7 291 349 - C_AB42_33 CG2_AB42_41 1 0.000000e+00 4.690319e-06 ; 3.204512e-01 -4.690319e-06 1.008405e-02 2.509905e-03 0.000485 0.000060 True native_MD 7 291 350 - C_AB42_33 CD_AB42_41 1 0.000000e+00 4.658083e-06 ; 3.202671e-01 -4.658083e-06 1.921880e-02 4.823676e-03 0.000485 0.000060 True native_MD 7 291 351 + C_AB42_33 CG2_AB42_41 1 0.000000e+00 4.690258e-06 ; 3.204508e-01 -4.690258e-06 1.008405e-02 2.509905e-03 0.000485 0.000060 True native_MD 7 291 350 + C_AB42_33 CD_AB42_41 1 0.000000e+00 4.658022e-06 ; 3.202667e-01 -4.658022e-06 1.921880e-02 4.823676e-03 0.000485 0.000060 True native_MD 7 291 351 C_AB42_33 C_AB42_41 1 2.578576e-03 1.055312e-05 ; 3.999449e-01 1.575138e-01 6.656385e-03 4.995936e-05 0.000485 0.002166 True native_MD 7 291 352 C_AB42_33 O_AB42_41 1 8.129678e-04 9.303539e-07 ; 3.234167e-01 1.775982e-01 1.214137e-02 1.376708e-04 0.000485 0.002166 True native_MD 7 291 353 C_AB42_33 N_AB42_42 1 1.030050e-03 2.696929e-06 ; 3.712518e-01 9.835296e-02 1.133298e-03 5.994906e-05 0.000485 0.002166 True native_MD 7 291 354 C_AB42_33 CA_AB42_42 1 3.367239e-03 1.852218e-05 ; 4.201487e-01 1.530367e-01 5.821708e-03 1.260392e-03 0.000485 0.001339 True native_MD 7 291 356 - C_AB42_33 CB_AB42_42 1 0.000000e+00 4.705621e-06 ; 3.205382e-01 -4.705621e-06 5.915227e-03 1.578713e-03 0.000485 0.000060 True native_MD 7 291 357 + C_AB42_33 CB_AB42_42 1 0.000000e+00 4.705559e-06 ; 3.205378e-01 -4.705559e-06 5.915227e-03 1.578713e-03 0.000485 0.000060 True native_MD 7 291 357 O_AB42_33 O_AB42_33 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 292 O_AB42_33 H_AB42_34 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 294 - O_AB42_33 CB_AB42_34 1 0.000000e+00 2.015615e-06 ; 2.986728e-01 -2.015615e-06 9.999979e-01 9.999772e-01 0.000485 0.000060 True native_MD 4 292 296 - O_AB42_33 CG_AB42_34 1 0.000000e+00 5.279919e-06 ; 3.236289e-01 -5.279919e-06 6.104798e-01 8.816790e-01 0.000485 0.000060 True native_MD 5 292 297 + O_AB42_33 CB_AB42_34 1 0.000000e+00 2.015607e-06 ; 2.986727e-01 -2.015607e-06 9.999979e-01 9.999772e-01 0.000485 0.000060 True native_MD 4 292 296 + O_AB42_33 CG_AB42_34 1 0.000000e+00 5.279961e-06 ; 3.236291e-01 -5.279961e-06 6.104798e-01 8.816790e-01 0.000485 0.000060 True native_MD 5 292 297 O_AB42_33 CD1_AB42_34 1 0.000000e+00 1.639793e-06 ; 2.935807e-01 -1.639793e-06 4.117311e-02 1.314673e-01 0.000485 0.000060 True native_MD 6 292 298 O_AB42_33 CD2_AB42_34 1 0.000000e+00 1.713490e-06 ; 2.946582e-01 -1.713490e-06 2.432359e-01 3.825306e-01 0.000485 0.000060 True native_MD 6 292 299 - O_AB42_33 C_AB42_34 1 0.000000e+00 8.255396e-07 ; 2.772617e-01 -8.255396e-07 9.999770e-01 9.982801e-01 0.000485 0.000060 True native_MD 4 292 300 + O_AB42_33 C_AB42_34 1 0.000000e+00 8.255358e-07 ; 2.772616e-01 -8.255358e-07 9.999770e-01 9.982801e-01 0.000485 0.000060 True native_MD 4 292 300 O_AB42_33 O_AB42_34 1 0.000000e+00 1.420445e-06 ; 2.900884e-01 -1.420445e-06 9.538516e-01 9.008148e-01 0.000485 0.000060 True native_MD 5 292 301 O_AB42_33 N_AB42_35 1 0.000000e+00 1.449992e-06 ; 2.905865e-01 -1.449992e-06 9.741723e-01 9.408339e-01 0.000485 0.000060 True native_MD 5 292 302 - O_AB42_33 H_AB42_35 1 0.000000e+00 1.511379e-08 ; 1.986595e-01 -1.511379e-08 1.713566e-01 1.454216e-01 0.000485 0.000060 True native_MD 6 292 303 - O_AB42_33 CA_AB42_35 1 0.000000e+00 3.403340e-06 ; 3.119994e-01 -3.403340e-06 7.666314e-01 5.860234e-01 0.000485 0.000060 True native_MD 6 292 304 + O_AB42_33 H_AB42_35 1 0.000000e+00 1.511403e-08 ; 1.986598e-01 -1.511403e-08 1.713566e-01 1.454216e-01 0.000485 0.000060 True native_MD 6 292 303 + O_AB42_33 CA_AB42_35 1 0.000000e+00 3.403367e-06 ; 3.119996e-01 -3.403367e-06 7.666314e-01 5.860234e-01 0.000485 0.000060 True native_MD 6 292 304 O_AB42_33 CB_AB42_35 1 8.831820e-04 2.669336e-06 ; 3.802409e-01 7.305284e-02 5.289424e-02 1.184763e-01 0.000485 0.001191 True native_MD 7 292 305 - O_AB42_33 CG_AB42_35 1 0.000000e+00 2.266305e-06 ; 3.016048e-01 -2.266305e-06 5.442102e-02 1.787719e-01 0.000485 0.001191 True native_MD 7 292 306 + O_AB42_33 CG_AB42_35 1 0.000000e+00 2.266297e-06 ; 3.016047e-01 -2.266297e-06 5.442102e-02 1.787719e-01 0.000485 0.001191 True native_MD 7 292 306 O_AB42_33 SD_AB42_35 1 5.352972e-04 6.695450e-07 ; 3.282445e-01 1.069917e-01 2.840704e-02 4.192649e-02 0.000485 0.002166 True native_MD 7 292 307 O_AB42_33 CE_AB42_35 1 2.842468e-04 2.725340e-07 ; 3.140177e-01 7.411574e-02 2.428341e-02 5.268885e-02 0.000485 0.001191 True native_MD 7 292 308 O_AB42_33 C_AB42_35 1 1.574146e-03 3.640896e-06 ; 3.636586e-01 1.701459e-01 3.046370e-01 6.792651e-02 0.000485 0.002166 True native_MD 7 292 309 @@ -49219,25 +49219,25 @@ CG2_AB42_32 O2_AB42_42 1 0.000000e+00 1.215605e-06 ; 2.863482e-01 -1.215605 O_AB42_33 CB_AB42_42 1 4.090432e-04 3.109940e-07 ; 3.021091e-01 1.345013e-01 4.409901e-03 1.570462e-03 0.000485 0.001191 True native_MD 7 292 357 O_AB42_33 O1_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 359 O_AB42_33 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 360 - N_AB42_34 CB_AB42_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 296 - N_AB42_34 CG_AB42_34 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 297 - N_AB42_34 CD1_AB42_34 1 0.000000e+00 2.741636e-06 ; 3.064285e-01 -2.741636e-06 9.978761e-01 9.974057e-01 0.000485 0.000060 True native_MD 4 293 298 - N_AB42_34 CD2_AB42_34 1 0.000000e+00 2.977287e-06 ; 3.085414e-01 -2.977287e-06 8.307763e-01 9.162181e-01 0.000485 0.000060 True native_MD 4 293 299 - N_AB42_34 CA_AB42_35 1 0.000000e+00 7.574749e-06 ; 3.335101e-01 -7.574749e-06 1.000000e+00 9.999675e-01 0.000485 0.000060 True native_MD 4 293 304 - N_AB42_34 CB_AB42_35 1 0.000000e+00 2.640832e-06 ; 3.054734e-01 -2.640832e-06 5.761025e-01 2.944849e-01 0.000485 0.000060 True native_MD 5 293 305 - N_AB42_34 CG_AB42_35 1 0.000000e+00 3.474566e-06 ; 3.125384e-01 -3.474566e-06 2.219744e-01 1.671563e-01 0.000485 0.000060 True native_MD 6 293 306 + N_AB42_34 CB_AB42_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 296 + N_AB42_34 CG_AB42_34 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 297 + N_AB42_34 CD1_AB42_34 1 0.000000e+00 2.741610e-06 ; 3.064283e-01 -2.741610e-06 9.978761e-01 9.974057e-01 0.000485 0.000060 True native_MD 4 293 298 + N_AB42_34 CD2_AB42_34 1 0.000000e+00 2.977259e-06 ; 3.085411e-01 -2.977259e-06 8.307763e-01 9.162181e-01 0.000485 0.000060 True native_MD 4 293 299 + N_AB42_34 CA_AB42_35 1 0.000000e+00 7.574737e-06 ; 3.335101e-01 -7.574737e-06 1.000000e+00 9.999675e-01 0.000485 0.000060 True native_MD 4 293 304 + N_AB42_34 CB_AB42_35 1 0.000000e+00 2.640798e-06 ; 3.054731e-01 -2.640798e-06 5.761025e-01 2.944849e-01 0.000485 0.000060 True native_MD 5 293 305 + N_AB42_34 CG_AB42_35 1 0.000000e+00 3.474520e-06 ; 3.125381e-01 -3.474520e-06 2.219744e-01 1.671563e-01 0.000485 0.000060 True native_MD 6 293 306 N_AB42_34 SD_AB42_35 1 1.155181e-03 2.141210e-06 ; 3.504840e-01 1.558048e-01 3.888892e-02 1.331914e-02 0.000485 0.002166 True native_MD 7 293 307 - N_AB42_34 CE_AB42_35 1 0.000000e+00 2.719858e-06 ; 3.062249e-01 -2.719858e-06 1.699377e-02 8.583569e-03 0.000485 0.000060 True native_MD 7 293 308 - N_AB42_34 C_AB42_35 1 0.000000e+00 1.255366e-06 ; 2.871172e-01 -1.255366e-06 2.548350e-01 8.722399e-02 0.000485 0.000060 True native_MD 5 293 309 + N_AB42_34 CE_AB42_35 1 0.000000e+00 2.719832e-06 ; 3.062247e-01 -2.719832e-06 1.699377e-02 8.583569e-03 0.000485 0.000060 True native_MD 7 293 308 + N_AB42_34 C_AB42_35 1 0.000000e+00 1.255349e-06 ; 2.871169e-01 -1.255349e-06 2.548350e-01 8.722399e-02 0.000485 0.000060 True native_MD 5 293 309 N_AB42_34 O_AB42_35 1 0.000000e+00 1.610177e-06 ; 2.931351e-01 -1.610177e-06 5.954642e-02 1.329977e-01 0.000485 0.000060 True native_MD 6 293 310 - N_AB42_34 N_AB42_36 1 0.000000e+00 5.361873e-07 ; 2.674677e-01 -5.361873e-07 4.431493e-01 5.572898e-02 0.000485 0.000060 True native_MD 6 293 311 + N_AB42_34 N_AB42_36 1 0.000000e+00 5.361817e-07 ; 2.674675e-01 -5.361817e-07 4.431493e-01 5.572898e-02 0.000485 0.000060 True native_MD 6 293 311 N_AB42_34 CA_AB42_36 1 7.134316e-03 6.976987e-05 ; 4.624370e-01 1.823798e-01 2.824597e-01 2.699415e-02 0.000485 0.001339 True native_MD 7 293 313 N_AB42_34 CB_AB42_36 1 2.581729e-03 2.183637e-05 ; 4.513827e-01 7.630991e-02 2.241515e-01 2.284374e-02 0.000485 0.000060 True native_MD 7 293 314 - N_AB42_34 CG1_AB42_36 1 0.000000e+00 2.679855e-06 ; 3.058470e-01 -2.679855e-06 3.603766e-02 1.304357e-02 0.000485 0.000060 True native_MD 7 293 315 - N_AB42_34 CG2_AB42_36 1 0.000000e+00 2.357365e-06 ; 3.025965e-01 -2.357365e-06 1.743257e-01 3.375991e-02 0.000485 0.000060 True native_MD 7 293 316 + N_AB42_34 CG1_AB42_36 1 0.000000e+00 2.679830e-06 ; 3.058468e-01 -2.679830e-06 3.603766e-02 1.304357e-02 0.000485 0.000060 True native_MD 7 293 315 + N_AB42_34 CG2_AB42_36 1 0.000000e+00 2.357342e-06 ; 3.025963e-01 -2.357342e-06 1.743257e-01 3.375991e-02 0.000485 0.000060 True native_MD 7 293 316 N_AB42_34 C_AB42_36 1 1.877974e-03 7.991871e-06 ; 4.025561e-01 1.103242e-01 1.621551e-03 9.885876e-04 0.000485 0.002166 True native_MD 7 293 317 N_AB42_34 O_AB42_36 1 1.642767e-03 4.239125e-06 ; 3.703537e-01 1.591533e-01 5.899912e-02 1.828000e-02 0.000485 0.002166 True native_MD 7 293 318 - N_AB42_34 N_AB42_37 1 0.000000e+00 8.598838e-07 ; 2.782050e-01 -8.598838e-07 2.074708e-02 3.141297e-03 0.000485 0.000060 True native_MD 7 293 319 + N_AB42_34 N_AB42_37 1 0.000000e+00 8.598747e-07 ; 2.782048e-01 -8.598747e-07 2.074708e-02 3.141297e-03 0.000485 0.000060 True native_MD 7 293 319 N_AB42_34 CA_AB42_37 1 3.370069e-03 1.841099e-05 ; 4.196685e-01 1.542199e-01 2.462312e-02 6.466083e-03 0.000485 0.001584 True native_MD 7 293 321 N_AB42_34 C_AB42_37 1 9.961183e-04 2.362096e-06 ; 3.651723e-01 1.050181e-01 1.383468e-03 9.982404e-04 0.000485 0.002166 True native_MD 7 293 322 N_AB42_34 O_AB42_37 1 1.258200e-03 2.689574e-06 ; 3.589128e-01 1.471486e-01 6.068551e-03 2.693005e-03 0.000485 0.002166 True native_MD 7 293 323 @@ -49247,9 +49247,9 @@ CG2_AB42_32 O2_AB42_42 1 0.000000e+00 1.215605e-06 ; 2.863482e-01 -1.215605 N_AB42_34 O_AB42_38 1 1.180351e-03 2.227061e-06 ; 3.515228e-01 1.563976e-01 6.437707e-03 1.009304e-03 0.000485 0.002166 True native_MD 7 293 328 N_AB42_34 N_AB42_39 1 1.436992e-03 3.438532e-06 ; 3.657237e-01 1.501328e-01 5.515954e-03 6.171560e-05 0.000485 0.000060 True native_MD 7 293 329 N_AB42_34 CA_AB42_39 1 5.039683e-03 3.214041e-05 ; 4.306337e-01 1.975582e-01 2.206387e-02 5.040334e-04 0.000485 0.001339 True native_MD 7 293 331 - N_AB42_34 CB_AB42_39 1 0.000000e+00 7.509635e-06 ; 3.332703e-01 -7.509635e-06 1.082818e-02 2.199866e-03 0.000485 0.000060 True native_MD 7 293 332 - N_AB42_34 CG1_AB42_39 1 0.000000e+00 2.734995e-06 ; 3.063666e-01 -2.734995e-06 5.504428e-03 2.612941e-03 0.000485 0.000060 True native_MD 7 293 333 - N_AB42_34 CG2_AB42_39 1 0.000000e+00 2.732750e-06 ; 3.063456e-01 -2.732750e-06 7.702206e-03 3.992299e-03 0.000485 0.000060 True native_MD 7 293 334 + N_AB42_34 CB_AB42_39 1 0.000000e+00 7.509624e-06 ; 3.332702e-01 -7.509624e-06 1.082818e-02 2.199866e-03 0.000485 0.000060 True native_MD 7 293 332 + N_AB42_34 CG1_AB42_39 1 0.000000e+00 2.734969e-06 ; 3.063663e-01 -2.734969e-06 5.504428e-03 2.612941e-03 0.000485 0.000060 True native_MD 7 293 333 + N_AB42_34 CG2_AB42_39 1 0.000000e+00 2.732724e-06 ; 3.063454e-01 -2.732724e-06 7.702206e-03 3.992299e-03 0.000485 0.000060 True native_MD 7 293 334 N_AB42_34 C_AB42_39 1 1.174628e-03 2.020621e-06 ; 3.461498e-01 1.707088e-01 9.879369e-03 2.306108e-04 0.000485 0.002166 True native_MD 7 293 335 N_AB42_34 O_AB42_39 1 1.847783e-04 4.674140e-08 ; 2.514829e-01 1.826167e-01 1.410884e-02 7.553751e-04 0.000485 0.002166 True native_MD 7 293 336 N_AB42_34 N_AB42_40 1 1.422218e-03 3.486893e-06 ; 3.672080e-01 1.450219e-01 4.580202e-03 0.000000e+00 0.000485 0.000060 True native_MD 7 293 337 @@ -49263,15 +49263,15 @@ CG2_AB42_32 O2_AB42_42 1 0.000000e+00 1.215605e-06 ; 2.863482e-01 -1.215605 N_AB42_34 CA_AB42_41 1 4.474815e-03 2.810294e-05 ; 4.295326e-01 1.781306e-01 1.233638e-02 1.733325e-04 0.000485 0.001339 True native_MD 7 293 347 N_AB42_34 CB_AB42_41 1 2.408648e-03 1.294823e-05 ; 4.185424e-01 1.120150e-01 1.562171e-02 5.468981e-04 0.000485 0.000060 True native_MD 7 293 348 N_AB42_34 CG1_AB42_41 1 1.581383e-03 5.799987e-06 ; 3.927037e-01 1.077921e-01 1.106687e-02 4.396291e-04 0.000485 0.000060 True native_MD 7 293 349 - N_AB42_34 CG2_AB42_41 1 0.000000e+00 2.732530e-06 ; 3.063436e-01 -2.732530e-06 4.756623e-03 9.664288e-04 0.000485 0.000060 True native_MD 7 293 350 - N_AB42_34 CD_AB42_41 1 0.000000e+00 2.717977e-06 ; 3.062073e-01 -2.717977e-06 1.115319e-02 2.057354e-03 0.000485 0.000060 True native_MD 7 293 351 + N_AB42_34 CG2_AB42_41 1 0.000000e+00 2.732504e-06 ; 3.063433e-01 -2.732504e-06 4.756623e-03 9.664288e-04 0.000485 0.000060 True native_MD 7 293 350 + N_AB42_34 CD_AB42_41 1 0.000000e+00 2.717951e-06 ; 3.062070e-01 -2.717951e-06 1.115319e-02 2.057354e-03 0.000485 0.000060 True native_MD 7 293 351 N_AB42_34 C_AB42_41 1 1.173532e-03 2.486177e-06 ; 3.583765e-01 1.384835e-01 3.766232e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 293 352 N_AB42_34 O_AB42_41 1 2.399572e-04 8.041056e-08 ; 2.635501e-01 1.790171e-01 1.266804e-02 2.224937e-04 0.000485 0.002166 True native_MD 7 293 353 N_AB42_34 N_AB42_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.312883e-04 4.011063e-05 0.000485 0.000060 True native_MD 7 293 354 N_AB42_34 CA_AB42_42 1 2.570683e-03 1.342552e-05 ; 4.165308e-01 1.230569e-01 2.373629e-03 2.794866e-04 0.000485 0.001339 True native_MD 7 293 356 - N_AB42_34 CB_AB42_42 1 0.000000e+00 2.736016e-06 ; 3.063761e-01 -2.736016e-06 3.105088e-03 5.858745e-04 0.000485 0.000060 True native_MD 7 293 357 + N_AB42_34 CB_AB42_42 1 0.000000e+00 2.735990e-06 ; 3.063759e-01 -2.735990e-06 3.105088e-03 5.858745e-04 0.000485 0.000060 True native_MD 7 293 357 H_AB42_34 H_AB42_34 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 294 294 - H_AB42_34 O_AB42_34 1 0.000000e+00 1.973312e-08 ; 2.031240e-01 -1.973312e-08 9.984311e-02 3.716187e-01 0.000485 0.000060 True native_MD 4 294 301 + H_AB42_34 O_AB42_34 1 0.000000e+00 1.973344e-08 ; 2.031243e-01 -1.973344e-08 9.984311e-02 3.716187e-01 0.000485 0.000060 True native_MD 4 294 301 H_AB42_34 H_AB42_35 1 0.000000e+00 7.148198e-09 ; 1.866429e-01 -7.148198e-09 7.992094e-01 3.948926e-01 0.000485 0.000060 True native_MD 5 294 303 H_AB42_34 O_AB42_35 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 294 310 H_AB42_34 H_AB42_36 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 294 312 @@ -49289,14 +49289,14 @@ CG2_AB42_32 O2_AB42_42 1 0.000000e+00 1.215605e-06 ; 2.863482e-01 -1.215605 H_AB42_34 H_AB42_42 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 294 355 H_AB42_34 O1_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 294 359 H_AB42_34 O2_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 294 360 - CA_AB42_34 CB_AB42_35 1 0.000000e+00 3.181368e-05 ; 3.758773e-01 -3.181368e-05 9.999993e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 295 305 - CA_AB42_34 CG_AB42_35 1 0.000000e+00 3.433139e-05 ; 3.782706e-01 -3.433139e-05 7.873217e-01 8.664620e-01 0.000485 0.000060 True native_MD 5 295 306 - CA_AB42_34 SD_AB42_35 1 0.000000e+00 1.096583e-05 ; 3.439525e-01 -1.096583e-05 2.930816e-01 1.136760e-01 0.000485 0.000060 True native_MD 6 295 307 + CA_AB42_34 CB_AB42_35 1 0.000000e+00 3.181354e-05 ; 3.758772e-01 -3.181354e-05 9.999993e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 295 305 + CA_AB42_34 CG_AB42_35 1 0.000000e+00 3.433125e-05 ; 3.782705e-01 -3.433125e-05 7.873217e-01 8.664620e-01 0.000485 0.000060 True native_MD 5 295 306 + CA_AB42_34 SD_AB42_35 1 0.000000e+00 1.096594e-05 ; 3.439528e-01 -1.096594e-05 2.930816e-01 1.136760e-01 0.000485 0.000060 True native_MD 6 295 307 CA_AB42_34 CE_AB42_35 1 5.419889e-03 5.240425e-05 ; 4.615613e-01 1.401375e-01 1.838081e-01 8.975778e-02 0.000485 0.001932 True native_MD 7 295 308 - CA_AB42_34 C_AB42_35 1 0.000000e+00 1.305182e-05 ; 3.489803e-01 -1.305182e-05 1.000000e+00 9.999964e-01 0.000485 0.000060 True native_MD 4 295 309 - CA_AB42_34 O_AB42_35 1 0.000000e+00 5.435945e-06 ; 3.244152e-01 -5.435945e-06 1.928400e-01 5.016041e-01 0.000485 0.000060 True native_MD 5 295 310 - CA_AB42_34 N_AB42_36 1 0.000000e+00 5.278535e-06 ; 3.236218e-01 -5.278535e-06 8.956444e-01 5.924812e-01 0.000485 0.000060 True native_MD 5 295 311 - CA_AB42_34 CA_AB42_36 1 0.000000e+00 4.539220e-05 ; 3.871775e-01 -4.539220e-05 8.945297e-01 5.869512e-01 0.000485 0.000060 True native_MD 6 295 313 + CA_AB42_34 C_AB42_35 1 0.000000e+00 1.305175e-05 ; 3.489802e-01 -1.305175e-05 1.000000e+00 9.999964e-01 0.000485 0.000060 True native_MD 4 295 309 + CA_AB42_34 O_AB42_35 1 0.000000e+00 5.435988e-06 ; 3.244155e-01 -5.435988e-06 1.928400e-01 5.016041e-01 0.000485 0.000060 True native_MD 5 295 310 + CA_AB42_34 N_AB42_36 1 0.000000e+00 5.278527e-06 ; 3.236218e-01 -5.278527e-06 8.956444e-01 5.924812e-01 0.000485 0.000060 True native_MD 5 295 311 + CA_AB42_34 CA_AB42_36 1 0.000000e+00 4.539254e-05 ; 3.871777e-01 -4.539254e-05 8.945297e-01 5.869512e-01 0.000485 0.000060 True native_MD 6 295 313 CA_AB42_34 CB_AB42_36 1 8.897290e-03 1.802078e-04 ; 5.220987e-01 1.098201e-01 6.228585e-01 3.441796e-01 0.000485 0.000883 True native_MD 7 295 314 CA_AB42_34 CG1_AB42_36 1 3.722899e-03 3.081729e-05 ; 4.497649e-01 1.124367e-01 1.040705e-01 1.164268e-01 0.000485 0.001932 True native_MD 7 295 315 CA_AB42_34 CG2_AB42_36 1 5.145161e-03 4.925052e-05 ; 4.607889e-01 1.343777e-01 3.865608e-01 2.242762e-01 0.000485 0.001932 True native_MD 7 295 316 @@ -49335,32 +49335,32 @@ CG2_AB42_32 O2_AB42_42 1 0.000000e+00 1.215605e-06 ; 2.863482e-01 -1.215605 CA_AB42_34 N_AB42_42 1 3.323615e-03 2.495552e-05 ; 4.425130e-01 1.106611e-01 1.637979e-03 2.237605e-04 0.000485 0.001339 True native_MD 7 295 354 CA_AB42_34 CA_AB42_42 1 5.469674e-03 6.102605e-05 ; 4.727073e-01 1.225597e-01 7.907950e-03 2.984614e-03 0.000485 0.000883 True native_MD 7 295 356 CA_AB42_34 CB_AB42_42 1 2.328068e-03 9.258231e-06 ; 3.980357e-01 1.463536e-01 7.383159e-03 2.993375e-03 0.000485 0.001932 True native_MD 7 295 357 - CB_AB42_34 C_AB42_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 296 300 + CB_AB42_34 C_AB42_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 296 300 CB_AB42_34 O_AB42_34 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 296 301 - CB_AB42_34 N_AB42_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 296 302 - CB_AB42_34 CA_AB42_35 1 0.000000e+00 3.181382e-05 ; 3.758775e-01 -3.181382e-05 9.999946e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 296 304 - CB_AB42_34 CB_AB42_35 1 0.000000e+00 1.210729e-05 ; 3.468025e-01 -1.210729e-05 8.421225e-01 6.263290e-01 0.000485 0.000060 True native_MD 5 296 305 - CB_AB42_34 CG_AB42_35 1 0.000000e+00 1.100029e-05 ; 3.440424e-01 -1.100029e-05 5.884176e-01 3.009225e-01 0.000485 0.000060 True native_MD 6 296 306 - CB_AB42_34 SD_AB42_35 1 0.000000e+00 5.262455e-06 ; 3.235395e-01 -5.262455e-06 2.222513e-01 3.372172e-02 0.000485 0.000060 True native_MD 7 296 307 + CB_AB42_34 N_AB42_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 296 302 + CB_AB42_34 CA_AB42_35 1 0.000000e+00 3.181369e-05 ; 3.758774e-01 -3.181369e-05 9.999946e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 296 304 + CB_AB42_34 CB_AB42_35 1 0.000000e+00 1.210709e-05 ; 3.468021e-01 -1.210709e-05 8.421225e-01 6.263290e-01 0.000485 0.000060 True native_MD 5 296 305 + CB_AB42_34 CG_AB42_35 1 0.000000e+00 1.100012e-05 ; 3.440420e-01 -1.100012e-05 5.884176e-01 3.009225e-01 0.000485 0.000060 True native_MD 6 296 306 + CB_AB42_34 SD_AB42_35 1 0.000000e+00 5.262446e-06 ; 3.235395e-01 -5.262446e-06 2.222513e-01 3.372172e-02 0.000485 0.000060 True native_MD 7 296 307 CB_AB42_34 CE_AB42_35 1 2.737968e-03 1.037409e-05 ; 3.948392e-01 1.806537e-01 2.215635e-01 3.883683e-02 0.000485 0.002332 True native_MD 7 296 308 - CB_AB42_34 C_AB42_35 1 0.000000e+00 8.454011e-06 ; 3.365763e-01 -8.454011e-06 1.493922e-01 4.841038e-01 0.000485 0.000060 True native_MD 5 296 309 - CB_AB42_34 O_AB42_35 1 0.000000e+00 2.296896e-06 ; 3.019419e-01 -2.296896e-06 2.507814e-02 1.646057e-01 0.000485 0.000060 True native_MD 6 296 310 - CB_AB42_34 N_AB42_36 1 0.000000e+00 4.339984e-06 ; 3.183848e-01 -4.339984e-06 5.448499e-02 2.350855e-01 0.000485 0.000060 True native_MD 6 296 311 - CB_AB42_34 CA_AB42_36 1 0.000000e+00 3.756438e-05 ; 3.811182e-01 -3.756438e-05 7.337477e-02 2.541375e-01 0.000485 0.001021 True native_MD 7 296 313 - CB_AB42_34 CB_AB42_36 1 0.000000e+00 3.577090e-05 ; 3.795676e-01 -3.577090e-05 6.467043e-02 1.890586e-01 0.000485 0.001021 True native_MD 7 296 314 + CB_AB42_34 C_AB42_35 1 0.000000e+00 8.453869e-06 ; 3.365759e-01 -8.453869e-06 1.493922e-01 4.841038e-01 0.000485 0.000060 True native_MD 5 296 309 + CB_AB42_34 O_AB42_35 1 0.000000e+00 2.296887e-06 ; 3.019418e-01 -2.296887e-06 2.507814e-02 1.646057e-01 0.000485 0.000060 True native_MD 6 296 310 + CB_AB42_34 N_AB42_36 1 0.000000e+00 4.339927e-06 ; 3.183845e-01 -4.339927e-06 5.448499e-02 2.350855e-01 0.000485 0.000060 True native_MD 6 296 311 + CB_AB42_34 CA_AB42_36 1 0.000000e+00 3.756422e-05 ; 3.811181e-01 -3.756422e-05 7.337477e-02 2.541375e-01 0.000485 0.001021 True native_MD 7 296 313 + CB_AB42_34 CB_AB42_36 1 0.000000e+00 3.577074e-05 ; 3.795675e-01 -3.577074e-05 6.467043e-02 1.890586e-01 0.000485 0.001021 True native_MD 7 296 314 CB_AB42_34 CG1_AB42_36 1 1.149268e-03 3.406088e-06 ; 3.789999e-01 9.694531e-02 3.443166e-02 7.389817e-02 0.000485 0.002332 True native_MD 7 296 315 CB_AB42_34 CG2_AB42_36 1 1.083837e-03 3.198015e-06 ; 3.787210e-01 9.183055e-02 5.586171e-02 1.397220e-01 0.000485 0.002332 True native_MD 7 296 316 - CB_AB42_34 C_AB42_36 1 0.000000e+00 6.918524e-06 ; 3.310011e-01 -6.918524e-06 1.134861e-02 1.036388e-01 0.000485 0.000060 True native_MD 7 296 317 - CB_AB42_34 O_AB42_36 1 0.000000e+00 2.192663e-06 ; 3.007756e-01 -2.192663e-06 1.057358e-02 9.838949e-02 0.000485 0.001191 True native_MD 7 296 318 - CB_AB42_34 N_AB42_37 1 0.000000e+00 3.867851e-06 ; 3.153437e-01 -3.867851e-06 8.548892e-03 6.071557e-02 0.000485 0.000060 True native_MD 7 296 319 - CB_AB42_34 CA_AB42_37 1 0.000000e+00 1.629798e-05 ; 3.554999e-01 -1.629798e-05 1.828321e-02 7.392730e-02 0.000485 0.001190 True native_MD 7 296 321 - CB_AB42_34 C_AB42_37 1 0.000000e+00 6.487124e-06 ; 3.292300e-01 -6.487124e-06 5.701593e-03 2.988284e-02 0.000485 0.000060 True native_MD 7 296 322 - CB_AB42_34 O_AB42_37 1 0.000000e+00 2.031356e-06 ; 2.988665e-01 -2.031356e-06 4.152512e-03 1.194154e-02 0.000485 0.001191 True native_MD 7 296 323 - CB_AB42_34 N_AB42_38 1 0.000000e+00 3.725244e-06 ; 3.143580e-01 -3.725244e-06 6.998048e-03 2.037149e-02 0.000485 0.000060 True native_MD 7 296 324 + CB_AB42_34 C_AB42_36 1 0.000000e+00 6.918407e-06 ; 3.310006e-01 -6.918407e-06 1.134861e-02 1.036388e-01 0.000485 0.000060 True native_MD 7 296 317 + CB_AB42_34 O_AB42_36 1 0.000000e+00 2.192655e-06 ; 3.007755e-01 -2.192655e-06 1.057358e-02 9.838949e-02 0.000485 0.001191 True native_MD 7 296 318 + CB_AB42_34 N_AB42_37 1 0.000000e+00 3.867800e-06 ; 3.153433e-01 -3.867800e-06 8.548892e-03 6.071557e-02 0.000485 0.000060 True native_MD 7 296 319 + CB_AB42_34 CA_AB42_37 1 0.000000e+00 1.629773e-05 ; 3.554994e-01 -1.629773e-05 1.828321e-02 7.392730e-02 0.000485 0.001190 True native_MD 7 296 321 + CB_AB42_34 C_AB42_37 1 0.000000e+00 6.487015e-06 ; 3.292295e-01 -6.487015e-06 5.701593e-03 2.988284e-02 0.000485 0.000060 True native_MD 7 296 322 + CB_AB42_34 O_AB42_37 1 0.000000e+00 2.031349e-06 ; 2.988664e-01 -2.031349e-06 4.152512e-03 1.194154e-02 0.000485 0.001191 True native_MD 7 296 323 + CB_AB42_34 N_AB42_38 1 0.000000e+00 3.725195e-06 ; 3.143577e-01 -3.725195e-06 6.998048e-03 2.037149e-02 0.000485 0.000060 True native_MD 7 296 324 CB_AB42_34 CA_AB42_38 1 1.941925e-03 9.893825e-06 ; 4.148158e-01 9.528854e-02 2.743594e-02 3.158159e-02 0.000485 0.001190 True native_MD 7 296 326 - CB_AB42_34 C_AB42_38 1 0.000000e+00 6.302085e-06 ; 3.284370e-01 -6.302085e-06 1.204600e-02 7.013417e-03 0.000485 0.000060 True native_MD 7 296 327 + CB_AB42_34 C_AB42_38 1 0.000000e+00 6.301979e-06 ; 3.284365e-01 -6.301979e-06 1.204600e-02 7.013417e-03 0.000485 0.000060 True native_MD 7 296 327 CB_AB42_34 O_AB42_38 1 9.603899e-04 2.044844e-06 ; 3.586758e-01 1.127652e-01 7.316615e-03 4.993504e-03 0.000485 0.001191 True native_MD 7 296 328 - CB_AB42_34 N_AB42_39 1 0.000000e+00 3.646935e-06 ; 3.138020e-01 -3.646935e-06 9.895179e-03 1.966548e-03 0.000485 0.000060 True native_MD 7 296 329 + CB_AB42_34 N_AB42_39 1 0.000000e+00 3.646887e-06 ; 3.138016e-01 -3.646887e-06 9.895179e-03 1.966548e-03 0.000485 0.000060 True native_MD 7 296 329 CB_AB42_34 CA_AB42_39 1 5.235033e-03 4.474103e-05 ; 4.521658e-01 1.531345e-01 6.159275e-02 1.076969e-02 0.000485 0.001021 True native_MD 7 296 331 CB_AB42_34 CB_AB42_39 1 1.738507e-03 5.744672e-06 ; 3.859355e-01 1.315309e-01 6.599866e-02 2.202838e-02 0.000485 0.001021 True native_MD 7 296 332 CB_AB42_34 CG1_AB42_39 1 2.721189e-03 1.167962e-05 ; 4.031299e-01 1.584998e-01 4.787066e-02 1.628327e-02 0.000485 0.002332 True native_MD 7 296 333 @@ -49385,179 +49385,179 @@ CG2_AB42_32 O2_AB42_42 1 0.000000e+00 1.215605e-06 ; 2.863482e-01 -1.215605 CB_AB42_34 N_AB42_42 1 2.070062e-03 8.581714e-06 ; 4.008038e-01 1.248340e-01 2.503276e-03 2.448194e-05 0.000485 0.000060 True native_MD 7 296 354 CB_AB42_34 CA_AB42_42 1 3.366326e-03 2.105808e-05 ; 4.292501e-01 1.345344e-01 7.956347e-03 2.427313e-03 0.000485 0.001021 True native_MD 7 296 356 CB_AB42_34 CB_AB42_42 1 1.720521e-03 4.870559e-06 ; 3.761143e-01 1.519431e-01 7.879972e-03 3.261462e-03 0.000485 0.002332 True native_MD 7 296 357 - CB_AB42_34 C_AB42_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 296 358 - CB_AB42_34 O1_AB42_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 296 359 - CB_AB42_34 O2_AB42_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 296 360 - CG_AB42_34 C_AB42_34 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 297 300 - CG_AB42_34 O_AB42_34 1 0.000000e+00 4.149106e-06 ; 3.171937e-01 -4.149106e-06 9.999869e-01 9.989302e-01 0.000485 0.000060 True native_MD 4 297 301 - CG_AB42_34 N_AB42_35 1 0.000000e+00 7.574952e-06 ; 3.335109e-01 -7.574952e-06 9.999929e-01 9.999872e-01 0.000485 0.000060 True native_MD 4 297 302 - CG_AB42_34 CA_AB42_35 1 0.000000e+00 6.468283e-05 ; 3.987745e-01 -6.468283e-05 9.980909e-01 9.847753e-01 0.000485 0.000060 True native_MD 5 297 304 - CG_AB42_34 CB_AB42_35 1 0.000000e+00 2.329157e-05 ; 3.662365e-01 -2.329157e-05 4.127748e-01 1.448999e-01 0.000485 0.000060 True native_MD 6 297 305 + CB_AB42_34 C_AB42_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 296 358 + CB_AB42_34 O1_AB42_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 296 359 + CB_AB42_34 O2_AB42_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 296 360 + CG_AB42_34 C_AB42_34 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 297 300 + CG_AB42_34 O_AB42_34 1 0.000000e+00 4.149138e-06 ; 3.171939e-01 -4.149138e-06 9.999869e-01 9.989302e-01 0.000485 0.000060 True native_MD 4 297 301 + CG_AB42_34 N_AB42_35 1 0.000000e+00 7.574940e-06 ; 3.335108e-01 -7.574940e-06 9.999929e-01 9.999872e-01 0.000485 0.000060 True native_MD 4 297 302 + CG_AB42_34 CA_AB42_35 1 0.000000e+00 6.468330e-05 ; 3.987748e-01 -6.468330e-05 9.980909e-01 9.847753e-01 0.000485 0.000060 True native_MD 5 297 304 + CG_AB42_34 CB_AB42_35 1 0.000000e+00 2.329147e-05 ; 3.662363e-01 -2.329147e-05 4.127748e-01 1.448999e-01 0.000485 0.000060 True native_MD 6 297 305 CG_AB42_34 CG_AB42_35 1 2.587285e-03 1.240045e-05 ; 4.106125e-01 1.349556e-01 3.695577e-01 1.113321e-01 0.000485 0.001021 True native_MD 7 297 306 CG_AB42_34 SD_AB42_35 1 9.233192e-04 2.738914e-06 ; 3.790569e-01 7.781536e-02 2.277341e-01 2.218645e-02 0.000485 0.000060 True native_MD 7 297 307 CG_AB42_34 CE_AB42_35 1 2.484513e-03 8.077382e-06 ; 3.848914e-01 1.910522e-01 2.412655e-01 2.567328e-02 0.000485 0.001932 True native_MD 7 297 308 - CG_AB42_34 C_AB42_35 1 0.000000e+00 1.322651e-05 ; 3.493672e-01 -1.322651e-05 1.015550e-01 1.149362e-01 0.000485 0.000060 True native_MD 6 297 309 + CG_AB42_34 C_AB42_35 1 0.000000e+00 1.322645e-05 ; 3.493670e-01 -1.322645e-05 1.015550e-01 1.149362e-01 0.000485 0.000060 True native_MD 6 297 309 CG_AB42_34 O_AB42_35 1 6.716605e-04 1.229989e-06 ; 3.497775e-01 9.169347e-02 5.801560e-02 7.438799e-02 0.000485 0.001191 True native_MD 7 297 310 - CG_AB42_34 N_AB42_36 1 0.000000e+00 7.604140e-06 ; 3.336178e-01 -7.604140e-06 7.696089e-02 8.080839e-02 0.000485 0.000060 True native_MD 7 297 311 + CG_AB42_34 N_AB42_36 1 0.000000e+00 7.604128e-06 ; 3.336177e-01 -7.604128e-06 7.696089e-02 8.080839e-02 0.000485 0.000060 True native_MD 7 297 311 CG_AB42_34 CA_AB42_36 1 2.385714e-03 1.985777e-05 ; 4.501791e-01 7.165494e-02 9.563114e-02 1.655829e-01 0.000485 0.000883 True native_MD 7 297 313 CG_AB42_34 CB_AB42_36 1 1.581545e-03 8.647831e-06 ; 4.197309e-01 7.230960e-02 8.770734e-02 1.489168e-01 0.000485 0.000883 True native_MD 7 297 314 CG_AB42_34 CG1_AB42_36 1 1.010006e-03 2.436981e-06 ; 3.662306e-01 1.046492e-01 4.530434e-02 6.398474e-02 0.000485 0.001932 True native_MD 7 297 315 CG_AB42_34 CG2_AB42_36 1 8.590851e-04 1.908199e-06 ; 3.612140e-01 9.669161e-02 7.075094e-02 1.267918e-01 0.000485 0.001932 True native_MD 7 297 316 - CG_AB42_34 C_AB42_36 1 0.000000e+00 1.332165e-05 ; 3.495759e-01 -1.332165e-05 2.120509e-02 4.187541e-02 0.000485 0.000060 True native_MD 7 297 317 - CG_AB42_34 O_AB42_36 1 0.000000e+00 4.337006e-06 ; 3.183666e-01 -4.337006e-06 1.829099e-02 6.247342e-02 0.000485 0.001191 True native_MD 7 297 318 - CG_AB42_34 N_AB42_37 1 0.000000e+00 7.724220e-06 ; 3.340536e-01 -7.724220e-06 1.123265e-02 3.093236e-02 0.000485 0.000060 True native_MD 7 297 319 - CG_AB42_34 CA_AB42_37 1 0.000000e+00 3.287856e-05 ; 3.769101e-01 -3.287856e-05 2.283696e-02 5.631025e-02 0.000485 0.001021 True native_MD 7 297 321 - CG_AB42_34 C_AB42_37 1 0.000000e+00 1.318794e-05 ; 3.492822e-01 -1.318794e-05 1.031761e-02 2.074349e-02 0.000485 0.000060 True native_MD 7 297 322 + CG_AB42_34 C_AB42_36 1 0.000000e+00 1.332158e-05 ; 3.495758e-01 -1.332158e-05 2.120509e-02 4.187541e-02 0.000485 0.000060 True native_MD 7 297 317 + CG_AB42_34 O_AB42_36 1 0.000000e+00 4.337040e-06 ; 3.183668e-01 -4.337040e-06 1.829099e-02 6.247342e-02 0.000485 0.001191 True native_MD 7 297 318 + CG_AB42_34 N_AB42_37 1 0.000000e+00 7.724208e-06 ; 3.340536e-01 -7.724208e-06 1.123265e-02 3.093236e-02 0.000485 0.000060 True native_MD 7 297 319 + CG_AB42_34 CA_AB42_37 1 0.000000e+00 3.287842e-05 ; 3.769099e-01 -3.287842e-05 2.283696e-02 5.631025e-02 0.000485 0.001021 True native_MD 7 297 321 + CG_AB42_34 C_AB42_37 1 0.000000e+00 1.318787e-05 ; 3.492820e-01 -1.318787e-05 1.031761e-02 2.074349e-02 0.000485 0.000060 True native_MD 7 297 322 CG_AB42_34 O_AB42_37 1 4.381547e-04 6.293131e-07 ; 3.358973e-01 7.626552e-02 5.384508e-03 1.095509e-02 0.000485 0.001191 True native_MD 7 297 323 - CG_AB42_34 N_AB42_38 1 0.000000e+00 7.598833e-06 ; 3.335984e-01 -7.598833e-06 1.064009e-02 1.378707e-02 0.000485 0.000060 True native_MD 7 297 324 + CG_AB42_34 N_AB42_38 1 0.000000e+00 7.598821e-06 ; 3.335983e-01 -7.598821e-06 1.064009e-02 1.378707e-02 0.000485 0.000060 True native_MD 7 297 324 CG_AB42_34 CA_AB42_38 1 2.169388e-03 1.189541e-05 ; 4.199269e-01 9.890885e-02 3.601241e-02 3.190641e-02 0.000485 0.001021 True native_MD 7 297 326 - CG_AB42_34 C_AB42_38 1 0.000000e+00 1.286233e-05 ; 3.485553e-01 -1.286233e-05 2.235918e-02 7.837407e-03 0.000485 0.000060 True native_MD 7 297 327 + CG_AB42_34 C_AB42_38 1 0.000000e+00 1.286226e-05 ; 3.485551e-01 -1.286226e-05 2.235918e-02 7.837407e-03 0.000485 0.000060 True native_MD 7 297 327 CG_AB42_34 O_AB42_38 1 2.046645e-03 8.020657e-06 ; 3.970646e-01 1.305615e-01 1.671950e-02 6.699246e-03 0.000485 0.001191 True native_MD 7 297 328 - CG_AB42_34 N_AB42_39 1 0.000000e+00 7.484971e-06 ; 3.331789e-01 -7.484971e-06 1.372284e-02 1.838484e-03 0.000485 0.000060 True native_MD 7 297 329 + CG_AB42_34 N_AB42_39 1 0.000000e+00 7.484959e-06 ; 3.331789e-01 -7.484959e-06 1.372284e-02 1.838484e-03 0.000485 0.000060 True native_MD 7 297 329 CG_AB42_34 CA_AB42_39 1 5.904274e-03 6.154118e-05 ; 4.673762e-01 1.416143e-01 7.239322e-02 1.544811e-02 0.000485 0.000883 True native_MD 7 297 331 CG_AB42_34 CB_AB42_39 1 2.635816e-03 1.416019e-05 ; 4.184970e-01 1.226595e-01 8.081057e-02 3.040854e-02 0.000485 0.000883 True native_MD 7 297 332 CG_AB42_34 CG1_AB42_39 1 2.956658e-03 1.441119e-05 ; 4.117654e-01 1.516499e-01 6.479817e-02 2.242059e-02 0.000485 0.001932 True native_MD 7 297 333 CG_AB42_34 CG2_AB42_39 1 2.510367e-03 1.053737e-05 ; 4.016359e-01 1.495142e-01 7.391330e-02 2.726241e-02 0.000485 0.001932 True native_MD 7 297 334 - CG_AB42_34 C_AB42_39 1 0.000000e+00 1.282153e-05 ; 3.484630e-01 -1.282153e-05 2.054905e-02 2.901147e-03 0.000485 0.000060 True native_MD 7 297 335 + CG_AB42_34 C_AB42_39 1 0.000000e+00 1.282146e-05 ; 3.484628e-01 -1.282146e-05 2.054905e-02 2.901147e-03 0.000485 0.000060 True native_MD 7 297 335 CG_AB42_34 O_AB42_39 1 1.868141e-03 5.760826e-06 ; 3.815158e-01 1.514518e-01 2.091587e-02 4.485125e-03 0.000485 0.001191 True native_MD 7 297 336 CG_AB42_34 N_AB42_40 1 1.565599e-03 8.019973e-06 ; 4.151918e-01 7.640612e-02 1.163320e-02 1.182155e-03 0.000485 0.000060 True native_MD 7 297 337 CG_AB42_34 CA_AB42_40 1 6.007632e-03 5.815706e-05 ; 4.616539e-01 1.551473e-01 7.298699e-02 1.038818e-02 0.000485 0.000883 True native_MD 7 297 339 CG_AB42_34 CB_AB42_40 1 5.497740e-03 4.588076e-05 ; 4.503751e-01 1.646940e-01 1.490625e-01 1.594363e-02 0.000485 0.000883 True native_MD 7 297 340 CG_AB42_34 CG1_AB42_40 1 3.370284e-03 1.501362e-05 ; 4.056360e-01 1.891418e-01 1.087446e-01 1.225242e-02 0.000485 0.001932 True native_MD 7 297 341 CG_AB42_34 CG2_AB42_40 1 3.083869e-03 1.209637e-05 ; 3.971243e-01 1.965518e-01 1.486906e-01 1.342126e-02 0.000485 0.001932 True native_MD 7 297 342 - CG_AB42_34 C_AB42_40 1 0.000000e+00 1.290612e-05 ; 3.486540e-01 -1.290612e-05 1.286370e-02 1.697043e-03 0.000485 0.000060 True native_MD 7 297 343 + CG_AB42_34 C_AB42_40 1 0.000000e+00 1.290605e-05 ; 3.486538e-01 -1.290605e-05 1.286370e-02 1.697043e-03 0.000485 0.000060 True native_MD 7 297 343 CG_AB42_34 O_AB42_40 1 1.539190e-03 4.023317e-06 ; 3.711493e-01 1.472111e-01 9.668291e-03 2.353769e-03 0.000485 0.001191 True native_MD 7 297 344 - CG_AB42_34 N_AB42_41 1 0.000000e+00 7.525747e-06 ; 3.333298e-01 -7.525747e-06 7.559592e-03 1.058238e-03 0.000485 0.000060 True native_MD 7 297 345 + CG_AB42_34 N_AB42_41 1 0.000000e+00 7.525735e-06 ; 3.333298e-01 -7.525735e-06 7.559592e-03 1.058238e-03 0.000485 0.000060 True native_MD 7 297 345 CG_AB42_34 CA_AB42_41 1 8.870802e-03 1.301984e-04 ; 4.948123e-01 1.510985e-01 3.117346e-02 5.008410e-03 0.000485 0.000883 True native_MD 7 297 347 CG_AB42_34 CB_AB42_41 1 4.619033e-03 3.543467e-05 ; 4.440988e-01 1.505268e-01 5.353763e-02 8.749928e-03 0.000485 0.000883 True native_MD 7 297 348 CG_AB42_34 CG1_AB42_41 1 3.054871e-03 1.461371e-05 ; 4.104825e-01 1.596486e-01 5.637233e-02 8.111058e-03 0.000485 0.001021 True native_MD 7 297 349 CG_AB42_34 CG2_AB42_41 1 2.999892e-03 1.368574e-05 ; 4.072494e-01 1.643928e-01 3.286177e-02 7.765330e-03 0.000485 0.001932 True native_MD 7 297 350 CG_AB42_34 CD_AB42_41 1 2.721778e-03 1.093224e-05 ; 3.986968e-01 1.694090e-01 5.722188e-02 1.163691e-02 0.000485 0.001932 True native_MD 7 297 351 - CG_AB42_34 C_AB42_41 1 0.000000e+00 1.295318e-05 ; 3.487598e-01 -1.295318e-05 8.731898e-03 1.170837e-03 0.000485 0.000060 True native_MD 7 297 352 + CG_AB42_34 C_AB42_41 1 0.000000e+00 1.295311e-05 ; 3.487596e-01 -1.295311e-05 8.731898e-03 1.170837e-03 0.000485 0.000060 True native_MD 7 297 352 CG_AB42_34 O_AB42_41 1 1.355345e-03 2.847965e-06 ; 3.578883e-01 1.612520e-01 1.032562e-02 1.651372e-03 0.000485 0.001191 True native_MD 7 297 353 - CG_AB42_34 N_AB42_42 1 0.000000e+00 7.550628e-06 ; 3.334215e-01 -7.550628e-06 3.805455e-03 5.887500e-04 0.000485 0.000060 True native_MD 7 297 354 + CG_AB42_34 N_AB42_42 1 0.000000e+00 7.550616e-06 ; 3.334214e-01 -7.550616e-06 3.805455e-03 5.887500e-04 0.000485 0.000060 True native_MD 7 297 354 CG_AB42_34 CA_AB42_42 1 4.719458e-03 4.778147e-05 ; 4.651159e-01 1.165372e-01 1.373907e-02 6.209450e-03 0.000485 0.000883 True native_MD 7 297 356 CG_AB42_34 CB_AB42_42 1 2.587786e-03 1.127540e-05 ; 4.041419e-01 1.484789e-01 1.425947e-02 5.425001e-03 0.000485 0.001932 True native_MD 7 297 357 - CG_AB42_34 C_AB42_42 1 0.000000e+00 1.306997e-05 ; 3.490207e-01 -1.306997e-05 8.771698e-04 2.264487e-03 0.000485 0.000060 True native_MD 7 297 358 - CG_AB42_34 O1_AB42_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 297 359 - CG_AB42_34 O2_AB42_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 297 360 -CD1_AB42_34 C_AB42_34 1 0.000000e+00 4.455389e-06 ; 3.190819e-01 -4.455389e-06 9.842863e-01 9.270032e-01 0.000485 0.000060 True native_MD 4 298 300 + CG_AB42_34 C_AB42_42 1 0.000000e+00 1.306990e-05 ; 3.490206e-01 -1.306990e-05 8.771698e-04 2.264487e-03 0.000485 0.000060 True native_MD 7 297 358 + CG_AB42_34 O1_AB42_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 297 359 + CG_AB42_34 O2_AB42_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 297 360 +CD1_AB42_34 C_AB42_34 1 0.000000e+00 4.455331e-06 ; 3.190815e-01 -4.455331e-06 9.842863e-01 9.270032e-01 0.000485 0.000060 True native_MD 4 298 300 CD1_AB42_34 O_AB42_34 1 0.000000e+00 1.035807e-06 ; 2.825541e-01 -1.035807e-06 4.473155e-01 1.360205e-01 0.000485 0.000060 True native_MD 5 298 301 -CD1_AB42_34 N_AB42_35 1 0.000000e+00 2.341179e-06 ; 3.024228e-01 -2.341179e-06 3.164439e-01 1.699774e-01 0.000485 0.000060 True native_MD 5 298 302 -CD1_AB42_34 CA_AB42_35 1 0.000000e+00 2.010035e-05 ; 3.617667e-01 -2.010035e-05 2.858536e-01 1.326152e-01 0.000485 0.000060 True native_MD 6 298 304 +CD1_AB42_34 N_AB42_35 1 0.000000e+00 2.341157e-06 ; 3.024226e-01 -2.341157e-06 3.164439e-01 1.699774e-01 0.000485 0.000060 True native_MD 5 298 302 +CD1_AB42_34 CA_AB42_35 1 0.000000e+00 2.010034e-05 ; 3.617667e-01 -2.010034e-05 2.858536e-01 1.326152e-01 0.000485 0.000060 True native_MD 6 298 304 CD1_AB42_34 CB_AB42_35 1 2.693892e-03 1.304239e-05 ; 4.113039e-01 1.391052e-01 3.410259e-02 2.072646e-02 0.000485 0.002332 True native_MD 7 298 305 CD1_AB42_34 CG_AB42_35 1 1.818917e-03 5.217391e-06 ; 3.769410e-01 1.585304e-01 4.835464e-02 1.643288e-02 0.000485 0.002332 True native_MD 7 298 306 CD1_AB42_34 SD_AB42_35 1 7.638400e-04 1.906041e-06 ; 3.682886e-01 7.652663e-02 3.901460e-02 3.950355e-03 0.000485 0.000060 True native_MD 7 298 307 CD1_AB42_34 CE_AB42_35 1 3.080587e-03 1.042432e-05 ; 3.874679e-01 2.275932e-01 7.543931e-02 7.396630e-03 0.000485 0.005315 True native_MD 7 298 308 -CD1_AB42_34 C_AB42_35 1 0.000000e+00 4.606235e-06 ; 3.199685e-01 -4.606235e-06 5.014221e-02 2.477655e-02 0.000485 0.000060 True native_MD 7 298 309 +CD1_AB42_34 C_AB42_35 1 0.000000e+00 4.606174e-06 ; 3.199681e-01 -4.606174e-06 5.014221e-02 2.477655e-02 0.000485 0.000060 True native_MD 7 298 309 CD1_AB42_34 O_AB42_35 1 5.979628e-04 8.265581e-07 ; 3.337592e-01 1.081471e-01 3.519519e-02 2.758023e-02 0.000485 0.001191 True native_MD 7 298 310 -CD1_AB42_34 N_AB42_36 1 0.000000e+00 2.716224e-06 ; 3.061908e-01 -2.716224e-06 2.379386e-02 1.405900e-02 0.000485 0.000060 True native_MD 7 298 311 +CD1_AB42_34 N_AB42_36 1 0.000000e+00 2.716198e-06 ; 3.061906e-01 -2.716198e-06 2.379386e-02 1.405900e-02 0.000485 0.000060 True native_MD 7 298 311 CD1_AB42_34 CA_AB42_36 1 3.451907e-03 2.402812e-05 ; 4.369618e-01 1.239762e-01 4.304931e-02 3.409697e-02 0.000485 0.001932 True native_MD 7 298 313 CD1_AB42_34 CB_AB42_36 1 1.422640e-03 5.081355e-06 ; 3.909736e-01 9.957508e-02 3.991453e-02 6.561671e-02 0.000485 0.001932 True native_MD 7 298 314 CD1_AB42_34 CG1_AB42_36 1 1.621686e-03 4.637621e-06 ; 3.767513e-01 1.417681e-01 2.515354e-02 3.217176e-02 0.000485 0.005315 True native_MD 7 298 315 CD1_AB42_34 CG2_AB42_36 1 1.058394e-03 2.107338e-06 ; 3.546891e-01 1.328926e-01 4.435235e-02 7.398511e-02 0.000485 0.005315 True native_MD 7 298 316 -CD1_AB42_34 C_AB42_36 1 0.000000e+00 4.736856e-06 ; 3.207149e-01 -4.736856e-06 1.012764e-02 1.240010e-02 0.000485 0.000060 True native_MD 7 298 317 +CD1_AB42_34 C_AB42_36 1 0.000000e+00 4.736794e-06 ; 3.207146e-01 -4.736794e-06 1.012764e-02 1.240010e-02 0.000485 0.000060 True native_MD 7 298 317 CD1_AB42_34 O_AB42_36 1 0.000000e+00 1.535096e-06 ; 2.919709e-01 -1.535096e-06 1.110096e-02 3.178192e-02 0.000485 0.001191 True native_MD 7 298 318 -CD1_AB42_34 N_AB42_37 1 0.000000e+00 2.758551e-06 ; 3.065856e-01 -2.758551e-06 5.318616e-03 1.101495e-02 0.000485 0.000060 True native_MD 7 298 319 +CD1_AB42_34 N_AB42_37 1 0.000000e+00 2.758525e-06 ; 3.065854e-01 -2.758525e-06 5.318616e-03 1.101495e-02 0.000485 0.000060 True native_MD 7 298 319 CD1_AB42_34 CA_AB42_37 1 1.306910e-03 4.446820e-06 ; 3.878234e-01 9.602450e-02 1.554115e-02 3.428676e-02 0.000485 0.002332 True native_MD 7 298 321 -CD1_AB42_34 C_AB42_37 1 0.000000e+00 4.767456e-06 ; 3.208871e-01 -4.767456e-06 6.397067e-03 1.514425e-02 0.000485 0.000060 True native_MD 7 298 322 +CD1_AB42_34 C_AB42_37 1 0.000000e+00 4.767394e-06 ; 3.208867e-01 -4.767394e-06 6.397067e-03 1.514425e-02 0.000485 0.000060 True native_MD 7 298 322 CD1_AB42_34 O_AB42_37 1 0.000000e+00 1.513780e-06 ; 2.916309e-01 -1.513780e-06 3.330497e-03 9.838944e-03 0.000485 0.001191 True native_MD 7 298 323 -CD1_AB42_34 N_AB42_38 1 0.000000e+00 2.746915e-06 ; 3.064776e-01 -2.746915e-06 8.396185e-03 9.850310e-03 0.000485 0.000060 True native_MD 7 298 324 +CD1_AB42_34 N_AB42_38 1 0.000000e+00 2.746889e-06 ; 3.064774e-01 -2.746889e-06 8.396185e-03 9.850310e-03 0.000485 0.000060 True native_MD 7 298 324 CD1_AB42_34 CA_AB42_38 1 1.443168e-03 4.169796e-06 ; 3.773981e-01 1.248702e-01 2.413189e-02 2.245621e-02 0.000485 0.002332 True native_MD 7 298 326 -CD1_AB42_34 C_AB42_38 1 0.000000e+00 4.673608e-06 ; 3.203559e-01 -4.673608e-06 1.935645e-02 8.246249e-03 0.000485 0.000060 True native_MD 7 298 327 +CD1_AB42_34 C_AB42_38 1 0.000000e+00 4.673547e-06 ; 3.203555e-01 -4.673547e-06 1.935645e-02 8.246249e-03 0.000485 0.000060 True native_MD 7 298 327 CD1_AB42_34 O_AB42_38 1 4.849951e-04 4.583770e-07 ; 3.132667e-01 1.282897e-01 1.704864e-02 7.311690e-03 0.000485 0.001191 True native_MD 7 298 328 -CD1_AB42_34 N_AB42_39 1 0.000000e+00 2.713405e-06 ; 3.061643e-01 -2.713405e-06 1.368745e-02 2.924733e-03 0.000485 0.000060 True native_MD 7 298 329 +CD1_AB42_34 N_AB42_39 1 0.000000e+00 2.713379e-06 ; 3.061641e-01 -2.713379e-06 1.368745e-02 2.924733e-03 0.000485 0.000060 True native_MD 7 298 329 CD1_AB42_34 CA_AB42_39 1 2.269756e-03 8.644498e-06 ; 3.951786e-01 1.489905e-01 3.823533e-02 1.432560e-02 0.000485 0.001932 True native_MD 7 298 331 CD1_AB42_34 CB_AB42_39 1 1.920894e-03 6.305351e-06 ; 3.855088e-01 1.462978e-01 6.041561e-02 2.453542e-02 0.000485 0.001932 True native_MD 7 298 332 CD1_AB42_34 CG1_AB42_39 1 1.425825e-03 2.908938e-06 ; 3.561323e-01 1.747181e-01 4.075848e-02 1.944704e-02 0.000485 0.005315 True native_MD 7 298 333 CD1_AB42_34 CG2_AB42_39 1 1.128439e-03 1.899015e-06 ; 3.448856e-01 1.676362e-01 3.593251e-02 2.119166e-02 0.000485 0.005315 True native_MD 7 298 334 -CD1_AB42_34 C_AB42_39 1 0.000000e+00 4.676165e-06 ; 3.203705e-01 -4.676165e-06 1.428206e-02 3.712957e-03 0.000485 0.000060 True native_MD 7 298 335 +CD1_AB42_34 C_AB42_39 1 0.000000e+00 4.676104e-06 ; 3.203701e-01 -4.676104e-06 1.428206e-02 3.712957e-03 0.000485 0.000060 True native_MD 7 298 335 CD1_AB42_34 O_AB42_39 1 4.387454e-04 3.621757e-07 ; 3.062794e-01 1.328758e-01 1.153771e-02 4.313638e-03 0.000485 0.001191 True native_MD 7 298 336 -CD1_AB42_34 N_AB42_40 1 0.000000e+00 2.719249e-06 ; 3.062192e-01 -2.719249e-06 1.070163e-02 2.069521e-03 0.000485 0.000060 True native_MD 7 298 337 +CD1_AB42_34 N_AB42_40 1 0.000000e+00 2.719223e-06 ; 3.062190e-01 -2.719223e-06 1.070163e-02 2.069521e-03 0.000485 0.000060 True native_MD 7 298 337 CD1_AB42_34 CA_AB42_40 1 2.631528e-03 1.050529e-05 ; 3.982905e-01 1.647966e-01 4.126657e-02 9.634289e-03 0.000485 0.001932 True native_MD 7 298 339 CD1_AB42_34 CB_AB42_40 1 3.104336e-03 1.304532e-05 ; 4.017116e-01 1.846812e-01 9.418311e-02 1.212722e-02 0.000485 0.001932 True native_MD 7 298 340 CD1_AB42_34 CG1_AB42_40 1 1.698884e-03 3.424050e-06 ; 3.554098e-01 2.107305e-01 6.318389e-02 1.026126e-02 0.000485 0.005315 True native_MD 7 298 341 CD1_AB42_34 CG2_AB42_40 1 1.624385e-03 2.934180e-06 ; 3.489793e-01 2.248180e-01 9.271947e-02 9.878142e-03 0.000485 0.005315 True native_MD 7 298 342 -CD1_AB42_34 C_AB42_40 1 0.000000e+00 4.699437e-06 ; 3.205030e-01 -4.699437e-06 8.283872e-03 2.638821e-03 0.000485 0.000060 True native_MD 7 298 343 +CD1_AB42_34 C_AB42_40 1 0.000000e+00 4.699375e-06 ; 3.205027e-01 -4.699375e-06 8.283872e-03 2.638821e-03 0.000485 0.000060 True native_MD 7 298 343 CD1_AB42_34 O_AB42_40 1 4.287742e-04 3.712691e-07 ; 3.087285e-01 1.237965e-01 5.741352e-03 2.816687e-03 0.000485 0.001191 True native_MD 7 298 344 -CD1_AB42_34 N_AB42_41 1 0.000000e+00 2.733867e-06 ; 3.063560e-01 -2.733867e-06 4.909299e-03 1.606530e-03 0.000485 0.000060 True native_MD 7 298 345 +CD1_AB42_34 N_AB42_41 1 0.000000e+00 2.733841e-06 ; 3.063558e-01 -2.733841e-06 4.909299e-03 1.606530e-03 0.000485 0.000060 True native_MD 7 298 345 CD1_AB42_34 CA_AB42_41 1 2.776285e-03 1.251329e-05 ; 4.064289e-01 1.539915e-01 1.873183e-02 6.042715e-03 0.000485 0.001932 True native_MD 7 298 347 CD1_AB42_34 CB_AB42_41 1 3.173619e-03 1.559341e-05 ; 4.123168e-01 1.614761e-01 3.372147e-02 8.695258e-03 0.000485 0.001932 True native_MD 7 298 348 CD1_AB42_34 CG1_AB42_41 1 1.721315e-03 4.205538e-06 ; 3.669950e-01 1.761324e-01 3.678160e-02 7.381387e-03 0.000485 0.002332 True native_MD 7 298 349 CD1_AB42_34 CG2_AB42_41 1 1.497024e-03 2.985670e-06 ; 3.547879e-01 1.876530e-01 2.376927e-02 7.700889e-03 0.000485 0.005315 True native_MD 7 298 350 CD1_AB42_34 CD_AB42_41 1 1.399133e-03 2.501360e-06 ; 3.483797e-01 1.956509e-01 3.904365e-02 9.957011e-03 0.000485 0.005315 True native_MD 7 298 351 -CD1_AB42_34 C_AB42_41 1 0.000000e+00 4.700981e-06 ; 3.205118e-01 -4.700981e-06 7.035665e-03 1.717325e-03 0.000485 0.000060 True native_MD 7 298 352 +CD1_AB42_34 C_AB42_41 1 0.000000e+00 4.700919e-06 ; 3.205115e-01 -4.700919e-06 7.035665e-03 1.717325e-03 0.000485 0.000060 True native_MD 7 298 352 CD1_AB42_34 O_AB42_41 1 5.636717e-04 5.338912e-07 ; 3.133799e-01 1.487784e-01 7.669477e-03 1.781598e-03 0.000485 0.001191 True native_MD 7 298 353 -CD1_AB42_34 N_AB42_42 1 0.000000e+00 2.735144e-06 ; 3.063680e-01 -2.735144e-06 4.050046e-03 1.212754e-03 0.000485 0.000060 True native_MD 7 298 354 +CD1_AB42_34 N_AB42_42 1 0.000000e+00 2.735118e-06 ; 3.063677e-01 -2.735118e-06 4.050046e-03 1.212754e-03 0.000485 0.000060 True native_MD 7 298 354 CD1_AB42_34 CA_AB42_42 1 1.751436e-03 5.650489e-06 ; 3.843987e-01 1.357196e-01 1.149247e-02 6.405289e-03 0.000485 0.001932 True native_MD 7 298 356 CD1_AB42_34 CB_AB42_42 1 1.224602e-03 2.144836e-06 ; 3.471895e-01 1.747977e-01 1.116531e-02 5.163493e-03 0.000485 0.005315 True native_MD 7 298 357 -CD1_AB42_34 C_AB42_42 1 0.000000e+00 4.730050e-06 ; 3.206765e-01 -4.730050e-06 1.573087e-03 2.405634e-03 0.000485 0.000060 True native_MD 7 298 358 -CD1_AB42_34 O1_AB42_42 1 0.000000e+00 1.218347e-06 ; 2.864019e-01 -1.218347e-06 7.278596e-04 1.452520e-03 0.000485 0.000060 True native_MD 7 298 359 -CD1_AB42_34 O2_AB42_42 1 0.000000e+00 1.218347e-06 ; 2.864019e-01 -1.218347e-06 7.278596e-04 1.452520e-03 0.000485 0.000060 True native_MD 7 298 360 -CD2_AB42_34 C_AB42_34 1 0.000000e+00 4.713869e-06 ; 3.205849e-01 -4.713869e-06 9.998596e-01 9.972684e-01 0.000485 0.000060 True native_MD 4 299 300 +CD1_AB42_34 C_AB42_42 1 0.000000e+00 4.729989e-06 ; 3.206762e-01 -4.729989e-06 1.573087e-03 2.405634e-03 0.000485 0.000060 True native_MD 7 298 358 +CD1_AB42_34 O1_AB42_42 1 0.000000e+00 1.218348e-06 ; 2.864019e-01 -1.218348e-06 7.278596e-04 1.452520e-03 0.000485 0.000060 True native_MD 7 298 359 +CD1_AB42_34 O2_AB42_42 1 0.000000e+00 1.218348e-06 ; 2.864019e-01 -1.218348e-06 7.278596e-04 1.452520e-03 0.000485 0.000060 True native_MD 7 298 360 +CD2_AB42_34 C_AB42_34 1 0.000000e+00 4.713808e-06 ; 3.205846e-01 -4.713808e-06 9.998596e-01 9.972684e-01 0.000485 0.000060 True native_MD 4 299 300 CD2_AB42_34 O_AB42_34 1 0.000000e+00 1.325239e-06 ; 2.884161e-01 -1.325239e-06 3.712654e-01 2.524131e-01 0.000485 0.000060 True native_MD 5 299 301 -CD2_AB42_34 N_AB42_35 1 0.000000e+00 3.212805e-06 ; 3.105051e-01 -3.212805e-06 2.553765e-01 4.266821e-01 0.000485 0.000060 True native_MD 5 299 302 -CD2_AB42_34 CA_AB42_35 1 0.000000e+00 2.279389e-05 ; 3.655778e-01 -2.279389e-05 2.537349e-01 2.139664e-01 0.000485 0.000060 True native_MD 6 299 304 +CD2_AB42_34 N_AB42_35 1 0.000000e+00 3.212774e-06 ; 3.105048e-01 -3.212774e-06 2.553765e-01 4.266821e-01 0.000485 0.000060 True native_MD 5 299 302 +CD2_AB42_34 CA_AB42_35 1 0.000000e+00 2.279388e-05 ; 3.655778e-01 -2.279388e-05 2.537349e-01 2.139664e-01 0.000485 0.000060 True native_MD 6 299 304 CD2_AB42_34 CB_AB42_35 1 5.001679e-03 4.049684e-05 ; 4.481096e-01 1.544367e-01 4.788637e-02 1.839466e-02 0.000485 0.002332 True native_MD 7 299 305 CD2_AB42_34 CG_AB42_35 1 2.964515e-03 1.214285e-05 ; 4.000011e-01 1.809368e-01 2.038571e-01 3.543173e-02 0.000485 0.002332 True native_MD 7 299 306 CD2_AB42_34 SD_AB42_35 1 9.101525e-04 2.225575e-06 ; 3.670467e-01 9.305210e-02 1.489520e-01 9.197702e-03 0.000485 0.000060 True native_MD 7 299 307 CD2_AB42_34 CE_AB42_35 1 1.803560e-03 3.493533e-06 ; 3.530658e-01 2.327751e-01 1.859835e-01 1.561574e-02 0.000485 0.005315 True native_MD 7 299 308 -CD2_AB42_34 C_AB42_35 1 0.000000e+00 4.722088e-06 ; 3.206315e-01 -4.722088e-06 1.389561e-02 1.304342e-02 0.000485 0.000060 True native_MD 7 299 309 +CD2_AB42_34 C_AB42_35 1 0.000000e+00 4.722026e-06 ; 3.206311e-01 -4.722026e-06 1.389561e-02 1.304342e-02 0.000485 0.000060 True native_MD 7 299 309 CD2_AB42_34 O_AB42_35 1 3.802179e-04 4.609186e-07 ; 3.265367e-01 7.841172e-02 1.046305e-02 1.996337e-02 0.000485 0.001191 True native_MD 7 299 310 -CD2_AB42_34 N_AB42_36 1 0.000000e+00 2.758394e-06 ; 3.065841e-01 -2.758394e-06 1.066162e-02 1.630091e-02 0.000485 0.000060 True native_MD 7 299 311 +CD2_AB42_34 N_AB42_36 1 0.000000e+00 2.758368e-06 ; 3.065839e-01 -2.758368e-06 1.066162e-02 1.630091e-02 0.000485 0.000060 True native_MD 7 299 311 CD2_AB42_34 CA_AB42_36 1 3.673362e-03 2.831050e-05 ; 4.444409e-01 1.191571e-01 4.979099e-02 4.555475e-02 0.000485 0.001932 True native_MD 7 299 313 CD2_AB42_34 CB_AB42_36 1 2.415098e-03 1.284556e-05 ; 4.178012e-01 1.135159e-01 6.024895e-02 6.526025e-02 0.000485 0.001932 True native_MD 7 299 314 CD2_AB42_34 CG1_AB42_36 1 9.331234e-04 1.502576e-06 ; 3.423599e-01 1.448711e-01 3.124292e-02 3.641657e-02 0.000485 0.005315 True native_MD 7 299 315 CD2_AB42_34 CG2_AB42_36 1 8.726892e-04 1.392670e-06 ; 3.418467e-01 1.367133e-01 4.807830e-02 7.153522e-02 0.000485 0.005315 True native_MD 7 299 316 -CD2_AB42_34 C_AB42_36 1 0.000000e+00 4.750165e-06 ; 3.207899e-01 -4.750165e-06 1.118111e-02 1.626961e-02 0.000485 0.000060 True native_MD 7 299 317 +CD2_AB42_34 C_AB42_36 1 0.000000e+00 4.750102e-06 ; 3.207896e-01 -4.750102e-06 1.118111e-02 1.626961e-02 0.000485 0.000060 True native_MD 7 299 317 CD2_AB42_34 O_AB42_36 1 3.115360e-04 3.263960e-07 ; 3.186932e-01 7.433812e-02 1.183485e-02 2.550830e-02 0.000485 0.001191 True native_MD 7 299 318 -CD2_AB42_34 N_AB42_37 1 0.000000e+00 2.757219e-06 ; 3.065733e-01 -2.757219e-06 5.823432e-03 1.103407e-02 0.000485 0.000060 True native_MD 7 299 319 +CD2_AB42_34 N_AB42_37 1 0.000000e+00 2.757192e-06 ; 3.065730e-01 -2.757192e-06 5.823432e-03 1.103407e-02 0.000485 0.000060 True native_MD 7 299 319 CD2_AB42_34 CA_AB42_37 1 9.347418e-04 2.264844e-06 ; 3.664863e-01 9.644616e-02 1.160248e-02 2.527632e-02 0.000485 0.002332 True native_MD 7 299 321 -CD2_AB42_34 C_AB42_37 1 0.000000e+00 4.748664e-06 ; 3.207815e-01 -4.748664e-06 6.842802e-03 1.161383e-02 0.000485 0.000060 True native_MD 7 299 322 +CD2_AB42_34 C_AB42_37 1 0.000000e+00 4.748602e-06 ; 3.207811e-01 -4.748602e-06 6.842802e-03 1.161383e-02 0.000485 0.000060 True native_MD 7 299 322 CD2_AB42_34 O_AB42_37 1 3.701974e-04 4.072501e-07 ; 3.212955e-01 8.412896e-02 4.331496e-03 6.964796e-03 0.000485 0.001191 True native_MD 7 299 323 -CD2_AB42_34 N_AB42_38 1 0.000000e+00 2.746573e-06 ; 3.064744e-01 -2.746573e-06 6.445252e-03 7.774768e-03 0.000485 0.000060 True native_MD 7 299 324 +CD2_AB42_34 N_AB42_38 1 0.000000e+00 2.746547e-06 ; 3.064742e-01 -2.746547e-06 6.445252e-03 7.774768e-03 0.000485 0.000060 True native_MD 7 299 324 CD2_AB42_34 CA_AB42_38 1 1.183413e-03 2.878340e-06 ; 3.667197e-01 1.216383e-01 1.758597e-02 1.802665e-02 0.000485 0.002332 True native_MD 7 299 326 -CD2_AB42_34 C_AB42_38 1 0.000000e+00 4.692763e-06 ; 3.204651e-01 -4.692763e-06 1.336314e-02 6.305942e-03 0.000485 0.000060 True native_MD 7 299 327 +CD2_AB42_34 C_AB42_38 1 0.000000e+00 4.692701e-06 ; 3.204647e-01 -4.692701e-06 1.336314e-02 6.305942e-03 0.000485 0.000060 True native_MD 7 299 327 CD2_AB42_34 O_AB42_38 1 4.034789e-04 3.308322e-07 ; 3.059364e-01 1.230195e-01 1.062436e-02 5.334896e-03 0.000485 0.001191 True native_MD 7 299 328 -CD2_AB42_34 N_AB42_39 1 0.000000e+00 2.724264e-06 ; 3.062662e-01 -2.724264e-06 9.553954e-03 2.750308e-03 0.000485 0.000060 True native_MD 7 299 329 +CD2_AB42_34 N_AB42_39 1 0.000000e+00 2.724238e-06 ; 3.062660e-01 -2.724238e-06 9.553954e-03 2.750308e-03 0.000485 0.000060 True native_MD 7 299 329 CD2_AB42_34 CA_AB42_39 1 2.934812e-03 1.348597e-05 ; 4.077403e-01 1.596682e-01 4.498713e-02 1.224506e-02 0.000485 0.001932 True native_MD 7 299 331 CD2_AB42_34 CB_AB42_39 1 1.801377e-03 5.204118e-06 ; 3.773900e-01 1.558841e-01 6.515448e-02 1.986085e-02 0.000485 0.001932 True native_MD 7 299 332 CD2_AB42_34 CG1_AB42_39 1 1.509207e-03 3.009877e-06 ; 3.547862e-01 1.891859e-01 5.222087e-02 1.616022e-02 0.000485 0.005315 True native_MD 7 299 333 CD2_AB42_34 CG2_AB42_39 1 1.527583e-03 3.124410e-06 ; 3.562820e-01 1.867161e-01 5.649430e-02 1.882377e-02 0.000485 0.005315 True native_MD 7 299 334 -CD2_AB42_34 C_AB42_39 1 0.000000e+00 4.699854e-06 ; 3.205054e-01 -4.699854e-06 9.315130e-03 3.758499e-03 0.000485 0.000060 True native_MD 7 299 335 +CD2_AB42_34 C_AB42_39 1 0.000000e+00 4.699793e-06 ; 3.205051e-01 -4.699793e-06 9.315130e-03 3.758499e-03 0.000485 0.000060 True native_MD 7 299 335 CD2_AB42_34 O_AB42_39 1 3.622578e-04 2.825206e-07 ; 3.033929e-01 1.161249e-01 6.834514e-03 4.218300e-03 0.000485 0.001191 True native_MD 7 299 336 -CD2_AB42_34 N_AB42_40 1 0.000000e+00 2.731158e-06 ; 3.063307e-01 -2.731158e-06 6.055049e-03 1.764784e-03 0.000485 0.000060 True native_MD 7 299 337 +CD2_AB42_34 N_AB42_40 1 0.000000e+00 2.731132e-06 ; 3.063305e-01 -2.731132e-06 6.055049e-03 1.764784e-03 0.000485 0.000060 True native_MD 7 299 337 CD2_AB42_34 CA_AB42_40 1 3.787715e-03 2.121166e-05 ; 4.214049e-01 1.690907e-01 4.877179e-02 1.001337e-02 0.000485 0.001932 True native_MD 7 299 339 CD2_AB42_34 CB_AB42_40 1 2.369699e-03 7.569221e-06 ; 3.837600e-01 1.854706e-01 1.035077e-01 1.301668e-02 0.000485 0.001932 True native_MD 7 299 340 CD2_AB42_34 CG1_AB42_40 1 1.678703e-03 3.225629e-06 ; 3.525928e-01 2.184105e-01 8.069396e-02 1.041408e-02 0.000485 0.005315 True native_MD 7 299 341 CD2_AB42_34 CG2_AB42_40 1 1.638746e-03 2.974159e-06 ; 3.492546e-01 2.257350e-01 1.023417e-01 1.060812e-02 0.000485 0.005315 True native_MD 7 299 342 -CD2_AB42_34 C_AB42_40 1 0.000000e+00 4.703463e-06 ; 3.205259e-01 -4.703463e-06 7.212464e-03 2.419280e-03 0.000485 0.000060 True native_MD 7 299 343 +CD2_AB42_34 C_AB42_40 1 0.000000e+00 4.703401e-06 ; 3.205256e-01 -4.703401e-06 7.212464e-03 2.419280e-03 0.000485 0.000060 True native_MD 7 299 343 CD2_AB42_34 O_AB42_40 1 4.531769e-04 3.700330e-07 ; 3.057235e-01 1.387506e-01 7.027971e-03 2.203945e-03 0.000485 0.001191 True native_MD 7 299 344 -CD2_AB42_34 N_AB42_41 1 0.000000e+00 2.736805e-06 ; 3.063835e-01 -2.736805e-06 4.006714e-03 1.775281e-03 0.000485 0.000060 True native_MD 7 299 345 +CD2_AB42_34 N_AB42_41 1 0.000000e+00 2.736780e-06 ; 3.063832e-01 -2.736780e-06 4.006714e-03 1.775281e-03 0.000485 0.000060 True native_MD 7 299 345 CD2_AB42_34 CA_AB42_41 1 3.756932e-03 2.206872e-05 ; 4.247734e-01 1.598930e-01 1.768845e-02 4.782344e-03 0.000485 0.001932 True native_MD 7 299 347 CD2_AB42_34 CB_AB42_41 1 2.302675e-03 8.054976e-06 ; 3.896176e-01 1.645664e-01 3.168385e-02 7.448197e-03 0.000485 0.001932 True native_MD 7 299 348 CD2_AB42_34 CG1_AB42_41 1 1.780353e-03 4.523210e-06 ; 3.693942e-01 1.751885e-01 3.398507e-02 7.015585e-03 0.000485 0.002332 True native_MD 7 299 349 CD2_AB42_34 CG2_AB42_41 1 1.240671e-03 1.976693e-06 ; 3.417541e-01 1.946769e-01 2.143873e-02 5.629074e-03 0.000485 0.005315 True native_MD 7 299 350 CD2_AB42_34 CD_AB42_41 1 1.552140e-03 3.059162e-06 ; 3.540886e-01 1.968790e-01 3.588055e-02 8.820172e-03 0.000485 0.005315 True native_MD 7 299 351 -CD2_AB42_34 C_AB42_41 1 0.000000e+00 4.704182e-06 ; 3.205300e-01 -4.704182e-06 6.172469e-03 1.531494e-03 0.000485 0.000060 True native_MD 7 299 352 +CD2_AB42_34 C_AB42_41 1 0.000000e+00 4.704120e-06 ; 3.205296e-01 -4.704120e-06 6.172469e-03 1.531494e-03 0.000485 0.000060 True native_MD 7 299 352 CD2_AB42_34 O_AB42_41 1 5.388648e-04 4.736594e-07 ; 3.095027e-01 1.532616e-01 7.260002e-03 1.474732e-03 0.000485 0.001191 True native_MD 7 299 353 -CD2_AB42_34 N_AB42_42 1 0.000000e+00 2.737378e-06 ; 3.063888e-01 -2.737378e-06 3.134543e-03 1.111916e-03 0.000485 0.000060 True native_MD 7 299 354 +CD2_AB42_34 N_AB42_42 1 0.000000e+00 2.737352e-06 ; 3.063886e-01 -2.737352e-06 3.134543e-03 1.111916e-03 0.000485 0.000060 True native_MD 7 299 354 CD2_AB42_34 CA_AB42_42 1 1.677758e-03 4.968658e-06 ; 3.789527e-01 1.416313e-01 1.108029e-02 5.174205e-03 0.000485 0.001932 True native_MD 7 299 356 CD2_AB42_34 CB_AB42_42 1 1.219420e-03 2.135464e-06 ; 3.471814e-01 1.740821e-01 1.092875e-02 5.095004e-03 0.000485 0.005315 True native_MD 7 299 357 -CD2_AB42_34 C_AB42_42 1 0.000000e+00 4.729417e-06 ; 3.206729e-01 -4.729417e-06 1.494326e-03 2.192816e-03 0.000485 0.000060 True native_MD 7 299 358 -CD2_AB42_34 O1_AB42_42 1 0.000000e+00 1.218512e-06 ; 2.864051e-01 -1.218512e-06 5.169645e-04 1.376923e-03 0.000485 0.000060 True native_MD 7 299 359 -CD2_AB42_34 O2_AB42_42 1 0.000000e+00 1.218512e-06 ; 2.864051e-01 -1.218512e-06 5.169645e-04 1.376923e-03 0.000485 0.000060 True native_MD 7 299 360 - C_AB42_34 CB_AB42_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 300 305 - C_AB42_34 CG_AB42_35 1 0.000000e+00 6.331970e-06 ; 3.285665e-01 -6.331970e-06 9.998829e-01 9.995686e-01 0.000485 0.000060 True native_MD 4 300 306 - C_AB42_34 SD_AB42_35 1 0.000000e+00 2.208858e-06 ; 3.009601e-01 -2.208858e-06 3.550957e-01 1.853154e-01 0.000485 0.000060 True native_MD 5 300 307 - C_AB42_34 CE_AB42_35 1 0.000000e+00 4.352125e-06 ; 3.184589e-01 -4.352125e-06 1.509087e-01 7.177597e-02 0.000485 0.000060 True native_MD 6 300 308 - C_AB42_34 O_AB42_35 1 0.000000e+00 8.362653e-07 ; 2.775601e-01 -8.362653e-07 8.868467e-01 8.981201e-01 0.000485 0.000060 True native_MD 4 300 310 - C_AB42_34 N_AB42_36 1 0.000000e+00 1.469580e-06 ; 2.909116e-01 -1.469580e-06 9.949683e-01 9.693944e-01 0.000485 0.000060 True native_MD 4 300 311 - C_AB42_34 CA_AB42_36 1 0.000000e+00 1.151528e-05 ; 3.453567e-01 -1.151528e-05 9.698088e-01 8.520799e-01 0.000485 0.000060 True native_MD 5 300 313 - C_AB42_34 CB_AB42_36 1 0.000000e+00 1.042608e-05 ; 3.425088e-01 -1.042608e-05 5.825346e-01 3.813540e-01 0.000485 0.000060 True native_MD 6 300 314 - C_AB42_34 CG1_AB42_36 1 0.000000e+00 4.881728e-06 ; 3.215211e-01 -4.881728e-06 8.642915e-02 1.193551e-01 0.000485 0.000060 True native_MD 7 300 315 - C_AB42_34 CG2_AB42_36 1 0.000000e+00 4.518936e-06 ; 3.194587e-01 -4.518936e-06 2.393920e-01 1.955548e-01 0.000485 0.000060 True native_MD 7 300 316 - C_AB42_34 C_AB42_36 1 0.000000e+00 2.144935e-06 ; 3.002245e-01 -2.144935e-06 3.473097e-01 1.727387e-01 0.000485 0.000060 True native_MD 6 300 317 +CD2_AB42_34 C_AB42_42 1 0.000000e+00 4.729355e-06 ; 3.206726e-01 -4.729355e-06 1.494326e-03 2.192816e-03 0.000485 0.000060 True native_MD 7 299 358 +CD2_AB42_34 O1_AB42_42 1 0.000000e+00 1.218512e-06 ; 2.864052e-01 -1.218512e-06 5.169645e-04 1.376923e-03 0.000485 0.000060 True native_MD 7 299 359 +CD2_AB42_34 O2_AB42_42 1 0.000000e+00 1.218512e-06 ; 2.864052e-01 -1.218512e-06 5.169645e-04 1.376923e-03 0.000485 0.000060 True native_MD 7 299 360 + C_AB42_34 CB_AB42_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 300 305 + C_AB42_34 CG_AB42_35 1 0.000000e+00 6.331864e-06 ; 3.285660e-01 -6.331864e-06 9.998829e-01 9.995686e-01 0.000485 0.000060 True native_MD 4 300 306 + C_AB42_34 SD_AB42_35 1 0.000000e+00 2.208852e-06 ; 3.009601e-01 -2.208852e-06 3.550957e-01 1.853154e-01 0.000485 0.000060 True native_MD 5 300 307 + C_AB42_34 CE_AB42_35 1 0.000000e+00 4.352068e-06 ; 3.184586e-01 -4.352068e-06 1.509087e-01 7.177597e-02 0.000485 0.000060 True native_MD 6 300 308 + C_AB42_34 O_AB42_35 1 0.000000e+00 8.362615e-07 ; 2.775600e-01 -8.362615e-07 8.868467e-01 8.981201e-01 0.000485 0.000060 True native_MD 4 300 310 + C_AB42_34 N_AB42_36 1 0.000000e+00 1.469559e-06 ; 2.909113e-01 -1.469559e-06 9.949683e-01 9.693944e-01 0.000485 0.000060 True native_MD 4 300 311 + C_AB42_34 CA_AB42_36 1 0.000000e+00 1.151522e-05 ; 3.453566e-01 -1.151522e-05 9.698088e-01 8.520799e-01 0.000485 0.000060 True native_MD 5 300 313 + C_AB42_34 CB_AB42_36 1 0.000000e+00 1.042603e-05 ; 3.425087e-01 -1.042603e-05 5.825346e-01 3.813540e-01 0.000485 0.000060 True native_MD 6 300 314 + C_AB42_34 CG1_AB42_36 1 0.000000e+00 4.881664e-06 ; 3.215207e-01 -4.881664e-06 8.642915e-02 1.193551e-01 0.000485 0.000060 True native_MD 7 300 315 + C_AB42_34 CG2_AB42_36 1 0.000000e+00 4.518877e-06 ; 3.194583e-01 -4.518877e-06 2.393920e-01 1.955548e-01 0.000485 0.000060 True native_MD 7 300 316 + C_AB42_34 C_AB42_36 1 0.000000e+00 2.144897e-06 ; 3.002241e-01 -2.144897e-06 3.473097e-01 1.727387e-01 0.000485 0.000060 True native_MD 6 300 317 C_AB42_34 O_AB42_36 1 1.002214e-03 2.064879e-06 ; 3.567158e-01 1.216090e-01 1.182456e-01 1.126833e-01 0.000485 0.002166 True native_MD 7 300 318 C_AB42_34 N_AB42_37 1 9.853596e-04 1.518456e-06 ; 3.398609e-01 1.598554e-01 3.573289e-01 1.084083e-01 0.000485 0.002166 True native_MD 7 300 319 C_AB42_34 CA_AB42_37 1 2.647507e-03 1.142528e-05 ; 4.034952e-01 1.533724e-01 3.142224e-01 8.463394e-02 0.000485 0.001584 True native_MD 7 300 321 @@ -49569,15 +49569,15 @@ CD2_AB42_34 O2_AB42_42 1 0.000000e+00 1.218512e-06 ; 2.864051e-01 -1.218512 C_AB42_34 O_AB42_38 1 1.072456e-03 1.710262e-06 ; 3.418067e-01 1.681266e-01 1.023886e-02 2.425229e-03 0.000485 0.002166 True native_MD 7 300 328 C_AB42_34 N_AB42_39 1 1.976342e-03 4.357339e-06 ; 3.607668e-01 2.241006e-01 4.882527e-02 1.026380e-03 0.000485 0.002166 True native_MD 7 300 329 C_AB42_34 CA_AB42_39 1 3.884893e-03 1.900670e-05 ; 4.120228e-01 1.985141e-01 6.413796e-02 3.782085e-03 0.000485 0.001339 True native_MD 7 300 331 - C_AB42_34 CB_AB42_39 1 0.000000e+00 1.229829e-05 ; 3.472552e-01 -1.229829e-05 6.785581e-02 1.011890e-02 0.000485 0.000060 True native_MD 7 300 332 - C_AB42_34 CG1_AB42_39 1 0.000000e+00 4.673582e-06 ; 3.203557e-01 -4.673582e-06 1.974997e-02 8.634247e-03 0.000485 0.000060 True native_MD 7 300 333 - C_AB42_34 CG2_AB42_39 1 0.000000e+00 4.490613e-06 ; 3.192913e-01 -4.490613e-06 6.375634e-02 1.392628e-02 0.000485 0.000060 True native_MD 7 300 334 + C_AB42_34 CB_AB42_39 1 0.000000e+00 1.229823e-05 ; 3.472550e-01 -1.229823e-05 6.785581e-02 1.011890e-02 0.000485 0.000060 True native_MD 7 300 332 + C_AB42_34 CG1_AB42_39 1 0.000000e+00 4.673520e-06 ; 3.203554e-01 -4.673520e-06 1.974997e-02 8.634247e-03 0.000485 0.000060 True native_MD 7 300 333 + C_AB42_34 CG2_AB42_39 1 0.000000e+00 4.490554e-06 ; 3.192910e-01 -4.490554e-06 6.375634e-02 1.392628e-02 0.000485 0.000060 True native_MD 7 300 334 C_AB42_34 C_AB42_39 1 4.100671e-03 2.039364e-05 ; 4.131489e-01 2.061366e-01 2.852147e-02 2.737722e-04 0.000485 0.002166 True native_MD 7 300 335 C_AB42_34 O_AB42_39 1 9.969457e-04 1.155398e-06 ; 3.240983e-01 2.150559e-01 3.724712e-02 1.803464e-03 0.000485 0.002166 True native_MD 7 300 336 C_AB42_34 N_AB42_40 1 1.441459e-03 2.706466e-06 ; 3.512368e-01 1.919297e-01 1.864361e-02 1.599789e-04 0.000485 0.002166 True native_MD 7 300 337 C_AB42_34 CA_AB42_40 1 3.332107e-03 1.310248e-05 ; 3.972883e-01 2.118481e-01 5.838041e-02 2.309862e-03 0.000485 0.001339 True native_MD 7 300 339 C_AB42_34 CB_AB42_40 1 1.570384e-03 7.413466e-06 ; 4.095773e-01 8.316307e-02 6.081033e-02 5.048179e-03 0.000485 0.000060 True native_MD 7 300 340 - C_AB42_34 CG1_AB42_40 1 0.000000e+00 4.580581e-06 ; 3.198196e-01 -4.580581e-06 3.571927e-02 4.925512e-03 0.000485 0.000060 True native_MD 7 300 341 + C_AB42_34 CG1_AB42_40 1 0.000000e+00 4.580521e-06 ; 3.198192e-01 -4.580521e-06 3.571927e-02 4.925512e-03 0.000485 0.000060 True native_MD 7 300 341 C_AB42_34 CG2_AB42_40 1 7.124370e-04 1.703423e-06 ; 3.656756e-01 7.449214e-02 5.056521e-02 5.441296e-03 0.000485 0.000060 True native_MD 7 300 342 C_AB42_34 C_AB42_40 1 4.218397e-03 2.217594e-05 ; 4.169869e-01 2.006101e-01 2.417387e-02 1.299124e-04 0.000485 0.002166 True native_MD 7 300 343 C_AB42_34 O_AB42_40 1 1.049402e-03 1.986804e-06 ; 3.517241e-01 1.385699e-01 3.775983e-03 3.323102e-04 0.000485 0.002166 True native_MD 7 300 344 @@ -49585,23 +49585,23 @@ CD2_AB42_34 O2_AB42_42 1 0.000000e+00 1.218512e-06 ; 2.864051e-01 -1.218512 C_AB42_34 CA_AB42_41 1 5.799525e-03 4.089328e-05 ; 4.379017e-01 2.056235e-01 2.808691e-02 3.225558e-04 0.000485 0.001339 True native_MD 7 300 347 C_AB42_34 CB_AB42_41 1 2.407948e-03 1.305896e-05 ; 4.191572e-01 1.110007e-01 3.461060e-02 1.249021e-03 0.000485 0.000060 True native_MD 7 300 348 C_AB42_34 CG1_AB42_41 1 1.323071e-03 4.263335e-06 ; 3.843212e-01 1.026495e-01 3.794510e-02 1.758143e-03 0.000485 0.000060 True native_MD 7 300 349 - C_AB42_34 CG2_AB42_41 1 0.000000e+00 4.671026e-06 ; 3.203411e-01 -4.671026e-06 1.332404e-02 1.667506e-03 0.000485 0.000060 True native_MD 7 300 350 - C_AB42_34 CD_AB42_41 1 0.000000e+00 4.613360e-06 ; 3.200097e-01 -4.613360e-06 2.757273e-02 3.714760e-03 0.000485 0.000060 True native_MD 7 300 351 + C_AB42_34 CG2_AB42_41 1 0.000000e+00 4.670965e-06 ; 3.203408e-01 -4.670965e-06 1.332404e-02 1.667506e-03 0.000485 0.000060 True native_MD 7 300 350 + C_AB42_34 CD_AB42_41 1 0.000000e+00 4.613300e-06 ; 3.200093e-01 -4.613300e-06 2.757273e-02 3.714760e-03 0.000485 0.000060 True native_MD 7 300 351 C_AB42_34 C_AB42_41 1 2.943632e-03 1.650541e-05 ; 4.214931e-01 1.312444e-01 3.032654e-03 3.456658e-05 0.000485 0.002166 True native_MD 7 300 352 C_AB42_34 O_AB42_41 1 1.116852e-03 2.213396e-06 ; 3.544138e-01 1.408874e-01 4.047154e-03 1.000071e-04 0.000485 0.002166 True native_MD 7 300 353 C_AB42_34 CA_AB42_42 1 4.060750e-03 3.855037e-05 ; 4.601545e-01 1.069360e-01 1.465195e-03 6.722573e-04 0.000485 0.001339 True native_MD 7 300 356 - C_AB42_34 CB_AB42_42 1 0.000000e+00 4.722416e-06 ; 3.206333e-01 -4.722416e-06 2.053403e-03 1.270612e-03 0.000485 0.000060 True native_MD 7 300 357 + C_AB42_34 CB_AB42_42 1 0.000000e+00 4.722354e-06 ; 3.206330e-01 -4.722354e-06 2.053403e-03 1.270612e-03 0.000485 0.000060 True native_MD 7 300 357 O_AB42_34 O_AB42_34 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 301 O_AB42_34 H_AB42_35 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 303 - O_AB42_34 CB_AB42_35 1 0.000000e+00 2.015614e-06 ; 2.986728e-01 -2.015614e-06 1.000000e+00 9.999790e-01 0.000485 0.000060 True native_MD 4 301 305 - O_AB42_34 CG_AB42_35 1 0.000000e+00 2.014721e-06 ; 2.986617e-01 -2.014721e-06 5.987718e-01 5.983079e-01 0.000485 0.000060 True native_MD 5 301 306 - O_AB42_34 SD_AB42_35 1 0.000000e+00 7.664300e-07 ; 2.755504e-01 -7.664300e-07 1.684226e-01 7.364787e-02 0.000485 0.000060 True native_MD 6 301 307 + O_AB42_34 CB_AB42_35 1 0.000000e+00 2.015606e-06 ; 2.986727e-01 -2.015606e-06 1.000000e+00 9.999790e-01 0.000485 0.000060 True native_MD 4 301 305 + O_AB42_34 CG_AB42_35 1 0.000000e+00 2.014714e-06 ; 2.986616e-01 -2.014714e-06 5.987718e-01 5.983079e-01 0.000485 0.000060 True native_MD 5 301 306 + O_AB42_34 SD_AB42_35 1 0.000000e+00 7.664381e-07 ; 2.755506e-01 -7.664381e-07 1.684226e-01 7.364787e-02 0.000485 0.000060 True native_MD 6 301 307 O_AB42_34 CE_AB42_35 1 7.190789e-04 1.196507e-06 ; 3.442361e-01 1.080383e-01 3.985952e-02 3.133724e-02 0.000485 0.001191 True native_MD 7 301 308 - O_AB42_34 C_AB42_35 1 0.000000e+00 8.228648e-07 ; 2.771867e-01 -8.228648e-07 9.999816e-01 9.950501e-01 0.000485 0.000060 True native_MD 4 301 309 + O_AB42_34 C_AB42_35 1 0.000000e+00 8.228610e-07 ; 2.771866e-01 -8.228610e-07 9.999816e-01 9.950501e-01 0.000485 0.000060 True native_MD 4 301 309 O_AB42_34 O_AB42_35 1 0.000000e+00 1.383057e-06 ; 2.894443e-01 -1.383057e-06 9.248403e-01 8.468782e-01 0.000485 0.000060 True native_MD 5 301 310 O_AB42_34 N_AB42_36 1 0.000000e+00 1.386171e-06 ; 2.894986e-01 -1.386171e-06 9.668019e-01 8.909159e-01 0.000485 0.000060 True native_MD 5 301 311 - O_AB42_34 H_AB42_36 1 0.000000e+00 1.359065e-08 ; 1.969088e-01 -1.359065e-08 2.729787e-01 1.488795e-01 0.000485 0.000060 True native_MD 6 301 312 - O_AB42_34 CA_AB42_36 1 0.000000e+00 3.532849e-06 ; 3.129720e-01 -3.532849e-06 7.178138e-01 5.683865e-01 0.000485 0.000060 True native_MD 6 301 313 + O_AB42_34 H_AB42_36 1 0.000000e+00 1.359087e-08 ; 1.969090e-01 -1.359087e-08 2.729787e-01 1.488795e-01 0.000485 0.000060 True native_MD 6 301 312 + O_AB42_34 CA_AB42_36 1 0.000000e+00 3.532877e-06 ; 3.129722e-01 -3.532877e-06 7.178138e-01 5.683865e-01 0.000485 0.000060 True native_MD 6 301 313 O_AB42_34 CB_AB42_36 1 1.486043e-03 5.657768e-06 ; 3.951563e-01 9.757928e-02 1.939724e-01 2.085461e-01 0.000485 0.001191 True native_MD 7 301 314 O_AB42_34 CG1_AB42_36 1 4.095294e-04 5.282992e-07 ; 3.299381e-01 7.936522e-02 6.211015e-02 1.151717e-01 0.000485 0.001191 True native_MD 7 301 315 O_AB42_34 CG2_AB42_36 1 5.281524e-04 6.815234e-07 ; 3.299541e-01 1.023241e-01 1.517137e-01 1.415206e-01 0.000485 0.001191 True native_MD 7 301 316 @@ -49648,47 +49648,47 @@ CD2_AB42_34 O2_AB42_42 1 0.000000e+00 1.218512e-06 ; 2.864051e-01 -1.218512 O_AB42_34 CB_AB42_42 1 4.995185e-04 5.633623e-07 ; 3.226310e-01 1.107275e-01 1.770174e-03 1.284087e-03 0.000485 0.001191 True native_MD 7 301 357 O_AB42_34 O1_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 359 O_AB42_34 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 360 - N_AB42_35 CB_AB42_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 305 - N_AB42_35 CG_AB42_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 306 - N_AB42_35 SD_AB42_35 1 0.000000e+00 1.404201e-06 ; 2.898105e-01 -1.404201e-06 6.696456e-01 5.790245e-01 0.000485 0.000060 True native_MD 4 302 307 - N_AB42_35 CE_AB42_35 1 0.000000e+00 2.587728e-06 ; 3.049567e-01 -2.587728e-06 2.923241e-01 2.357430e-01 0.000485 0.000060 True native_MD 5 302 308 - N_AB42_35 CA_AB42_36 1 0.000000e+00 7.574614e-06 ; 3.335096e-01 -7.574614e-06 1.000000e+00 9.999497e-01 0.000485 0.000060 True native_MD 4 302 313 - N_AB42_35 CB_AB42_36 1 0.000000e+00 5.162882e-06 ; 3.230249e-01 -5.162882e-06 8.316479e-01 5.132170e-01 0.000485 0.000060 True native_MD 5 302 314 - N_AB42_35 CG1_AB42_36 1 0.000000e+00 2.751699e-06 ; 3.065221e-01 -2.751699e-06 1.021027e-01 1.053009e-01 0.000485 0.000060 True native_MD 6 302 315 - N_AB42_35 CG2_AB42_36 1 0.000000e+00 2.193729e-06 ; 3.007878e-01 -2.193729e-06 4.344944e-01 2.342712e-01 0.000485 0.000060 True native_MD 6 302 316 - N_AB42_35 C_AB42_36 1 0.000000e+00 1.248912e-06 ; 2.869939e-01 -1.248912e-06 2.725996e-01 1.007092e-01 0.000485 0.000060 True native_MD 5 302 317 + N_AB42_35 CB_AB42_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 305 + N_AB42_35 CG_AB42_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 306 + N_AB42_35 SD_AB42_35 1 0.000000e+00 1.404203e-06 ; 2.898105e-01 -1.404203e-06 6.696456e-01 5.790245e-01 0.000485 0.000060 True native_MD 4 302 307 + N_AB42_35 CE_AB42_35 1 0.000000e+00 2.587704e-06 ; 3.049565e-01 -2.587704e-06 2.923241e-01 2.357430e-01 0.000485 0.000060 True native_MD 5 302 308 + N_AB42_35 CA_AB42_36 1 0.000000e+00 7.574602e-06 ; 3.335096e-01 -7.574602e-06 1.000000e+00 9.999497e-01 0.000485 0.000060 True native_MD 4 302 313 + N_AB42_35 CB_AB42_36 1 0.000000e+00 5.162874e-06 ; 3.230249e-01 -5.162874e-06 8.316479e-01 5.132170e-01 0.000485 0.000060 True native_MD 5 302 314 + N_AB42_35 CG1_AB42_36 1 0.000000e+00 2.751673e-06 ; 3.065218e-01 -2.751673e-06 1.021027e-01 1.053009e-01 0.000485 0.000060 True native_MD 6 302 315 + N_AB42_35 CG2_AB42_36 1 0.000000e+00 2.193708e-06 ; 3.007876e-01 -2.193708e-06 4.344944e-01 2.342712e-01 0.000485 0.000060 True native_MD 6 302 316 + N_AB42_35 C_AB42_36 1 0.000000e+00 1.248895e-06 ; 2.869936e-01 -1.248895e-06 2.725996e-01 1.007092e-01 0.000485 0.000060 True native_MD 5 302 317 N_AB42_35 O_AB42_36 1 0.000000e+00 1.434878e-06 ; 2.903329e-01 -1.434878e-06 2.001083e-01 1.566937e-01 0.000485 0.000060 True native_MD 6 302 318 - N_AB42_35 N_AB42_37 1 0.000000e+00 7.127589e-07 ; 2.738883e-01 -7.127589e-07 2.525929e-01 6.690089e-02 0.000485 0.000060 True native_MD 6 302 319 + N_AB42_35 N_AB42_37 1 0.000000e+00 7.127514e-07 ; 2.738881e-01 -7.127514e-07 2.525929e-01 6.690089e-02 0.000485 0.000060 True native_MD 6 302 319 N_AB42_35 CA_AB42_37 1 4.748781e-03 3.336231e-05 ; 4.376353e-01 1.689850e-01 5.234042e-02 8.835646e-03 0.000485 0.001584 True native_MD 7 302 321 N_AB42_35 O_AB42_37 1 1.731304e-03 4.493383e-06 ; 3.707092e-01 1.667682e-01 1.348351e-02 3.326331e-03 0.000485 0.002166 True native_MD 7 302 323 - N_AB42_35 N_AB42_38 1 0.000000e+00 8.709855e-07 ; 2.785026e-01 -8.709855e-07 8.613280e-03 3.690963e-03 0.000485 0.000060 True native_MD 7 302 324 + N_AB42_35 N_AB42_38 1 0.000000e+00 8.709764e-07 ; 2.785024e-01 -8.709764e-07 8.613280e-03 3.690963e-03 0.000485 0.000060 True native_MD 7 302 324 N_AB42_35 CA_AB42_38 1 2.645481e-03 1.358848e-05 ; 4.153789e-01 1.287592e-01 1.789882e-02 1.006993e-02 0.000485 0.001584 True native_MD 7 302 326 N_AB42_35 C_AB42_38 1 1.431312e-03 5.562177e-06 ; 3.965078e-01 9.207962e-02 9.393158e-04 7.675692e-04 0.000485 0.002166 True native_MD 7 302 327 N_AB42_35 O_AB42_38 1 6.727295e-04 8.932182e-07 ; 3.315275e-01 1.266670e-01 3.650452e-03 2.990138e-03 0.000485 0.002166 True native_MD 7 302 328 N_AB42_35 N_AB42_39 1 1.783119e-03 5.786626e-06 ; 3.847756e-01 1.373647e-01 3.642228e-03 9.091367e-06 0.000485 0.000060 True native_MD 7 302 329 N_AB42_35 CA_AB42_39 1 5.652611e-03 3.890607e-05 ; 4.361421e-01 2.053150e-01 2.782881e-02 9.680864e-04 0.000485 0.001339 True native_MD 7 302 331 N_AB42_35 CB_AB42_39 1 1.227211e-03 5.001395e-06 ; 3.996643e-01 7.528128e-02 3.241548e-02 3.406801e-03 0.000485 0.000060 True native_MD 7 302 332 - N_AB42_35 CG1_AB42_39 1 0.000000e+00 2.742995e-06 ; 3.064412e-01 -2.742995e-06 4.945923e-03 4.971151e-03 0.000485 0.000060 True native_MD 7 302 333 - N_AB42_35 CG2_AB42_39 1 0.000000e+00 2.726141e-06 ; 3.062838e-01 -2.726141e-06 1.392061e-02 7.801297e-03 0.000485 0.000060 True native_MD 7 302 334 + N_AB42_35 CG1_AB42_39 1 0.000000e+00 2.742969e-06 ; 3.064409e-01 -2.742969e-06 4.945923e-03 4.971151e-03 0.000485 0.000060 True native_MD 7 302 333 + N_AB42_35 CG2_AB42_39 1 0.000000e+00 2.726116e-06 ; 3.062836e-01 -2.726116e-06 1.392061e-02 7.801297e-03 0.000485 0.000060 True native_MD 7 302 334 N_AB42_35 C_AB42_39 1 1.622537e-03 3.709782e-06 ; 3.629602e-01 1.774112e-01 1.207362e-02 1.976483e-04 0.000485 0.002166 True native_MD 7 302 335 N_AB42_35 O_AB42_39 1 2.835033e-04 9.137226e-08 ; 2.618440e-01 2.199085e-01 5.087538e-02 2.558723e-03 0.000485 0.002166 True native_MD 7 302 336 N_AB42_35 N_AB42_40 1 1.589494e-03 4.998074e-06 ; 3.827577e-01 1.263733e-01 2.621291e-03 0.000000e+00 0.000485 0.000060 True native_MD 7 302 337 N_AB42_35 CA_AB42_40 1 4.638020e-03 2.405214e-05 ; 4.160417e-01 2.235896e-01 4.808423e-02 1.129612e-03 0.000485 0.001339 True native_MD 7 302 339 N_AB42_35 CB_AB42_40 1 1.515111e-03 6.414612e-06 ; 4.022114e-01 8.946605e-02 3.623901e-02 2.491242e-03 0.000485 0.000060 True native_MD 7 302 340 - N_AB42_35 CG1_AB42_40 1 0.000000e+00 2.712241e-06 ; 3.061534e-01 -2.712241e-06 1.473064e-02 3.543648e-03 0.000485 0.000060 True native_MD 7 302 341 - N_AB42_35 CG2_AB42_40 1 0.000000e+00 2.678753e-06 ; 3.058366e-01 -2.678753e-06 2.675292e-02 3.356994e-03 0.000485 0.000060 True native_MD 7 302 342 + N_AB42_35 CG1_AB42_40 1 0.000000e+00 2.712215e-06 ; 3.061531e-01 -2.712215e-06 1.473064e-02 3.543648e-03 0.000485 0.000060 True native_MD 7 302 341 + N_AB42_35 CG2_AB42_40 1 0.000000e+00 2.678728e-06 ; 3.058363e-01 -2.678728e-06 2.675292e-02 3.356994e-03 0.000485 0.000060 True native_MD 7 302 342 N_AB42_35 C_AB42_40 1 1.219890e-03 4.887774e-06 ; 3.985337e-01 7.611494e-02 5.825377e-04 3.322915e-05 0.000485 0.002166 True native_MD 7 302 343 N_AB42_35 O_AB42_40 1 7.483660e-04 8.685981e-07 ; 3.241784e-01 1.611942e-01 7.431391e-03 3.577141e-04 0.000485 0.002166 True native_MD 7 302 344 N_AB42_35 N_AB42_41 1 1.229920e-03 4.274474e-06 ; 3.891953e-01 8.847308e-02 8.432155e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 302 345 N_AB42_35 CA_AB42_41 1 3.213863e-03 2.636076e-05 ; 4.490780e-01 9.795729e-02 1.119958e-03 7.715989e-05 0.000485 0.001339 True native_MD 7 302 347 N_AB42_35 CB_AB42_41 1 2.917656e-03 2.255806e-05 ; 4.446769e-01 9.434227e-02 4.929694e-03 2.928768e-04 0.000485 0.000060 True native_MD 7 302 348 N_AB42_35 CG1_AB42_41 1 1.261677e-03 4.476632e-06 ; 3.905415e-01 8.889662e-02 1.019739e-02 7.130653e-04 0.000485 0.000060 True native_MD 7 302 349 - N_AB42_35 CG2_AB42_41 1 0.000000e+00 2.733656e-06 ; 3.063541e-01 -2.733656e-06 4.335028e-03 9.553213e-04 0.000485 0.000060 True native_MD 7 302 350 - N_AB42_35 CD_AB42_41 1 0.000000e+00 2.721132e-06 ; 3.062369e-01 -2.721132e-06 9.963554e-03 2.017859e-03 0.000485 0.000060 True native_MD 7 302 351 + N_AB42_35 CG2_AB42_41 1 0.000000e+00 2.733630e-06 ; 3.063538e-01 -2.733630e-06 4.335028e-03 9.553213e-04 0.000485 0.000060 True native_MD 7 302 350 + N_AB42_35 CD_AB42_41 1 0.000000e+00 2.721106e-06 ; 3.062366e-01 -2.721106e-06 9.963554e-03 2.017859e-03 0.000485 0.000060 True native_MD 7 302 351 N_AB42_35 N_AB42_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 302 354 - N_AB42_35 CB_AB42_42 1 0.000000e+00 2.741799e-06 ; 3.064300e-01 -2.741799e-06 1.090672e-03 6.795773e-04 0.000485 0.000060 True native_MD 7 302 357 + N_AB42_35 CB_AB42_42 1 0.000000e+00 2.741773e-06 ; 3.064298e-01 -2.741773e-06 1.090672e-03 6.795773e-04 0.000485 0.000060 True native_MD 7 302 357 H_AB42_35 H_AB42_35 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 303 303 - H_AB42_35 O_AB42_35 1 0.000000e+00 1.893168e-08 ; 2.024234e-01 -1.893168e-08 1.328342e-01 3.529577e-01 0.000485 0.000060 True native_MD 4 303 310 + H_AB42_35 O_AB42_35 1 0.000000e+00 1.893198e-08 ; 2.024237e-01 -1.893198e-08 1.328342e-01 3.529577e-01 0.000485 0.000060 True native_MD 4 303 310 H_AB42_35 H_AB42_36 1 0.000000e+00 8.307896e-09 ; 1.889960e-01 -8.307896e-09 7.316137e-01 4.239384e-01 0.000485 0.000060 True native_MD 5 303 312 H_AB42_35 O_AB42_36 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 303 318 H_AB42_35 H_AB42_37 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 303 320 @@ -49704,14 +49704,14 @@ CD2_AB42_34 O2_AB42_42 1 0.000000e+00 1.218512e-06 ; 2.864051e-01 -1.218512 H_AB42_35 H_AB42_42 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 303 355 H_AB42_35 O1_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 303 359 H_AB42_35 O2_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 303 360 - CA_AB42_35 CE_AB42_35 1 0.000000e+00 2.373807e-05 ; 3.668164e-01 -2.373807e-05 9.999934e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 304 308 - CA_AB42_35 CB_AB42_36 1 0.000000e+00 6.555520e-05 ; 3.992200e-01 -6.555520e-05 1.000000e+00 9.999918e-01 0.000485 0.000060 True native_MD 4 304 314 - CA_AB42_35 CG1_AB42_36 1 0.000000e+00 2.794279e-05 ; 3.718355e-01 -2.794279e-05 4.376901e-01 6.148277e-01 0.000485 0.000060 True native_MD 5 304 315 - CA_AB42_35 CG2_AB42_36 1 0.000000e+00 2.193850e-05 ; 3.644144e-01 -2.193850e-05 9.330967e-01 8.572935e-01 0.000485 0.000060 True native_MD 5 304 316 - CA_AB42_35 C_AB42_36 1 0.000000e+00 1.305190e-05 ; 3.489805e-01 -1.305190e-05 9.999957e-01 9.999981e-01 0.000485 0.000060 True native_MD 4 304 317 - CA_AB42_35 O_AB42_36 1 0.000000e+00 4.441970e-06 ; 3.190017e-01 -4.441970e-06 5.118771e-01 5.813308e-01 0.000485 0.000060 True native_MD 5 304 318 - CA_AB42_35 N_AB42_37 1 0.000000e+00 6.335334e-06 ; 3.285810e-01 -6.335334e-06 6.955497e-01 5.318980e-01 0.000485 0.000060 True native_MD 5 304 319 - CA_AB42_35 CA_AB42_37 1 0.000000e+00 2.680138e-05 ; 3.705454e-01 -2.680138e-05 5.027038e-01 3.451529e-01 0.000485 0.000060 True native_MD 6 304 321 + CA_AB42_35 CE_AB42_35 1 0.000000e+00 2.373806e-05 ; 3.668164e-01 -2.373806e-05 9.999934e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 304 308 + CA_AB42_35 CB_AB42_36 1 0.000000e+00 6.555568e-05 ; 3.992202e-01 -6.555568e-05 1.000000e+00 9.999918e-01 0.000485 0.000060 True native_MD 4 304 314 + CA_AB42_35 CG1_AB42_36 1 0.000000e+00 2.794277e-05 ; 3.718355e-01 -2.794277e-05 4.376901e-01 6.148277e-01 0.000485 0.000060 True native_MD 5 304 315 + CA_AB42_35 CG2_AB42_36 1 0.000000e+00 2.193849e-05 ; 3.644144e-01 -2.193849e-05 9.330967e-01 8.572935e-01 0.000485 0.000060 True native_MD 5 304 316 + CA_AB42_35 C_AB42_36 1 0.000000e+00 1.305183e-05 ; 3.489803e-01 -1.305183e-05 9.999957e-01 9.999981e-01 0.000485 0.000060 True native_MD 4 304 317 + CA_AB42_35 O_AB42_36 1 0.000000e+00 4.442005e-06 ; 3.190019e-01 -4.442005e-06 5.118771e-01 5.813308e-01 0.000485 0.000060 True native_MD 5 304 318 + CA_AB42_35 N_AB42_37 1 0.000000e+00 6.335324e-06 ; 3.285810e-01 -6.335324e-06 6.955497e-01 5.318980e-01 0.000485 0.000060 True native_MD 5 304 319 + CA_AB42_35 CA_AB42_37 1 0.000000e+00 2.680127e-05 ; 3.705453e-01 -2.680127e-05 5.027038e-01 3.451529e-01 0.000485 0.000060 True native_MD 6 304 321 CA_AB42_35 C_AB42_37 1 6.742712e-03 7.959789e-05 ; 4.771752e-01 1.427933e-01 1.715765e-01 5.361164e-02 0.000485 0.001339 True native_MD 7 304 322 CA_AB42_35 O_AB42_37 1 2.437902e-03 9.290672e-06 ; 3.952196e-01 1.599284e-01 1.352969e-01 2.531628e-02 0.000485 0.001339 True native_MD 7 304 323 CA_AB42_35 N_AB42_38 1 2.313307e-03 1.089047e-05 ; 4.093885e-01 1.228456e-01 2.247679e-01 1.275832e-01 0.000485 0.001339 True native_MD 7 304 324 @@ -49743,106 +49743,106 @@ CD2_AB42_34 O2_AB42_42 1 0.000000e+00 1.218512e-06 ; 2.864051e-01 -1.218512 CA_AB42_35 N_AB42_42 1 2.739378e-03 1.819667e-05 ; 4.335674e-01 1.030984e-01 1.306228e-03 4.954722e-04 0.000485 0.001339 True native_MD 7 304 354 CA_AB42_35 CA_AB42_42 1 5.774435e-03 7.693272e-05 ; 4.868931e-01 1.083547e-01 6.966005e-03 4.021840e-03 0.000485 0.000883 True native_MD 7 304 356 CA_AB42_35 CB_AB42_42 1 2.531638e-03 1.142007e-05 ; 4.064850e-01 1.403054e-01 8.324962e-03 4.044895e-03 0.000485 0.001932 True native_MD 7 304 357 - CB_AB42_35 SD_AB42_35 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 305 307 - CB_AB42_35 C_AB42_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 305 309 + CB_AB42_35 SD_AB42_35 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 305 307 + CB_AB42_35 C_AB42_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 305 309 CB_AB42_35 O_AB42_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 305 310 - CB_AB42_35 N_AB42_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 305 311 - CB_AB42_35 CA_AB42_36 1 0.000000e+00 3.181365e-05 ; 3.758773e-01 -3.181365e-05 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 305 313 - CB_AB42_35 CB_AB42_36 1 0.000000e+00 3.124967e-05 ; 3.753175e-01 -3.124967e-05 9.433858e-01 9.256582e-01 0.000485 0.000060 True native_MD 5 305 314 - CB_AB42_35 CG1_AB42_36 1 0.000000e+00 1.088435e-05 ; 3.437388e-01 -1.088435e-05 2.639821e-01 2.088197e-01 0.000485 0.000060 True native_MD 6 305 315 - CB_AB42_35 CG2_AB42_36 1 0.000000e+00 9.414454e-06 ; 3.396080e-01 -9.414454e-06 4.962969e-01 3.135373e-01 0.000485 0.000060 True native_MD 6 305 316 - CB_AB42_35 C_AB42_36 1 0.000000e+00 7.988228e-06 ; 3.349905e-01 -7.988228e-06 1.933086e-01 4.544827e-01 0.000485 0.000060 True native_MD 5 305 317 - CB_AB42_35 O_AB42_36 1 0.000000e+00 2.236263e-06 ; 3.012695e-01 -2.236263e-06 6.424312e-02 1.736896e-01 0.000485 0.000060 True native_MD 6 305 318 - CB_AB42_35 N_AB42_37 1 0.000000e+00 4.174598e-06 ; 3.173556e-01 -4.174598e-06 3.543552e-02 1.710464e-01 0.000485 0.000060 True native_MD 6 305 319 - CB_AB42_35 CA_AB42_37 1 0.000000e+00 1.712135e-05 ; 3.569630e-01 -1.712135e-05 2.639654e-02 1.353712e-01 0.000485 0.001190 True native_MD 7 305 321 - CB_AB42_35 C_AB42_37 1 0.000000e+00 6.484264e-06 ; 3.292179e-01 -6.484264e-06 1.845536e-02 4.218502e-02 0.000485 0.000060 True native_MD 7 305 322 + CB_AB42_35 N_AB42_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 305 311 + CB_AB42_35 CA_AB42_36 1 0.000000e+00 3.181352e-05 ; 3.758772e-01 -3.181352e-05 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 305 313 + CB_AB42_35 CB_AB42_36 1 0.000000e+00 3.124954e-05 ; 3.753173e-01 -3.124954e-05 9.433858e-01 9.256582e-01 0.000485 0.000060 True native_MD 5 305 314 + CB_AB42_35 CG1_AB42_36 1 0.000000e+00 1.088422e-05 ; 3.437384e-01 -1.088422e-05 2.639821e-01 2.088197e-01 0.000485 0.000060 True native_MD 6 305 315 + CB_AB42_35 CG2_AB42_36 1 0.000000e+00 9.414340e-06 ; 3.396077e-01 -9.414340e-06 4.962969e-01 3.135373e-01 0.000485 0.000060 True native_MD 6 305 316 + CB_AB42_35 C_AB42_36 1 0.000000e+00 7.988094e-06 ; 3.349901e-01 -7.988094e-06 1.933086e-01 4.544827e-01 0.000485 0.000060 True native_MD 5 305 317 + CB_AB42_35 O_AB42_36 1 0.000000e+00 2.236254e-06 ; 3.012695e-01 -2.236254e-06 6.424312e-02 1.736896e-01 0.000485 0.000060 True native_MD 6 305 318 + CB_AB42_35 N_AB42_37 1 0.000000e+00 4.174543e-06 ; 3.173553e-01 -4.174543e-06 3.543552e-02 1.710464e-01 0.000485 0.000060 True native_MD 6 305 319 + CB_AB42_35 CA_AB42_37 1 0.000000e+00 1.712108e-05 ; 3.569625e-01 -1.712108e-05 2.639654e-02 1.353712e-01 0.000485 0.001190 True native_MD 7 305 321 + CB_AB42_35 C_AB42_37 1 0.000000e+00 6.484155e-06 ; 3.292174e-01 -6.484155e-06 1.845536e-02 4.218502e-02 0.000485 0.000060 True native_MD 7 305 322 CB_AB42_35 O_AB42_37 1 3.298914e-04 3.835866e-07 ; 3.242764e-01 7.092815e-02 8.617067e-03 2.056821e-02 0.000485 0.001191 True native_MD 7 305 323 - CB_AB42_35 N_AB42_38 1 0.000000e+00 3.593428e-06 ; 3.134157e-01 -3.593428e-06 8.726697e-02 6.478272e-02 0.000485 0.000060 True native_MD 7 305 324 + CB_AB42_35 N_AB42_38 1 0.000000e+00 3.593380e-06 ; 3.134154e-01 -3.593380e-06 8.726697e-02 6.478272e-02 0.000485 0.000060 True native_MD 7 305 324 CB_AB42_35 CA_AB42_38 1 1.355287e-03 4.115096e-06 ; 3.805322e-01 1.115893e-01 1.286612e-01 9.092983e-02 0.000485 0.001190 True native_MD 7 305 326 - CB_AB42_35 C_AB42_38 1 0.000000e+00 6.078717e-06 ; 3.274508e-01 -6.078717e-06 7.067925e-02 3.038148e-02 0.000485 0.000060 True native_MD 7 305 327 + CB_AB42_35 C_AB42_38 1 0.000000e+00 6.078614e-06 ; 3.274503e-01 -6.078614e-06 7.067925e-02 3.038148e-02 0.000485 0.000060 True native_MD 7 305 327 CB_AB42_35 O_AB42_38 1 5.410938e-04 5.973539e-07 ; 3.214844e-01 1.225331e-01 3.075536e-02 1.566987e-02 0.000485 0.001191 True native_MD 7 305 328 - CB_AB42_35 N_AB42_39 1 0.000000e+00 3.508978e-06 ; 3.127952e-01 -3.508978e-06 5.775511e-02 1.229822e-02 0.000485 0.000060 True native_MD 7 305 329 + CB_AB42_35 N_AB42_39 1 0.000000e+00 3.508932e-06 ; 3.127948e-01 -3.508932e-06 5.775511e-02 1.229822e-02 0.000485 0.000060 True native_MD 7 305 329 CB_AB42_35 CA_AB42_39 1 4.032862e-03 2.933692e-05 ; 4.401833e-01 1.385965e-01 1.053302e-01 2.845584e-02 0.000485 0.001021 True native_MD 7 305 331 CB_AB42_35 CB_AB42_39 1 1.914514e-03 7.650806e-06 ; 3.983591e-01 1.197705e-01 7.345441e-02 3.485871e-02 0.000485 0.001021 True native_MD 7 305 332 CB_AB42_35 CG1_AB42_39 1 1.243072e-03 2.812912e-06 ; 3.623347e-01 1.373335e-01 3.770689e-02 2.416489e-02 0.000485 0.002332 True native_MD 7 305 333 CB_AB42_35 CG2_AB42_39 1 1.309135e-03 3.182919e-06 ; 3.666966e-01 1.346118e-01 5.082092e-02 3.533290e-02 0.000485 0.002332 True native_MD 7 305 334 - CB_AB42_35 C_AB42_39 1 0.000000e+00 5.999951e-06 ; 3.270951e-01 -5.999951e-06 6.155041e-02 8.817191e-03 0.000485 0.000060 True native_MD 7 305 335 + CB_AB42_35 C_AB42_39 1 0.000000e+00 5.999850e-06 ; 3.270946e-01 -5.999850e-06 6.155041e-02 8.817191e-03 0.000485 0.000060 True native_MD 7 305 335 CB_AB42_35 O_AB42_39 1 6.647318e-04 7.177435e-07 ; 3.202977e-01 1.539089e-01 6.357635e-02 1.266660e-02 0.000485 0.001191 True native_MD 7 305 336 CB_AB42_35 N_AB42_40 1 1.525369e-03 6.487021e-06 ; 4.025116e-01 8.966943e-02 3.661008e-02 2.501480e-03 0.000485 0.000060 True native_MD 7 305 337 CB_AB42_35 CA_AB42_40 1 3.520554e-03 2.066199e-05 ; 4.247110e-01 1.499650e-01 8.006519e-02 1.539253e-02 0.000485 0.001021 True native_MD 7 305 339 CB_AB42_35 CB_AB42_40 1 3.202970e-03 1.794612e-05 ; 4.214405e-01 1.429141e-01 7.973188e-02 1.892938e-02 0.000485 0.001021 True native_MD 7 305 340 CB_AB42_35 CG1_AB42_40 1 1.830034e-03 5.496290e-06 ; 3.798409e-01 1.523312e-01 3.753359e-02 1.535550e-02 0.000485 0.002332 True native_MD 7 305 341 CB_AB42_35 CG2_AB42_40 1 1.644539e-03 3.876692e-06 ; 3.648123e-01 1.744083e-01 7.146436e-02 1.510096e-02 0.000485 0.002332 True native_MD 7 305 342 - CB_AB42_35 C_AB42_40 1 0.000000e+00 6.270352e-06 ; 3.282988e-01 -6.270352e-06 1.152615e-02 1.483671e-03 0.000485 0.000060 True native_MD 7 305 343 + CB_AB42_35 C_AB42_40 1 0.000000e+00 6.270247e-06 ; 3.282984e-01 -6.270247e-06 1.152615e-02 1.483671e-03 0.000485 0.000060 True native_MD 7 305 343 CB_AB42_35 O_AB42_40 1 7.098953e-04 8.183650e-07 ; 3.238114e-01 1.539507e-01 1.016968e-02 2.023618e-03 0.000485 0.001191 True native_MD 7 305 344 - CB_AB42_35 N_AB42_41 1 0.000000e+00 3.666036e-06 ; 3.139386e-01 -3.666036e-06 3.229541e-03 4.968295e-04 0.000485 0.000060 True native_MD 7 305 345 + CB_AB42_35 N_AB42_41 1 0.000000e+00 3.665988e-06 ; 3.139383e-01 -3.665988e-06 3.229541e-03 4.968295e-04 0.000485 0.000060 True native_MD 7 305 345 CB_AB42_35 CA_AB42_41 1 6.171569e-03 7.025883e-05 ; 4.742976e-01 1.355284e-01 1.046706e-02 3.099690e-03 0.000485 0.001021 True native_MD 7 305 347 CB_AB42_35 CB_AB42_41 1 4.320669e-03 3.533958e-05 ; 4.488677e-01 1.320628e-01 1.608567e-02 5.284130e-03 0.000485 0.001021 True native_MD 7 305 348 CB_AB42_35 CG1_AB42_41 1 1.930564e-03 6.634469e-06 ; 3.884666e-01 1.404437e-01 2.145468e-02 6.393965e-03 0.000485 0.001190 True native_MD 7 305 349 CB_AB42_35 CG2_AB42_41 1 1.430016e-03 3.474791e-06 ; 3.666609e-01 1.471271e-01 1.016486e-02 4.859377e-03 0.000485 0.002332 True native_MD 7 305 350 CB_AB42_35 CD_AB42_41 1 1.417648e-03 3.290027e-06 ; 3.638635e-01 1.527134e-01 2.141306e-02 8.660740e-03 0.000485 0.002332 True native_MD 7 305 351 - CB_AB42_35 C_AB42_41 1 0.000000e+00 6.321411e-06 ; 3.285208e-01 -6.321411e-06 2.686230e-03 7.047984e-04 0.000485 0.000060 True native_MD 7 305 352 + CB_AB42_35 C_AB42_41 1 0.000000e+00 6.321305e-06 ; 3.285203e-01 -6.321305e-06 2.686230e-03 7.047984e-04 0.000485 0.000060 True native_MD 7 305 352 CB_AB42_35 O_AB42_41 1 6.319435e-04 8.234397e-07 ; 3.304905e-01 1.212452e-01 2.248368e-03 1.087247e-03 0.000485 0.001191 True native_MD 7 305 353 - CB_AB42_35 N_AB42_42 1 0.000000e+00 3.669390e-06 ; 3.139625e-01 -3.669390e-06 2.303589e-03 4.832437e-04 0.000485 0.000060 True native_MD 7 305 354 + CB_AB42_35 N_AB42_42 1 0.000000e+00 3.669342e-06 ; 3.139622e-01 -3.669342e-06 2.303589e-03 4.832437e-04 0.000485 0.000060 True native_MD 7 305 354 CB_AB42_35 CA_AB42_42 1 2.401964e-03 1.136378e-05 ; 4.097252e-01 1.269260e-01 9.524038e-03 3.648530e-03 0.000485 0.001021 True native_MD 7 305 356 CB_AB42_35 CB_AB42_42 1 1.584414e-03 3.953022e-06 ; 3.682788e-01 1.587626e-01 1.127267e-02 3.804376e-03 0.000485 0.002332 True native_MD 7 305 357 - CB_AB42_35 C_AB42_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 305 358 - CB_AB42_35 O1_AB42_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 305 359 - CB_AB42_35 O2_AB42_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 305 360 - CG_AB42_35 SD_AB42_35 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 306 307 - CG_AB42_35 C_AB42_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 306 309 - CG_AB42_35 O_AB42_35 1 0.000000e+00 1.934992e-06 ; 2.976585e-01 -1.934992e-06 9.845217e-01 9.445031e-01 0.000485 0.000060 True native_MD 4 306 310 - CG_AB42_35 N_AB42_36 1 0.000000e+00 3.695352e-06 ; 3.141471e-01 -3.695352e-06 9.787993e-01 9.840415e-01 0.000485 0.000060 True native_MD 4 306 311 - CG_AB42_35 CA_AB42_36 1 0.000000e+00 3.385454e-05 ; 3.778300e-01 -3.385454e-05 6.744472e-01 7.385984e-01 0.000485 0.000060 True native_MD 5 306 313 - CG_AB42_35 CB_AB42_36 1 0.000000e+00 3.062254e-05 ; 3.746840e-01 -3.062254e-05 2.658875e-01 2.284471e-01 0.000485 0.000060 True native_MD 6 306 314 + CB_AB42_35 C_AB42_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 305 358 + CB_AB42_35 O1_AB42_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 305 359 + CB_AB42_35 O2_AB42_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 305 360 + CG_AB42_35 SD_AB42_35 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 306 307 + CG_AB42_35 C_AB42_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 306 309 + CG_AB42_35 O_AB42_35 1 0.000000e+00 1.934985e-06 ; 2.976584e-01 -1.934985e-06 9.845217e-01 9.445031e-01 0.000485 0.000060 True native_MD 4 306 310 + CG_AB42_35 N_AB42_36 1 0.000000e+00 3.695304e-06 ; 3.141467e-01 -3.695304e-06 9.787993e-01 9.840415e-01 0.000485 0.000060 True native_MD 4 306 311 + CG_AB42_35 CA_AB42_36 1 0.000000e+00 3.385439e-05 ; 3.778298e-01 -3.385439e-05 6.744472e-01 7.385984e-01 0.000485 0.000060 True native_MD 5 306 313 + CG_AB42_35 CB_AB42_36 1 0.000000e+00 3.062241e-05 ; 3.746838e-01 -3.062241e-05 2.658875e-01 2.284471e-01 0.000485 0.000060 True native_MD 6 306 314 CG_AB42_35 CG1_AB42_36 1 1.986192e-03 7.366281e-06 ; 3.934333e-01 1.338857e-01 9.285412e-02 6.597429e-02 0.000485 0.002332 True native_MD 7 306 315 CG_AB42_35 CG2_AB42_36 1 1.657401e-03 5.140968e-06 ; 3.818882e-01 1.335827e-01 1.338387e-01 9.596074e-02 0.000485 0.002332 True native_MD 7 306 316 - CG_AB42_35 C_AB42_36 1 0.000000e+00 6.671861e-06 ; 3.300013e-01 -6.671861e-06 1.002415e-01 1.535889e-01 0.000485 0.000060 True native_MD 6 306 317 + CG_AB42_35 C_AB42_36 1 0.000000e+00 6.671749e-06 ; 3.300008e-01 -6.671749e-06 1.002415e-01 1.535889e-01 0.000485 0.000060 True native_MD 6 306 317 CG_AB42_35 O_AB42_36 1 4.959146e-04 7.058472e-07 ; 3.353904e-01 8.710501e-02 5.969041e-02 8.780036e-02 0.000485 0.001191 True native_MD 7 306 318 - CG_AB42_35 N_AB42_37 1 0.000000e+00 3.786094e-06 ; 3.147828e-01 -3.786094e-06 4.013658e-02 7.006306e-02 0.000485 0.000060 True native_MD 7 306 319 + CG_AB42_35 N_AB42_37 1 0.000000e+00 3.786044e-06 ; 3.147824e-01 -3.786044e-06 4.013658e-02 7.006306e-02 0.000485 0.000060 True native_MD 7 306 319 CG_AB42_35 CA_AB42_37 1 1.914886e-03 1.056489e-05 ; 4.203590e-01 8.676827e-02 4.780071e-02 7.100413e-02 0.000485 0.001190 True native_MD 7 306 321 - CG_AB42_35 C_AB42_37 1 0.000000e+00 6.260936e-06 ; 3.282577e-01 -6.260936e-06 4.087247e-02 2.934327e-02 0.000485 0.000060 True native_MD 7 306 322 + CG_AB42_35 C_AB42_37 1 0.000000e+00 6.260830e-06 ; 3.282573e-01 -6.260830e-06 4.087247e-02 2.934327e-02 0.000485 0.000060 True native_MD 7 306 322 CG_AB42_35 O_AB42_37 1 3.276961e-04 2.923279e-07 ; 3.102653e-01 9.183583e-02 1.214622e-02 1.550772e-02 0.000485 0.001191 True native_MD 7 306 323 - CG_AB42_35 N_AB42_38 1 0.000000e+00 3.571298e-06 ; 3.132544e-01 -3.571298e-06 6.586771e-02 3.736363e-02 0.000485 0.000060 True native_MD 7 306 324 + CG_AB42_35 N_AB42_38 1 0.000000e+00 3.571251e-06 ; 3.132541e-01 -3.571251e-06 6.586771e-02 3.736363e-02 0.000485 0.000060 True native_MD 7 306 324 CG_AB42_35 CA_AB42_38 1 1.054198e-03 2.382666e-06 ; 3.622626e-01 1.166061e-01 1.067124e-01 6.490396e-02 0.000485 0.001190 True native_MD 7 306 326 - CG_AB42_35 C_AB42_38 1 0.000000e+00 6.046292e-06 ; 3.273048e-01 -6.046292e-06 6.603212e-02 2.061526e-02 0.000485 0.000060 True native_MD 7 306 327 + CG_AB42_35 C_AB42_38 1 0.000000e+00 6.046191e-06 ; 3.273044e-01 -6.046191e-06 6.603212e-02 2.061526e-02 0.000485 0.000060 True native_MD 7 306 327 CG_AB42_35 O_AB42_38 1 5.984831e-04 6.414808e-07 ; 3.199057e-01 1.395918e-01 3.886560e-02 1.188511e-02 0.000485 0.001191 True native_MD 7 306 328 - CG_AB42_35 N_AB42_39 1 0.000000e+00 3.545918e-06 ; 3.130683e-01 -3.545918e-06 4.277479e-02 7.366416e-03 0.000485 0.000060 True native_MD 7 306 329 + CG_AB42_35 N_AB42_39 1 0.000000e+00 3.545871e-06 ; 3.130679e-01 -3.545871e-06 4.277479e-02 7.366416e-03 0.000485 0.000060 True native_MD 7 306 329 CG_AB42_35 CA_AB42_39 1 3.166752e-03 1.751666e-05 ; 4.205389e-01 1.431254e-01 9.059257e-02 2.137225e-02 0.000485 0.001021 True native_MD 7 306 331 CG_AB42_35 CB_AB42_39 1 2.170326e-03 9.272479e-06 ; 4.028207e-01 1.269971e-01 7.328074e-02 2.801312e-02 0.000485 0.001021 True native_MD 7 306 332 CG_AB42_35 CG1_AB42_39 1 1.752868e-03 5.337778e-06 ; 3.807167e-01 1.439057e-01 3.875036e-02 2.039967e-02 0.000485 0.002332 True native_MD 7 306 333 CG_AB42_35 CG2_AB42_39 1 1.426679e-03 3.671006e-06 ; 3.701773e-01 1.386141e-01 4.493982e-02 2.771737e-02 0.000485 0.002332 True native_MD 7 306 334 - CG_AB42_35 C_AB42_39 1 0.000000e+00 6.025655e-06 ; 3.272116e-01 -6.025655e-06 5.682321e-02 8.148200e-03 0.000485 0.000060 True native_MD 7 306 335 + CG_AB42_35 C_AB42_39 1 0.000000e+00 6.025554e-06 ; 3.272111e-01 -6.025554e-06 5.682321e-02 8.148200e-03 0.000485 0.000060 True native_MD 7 306 335 CG_AB42_35 O_AB42_39 1 6.528853e-04 7.038119e-07 ; 3.202113e-01 1.514109e-01 5.682831e-02 1.220096e-02 0.000485 0.001191 True native_MD 7 306 336 CG_AB42_35 N_AB42_40 1 1.132601e-03 3.469542e-06 ; 3.810944e-01 9.243180e-02 3.679591e-02 2.314698e-03 0.000485 0.000060 True native_MD 7 306 337 CG_AB42_35 CA_AB42_40 1 2.789760e-03 1.330886e-05 ; 4.102945e-01 1.461951e-01 7.933006e-02 1.707263e-02 0.000485 0.001021 True native_MD 7 306 339 CG_AB42_35 CB_AB42_40 1 2.416325e-03 1.033665e-05 ; 4.029063e-01 1.412119e-01 8.338155e-02 2.083038e-02 0.000485 0.001021 True native_MD 7 306 340 CG_AB42_35 CG1_AB42_40 1 1.540826e-03 3.863114e-06 ; 3.685791e-01 1.536419e-01 4.162038e-02 1.637249e-02 0.000485 0.002332 True native_MD 7 306 341 CG_AB42_35 CG2_AB42_40 1 1.521392e-03 3.296164e-06 ; 3.597173e-01 1.755550e-01 7.817836e-02 1.596241e-02 0.000485 0.002332 True native_MD 7 306 342 - CG_AB42_35 C_AB42_40 1 0.000000e+00 6.241196e-06 ; 3.281713e-01 -6.241196e-06 1.720712e-02 2.561500e-03 0.000485 0.000060 True native_MD 7 306 343 + CG_AB42_35 C_AB42_40 1 0.000000e+00 6.241091e-06 ; 3.281709e-01 -6.241091e-06 1.720712e-02 2.561500e-03 0.000485 0.000060 True native_MD 7 306 343 CG_AB42_35 O_AB42_40 1 4.387673e-04 3.213597e-07 ; 3.002338e-01 1.497674e-01 1.231709e-02 2.777783e-03 0.000485 0.001191 True native_MD 7 306 344 - CG_AB42_35 N_AB42_41 1 0.000000e+00 3.652719e-06 ; 3.138434e-01 -3.652719e-06 7.620160e-03 1.264751e-03 0.000485 0.000060 True native_MD 7 306 345 + CG_AB42_35 N_AB42_41 1 0.000000e+00 3.652671e-06 ; 3.138431e-01 -3.652671e-06 7.620160e-03 1.264751e-03 0.000485 0.000060 True native_MD 7 306 345 CG_AB42_35 CA_AB42_41 1 4.207487e-03 3.050218e-05 ; 4.399311e-01 1.450957e-01 2.287042e-02 5.086565e-03 0.000485 0.001021 True native_MD 7 306 347 CG_AB42_35 CB_AB42_41 1 2.962022e-03 1.634842e-05 ; 4.203857e-01 1.341654e-01 2.533257e-02 7.814245e-03 0.000485 0.001021 True native_MD 7 306 348 CG_AB42_35 CG1_AB42_41 1 1.481055e-03 3.835254e-06 ; 3.705702e-01 1.429842e-01 2.953382e-02 8.157347e-03 0.000485 0.001190 True native_MD 7 306 349 CG_AB42_35 CG2_AB42_41 1 1.392691e-03 3.248810e-06 ; 3.641762e-01 1.492537e-01 1.450481e-02 6.506586e-03 0.000485 0.002332 True native_MD 7 306 350 CG_AB42_35 CD_AB42_41 1 1.668221e-03 4.322608e-06 ; 3.706085e-01 1.609537e-01 3.159902e-02 9.987419e-03 0.000485 0.002332 True native_MD 7 306 351 - CG_AB42_35 C_AB42_41 1 0.000000e+00 6.299914e-06 ; 3.284275e-01 -6.299914e-06 6.629452e-03 1.254139e-03 0.000485 0.000060 True native_MD 7 306 352 + CG_AB42_35 C_AB42_41 1 0.000000e+00 6.299808e-06 ; 3.284271e-01 -6.299808e-06 6.629452e-03 1.254139e-03 0.000485 0.000060 True native_MD 7 306 352 CG_AB42_35 O_AB42_41 1 6.046291e-04 6.841925e-07 ; 3.228109e-01 1.335795e-01 4.145334e-03 1.517532e-03 0.000485 0.001191 True native_MD 7 306 353 - CG_AB42_35 N_AB42_42 1 0.000000e+00 3.657764e-06 ; 3.138795e-01 -3.657764e-06 5.737472e-03 7.546447e-04 0.000485 0.000060 True native_MD 7 306 354 + CG_AB42_35 N_AB42_42 1 0.000000e+00 3.657716e-06 ; 3.138792e-01 -3.657716e-06 5.737472e-03 7.546447e-04 0.000485 0.000060 True native_MD 7 306 354 CG_AB42_35 CA_AB42_42 1 2.316453e-03 1.020447e-05 ; 4.048814e-01 1.314609e-01 1.601319e-02 5.355935e-03 0.000485 0.001021 True native_MD 7 306 356 CG_AB42_35 CB_AB42_42 1 1.455193e-03 3.273096e-06 ; 3.619704e-01 1.617419e-01 1.711415e-02 5.283132e-03 0.000485 0.002332 True native_MD 7 306 357 - CG_AB42_35 C_AB42_42 1 0.000000e+00 6.342419e-06 ; 3.286116e-01 -6.342419e-06 6.941078e-04 2.029409e-03 0.000485 0.000060 True native_MD 7 306 358 - CG_AB42_35 O1_AB42_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 306 359 - CG_AB42_35 O2_AB42_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 306 360 - SD_AB42_35 CE_AB42_35 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 308 - SD_AB42_35 C_AB42_35 1 0.000000e+00 2.182114e-06 ; 3.006548e-01 -2.182114e-06 6.555508e-01 4.757187e-01 0.000485 0.000060 True native_MD 4 307 309 - SD_AB42_35 O_AB42_35 1 0.000000e+00 8.122571e-07 ; 2.768871e-01 -8.122571e-07 9.586717e-02 5.521852e-02 0.000485 0.000060 True native_MD 5 307 310 - SD_AB42_35 N_AB42_36 1 0.000000e+00 1.535216e-06 ; 2.919728e-01 -1.535216e-06 8.434987e-02 7.857564e-02 0.000485 0.000060 True native_MD 5 307 311 - SD_AB42_35 CA_AB42_36 1 0.000000e+00 1.293036e-05 ; 3.487085e-01 -1.293036e-05 8.268415e-02 5.028799e-02 0.000485 0.000060 True native_MD 6 307 313 - SD_AB42_35 CB_AB42_36 1 0.000000e+00 1.295445e-05 ; 3.487626e-01 -1.295445e-05 5.128063e-02 2.068777e-02 0.000485 0.000060 True native_MD 7 307 314 - SD_AB42_35 CG1_AB42_36 1 0.000000e+00 4.765200e-06 ; 3.208744e-01 -4.765200e-06 2.915018e-02 1.392390e-02 0.000485 0.000060 True native_MD 7 307 315 - SD_AB42_35 CG2_AB42_36 1 0.000000e+00 4.698419e-06 ; 3.204973e-01 -4.698419e-06 4.852922e-02 1.950211e-02 0.000485 0.000060 True native_MD 7 307 316 + CG_AB42_35 C_AB42_42 1 0.000000e+00 6.342312e-06 ; 3.286112e-01 -6.342312e-06 6.941078e-04 2.029409e-03 0.000485 0.000060 True native_MD 7 306 358 + CG_AB42_35 O1_AB42_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 306 359 + CG_AB42_35 O2_AB42_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 306 360 + SD_AB42_35 CE_AB42_35 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 308 + SD_AB42_35 C_AB42_35 1 0.000000e+00 2.182109e-06 ; 3.006547e-01 -2.182109e-06 6.555508e-01 4.757187e-01 0.000485 0.000060 True native_MD 4 307 309 + SD_AB42_35 O_AB42_35 1 0.000000e+00 8.122656e-07 ; 2.768874e-01 -8.122656e-07 9.586717e-02 5.521852e-02 0.000485 0.000060 True native_MD 5 307 310 + SD_AB42_35 N_AB42_36 1 0.000000e+00 1.535218e-06 ; 2.919729e-01 -1.535218e-06 8.434987e-02 7.857564e-02 0.000485 0.000060 True native_MD 5 307 311 + SD_AB42_35 CA_AB42_36 1 0.000000e+00 1.293048e-05 ; 3.487088e-01 -1.293048e-05 8.268415e-02 5.028799e-02 0.000485 0.000060 True native_MD 6 307 313 + SD_AB42_35 CB_AB42_36 1 0.000000e+00 1.295458e-05 ; 3.487629e-01 -1.295458e-05 5.128063e-02 2.068777e-02 0.000485 0.000060 True native_MD 7 307 314 + SD_AB42_35 CG1_AB42_36 1 0.000000e+00 4.765210e-06 ; 3.208745e-01 -4.765210e-06 2.915018e-02 1.392390e-02 0.000485 0.000060 True native_MD 7 307 315 + SD_AB42_35 CG2_AB42_36 1 0.000000e+00 4.698429e-06 ; 3.204973e-01 -4.698429e-06 4.852922e-02 1.950211e-02 0.000485 0.000060 True native_MD 7 307 316 SD_AB42_35 C_AB42_36 1 1.248512e-03 2.775738e-06 ; 3.612692e-01 1.403935e-01 1.953666e-02 1.061183e-02 0.000485 0.002166 True native_MD 7 307 317 SD_AB42_35 O_AB42_36 1 4.728186e-04 4.614440e-07 ; 3.149470e-01 1.211184e-01 1.668872e-02 1.613935e-02 0.000485 0.002166 True native_MD 7 307 318 SD_AB42_35 N_AB42_37 1 4.515479e-04 4.475883e-07 ; 3.157639e-01 1.138856e-01 1.139873e-02 1.368725e-02 0.000485 0.002166 True native_MD 7 307 319 @@ -49855,82 +49855,82 @@ CD2_AB42_34 O2_AB42_42 1 0.000000e+00 1.218512e-06 ; 2.864051e-01 -1.218512 SD_AB42_35 O_AB42_38 1 6.724538e-04 7.029473e-07 ; 3.185738e-01 1.608208e-01 3.115168e-02 9.182185e-03 0.000485 0.002166 True native_MD 7 307 328 SD_AB42_35 N_AB42_39 1 1.112854e-03 1.816782e-06 ; 3.431448e-01 1.704174e-01 2.356542e-02 5.212073e-03 0.000485 0.002166 True native_MD 7 307 329 SD_AB42_35 CA_AB42_39 1 1.672706e-03 4.809850e-06 ; 3.770960e-01 1.454279e-01 5.353013e-02 1.545852e-02 0.000485 0.001339 True native_MD 7 307 331 - SD_AB42_35 CB_AB42_39 1 0.000000e+00 1.298499e-05 ; 3.488310e-01 -1.298499e-05 4.775570e-02 1.944762e-02 0.000485 0.000060 True native_MD 7 307 332 - SD_AB42_35 CG1_AB42_39 1 0.000000e+00 4.754361e-06 ; 3.208135e-01 -4.754361e-06 3.238219e-02 1.491596e-02 0.000485 0.000060 True native_MD 7 307 333 - SD_AB42_35 CG2_AB42_39 1 0.000000e+00 4.774046e-06 ; 3.209240e-01 -4.774046e-06 3.222452e-02 1.882637e-02 0.000485 0.000060 True native_MD 7 307 334 + SD_AB42_35 CB_AB42_39 1 0.000000e+00 1.298512e-05 ; 3.488313e-01 -1.298512e-05 4.775570e-02 1.944762e-02 0.000485 0.000060 True native_MD 7 307 332 + SD_AB42_35 CG1_AB42_39 1 0.000000e+00 4.754371e-06 ; 3.208136e-01 -4.754371e-06 3.238219e-02 1.491596e-02 0.000485 0.000060 True native_MD 7 307 333 + SD_AB42_35 CG2_AB42_39 1 0.000000e+00 4.774056e-06 ; 3.209241e-01 -4.774056e-06 3.222452e-02 1.882637e-02 0.000485 0.000060 True native_MD 7 307 334 SD_AB42_35 C_AB42_39 1 1.146789e-03 1.976969e-06 ; 3.462736e-01 1.663056e-01 2.834364e-02 7.089633e-03 0.000485 0.002166 True native_MD 7 307 335 SD_AB42_35 O_AB42_39 1 5.118325e-04 4.403107e-07 ; 3.083935e-01 1.487430e-01 2.303132e-02 9.744369e-03 0.000485 0.002166 True native_MD 7 307 336 SD_AB42_35 N_AB42_40 1 8.033903e-04 8.986367e-07 ; 3.221882e-01 1.795597e-01 1.927410e-02 3.242568e-03 0.000485 0.002166 True native_MD 7 307 337 SD_AB42_35 CA_AB42_40 1 1.513439e-03 3.952075e-06 ; 3.710878e-01 1.448921e-01 4.696097e-02 1.378067e-02 0.000485 0.001339 True native_MD 7 307 339 - SD_AB42_35 CB_AB42_40 1 0.000000e+00 1.280551e-05 ; 3.484267e-01 -1.280551e-05 5.838362e-02 1.664518e-02 0.000485 0.000060 True native_MD 7 307 340 - SD_AB42_35 CG1_AB42_40 1 0.000000e+00 4.752273e-06 ; 3.208018e-01 -4.752273e-06 3.114809e-02 1.325027e-02 0.000485 0.000060 True native_MD 7 307 341 - SD_AB42_35 CG2_AB42_40 1 0.000000e+00 4.589141e-06 ; 3.198693e-01 -4.589141e-06 6.277582e-02 1.116524e-02 0.000485 0.000060 True native_MD 7 307 342 + SD_AB42_35 CB_AB42_40 1 0.000000e+00 1.280564e-05 ; 3.484270e-01 -1.280564e-05 5.838362e-02 1.664518e-02 0.000485 0.000060 True native_MD 7 307 340 + SD_AB42_35 CG1_AB42_40 1 0.000000e+00 4.752282e-06 ; 3.208018e-01 -4.752282e-06 3.114809e-02 1.325027e-02 0.000485 0.000060 True native_MD 7 307 341 + SD_AB42_35 CG2_AB42_40 1 0.000000e+00 4.589150e-06 ; 3.198694e-01 -4.589150e-06 6.277582e-02 1.116524e-02 0.000485 0.000060 True native_MD 7 307 342 SD_AB42_35 C_AB42_40 1 1.674845e-03 4.061283e-06 ; 3.665344e-01 1.726735e-01 1.344684e-02 2.779884e-03 0.000485 0.002166 True native_MD 7 307 343 SD_AB42_35 O_AB42_40 1 5.062314e-04 4.064639e-07 ; 3.048682e-01 1.576218e-01 7.460635e-03 2.420007e-03 0.000485 0.002166 True native_MD 7 307 344 SD_AB42_35 N_AB42_41 1 6.802701e-04 6.818738e-07 ; 3.163519e-01 1.696675e-01 9.576251e-03 2.040553e-03 0.000485 0.002166 True native_MD 7 307 345 SD_AB42_35 CA_AB42_41 1 1.533442e-03 4.115336e-06 ; 3.727832e-01 1.428464e-01 1.699588e-02 5.302302e-03 0.000485 0.001339 True native_MD 7 307 347 - SD_AB42_35 CB_AB42_41 1 0.000000e+00 1.314423e-05 ; 3.491856e-01 -1.314423e-05 2.399611e-02 7.604928e-03 0.000485 0.000060 True native_MD 7 307 348 - SD_AB42_35 CG1_AB42_41 1 0.000000e+00 6.356593e-06 ; 3.286728e-01 -6.356593e-06 2.721664e-02 7.403041e-03 0.000485 0.000060 True native_MD 7 307 349 - SD_AB42_35 CG2_AB42_41 1 0.000000e+00 4.805922e-06 ; 3.211020e-01 -4.805922e-06 1.257248e-02 5.761738e-03 0.000485 0.000060 True native_MD 7 307 350 - SD_AB42_35 CD_AB42_41 1 0.000000e+00 4.741884e-06 ; 3.207433e-01 -4.741884e-06 2.883661e-02 8.791912e-03 0.000485 0.000060 True native_MD 7 307 351 + SD_AB42_35 CB_AB42_41 1 0.000000e+00 1.314437e-05 ; 3.491859e-01 -1.314437e-05 2.399611e-02 7.604928e-03 0.000485 0.000060 True native_MD 7 307 348 + SD_AB42_35 CG1_AB42_41 1 0.000000e+00 6.356582e-06 ; 3.286727e-01 -6.356582e-06 2.721664e-02 7.403041e-03 0.000485 0.000060 True native_MD 7 307 349 + SD_AB42_35 CG2_AB42_41 1 0.000000e+00 4.805932e-06 ; 3.211021e-01 -4.805932e-06 1.257248e-02 5.761738e-03 0.000485 0.000060 True native_MD 7 307 350 + SD_AB42_35 CD_AB42_41 1 0.000000e+00 4.741894e-06 ; 3.207433e-01 -4.741894e-06 2.883661e-02 8.791912e-03 0.000485 0.000060 True native_MD 7 307 351 SD_AB42_35 C_AB42_41 1 1.697762e-03 4.438703e-06 ; 3.711618e-01 1.623444e-01 7.691647e-03 1.764851e-03 0.000485 0.002166 True native_MD 7 307 352 SD_AB42_35 O_AB42_41 1 5.373028e-04 5.023794e-07 ; 3.127055e-01 1.436635e-01 4.397744e-03 1.817563e-03 0.000485 0.002166 True native_MD 7 307 353 SD_AB42_35 N_AB42_42 1 6.798618e-04 7.457212e-07 ; 3.211387e-01 1.549547e-01 6.165640e-03 8.707763e-04 0.000485 0.002166 True native_MD 7 307 354 SD_AB42_35 CA_AB42_42 1 1.669364e-03 4.972671e-06 ; 3.793206e-01 1.401046e-01 1.676672e-02 5.678102e-03 0.000485 0.001339 True native_MD 7 307 356 - SD_AB42_35 CB_AB42_42 1 0.000000e+00 4.779326e-06 ; 3.209536e-01 -4.779326e-06 1.801051e-02 5.703609e-03 0.000485 0.000060 True native_MD 7 307 357 + SD_AB42_35 CB_AB42_42 1 0.000000e+00 4.779336e-06 ; 3.209536e-01 -4.779336e-06 1.801051e-02 5.703609e-03 0.000485 0.000060 True native_MD 7 307 357 SD_AB42_35 C_AB42_42 1 2.010357e-03 1.072691e-05 ; 4.180230e-01 9.419153e-02 1.101473e-03 2.384431e-03 0.000485 0.002166 True native_MD 7 307 358 - CE_AB42_35 C_AB42_35 1 0.000000e+00 4.750769e-06 ; 3.207933e-01 -4.750769e-06 2.162346e-01 2.214509e-01 0.000485 0.000060 True native_MD 5 308 309 - CE_AB42_35 O_AB42_35 1 0.000000e+00 1.490085e-06 ; 2.912477e-01 -1.490085e-06 5.319219e-02 4.394545e-02 0.000485 0.000060 True native_MD 6 308 310 - CE_AB42_35 N_AB42_36 1 0.000000e+00 2.729785e-06 ; 3.063179e-01 -2.729785e-06 5.531932e-02 5.052852e-02 0.000485 0.000060 True native_MD 6 308 311 + CE_AB42_35 C_AB42_35 1 0.000000e+00 4.750706e-06 ; 3.207930e-01 -4.750706e-06 2.162346e-01 2.214509e-01 0.000485 0.000060 True native_MD 5 308 309 + CE_AB42_35 O_AB42_35 1 0.000000e+00 1.490085e-06 ; 2.912478e-01 -1.490085e-06 5.319219e-02 4.394545e-02 0.000485 0.000060 True native_MD 6 308 310 + CE_AB42_35 N_AB42_36 1 0.000000e+00 2.729760e-06 ; 3.063177e-01 -2.729760e-06 5.531932e-02 5.052852e-02 0.000485 0.000060 True native_MD 6 308 311 CE_AB42_35 CA_AB42_36 1 4.801465e-03 4.570260e-05 ; 4.603568e-01 1.261091e-01 8.242271e-02 6.124577e-02 0.000485 0.001932 True native_MD 7 308 313 CE_AB42_35 CB_AB42_36 1 4.710728e-03 3.972148e-05 ; 4.511520e-01 1.396660e-01 6.437814e-02 3.188405e-02 0.000485 0.001932 True native_MD 7 308 314 CE_AB42_35 CG1_AB42_36 1 1.459562e-03 3.173267e-06 ; 3.599266e-01 1.678335e-01 3.816711e-02 2.237699e-02 0.000485 0.005315 True native_MD 7 308 315 CE_AB42_35 CG2_AB42_36 1 1.289567e-03 2.442837e-06 ; 3.517562e-01 1.701897e-01 5.681430e-02 3.104187e-02 0.000485 0.005315 True native_MD 7 308 316 - CE_AB42_35 C_AB42_36 1 0.000000e+00 4.713588e-06 ; 3.205834e-01 -4.713588e-06 2.209846e-02 1.944777e-02 0.000485 0.000060 True native_MD 7 308 317 + CE_AB42_35 C_AB42_36 1 0.000000e+00 4.713527e-06 ; 3.205830e-01 -4.713527e-06 2.209846e-02 1.944777e-02 0.000485 0.000060 True native_MD 7 308 317 CE_AB42_35 O_AB42_36 1 3.684866e-04 3.465846e-07 ; 3.130146e-01 9.794319e-02 2.513866e-02 2.673460e-02 0.000485 0.001191 True native_MD 7 308 318 - CE_AB42_35 N_AB42_37 1 0.000000e+00 2.768831e-06 ; 3.066806e-01 -2.768831e-06 1.347660e-02 2.292084e-02 0.000485 0.000060 True native_MD 7 308 319 + CE_AB42_35 N_AB42_37 1 0.000000e+00 2.768805e-06 ; 3.066804e-01 -2.768805e-06 1.347660e-02 2.292084e-02 0.000485 0.000060 True native_MD 7 308 319 CE_AB42_35 CA_AB42_37 1 1.150782e-03 3.045543e-06 ; 3.719164e-01 1.087080e-01 2.819414e-02 4.255586e-02 0.000485 0.002332 True native_MD 7 308 321 - CE_AB42_35 C_AB42_37 1 0.000000e+00 4.712446e-06 ; 3.205769e-01 -4.712446e-06 2.419370e-02 2.130138e-02 0.000485 0.000060 True native_MD 7 308 322 + CE_AB42_35 C_AB42_37 1 0.000000e+00 4.712385e-06 ; 3.205765e-01 -4.712385e-06 2.419370e-02 2.130138e-02 0.000485 0.000060 True native_MD 7 308 322 CE_AB42_35 O_AB42_37 1 3.671055e-04 3.266385e-07 ; 3.101316e-01 1.031465e-01 1.504726e-02 1.369505e-02 0.000485 0.001191 True native_MD 7 308 323 - CE_AB42_35 N_AB42_38 1 0.000000e+00 2.717047e-06 ; 3.061985e-01 -2.717047e-06 2.921501e-02 1.978007e-02 0.000485 0.000060 True native_MD 7 308 324 + CE_AB42_35 N_AB42_38 1 0.000000e+00 2.717021e-06 ; 3.061983e-01 -2.717021e-06 2.921501e-02 1.978007e-02 0.000485 0.000060 True native_MD 7 308 324 CE_AB42_35 CA_AB42_38 1 1.186902e-03 2.611513e-06 ; 3.606447e-01 1.348582e-01 6.611619e-02 4.562915e-02 0.000485 0.002332 True native_MD 7 308 326 - CE_AB42_35 C_AB42_38 1 0.000000e+00 4.625402e-06 ; 3.200792e-01 -4.625402e-06 3.992580e-02 1.861576e-02 0.000485 0.000060 True native_MD 7 308 327 + CE_AB42_35 C_AB42_38 1 0.000000e+00 4.625342e-06 ; 3.200789e-01 -4.625342e-06 3.992580e-02 1.861576e-02 0.000485 0.000060 True native_MD 7 308 327 CE_AB42_35 O_AB42_38 1 3.310643e-04 2.163537e-07 ; 2.945837e-01 1.266486e-01 2.938048e-02 1.323477e-02 0.000485 0.001191 True native_MD 7 308 328 - CE_AB42_35 N_AB42_39 1 0.000000e+00 2.709108e-06 ; 3.061239e-01 -2.709108e-06 2.014690e-02 7.817564e-03 0.000485 0.000060 True native_MD 7 308 329 + CE_AB42_35 N_AB42_39 1 0.000000e+00 2.709082e-06 ; 3.061236e-01 -2.709082e-06 2.014690e-02 7.817564e-03 0.000485 0.000060 True native_MD 7 308 329 CE_AB42_35 CA_AB42_39 1 2.660387e-03 1.241024e-05 ; 4.087639e-01 1.425770e-01 4.937786e-02 2.241477e-02 0.000485 0.001932 True native_MD 7 308 331 CE_AB42_35 CB_AB42_39 1 1.918105e-03 7.017751e-06 ; 3.925433e-01 1.310650e-01 4.291906e-02 2.749603e-02 0.000485 0.001932 True native_MD 7 308 332 CE_AB42_35 CG1_AB42_39 1 1.163004e-03 2.076723e-06 ; 3.483102e-01 1.628261e-01 3.060629e-02 2.084504e-02 0.000485 0.005315 True native_MD 7 308 333 CE_AB42_35 CG2_AB42_39 1 1.175666e-03 2.207382e-06 ; 3.512359e-01 1.565418e-01 3.016923e-02 2.479886e-02 0.000485 0.005315 True native_MD 7 308 334 - CE_AB42_35 C_AB42_39 1 0.000000e+00 4.656249e-06 ; 3.202565e-01 -4.656249e-06 2.367398e-02 8.890884e-03 0.000485 0.000060 True native_MD 7 308 335 + CE_AB42_35 C_AB42_39 1 0.000000e+00 4.656188e-06 ; 3.202562e-01 -4.656188e-06 2.367398e-02 8.890884e-03 0.000485 0.000060 True native_MD 7 308 335 CE_AB42_35 O_AB42_39 1 4.037956e-04 3.679656e-07 ; 3.113682e-01 1.107786e-01 1.471328e-02 1.065671e-02 0.000485 0.001191 True native_MD 7 308 336 - CE_AB42_35 N_AB42_40 1 0.000000e+00 2.702855e-06 ; 3.060649e-01 -2.702855e-06 1.842646e-02 3.817589e-03 0.000485 0.000060 True native_MD 7 308 337 + CE_AB42_35 N_AB42_40 1 0.000000e+00 2.702830e-06 ; 3.060647e-01 -2.702830e-06 1.842646e-02 3.817589e-03 0.000485 0.000060 True native_MD 7 308 337 CE_AB42_35 CA_AB42_40 1 2.903947e-03 1.373348e-05 ; 4.096994e-01 1.535101e-01 5.555341e-02 1.818104e-02 0.000485 0.001932 True native_MD 7 308 339 CE_AB42_35 CB_AB42_40 1 2.248516e-03 8.172109e-06 ; 3.921086e-01 1.546671e-01 6.936041e-02 2.192715e-02 0.000485 0.001932 True native_MD 7 308 340 CE_AB42_35 CG1_AB42_40 1 1.316154e-03 2.453683e-06 ; 3.508208e-01 1.764960e-01 3.728206e-02 1.686663e-02 0.000485 0.005315 True native_MD 7 308 341 CE_AB42_35 CG2_AB42_40 1 1.355093e-03 2.326385e-06 ; 3.460340e-01 1.973317e-01 6.414498e-02 1.555598e-02 0.000485 0.005315 True native_MD 7 308 342 - CE_AB42_35 C_AB42_40 1 0.000000e+00 4.680365e-06 ; 3.203944e-01 -4.680365e-06 1.431566e-02 4.635163e-03 0.000485 0.000060 True native_MD 7 308 343 + CE_AB42_35 C_AB42_40 1 0.000000e+00 4.680303e-06 ; 3.203941e-01 -4.680303e-06 1.431566e-02 4.635163e-03 0.000485 0.000060 True native_MD 7 308 343 CE_AB42_35 O_AB42_40 1 5.559112e-04 5.774438e-07 ; 3.182370e-01 1.337954e-01 9.750912e-03 3.546649e-03 0.000485 0.001191 True native_MD 7 308 344 - CE_AB42_35 N_AB42_41 1 0.000000e+00 2.722395e-06 ; 3.062487e-01 -2.722395e-06 1.051669e-02 3.031534e-03 0.000485 0.000060 True native_MD 7 308 345 + CE_AB42_35 N_AB42_41 1 0.000000e+00 2.722369e-06 ; 3.062485e-01 -2.722369e-06 1.051669e-02 3.031534e-03 0.000485 0.000060 True native_MD 7 308 345 CE_AB42_35 CA_AB42_41 1 2.678433e-03 1.185338e-05 ; 4.051914e-01 1.513071e-01 2.363069e-02 8.260683e-03 0.000485 0.001932 True native_MD 7 308 347 CE_AB42_35 CB_AB42_41 1 2.153383e-03 7.834889e-06 ; 3.921799e-01 1.479618e-01 3.005455e-02 1.161256e-02 0.000485 0.001932 True native_MD 7 308 348 CE_AB42_35 CG1_AB42_41 1 1.739483e-03 4.799604e-06 ; 3.745107e-01 1.576069e-01 3.239326e-02 1.131702e-02 0.000485 0.002332 True native_MD 7 308 349 CE_AB42_35 CG2_AB42_41 1 1.233474e-03 2.230934e-06 ; 3.490541e-01 1.704957e-01 1.632332e-02 8.837324e-03 0.000485 0.005315 True native_MD 7 308 350 CE_AB42_35 CD_AB42_41 1 1.234989e-03 2.090757e-06 ; 3.452286e-01 1.823738e-01 3.262404e-02 1.237871e-02 0.000485 0.005315 True native_MD 7 308 351 - CE_AB42_35 C_AB42_41 1 0.000000e+00 4.683729e-06 ; 3.204136e-01 -4.683729e-06 1.195657e-02 2.987874e-03 0.000485 0.000060 True native_MD 7 308 352 + CE_AB42_35 C_AB42_41 1 0.000000e+00 4.683667e-06 ; 3.204133e-01 -4.683667e-06 1.195657e-02 2.987874e-03 0.000485 0.000060 True native_MD 7 308 352 CE_AB42_35 O_AB42_41 1 5.129180e-04 4.769377e-07 ; 3.124177e-01 1.379032e-01 9.243611e-03 2.973217e-03 0.000485 0.001191 True native_MD 7 308 353 - CE_AB42_35 N_AB42_42 1 0.000000e+00 2.723251e-06 ; 3.062567e-01 -2.723251e-06 9.025538e-03 1.852446e-03 0.000485 0.000060 True native_MD 7 308 354 + CE_AB42_35 N_AB42_42 1 0.000000e+00 2.723225e-06 ; 3.062565e-01 -2.723225e-06 9.025538e-03 1.852446e-03 0.000485 0.000060 True native_MD 7 308 354 CE_AB42_35 CA_AB42_42 1 2.151505e-03 7.895409e-06 ; 3.927402e-01 1.465717e-01 2.121580e-02 8.545627e-03 0.000485 0.001932 True native_MD 7 308 356 CE_AB42_35 CB_AB42_42 1 1.295363e-03 2.302935e-06 ; 3.480554e-01 1.821549e-01 2.030589e-02 7.755392e-03 0.000485 0.005315 True native_MD 7 308 357 - CE_AB42_35 C_AB42_42 1 0.000000e+00 4.730500e-06 ; 3.206791e-01 -4.730500e-06 2.684963e-03 3.612672e-03 0.000485 0.000060 True native_MD 7 308 358 + CE_AB42_35 C_AB42_42 1 0.000000e+00 4.730438e-06 ; 3.206787e-01 -4.730438e-06 2.684963e-03 3.612672e-03 0.000485 0.000060 True native_MD 7 308 358 CE_AB42_35 O1_AB42_42 1 0.000000e+00 1.219209e-06 ; 2.864188e-01 -1.219209e-06 7.566433e-04 2.188648e-03 0.000485 0.000060 True native_MD 7 308 359 CE_AB42_35 O2_AB42_42 1 0.000000e+00 1.219209e-06 ; 2.864188e-01 -1.219209e-06 7.566433e-04 2.188648e-03 0.000485 0.000060 True native_MD 7 308 360 - C_AB42_35 CB_AB42_36 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 314 - C_AB42_35 CG1_AB42_36 1 0.000000e+00 4.680978e-06 ; 3.203979e-01 -4.680978e-06 9.969815e-01 9.874307e-01 0.000485 0.000060 True native_MD 4 309 315 - C_AB42_35 CG2_AB42_36 1 0.000000e+00 4.714990e-06 ; 3.205913e-01 -4.714990e-06 9.998348e-01 9.974808e-01 0.000485 0.000060 True native_MD 4 309 316 - C_AB42_35 O_AB42_36 1 0.000000e+00 7.976245e-07 ; 2.764680e-01 -7.976245e-07 9.479406e-01 9.124867e-01 0.000485 0.000060 True native_MD 4 309 318 - C_AB42_35 N_AB42_37 1 0.000000e+00 1.477863e-06 ; 2.910479e-01 -1.477863e-06 9.868208e-01 9.667393e-01 0.000485 0.000060 True native_MD 4 309 319 - C_AB42_35 CA_AB42_37 1 0.000000e+00 5.448736e-06 ; 3.244788e-01 -5.448736e-06 7.601424e-01 6.203839e-01 0.000485 0.000060 True native_MD 5 309 321 - C_AB42_35 C_AB42_37 1 0.000000e+00 2.069713e-06 ; 2.993327e-01 -2.069713e-06 2.866912e-01 8.317258e-02 0.000485 0.000060 True native_MD 6 309 322 + C_AB42_35 CB_AB42_36 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 314 + C_AB42_35 CG1_AB42_36 1 0.000000e+00 4.680916e-06 ; 3.203976e-01 -4.680916e-06 9.969815e-01 9.874307e-01 0.000485 0.000060 True native_MD 4 309 315 + C_AB42_35 CG2_AB42_36 1 0.000000e+00 4.714929e-06 ; 3.205910e-01 -4.714929e-06 9.998348e-01 9.974808e-01 0.000485 0.000060 True native_MD 4 309 316 + C_AB42_35 O_AB42_36 1 0.000000e+00 7.976208e-07 ; 2.764679e-01 -7.976208e-07 9.479406e-01 9.124867e-01 0.000485 0.000060 True native_MD 4 309 318 + C_AB42_35 N_AB42_37 1 0.000000e+00 1.477842e-06 ; 2.910476e-01 -1.477842e-06 9.868208e-01 9.667393e-01 0.000485 0.000060 True native_MD 4 309 319 + C_AB42_35 CA_AB42_37 1 0.000000e+00 5.448645e-06 ; 3.244783e-01 -5.448645e-06 7.601424e-01 6.203839e-01 0.000485 0.000060 True native_MD 5 309 321 + C_AB42_35 C_AB42_37 1 0.000000e+00 2.069676e-06 ; 2.993323e-01 -2.069676e-06 2.866912e-01 8.317258e-02 0.000485 0.000060 True native_MD 6 309 322 C_AB42_35 O_AB42_37 1 1.165648e-03 1.887754e-06 ; 3.426860e-01 1.799407e-01 1.657082e-01 2.756140e-02 0.000485 0.002166 True native_MD 7 309 323 C_AB42_35 N_AB42_38 1 7.308201e-04 1.019903e-06 ; 3.342910e-01 1.309188e-01 2.429561e-01 1.752270e-01 0.000485 0.002166 True native_MD 7 309 324 C_AB42_35 CA_AB42_38 1 1.839895e-03 6.695480e-06 ; 3.921914e-01 1.263992e-01 2.316755e-01 1.398776e-01 0.000485 0.001584 True native_MD 7 309 326 @@ -49938,37 +49938,37 @@ CD2_AB42_34 O2_AB42_42 1 0.000000e+00 1.218512e-06 ; 2.864051e-01 -1.218512 C_AB42_35 O_AB42_38 1 4.223475e-04 3.580658e-07 ; 3.076443e-01 1.245424e-01 1.200625e-02 1.047993e-02 0.000485 0.002166 True native_MD 7 309 328 C_AB42_35 N_AB42_39 1 1.627017e-03 3.692606e-06 ; 3.625129e-01 1.792219e-01 7.270826e-02 1.235600e-02 0.000485 0.002166 True native_MD 7 309 329 C_AB42_35 CA_AB42_39 1 3.580996e-03 2.054091e-05 ; 4.230931e-01 1.560730e-01 9.151952e-02 1.921861e-02 0.000485 0.001339 True native_MD 7 309 331 - C_AB42_35 CB_AB42_39 1 0.000000e+00 1.278456e-05 ; 3.483792e-01 -1.278456e-05 6.188896e-02 4.140909e-02 0.000485 0.000060 True native_MD 7 309 332 - C_AB42_35 CG1_AB42_39 1 0.000000e+00 4.787617e-06 ; 3.209999e-01 -4.787617e-06 1.913186e-02 3.214494e-02 0.000485 0.000060 True native_MD 7 309 333 - C_AB42_35 CG2_AB42_39 1 0.000000e+00 4.729409e-06 ; 3.206729e-01 -4.729409e-06 4.858148e-02 4.927838e-02 0.000485 0.000060 True native_MD 7 309 334 + C_AB42_35 CB_AB42_39 1 0.000000e+00 1.278450e-05 ; 3.483790e-01 -1.278450e-05 6.188896e-02 4.140909e-02 0.000485 0.000060 True native_MD 7 309 332 + C_AB42_35 CG1_AB42_39 1 0.000000e+00 4.787554e-06 ; 3.209996e-01 -4.787554e-06 1.913186e-02 3.214494e-02 0.000485 0.000060 True native_MD 7 309 333 + C_AB42_35 CG2_AB42_39 1 0.000000e+00 4.729348e-06 ; 3.206725e-01 -4.729348e-06 4.858148e-02 4.927838e-02 0.000485 0.000060 True native_MD 7 309 334 C_AB42_35 C_AB42_39 1 3.404975e-03 1.293108e-05 ; 3.949906e-01 2.241471e-01 4.889317e-02 1.163943e-03 0.000485 0.002166 True native_MD 7 309 335 C_AB42_35 O_AB42_39 1 7.059966e-04 6.325270e-07 ; 3.104889e-01 1.970000e-01 5.095826e-02 5.086957e-03 0.000485 0.002166 True native_MD 7 309 336 C_AB42_35 N_AB42_40 1 1.554869e-03 3.180027e-06 ; 3.562784e-01 1.900626e-01 1.763045e-02 2.650046e-04 0.000485 0.002166 True native_MD 7 309 337 C_AB42_35 CA_AB42_40 1 5.434422e-03 3.592474e-05 ; 4.332182e-01 2.055196e-01 5.072632e-02 2.425503e-03 0.000485 0.001339 True native_MD 7 309 339 - C_AB42_35 CB_AB42_40 1 0.000000e+00 1.278059e-05 ; 3.483701e-01 -1.278059e-05 2.876363e-02 7.979394e-03 0.000485 0.000060 True native_MD 7 309 340 - C_AB42_35 CG1_AB42_40 1 0.000000e+00 4.709796e-06 ; 3.205619e-01 -4.709796e-06 1.112776e-02 7.674692e-03 0.000485 0.000060 True native_MD 7 309 341 - C_AB42_35 CG2_AB42_40 1 0.000000e+00 4.640656e-06 ; 3.201670e-01 -4.640656e-06 2.748973e-02 9.407243e-03 0.000485 0.000060 True native_MD 7 309 342 + C_AB42_35 CB_AB42_40 1 0.000000e+00 1.278053e-05 ; 3.483700e-01 -1.278053e-05 2.876363e-02 7.979394e-03 0.000485 0.000060 True native_MD 7 309 340 + C_AB42_35 CG1_AB42_40 1 0.000000e+00 4.709735e-06 ; 3.205615e-01 -4.709735e-06 1.112776e-02 7.674692e-03 0.000485 0.000060 True native_MD 7 309 341 + C_AB42_35 CG2_AB42_40 1 0.000000e+00 4.640595e-06 ; 3.201667e-01 -4.640595e-06 2.748973e-02 9.407243e-03 0.000485 0.000060 True native_MD 7 309 342 C_AB42_35 C_AB42_40 1 3.791891e-03 2.258815e-05 ; 4.257658e-01 1.591369e-01 6.987675e-03 7.944244e-05 0.000485 0.002166 True native_MD 7 309 343 C_AB42_35 O_AB42_40 1 1.825589e-03 4.501974e-06 ; 3.675643e-01 1.850729e-01 1.518498e-02 5.105287e-04 0.000485 0.002166 True native_MD 7 309 344 C_AB42_35 N_AB42_41 1 8.552048e-04 1.676031e-06 ; 3.537545e-01 1.090934e-01 1.562908e-03 0.000000e+00 0.000485 0.002166 True native_MD 7 309 345 C_AB42_35 CA_AB42_41 1 3.418942e-03 2.334035e-05 ; 4.355479e-01 1.252034e-01 2.531105e-03 9.027176e-04 0.000485 0.001339 True native_MD 7 309 347 - C_AB42_35 CB_AB42_41 1 0.000000e+00 1.300705e-05 ; 3.488804e-01 -1.300705e-05 5.162635e-03 1.728985e-03 0.000485 0.000060 True native_MD 7 309 348 - C_AB42_35 CG1_AB42_41 1 0.000000e+00 6.270971e-06 ; 3.283015e-01 -6.270971e-06 1.201845e-02 2.073677e-03 0.000485 0.000060 True native_MD 7 309 349 - C_AB42_35 CG2_AB42_41 1 0.000000e+00 4.719400e-06 ; 3.206163e-01 -4.719400e-06 3.857248e-03 2.436205e-03 0.000485 0.000060 True native_MD 7 309 350 - C_AB42_35 CD_AB42_41 1 0.000000e+00 4.708511e-06 ; 3.205546e-01 -4.708511e-06 8.224569e-03 4.499649e-03 0.000485 0.000060 True native_MD 7 309 351 + C_AB42_35 CB_AB42_41 1 0.000000e+00 1.300698e-05 ; 3.488802e-01 -1.300698e-05 5.162635e-03 1.728985e-03 0.000485 0.000060 True native_MD 7 309 348 + C_AB42_35 CG1_AB42_41 1 0.000000e+00 6.270866e-06 ; 3.283011e-01 -6.270866e-06 1.201845e-02 2.073677e-03 0.000485 0.000060 True native_MD 7 309 349 + C_AB42_35 CG2_AB42_41 1 0.000000e+00 4.719338e-06 ; 3.206159e-01 -4.719338e-06 3.857248e-03 2.436205e-03 0.000485 0.000060 True native_MD 7 309 350 + C_AB42_35 CD_AB42_41 1 0.000000e+00 4.708450e-06 ; 3.205542e-01 -4.708450e-06 8.224569e-03 4.499649e-03 0.000485 0.000060 True native_MD 7 309 351 C_AB42_35 O_AB42_41 1 7.102062e-04 1.570891e-06 ; 3.609610e-01 8.027179e-02 6.597041e-04 2.883046e-04 0.000485 0.002166 True native_MD 7 309 353 C_AB42_35 CA_AB42_42 1 2.540711e-03 1.371915e-05 ; 4.188534e-01 1.176314e-01 2.017899e-03 1.287288e-03 0.000485 0.001339 True native_MD 7 309 356 - C_AB42_35 CB_AB42_42 1 0.000000e+00 4.718038e-06 ; 3.206086e-01 -4.718038e-06 3.332307e-03 1.623141e-03 0.000485 0.000060 True native_MD 7 309 357 + C_AB42_35 CB_AB42_42 1 0.000000e+00 4.717976e-06 ; 3.206082e-01 -4.717976e-06 3.332307e-03 1.623141e-03 0.000485 0.000060 True native_MD 7 309 357 O_AB42_35 O_AB42_35 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 310 O_AB42_35 H_AB42_36 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 312 - O_AB42_35 CB_AB42_36 1 0.000000e+00 4.153495e-06 ; 3.172216e-01 -4.153495e-06 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 310 314 + O_AB42_35 CB_AB42_36 1 0.000000e+00 4.153528e-06 ; 3.172218e-01 -4.153528e-06 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 310 314 O_AB42_35 CG1_AB42_36 1 0.000000e+00 1.601033e-06 ; 2.929960e-01 -1.601033e-06 3.388577e-01 4.033804e-01 0.000485 0.000060 True native_MD 5 310 315 O_AB42_35 CG2_AB42_36 1 0.000000e+00 1.308728e-06 ; 2.881149e-01 -1.308728e-06 5.345866e-01 4.047563e-01 0.000485 0.000060 True native_MD 5 310 316 - O_AB42_35 C_AB42_36 1 0.000000e+00 8.238734e-07 ; 2.772150e-01 -8.238734e-07 9.999561e-01 9.962443e-01 0.000485 0.000060 True native_MD 4 310 317 + O_AB42_35 C_AB42_36 1 0.000000e+00 8.238696e-07 ; 2.772149e-01 -8.238696e-07 9.999561e-01 9.962443e-01 0.000485 0.000060 True native_MD 4 310 317 O_AB42_35 O_AB42_36 1 0.000000e+00 1.374523e-06 ; 2.892951e-01 -1.374523e-06 9.189628e-01 8.353117e-01 0.000485 0.000060 True native_MD 5 310 318 O_AB42_35 N_AB42_37 1 0.000000e+00 1.422714e-06 ; 2.901270e-01 -1.422714e-06 9.467240e-01 8.952003e-01 0.000485 0.000060 True native_MD 5 310 319 - O_AB42_35 H_AB42_37 1 0.000000e+00 1.482211e-08 ; 1.983372e-01 -1.482211e-08 1.739104e-01 1.291769e-01 0.000485 0.000060 True native_MD 6 310 320 - O_AB42_35 CA_AB42_37 1 0.000000e+00 1.764889e-06 ; 2.953848e-01 -1.764889e-06 4.407151e-01 3.163052e-01 0.000485 0.000060 True native_MD 6 310 321 + O_AB42_35 H_AB42_37 1 0.000000e+00 1.482234e-08 ; 1.983375e-01 -1.482234e-08 1.739104e-01 1.291769e-01 0.000485 0.000060 True native_MD 6 310 320 + O_AB42_35 CA_AB42_37 1 0.000000e+00 1.764882e-06 ; 2.953847e-01 -1.764882e-06 4.407151e-01 3.163052e-01 0.000485 0.000060 True native_MD 6 310 321 O_AB42_35 C_AB42_37 1 1.411576e-03 3.146218e-06 ; 3.614216e-01 1.583288e-01 2.261987e-01 7.183404e-02 0.000485 0.002166 True native_MD 7 310 322 O_AB42_35 O_AB42_37 1 0.000000e+00 1.221905e-06 ; 2.864715e-01 -1.221905e-06 2.412138e-01 5.581730e-02 0.000485 0.000060 True native_MD 7 310 323 O_AB42_35 N_AB42_38 1 1.607400e-04 5.272544e-08 ; 2.626129e-01 1.225089e-01 2.478950e-01 2.299603e-01 0.000485 0.002166 True native_MD 7 310 324 @@ -50007,41 +50007,41 @@ CD2_AB42_34 O2_AB42_42 1 0.000000e+00 1.218512e-06 ; 2.864051e-01 -1.218512 O_AB42_35 CB_AB42_42 1 3.840793e-04 3.294540e-07 ; 3.082447e-01 1.119404e-01 3.155739e-03 2.207573e-03 0.000485 0.001191 True native_MD 7 310 357 O_AB42_35 O1_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 359 O_AB42_35 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 360 - N_AB42_36 CB_AB42_36 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 314 - N_AB42_36 CG1_AB42_36 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 315 - N_AB42_36 CG2_AB42_36 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 316 - N_AB42_36 CA_AB42_37 1 0.000000e+00 3.573372e-06 ; 3.132696e-01 -3.573372e-06 9.923410e-01 9.644011e-01 0.000485 0.000060 True native_MD 4 311 321 - N_AB42_36 C_AB42_37 1 0.000000e+00 1.322394e-06 ; 2.883645e-01 -1.322394e-06 1.694322e-01 4.626460e-02 0.000485 0.000060 True native_MD 5 311 322 + N_AB42_36 CB_AB42_36 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 314 + N_AB42_36 CG1_AB42_36 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 315 + N_AB42_36 CG2_AB42_36 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 316 + N_AB42_36 CA_AB42_37 1 0.000000e+00 3.573325e-06 ; 3.132692e-01 -3.573325e-06 9.923410e-01 9.644011e-01 0.000485 0.000060 True native_MD 4 311 321 + N_AB42_36 C_AB42_37 1 0.000000e+00 1.322375e-06 ; 2.883641e-01 -1.322375e-06 1.694322e-01 4.626460e-02 0.000485 0.000060 True native_MD 5 311 322 N_AB42_36 O_AB42_37 1 0.000000e+00 1.207303e-06 ; 2.861847e-01 -1.207303e-06 2.471762e-01 5.204509e-02 0.000485 0.000060 True native_MD 6 311 323 - N_AB42_36 N_AB42_38 1 0.000000e+00 8.003204e-07 ; 2.765458e-01 -8.003204e-07 1.920299e-01 1.063746e-01 0.000485 0.000060 True native_MD 6 311 324 + N_AB42_36 N_AB42_38 1 0.000000e+00 8.003120e-07 ; 2.765455e-01 -8.003120e-07 1.920299e-01 1.063746e-01 0.000485 0.000060 True native_MD 6 311 324 N_AB42_36 CA_AB42_38 1 3.869836e-03 2.602668e-05 ; 4.344646e-01 1.438488e-01 5.389643e-02 1.930401e-02 0.000485 0.001584 True native_MD 7 311 326 N_AB42_36 C_AB42_38 1 2.543518e-03 1.101234e-05 ; 4.037143e-01 1.468689e-01 4.840497e-03 1.026538e-04 0.000485 0.002166 True native_MD 7 311 327 N_AB42_36 O_AB42_38 1 9.611824e-04 1.915138e-06 ; 3.547309e-01 1.206012e-01 6.068339e-03 5.960047e-03 0.000485 0.002166 True native_MD 7 311 328 N_AB42_36 N_AB42_39 1 1.337599e-03 2.669240e-06 ; 3.548218e-01 1.675730e-01 2.783107e-02 1.847732e-04 0.000485 0.000060 True native_MD 7 311 329 N_AB42_36 CA_AB42_39 1 4.712678e-03 2.532921e-05 ; 4.185291e-01 2.192068e-01 4.217365e-02 1.055918e-03 0.000485 0.001339 True native_MD 7 311 331 - N_AB42_36 CB_AB42_39 1 0.000000e+00 7.353250e-06 ; 3.326863e-01 -7.353250e-06 3.607663e-02 6.803420e-03 0.000485 0.000060 True native_MD 7 311 332 - N_AB42_36 CG1_AB42_39 1 0.000000e+00 2.761074e-06 ; 3.066090e-01 -2.761074e-06 3.944193e-03 1.056028e-02 0.000485 0.000060 True native_MD 7 311 333 - N_AB42_36 CG2_AB42_39 1 0.000000e+00 2.752187e-06 ; 3.065266e-01 -2.752187e-06 1.744181e-02 2.081811e-02 0.000485 0.000060 True native_MD 7 311 334 + N_AB42_36 CB_AB42_39 1 0.000000e+00 7.353239e-06 ; 3.326863e-01 -7.353239e-06 3.607663e-02 6.803420e-03 0.000485 0.000060 True native_MD 7 311 332 + N_AB42_36 CG1_AB42_39 1 0.000000e+00 2.761047e-06 ; 3.066087e-01 -2.761047e-06 3.944193e-03 1.056028e-02 0.000485 0.000060 True native_MD 7 311 333 + N_AB42_36 CG2_AB42_39 1 0.000000e+00 2.752161e-06 ; 3.065264e-01 -2.752161e-06 1.744181e-02 2.081811e-02 0.000485 0.000060 True native_MD 7 311 334 N_AB42_36 C_AB42_39 1 1.577532e-03 2.964570e-06 ; 3.512885e-01 2.098624e-01 3.188561e-02 3.343621e-04 0.000485 0.002166 True native_MD 7 311 335 N_AB42_36 O_AB42_39 1 1.906023e-04 4.749257e-08 ; 2.508512e-01 1.912364e-01 3.932896e-02 4.665195e-03 0.000485 0.002166 True native_MD 7 311 336 N_AB42_36 N_AB42_40 1 1.519930e-03 5.813922e-06 ; 3.954646e-01 9.933858e-02 1.167223e-03 0.000000e+00 0.000485 0.000060 True native_MD 7 311 337 N_AB42_36 CA_AB42_40 1 6.552997e-03 4.979785e-05 ; 4.433994e-01 2.155804e-01 3.783646e-02 2.640691e-04 0.000485 0.001339 True native_MD 7 311 339 N_AB42_36 CB_AB42_40 1 1.179356e-03 3.969863e-06 ; 3.871285e-01 8.758998e-02 1.498493e-02 1.089625e-03 0.000485 0.000060 True native_MD 7 311 340 - N_AB42_36 CG1_AB42_40 1 0.000000e+00 2.732690e-06 ; 3.063450e-01 -2.732690e-06 6.109770e-03 2.377951e-03 0.000485 0.000060 True native_MD 7 311 341 - N_AB42_36 CG2_AB42_40 1 0.000000e+00 2.719569e-06 ; 3.062222e-01 -2.719569e-06 1.167213e-02 3.156658e-03 0.000485 0.000060 True native_MD 7 311 342 + N_AB42_36 CG1_AB42_40 1 0.000000e+00 2.732664e-06 ; 3.063448e-01 -2.732664e-06 6.109770e-03 2.377951e-03 0.000485 0.000060 True native_MD 7 311 341 + N_AB42_36 CG2_AB42_40 1 0.000000e+00 2.719543e-06 ; 3.062220e-01 -2.719543e-06 1.167213e-02 3.156658e-03 0.000485 0.000060 True native_MD 7 311 342 N_AB42_36 O_AB42_40 1 2.301713e-03 7.413721e-06 ; 3.842945e-01 1.786513e-01 1.253010e-02 4.264107e-04 0.000485 0.002166 True native_MD 7 311 344 N_AB42_36 N_AB42_41 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 3.625979e-04 0.000000e+00 0.000485 0.000060 True native_MD 7 311 345 N_AB42_36 CA_AB42_41 1 4.081916e-03 3.633232e-05 ; 4.552377e-01 1.146502e-01 1.845671e-03 1.134187e-04 0.000485 0.001339 True native_MD 7 311 347 N_AB42_36 CB_AB42_41 1 2.881231e-03 1.981650e-05 ; 4.360887e-01 1.047295e-01 7.606076e-03 3.311509e-04 0.000485 0.000060 True native_MD 7 311 348 N_AB42_36 CG1_AB42_41 1 1.525169e-03 4.868799e-06 ; 3.837226e-01 1.194411e-01 1.793277e-02 5.027021e-04 0.000485 0.000060 True native_MD 7 311 349 - N_AB42_36 CG2_AB42_41 1 0.000000e+00 2.726021e-06 ; 3.062827e-01 -2.726021e-06 7.206499e-03 1.043485e-03 0.000485 0.000060 True native_MD 7 311 350 - N_AB42_36 CD_AB42_41 1 0.000000e+00 2.721127e-06 ; 3.062368e-01 -2.721127e-06 1.037642e-02 2.428846e-03 0.000485 0.000060 True native_MD 7 311 351 + N_AB42_36 CG2_AB42_41 1 0.000000e+00 2.725996e-06 ; 3.062824e-01 -2.725996e-06 7.206499e-03 1.043485e-03 0.000485 0.000060 True native_MD 7 311 350 + N_AB42_36 CD_AB42_41 1 0.000000e+00 2.721101e-06 ; 3.062366e-01 -2.721101e-06 1.037642e-02 2.428846e-03 0.000485 0.000060 True native_MD 7 311 351 N_AB42_36 O_AB42_41 1 1.120837e-03 3.279374e-06 ; 3.781883e-01 9.577102e-02 1.049029e-03 1.590414e-04 0.000485 0.002166 True native_MD 7 311 353 N_AB42_36 N_AB42_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.000485 0.000060 True native_MD 7 311 354 N_AB42_36 CA_AB42_42 1 2.078780e-03 1.492168e-05 ; 4.392059e-01 7.240013e-02 5.212473e-04 2.729939e-04 0.000485 0.001339 True native_MD 7 311 356 - N_AB42_36 CB_AB42_42 1 0.000000e+00 2.739704e-06 ; 3.064105e-01 -2.739704e-06 1.668176e-03 4.935852e-04 0.000485 0.000060 True native_MD 7 311 357 + N_AB42_36 CB_AB42_42 1 0.000000e+00 2.739678e-06 ; 3.064103e-01 -2.739678e-06 1.668176e-03 4.935852e-04 0.000485 0.000060 True native_MD 7 311 357 H_AB42_36 H_AB42_36 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 312 312 - H_AB42_36 O_AB42_36 1 0.000000e+00 1.707370e-08 ; 2.006884e-01 -1.707370e-08 3.538157e-01 4.541949e-01 0.000485 0.000060 True native_MD 4 312 318 + H_AB42_36 O_AB42_36 1 0.000000e+00 1.707397e-08 ; 2.006887e-01 -1.707397e-08 3.538157e-01 4.541949e-01 0.000485 0.000060 True native_MD 4 312 318 H_AB42_36 H_AB42_37 1 0.000000e+00 1.061759e-08 ; 1.928992e-01 -1.061759e-08 4.547728e-01 3.395718e-01 0.000485 0.000060 True native_MD 5 312 320 H_AB42_36 O_AB42_37 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 312 323 H_AB42_36 H_AB42_38 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 312 325 @@ -50055,10 +50055,10 @@ CD2_AB42_34 O2_AB42_42 1 0.000000e+00 1.218512e-06 ; 2.864051e-01 -1.218512 H_AB42_36 H_AB42_42 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 312 355 H_AB42_36 O1_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 312 359 H_AB42_36 O2_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 312 360 - CA_AB42_36 C_AB42_37 1 0.000000e+00 1.305178e-05 ; 3.489802e-01 -1.305178e-05 9.999987e-01 9.999925e-01 0.000485 0.000060 True native_MD 4 313 322 - CA_AB42_36 O_AB42_37 1 0.000000e+00 2.771271e-06 ; 3.067032e-01 -2.771271e-06 5.682551e-01 2.354693e-01 0.000485 0.000060 True native_MD 5 313 323 - CA_AB42_36 N_AB42_38 1 0.000000e+00 1.000189e-05 ; 3.413253e-01 -1.000189e-05 4.508620e-01 7.712440e-01 0.000485 0.000060 True native_MD 5 313 324 - CA_AB42_36 CA_AB42_38 1 0.000000e+00 3.984099e-05 ; 3.829915e-01 -3.984099e-05 4.076010e-01 6.599247e-01 0.000485 0.000060 True native_MD 6 313 326 + CA_AB42_36 C_AB42_37 1 0.000000e+00 1.305172e-05 ; 3.489801e-01 -1.305172e-05 9.999987e-01 9.999925e-01 0.000485 0.000060 True native_MD 4 313 322 + CA_AB42_36 O_AB42_37 1 0.000000e+00 2.771293e-06 ; 3.067034e-01 -2.771293e-06 5.682551e-01 2.354693e-01 0.000485 0.000060 True native_MD 5 313 323 + CA_AB42_36 N_AB42_38 1 0.000000e+00 1.000187e-05 ; 3.413253e-01 -1.000187e-05 4.508620e-01 7.712440e-01 0.000485 0.000060 True native_MD 5 313 324 + CA_AB42_36 CA_AB42_38 1 0.000000e+00 3.984082e-05 ; 3.829914e-01 -3.984082e-05 4.076010e-01 6.599247e-01 0.000485 0.000060 True native_MD 6 313 326 CA_AB42_36 C_AB42_38 1 6.279313e-03 8.148255e-05 ; 4.847585e-01 1.209761e-01 6.020016e-02 3.613675e-02 0.000485 0.001339 True native_MD 7 313 327 CA_AB42_36 O_AB42_38 1 1.830906e-03 9.274358e-06 ; 4.144158e-01 9.036251e-02 2.265961e-02 3.400075e-02 0.000485 0.001339 True native_MD 7 313 328 CA_AB42_36 N_AB42_39 1 2.767386e-03 1.658169e-05 ; 4.261801e-01 1.154651e-01 9.560393e-02 6.767959e-02 0.000485 0.001339 True native_MD 7 313 329 @@ -50087,158 +50087,158 @@ CD2_AB42_34 O2_AB42_42 1 0.000000e+00 1.218512e-06 ; 2.864051e-01 -1.218512 CA_AB42_36 CA_AB42_42 1 6.079463e-03 8.138597e-05 ; 4.872824e-01 1.135327e-01 1.337190e-02 6.612084e-03 0.000485 0.000883 True native_MD 7 313 356 CA_AB42_36 CB_AB42_42 1 2.901229e-03 1.550520e-05 ; 4.181344e-01 1.357146e-01 1.373032e-02 7.653689e-03 0.000485 0.001932 True native_MD 7 313 357 CA_AB42_36 C_AB42_42 1 1.340334e-03 5.897054e-06 ; 4.047968e-01 7.616068e-02 6.893636e-04 1.582162e-03 0.000485 0.001339 True native_MD 7 313 358 - CB_AB42_36 C_AB42_36 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 314 317 + CB_AB42_36 C_AB42_36 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 314 317 CB_AB42_36 O_AB42_36 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 314 318 - CB_AB42_36 N_AB42_37 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 314 319 - CB_AB42_36 CA_AB42_37 1 0.000000e+00 3.181369e-05 ; 3.758774e-01 -3.181369e-05 9.999981e-01 9.999992e-01 0.000485 0.000060 True native_MD 4 314 321 - CB_AB42_36 C_AB42_37 1 0.000000e+00 1.211665e-05 ; 3.468249e-01 -1.211665e-05 6.650070e-01 5.933534e-01 0.000485 0.000060 True native_MD 5 314 322 - CB_AB42_36 O_AB42_37 1 0.000000e+00 3.661673e-06 ; 3.139075e-01 -3.661673e-06 2.183311e-01 9.991964e-02 0.000485 0.000060 True native_MD 6 314 323 - CB_AB42_36 N_AB42_38 1 0.000000e+00 9.461283e-06 ; 3.397485e-01 -9.461283e-06 1.365992e-01 3.856143e-01 0.000485 0.000060 True native_MD 6 314 324 - CB_AB42_36 CA_AB42_38 1 0.000000e+00 3.860950e-05 ; 3.819908e-01 -3.860950e-05 1.045680e-01 3.181823e-01 0.000485 0.001021 True native_MD 7 314 326 - CB_AB42_36 C_AB42_38 1 0.000000e+00 1.348015e-05 ; 3.499206e-01 -1.348015e-05 4.499426e-02 7.780801e-02 0.000485 0.000060 True native_MD 7 314 327 + CB_AB42_36 N_AB42_37 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 314 319 + CB_AB42_36 CA_AB42_37 1 0.000000e+00 3.181355e-05 ; 3.758772e-01 -3.181355e-05 9.999981e-01 9.999992e-01 0.000485 0.000060 True native_MD 4 314 321 + CB_AB42_36 C_AB42_37 1 0.000000e+00 1.211659e-05 ; 3.468247e-01 -1.211659e-05 6.650070e-01 5.933534e-01 0.000485 0.000060 True native_MD 5 314 322 + CB_AB42_36 O_AB42_37 1 0.000000e+00 3.661702e-06 ; 3.139077e-01 -3.661702e-06 2.183311e-01 9.991964e-02 0.000485 0.000060 True native_MD 6 314 323 + CB_AB42_36 N_AB42_38 1 0.000000e+00 9.461268e-06 ; 3.397484e-01 -9.461268e-06 1.365992e-01 3.856143e-01 0.000485 0.000060 True native_MD 6 314 324 + CB_AB42_36 CA_AB42_38 1 0.000000e+00 3.860934e-05 ; 3.819906e-01 -3.860934e-05 1.045680e-01 3.181823e-01 0.000485 0.001021 True native_MD 7 314 326 + CB_AB42_36 C_AB42_38 1 0.000000e+00 1.348008e-05 ; 3.499205e-01 -1.348008e-05 4.499426e-02 7.780801e-02 0.000485 0.000060 True native_MD 7 314 327 CB_AB42_36 O_AB42_38 1 1.199106e-03 3.714631e-06 ; 3.818062e-01 9.676975e-02 3.458003e-02 3.808980e-02 0.000485 0.001191 True native_MD 7 314 328 - CB_AB42_36 N_AB42_39 1 0.000000e+00 7.873945e-06 ; 3.345885e-01 -7.873945e-06 2.676480e-02 6.623014e-02 0.000485 0.000060 True native_MD 7 314 329 + CB_AB42_36 N_AB42_39 1 0.000000e+00 7.873932e-06 ; 3.345885e-01 -7.873932e-06 2.676480e-02 6.623014e-02 0.000485 0.000060 True native_MD 7 314 329 CB_AB42_36 CA_AB42_39 1 5.281415e-03 8.505680e-05 ; 5.025275e-01 8.198445e-02 8.498111e-02 1.080163e-01 0.000485 0.000883 True native_MD 7 314 331 CB_AB42_36 CB_AB42_39 1 2.112730e-03 1.467345e-05 ; 4.367987e-01 7.604939e-02 8.436418e-02 1.280740e-01 0.000485 0.000883 True native_MD 7 314 332 CB_AB42_36 CG1_AB42_39 1 1.220301e-03 4.384392e-06 ; 3.913576e-01 8.491115e-02 2.874402e-02 7.328467e-02 0.000485 0.001932 True native_MD 7 314 333 CB_AB42_36 CG2_AB42_39 1 9.946781e-04 2.678796e-06 ; 3.730006e-01 9.233482e-02 6.186138e-02 1.262997e-01 0.000485 0.001932 True native_MD 7 314 334 - CB_AB42_36 C_AB42_39 1 0.000000e+00 1.291672e-05 ; 3.486778e-01 -1.291672e-05 3.823617e-02 2.788151e-02 0.000485 0.000060 True native_MD 7 314 335 + CB_AB42_36 C_AB42_39 1 0.000000e+00 1.291665e-05 ; 3.486777e-01 -1.291665e-05 3.823617e-02 2.788151e-02 0.000485 0.000060 True native_MD 7 314 335 CB_AB42_36 O_AB42_39 1 7.405882e-04 1.313449e-06 ; 3.479147e-01 1.043952e-01 5.027240e-02 4.407657e-02 0.000485 0.001191 True native_MD 7 314 336 - CB_AB42_36 N_AB42_40 1 0.000000e+00 7.533902e-06 ; 3.333599e-01 -7.533902e-06 1.186302e-02 6.438178e-03 0.000485 0.000060 True native_MD 7 314 337 + CB_AB42_36 N_AB42_40 1 0.000000e+00 7.533890e-06 ; 3.333598e-01 -7.533890e-06 1.186302e-02 6.438178e-03 0.000485 0.000060 True native_MD 7 314 337 CB_AB42_36 CA_AB42_40 1 4.039154e-03 3.805849e-05 ; 4.595790e-01 1.071690e-01 6.715086e-02 4.017009e-02 0.000485 0.000883 True native_MD 7 314 339 CB_AB42_36 CB_AB42_40 1 2.471222e-03 1.446667e-05 ; 4.245311e-01 1.055346e-01 7.950951e-02 4.994735e-02 0.000485 0.000883 True native_MD 7 314 340 CB_AB42_36 CG1_AB42_40 1 1.611431e-03 4.817580e-06 ; 3.795505e-01 1.347518e-01 6.029710e-02 3.459395e-02 0.000485 0.001932 True native_MD 7 314 341 CB_AB42_36 CG2_AB42_40 1 1.314399e-03 3.294658e-06 ; 3.685648e-01 1.310944e-01 6.977481e-02 4.466179e-02 0.000485 0.001932 True native_MD 7 314 342 - CB_AB42_36 C_AB42_40 1 0.000000e+00 1.291209e-05 ; 3.486674e-01 -1.291209e-05 1.738616e-02 6.677182e-03 0.000485 0.000060 True native_MD 7 314 343 + CB_AB42_36 C_AB42_40 1 0.000000e+00 1.291203e-05 ; 3.486673e-01 -1.291203e-05 1.738616e-02 6.677182e-03 0.000485 0.000060 True native_MD 7 314 343 CB_AB42_36 O_AB42_40 1 1.314820e-03 3.716314e-06 ; 3.760172e-01 1.162948e-01 1.612116e-02 9.899629e-03 0.000485 0.001191 True native_MD 7 314 344 - CB_AB42_36 N_AB42_41 1 0.000000e+00 7.549865e-06 ; 3.334187e-01 -7.549865e-06 5.243045e-03 1.925601e-03 0.000485 0.000060 True native_MD 7 314 345 + CB_AB42_36 N_AB42_41 1 0.000000e+00 7.549853e-06 ; 3.334186e-01 -7.549853e-06 5.243045e-03 1.925601e-03 0.000485 0.000060 True native_MD 7 314 345 CB_AB42_36 CA_AB42_41 1 6.378837e-03 8.478476e-05 ; 4.867015e-01 1.199790e-01 3.333924e-02 1.359315e-02 0.000485 0.000883 True native_MD 7 314 347 CB_AB42_36 CB_AB42_41 1 3.554984e-03 2.727089e-05 ; 4.440961e-01 1.158553e-01 4.308090e-02 1.987208e-02 0.000485 0.000883 True native_MD 7 314 348 CB_AB42_36 CG1_AB42_41 1 1.273605e-03 3.414626e-06 ; 3.727217e-01 1.187590e-01 4.541526e-02 2.221476e-02 0.000485 0.001021 True native_MD 7 314 349 CB_AB42_36 CG2_AB42_41 1 1.340107e-03 3.528940e-06 ; 3.716072e-01 1.272256e-01 2.273835e-02 1.634096e-02 0.000485 0.001932 True native_MD 7 314 350 CB_AB42_36 CD_AB42_41 1 1.635861e-03 4.923217e-06 ; 3.799710e-01 1.358889e-01 4.584516e-02 2.542253e-02 0.000485 0.001932 True native_MD 7 314 351 - CB_AB42_36 C_AB42_41 1 0.000000e+00 1.300313e-05 ; 3.488716e-01 -1.300313e-05 6.682560e-03 2.948870e-03 0.000485 0.000060 True native_MD 7 314 352 + CB_AB42_36 C_AB42_41 1 0.000000e+00 1.300307e-05 ; 3.488715e-01 -1.300307e-05 6.682560e-03 2.948870e-03 0.000485 0.000060 True native_MD 7 314 352 CB_AB42_36 O_AB42_41 1 7.252089e-04 1.159562e-06 ; 3.419572e-01 1.133894e-01 4.780981e-03 3.202581e-03 0.000485 0.001191 True native_MD 7 314 353 - CB_AB42_36 N_AB42_42 1 0.000000e+00 7.555372e-06 ; 3.334389e-01 -7.555372e-06 4.154804e-03 1.564299e-03 0.000485 0.000060 True native_MD 7 314 354 + CB_AB42_36 N_AB42_42 1 0.000000e+00 7.555360e-06 ; 3.334389e-01 -7.555360e-06 4.154804e-03 1.564299e-03 0.000485 0.000060 True native_MD 7 314 354 CB_AB42_36 CA_AB42_42 1 2.872588e-03 2.082635e-05 ; 4.399365e-01 9.905435e-02 1.572269e-02 1.199063e-02 0.000485 0.000883 True native_MD 7 314 356 CB_AB42_36 CB_AB42_42 1 1.677430e-03 5.475253e-06 ; 3.851471e-01 1.284768e-01 1.665413e-02 1.152868e-02 0.000485 0.001932 True native_MD 7 314 357 - CB_AB42_36 C_AB42_42 1 0.000000e+00 1.307601e-05 ; 3.490342e-01 -1.307601e-05 1.277230e-03 3.126856e-03 0.000485 0.000060 True native_MD 7 314 358 - CB_AB42_36 O1_AB42_42 1 0.000000e+00 3.366485e-06 ; 3.117164e-01 -3.366485e-06 6.318707e-04 1.903468e-03 0.000485 0.000060 True native_MD 7 314 359 - CB_AB42_36 O2_AB42_42 1 0.000000e+00 3.366485e-06 ; 3.117164e-01 -3.366485e-06 6.318707e-04 1.903468e-03 0.000485 0.000060 True native_MD 7 314 360 -CG1_AB42_36 C_AB42_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 315 317 + CB_AB42_36 C_AB42_42 1 0.000000e+00 1.307594e-05 ; 3.490340e-01 -1.307594e-05 1.277230e-03 3.126856e-03 0.000485 0.000060 True native_MD 7 314 358 + CB_AB42_36 O1_AB42_42 1 0.000000e+00 3.366512e-06 ; 3.117167e-01 -3.366512e-06 6.318707e-04 1.903468e-03 0.000485 0.000060 True native_MD 7 314 359 + CB_AB42_36 O2_AB42_42 1 0.000000e+00 3.366512e-06 ; 3.117167e-01 -3.366512e-06 6.318707e-04 1.903468e-03 0.000485 0.000060 True native_MD 7 314 360 +CG1_AB42_36 C_AB42_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 315 317 CG1_AB42_36 O_AB42_36 1 0.000000e+00 1.415160e-06 ; 2.899983e-01 -1.415160e-06 9.413336e-01 8.822699e-01 0.000485 0.000060 True native_MD 4 315 318 -CG1_AB42_36 N_AB42_37 1 0.000000e+00 2.705456e-06 ; 3.060895e-01 -2.705456e-06 9.884534e-01 9.747929e-01 0.000485 0.000060 True native_MD 4 315 319 -CG1_AB42_36 CA_AB42_37 1 0.000000e+00 1.039740e-05 ; 3.424302e-01 -1.039740e-05 6.743388e-01 5.769056e-01 0.000485 0.000060 True native_MD 5 315 321 -CG1_AB42_36 C_AB42_37 1 0.000000e+00 4.825484e-06 ; 3.212108e-01 -4.825484e-06 1.689793e-01 1.900046e-01 0.000485 0.000060 True native_MD 6 315 322 +CG1_AB42_36 N_AB42_37 1 0.000000e+00 2.705431e-06 ; 3.060892e-01 -2.705431e-06 9.884534e-01 9.747929e-01 0.000485 0.000060 True native_MD 4 315 319 +CG1_AB42_36 CA_AB42_37 1 0.000000e+00 1.039727e-05 ; 3.424299e-01 -1.039727e-05 6.743388e-01 5.769056e-01 0.000485 0.000060 True native_MD 5 315 321 +CG1_AB42_36 C_AB42_37 1 0.000000e+00 4.825421e-06 ; 3.212104e-01 -4.825421e-06 1.689793e-01 1.900046e-01 0.000485 0.000060 True native_MD 6 315 322 CG1_AB42_36 O_AB42_37 1 5.494083e-04 5.937282e-07 ; 3.203431e-01 1.270992e-01 1.057337e-01 4.699095e-02 0.000485 0.001191 True native_MD 7 315 323 -CG1_AB42_36 N_AB42_38 1 0.000000e+00 3.042781e-06 ; 3.091013e-01 -3.042781e-06 6.941290e-02 1.787324e-01 0.000485 0.000060 True native_MD 7 315 324 +CG1_AB42_36 N_AB42_38 1 0.000000e+00 3.042753e-06 ; 3.091011e-01 -3.042753e-06 6.941290e-02 1.787324e-01 0.000485 0.000060 True native_MD 7 315 324 CG1_AB42_36 CA_AB42_38 1 9.984613e-04 2.678904e-06 ; 3.727672e-01 9.303478e-02 6.852538e-02 1.653298e-01 0.000485 0.002332 True native_MD 7 315 326 -CG1_AB42_36 C_AB42_38 1 0.000000e+00 4.858614e-06 ; 3.213940e-01 -4.858614e-06 4.543987e-02 7.347514e-02 0.000485 0.000060 True native_MD 7 315 327 +CG1_AB42_36 C_AB42_38 1 0.000000e+00 4.858550e-06 ; 3.213936e-01 -4.858550e-06 4.543987e-02 7.347514e-02 0.000485 0.000060 True native_MD 7 315 327 CG1_AB42_36 O_AB42_38 1 3.817498e-04 3.414287e-07 ; 3.103989e-01 1.067082e-01 3.494926e-02 2.859262e-02 0.000485 0.001191 True native_MD 7 315 328 -CG1_AB42_36 N_AB42_39 1 0.000000e+00 2.818892e-06 ; 3.071389e-01 -2.818892e-06 2.633935e-02 5.403463e-02 0.000485 0.000060 True native_MD 7 315 329 +CG1_AB42_36 N_AB42_39 1 0.000000e+00 2.818866e-06 ; 3.071387e-01 -2.818866e-06 2.633935e-02 5.403463e-02 0.000485 0.000060 True native_MD 7 315 329 CG1_AB42_36 CA_AB42_39 1 2.831451e-03 2.015557e-05 ; 4.385957e-01 9.944041e-02 4.591076e-02 7.577887e-02 0.000485 0.001932 True native_MD 7 315 331 CG1_AB42_36 CB_AB42_39 1 1.598404e-03 6.895609e-06 ; 4.034729e-01 9.262760e-02 3.905066e-02 7.903253e-02 0.000485 0.001932 True native_MD 7 315 332 CG1_AB42_36 CG1_AB42_39 1 7.189869e-04 1.165391e-06 ; 3.427350e-01 1.108946e-01 1.366450e-02 4.402729e-02 0.000485 0.005315 True native_MD 7 315 333 CG1_AB42_36 CG2_AB42_39 1 7.399302e-04 1.116970e-06 ; 3.386947e-01 1.225406e-01 3.213870e-02 7.307986e-02 0.000485 0.005315 True native_MD 7 315 334 -CG1_AB42_36 C_AB42_39 1 0.000000e+00 4.740884e-06 ; 3.207377e-01 -4.740884e-06 2.338986e-02 2.651467e-02 0.000485 0.000060 True native_MD 7 315 335 +CG1_AB42_36 C_AB42_39 1 0.000000e+00 4.740822e-06 ; 3.207373e-01 -4.740822e-06 2.338986e-02 2.651467e-02 0.000485 0.000060 True native_MD 7 315 335 CG1_AB42_36 O_AB42_39 1 2.587420e-04 1.946518e-07 ; 3.015772e-01 8.598361e-02 2.272072e-02 3.456116e-02 0.000485 0.001191 True native_MD 7 315 336 -CG1_AB42_36 N_AB42_40 1 0.000000e+00 2.724411e-06 ; 3.062676e-01 -2.724411e-06 1.659300e-02 9.842675e-03 0.000485 0.000060 True native_MD 7 315 337 +CG1_AB42_36 N_AB42_40 1 0.000000e+00 2.724385e-06 ; 3.062674e-01 -2.724385e-06 1.659300e-02 9.842675e-03 0.000485 0.000060 True native_MD 7 315 337 CG1_AB42_36 CA_AB42_40 1 1.906642e-03 7.140608e-06 ; 3.940739e-01 1.272750e-01 5.200237e-02 3.731642e-02 0.000485 0.001932 True native_MD 7 315 339 CG1_AB42_36 CB_AB42_40 1 1.877055e-03 6.623980e-06 ; 3.901878e-01 1.329765e-01 6.789490e-02 4.107845e-02 0.000485 0.001932 True native_MD 7 315 340 CG1_AB42_36 CG1_AB42_40 1 1.161239e-03 2.059988e-06 ; 3.479289e-01 1.636509e-01 4.436885e-02 2.948154e-02 0.000485 0.005315 True native_MD 7 315 341 CG1_AB42_36 CG2_AB42_40 1 1.039840e-03 1.651982e-06 ; 3.415911e-01 1.636317e-01 5.208449e-02 3.462826e-02 0.000485 0.005315 True native_MD 7 315 342 -CG1_AB42_36 C_AB42_40 1 0.000000e+00 4.702106e-06 ; 3.205182e-01 -4.702106e-06 1.380061e-02 8.720465e-03 0.000485 0.000060 True native_MD 7 315 343 +CG1_AB42_36 C_AB42_40 1 0.000000e+00 4.702045e-06 ; 3.205179e-01 -4.702045e-06 1.380061e-02 8.720465e-03 0.000485 0.000060 True native_MD 7 315 343 CG1_AB42_36 O_AB42_40 1 5.825352e-04 7.613581e-07 ; 3.306571e-01 1.114283e-01 1.371070e-02 9.739351e-03 0.000485 0.001191 True native_MD 7 315 344 -CG1_AB42_36 N_AB42_41 1 0.000000e+00 2.741433e-06 ; 3.064266e-01 -2.741433e-06 5.060844e-03 4.516546e-03 0.000485 0.000060 True native_MD 7 315 345 +CG1_AB42_36 N_AB42_41 1 0.000000e+00 2.741407e-06 ; 3.064264e-01 -2.741407e-06 5.060844e-03 4.516546e-03 0.000485 0.000060 True native_MD 7 315 345 CG1_AB42_36 CA_AB42_41 1 2.065590e-03 8.662669e-06 ; 4.015762e-01 1.231336e-01 1.794609e-02 1.457709e-02 0.000485 0.001932 True native_MD 7 315 347 CG1_AB42_36 CB_AB42_41 1 1.927025e-03 7.934446e-06 ; 4.003485e-01 1.170033e-01 1.935596e-02 1.888815e-02 0.000485 0.001932 True native_MD 7 315 348 CG1_AB42_36 CG1_AB42_41 1 1.379377e-03 3.502856e-06 ; 3.693657e-01 1.357949e-01 2.921624e-02 1.960584e-02 0.000485 0.002332 True native_MD 7 315 349 CG1_AB42_36 CG2_AB42_41 1 1.156038e-03 2.204643e-06 ; 3.521500e-01 1.515465e-01 1.528975e-02 1.459450e-02 0.000485 0.005315 True native_MD 7 315 350 CG1_AB42_36 CD_AB42_41 1 1.459755e-03 3.297783e-06 ; 3.622350e-01 1.615391e-01 3.097884e-02 2.192724e-02 0.000485 0.005315 True native_MD 7 315 351 -CG1_AB42_36 C_AB42_41 1 0.000000e+00 4.704847e-06 ; 3.205338e-01 -4.704847e-06 8.229230e-03 3.728896e-03 0.000485 0.000060 True native_MD 7 315 352 +CG1_AB42_36 C_AB42_41 1 0.000000e+00 4.704785e-06 ; 3.205334e-01 -4.704785e-06 8.229230e-03 3.728896e-03 0.000485 0.000060 True native_MD 7 315 352 CG1_AB42_36 O_AB42_41 1 5.844842e-04 7.368847e-07 ; 3.286784e-01 1.159007e-01 5.505617e-03 3.420976e-03 0.000485 0.001191 True native_MD 7 315 353 -CG1_AB42_36 N_AB42_42 1 0.000000e+00 2.726036e-06 ; 3.062828e-01 -2.726036e-06 8.814598e-03 2.656778e-03 0.000485 0.000060 True native_MD 7 315 354 +CG1_AB42_36 N_AB42_42 1 0.000000e+00 2.726010e-06 ; 3.062826e-01 -2.726010e-06 8.814598e-03 2.656778e-03 0.000485 0.000060 True native_MD 7 315 354 CG1_AB42_36 CA_AB42_42 1 1.150214e-03 2.606666e-06 ; 3.624247e-01 1.268854e-01 1.499920e-02 1.088952e-02 0.000485 0.001932 True native_MD 7 315 356 CG1_AB42_36 CB_AB42_42 1 1.019557e-03 1.594027e-06 ; 3.406806e-01 1.630300e-01 1.532154e-02 1.037158e-02 0.000485 0.005315 True native_MD 7 315 357 -CG1_AB42_36 C_AB42_42 1 0.000000e+00 4.730936e-06 ; 3.206815e-01 -4.730936e-06 2.580819e-03 3.600683e-03 0.000485 0.000060 True native_MD 7 315 358 +CG1_AB42_36 C_AB42_42 1 0.000000e+00 4.730874e-06 ; 3.206812e-01 -4.730874e-06 2.580819e-03 3.600683e-03 0.000485 0.000060 True native_MD 7 315 358 CG1_AB42_36 O1_AB42_42 1 0.000000e+00 1.219160e-06 ; 2.864178e-01 -1.219160e-06 5.085360e-04 1.900465e-03 0.000485 0.000060 True native_MD 7 315 359 CG1_AB42_36 O2_AB42_42 1 0.000000e+00 1.219160e-06 ; 2.864178e-01 -1.219160e-06 5.085360e-04 1.900465e-03 0.000485 0.000060 True native_MD 7 315 360 -CG2_AB42_36 C_AB42_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 317 +CG2_AB42_36 C_AB42_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 317 CG2_AB42_36 O_AB42_36 1 0.000000e+00 1.462631e-06 ; 2.907968e-01 -1.462631e-06 9.512802e-01 9.237799e-01 0.000485 0.000060 True native_MD 4 316 318 -CG2_AB42_36 N_AB42_37 1 0.000000e+00 2.692541e-06 ; 3.059674e-01 -2.692541e-06 9.903513e-01 9.719820e-01 0.000485 0.000060 True native_MD 4 316 319 -CG2_AB42_36 CA_AB42_37 1 0.000000e+00 1.320329e-05 ; 3.493160e-01 -1.320329e-05 4.159219e-01 5.620593e-01 0.000485 0.000060 True native_MD 5 316 321 -CG2_AB42_36 C_AB42_37 1 0.000000e+00 4.783144e-06 ; 3.209749e-01 -4.783144e-06 1.412648e-01 1.533315e-01 0.000485 0.000060 True native_MD 6 316 322 +CG2_AB42_36 N_AB42_37 1 0.000000e+00 2.692515e-06 ; 3.059672e-01 -2.692515e-06 9.903513e-01 9.719820e-01 0.000485 0.000060 True native_MD 4 316 319 +CG2_AB42_36 CA_AB42_37 1 0.000000e+00 1.320312e-05 ; 3.493157e-01 -1.320312e-05 4.159219e-01 5.620593e-01 0.000485 0.000060 True native_MD 5 316 321 +CG2_AB42_36 C_AB42_37 1 0.000000e+00 4.783082e-06 ; 3.209746e-01 -4.783082e-06 1.412648e-01 1.533315e-01 0.000485 0.000060 True native_MD 6 316 322 CG2_AB42_36 O_AB42_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 323 -CG2_AB42_36 N_AB42_38 1 0.000000e+00 3.065058e-06 ; 3.092893e-01 -3.065058e-06 4.140709e-02 1.588480e-01 0.000485 0.000060 True native_MD 7 316 324 +CG2_AB42_36 N_AB42_38 1 0.000000e+00 3.065029e-06 ; 3.092891e-01 -3.065029e-06 4.140709e-02 1.588480e-01 0.000485 0.000060 True native_MD 7 316 324 CG2_AB42_36 CA_AB42_38 1 1.188320e-03 4.438345e-06 ; 3.938957e-01 7.954005e-02 4.004493e-02 1.446884e-01 0.000485 0.002332 True native_MD 7 316 326 -CG2_AB42_36 C_AB42_38 1 0.000000e+00 4.898473e-06 ; 3.216129e-01 -4.898473e-06 2.106273e-02 5.753193e-02 0.000485 0.000060 True native_MD 7 316 327 +CG2_AB42_36 C_AB42_38 1 0.000000e+00 4.898409e-06 ; 3.216125e-01 -4.898409e-06 2.106273e-02 5.753193e-02 0.000485 0.000060 True native_MD 7 316 327 CG2_AB42_36 O_AB42_38 1 2.515152e-04 2.164668e-07 ; 3.084167e-01 7.305960e-02 1.170222e-02 2.620617e-02 0.000485 0.001191 True native_MD 7 316 328 -CG2_AB42_36 N_AB42_39 1 0.000000e+00 2.819717e-06 ; 3.071464e-01 -2.819717e-06 1.322894e-02 4.122473e-02 0.000485 0.000060 True native_MD 7 316 329 +CG2_AB42_36 N_AB42_39 1 0.000000e+00 2.819690e-06 ; 3.071462e-01 -2.819690e-06 1.322894e-02 4.122473e-02 0.000485 0.000060 True native_MD 7 316 329 CG2_AB42_36 CA_AB42_39 1 2.034715e-03 1.205225e-05 ; 4.253640e-01 8.587741e-02 2.468719e-02 6.114757e-02 0.000485 0.001932 True native_MD 7 316 331 CG2_AB42_36 CB_AB42_39 1 1.418288e-03 5.511640e-06 ; 3.965087e-01 9.124053e-02 3.052276e-02 6.439151e-02 0.000485 0.001932 True native_MD 7 316 332 CG2_AB42_36 CG1_AB42_39 1 8.292383e-04 1.547820e-06 ; 3.508920e-01 1.110653e-01 1.264253e-02 4.052700e-02 0.000485 0.005315 True native_MD 7 316 333 CG2_AB42_36 CG2_AB42_39 1 8.114862e-04 1.302124e-06 ; 3.421595e-01 1.264299e-01 3.065970e-02 6.205674e-02 0.000485 0.005315 True native_MD 7 316 334 -CG2_AB42_36 C_AB42_39 1 0.000000e+00 4.761151e-06 ; 3.208517e-01 -4.761151e-06 1.189750e-02 1.931061e-02 0.000485 0.000060 True native_MD 7 316 335 +CG2_AB42_36 C_AB42_39 1 0.000000e+00 4.761089e-06 ; 3.208513e-01 -4.761089e-06 1.189750e-02 1.931061e-02 0.000485 0.000060 True native_MD 7 316 335 CG2_AB42_36 O_AB42_39 1 2.639416e-04 2.050230e-07 ; 3.031907e-01 8.494796e-02 1.680624e-02 2.636919e-02 0.000485 0.001191 True native_MD 7 316 336 -CG2_AB42_36 N_AB42_40 1 0.000000e+00 2.745482e-06 ; 3.064643e-01 -2.745482e-06 6.211336e-03 7.143040e-03 0.000485 0.000060 True native_MD 7 316 337 +CG2_AB42_36 N_AB42_40 1 0.000000e+00 2.745456e-06 ; 3.064641e-01 -2.745456e-06 6.211336e-03 7.143040e-03 0.000485 0.000060 True native_MD 7 316 337 CG2_AB42_36 CA_AB42_40 1 2.244912e-03 9.680833e-06 ; 4.034462e-01 1.301445e-01 4.021078e-02 2.648047e-02 0.000485 0.001932 True native_MD 7 316 339 CG2_AB42_36 CB_AB42_40 1 1.839978e-03 6.252673e-06 ; 3.877414e-01 1.353629e-01 5.585857e-02 3.146666e-02 0.000485 0.001932 True native_MD 7 316 340 CG2_AB42_36 CG1_AB42_40 1 1.235028e-03 2.229539e-06 ; 3.489445e-01 1.710324e-01 4.252835e-02 2.265773e-02 0.000485 0.005315 True native_MD 7 316 341 CG2_AB42_36 CG2_AB42_40 1 1.185548e-03 2.047385e-06 ; 3.463752e-01 1.716241e-01 5.235013e-02 2.740090e-02 0.000485 0.005315 True native_MD 7 316 342 -CG2_AB42_36 C_AB42_40 1 0.000000e+00 4.721921e-06 ; 3.206305e-01 -4.721921e-06 6.411992e-03 5.524463e-03 0.000485 0.000060 True native_MD 7 316 343 +CG2_AB42_36 C_AB42_40 1 0.000000e+00 4.721859e-06 ; 3.206302e-01 -4.721859e-06 6.411992e-03 5.524463e-03 0.000485 0.000060 True native_MD 7 316 343 CG2_AB42_36 O_AB42_40 1 4.355413e-04 5.572195e-07 ; 3.294829e-01 8.510841e-02 4.753712e-03 7.422904e-03 0.000485 0.001191 True native_MD 7 316 344 -CG2_AB42_36 N_AB42_41 1 0.000000e+00 2.738985e-06 ; 3.064038e-01 -2.738985e-06 3.605872e-03 2.169177e-03 0.000485 0.000060 True native_MD 7 316 345 +CG2_AB42_36 N_AB42_41 1 0.000000e+00 2.738960e-06 ; 3.064036e-01 -2.738960e-06 3.605872e-03 2.169177e-03 0.000485 0.000060 True native_MD 7 316 345 CG2_AB42_36 CA_AB42_41 1 3.025342e-03 1.701548e-05 ; 4.217078e-01 1.344760e-01 1.747099e-02 1.010662e-02 0.000485 0.001932 True native_MD 7 316 347 CG2_AB42_36 CB_AB42_41 1 2.516834e-03 1.069098e-05 ; 4.024332e-01 1.481261e-01 3.660258e-02 1.407322e-02 0.000485 0.001932 True native_MD 7 316 348 CG2_AB42_36 CG1_AB42_41 1 1.192498e-03 2.291628e-06 ; 3.525990e-01 1.551355e-01 3.951127e-02 1.486342e-02 0.000485 0.002332 True native_MD 7 316 349 CG2_AB42_36 CG2_AB42_41 1 1.063012e-03 1.686577e-06 ; 3.415162e-01 1.674982e-01 1.895504e-02 1.122523e-02 0.000485 0.005315 True native_MD 7 316 350 CG2_AB42_36 CD_AB42_41 1 1.210756e-03 2.071153e-06 ; 3.458273e-01 1.769461e-01 3.911177e-02 1.745766e-02 0.000485 0.005315 True native_MD 7 316 351 -CG2_AB42_36 C_AB42_41 1 0.000000e+00 4.728078e-06 ; 3.206654e-01 -4.728078e-06 2.139671e-03 2.554813e-03 0.000485 0.000060 True native_MD 7 316 352 +CG2_AB42_36 C_AB42_41 1 0.000000e+00 4.728016e-06 ; 3.206650e-01 -4.728016e-06 2.139671e-03 2.554813e-03 0.000485 0.000060 True native_MD 7 316 352 CG2_AB42_36 O_AB42_41 1 6.753767e-04 1.240504e-06 ; 3.499521e-01 9.192510e-02 1.880663e-03 2.394736e-03 0.000485 0.001191 True native_MD 7 316 353 -CG2_AB42_36 N_AB42_42 1 0.000000e+00 2.745087e-06 ; 3.064606e-01 -2.745087e-06 1.166013e-03 1.953944e-03 0.000485 0.000060 True native_MD 7 316 354 +CG2_AB42_36 N_AB42_42 1 0.000000e+00 2.745061e-06 ; 3.064604e-01 -2.745061e-06 1.166013e-03 1.953944e-03 0.000485 0.000060 True native_MD 7 316 354 CG2_AB42_36 CA_AB42_42 1 1.473279e-03 4.996200e-06 ; 3.876078e-01 1.086101e-01 6.500035e-03 8.154057e-03 0.000485 0.001932 True native_MD 7 316 356 CG2_AB42_36 CB_AB42_42 1 8.426578e-04 1.226328e-06 ; 3.366350e-01 1.447557e-01 7.134000e-03 8.344106e-03 0.000485 0.005315 True native_MD 7 316 357 -CG2_AB42_36 C_AB42_42 1 0.000000e+00 4.733112e-06 ; 3.206938e-01 -4.733112e-06 8.489260e-04 2.329187e-03 0.000485 0.000060 True native_MD 7 316 358 +CG2_AB42_36 C_AB42_42 1 0.000000e+00 4.733050e-06 ; 3.206934e-01 -4.733050e-06 8.489260e-04 2.329187e-03 0.000485 0.000060 True native_MD 7 316 358 CG2_AB42_36 O1_AB42_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 359 CG2_AB42_36 O2_AB42_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 360 - C_AB42_36 CA_AB42_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 321 - C_AB42_36 O_AB42_37 1 0.000000e+00 5.949886e-07 ; 2.697972e-01 -5.949886e-07 9.203670e-01 6.398709e-01 0.000485 0.000060 True native_MD 4 317 323 - C_AB42_36 N_AB42_38 1 0.000000e+00 1.474681e-06 ; 2.909957e-01 -1.474681e-06 9.783924e-01 9.562010e-01 0.000485 0.000060 True native_MD 4 317 324 - C_AB42_36 CA_AB42_38 1 0.000000e+00 7.635812e-06 ; 3.337333e-01 -7.635812e-06 5.159971e-01 7.215321e-01 0.000485 0.000060 True native_MD 5 317 326 - C_AB42_36 C_AB42_38 1 0.000000e+00 2.466565e-06 ; 3.037405e-01 -2.466565e-06 1.007210e-01 4.992209e-02 0.000485 0.000060 True native_MD 6 317 327 + C_AB42_36 CA_AB42_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 321 + C_AB42_36 O_AB42_37 1 0.000000e+00 5.949859e-07 ; 2.697971e-01 -5.949859e-07 9.203670e-01 6.398709e-01 0.000485 0.000060 True native_MD 4 317 323 + C_AB42_36 N_AB42_38 1 0.000000e+00 1.474660e-06 ; 2.909953e-01 -1.474660e-06 9.783924e-01 9.562010e-01 0.000485 0.000060 True native_MD 4 317 324 + C_AB42_36 CA_AB42_38 1 0.000000e+00 7.635684e-06 ; 3.337329e-01 -7.635684e-06 5.159971e-01 7.215321e-01 0.000485 0.000060 True native_MD 5 317 326 + C_AB42_36 C_AB42_38 1 0.000000e+00 2.466522e-06 ; 3.037401e-01 -2.466522e-06 1.007210e-01 4.992209e-02 0.000485 0.000060 True native_MD 6 317 327 C_AB42_36 O_AB42_38 1 1.141090e-03 2.463933e-06 ; 3.595159e-01 1.321147e-01 4.450237e-02 3.096844e-02 0.000485 0.002166 True native_MD 7 317 328 C_AB42_36 N_AB42_39 1 8.770915e-04 1.504603e-06 ; 3.459894e-01 1.278227e-01 1.112015e-01 8.798797e-02 0.000485 0.002166 True native_MD 7 317 329 C_AB42_36 CA_AB42_39 1 2.722177e-03 1.602487e-05 ; 4.249257e-01 1.156054e-01 1.146219e-01 8.080157e-02 0.000485 0.001339 True native_MD 7 317 331 - C_AB42_36 CB_AB42_39 1 0.000000e+00 1.281181e-05 ; 3.484410e-01 -1.281181e-05 1.247329e-01 1.063405e-01 0.000485 0.000060 True native_MD 7 317 332 - C_AB42_36 CG1_AB42_39 1 0.000000e+00 4.880061e-06 ; 3.215119e-01 -4.880061e-06 2.424658e-02 5.681990e-02 0.000485 0.000060 True native_MD 7 317 333 - C_AB42_36 CG2_AB42_39 1 0.000000e+00 4.792470e-06 ; 3.210270e-01 -4.792470e-06 1.096691e-01 1.237090e-01 0.000485 0.000060 True native_MD 7 317 334 + C_AB42_36 CB_AB42_39 1 0.000000e+00 1.281174e-05 ; 3.484408e-01 -1.281174e-05 1.247329e-01 1.063405e-01 0.000485 0.000060 True native_MD 7 317 332 + C_AB42_36 CG1_AB42_39 1 0.000000e+00 4.879997e-06 ; 3.215116e-01 -4.879997e-06 2.424658e-02 5.681990e-02 0.000485 0.000060 True native_MD 7 317 333 + C_AB42_36 CG2_AB42_39 1 0.000000e+00 4.792407e-06 ; 3.210267e-01 -4.792407e-06 1.096691e-01 1.237090e-01 0.000485 0.000060 True native_MD 7 317 334 C_AB42_36 C_AB42_39 1 3.594019e-03 1.772782e-05 ; 4.125841e-01 1.821568e-01 3.354002e-02 5.220442e-03 0.000485 0.002166 True native_MD 7 317 335 C_AB42_36 O_AB42_39 1 7.691314e-04 1.023870e-06 ; 3.316709e-01 1.444429e-01 3.643602e-02 1.753238e-02 0.000485 0.002166 True native_MD 7 317 336 C_AB42_36 N_AB42_40 1 1.625252e-03 4.224225e-06 ; 3.707983e-01 1.563272e-01 6.424149e-03 1.269844e-03 0.000485 0.002166 True native_MD 7 317 337 C_AB42_36 CA_AB42_40 1 5.880176e-03 5.755690e-05 ; 4.625065e-01 1.501839e-01 1.976561e-02 4.950605e-03 0.000485 0.001339 True native_MD 7 317 339 - C_AB42_36 CB_AB42_40 1 0.000000e+00 1.279584e-05 ; 3.484048e-01 -1.279584e-05 3.187813e-02 1.226253e-02 0.000485 0.000060 True native_MD 7 317 340 - C_AB42_36 CG1_AB42_40 1 0.000000e+00 4.690625e-06 ; 3.204529e-01 -4.690625e-06 1.802412e-02 1.051474e-02 0.000485 0.000060 True native_MD 7 317 341 - C_AB42_36 CG2_AB42_40 1 0.000000e+00 4.660420e-06 ; 3.202804e-01 -4.660420e-06 3.424280e-02 2.034227e-02 0.000485 0.000060 True native_MD 7 317 342 + C_AB42_36 CB_AB42_40 1 0.000000e+00 1.279578e-05 ; 3.484046e-01 -1.279578e-05 3.187813e-02 1.226253e-02 0.000485 0.000060 True native_MD 7 317 340 + C_AB42_36 CG1_AB42_40 1 0.000000e+00 4.690564e-06 ; 3.204526e-01 -4.690564e-06 1.802412e-02 1.051474e-02 0.000485 0.000060 True native_MD 7 317 341 + C_AB42_36 CG2_AB42_40 1 0.000000e+00 4.660359e-06 ; 3.202801e-01 -4.660359e-06 3.424280e-02 2.034227e-02 0.000485 0.000060 True native_MD 7 317 342 C_AB42_36 C_AB42_40 1 3.872749e-03 2.111168e-05 ; 4.195180e-01 1.776053e-01 1.214396e-02 3.634914e-04 0.000485 0.002166 True native_MD 7 317 343 C_AB42_36 O_AB42_40 1 7.559209e-04 8.042776e-07 ; 3.195128e-01 1.776179e-01 1.492391e-02 2.660901e-03 0.000485 0.002166 True native_MD 7 317 344 C_AB42_36 CA_AB42_41 1 7.467306e-03 9.313657e-05 ; 4.815700e-01 1.496744e-01 5.264441e-03 1.304821e-03 0.000485 0.001339 True native_MD 7 317 347 - C_AB42_36 CB_AB42_41 1 0.000000e+00 1.302135e-05 ; 3.489123e-01 -1.302135e-05 3.642651e-03 1.304390e-03 0.000485 0.000060 True native_MD 7 317 348 - C_AB42_36 CG1_AB42_41 1 0.000000e+00 6.304526e-06 ; 3.284476e-01 -6.304526e-06 7.588609e-03 2.941458e-03 0.000485 0.000060 True native_MD 7 317 349 - C_AB42_36 CG2_AB42_41 1 0.000000e+00 4.716450e-06 ; 3.205996e-01 -4.716450e-06 4.599818e-03 2.554629e-03 0.000485 0.000060 True native_MD 7 317 350 - C_AB42_36 CD_AB42_41 1 0.000000e+00 4.713071e-06 ; 3.205804e-01 -4.713071e-06 8.794837e-03 6.034687e-03 0.000485 0.000060 True native_MD 7 317 351 + C_AB42_36 CB_AB42_41 1 0.000000e+00 1.302128e-05 ; 3.489122e-01 -1.302128e-05 3.642651e-03 1.304390e-03 0.000485 0.000060 True native_MD 7 317 348 + C_AB42_36 CG1_AB42_41 1 0.000000e+00 6.304420e-06 ; 3.284471e-01 -6.304420e-06 7.588609e-03 2.941458e-03 0.000485 0.000060 True native_MD 7 317 349 + C_AB42_36 CG2_AB42_41 1 0.000000e+00 4.716388e-06 ; 3.205992e-01 -4.716388e-06 4.599818e-03 2.554629e-03 0.000485 0.000060 True native_MD 7 317 350 + C_AB42_36 CD_AB42_41 1 0.000000e+00 4.713009e-06 ; 3.205801e-01 -4.713009e-06 8.794837e-03 6.034687e-03 0.000485 0.000060 True native_MD 7 317 351 C_AB42_36 C_AB42_41 1 2.344497e-03 1.181295e-05 ; 4.140487e-01 1.163271e-01 1.940652e-03 5.004996e-05 0.000485 0.002166 True native_MD 7 317 352 C_AB42_36 O_AB42_41 1 4.778449e-04 4.908518e-07 ; 3.176464e-01 1.162957e-01 1.938829e-03 2.664460e-04 0.000485 0.002166 True native_MD 7 317 353 C_AB42_36 N_AB42_42 1 1.326769e-03 4.879940e-06 ; 3.928890e-01 9.018119e-02 8.874387e-04 9.795357e-05 0.000485 0.002166 True native_MD 7 317 354 C_AB42_36 CA_AB42_42 1 4.016569e-03 2.724970e-05 ; 4.350953e-01 1.480092e-01 6.529015e-03 1.745256e-03 0.000485 0.001339 True native_MD 7 317 356 - C_AB42_36 CB_AB42_42 1 0.000000e+00 4.700362e-06 ; 3.205083e-01 -4.700362e-06 8.353076e-03 2.903910e-03 0.000485 0.000060 True native_MD 7 317 357 + C_AB42_36 CB_AB42_42 1 0.000000e+00 4.700301e-06 ; 3.205079e-01 -4.700301e-06 8.353076e-03 2.903910e-03 0.000485 0.000060 True native_MD 7 317 357 O_AB42_36 O_AB42_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 318 318 O_AB42_36 H_AB42_37 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 318 320 O_AB42_36 CA_AB42_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 318 321 - O_AB42_36 C_AB42_37 1 0.000000e+00 8.248008e-07 ; 2.772410e-01 -8.248008e-07 9.999504e-01 9.973601e-01 0.000485 0.000060 True native_MD 4 318 322 + O_AB42_36 C_AB42_37 1 0.000000e+00 8.247970e-07 ; 2.772409e-01 -8.247970e-07 9.999504e-01 9.973601e-01 0.000485 0.000060 True native_MD 4 318 322 O_AB42_36 O_AB42_37 1 0.000000e+00 1.104310e-06 ; 2.840660e-01 -1.104310e-06 9.577912e-01 6.939977e-01 0.000485 0.000060 True native_MD 5 318 323 O_AB42_36 N_AB42_38 1 0.000000e+00 1.401135e-06 ; 2.897577e-01 -1.401135e-06 9.285926e-01 8.626823e-01 0.000485 0.000060 True native_MD 5 318 324 - O_AB42_36 H_AB42_38 1 0.000000e+00 1.649765e-08 ; 2.001152e-01 -1.649765e-08 1.616401e-01 2.248935e-01 0.000485 0.000060 True native_MD 6 318 325 - O_AB42_36 CA_AB42_38 1 0.000000e+00 1.835236e-06 ; 2.963484e-01 -1.835236e-06 3.294925e-01 2.399830e-01 0.000485 0.000060 True native_MD 6 318 326 + O_AB42_36 H_AB42_38 1 0.000000e+00 1.649791e-08 ; 2.001155e-01 -1.649791e-08 1.616401e-01 2.248935e-01 0.000485 0.000060 True native_MD 6 318 325 + O_AB42_36 CA_AB42_38 1 0.000000e+00 1.835229e-06 ; 2.963484e-01 -1.835229e-06 3.294925e-01 2.399830e-01 0.000485 0.000060 True native_MD 6 318 326 O_AB42_36 C_AB42_38 1 1.565296e-03 3.828641e-06 ; 3.670636e-01 1.599883e-01 7.805881e-02 2.358813e-02 0.000485 0.002166 True native_MD 7 318 327 O_AB42_36 O_AB42_38 1 0.000000e+00 1.305611e-06 ; 2.880577e-01 -1.305611e-06 1.832275e-01 5.363507e-02 0.000485 0.000060 True native_MD 7 318 328 O_AB42_36 N_AB42_39 1 2.001539e-04 8.239912e-08 ; 2.727469e-01 1.215473e-01 1.389587e-01 1.326687e-01 0.000485 0.002166 True native_MD 7 318 329 @@ -50268,39 +50268,39 @@ CG2_AB42_36 O2_AB42_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465 O_AB42_36 CB_AB42_42 1 3.031844e-04 2.210741e-07 ; 3.000119e-01 1.039479e-01 3.456918e-03 3.071704e-03 0.000485 0.001191 True native_MD 7 318 357 O_AB42_36 O1_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 318 359 O_AB42_36 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 318 360 - N_AB42_37 CA_AB42_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 321 - N_AB42_37 CA_AB42_38 1 0.000000e+00 3.809709e-06 ; 3.149459e-01 -3.809709e-06 9.439638e-01 9.803143e-01 0.000485 0.000060 True native_MD 4 319 326 - N_AB42_37 C_AB42_38 1 0.000000e+00 1.546383e-06 ; 2.921492e-01 -1.546383e-06 5.854873e-02 8.390043e-02 0.000485 0.000060 True native_MD 5 319 327 + N_AB42_37 CA_AB42_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 321 + N_AB42_37 CA_AB42_38 1 0.000000e+00 3.809659e-06 ; 3.149456e-01 -3.809659e-06 9.439638e-01 9.803143e-01 0.000485 0.000060 True native_MD 4 319 326 + N_AB42_37 C_AB42_38 1 0.000000e+00 1.546361e-06 ; 2.921489e-01 -1.546361e-06 5.854873e-02 8.390043e-02 0.000485 0.000060 True native_MD 5 319 327 N_AB42_37 O_AB42_38 1 0.000000e+00 1.504989e-06 ; 2.914894e-01 -1.504989e-06 9.129548e-02 9.462117e-02 0.000485 0.000060 True native_MD 6 319 328 - N_AB42_37 N_AB42_39 1 0.000000e+00 9.260008e-07 ; 2.799277e-01 -9.260008e-07 7.195925e-02 1.298904e-01 0.000485 0.000060 True native_MD 6 319 329 + N_AB42_37 N_AB42_39 1 0.000000e+00 9.259911e-07 ; 2.799275e-01 -9.259911e-07 7.195925e-02 1.298904e-01 0.000485 0.000060 True native_MD 6 319 329 N_AB42_37 CA_AB42_39 1 3.647463e-03 3.744987e-05 ; 4.662046e-01 8.881195e-02 3.618914e-02 5.688031e-02 0.000485 0.001339 True native_MD 7 319 331 - N_AB42_37 CB_AB42_39 1 0.000000e+00 7.849468e-06 ; 3.345017e-01 -7.849468e-06 2.857203e-02 6.480619e-02 0.000485 0.000060 True native_MD 7 319 332 - N_AB42_37 CG1_AB42_39 1 0.000000e+00 2.838053e-06 ; 3.073124e-01 -2.838053e-06 5.914056e-03 4.059479e-02 0.000485 0.000060 True native_MD 7 319 333 - N_AB42_37 CG2_AB42_39 1 0.000000e+00 2.940464e-06 ; 3.082215e-01 -2.940464e-06 3.460206e-02 1.066192e-01 0.000485 0.000060 True native_MD 7 319 334 + N_AB42_37 CB_AB42_39 1 0.000000e+00 7.849456e-06 ; 3.345017e-01 -7.849456e-06 2.857203e-02 6.480619e-02 0.000485 0.000060 True native_MD 7 319 332 + N_AB42_37 CG1_AB42_39 1 0.000000e+00 2.838026e-06 ; 3.073121e-01 -2.838026e-06 5.914056e-03 4.059479e-02 0.000485 0.000060 True native_MD 7 319 333 + N_AB42_37 CG2_AB42_39 1 0.000000e+00 2.940436e-06 ; 3.082213e-01 -2.940436e-06 3.460206e-02 1.066192e-01 0.000485 0.000060 True native_MD 7 319 334 N_AB42_37 C_AB42_39 1 6.827537e-04 1.428393e-06 ; 3.576272e-01 8.158692e-02 6.861855e-04 1.833288e-03 0.000485 0.002166 True native_MD 7 319 335 N_AB42_37 O_AB42_39 1 2.061954e-04 1.141717e-07 ; 2.865585e-01 9.309784e-02 1.315407e-02 2.942331e-02 0.000485 0.002166 True native_MD 7 319 336 - N_AB42_37 N_AB42_40 1 0.000000e+00 8.738770e-07 ; 2.785795e-01 -8.738770e-07 2.091533e-03 4.726423e-04 0.000485 0.000060 True native_MD 7 319 337 + N_AB42_37 N_AB42_40 1 0.000000e+00 8.738678e-07 ; 2.785793e-01 -8.738678e-07 2.091533e-03 4.726423e-04 0.000485 0.000060 True native_MD 7 319 337 N_AB42_37 CA_AB42_40 1 4.051381e-03 2.697526e-05 ; 4.337376e-01 1.521180e-01 1.717815e-02 4.060618e-03 0.000485 0.001339 True native_MD 7 319 339 - N_AB42_37 CB_AB42_40 1 0.000000e+00 7.524055e-06 ; 3.333235e-01 -7.524055e-06 1.970904e-02 1.298429e-02 0.000485 0.000060 True native_MD 7 319 340 - N_AB42_37 CG1_AB42_40 1 0.000000e+00 2.751926e-06 ; 3.065242e-01 -2.751926e-06 6.279488e-03 9.560438e-03 0.000485 0.000060 True native_MD 7 319 341 - N_AB42_37 CG2_AB42_40 1 0.000000e+00 2.751039e-06 ; 3.065159e-01 -2.751039e-06 1.777969e-02 2.073739e-02 0.000485 0.000060 True native_MD 7 319 342 + N_AB42_37 CB_AB42_40 1 0.000000e+00 7.524043e-06 ; 3.333235e-01 -7.524043e-06 1.970904e-02 1.298429e-02 0.000485 0.000060 True native_MD 7 319 340 + N_AB42_37 CG1_AB42_40 1 0.000000e+00 2.751900e-06 ; 3.065239e-01 -2.751900e-06 6.279488e-03 9.560438e-03 0.000485 0.000060 True native_MD 7 319 341 + N_AB42_37 CG2_AB42_40 1 0.000000e+00 2.751013e-06 ; 3.065157e-01 -2.751013e-06 1.777969e-02 2.073739e-02 0.000485 0.000060 True native_MD 7 319 342 N_AB42_37 C_AB42_40 1 1.389957e-03 2.618557e-06 ; 3.514337e-01 1.844510e-01 1.490498e-02 1.155760e-03 0.000485 0.002166 True native_MD 7 319 343 N_AB42_37 O_AB42_40 1 1.200210e-04 2.526523e-08 ; 2.438996e-01 1.425381e-01 1.677128e-02 8.543554e-03 0.000485 0.002166 True native_MD 7 319 344 N_AB42_37 N_AB42_41 1 1.337831e-03 4.613544e-06 ; 3.886920e-01 9.698569e-02 1.087863e-03 4.996086e-05 0.000485 0.000060 True native_MD 7 319 345 N_AB42_37 CA_AB42_41 1 3.495402e-03 1.646494e-05 ; 4.094277e-01 1.855129e-01 1.538625e-02 1.074917e-03 0.000485 0.001339 True native_MD 7 319 347 - N_AB42_37 CB_AB42_41 1 0.000000e+00 7.562198e-06 ; 3.334640e-01 -7.562198e-06 3.278267e-03 1.588910e-03 0.000485 0.000060 True native_MD 7 319 348 - N_AB42_37 CG1_AB42_41 1 0.000000e+00 3.677412e-06 ; 3.140197e-01 -3.677412e-06 1.861318e-03 2.223127e-03 0.000485 0.000060 True native_MD 7 319 349 - N_AB42_37 CG2_AB42_41 1 0.000000e+00 2.741779e-06 ; 3.064298e-01 -2.741779e-06 2.526328e-03 2.108204e-03 0.000485 0.000060 True native_MD 7 319 350 - N_AB42_37 CD_AB42_41 1 0.000000e+00 2.741891e-06 ; 3.064309e-01 -2.741891e-06 4.910989e-03 4.533445e-03 0.000485 0.000060 True native_MD 7 319 351 + N_AB42_37 CB_AB42_41 1 0.000000e+00 7.562186e-06 ; 3.334640e-01 -7.562186e-06 3.278267e-03 1.588910e-03 0.000485 0.000060 True native_MD 7 319 348 + N_AB42_37 CG1_AB42_41 1 0.000000e+00 3.677363e-06 ; 3.140193e-01 -3.677363e-06 1.861318e-03 2.223127e-03 0.000485 0.000060 True native_MD 7 319 349 + N_AB42_37 CG2_AB42_41 1 0.000000e+00 2.741753e-06 ; 3.064296e-01 -2.741753e-06 2.526328e-03 2.108204e-03 0.000485 0.000060 True native_MD 7 319 350 + N_AB42_37 CD_AB42_41 1 0.000000e+00 2.741865e-06 ; 3.064306e-01 -2.741865e-06 4.910989e-03 4.533445e-03 0.000485 0.000060 True native_MD 7 319 351 N_AB42_37 C_AB42_41 1 1.144791e-03 2.155799e-06 ; 3.514097e-01 1.519792e-01 5.640347e-03 1.007743e-04 0.000485 0.002166 True native_MD 7 319 352 N_AB42_37 O_AB42_41 1 1.636189e-04 5.077755e-08 ; 2.601994e-01 1.318061e-01 3.084060e-03 6.549561e-04 0.000485 0.002166 True native_MD 7 319 353 N_AB42_37 N_AB42_42 1 8.771450e-04 1.335597e-06 ; 3.391830e-01 1.440148e-01 5.760498e-03 7.740114e-05 0.000485 0.000060 True native_MD 7 319 354 N_AB42_37 CA_AB42_42 1 2.125202e-03 6.819423e-06 ; 3.840531e-01 1.655742e-01 9.596860e-03 1.516559e-03 0.000485 0.001339 True native_MD 7 319 356 - N_AB42_37 CB_AB42_42 1 0.000000e+00 2.723529e-06 ; 3.062593e-01 -2.723529e-06 9.239026e-03 2.167292e-03 0.000485 0.000060 True native_MD 7 319 357 + N_AB42_37 CB_AB42_42 1 0.000000e+00 2.723503e-06 ; 3.062591e-01 -2.723503e-06 9.239026e-03 2.167292e-03 0.000485 0.000060 True native_MD 7 319 357 N_AB42_37 O1_AB42_42 1 8.834486e-05 2.481899e-08 ; 2.559178e-01 7.861737e-02 6.278375e-04 7.389866e-04 0.000485 0.002166 True native_MD 7 319 359 N_AB42_37 O2_AB42_42 1 8.834486e-05 2.481899e-08 ; 2.559178e-01 7.861737e-02 6.278375e-04 7.389866e-04 0.000485 0.002166 True native_MD 7 319 360 H_AB42_37 H_AB42_37 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 320 - H_AB42_37 O_AB42_37 1 0.000000e+00 1.584440e-08 ; 1.994426e-01 -1.584440e-08 1.692919e-01 1.904437e-01 0.000485 0.000060 True native_MD 4 320 323 + H_AB42_37 O_AB42_37 1 0.000000e+00 1.584465e-08 ; 1.994429e-01 -1.584465e-08 1.692919e-01 1.904437e-01 0.000485 0.000060 True native_MD 4 320 323 H_AB42_37 H_AB42_38 1 0.000000e+00 1.558253e-08 ; 1.991658e-01 -1.558253e-08 4.220490e-01 7.205932e-01 0.000485 0.000060 True native_MD 5 320 325 H_AB42_37 O_AB42_38 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 328 H_AB42_37 H_AB42_39 1 0.000000e+00 1.292809e-08 ; 1.960903e-01 -1.292809e-08 5.345239e-03 8.268633e-02 0.000485 0.000060 True native_MD 7 320 330 @@ -50312,18 +50312,18 @@ CG2_AB42_36 O2_AB42_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465 H_AB42_37 H_AB42_42 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 355 H_AB42_37 O1_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 359 H_AB42_37 O2_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 360 - CA_AB42_37 C_AB42_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 321 322 + CA_AB42_37 C_AB42_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 321 322 CA_AB42_37 O_AB42_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 321 323 - CA_AB42_37 N_AB42_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 321 324 - CA_AB42_37 C_AB42_38 1 0.000000e+00 6.333618e-06 ; 3.285736e-01 -6.333618e-06 1.000000e+00 9.999458e-01 0.000485 0.000060 True native_MD 4 321 327 - CA_AB42_37 O_AB42_38 1 0.000000e+00 1.110864e-06 ; 2.842061e-01 -1.110864e-06 6.374907e-01 1.886084e-01 0.000485 0.000060 True native_MD 5 321 328 - CA_AB42_37 N_AB42_39 1 0.000000e+00 5.211390e-06 ; 3.232767e-01 -5.211390e-06 3.293037e-01 7.469518e-01 0.000485 0.000060 True native_MD 5 321 329 - CA_AB42_37 CA_AB42_39 1 0.000000e+00 4.342939e-05 ; 3.857539e-01 -4.342939e-05 3.180877e-01 6.832058e-01 0.000485 0.000060 True native_MD 6 321 331 + CA_AB42_37 N_AB42_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 321 324 + CA_AB42_37 C_AB42_38 1 0.000000e+00 6.333511e-06 ; 3.285731e-01 -6.333511e-06 1.000000e+00 9.999458e-01 0.000485 0.000060 True native_MD 4 321 327 + CA_AB42_37 O_AB42_38 1 0.000000e+00 1.110860e-06 ; 2.842060e-01 -1.110860e-06 6.374907e-01 1.886084e-01 0.000485 0.000060 True native_MD 5 321 328 + CA_AB42_37 N_AB42_39 1 0.000000e+00 5.211322e-06 ; 3.232764e-01 -5.211322e-06 3.293037e-01 7.469518e-01 0.000485 0.000060 True native_MD 5 321 329 + CA_AB42_37 CA_AB42_39 1 0.000000e+00 4.342921e-05 ; 3.857538e-01 -4.342921e-05 3.180877e-01 6.832058e-01 0.000485 0.000060 True native_MD 6 321 331 CA_AB42_37 CB_AB42_39 1 4.098704e-03 5.752475e-05 ; 4.911355e-01 7.300935e-02 2.385916e-01 4.588683e-01 0.000485 0.001021 True native_MD 7 321 332 CA_AB42_37 CG1_AB42_39 1 1.795389e-03 1.033657e-05 ; 4.233533e-01 7.796165e-02 4.436970e-02 1.680686e-01 0.000485 0.002332 True native_MD 7 321 333 CA_AB42_37 CG2_AB42_39 1 2.018650e-03 1.000008e-05 ; 4.128799e-01 1.018729e-01 1.892941e-01 3.505668e-01 0.000485 0.002332 True native_MD 7 321 334 CA_AB42_37 C_AB42_39 1 2.370182e-03 1.825837e-05 ; 4.444061e-01 7.692041e-02 1.259763e-02 3.343619e-02 0.000485 0.001584 True native_MD 7 321 335 - CA_AB42_37 O_AB42_39 1 0.000000e+00 2.108446e-06 ; 2.997956e-01 -2.108446e-06 1.480522e-02 6.083974e-02 0.000485 0.001584 True native_MD 7 321 336 + CA_AB42_37 O_AB42_39 1 0.000000e+00 2.108438e-06 ; 2.997955e-01 -2.108438e-06 1.480522e-02 6.083974e-02 0.000485 0.001584 True native_MD 7 321 336 CA_AB42_37 N_AB42_40 1 1.956902e-03 9.803512e-06 ; 4.136523e-01 9.765545e-02 2.144958e-02 3.061020e-02 0.000485 0.001584 True native_MD 7 321 337 CA_AB42_37 CA_AB42_40 1 4.653249e-03 6.134734e-05 ; 4.860414e-01 8.823824e-02 5.110325e-02 6.230984e-02 0.000485 0.001021 True native_MD 7 321 339 CA_AB42_37 CB_AB42_40 1 2.186030e-03 1.539746e-05 ; 4.378233e-01 7.758952e-02 4.932857e-02 8.271885e-02 0.000485 0.001021 True native_MD 7 321 340 @@ -50345,41 +50345,41 @@ CG2_AB42_36 O2_AB42_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465 CA_AB42_37 C_AB42_42 1 1.714287e-03 7.176466e-06 ; 4.014559e-01 1.023756e-01 1.278279e-03 1.498006e-03 0.000485 0.001584 True native_MD 7 321 358 CA_AB42_37 O1_AB42_42 1 4.070184e-04 4.981107e-07 ; 3.270534e-01 8.314618e-02 7.189632e-04 9.535865e-04 0.000485 0.001584 True native_MD 7 321 359 CA_AB42_37 O2_AB42_42 1 4.070184e-04 4.981107e-07 ; 3.270534e-01 8.314618e-02 7.189632e-04 9.535865e-04 0.000485 0.001584 True native_MD 7 321 360 - C_AB42_37 CA_AB42_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 326 - C_AB42_37 O_AB42_38 1 0.000000e+00 6.208957e-07 ; 2.707571e-01 -6.208957e-07 9.493142e-01 7.001469e-01 0.000485 0.000060 True native_MD 4 322 328 - C_AB42_37 N_AB42_39 1 0.000000e+00 1.497389e-06 ; 2.913665e-01 -1.497389e-06 9.701878e-01 9.630535e-01 0.000485 0.000060 True native_MD 4 322 329 - C_AB42_37 CA_AB42_39 1 0.000000e+00 1.432699e-05 ; 3.517018e-01 -1.432699e-05 7.599336e-01 8.576304e-01 0.000485 0.000060 True native_MD 5 322 331 - C_AB42_37 CB_AB42_39 1 0.000000e+00 1.673445e-05 ; 3.562837e-01 -1.673445e-05 2.827048e-01 5.648548e-01 0.000485 0.000060 True native_MD 6 322 332 - C_AB42_37 CG1_AB42_39 1 0.000000e+00 5.332722e-06 ; 3.238974e-01 -5.332722e-06 5.712434e-02 1.854764e-01 0.000485 0.000060 True native_MD 7 322 333 - C_AB42_37 CG2_AB42_39 1 0.000000e+00 5.374561e-06 ; 3.241084e-01 -5.374561e-06 2.103810e-01 3.475858e-01 0.000485 0.000060 True native_MD 7 322 334 - C_AB42_37 C_AB42_39 1 0.000000e+00 2.741710e-06 ; 3.064292e-01 -2.741710e-06 6.443736e-02 1.195214e-01 0.000485 0.000060 True native_MD 6 322 335 + C_AB42_37 CA_AB42_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 326 + C_AB42_37 O_AB42_38 1 0.000000e+00 6.208929e-07 ; 2.707570e-01 -6.208929e-07 9.493142e-01 7.001469e-01 0.000485 0.000060 True native_MD 4 322 328 + C_AB42_37 N_AB42_39 1 0.000000e+00 1.497368e-06 ; 2.913661e-01 -1.497368e-06 9.701878e-01 9.630535e-01 0.000485 0.000060 True native_MD 4 322 329 + C_AB42_37 CA_AB42_39 1 0.000000e+00 1.432692e-05 ; 3.517016e-01 -1.432692e-05 7.599336e-01 8.576304e-01 0.000485 0.000060 True native_MD 5 322 331 + C_AB42_37 CB_AB42_39 1 0.000000e+00 1.673436e-05 ; 3.562835e-01 -1.673436e-05 2.827048e-01 5.648548e-01 0.000485 0.000060 True native_MD 6 322 332 + C_AB42_37 CG1_AB42_39 1 0.000000e+00 5.332653e-06 ; 3.238970e-01 -5.332653e-06 5.712434e-02 1.854764e-01 0.000485 0.000060 True native_MD 7 322 333 + C_AB42_37 CG2_AB42_39 1 0.000000e+00 5.374491e-06 ; 3.241080e-01 -5.374491e-06 2.103810e-01 3.475858e-01 0.000485 0.000060 True native_MD 7 322 334 + C_AB42_37 C_AB42_39 1 0.000000e+00 2.741661e-06 ; 3.064287e-01 -2.741661e-06 6.443736e-02 1.195214e-01 0.000485 0.000060 True native_MD 6 322 335 C_AB42_37 O_AB42_39 1 4.924472e-04 7.711982e-07 ; 3.407750e-01 7.861282e-02 2.753583e-02 9.501238e-02 0.000485 0.002166 True native_MD 7 322 336 C_AB42_37 N_AB42_40 1 7.785399e-04 1.515300e-06 ; 3.533482e-01 1.000007e-01 4.060751e-02 7.387738e-02 0.000485 0.002166 True native_MD 7 322 337 C_AB42_37 CA_AB42_40 1 2.529813e-03 1.772471e-05 ; 4.374366e-01 9.026878e-02 5.100683e-02 7.674899e-02 0.000485 0.001339 True native_MD 7 322 339 - C_AB42_37 CB_AB42_40 1 0.000000e+00 1.339351e-05 ; 3.497327e-01 -1.339351e-05 5.099020e-02 7.716581e-02 0.000485 0.000060 True native_MD 7 322 340 - C_AB42_37 CG1_AB42_40 1 0.000000e+00 4.788254e-06 ; 3.210035e-01 -4.788254e-06 2.405193e-02 3.719974e-02 0.000485 0.000060 True native_MD 7 322 341 - C_AB42_37 CG2_AB42_40 1 0.000000e+00 4.804550e-06 ; 3.210944e-01 -4.804550e-06 5.954821e-02 7.614421e-02 0.000485 0.000060 True native_MD 7 322 342 + C_AB42_37 CB_AB42_40 1 0.000000e+00 1.339344e-05 ; 3.497325e-01 -1.339344e-05 5.099020e-02 7.716581e-02 0.000485 0.000060 True native_MD 7 322 340 + C_AB42_37 CG1_AB42_40 1 0.000000e+00 4.788191e-06 ; 3.210031e-01 -4.788191e-06 2.405193e-02 3.719974e-02 0.000485 0.000060 True native_MD 7 322 341 + C_AB42_37 CG2_AB42_40 1 0.000000e+00 4.804488e-06 ; 3.210940e-01 -4.804488e-06 5.954821e-02 7.614421e-02 0.000485 0.000060 True native_MD 7 322 342 C_AB42_37 C_AB42_40 1 2.126254e-03 9.448143e-06 ; 4.054667e-01 1.196256e-01 1.105266e-02 1.117657e-02 0.000485 0.002166 True native_MD 7 322 343 C_AB42_37 O_AB42_40 1 4.781181e-04 5.194695e-07 ; 3.206300e-01 1.100146e-01 1.828273e-02 2.464931e-02 0.000485 0.002166 True native_MD 7 322 344 C_AB42_37 N_AB42_41 1 1.560026e-03 4.021955e-06 ; 3.702976e-01 1.512747e-01 8.606483e-03 3.375513e-03 0.000485 0.002166 True native_MD 7 322 345 C_AB42_37 CA_AB42_41 1 3.050201e-03 1.946342e-05 ; 4.306738e-01 1.195027e-01 1.716636e-02 1.076909e-02 0.000485 0.001339 True native_MD 7 322 347 - C_AB42_37 CB_AB42_41 1 0.000000e+00 1.301484e-05 ; 3.488978e-01 -1.301484e-05 1.855082e-02 1.571436e-02 0.000485 0.000060 True native_MD 7 322 348 - C_AB42_37 CG1_AB42_41 1 0.000000e+00 6.329238e-06 ; 3.285547e-01 -6.329238e-06 2.002108e-02 1.927547e-02 0.000485 0.000060 True native_MD 7 322 349 - C_AB42_37 CG2_AB42_41 1 0.000000e+00 4.715077e-06 ; 3.205918e-01 -4.715077e-06 1.072355e-02 8.387957e-03 0.000485 0.000060 True native_MD 7 322 350 - C_AB42_37 CD_AB42_41 1 0.000000e+00 4.723694e-06 ; 3.206406e-01 -4.723694e-06 1.665354e-02 1.614118e-02 0.000485 0.000060 True native_MD 7 322 351 + C_AB42_37 CB_AB42_41 1 0.000000e+00 1.301478e-05 ; 3.488977e-01 -1.301478e-05 1.855082e-02 1.571436e-02 0.000485 0.000060 True native_MD 7 322 348 + C_AB42_37 CG1_AB42_41 1 0.000000e+00 6.329132e-06 ; 3.285542e-01 -6.329132e-06 2.002108e-02 1.927547e-02 0.000485 0.000060 True native_MD 7 322 349 + C_AB42_37 CG2_AB42_41 1 0.000000e+00 4.715016e-06 ; 3.205914e-01 -4.715016e-06 1.072355e-02 8.387957e-03 0.000485 0.000060 True native_MD 7 322 350 + C_AB42_37 CD_AB42_41 1 0.000000e+00 4.723632e-06 ; 3.206402e-01 -4.723632e-06 1.665354e-02 1.614118e-02 0.000485 0.000060 True native_MD 7 322 351 C_AB42_37 C_AB42_41 1 1.222664e-03 2.926058e-06 ; 3.657317e-01 1.277236e-01 2.729381e-03 7.826860e-04 0.000485 0.002166 True native_MD 7 322 352 C_AB42_37 O_AB42_41 1 4.401767e-04 3.677228e-07 ; 3.068897e-01 1.317266e-01 3.076736e-03 2.011074e-03 0.000485 0.002166 True native_MD 7 322 353 C_AB42_37 N_AB42_42 1 5.122444e-04 6.198603e-07 ; 3.264395e-01 1.058280e-01 1.417408e-03 4.810378e-04 0.000485 0.002166 True native_MD 7 322 354 C_AB42_37 CA_AB42_42 1 1.623792e-03 5.488421e-06 ; 3.873939e-01 1.201029e-01 4.470409e-03 2.754529e-03 0.000485 0.001339 True native_MD 7 322 356 - C_AB42_37 CB_AB42_42 1 0.000000e+00 4.723421e-06 ; 3.206390e-01 -4.723421e-06 4.514147e-03 3.943889e-03 0.000485 0.000060 True native_MD 7 322 357 + C_AB42_37 CB_AB42_42 1 0.000000e+00 4.723359e-06 ; 3.206387e-01 -4.723359e-06 4.514147e-03 3.943889e-03 0.000485 0.000060 True native_MD 7 322 357 O_AB42_37 O_AB42_37 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 323 323 O_AB42_37 H_AB42_38 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 323 325 O_AB42_37 CA_AB42_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 323 326 - O_AB42_37 C_AB42_38 1 0.000000e+00 8.258895e-07 ; 2.772715e-01 -8.258895e-07 9.999795e-01 9.987057e-01 0.000485 0.000060 True native_MD 4 323 327 + O_AB42_37 C_AB42_38 1 0.000000e+00 8.258857e-07 ; 2.772713e-01 -8.258857e-07 9.999795e-01 9.987057e-01 0.000485 0.000060 True native_MD 4 323 327 O_AB42_37 O_AB42_38 1 0.000000e+00 1.161083e-06 ; 2.852552e-01 -1.161083e-06 9.773093e-01 7.513643e-01 0.000485 0.000060 True native_MD 5 323 328 O_AB42_37 N_AB42_39 1 0.000000e+00 1.481496e-06 ; 2.911075e-01 -1.481496e-06 8.965209e-01 8.841846e-01 0.000485 0.000060 True native_MD 5 323 329 - O_AB42_37 H_AB42_39 1 0.000000e+00 1.707435e-08 ; 2.006891e-01 -1.707435e-08 1.281648e-01 2.285857e-01 0.000485 0.000060 True native_MD 6 323 330 - O_AB42_37 CA_AB42_39 1 0.000000e+00 4.255693e-06 ; 3.178649e-01 -4.255693e-06 4.483183e-01 4.729236e-01 0.000485 0.000060 True native_MD 6 323 331 + O_AB42_37 H_AB42_39 1 0.000000e+00 1.707462e-08 ; 2.006893e-01 -1.707462e-08 1.281648e-01 2.285857e-01 0.000485 0.000060 True native_MD 6 323 330 + O_AB42_37 CA_AB42_39 1 0.000000e+00 4.255726e-06 ; 3.178651e-01 -4.255726e-06 4.483183e-01 4.729236e-01 0.000485 0.000060 True native_MD 6 323 331 O_AB42_37 CB_AB42_39 1 1.820281e-03 8.344455e-06 ; 4.075773e-01 9.927016e-02 1.748478e-01 1.787090e-01 0.000485 0.001191 True native_MD 7 323 332 O_AB42_37 CG1_AB42_39 1 4.563589e-04 6.500540e-07 ; 3.354341e-01 8.009466e-02 4.839101e-02 8.779457e-02 0.000485 0.001191 True native_MD 7 323 333 O_AB42_37 CG2_AB42_39 1 5.637577e-04 7.282817e-07 ; 3.300156e-01 1.091002e-01 1.719290e-01 1.309413e-01 0.000485 0.001191 True native_MD 7 323 334 @@ -50408,33 +50408,33 @@ CG2_AB42_36 O2_AB42_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465 O_AB42_37 CB_AB42_42 1 3.071669e-04 2.524956e-07 ; 3.060647e-01 9.341896e-02 2.811009e-03 3.422896e-03 0.000485 0.001191 True native_MD 7 323 357 O_AB42_37 O1_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 323 359 O_AB42_37 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 323 360 - N_AB42_38 CA_AB42_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 326 - N_AB42_38 CA_AB42_39 1 0.000000e+00 7.574721e-06 ; 3.335100e-01 -7.574721e-06 1.000000e+00 9.999638e-01 0.000485 0.000060 True native_MD 4 324 331 - N_AB42_38 CB_AB42_39 1 0.000000e+00 1.078711e-05 ; 3.434818e-01 -1.078711e-05 3.364423e-01 7.604847e-01 0.000485 0.000060 True native_MD 5 324 332 - N_AB42_38 CG1_AB42_39 1 0.000000e+00 3.199893e-06 ; 3.104009e-01 -3.199893e-06 5.403810e-02 2.206364e-01 0.000485 0.000060 True native_MD 6 324 333 - N_AB42_38 CG2_AB42_39 1 0.000000e+00 3.360365e-06 ; 3.116692e-01 -3.360365e-06 2.177717e-01 4.428738e-01 0.000485 0.000060 True native_MD 6 324 334 - N_AB42_38 C_AB42_39 1 0.000000e+00 1.602723e-06 ; 2.930218e-01 -1.602723e-06 6.400665e-02 1.267153e-01 0.000485 0.000060 True native_MD 5 324 335 + N_AB42_38 CA_AB42_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 326 + N_AB42_38 CA_AB42_39 1 0.000000e+00 7.574709e-06 ; 3.335100e-01 -7.574709e-06 1.000000e+00 9.999638e-01 0.000485 0.000060 True native_MD 4 324 331 + N_AB42_38 CB_AB42_39 1 0.000000e+00 1.078710e-05 ; 3.434818e-01 -1.078710e-05 3.364423e-01 7.604847e-01 0.000485 0.000060 True native_MD 5 324 332 + N_AB42_38 CG1_AB42_39 1 0.000000e+00 3.199863e-06 ; 3.104006e-01 -3.199863e-06 5.403810e-02 2.206364e-01 0.000485 0.000060 True native_MD 6 324 333 + N_AB42_38 CG2_AB42_39 1 0.000000e+00 3.360333e-06 ; 3.116689e-01 -3.360333e-06 2.177717e-01 4.428738e-01 0.000485 0.000060 True native_MD 6 324 334 + N_AB42_38 C_AB42_39 1 0.000000e+00 1.602700e-06 ; 2.930214e-01 -1.602700e-06 6.400665e-02 1.267153e-01 0.000485 0.000060 True native_MD 5 324 335 N_AB42_38 O_AB42_39 1 0.000000e+00 1.713345e-06 ; 2.946561e-01 -1.713345e-06 7.795205e-02 2.201822e-01 0.000485 0.000060 True native_MD 6 324 336 - N_AB42_38 N_AB42_40 1 0.000000e+00 8.943867e-07 ; 2.791186e-01 -8.943867e-07 3.227992e-02 5.409280e-02 0.000485 0.000060 True native_MD 6 324 337 + N_AB42_38 N_AB42_40 1 0.000000e+00 8.943773e-07 ; 2.791184e-01 -8.943773e-07 3.227992e-02 5.409280e-02 0.000485 0.000060 True native_MD 6 324 337 N_AB42_38 CA_AB42_40 1 3.694801e-03 3.276563e-05 ; 4.549579e-01 1.041607e-01 2.347355e-02 2.330668e-02 0.000485 0.001339 True native_MD 7 324 339 - N_AB42_38 CB_AB42_40 1 0.000000e+00 7.646397e-06 ; 3.337719e-01 -7.646397e-06 1.114200e-02 2.056807e-02 0.000485 0.000060 True native_MD 7 324 340 - N_AB42_38 CG1_AB42_40 1 0.000000e+00 2.763426e-06 ; 3.066307e-01 -2.763426e-06 6.308331e-03 1.378203e-02 0.000485 0.000060 True native_MD 7 324 341 - N_AB42_38 CG2_AB42_40 1 0.000000e+00 2.791529e-06 ; 3.068894e-01 -2.791529e-06 1.691946e-02 3.463865e-02 0.000485 0.000060 True native_MD 7 324 342 + N_AB42_38 CB_AB42_40 1 0.000000e+00 7.646385e-06 ; 3.337718e-01 -7.646385e-06 1.114200e-02 2.056807e-02 0.000485 0.000060 True native_MD 7 324 340 + N_AB42_38 CG1_AB42_40 1 0.000000e+00 2.763400e-06 ; 3.066305e-01 -2.763400e-06 6.308331e-03 1.378203e-02 0.000485 0.000060 True native_MD 7 324 341 + N_AB42_38 CG2_AB42_40 1 0.000000e+00 2.791502e-06 ; 3.068891e-01 -2.791502e-06 1.691946e-02 3.463865e-02 0.000485 0.000060 True native_MD 7 324 342 N_AB42_38 C_AB42_40 1 2.120635e-03 6.837606e-06 ; 3.843613e-01 1.644250e-01 8.185791e-03 1.680075e-03 0.000485 0.002166 True native_MD 7 324 343 N_AB42_38 O_AB42_40 1 2.228114e-04 1.085332e-07 ; 2.805030e-01 1.143542e-01 1.986055e-02 2.351585e-02 0.000485 0.002166 True native_MD 7 324 344 - N_AB42_38 N_AB42_41 1 0.000000e+00 8.750718e-07 ; 2.786112e-01 -8.750718e-07 5.881928e-04 3.342911e-04 0.000485 0.000060 True native_MD 7 324 345 + N_AB42_38 N_AB42_41 1 0.000000e+00 8.750626e-07 ; 2.786110e-01 -8.750626e-07 5.881928e-04 3.342911e-04 0.000485 0.000060 True native_MD 7 324 345 N_AB42_38 CA_AB42_41 1 4.107701e-03 3.021636e-05 ; 4.410020e-01 1.396032e-01 6.562534e-03 2.255993e-03 0.000485 0.001339 True native_MD 7 324 347 - N_AB42_38 CB_AB42_41 1 0.000000e+00 7.579473e-06 ; 3.335275e-01 -7.579473e-06 6.938253e-03 7.529462e-03 0.000485 0.000060 True native_MD 7 324 348 - N_AB42_38 CG1_AB42_41 1 0.000000e+00 3.672169e-06 ; 3.139823e-01 -3.672169e-06 1.414331e-02 1.307886e-02 0.000485 0.000060 True native_MD 7 324 349 - N_AB42_38 CG2_AB42_41 1 0.000000e+00 2.746008e-06 ; 3.064692e-01 -2.746008e-06 4.555894e-03 5.679535e-03 0.000485 0.000060 True native_MD 7 324 350 - N_AB42_38 CD_AB42_41 1 0.000000e+00 2.743326e-06 ; 3.064442e-01 -2.743326e-06 1.023812e-02 1.038380e-02 0.000485 0.000060 True native_MD 7 324 351 + N_AB42_38 CB_AB42_41 1 0.000000e+00 7.579461e-06 ; 3.335274e-01 -7.579461e-06 6.938253e-03 7.529462e-03 0.000485 0.000060 True native_MD 7 324 348 + N_AB42_38 CG1_AB42_41 1 0.000000e+00 3.672120e-06 ; 3.139820e-01 -3.672120e-06 1.414331e-02 1.307886e-02 0.000485 0.000060 True native_MD 7 324 349 + N_AB42_38 CG2_AB42_41 1 0.000000e+00 2.745982e-06 ; 3.064689e-01 -2.745982e-06 4.555894e-03 5.679535e-03 0.000485 0.000060 True native_MD 7 324 350 + N_AB42_38 CD_AB42_41 1 0.000000e+00 2.743300e-06 ; 3.064440e-01 -2.743300e-06 1.023812e-02 1.038380e-02 0.000485 0.000060 True native_MD 7 324 351 N_AB42_38 C_AB42_41 1 8.073306e-04 1.359790e-06 ; 3.449346e-01 1.198315e-01 2.155227e-03 7.790796e-04 0.000485 0.002166 True native_MD 7 324 352 N_AB42_38 O_AB42_41 1 1.399503e-04 4.213440e-08 ; 2.588871e-01 1.162120e-01 4.608046e-03 5.161091e-03 0.000485 0.002166 True native_MD 7 324 353 N_AB42_38 N_AB42_42 1 8.649437e-04 1.939164e-06 ; 3.617744e-01 9.644974e-02 1.070554e-03 4.822460e-05 0.000485 0.000060 True native_MD 7 324 354 N_AB42_38 CA_AB42_42 1 1.392493e-03 3.715579e-06 ; 3.724251e-01 1.304667e-01 2.962891e-03 1.321997e-03 0.000485 0.001339 True native_MD 7 324 356 - N_AB42_38 CB_AB42_42 1 0.000000e+00 2.739953e-06 ; 3.064128e-01 -2.739953e-06 2.441917e-03 1.358069e-03 0.000485 0.000060 True native_MD 7 324 357 + N_AB42_38 CB_AB42_42 1 0.000000e+00 2.739927e-06 ; 3.064126e-01 -2.739927e-06 2.441917e-03 1.358069e-03 0.000485 0.000060 True native_MD 7 324 357 H_AB42_38 H_AB42_38 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 325 - H_AB42_38 O_AB42_38 1 0.000000e+00 1.462950e-08 ; 1.981211e-01 -1.462950e-08 2.466426e-01 1.894958e-01 0.000485 0.000060 True native_MD 4 325 328 + H_AB42_38 O_AB42_38 1 0.000000e+00 1.462973e-08 ; 1.981214e-01 -1.462973e-08 2.466426e-01 1.894958e-01 0.000485 0.000060 True native_MD 4 325 328 H_AB42_38 H_AB42_39 1 0.000000e+00 1.661240e-08 ; 2.002309e-01 -1.661240e-08 3.326639e-01 7.170304e-01 0.000485 0.000060 True native_MD 5 325 330 H_AB42_38 O_AB42_39 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 336 H_AB42_38 H_AB42_40 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 338 @@ -50444,17 +50444,17 @@ CG2_AB42_36 O2_AB42_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465 H_AB42_38 H_AB42_42 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 355 H_AB42_38 O1_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 359 H_AB42_38 O2_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 360 - CA_AB42_38 C_AB42_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 326 327 + CA_AB42_38 C_AB42_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 326 327 CA_AB42_38 O_AB42_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 326 328 - CA_AB42_38 N_AB42_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 326 329 - CA_AB42_38 CB_AB42_39 1 0.000000e+00 3.181360e-05 ; 3.758773e-01 -3.181360e-05 1.000000e+00 9.999983e-01 0.000485 0.000060 True native_MD 4 326 332 - CA_AB42_38 CG1_AB42_39 1 0.000000e+00 1.386978e-05 ; 3.507525e-01 -1.386978e-05 4.000228e-01 6.040170e-01 0.000485 0.000060 True native_MD 5 326 333 - CA_AB42_38 CG2_AB42_39 1 0.000000e+00 1.074797e-05 ; 3.433778e-01 -1.074797e-05 8.797010e-01 8.126996e-01 0.000485 0.000060 True native_MD 5 326 334 - CA_AB42_38 C_AB42_39 1 0.000000e+00 6.333732e-06 ; 3.285741e-01 -6.333732e-06 1.000000e+00 9.999638e-01 0.000485 0.000060 True native_MD 4 326 335 - CA_AB42_38 O_AB42_39 1 0.000000e+00 1.681746e-06 ; 2.941993e-01 -1.681746e-06 5.851541e-01 4.194959e-01 0.000485 0.000060 True native_MD 5 326 336 - CA_AB42_38 N_AB42_40 1 0.000000e+00 4.277351e-06 ; 3.179994e-01 -4.277351e-06 1.976231e-01 3.611856e-01 0.000485 0.000060 True native_MD 5 326 337 - CA_AB42_38 CA_AB42_40 1 0.000000e+00 3.583763e-05 ; 3.796266e-01 -3.583763e-05 1.960888e-01 3.225745e-01 0.000485 0.000060 True native_MD 6 326 339 - CA_AB42_38 CB_AB42_40 1 0.000000e+00 3.437667e-05 ; 3.783122e-01 -3.437667e-05 6.989942e-02 1.504628e-01 0.000485 0.001021 True native_MD 7 326 340 + CA_AB42_38 N_AB42_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 326 329 + CA_AB42_38 CB_AB42_39 1 0.000000e+00 3.181346e-05 ; 3.758771e-01 -3.181346e-05 1.000000e+00 9.999983e-01 0.000485 0.000060 True native_MD 4 326 332 + CA_AB42_38 CG1_AB42_39 1 0.000000e+00 1.386962e-05 ; 3.507522e-01 -1.386962e-05 4.000228e-01 6.040170e-01 0.000485 0.000060 True native_MD 5 326 333 + CA_AB42_38 CG2_AB42_39 1 0.000000e+00 1.074784e-05 ; 3.433774e-01 -1.074784e-05 8.797010e-01 8.126996e-01 0.000485 0.000060 True native_MD 5 326 334 + CA_AB42_38 C_AB42_39 1 0.000000e+00 6.333625e-06 ; 3.285736e-01 -6.333625e-06 1.000000e+00 9.999638e-01 0.000485 0.000060 True native_MD 4 326 335 + CA_AB42_38 O_AB42_39 1 0.000000e+00 1.681740e-06 ; 2.941993e-01 -1.681740e-06 5.851541e-01 4.194959e-01 0.000485 0.000060 True native_MD 5 326 336 + CA_AB42_38 N_AB42_40 1 0.000000e+00 4.277294e-06 ; 3.179990e-01 -4.277294e-06 1.976231e-01 3.611856e-01 0.000485 0.000060 True native_MD 5 326 337 + CA_AB42_38 CA_AB42_40 1 0.000000e+00 3.583747e-05 ; 3.796264e-01 -3.583747e-05 1.960888e-01 3.225745e-01 0.000485 0.000060 True native_MD 6 326 339 + CA_AB42_38 CB_AB42_40 1 0.000000e+00 3.437652e-05 ; 3.783120e-01 -3.437652e-05 6.989942e-02 1.504628e-01 0.000485 0.001021 True native_MD 7 326 340 CA_AB42_38 CG1_AB42_40 1 3.087383e-03 2.241818e-05 ; 4.400496e-01 1.062969e-01 3.925248e-02 6.368005e-02 0.000485 0.002332 True native_MD 7 326 341 CA_AB42_38 CG2_AB42_40 1 2.909274e-03 1.928762e-05 ; 4.334267e-01 1.097061e-01 8.333491e-02 1.220829e-01 0.000485 0.002332 True native_MD 7 326 342 CA_AB42_38 C_AB42_40 1 2.944261e-03 2.306726e-05 ; 4.456596e-01 9.394999e-02 2.027239e-02 3.232252e-02 0.000485 0.001584 True native_MD 7 326 343 @@ -50471,40 +50471,40 @@ CG2_AB42_36 O2_AB42_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465 CA_AB42_38 CA_AB42_42 1 1.139942e-03 4.569039e-06 ; 3.985569e-01 7.110184e-02 6.046192e-03 1.231136e-02 0.000485 0.001021 True native_MD 7 326 356 CA_AB42_38 CB_AB42_42 1 1.325846e-03 4.269307e-06 ; 3.842767e-01 1.029364e-01 5.425638e-03 9.733359e-03 0.000485 0.002332 True native_MD 7 326 357 CA_AB42_38 C_AB42_42 1 2.474374e-03 2.171234e-05 ; 4.541579e-01 7.049596e-02 5.076258e-04 1.632932e-03 0.000485 0.001584 True native_MD 7 326 358 - CA_AB42_38 O1_AB42_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 326 359 - CA_AB42_38 O2_AB42_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 326 360 - C_AB42_38 CB_AB42_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 332 - C_AB42_38 CG1_AB42_39 1 0.000000e+00 4.695431e-06 ; 3.204803e-01 -4.695431e-06 9.967970e-01 9.903044e-01 0.000485 0.000060 True native_MD 4 327 333 - C_AB42_38 CG2_AB42_39 1 0.000000e+00 4.716673e-06 ; 3.206008e-01 -4.716673e-06 9.998253e-01 9.978273e-01 0.000485 0.000060 True native_MD 4 327 334 - C_AB42_38 O_AB42_39 1 0.000000e+00 7.598721e-07 ; 2.753531e-01 -7.598721e-07 9.882648e-01 9.071579e-01 0.000485 0.000060 True native_MD 4 327 336 - C_AB42_38 N_AB42_40 1 0.000000e+00 1.474265e-06 ; 2.909888e-01 -1.474265e-06 9.892485e-01 9.667813e-01 0.000485 0.000060 True native_MD 4 327 337 - C_AB42_38 CA_AB42_40 1 0.000000e+00 1.217371e-05 ; 3.469607e-01 -1.217371e-05 8.884049e-01 8.211228e-01 0.000485 0.000060 True native_MD 5 327 339 - C_AB42_38 CB_AB42_40 1 0.000000e+00 1.375134e-05 ; 3.505019e-01 -1.375134e-05 2.927309e-01 3.463228e-01 0.000485 0.000060 True native_MD 6 327 340 - C_AB42_38 CG1_AB42_40 1 0.000000e+00 4.914051e-06 ; 3.216980e-01 -4.914051e-06 8.671207e-02 1.264773e-01 0.000485 0.000060 True native_MD 7 327 341 - C_AB42_38 CG2_AB42_40 1 0.000000e+00 4.346626e-06 ; 3.184254e-01 -4.346626e-06 2.693906e-01 1.890943e-01 0.000485 0.000060 True native_MD 7 327 342 - C_AB42_38 C_AB42_40 1 0.000000e+00 2.745341e-06 ; 3.064630e-01 -2.745341e-06 5.901443e-02 1.154957e-01 0.000485 0.000060 True native_MD 6 327 343 + CA_AB42_38 O1_AB42_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 326 359 + CA_AB42_38 O2_AB42_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 326 360 + C_AB42_38 CB_AB42_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 332 + C_AB42_38 CG1_AB42_39 1 0.000000e+00 4.695370e-06 ; 3.204799e-01 -4.695370e-06 9.967970e-01 9.903044e-01 0.000485 0.000060 True native_MD 4 327 333 + C_AB42_38 CG2_AB42_39 1 0.000000e+00 4.716611e-06 ; 3.206005e-01 -4.716611e-06 9.998253e-01 9.978273e-01 0.000485 0.000060 True native_MD 4 327 334 + C_AB42_38 O_AB42_39 1 0.000000e+00 7.598686e-07 ; 2.753530e-01 -7.598686e-07 9.882648e-01 9.071579e-01 0.000485 0.000060 True native_MD 4 327 336 + C_AB42_38 N_AB42_40 1 0.000000e+00 1.474244e-06 ; 2.909885e-01 -1.474244e-06 9.892485e-01 9.667813e-01 0.000485 0.000060 True native_MD 4 327 337 + C_AB42_38 CA_AB42_40 1 0.000000e+00 1.217364e-05 ; 3.469605e-01 -1.217364e-05 8.884049e-01 8.211228e-01 0.000485 0.000060 True native_MD 5 327 339 + C_AB42_38 CB_AB42_40 1 0.000000e+00 1.375127e-05 ; 3.505018e-01 -1.375127e-05 2.927309e-01 3.463228e-01 0.000485 0.000060 True native_MD 6 327 340 + C_AB42_38 CG1_AB42_40 1 0.000000e+00 4.913987e-06 ; 3.216976e-01 -4.913987e-06 8.671207e-02 1.264773e-01 0.000485 0.000060 True native_MD 7 327 341 + C_AB42_38 CG2_AB42_40 1 0.000000e+00 4.346569e-06 ; 3.184250e-01 -4.346569e-06 2.693906e-01 1.890943e-01 0.000485 0.000060 True native_MD 7 327 342 + C_AB42_38 C_AB42_40 1 0.000000e+00 2.745292e-06 ; 3.064625e-01 -2.745292e-06 5.901443e-02 1.154957e-01 0.000485 0.000060 True native_MD 6 327 343 C_AB42_38 O_AB42_40 1 6.042206e-04 1.079393e-06 ; 3.483352e-01 8.455740e-02 3.090046e-02 8.924570e-02 0.000485 0.002166 True native_MD 7 327 344 C_AB42_38 N_AB42_41 1 8.428243e-04 1.686562e-06 ; 3.549857e-01 1.052960e-01 3.428511e-02 5.323417e-02 0.000485 0.002166 True native_MD 7 327 345 C_AB42_38 CA_AB42_41 1 2.514377e-03 1.741049e-05 ; 4.365796e-01 9.077996e-02 4.000849e-02 5.928610e-02 0.000485 0.001339 True native_MD 7 327 347 - C_AB42_38 CB_AB42_41 1 0.000000e+00 1.329391e-05 ; 3.495152e-01 -1.329391e-05 3.383603e-02 5.238076e-02 0.000485 0.000060 True native_MD 7 327 348 - C_AB42_38 CG1_AB42_41 1 0.000000e+00 6.450027e-06 ; 3.290727e-01 -6.450027e-06 3.375686e-02 5.208129e-02 0.000485 0.000060 True native_MD 7 327 349 - C_AB42_38 CG2_AB42_41 1 0.000000e+00 4.777864e-06 ; 3.209454e-01 -4.777864e-06 1.114746e-02 2.209697e-02 0.000485 0.000060 True native_MD 7 327 350 - C_AB42_38 CD_AB42_41 1 0.000000e+00 4.734738e-06 ; 3.207030e-01 -4.734738e-06 2.637963e-02 2.820412e-02 0.000485 0.000060 True native_MD 7 327 351 + C_AB42_38 CB_AB42_41 1 0.000000e+00 1.329384e-05 ; 3.495150e-01 -1.329384e-05 3.383603e-02 5.238076e-02 0.000485 0.000060 True native_MD 7 327 348 + C_AB42_38 CG1_AB42_41 1 0.000000e+00 6.449919e-06 ; 3.290722e-01 -6.449919e-06 3.375686e-02 5.208129e-02 0.000485 0.000060 True native_MD 7 327 349 + C_AB42_38 CG2_AB42_41 1 0.000000e+00 4.777802e-06 ; 3.209450e-01 -4.777802e-06 1.114746e-02 2.209697e-02 0.000485 0.000060 True native_MD 7 327 350 + C_AB42_38 CD_AB42_41 1 0.000000e+00 4.734677e-06 ; 3.207026e-01 -4.734677e-06 2.637963e-02 2.820412e-02 0.000485 0.000060 True native_MD 7 327 351 C_AB42_38 C_AB42_41 1 1.811356e-03 7.178552e-06 ; 3.978068e-01 1.142644e-01 9.514019e-03 1.129492e-02 0.000485 0.002166 True native_MD 7 327 352 C_AB42_38 O_AB42_41 1 4.484578e-04 5.027746e-07 ; 3.223111e-01 1.000023e-01 9.351968e-03 1.701349e-02 0.000485 0.002166 True native_MD 7 327 353 C_AB42_38 N_AB42_42 1 1.244456e-03 3.575276e-06 ; 3.770408e-01 1.082902e-01 5.364436e-03 7.615413e-03 0.000485 0.002166 True native_MD 7 327 354 C_AB42_38 CA_AB42_42 1 2.659875e-03 1.998628e-05 ; 4.425664e-01 8.849741e-02 9.033406e-03 1.433236e-02 0.000485 0.001339 True native_MD 7 327 356 - C_AB42_38 CB_AB42_42 1 0.000000e+00 4.742365e-06 ; 3.207460e-01 -4.742365e-06 8.904804e-03 1.234308e-02 0.000485 0.000060 True native_MD 7 327 357 + C_AB42_38 CB_AB42_42 1 0.000000e+00 4.742303e-06 ; 3.207457e-01 -4.742303e-06 8.904804e-03 1.234308e-02 0.000485 0.000060 True native_MD 7 327 357 O_AB42_38 O_AB42_38 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 328 328 O_AB42_38 H_AB42_39 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 328 330 - O_AB42_38 CB_AB42_39 1 0.000000e+00 4.153493e-06 ; 3.172216e-01 -4.153493e-06 1.000000e+00 9.999997e-01 0.000485 0.000060 True native_MD 4 328 332 + O_AB42_38 CB_AB42_39 1 0.000000e+00 4.153526e-06 ; 3.172218e-01 -4.153526e-06 1.000000e+00 9.999997e-01 0.000485 0.000060 True native_MD 4 328 332 O_AB42_38 CG1_AB42_39 1 0.000000e+00 1.700192e-06 ; 2.944669e-01 -1.700192e-06 2.977599e-01 4.282131e-01 0.000485 0.000060 True native_MD 5 328 333 O_AB42_38 CG2_AB42_39 1 0.000000e+00 1.274605e-06 ; 2.874813e-01 -1.274605e-06 5.689370e-01 4.164183e-01 0.000485 0.000060 True native_MD 5 328 334 - O_AB42_38 C_AB42_39 1 0.000000e+00 8.237914e-07 ; 2.772127e-01 -8.237914e-07 9.999759e-01 9.961649e-01 0.000485 0.000060 True native_MD 4 328 335 + O_AB42_38 C_AB42_39 1 0.000000e+00 8.237876e-07 ; 2.772126e-01 -8.237876e-07 9.999759e-01 9.961649e-01 0.000485 0.000060 True native_MD 4 328 335 O_AB42_38 O_AB42_39 1 0.000000e+00 1.330616e-06 ; 2.885134e-01 -1.330616e-06 9.274516e-01 8.145288e-01 0.000485 0.000060 True native_MD 5 328 336 O_AB42_38 N_AB42_40 1 0.000000e+00 1.420315e-06 ; 2.900862e-01 -1.420315e-06 9.420721e-01 8.889489e-01 0.000485 0.000060 True native_MD 5 328 337 - O_AB42_38 H_AB42_40 1 0.000000e+00 1.504405e-08 ; 1.985830e-01 -1.504405e-08 1.634556e-01 1.330261e-01 0.000485 0.000060 True native_MD 6 328 338 - O_AB42_38 CA_AB42_40 1 0.000000e+00 3.468578e-06 ; 3.124935e-01 -3.468578e-06 6.606805e-01 4.957793e-01 0.000485 0.000060 True native_MD 6 328 339 + O_AB42_38 H_AB42_40 1 0.000000e+00 1.504429e-08 ; 1.985833e-01 -1.504429e-08 1.634556e-01 1.330261e-01 0.000485 0.000060 True native_MD 6 328 338 + O_AB42_38 CA_AB42_40 1 0.000000e+00 3.468606e-06 ; 3.124937e-01 -3.468606e-06 6.606805e-01 4.957793e-01 0.000485 0.000060 True native_MD 6 328 339 O_AB42_38 CB_AB42_40 1 2.054105e-03 9.134887e-06 ; 4.055211e-01 1.154735e-01 3.366106e-01 2.118483e-01 0.000485 0.001191 True native_MD 7 328 340 O_AB42_38 CG1_AB42_40 1 5.083725e-04 6.868986e-07 ; 3.324950e-01 9.406140e-02 1.037374e-01 1.239131e-01 0.000485 0.001191 True native_MD 7 328 341 O_AB42_38 CG2_AB42_40 1 6.624789e-04 8.529892e-07 ; 3.298339e-01 1.286295e-01 3.566397e-01 1.514055e-01 0.000485 0.001191 True native_MD 7 328 342 @@ -50523,31 +50523,31 @@ CG2_AB42_36 O2_AB42_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465 O_AB42_38 H_AB42_42 1 8.714898e-06 1.459924e-10 ; 1.599600e-01 1.300572e-01 3.915585e-03 7.111920e-03 0.000485 0.005316 True native_MD 7 328 355 O_AB42_38 CA_AB42_42 1 6.011569e-04 1.081075e-06 ; 3.487209e-01 8.357182e-02 1.047027e-02 1.925087e-02 0.000485 0.001339 True native_MD 7 328 356 O_AB42_38 CB_AB42_42 1 2.041676e-04 1.233951e-07 ; 2.907715e-01 8.445310e-02 1.005730e-02 1.601545e-02 0.000485 0.001191 True native_MD 7 328 357 - O_AB42_38 C_AB42_42 1 0.000000e+00 8.288697e-07 ; 2.773547e-01 -8.288697e-07 5.004719e-04 2.830553e-03 0.000485 0.002166 True native_MD 7 328 358 + O_AB42_38 C_AB42_42 1 0.000000e+00 8.288659e-07 ; 2.773546e-01 -8.288659e-07 5.004719e-04 2.830553e-03 0.000485 0.002166 True native_MD 7 328 358 O_AB42_38 O1_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 328 359 O_AB42_38 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 328 360 - N_AB42_39 CB_AB42_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 329 332 - N_AB42_39 CG1_AB42_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 329 333 - N_AB42_39 CG2_AB42_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 329 334 - N_AB42_39 CA_AB42_40 1 0.000000e+00 7.574718e-06 ; 3.335100e-01 -7.574718e-06 1.000000e+00 9.999635e-01 0.000485 0.000060 True native_MD 4 329 339 - N_AB42_39 CB_AB42_40 1 0.000000e+00 9.168630e-06 ; 3.388600e-01 -9.168630e-06 2.226246e-01 4.330056e-01 0.000485 0.000060 True native_MD 5 329 340 - N_AB42_39 CG1_AB42_40 1 0.000000e+00 2.891266e-06 ; 3.077885e-01 -2.891266e-06 4.729958e-02 1.013804e-01 0.000485 0.000060 True native_MD 6 329 341 - N_AB42_39 CG2_AB42_40 1 0.000000e+00 2.959618e-06 ; 3.083884e-01 -2.959618e-06 1.184924e-01 1.974927e-01 0.000485 0.000060 True native_MD 6 329 342 - N_AB42_39 C_AB42_40 1 0.000000e+00 1.546635e-06 ; 2.921532e-01 -1.546635e-06 4.961260e-02 7.513162e-02 0.000485 0.000060 True native_MD 5 329 343 + N_AB42_39 CB_AB42_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 329 332 + N_AB42_39 CG1_AB42_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 329 333 + N_AB42_39 CG2_AB42_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 329 334 + N_AB42_39 CA_AB42_40 1 0.000000e+00 7.574706e-06 ; 3.335100e-01 -7.574706e-06 1.000000e+00 9.999635e-01 0.000485 0.000060 True native_MD 4 329 339 + N_AB42_39 CB_AB42_40 1 0.000000e+00 9.168615e-06 ; 3.388600e-01 -9.168615e-06 2.226246e-01 4.330056e-01 0.000485 0.000060 True native_MD 5 329 340 + N_AB42_39 CG1_AB42_40 1 0.000000e+00 2.891239e-06 ; 3.077882e-01 -2.891239e-06 4.729958e-02 1.013804e-01 0.000485 0.000060 True native_MD 6 329 341 + N_AB42_39 CG2_AB42_40 1 0.000000e+00 2.959590e-06 ; 3.083881e-01 -2.959590e-06 1.184924e-01 1.974927e-01 0.000485 0.000060 True native_MD 6 329 342 + N_AB42_39 C_AB42_40 1 0.000000e+00 1.546613e-06 ; 2.921529e-01 -1.546613e-06 4.961260e-02 7.513162e-02 0.000485 0.000060 True native_MD 5 329 343 N_AB42_39 O_AB42_40 1 0.000000e+00 1.622801e-06 ; 2.933259e-01 -1.622801e-06 4.632605e-02 1.281935e-01 0.000485 0.000060 True native_MD 6 329 344 - N_AB42_39 N_AB42_41 1 0.000000e+00 8.791516e-07 ; 2.787193e-01 -8.791516e-07 2.061332e-02 2.502056e-02 0.000485 0.000060 True native_MD 6 329 345 + N_AB42_39 N_AB42_41 1 0.000000e+00 8.791424e-07 ; 2.787190e-01 -8.791424e-07 2.061332e-02 2.502056e-02 0.000485 0.000060 True native_MD 6 329 345 N_AB42_39 CA_AB42_41 1 4.098443e-03 4.015016e-05 ; 4.625707e-01 1.045901e-01 1.130637e-02 1.108266e-02 0.000485 0.001339 True native_MD 7 329 347 - N_AB42_39 CB_AB42_41 1 0.000000e+00 7.591152e-06 ; 3.335702e-01 -7.591152e-06 6.389914e-03 8.522900e-03 0.000485 0.000060 True native_MD 7 329 348 - N_AB42_39 CG1_AB42_41 1 0.000000e+00 3.689329e-06 ; 3.141044e-01 -3.689329e-06 1.130090e-02 1.490468e-02 0.000485 0.000060 True native_MD 7 329 349 - N_AB42_39 CG2_AB42_41 1 0.000000e+00 2.743807e-06 ; 3.064487e-01 -2.743807e-06 4.146571e-03 4.467645e-03 0.000485 0.000060 True native_MD 7 329 350 - N_AB42_39 CD_AB42_41 1 0.000000e+00 2.740733e-06 ; 3.064201e-01 -2.740733e-06 3.278038e-03 2.478623e-03 0.000485 0.000060 True native_MD 7 329 351 + N_AB42_39 CB_AB42_41 1 0.000000e+00 7.591140e-06 ; 3.335702e-01 -7.591140e-06 6.389914e-03 8.522900e-03 0.000485 0.000060 True native_MD 7 329 348 + N_AB42_39 CG1_AB42_41 1 0.000000e+00 3.689281e-06 ; 3.141040e-01 -3.689281e-06 1.130090e-02 1.490468e-02 0.000485 0.000060 True native_MD 7 329 349 + N_AB42_39 CG2_AB42_41 1 0.000000e+00 2.743781e-06 ; 3.064485e-01 -2.743781e-06 4.146571e-03 4.467645e-03 0.000485 0.000060 True native_MD 7 329 350 + N_AB42_39 CD_AB42_41 1 0.000000e+00 2.740708e-06 ; 3.064198e-01 -2.740708e-06 3.278038e-03 2.478623e-03 0.000485 0.000060 True native_MD 7 329 351 N_AB42_39 C_AB42_41 1 1.641858e-03 7.413535e-06 ; 4.065509e-01 9.090458e-02 9.068594e-04 3.116958e-04 0.000485 0.002166 True native_MD 7 329 352 N_AB42_39 O_AB42_41 1 6.847606e-04 1.199661e-06 ; 3.472055e-01 9.771454e-02 4.745225e-03 9.244566e-03 0.000485 0.002166 True native_MD 7 329 353 N_AB42_39 N_AB42_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.068998e-04 2.178712e-04 0.000485 0.000060 True native_MD 7 329 354 N_AB42_39 CA_AB42_42 1 3.276375e-03 3.212984e-05 ; 4.626499e-01 8.352539e-02 1.158595e-03 2.133158e-03 0.000485 0.001339 True native_MD 7 329 356 - N_AB42_39 CB_AB42_42 1 0.000000e+00 2.740756e-06 ; 3.064203e-01 -2.740756e-06 5.646765e-03 4.855577e-03 0.000485 0.000060 True native_MD 7 329 357 + N_AB42_39 CB_AB42_42 1 0.000000e+00 2.740730e-06 ; 3.064201e-01 -2.740730e-06 5.646765e-03 4.855577e-03 0.000485 0.000060 True native_MD 7 329 357 H_AB42_39 H_AB42_39 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 330 - H_AB42_39 O_AB42_39 1 0.000000e+00 1.399931e-08 ; 1.973955e-01 -1.399931e-08 5.798723e-01 4.821104e-01 0.000485 0.000060 True native_MD 4 330 336 + H_AB42_39 O_AB42_39 1 0.000000e+00 1.399953e-08 ; 1.973957e-01 -1.399953e-08 5.798723e-01 4.821104e-01 0.000485 0.000060 True native_MD 4 330 336 H_AB42_39 H_AB42_40 1 0.000000e+00 1.433404e-08 ; 1.977846e-01 -1.433404e-08 1.153170e-01 3.098205e-01 0.000485 0.000060 True native_MD 5 330 338 H_AB42_39 O_AB42_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 344 H_AB42_39 H_AB42_41 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 346 @@ -50555,13 +50555,13 @@ CG2_AB42_36 O2_AB42_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465 H_AB42_39 H_AB42_42 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 355 H_AB42_39 O1_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 359 H_AB42_39 O2_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 360 - CA_AB42_39 CB_AB42_40 1 0.000000e+00 6.555573e-05 ; 3.992202e-01 -6.555573e-05 1.000000e+00 9.999999e-01 0.000485 0.000060 True native_MD 4 331 340 - CA_AB42_39 CG1_AB42_40 1 0.000000e+00 2.999444e-05 ; 3.740374e-01 -2.999444e-05 3.551896e-01 6.187567e-01 0.000485 0.000060 True native_MD 5 331 341 - CA_AB42_39 CG2_AB42_40 1 0.000000e+00 2.294413e-05 ; 3.657781e-01 -2.294413e-05 8.871283e-01 8.536891e-01 0.000485 0.000060 True native_MD 5 331 342 - CA_AB42_39 C_AB42_40 1 0.000000e+00 1.305187e-05 ; 3.489804e-01 -1.305187e-05 9.999995e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 331 343 - CA_AB42_39 O_AB42_40 1 0.000000e+00 3.791658e-06 ; 3.148213e-01 -3.791658e-06 7.156648e-01 6.285487e-01 0.000485 0.000060 True native_MD 5 331 344 - CA_AB42_39 N_AB42_41 1 0.000000e+00 6.297273e-06 ; 3.284161e-01 -6.297273e-06 6.687114e-01 5.000351e-01 0.000485 0.000060 True native_MD 5 331 345 - CA_AB42_39 CA_AB42_41 1 0.000000e+00 5.303138e-05 ; 3.922287e-01 -5.303138e-05 6.820335e-01 4.909845e-01 0.000485 0.000060 True native_MD 6 331 347 + CA_AB42_39 CB_AB42_40 1 0.000000e+00 6.555622e-05 ; 3.992205e-01 -6.555622e-05 1.000000e+00 9.999999e-01 0.000485 0.000060 True native_MD 4 331 340 + CA_AB42_39 CG1_AB42_40 1 0.000000e+00 2.999443e-05 ; 3.740374e-01 -2.999443e-05 3.551896e-01 6.187567e-01 0.000485 0.000060 True native_MD 5 331 341 + CA_AB42_39 CG2_AB42_40 1 0.000000e+00 2.294412e-05 ; 3.657780e-01 -2.294412e-05 8.871283e-01 8.536891e-01 0.000485 0.000060 True native_MD 5 331 342 + CA_AB42_39 C_AB42_40 1 0.000000e+00 1.305180e-05 ; 3.489803e-01 -1.305180e-05 9.999995e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 331 343 + CA_AB42_39 O_AB42_40 1 0.000000e+00 3.791688e-06 ; 3.148215e-01 -3.791688e-06 7.156648e-01 6.285487e-01 0.000485 0.000060 True native_MD 5 331 344 + CA_AB42_39 N_AB42_41 1 0.000000e+00 6.297263e-06 ; 3.284160e-01 -6.297263e-06 6.687114e-01 5.000351e-01 0.000485 0.000060 True native_MD 5 331 345 + CA_AB42_39 CA_AB42_41 1 0.000000e+00 5.303177e-05 ; 3.922290e-01 -5.303177e-05 6.820335e-01 4.909845e-01 0.000485 0.000060 True native_MD 6 331 347 CA_AB42_39 CB_AB42_41 1 9.366120e-03 2.290129e-04 ; 5.387452e-01 9.576337e-02 2.947288e-01 2.480330e-01 0.000485 0.000883 True native_MD 7 331 348 CA_AB42_39 CG1_AB42_41 1 5.227409e-03 6.310100e-05 ; 4.789516e-01 1.082622e-01 3.121541e-01 2.090417e-01 0.000485 0.001021 True native_MD 7 331 349 CA_AB42_39 CG2_AB42_41 1 5.923730e-03 6.524977e-05 ; 4.716979e-01 1.344471e-01 1.487821e-01 8.614171e-02 0.000485 0.001932 True native_MD 7 331 350 @@ -50571,106 +50571,106 @@ CG2_AB42_36 O2_AB42_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465 CA_AB42_39 N_AB42_42 1 2.491126e-03 1.524654e-05 ; 4.276902e-01 1.017560e-01 3.116202e-02 3.324909e-02 0.000485 0.001339 True native_MD 7 331 354 CA_AB42_39 CA_AB42_42 1 6.051507e-03 9.809943e-05 ; 5.030763e-01 9.332558e-02 6.682962e-02 6.049773e-02 0.000485 0.000883 True native_MD 7 331 356 CA_AB42_39 CB_AB42_42 1 2.063816e-03 8.818835e-06 ; 4.028314e-01 1.207455e-01 4.937416e-02 4.307629e-02 0.000485 0.001932 True native_MD 7 331 357 - CA_AB42_39 C_AB42_42 1 0.000000e+00 1.315971e-05 ; 3.492198e-01 -1.315971e-05 1.280104e-03 9.542580e-03 0.000485 0.001339 True native_MD 7 331 358 + CA_AB42_39 C_AB42_42 1 0.000000e+00 1.315964e-05 ; 3.492196e-01 -1.315964e-05 1.280104e-03 9.542580e-03 0.000485 0.001339 True native_MD 7 331 358 CA_AB42_39 O1_AB42_42 1 5.782060e-04 1.097716e-06 ; 3.518854e-01 7.614040e-02 5.829817e-04 1.162693e-03 0.000485 0.001339 True native_MD 7 331 359 CA_AB42_39 O2_AB42_42 1 5.782060e-04 1.097716e-06 ; 3.518854e-01 7.614040e-02 5.829817e-04 1.162693e-03 0.000485 0.001339 True native_MD 7 331 360 - CB_AB42_39 C_AB42_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 335 + CB_AB42_39 C_AB42_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 335 CB_AB42_39 O_AB42_39 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 336 - CB_AB42_39 N_AB42_40 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 337 - CB_AB42_39 CA_AB42_40 1 0.000000e+00 6.555504e-05 ; 3.992199e-01 -6.555504e-05 1.000000e+00 9.999893e-01 0.000485 0.000060 True native_MD 4 332 339 - CB_AB42_39 CB_AB42_40 1 0.000000e+00 6.545421e-05 ; 3.991687e-01 -6.545421e-05 9.999751e-01 9.984264e-01 0.000485 0.000060 True native_MD 5 332 340 - CB_AB42_39 CG1_AB42_40 1 0.000000e+00 2.629715e-05 ; 3.699594e-01 -2.629715e-05 1.471635e-01 2.549759e-01 0.000485 0.000060 True native_MD 6 332 341 - CB_AB42_39 CG2_AB42_40 1 0.000000e+00 2.600308e-05 ; 3.696129e-01 -2.600308e-05 3.676493e-01 4.630736e-01 0.000485 0.000060 True native_MD 6 332 342 - CB_AB42_39 C_AB42_40 1 0.000000e+00 1.018654e-05 ; 3.418460e-01 -1.018654e-05 9.432199e-01 7.236861e-01 0.000485 0.000060 True native_MD 5 332 343 - CB_AB42_39 O_AB42_40 1 0.000000e+00 3.328180e-06 ; 3.114193e-01 -3.328180e-06 5.143870e-01 3.156833e-01 0.000485 0.000060 True native_MD 6 332 344 - CB_AB42_39 N_AB42_41 1 0.000000e+00 6.565750e-06 ; 3.295607e-01 -6.565750e-06 3.560065e-01 2.227728e-01 0.000485 0.000060 True native_MD 6 332 345 + CB_AB42_39 N_AB42_40 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 337 + CB_AB42_39 CA_AB42_40 1 0.000000e+00 6.555552e-05 ; 3.992201e-01 -6.555552e-05 1.000000e+00 9.999893e-01 0.000485 0.000060 True native_MD 4 332 339 + CB_AB42_39 CB_AB42_40 1 0.000000e+00 6.545470e-05 ; 3.991689e-01 -6.545470e-05 9.999751e-01 9.984264e-01 0.000485 0.000060 True native_MD 5 332 340 + CB_AB42_39 CG1_AB42_40 1 0.000000e+00 2.629714e-05 ; 3.699594e-01 -2.629714e-05 1.471635e-01 2.549759e-01 0.000485 0.000060 True native_MD 6 332 341 + CB_AB42_39 CG2_AB42_40 1 0.000000e+00 2.600307e-05 ; 3.696128e-01 -2.600307e-05 3.676493e-01 4.630736e-01 0.000485 0.000060 True native_MD 6 332 342 + CB_AB42_39 C_AB42_40 1 0.000000e+00 1.018649e-05 ; 3.418459e-01 -1.018649e-05 9.432199e-01 7.236861e-01 0.000485 0.000060 True native_MD 5 332 343 + CB_AB42_39 O_AB42_40 1 0.000000e+00 3.328206e-06 ; 3.114195e-01 -3.328206e-06 5.143870e-01 3.156833e-01 0.000485 0.000060 True native_MD 6 332 344 + CB_AB42_39 N_AB42_41 1 0.000000e+00 6.565740e-06 ; 3.295606e-01 -6.565740e-06 3.560065e-01 2.227728e-01 0.000485 0.000060 True native_MD 6 332 345 CB_AB42_39 CA_AB42_41 1 7.754257e-03 1.352994e-04 ; 5.092831e-01 1.111026e-01 5.442830e-01 2.894358e-01 0.000485 0.000883 True native_MD 7 332 347 CB_AB42_39 CB_AB42_41 1 7.276768e-03 1.239506e-04 ; 5.072457e-01 1.067993e-01 3.373092e-01 2.040255e-01 0.000485 0.000883 True native_MD 7 332 348 CB_AB42_39 CG1_AB42_41 1 2.502998e-03 1.366540e-05 ; 4.196240e-01 1.146143e-01 3.155061e-01 1.747090e-01 0.000485 0.001021 True native_MD 7 332 349 CB_AB42_39 CG2_AB42_41 1 2.863272e-03 1.481023e-05 ; 4.158626e-01 1.383896e-01 1.663729e-01 8.560653e-02 0.000485 0.001932 True native_MD 7 332 350 CB_AB42_39 CD_AB42_41 1 2.873037e-03 1.386909e-05 ; 4.111034e-01 1.487903e-01 2.464234e-01 9.288201e-02 0.000485 0.001932 True native_MD 7 332 351 - CB_AB42_39 C_AB42_41 1 0.000000e+00 1.272090e-05 ; 3.482343e-01 -1.272090e-05 1.211205e-01 9.576290e-02 0.000485 0.000060 True native_MD 7 332 352 + CB_AB42_39 C_AB42_41 1 0.000000e+00 1.272084e-05 ; 3.482341e-01 -1.272084e-05 1.211205e-01 9.576290e-02 0.000485 0.000060 True native_MD 7 332 352 CB_AB42_39 O_AB42_41 1 6.713734e-04 1.067856e-06 ; 3.416579e-01 1.055250e-01 1.236804e-01 1.048322e-01 0.000485 0.001191 True native_MD 7 332 353 - CB_AB42_39 N_AB42_42 1 0.000000e+00 7.428399e-06 ; 3.329683e-01 -7.428399e-06 5.062690e-02 3.127432e-02 0.000485 0.000060 True native_MD 7 332 354 + CB_AB42_39 N_AB42_42 1 0.000000e+00 7.428387e-06 ; 3.329683e-01 -7.428387e-06 5.062690e-02 3.127432e-02 0.000485 0.000060 True native_MD 7 332 354 CB_AB42_39 CA_AB42_42 1 4.315149e-03 4.707794e-05 ; 4.709451e-01 9.888129e-02 1.000717e-01 7.671417e-02 0.000485 0.000883 True native_MD 7 332 356 CB_AB42_39 CB_AB42_42 1 1.933305e-03 7.041735e-06 ; 3.922502e-01 1.326970e-01 8.308344e-02 5.069011e-02 0.000485 0.001932 True native_MD 7 332 357 - CB_AB42_39 C_AB42_42 1 0.000000e+00 1.317768e-05 ; 3.492595e-01 -1.317768e-05 1.973932e-03 1.161334e-02 0.000485 0.000060 True native_MD 7 332 358 - CB_AB42_39 O1_AB42_42 1 0.000000e+00 3.366916e-06 ; 3.117198e-01 -3.366916e-06 9.737112e-04 2.373521e-03 0.000485 0.000060 True native_MD 7 332 359 - CB_AB42_39 O2_AB42_42 1 0.000000e+00 3.366916e-06 ; 3.117198e-01 -3.366916e-06 9.737112e-04 2.373521e-03 0.000485 0.000060 True native_MD 7 332 360 -CG1_AB42_39 C_AB42_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 333 335 + CB_AB42_39 C_AB42_42 1 0.000000e+00 1.317761e-05 ; 3.492594e-01 -1.317761e-05 1.973932e-03 1.161334e-02 0.000485 0.000060 True native_MD 7 332 358 + CB_AB42_39 O1_AB42_42 1 0.000000e+00 3.366943e-06 ; 3.117200e-01 -3.366943e-06 9.737112e-04 2.373521e-03 0.000485 0.000060 True native_MD 7 332 359 + CB_AB42_39 O2_AB42_42 1 0.000000e+00 3.366943e-06 ; 3.117200e-01 -3.366943e-06 9.737112e-04 2.373521e-03 0.000485 0.000060 True native_MD 7 332 360 +CG1_AB42_39 C_AB42_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 333 335 CG1_AB42_39 O_AB42_39 1 0.000000e+00 1.420446e-06 ; 2.900884e-01 -1.420446e-06 9.376446e-01 8.820950e-01 0.000485 0.000060 True native_MD 4 333 336 -CG1_AB42_39 N_AB42_40 1 0.000000e+00 2.667454e-06 ; 3.057288e-01 -2.667454e-06 9.972010e-01 9.696857e-01 0.000485 0.000060 True native_MD 4 333 337 -CG1_AB42_39 CA_AB42_40 1 0.000000e+00 1.927581e-05 ; 3.605062e-01 -1.927581e-05 9.086016e-01 7.206279e-01 0.000485 0.000060 True native_MD 5 333 339 -CG1_AB42_39 CB_AB42_40 1 0.000000e+00 1.852456e-05 ; 3.593139e-01 -1.852456e-05 5.153823e-01 2.957609e-01 0.000485 0.000060 True native_MD 6 333 340 +CG1_AB42_39 N_AB42_40 1 0.000000e+00 2.667428e-06 ; 3.057286e-01 -2.667428e-06 9.972010e-01 9.696857e-01 0.000485 0.000060 True native_MD 4 333 337 +CG1_AB42_39 CA_AB42_40 1 0.000000e+00 1.927580e-05 ; 3.605062e-01 -1.927580e-05 9.086016e-01 7.206279e-01 0.000485 0.000060 True native_MD 5 333 339 +CG1_AB42_39 CB_AB42_40 1 0.000000e+00 1.852455e-05 ; 3.593139e-01 -1.852455e-05 5.153823e-01 2.957609e-01 0.000485 0.000060 True native_MD 6 333 340 CG1_AB42_39 CG1_AB42_40 1 2.185713e-03 8.456689e-06 ; 3.962183e-01 1.412297e-01 5.414464e-02 7.037667e-02 0.000485 0.005315 True native_MD 7 333 341 CG1_AB42_39 CG2_AB42_40 1 1.616986e-03 4.722868e-06 ; 3.780796e-01 1.384035e-01 7.720712e-02 1.092100e-01 0.000485 0.005315 True native_MD 7 333 342 -CG1_AB42_39 C_AB42_40 1 0.000000e+00 3.244424e-06 ; 3.107586e-01 -3.244424e-06 5.807270e-01 2.672154e-01 0.000485 0.000060 True native_MD 6 333 343 +CG1_AB42_39 C_AB42_40 1 0.000000e+00 3.244381e-06 ; 3.107582e-01 -3.244381e-06 5.807270e-01 2.672154e-01 0.000485 0.000060 True native_MD 6 333 343 CG1_AB42_39 O_AB42_40 1 6.577828e-04 8.340271e-07 ; 3.289902e-01 1.296955e-01 3.981140e-01 1.637062e-01 0.000485 0.001191 True native_MD 7 333 344 -CG1_AB42_39 N_AB42_41 1 0.000000e+00 2.314054e-06 ; 3.021293e-01 -2.314054e-06 2.609934e-01 1.046378e-01 0.000485 0.000060 True native_MD 7 333 345 +CG1_AB42_39 N_AB42_41 1 0.000000e+00 2.314032e-06 ; 3.021290e-01 -2.314032e-06 2.609934e-01 1.046378e-01 0.000485 0.000060 True native_MD 7 333 345 CG1_AB42_39 CA_AB42_41 1 3.753810e-03 2.376205e-05 ; 4.300992e-01 1.482520e-01 4.124652e-01 1.579911e-01 0.000485 0.001932 True native_MD 7 333 347 CG1_AB42_39 CB_AB42_41 1 3.271912e-03 1.845318e-05 ; 4.219020e-01 1.450347e-01 2.944728e-01 1.241952e-01 0.000485 0.001932 True native_MD 7 333 348 CG1_AB42_39 CG1_AB42_41 1 1.137331e-03 2.186144e-06 ; 3.526133e-01 1.479228e-01 2.486431e-01 1.160685e-01 0.000485 0.002332 True native_MD 7 333 349 CG1_AB42_39 CG2_AB42_41 1 1.347910e-03 2.586674e-06 ; 3.525170e-01 1.755983e-01 1.355533e-01 6.299504e-02 0.000485 0.005315 True native_MD 7 333 350 CG1_AB42_39 CD_AB42_41 1 1.391017e-03 2.596017e-06 ; 3.508831e-01 1.863363e-01 2.140606e-01 7.213966e-02 0.000485 0.005315 True native_MD 7 333 351 -CG1_AB42_39 C_AB42_41 1 0.000000e+00 4.443525e-06 ; 3.190110e-01 -4.443525e-06 1.195233e-01 5.972989e-02 0.000485 0.000060 True native_MD 7 333 352 +CG1_AB42_39 C_AB42_41 1 0.000000e+00 4.443467e-06 ; 3.190106e-01 -4.443467e-06 1.195233e-01 5.972989e-02 0.000485 0.000060 True native_MD 7 333 352 CG1_AB42_39 O_AB42_41 1 3.433479e-04 2.459018e-07 ; 2.991148e-01 1.198525e-01 1.138908e-01 6.287420e-02 0.000485 0.001191 True native_MD 7 333 353 -CG1_AB42_39 N_AB42_42 1 0.000000e+00 2.650416e-06 ; 3.055656e-01 -2.650416e-06 5.649657e-02 2.276992e-02 0.000485 0.000060 True native_MD 7 333 354 +CG1_AB42_39 N_AB42_42 1 0.000000e+00 2.650391e-06 ; 3.055654e-01 -2.650391e-06 5.649657e-02 2.276992e-02 0.000485 0.000060 True native_MD 7 333 354 CG1_AB42_39 CA_AB42_42 1 1.613825e-03 4.812722e-06 ; 3.793928e-01 1.352889e-01 8.714570e-02 4.920048e-02 0.000485 0.001932 True native_MD 7 333 356 CG1_AB42_39 CB_AB42_42 1 1.140417e-03 1.853615e-06 ; 3.428936e-01 1.754073e-01 6.769492e-02 3.163987e-02 0.000485 0.005315 True native_MD 7 333 357 -CG1_AB42_39 C_AB42_42 1 0.000000e+00 4.744701e-06 ; 3.207592e-01 -4.744701e-06 5.351956e-03 9.284507e-03 0.000485 0.000060 True native_MD 7 333 358 +CG1_AB42_39 C_AB42_42 1 0.000000e+00 4.744639e-06 ; 3.207588e-01 -4.744639e-06 5.351956e-03 9.284507e-03 0.000485 0.000060 True native_MD 7 333 358 CG1_AB42_39 O1_AB42_42 1 0.000000e+00 1.219229e-06 ; 2.864192e-01 -1.219229e-06 8.785674e-04 2.326993e-03 0.000485 0.000060 True native_MD 7 333 359 CG1_AB42_39 O2_AB42_42 1 0.000000e+00 1.219229e-06 ; 2.864192e-01 -1.219229e-06 8.785674e-04 2.326993e-03 0.000485 0.000060 True native_MD 7 333 360 -CG2_AB42_39 C_AB42_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 334 335 +CG2_AB42_39 C_AB42_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 334 335 CG2_AB42_39 O_AB42_39 1 0.000000e+00 1.434029e-06 ; 2.903186e-01 -1.434029e-06 9.801944e-01 9.336765e-01 0.000485 0.000060 True native_MD 4 334 336 -CG2_AB42_39 N_AB42_40 1 0.000000e+00 2.686701e-06 ; 3.059121e-01 -2.686701e-06 9.857015e-01 9.652032e-01 0.000485 0.000060 True native_MD 4 334 337 -CG2_AB42_39 CA_AB42_40 1 0.000000e+00 2.699593e-05 ; 3.707688e-01 -2.699593e-05 5.407926e-01 6.780424e-01 0.000485 0.000060 True native_MD 5 334 339 -CG2_AB42_39 CB_AB42_40 1 0.000000e+00 2.579898e-05 ; 3.693702e-01 -2.579898e-05 1.769697e-01 2.637956e-01 0.000485 0.000060 True native_MD 6 334 340 +CG2_AB42_39 N_AB42_40 1 0.000000e+00 2.686675e-06 ; 3.059118e-01 -2.686675e-06 9.857015e-01 9.652032e-01 0.000485 0.000060 True native_MD 4 334 337 +CG2_AB42_39 CA_AB42_40 1 0.000000e+00 2.699592e-05 ; 3.707688e-01 -2.699592e-05 5.407926e-01 6.780424e-01 0.000485 0.000060 True native_MD 5 334 339 +CG2_AB42_39 CB_AB42_40 1 0.000000e+00 2.579896e-05 ; 3.693702e-01 -2.579896e-05 1.769697e-01 2.637956e-01 0.000485 0.000060 True native_MD 6 334 340 CG2_AB42_39 CG1_AB42_40 1 1.663019e-03 6.043326e-06 ; 3.920997e-01 1.144085e-01 2.789417e-02 8.090455e-02 0.000485 0.005315 True native_MD 7 334 341 CG2_AB42_39 CG2_AB42_40 1 1.280097e-03 3.520280e-06 ; 3.743022e-01 1.163721e-01 4.617984e-02 1.262966e-01 0.000485 0.005315 True native_MD 7 334 342 -CG2_AB42_39 C_AB42_40 1 0.000000e+00 4.476437e-06 ; 3.192072e-01 -4.476437e-06 2.599301e-01 2.071006e-01 0.000485 0.000060 True native_MD 6 334 343 +CG2_AB42_39 C_AB42_40 1 0.000000e+00 4.476379e-06 ; 3.192069e-01 -4.476379e-06 2.599301e-01 2.071006e-01 0.000485 0.000060 True native_MD 6 334 343 CG2_AB42_39 O_AB42_40 1 5.864891e-04 8.075481e-07 ; 3.335427e-01 1.064857e-01 1.524596e-01 1.255630e-01 0.000485 0.001191 True native_MD 7 334 344 -CG2_AB42_39 N_AB42_41 1 0.000000e+00 2.709124e-06 ; 3.061240e-01 -2.709124e-06 1.033781e-01 9.105479e-02 0.000485 0.000060 True native_MD 7 334 345 +CG2_AB42_39 N_AB42_41 1 0.000000e+00 2.709099e-06 ; 3.061238e-01 -2.709099e-06 1.033781e-01 9.105479e-02 0.000485 0.000060 True native_MD 7 334 345 CG2_AB42_39 CA_AB42_41 1 3.844488e-03 2.899788e-05 ; 4.428479e-01 1.274239e-01 1.880551e-01 1.343468e-01 0.000485 0.001932 True native_MD 7 334 347 CG2_AB42_39 CB_AB42_41 1 2.979362e-03 1.790068e-05 ; 4.263743e-01 1.239701e-01 1.333994e-01 1.056776e-01 0.000485 0.001932 True native_MD 7 334 348 CG2_AB42_39 CG1_AB42_41 1 1.194655e-03 2.655766e-06 ; 3.612639e-01 1.343492e-01 1.370802e-01 9.605589e-02 0.000485 0.002332 True native_MD 7 334 349 CG2_AB42_39 CG2_AB42_41 1 1.302889e-03 2.727859e-06 ; 3.576727e-01 1.555725e-01 6.149208e-02 5.203357e-02 0.000485 0.005315 True native_MD 7 334 350 CG2_AB42_39 CD_AB42_41 1 1.345289e-03 2.580156e-06 ; 3.524832e-01 1.753578e-01 1.264698e-01 5.919818e-02 0.000485 0.005315 True native_MD 7 334 351 -CG2_AB42_39 C_AB42_41 1 0.000000e+00 4.732209e-06 ; 3.206887e-01 -4.732209e-06 5.623047e-02 5.751981e-02 0.000485 0.000060 True native_MD 7 334 352 +CG2_AB42_39 C_AB42_41 1 0.000000e+00 4.732147e-06 ; 3.206884e-01 -4.732147e-06 5.623047e-02 5.751981e-02 0.000485 0.000060 True native_MD 7 334 352 CG2_AB42_39 O_AB42_41 1 2.607448e-04 1.807342e-07 ; 2.974889e-01 9.404401e-02 5.398081e-02 6.451301e-02 0.000485 0.001191 True native_MD 7 334 353 -CG2_AB42_39 N_AB42_42 1 0.000000e+00 2.727452e-06 ; 3.062961e-01 -2.727452e-06 2.678885e-02 2.114733e-02 0.000485 0.000060 True native_MD 7 334 354 +CG2_AB42_39 N_AB42_42 1 0.000000e+00 2.727426e-06 ; 3.062958e-01 -2.727426e-06 2.678885e-02 2.114733e-02 0.000485 0.000060 True native_MD 7 334 354 CG2_AB42_39 CA_AB42_42 1 1.524417e-03 5.149975e-06 ; 3.873619e-01 1.128087e-01 4.663108e-02 5.159003e-02 0.000485 0.001932 True native_MD 7 334 356 CG2_AB42_39 CB_AB42_42 1 1.214981e-03 2.316805e-06 ; 3.521438e-01 1.592904e-01 4.359899e-02 3.300812e-02 0.000485 0.005315 True native_MD 7 334 357 -CG2_AB42_39 C_AB42_42 1 0.000000e+00 4.759288e-06 ; 3.208412e-01 -4.759288e-06 1.918539e-03 8.937551e-03 0.000485 0.000060 True native_MD 7 334 358 +CG2_AB42_39 C_AB42_42 1 0.000000e+00 4.759226e-06 ; 3.208409e-01 -4.759226e-06 1.918539e-03 8.937551e-03 0.000485 0.000060 True native_MD 7 334 358 CG2_AB42_39 O1_AB42_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 334 359 CG2_AB42_39 O2_AB42_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 334 360 - C_AB42_39 CB_AB42_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 335 340 - C_AB42_39 CG1_AB42_40 1 0.000000e+00 4.690582e-06 ; 3.204527e-01 -4.690582e-06 9.964652e-01 9.889466e-01 0.000485 0.000060 True native_MD 4 335 341 - C_AB42_39 CG2_AB42_40 1 0.000000e+00 4.716456e-06 ; 3.205996e-01 -4.716456e-06 9.993178e-01 9.972739e-01 0.000485 0.000060 True native_MD 4 335 342 - C_AB42_39 O_AB42_40 1 0.000000e+00 7.808797e-07 ; 2.759796e-01 -7.808797e-07 9.704033e-01 9.147003e-01 0.000485 0.000060 True native_MD 4 335 344 - C_AB42_39 N_AB42_41 1 0.000000e+00 1.463890e-06 ; 2.908176e-01 -1.463890e-06 9.968158e-01 9.674697e-01 0.000485 0.000060 True native_MD 4 335 345 - C_AB42_39 CA_AB42_41 1 0.000000e+00 1.122664e-05 ; 3.446269e-01 -1.122664e-05 9.607501e-01 8.209060e-01 0.000485 0.000060 True native_MD 5 335 347 - C_AB42_39 CB_AB42_41 1 0.000000e+00 1.146783e-05 ; 3.452379e-01 -1.146783e-05 4.441916e-01 3.228268e-01 0.000485 0.000060 True native_MD 6 335 348 - C_AB42_39 CG1_AB42_41 1 0.000000e+00 5.332553e-06 ; 3.238965e-01 -5.332553e-06 3.799812e-01 2.218798e-01 0.000485 0.000060 True native_MD 7 335 349 - C_AB42_39 CG2_AB42_41 1 0.000000e+00 4.449101e-06 ; 3.190443e-01 -4.449101e-06 1.684063e-01 1.097927e-01 0.000485 0.000060 True native_MD 7 335 350 - C_AB42_39 CD_AB42_41 1 0.000000e+00 4.124898e-06 ; 3.170391e-01 -4.124898e-06 1.658462e-01 3.863437e-02 0.000485 0.000060 True native_MD 7 335 351 - C_AB42_39 C_AB42_41 1 0.000000e+00 2.597981e-06 ; 3.050572e-01 -2.597981e-06 9.369943e-02 9.347279e-02 0.000485 0.000060 True native_MD 6 335 352 + C_AB42_39 CB_AB42_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 335 340 + C_AB42_39 CG1_AB42_40 1 0.000000e+00 4.690521e-06 ; 3.204523e-01 -4.690521e-06 9.964652e-01 9.889466e-01 0.000485 0.000060 True native_MD 4 335 341 + C_AB42_39 CG2_AB42_40 1 0.000000e+00 4.716394e-06 ; 3.205993e-01 -4.716394e-06 9.993178e-01 9.972739e-01 0.000485 0.000060 True native_MD 4 335 342 + C_AB42_39 O_AB42_40 1 0.000000e+00 7.808761e-07 ; 2.759795e-01 -7.808761e-07 9.704033e-01 9.147003e-01 0.000485 0.000060 True native_MD 4 335 344 + C_AB42_39 N_AB42_41 1 0.000000e+00 1.463870e-06 ; 2.908173e-01 -1.463870e-06 9.968158e-01 9.674697e-01 0.000485 0.000060 True native_MD 4 335 345 + C_AB42_39 CA_AB42_41 1 0.000000e+00 1.122658e-05 ; 3.446267e-01 -1.122658e-05 9.607501e-01 8.209060e-01 0.000485 0.000060 True native_MD 5 335 347 + C_AB42_39 CB_AB42_41 1 0.000000e+00 1.146777e-05 ; 3.452377e-01 -1.146777e-05 4.441916e-01 3.228268e-01 0.000485 0.000060 True native_MD 6 335 348 + C_AB42_39 CG1_AB42_41 1 0.000000e+00 5.332463e-06 ; 3.238961e-01 -5.332463e-06 3.799812e-01 2.218798e-01 0.000485 0.000060 True native_MD 7 335 349 + C_AB42_39 CG2_AB42_41 1 0.000000e+00 4.449043e-06 ; 3.190440e-01 -4.449043e-06 1.684063e-01 1.097927e-01 0.000485 0.000060 True native_MD 7 335 350 + C_AB42_39 CD_AB42_41 1 0.000000e+00 4.124844e-06 ; 3.170387e-01 -4.124844e-06 1.658462e-01 3.863437e-02 0.000485 0.000060 True native_MD 7 335 351 + C_AB42_39 C_AB42_41 1 0.000000e+00 2.597935e-06 ; 3.050568e-01 -2.597935e-06 9.369943e-02 9.347279e-02 0.000485 0.000060 True native_MD 6 335 352 C_AB42_39 O_AB42_41 1 8.396682e-04 1.647996e-06 ; 3.538409e-01 1.069546e-01 5.384795e-02 7.956146e-02 0.000485 0.002166 True native_MD 7 335 353 C_AB42_39 N_AB42_42 1 9.303328e-04 1.838472e-06 ; 3.542445e-01 1.176955e-01 3.870673e-02 4.146860e-02 0.000485 0.002166 True native_MD 7 335 354 C_AB42_39 CA_AB42_42 1 2.838061e-03 1.956173e-05 ; 4.362455e-01 1.029381e-01 4.680523e-02 4.820367e-02 0.000485 0.001339 True native_MD 7 335 356 - C_AB42_39 CB_AB42_42 1 0.000000e+00 4.677664e-06 ; 3.203790e-01 -4.677664e-06 3.999802e-02 2.974610e-02 0.000485 0.000060 True native_MD 7 335 357 - C_AB42_39 C_AB42_42 1 0.000000e+00 2.612834e-06 ; 3.052022e-01 -2.612834e-06 7.832489e-04 6.272588e-03 0.000485 0.002166 True native_MD 7 335 358 + C_AB42_39 CB_AB42_42 1 0.000000e+00 4.677603e-06 ; 3.203787e-01 -4.677603e-06 3.999802e-02 2.974610e-02 0.000485 0.000060 True native_MD 7 335 357 + C_AB42_39 C_AB42_42 1 0.000000e+00 2.612788e-06 ; 3.052017e-01 -2.612788e-06 7.832489e-04 6.272588e-03 0.000485 0.002166 True native_MD 7 335 358 C_AB42_39 O1_AB42_42 1 3.523581e-04 4.297393e-07 ; 3.268663e-01 7.222766e-02 5.185639e-04 7.551617e-04 0.000485 0.002166 True native_MD 7 335 359 C_AB42_39 O2_AB42_42 1 3.523581e-04 4.297393e-07 ; 3.268663e-01 7.222766e-02 5.185639e-04 7.551617e-04 0.000485 0.002166 True native_MD 7 335 360 O_AB42_39 O_AB42_39 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 336 336 O_AB42_39 H_AB42_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 336 338 - O_AB42_39 CB_AB42_40 1 0.000000e+00 4.153485e-06 ; 3.172216e-01 -4.153485e-06 1.000000e+00 9.999977e-01 0.000485 0.000060 True native_MD 4 336 340 - O_AB42_39 CG1_AB42_40 1 0.000000e+00 1.806676e-06 ; 2.959614e-01 -1.806676e-06 2.071159e-01 4.083702e-01 0.000485 0.000060 True native_MD 5 336 341 + O_AB42_39 CB_AB42_40 1 0.000000e+00 4.153518e-06 ; 3.172218e-01 -4.153518e-06 1.000000e+00 9.999977e-01 0.000485 0.000060 True native_MD 4 336 340 + O_AB42_39 CG1_AB42_40 1 0.000000e+00 1.806677e-06 ; 2.959614e-01 -1.806677e-06 2.071159e-01 4.083702e-01 0.000485 0.000060 True native_MD 5 336 341 O_AB42_39 CG2_AB42_40 1 0.000000e+00 1.229418e-06 ; 2.866179e-01 -1.229418e-06 6.007658e-01 4.182028e-01 0.000485 0.000060 True native_MD 5 336 342 - O_AB42_39 C_AB42_40 1 0.000000e+00 8.236437e-07 ; 2.772085e-01 -8.236437e-07 9.999656e-01 9.959760e-01 0.000485 0.000060 True native_MD 4 336 343 + O_AB42_39 C_AB42_40 1 0.000000e+00 8.236399e-07 ; 2.772084e-01 -8.236399e-07 9.999656e-01 9.959760e-01 0.000485 0.000060 True native_MD 4 336 343 O_AB42_39 O_AB42_40 1 0.000000e+00 1.296625e-06 ; 2.878920e-01 -1.296625e-06 9.535205e-01 8.179375e-01 0.000485 0.000060 True native_MD 5 336 344 O_AB42_39 N_AB42_41 1 0.000000e+00 1.365778e-06 ; 2.891412e-01 -1.365778e-06 9.792187e-01 8.897376e-01 0.000485 0.000060 True native_MD 5 336 345 - O_AB42_39 H_AB42_41 1 0.000000e+00 1.377100e-08 ; 1.971252e-01 -1.377100e-08 2.384056e-01 1.259297e-01 0.000485 0.000060 True native_MD 6 336 346 - O_AB42_39 CA_AB42_41 1 0.000000e+00 3.092026e-06 ; 3.095152e-01 -3.092026e-06 7.459944e-01 4.904340e-01 0.000485 0.000060 True native_MD 6 336 347 + O_AB42_39 H_AB42_41 1 0.000000e+00 1.377122e-08 ; 1.971255e-01 -1.377122e-08 2.384056e-01 1.259297e-01 0.000485 0.000060 True native_MD 6 336 346 + O_AB42_39 CA_AB42_41 1 0.000000e+00 3.092050e-06 ; 3.095154e-01 -3.092050e-06 7.459944e-01 4.904340e-01 0.000485 0.000060 True native_MD 6 336 347 O_AB42_39 CB_AB42_41 1 2.005402e-03 8.279455e-06 ; 4.005285e-01 1.214342e-01 4.192326e-01 2.207406e-01 0.000485 0.001191 True native_MD 7 336 348 O_AB42_39 CG1_AB42_41 1 7.242421e-04 1.050788e-06 ; 3.364639e-01 1.247937e-01 4.021222e-01 1.914796e-01 0.000485 0.001191 True native_MD 7 336 349 O_AB42_39 CG2_AB42_41 1 5.917855e-04 7.792804e-07 ; 3.310713e-01 1.123505e-01 1.706274e-01 1.179054e-01 0.000485 0.001191 True native_MD 7 336 350 @@ -50684,176 +50684,176 @@ CG2_AB42_39 O2_AB42_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465 O_AB42_39 C_AB42_42 1 8.152929e-04 1.491581e-06 ; 3.497214e-01 1.114090e-01 1.063842e-02 1.375681e-02 0.000485 0.002166 True native_MD 7 336 358 O_AB42_39 O1_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 336 359 O_AB42_39 O2_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 336 360 - N_AB42_40 CB_AB42_40 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 337 340 - N_AB42_40 CG1_AB42_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 337 341 - N_AB42_40 CG2_AB42_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 337 342 - N_AB42_40 CA_AB42_41 1 0.000000e+00 7.574705e-06 ; 3.335100e-01 -7.574705e-06 1.000000e+00 9.999618e-01 0.000485 0.000060 True native_MD 4 337 347 - N_AB42_40 CB_AB42_41 1 0.000000e+00 7.468812e-06 ; 3.331189e-01 -7.468812e-06 4.094703e-01 3.954528e-01 0.000485 0.000060 True native_MD 5 337 348 - N_AB42_40 CG1_AB42_41 1 0.000000e+00 3.608603e-06 ; 3.135258e-01 -3.608603e-06 2.363494e-01 2.179932e-01 0.000485 0.000060 True native_MD 6 337 349 - N_AB42_40 CG2_AB42_41 1 0.000000e+00 2.650934e-06 ; 3.055706e-01 -2.650934e-06 1.066398e-01 7.310184e-02 0.000485 0.000060 True native_MD 6 337 350 - N_AB42_40 CD_AB42_41 1 0.000000e+00 2.619455e-06 ; 3.052666e-01 -2.619455e-06 5.726809e-02 1.225358e-02 0.000485 0.000060 True native_MD 7 337 351 - N_AB42_40 C_AB42_41 1 0.000000e+00 1.464700e-06 ; 2.908310e-01 -1.464700e-06 9.435839e-02 6.554893e-02 0.000485 0.000060 True native_MD 5 337 352 + N_AB42_40 CB_AB42_40 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 337 340 + N_AB42_40 CG1_AB42_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 337 341 + N_AB42_40 CG2_AB42_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 337 342 + N_AB42_40 CA_AB42_41 1 0.000000e+00 7.574694e-06 ; 3.335099e-01 -7.574694e-06 1.000000e+00 9.999618e-01 0.000485 0.000060 True native_MD 4 337 347 + N_AB42_40 CB_AB42_41 1 0.000000e+00 7.468801e-06 ; 3.331189e-01 -7.468801e-06 4.094703e-01 3.954528e-01 0.000485 0.000060 True native_MD 5 337 348 + N_AB42_40 CG1_AB42_41 1 0.000000e+00 3.608555e-06 ; 3.135254e-01 -3.608555e-06 2.363494e-01 2.179932e-01 0.000485 0.000060 True native_MD 6 337 349 + N_AB42_40 CG2_AB42_41 1 0.000000e+00 2.650909e-06 ; 3.055704e-01 -2.650909e-06 1.066398e-01 7.310184e-02 0.000485 0.000060 True native_MD 6 337 350 + N_AB42_40 CD_AB42_41 1 0.000000e+00 2.619430e-06 ; 3.052663e-01 -2.619430e-06 5.726809e-02 1.225358e-02 0.000485 0.000060 True native_MD 7 337 351 + N_AB42_40 C_AB42_41 1 0.000000e+00 1.464679e-06 ; 2.908307e-01 -1.464679e-06 9.435839e-02 6.554893e-02 0.000485 0.000060 True native_MD 5 337 352 N_AB42_40 O_AB42_41 1 0.000000e+00 1.504194e-06 ; 2.914766e-01 -1.504194e-06 1.176089e-01 1.204048e-01 0.000485 0.000060 True native_MD 6 337 353 - N_AB42_40 N_AB42_42 1 0.000000e+00 8.723573e-07 ; 2.785391e-01 -8.723573e-07 2.369353e-02 2.033838e-02 0.000485 0.000060 True native_MD 6 337 354 + N_AB42_40 N_AB42_42 1 0.000000e+00 8.723481e-07 ; 2.785389e-01 -8.723481e-07 2.369353e-02 2.033838e-02 0.000485 0.000060 True native_MD 6 337 354 N_AB42_40 CA_AB42_42 1 4.560143e-03 4.821632e-05 ; 4.684925e-01 1.078209e-01 1.115018e-02 9.922309e-03 0.000485 0.001339 True native_MD 7 337 356 - N_AB42_40 CB_AB42_42 1 0.000000e+00 2.741208e-06 ; 3.064245e-01 -2.741208e-06 3.027377e-03 2.400964e-03 0.000485 0.000060 True native_MD 7 337 357 + N_AB42_40 CB_AB42_42 1 0.000000e+00 2.741182e-06 ; 3.064243e-01 -2.741182e-06 3.027377e-03 2.400964e-03 0.000485 0.000060 True native_MD 7 337 357 H_AB42_40 H_AB42_40 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 338 - H_AB42_40 O_AB42_40 1 0.000000e+00 1.571549e-08 ; 1.993069e-01 -1.571549e-08 4.836409e-01 4.964852e-01 0.000485 0.000060 True native_MD 4 338 344 + H_AB42_40 O_AB42_40 1 0.000000e+00 1.571574e-08 ; 1.993072e-01 -1.571574e-08 4.836409e-01 4.964852e-01 0.000485 0.000060 True native_MD 4 338 344 H_AB42_40 H_AB42_41 1 0.000000e+00 1.267390e-08 ; 1.957661e-01 -1.267390e-08 2.207033e-01 2.768618e-01 0.000485 0.000060 True native_MD 5 338 346 H_AB42_40 O_AB42_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 353 H_AB42_40 H_AB42_42 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 355 H_AB42_40 O1_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 359 H_AB42_40 O2_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 360 - CA_AB42_40 CB_AB42_41 1 0.000000e+00 6.555523e-05 ; 3.992200e-01 -6.555523e-05 1.000000e+00 9.999922e-01 0.000485 0.000060 True native_MD 4 339 348 - CA_AB42_40 CG1_AB42_41 1 0.000000e+00 3.172473e-05 ; 3.757897e-01 -3.172473e-05 9.177679e-01 9.149729e-01 0.000485 0.000060 True native_MD 5 339 349 - CA_AB42_40 CG2_AB42_41 1 0.000000e+00 2.566423e-05 ; 3.692091e-01 -2.566423e-05 4.769958e-01 5.581453e-01 0.000485 0.000060 True native_MD 5 339 350 - CA_AB42_40 CD_AB42_41 1 0.000000e+00 2.134096e-05 ; 3.635768e-01 -2.134096e-05 3.598026e-01 2.588270e-01 0.000485 0.000060 True native_MD 6 339 351 - CA_AB42_40 C_AB42_41 1 0.000000e+00 1.305187e-05 ; 3.489804e-01 -1.305187e-05 9.999995e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 339 352 - CA_AB42_40 O_AB42_41 1 0.000000e+00 3.488757e-06 ; 3.126446e-01 -3.488757e-06 7.844652e-01 6.244222e-01 0.000485 0.000060 True native_MD 5 339 353 - CA_AB42_40 N_AB42_42 1 0.000000e+00 7.373952e-06 ; 3.327643e-01 -7.373952e-06 5.450006e-01 5.184603e-01 0.000485 0.000060 True native_MD 5 339 354 - CA_AB42_40 CA_AB42_42 1 0.000000e+00 6.287882e-05 ; 3.978357e-01 -6.287882e-05 5.568123e-01 5.159780e-01 0.000485 0.000060 True native_MD 6 339 356 + CA_AB42_40 CB_AB42_41 1 0.000000e+00 6.555571e-05 ; 3.992202e-01 -6.555571e-05 1.000000e+00 9.999922e-01 0.000485 0.000060 True native_MD 4 339 348 + CA_AB42_40 CG1_AB42_41 1 0.000000e+00 3.172460e-05 ; 3.757895e-01 -3.172460e-05 9.177679e-01 9.149729e-01 0.000485 0.000060 True native_MD 5 339 349 + CA_AB42_40 CG2_AB42_41 1 0.000000e+00 2.566422e-05 ; 3.692090e-01 -2.566422e-05 4.769958e-01 5.581453e-01 0.000485 0.000060 True native_MD 5 339 350 + CA_AB42_40 CD_AB42_41 1 0.000000e+00 2.134095e-05 ; 3.635768e-01 -2.134095e-05 3.598026e-01 2.588270e-01 0.000485 0.000060 True native_MD 6 339 351 + CA_AB42_40 C_AB42_41 1 0.000000e+00 1.305180e-05 ; 3.489803e-01 -1.305180e-05 9.999995e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 339 352 + CA_AB42_40 O_AB42_41 1 0.000000e+00 3.488785e-06 ; 3.126448e-01 -3.488785e-06 7.844652e-01 6.244222e-01 0.000485 0.000060 True native_MD 5 339 353 + CA_AB42_40 N_AB42_42 1 0.000000e+00 7.373941e-06 ; 3.327642e-01 -7.373941e-06 5.450006e-01 5.184603e-01 0.000485 0.000060 True native_MD 5 339 354 + CA_AB42_40 CA_AB42_42 1 0.000000e+00 6.287928e-05 ; 3.978359e-01 -6.287928e-05 5.568123e-01 5.159780e-01 0.000485 0.000060 True native_MD 6 339 356 CA_AB42_40 CB_AB42_42 1 7.653586e-03 1.178780e-04 ; 4.988017e-01 1.242331e-01 1.473974e-01 1.158514e-01 0.000485 0.001932 True native_MD 7 339 357 - CA_AB42_40 C_AB42_42 1 0.000000e+00 1.360281e-05 ; 3.501849e-01 -1.360281e-05 1.937547e-02 6.158735e-02 0.000485 0.001339 True native_MD 7 339 358 + CA_AB42_40 C_AB42_42 1 0.000000e+00 1.360274e-05 ; 3.501847e-01 -1.360274e-05 1.937547e-02 6.158735e-02 0.000485 0.001339 True native_MD 7 339 358 CA_AB42_40 O1_AB42_42 1 2.237731e-03 1.179794e-05 ; 4.171892e-01 1.061084e-01 6.162587e-03 5.772406e-03 0.000485 0.001339 True native_MD 7 339 359 CA_AB42_40 O2_AB42_42 1 2.237731e-03 1.179794e-05 ; 4.171892e-01 1.061084e-01 6.162587e-03 5.772406e-03 0.000485 0.001339 True native_MD 7 339 360 - CB_AB42_40 C_AB42_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 343 + CB_AB42_40 C_AB42_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 343 CB_AB42_40 O_AB42_40 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 344 - CB_AB42_40 N_AB42_41 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 345 - CB_AB42_40 CA_AB42_41 1 0.000000e+00 6.555607e-05 ; 3.992204e-01 -6.555607e-05 9.999949e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 340 347 - CB_AB42_40 CB_AB42_41 1 0.000000e+00 6.545377e-05 ; 3.991685e-01 -6.545377e-05 9.999929e-01 9.984375e-01 0.000485 0.000060 True native_MD 5 340 348 - CB_AB42_40 CG1_AB42_41 1 0.000000e+00 3.420351e-05 ; 3.781530e-01 -3.420351e-05 4.988514e-01 5.739718e-01 0.000485 0.000060 True native_MD 6 340 349 - CB_AB42_40 CG2_AB42_41 1 0.000000e+00 2.354615e-05 ; 3.665684e-01 -2.354615e-05 2.221065e-01 2.140281e-01 0.000485 0.000060 True native_MD 6 340 350 + CB_AB42_40 N_AB42_41 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 345 + CB_AB42_40 CA_AB42_41 1 0.000000e+00 6.555656e-05 ; 3.992207e-01 -6.555656e-05 9.999949e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 340 347 + CB_AB42_40 CB_AB42_41 1 0.000000e+00 6.545426e-05 ; 3.991687e-01 -6.545426e-05 9.999929e-01 9.984375e-01 0.000485 0.000060 True native_MD 5 340 348 + CB_AB42_40 CG1_AB42_41 1 0.000000e+00 3.420336e-05 ; 3.781529e-01 -3.420336e-05 4.988514e-01 5.739718e-01 0.000485 0.000060 True native_MD 6 340 349 + CB_AB42_40 CG2_AB42_41 1 0.000000e+00 2.354613e-05 ; 3.665684e-01 -2.354613e-05 2.221065e-01 2.140281e-01 0.000485 0.000060 True native_MD 6 340 350 CB_AB42_40 CD_AB42_41 1 3.039993e-03 1.892288e-05 ; 4.288965e-01 1.220950e-01 9.802470e-02 8.213636e-02 0.000485 0.001932 True native_MD 7 340 351 - CB_AB42_40 C_AB42_41 1 0.000000e+00 1.156905e-05 ; 3.454908e-01 -1.156905e-05 8.681011e-01 7.544914e-01 0.000485 0.000060 True native_MD 5 340 352 - CB_AB42_40 O_AB42_41 1 0.000000e+00 3.862083e-06 ; 3.153045e-01 -3.862083e-06 3.916998e-01 3.215392e-01 0.000485 0.000060 True native_MD 6 340 353 - CB_AB42_40 N_AB42_42 1 0.000000e+00 7.840955e-06 ; 3.344715e-01 -7.840955e-06 2.192899e-01 2.544002e-01 0.000485 0.000060 True native_MD 6 340 354 + CB_AB42_40 C_AB42_41 1 0.000000e+00 1.156899e-05 ; 3.454906e-01 -1.156899e-05 8.681011e-01 7.544914e-01 0.000485 0.000060 True native_MD 5 340 352 + CB_AB42_40 O_AB42_41 1 0.000000e+00 3.862114e-06 ; 3.153047e-01 -3.862114e-06 3.916998e-01 3.215392e-01 0.000485 0.000060 True native_MD 6 340 353 + CB_AB42_40 N_AB42_42 1 0.000000e+00 7.840943e-06 ; 3.344714e-01 -7.840943e-06 2.192899e-01 2.544002e-01 0.000485 0.000060 True native_MD 6 340 354 CB_AB42_40 CA_AB42_42 1 7.205277e-03 1.400647e-04 ; 5.185369e-01 9.266434e-02 3.547275e-01 3.275358e-01 0.000485 0.000883 True native_MD 7 340 356 CB_AB42_40 CB_AB42_42 1 4.711165e-03 4.500109e-05 ; 4.606267e-01 1.233030e-01 1.747940e-01 1.412623e-01 0.000485 0.001932 True native_MD 7 340 357 - CB_AB42_40 C_AB42_42 1 0.000000e+00 1.415897e-05 ; 3.513562e-01 -1.415897e-05 2.856241e-02 1.133861e-01 0.000485 0.000060 True native_MD 7 340 358 - CB_AB42_40 O1_AB42_42 1 0.000000e+00 3.348024e-06 ; 3.115736e-01 -3.348024e-06 1.434388e-02 1.012475e-02 0.000485 0.000060 True native_MD 7 340 359 - CB_AB42_40 O2_AB42_42 1 0.000000e+00 3.348024e-06 ; 3.115736e-01 -3.348024e-06 1.434388e-02 1.012475e-02 0.000485 0.000060 True native_MD 7 340 360 -CG1_AB42_40 C_AB42_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 343 + CB_AB42_40 C_AB42_42 1 0.000000e+00 1.415890e-05 ; 3.513561e-01 -1.415890e-05 2.856241e-02 1.133861e-01 0.000485 0.000060 True native_MD 7 340 358 + CB_AB42_40 O1_AB42_42 1 0.000000e+00 3.348051e-06 ; 3.115739e-01 -3.348051e-06 1.434388e-02 1.012475e-02 0.000485 0.000060 True native_MD 7 340 359 + CB_AB42_40 O2_AB42_42 1 0.000000e+00 3.348051e-06 ; 3.115739e-01 -3.348051e-06 1.434388e-02 1.012475e-02 0.000485 0.000060 True native_MD 7 340 360 +CG1_AB42_40 C_AB42_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 343 CG1_AB42_40 O_AB42_40 1 0.000000e+00 1.380825e-06 ; 2.894054e-01 -1.380825e-06 9.651305e-01 8.832375e-01 0.000485 0.000060 True native_MD 4 341 344 -CG1_AB42_40 N_AB42_41 1 0.000000e+00 2.682119e-06 ; 3.058686e-01 -2.682119e-06 9.945950e-01 9.724264e-01 0.000485 0.000060 True native_MD 4 341 345 -CG1_AB42_40 CA_AB42_41 1 0.000000e+00 2.001698e-05 ; 3.616415e-01 -2.001698e-05 8.918712e-01 7.351206e-01 0.000485 0.000060 True native_MD 5 341 347 -CG1_AB42_40 CB_AB42_41 1 0.000000e+00 1.842887e-05 ; 3.591588e-01 -1.842887e-05 5.337866e-01 3.101341e-01 0.000485 0.000060 True native_MD 6 341 348 +CG1_AB42_40 N_AB42_41 1 0.000000e+00 2.682094e-06 ; 3.058683e-01 -2.682094e-06 9.945950e-01 9.724264e-01 0.000485 0.000060 True native_MD 4 341 345 +CG1_AB42_40 CA_AB42_41 1 0.000000e+00 2.001697e-05 ; 3.616414e-01 -2.001697e-05 8.918712e-01 7.351206e-01 0.000485 0.000060 True native_MD 5 341 347 +CG1_AB42_40 CB_AB42_41 1 0.000000e+00 1.842886e-05 ; 3.591588e-01 -1.842886e-05 5.337866e-01 3.101341e-01 0.000485 0.000060 True native_MD 6 341 348 CG1_AB42_40 CG1_AB42_41 1 1.534697e-03 4.901127e-06 ; 3.837475e-01 1.201405e-01 1.280769e-01 1.373052e-01 0.000485 0.002332 True native_MD 7 341 349 CG1_AB42_40 CG2_AB42_41 1 1.908282e-03 5.753189e-06 ; 3.800823e-01 1.582400e-01 8.017961e-02 6.264113e-02 0.000485 0.005315 True native_MD 7 341 350 CG1_AB42_40 CD_AB42_41 1 1.825433e-03 5.104203e-06 ; 3.753419e-01 1.632089e-01 5.871392e-02 3.953283e-02 0.000485 0.005315 True native_MD 7 341 351 -CG1_AB42_40 C_AB42_41 1 0.000000e+00 3.539221e-06 ; 3.130190e-01 -3.539221e-06 5.496873e-01 2.985520e-01 0.000485 0.000060 True native_MD 6 341 352 +CG1_AB42_40 C_AB42_41 1 0.000000e+00 3.539175e-06 ; 3.130186e-01 -3.539175e-06 5.496873e-01 2.985520e-01 0.000485 0.000060 True native_MD 6 341 352 CG1_AB42_40 O_AB42_41 1 6.594674e-04 8.576932e-07 ; 3.303871e-01 1.267636e-01 3.845352e-01 1.726227e-01 0.000485 0.001191 True native_MD 7 341 353 -CG1_AB42_40 N_AB42_42 1 0.000000e+00 2.513102e-06 ; 3.042140e-01 -2.513102e-06 2.145172e-01 1.307293e-01 0.000485 0.000060 True native_MD 7 341 354 +CG1_AB42_40 N_AB42_42 1 0.000000e+00 2.513078e-06 ; 3.042137e-01 -2.513078e-06 2.145172e-01 1.307293e-01 0.000485 0.000060 True native_MD 7 341 354 CG1_AB42_40 CA_AB42_42 1 3.490369e-03 2.235354e-05 ; 4.309357e-01 1.362499e-01 3.435327e-01 1.884520e-01 0.000485 0.001932 True native_MD 7 341 356 CG1_AB42_40 CB_AB42_42 1 1.822462e-03 4.810886e-06 ; 3.717587e-01 1.725964e-01 2.012866e-01 1.023353e-01 0.000485 0.005315 True native_MD 7 341 357 -CG1_AB42_40 C_AB42_42 1 0.000000e+00 4.860461e-06 ; 3.214041e-01 -4.860461e-06 4.790105e-02 7.632714e-02 0.000485 0.000060 True native_MD 7 341 358 -CG1_AB42_40 O1_AB42_42 1 0.000000e+00 1.195804e-06 ; 2.859565e-01 -1.195804e-06 2.705691e-02 9.265136e-03 0.000485 0.000060 True native_MD 7 341 359 -CG1_AB42_40 O2_AB42_42 1 0.000000e+00 1.195804e-06 ; 2.859565e-01 -1.195804e-06 2.705691e-02 9.265136e-03 0.000485 0.000060 True native_MD 7 341 360 -CG2_AB42_40 C_AB42_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 342 343 -CG2_AB42_40 O_AB42_40 1 0.000000e+00 1.445499e-06 ; 2.905114e-01 -1.445499e-06 9.725879e-01 9.336966e-01 0.000485 0.000060 True native_MD 4 342 344 -CG2_AB42_40 N_AB42_41 1 0.000000e+00 2.695187e-06 ; 3.059925e-01 -2.695187e-06 9.829257e-01 9.655212e-01 0.000485 0.000060 True native_MD 4 342 345 -CG2_AB42_40 CA_AB42_41 1 0.000000e+00 2.762782e-05 ; 3.714844e-01 -2.762782e-05 5.012232e-01 6.650923e-01 0.000485 0.000060 True native_MD 5 342 347 -CG2_AB42_40 CB_AB42_41 1 0.000000e+00 2.483920e-05 ; 3.682051e-01 -2.483920e-05 2.054259e-01 2.518196e-01 0.000485 0.000060 True native_MD 6 342 348 +CG1_AB42_40 C_AB42_42 1 0.000000e+00 4.860397e-06 ; 3.214038e-01 -4.860397e-06 4.790105e-02 7.632714e-02 0.000485 0.000060 True native_MD 7 341 358 +CG1_AB42_40 O1_AB42_42 1 0.000000e+00 1.195805e-06 ; 2.859565e-01 -1.195805e-06 2.705691e-02 9.265136e-03 0.000485 0.000060 True native_MD 7 341 359 +CG1_AB42_40 O2_AB42_42 1 0.000000e+00 1.195805e-06 ; 2.859565e-01 -1.195805e-06 2.705691e-02 9.265136e-03 0.000485 0.000060 True native_MD 7 341 360 +CG2_AB42_40 C_AB42_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 342 343 +CG2_AB42_40 O_AB42_40 1 0.000000e+00 1.445500e-06 ; 2.905114e-01 -1.445500e-06 9.725879e-01 9.336966e-01 0.000485 0.000060 True native_MD 4 342 344 +CG2_AB42_40 N_AB42_41 1 0.000000e+00 2.695161e-06 ; 3.059922e-01 -2.695161e-06 9.829257e-01 9.655212e-01 0.000485 0.000060 True native_MD 4 342 345 +CG2_AB42_40 CA_AB42_41 1 0.000000e+00 2.762781e-05 ; 3.714844e-01 -2.762781e-05 5.012232e-01 6.650923e-01 0.000485 0.000060 True native_MD 5 342 347 +CG2_AB42_40 CB_AB42_41 1 0.000000e+00 2.483919e-05 ; 3.682051e-01 -2.483919e-05 2.054259e-01 2.518196e-01 0.000485 0.000060 True native_MD 6 342 348 CG2_AB42_40 CG1_AB42_41 1 1.314790e-03 4.119637e-06 ; 3.825314e-01 1.049044e-01 8.564492e-02 1.448558e-01 0.000485 0.002332 True native_MD 7 342 349 CG2_AB42_40 CG2_AB42_41 1 1.711421e-03 4.999681e-06 ; 3.780921e-01 1.464574e-01 6.005448e-02 6.675372e-02 0.000485 0.005315 True native_MD 7 342 350 CG2_AB42_40 CD_AB42_41 1 1.627753e-03 4.771413e-06 ; 3.783059e-01 1.388257e-01 3.639435e-02 5.083367e-02 0.000485 0.005315 True native_MD 7 342 351 -CG2_AB42_40 C_AB42_41 1 0.000000e+00 4.960231e-06 ; 3.219488e-01 -4.960231e-06 1.630210e-01 2.125575e-01 0.000485 0.000060 True native_MD 6 342 352 +CG2_AB42_40 C_AB42_41 1 0.000000e+00 4.960166e-06 ; 3.219485e-01 -4.960166e-06 1.630210e-01 2.125575e-01 0.000485 0.000060 True native_MD 6 342 352 CG2_AB42_40 O_AB42_41 1 5.921273e-04 8.801442e-07 ; 3.378234e-01 9.959014e-02 1.191985e-01 1.206695e-01 0.000485 0.001191 True native_MD 7 342 353 -CG2_AB42_40 N_AB42_42 1 0.000000e+00 2.872639e-06 ; 3.076227e-01 -2.872639e-06 5.144426e-02 9.873419e-02 0.000485 0.000060 True native_MD 7 342 354 +CG2_AB42_40 N_AB42_42 1 0.000000e+00 2.872612e-06 ; 3.076225e-01 -2.872612e-06 5.144426e-02 9.873419e-02 0.000485 0.000060 True native_MD 7 342 354 CG2_AB42_40 CA_AB42_42 1 3.290440e-03 2.656061e-05 ; 4.478824e-01 1.019084e-01 9.463574e-02 1.450819e-01 0.000485 0.001932 True native_MD 7 342 356 CG2_AB42_40 CB_AB42_42 1 1.592913e-03 4.570090e-06 ; 3.769544e-01 1.388031e-01 5.273017e-02 7.370051e-02 0.000485 0.005315 True native_MD 7 342 357 -CG2_AB42_40 C_AB42_42 1 0.000000e+00 4.991470e-06 ; 3.221173e-01 -4.991470e-06 8.056430e-03 6.420276e-02 0.000485 0.000060 True native_MD 7 342 358 +CG2_AB42_40 C_AB42_42 1 0.000000e+00 4.991404e-06 ; 3.221169e-01 -4.991404e-06 8.056430e-03 6.420276e-02 0.000485 0.000060 True native_MD 7 342 358 CG2_AB42_40 O1_AB42_42 1 0.000000e+00 1.221115e-06 ; 2.864561e-01 -1.221115e-06 4.824327e-03 7.822211e-03 0.000485 0.000060 True native_MD 7 342 359 CG2_AB42_40 O2_AB42_42 1 0.000000e+00 1.221115e-06 ; 2.864561e-01 -1.221115e-06 4.824327e-03 7.822211e-03 0.000485 0.000060 True native_MD 7 342 360 - C_AB42_40 CB_AB42_41 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 343 348 - C_AB42_40 CG1_AB42_41 1 0.000000e+00 6.332036e-06 ; 3.285668e-01 -6.332036e-06 9.999771e-01 9.996731e-01 0.000485 0.000060 True native_MD 4 343 349 - C_AB42_40 CG2_AB42_41 1 0.000000e+00 4.662165e-06 ; 3.202904e-01 -4.662165e-06 9.978909e-01 9.843595e-01 0.000485 0.000060 True native_MD 4 343 350 - C_AB42_40 CD_AB42_41 1 0.000000e+00 4.241777e-06 ; 3.177781e-01 -4.241777e-06 4.134292e-01 3.109479e-01 0.000485 0.000060 True native_MD 5 343 351 - C_AB42_40 O_AB42_41 1 0.000000e+00 7.976153e-07 ; 2.764677e-01 -7.976153e-07 9.515772e-01 9.161122e-01 0.000485 0.000060 True native_MD 4 343 353 - C_AB42_40 N_AB42_42 1 0.000000e+00 1.483164e-06 ; 2.911348e-01 -1.483164e-06 9.886094e-01 9.720429e-01 0.000485 0.000060 True native_MD 4 343 354 - C_AB42_40 CA_AB42_42 1 0.000000e+00 1.231593e-05 ; 3.472967e-01 -1.231593e-05 8.978008e-01 8.414152e-01 0.000485 0.000060 True native_MD 5 343 356 - C_AB42_40 CB_AB42_42 1 0.000000e+00 4.406129e-06 ; 3.187864e-01 -4.406129e-06 2.299022e-01 1.621962e-01 0.000485 0.000060 True native_MD 6 343 357 - C_AB42_40 C_AB42_42 1 0.000000e+00 2.736742e-06 ; 3.063829e-01 -2.736742e-06 3.071558e-02 8.388782e-02 0.000485 0.000060 True native_MD 6 343 358 + C_AB42_40 CB_AB42_41 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 343 348 + C_AB42_40 CG1_AB42_41 1 0.000000e+00 6.331929e-06 ; 3.285663e-01 -6.331929e-06 9.999771e-01 9.996731e-01 0.000485 0.000060 True native_MD 4 343 349 + C_AB42_40 CG2_AB42_41 1 0.000000e+00 4.662104e-06 ; 3.202901e-01 -4.662104e-06 9.978909e-01 9.843595e-01 0.000485 0.000060 True native_MD 4 343 350 + C_AB42_40 CD_AB42_41 1 0.000000e+00 4.241722e-06 ; 3.177778e-01 -4.241722e-06 4.134292e-01 3.109479e-01 0.000485 0.000060 True native_MD 5 343 351 + C_AB42_40 O_AB42_41 1 0.000000e+00 7.976116e-07 ; 2.764676e-01 -7.976116e-07 9.515772e-01 9.161122e-01 0.000485 0.000060 True native_MD 4 343 353 + C_AB42_40 N_AB42_42 1 0.000000e+00 1.483143e-06 ; 2.911344e-01 -1.483143e-06 9.886094e-01 9.720429e-01 0.000485 0.000060 True native_MD 4 343 354 + C_AB42_40 CA_AB42_42 1 0.000000e+00 1.231586e-05 ; 3.472965e-01 -1.231586e-05 8.978008e-01 8.414152e-01 0.000485 0.000060 True native_MD 5 343 356 + C_AB42_40 CB_AB42_42 1 0.000000e+00 4.406072e-06 ; 3.187860e-01 -4.406072e-06 2.299022e-01 1.621962e-01 0.000485 0.000060 True native_MD 6 343 357 + C_AB42_40 C_AB42_42 1 0.000000e+00 2.736693e-06 ; 3.063824e-01 -2.736693e-06 3.071558e-02 8.388782e-02 0.000485 0.000060 True native_MD 6 343 358 C_AB42_40 O1_AB42_42 1 9.806077e-04 2.026184e-06 ; 3.568869e-01 1.186456e-01 5.564654e-03 5.794683e-03 0.000485 0.002166 True native_MD 7 343 359 C_AB42_40 O2_AB42_42 1 9.806077e-04 2.026184e-06 ; 3.568869e-01 1.186456e-01 5.564654e-03 5.794683e-03 0.000485 0.002166 True native_MD 7 343 360 O_AB42_40 O_AB42_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 344 344 O_AB42_40 H_AB42_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 344 346 - O_AB42_40 CB_AB42_41 1 0.000000e+00 4.153495e-06 ; 3.172216e-01 -4.153495e-06 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 344 348 - O_AB42_40 CG1_AB42_41 1 0.000000e+00 1.831442e-06 ; 2.962973e-01 -1.831442e-06 6.172584e-01 5.258666e-01 0.000485 0.000060 True native_MD 5 344 349 + O_AB42_40 CB_AB42_41 1 0.000000e+00 4.153528e-06 ; 3.172218e-01 -4.153528e-06 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 344 348 + O_AB42_40 CG1_AB42_41 1 0.000000e+00 1.831435e-06 ; 2.962973e-01 -1.831435e-06 6.172584e-01 5.258666e-01 0.000485 0.000060 True native_MD 5 344 349 O_AB42_40 CG2_AB42_41 1 0.000000e+00 1.545404e-06 ; 2.921338e-01 -1.545404e-06 3.599492e-01 3.874839e-01 0.000485 0.000060 True native_MD 5 344 350 O_AB42_40 CD_AB42_41 1 0.000000e+00 1.284878e-06 ; 2.876737e-01 -1.284878e-06 2.529646e-01 1.072762e-01 0.000485 0.000060 True native_MD 6 344 351 - O_AB42_40 C_AB42_41 1 0.000000e+00 8.236944e-07 ; 2.772100e-01 -8.236944e-07 9.999171e-01 9.959888e-01 0.000485 0.000060 True native_MD 4 344 352 + O_AB42_40 C_AB42_41 1 0.000000e+00 8.236906e-07 ; 2.772099e-01 -8.236906e-07 9.999171e-01 9.959888e-01 0.000485 0.000060 True native_MD 4 344 352 O_AB42_40 O_AB42_41 1 0.000000e+00 1.413782e-06 ; 2.899748e-01 -1.413782e-06 8.858906e-01 8.284121e-01 0.000485 0.000060 True native_MD 5 344 353 O_AB42_40 N_AB42_42 1 0.000000e+00 1.435995e-06 ; 2.903517e-01 -1.435995e-06 9.416913e-01 8.990214e-01 0.000485 0.000060 True native_MD 5 344 354 - O_AB42_40 H_AB42_42 1 0.000000e+00 1.399203e-08 ; 1.973869e-01 -1.399203e-08 2.273495e-01 1.291185e-01 0.000485 0.000060 True native_MD 6 344 355 - O_AB42_40 CA_AB42_42 1 0.000000e+00 3.532386e-06 ; 3.129685e-01 -3.532386e-06 6.604677e-01 5.109290e-01 0.000485 0.000060 True native_MD 6 344 356 + O_AB42_40 H_AB42_42 1 0.000000e+00 1.399225e-08 ; 1.973872e-01 -1.399225e-08 2.273495e-01 1.291185e-01 0.000485 0.000060 True native_MD 6 344 355 + O_AB42_40 CA_AB42_42 1 0.000000e+00 3.532414e-06 ; 3.129687e-01 -3.532414e-06 6.604677e-01 5.109290e-01 0.000485 0.000060 True native_MD 6 344 356 O_AB42_40 CB_AB42_42 1 1.170541e-03 2.812434e-06 ; 3.659732e-01 1.217955e-01 2.462405e-01 1.282598e-01 0.000485 0.001191 True native_MD 7 344 357 O_AB42_40 C_AB42_42 1 1.021748e-03 2.629074e-06 ; 3.701773e-01 9.927161e-02 1.975613e-02 3.673572e-02 0.000485 0.002166 True native_MD 7 344 358 O_AB42_40 O1_AB42_42 1 0.000000e+00 1.464528e-06 ; 2.908282e-01 -1.464528e-06 3.543281e-02 1.178490e-02 0.000485 0.000060 True native_MD 7 344 359 O_AB42_40 O2_AB42_42 1 0.000000e+00 1.464528e-06 ; 2.908282e-01 -1.464528e-06 3.543281e-02 1.178490e-02 0.000485 0.000060 True native_MD 7 344 360 - N_AB42_41 CB_AB42_41 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 345 348 - N_AB42_41 CG1_AB42_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 345 349 - N_AB42_41 CG2_AB42_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 345 350 - N_AB42_41 CD_AB42_41 1 0.000000e+00 2.704062e-06 ; 3.060763e-01 -2.704062e-06 9.625402e-01 9.483713e-01 0.000485 0.000060 True native_MD 4 345 351 - N_AB42_41 CA_AB42_42 1 0.000000e+00 7.574806e-06 ; 3.335103e-01 -7.574806e-06 9.999988e-01 9.999739e-01 0.000485 0.000060 True native_MD 4 345 356 - N_AB42_41 CB_AB42_42 1 0.000000e+00 2.798080e-06 ; 3.069493e-01 -2.798080e-06 1.802246e-01 2.003322e-01 0.000485 0.000060 True native_MD 5 345 357 - N_AB42_41 C_AB42_42 1 0.000000e+00 1.560985e-06 ; 2.923781e-01 -1.560985e-06 2.788207e-02 6.291576e-02 0.000485 0.000060 True native_MD 5 345 358 + N_AB42_41 CB_AB42_41 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 345 348 + N_AB42_41 CG1_AB42_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 345 349 + N_AB42_41 CG2_AB42_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 345 350 + N_AB42_41 CD_AB42_41 1 0.000000e+00 2.704036e-06 ; 3.060761e-01 -2.704036e-06 9.625402e-01 9.483713e-01 0.000485 0.000060 True native_MD 4 345 351 + N_AB42_41 CA_AB42_42 1 0.000000e+00 7.574794e-06 ; 3.335103e-01 -7.574794e-06 9.999988e-01 9.999739e-01 0.000485 0.000060 True native_MD 4 345 356 + N_AB42_41 CB_AB42_42 1 0.000000e+00 2.798053e-06 ; 3.069491e-01 -2.798053e-06 1.802246e-01 2.003322e-01 0.000485 0.000060 True native_MD 5 345 357 + N_AB42_41 C_AB42_42 1 0.000000e+00 1.560963e-06 ; 2.923778e-01 -1.560963e-06 2.788207e-02 6.291576e-02 0.000485 0.000060 True native_MD 5 345 358 N_AB42_41 O1_AB42_42 1 0.000000e+00 1.491629e-06 ; 2.912729e-01 -1.491629e-06 1.746413e-02 1.188327e-02 0.000485 0.000060 True native_MD 6 345 359 N_AB42_41 O2_AB42_42 1 0.000000e+00 1.491629e-06 ; 2.912729e-01 -1.491629e-06 1.746413e-02 1.188327e-02 0.000485 0.000060 True native_MD 6 345 360 H_AB42_41 H_AB42_41 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 346 - H_AB42_41 O_AB42_41 1 0.000000e+00 1.410351e-08 ; 1.975175e-01 -1.410351e-08 5.788424e-01 4.877960e-01 0.000485 0.000060 True native_MD 4 346 353 + H_AB42_41 O_AB42_41 1 0.000000e+00 1.410373e-08 ; 1.975178e-01 -1.410373e-08 5.788424e-01 4.877960e-01 0.000485 0.000060 True native_MD 4 346 353 H_AB42_41 H_AB42_42 1 0.000000e+00 1.402432e-08 ; 1.974248e-01 -1.402432e-08 1.192042e-01 2.878974e-01 0.000485 0.000060 True native_MD 5 346 355 H_AB42_41 O1_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 359 H_AB42_41 O2_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 360 - CA_AB42_41 CB_AB42_42 1 0.000000e+00 2.373791e-05 ; 3.668162e-01 -2.373791e-05 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 347 357 - CA_AB42_41 C_AB42_42 1 0.000000e+00 1.305187e-05 ; 3.489804e-01 -1.305187e-05 9.999993e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 347 358 - CA_AB42_41 O1_AB42_42 1 0.000000e+00 2.300797e-06 ; 3.019846e-01 -2.300797e-06 3.822604e-01 6.657150e-02 0.000485 0.000060 True native_MD 5 347 359 - CA_AB42_41 O2_AB42_42 1 0.000000e+00 2.300797e-06 ; 3.019846e-01 -2.300797e-06 3.822604e-01 6.657150e-02 0.000485 0.000060 True native_MD 5 347 360 - CB_AB42_41 C_AB42_41 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 348 352 + CA_AB42_41 CB_AB42_42 1 0.000000e+00 2.373790e-05 ; 3.668162e-01 -2.373790e-05 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 347 357 + CA_AB42_41 C_AB42_42 1 0.000000e+00 1.305181e-05 ; 3.489803e-01 -1.305181e-05 9.999993e-01 1.000000e+00 0.000485 0.000060 True native_MD 4 347 358 + CA_AB42_41 O1_AB42_42 1 0.000000e+00 2.300816e-06 ; 3.019849e-01 -2.300816e-06 3.822604e-01 6.657150e-02 0.000485 0.000060 True native_MD 5 347 359 + CA_AB42_41 O2_AB42_42 1 0.000000e+00 2.300816e-06 ; 3.019849e-01 -2.300816e-06 3.822604e-01 6.657150e-02 0.000485 0.000060 True native_MD 5 347 360 + CB_AB42_41 C_AB42_41 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 348 352 CB_AB42_41 O_AB42_41 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 348 353 - CB_AB42_41 N_AB42_42 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 348 354 - CB_AB42_41 CA_AB42_42 1 0.000000e+00 6.555574e-05 ; 3.992202e-01 -6.555574e-05 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 348 356 - CB_AB42_41 CB_AB42_42 1 0.000000e+00 2.394789e-05 ; 3.670855e-01 -2.394789e-05 8.308185e-01 8.396644e-01 0.000485 0.000060 True native_MD 5 348 357 - CB_AB42_41 C_AB42_42 1 0.000000e+00 1.115858e-05 ; 3.444523e-01 -1.115858e-05 8.497683e-01 7.047100e-01 0.000485 0.000060 True native_MD 5 348 358 - CB_AB42_41 O1_AB42_42 1 0.000000e+00 2.916117e-06 ; 3.080081e-01 -2.916117e-06 1.614996e-01 2.882135e-02 0.000485 0.000060 True native_MD 6 348 359 - CB_AB42_41 O2_AB42_42 1 0.000000e+00 2.916117e-06 ; 3.080081e-01 -2.916117e-06 1.614996e-01 2.882135e-02 0.000485 0.000060 True native_MD 6 348 360 -CG1_AB42_41 C_AB42_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 349 352 -CG1_AB42_41 O_AB42_41 1 0.000000e+00 1.950101e-06 ; 2.978515e-01 -1.950101e-06 9.968251e-01 9.643021e-01 0.000485 0.000060 True native_MD 4 349 353 -CG1_AB42_41 N_AB42_42 1 0.000000e+00 3.667321e-06 ; 3.139478e-01 -3.667321e-06 9.924242e-01 9.900410e-01 0.000485 0.000060 True native_MD 4 349 354 -CG1_AB42_41 CA_AB42_42 1 0.000000e+00 3.350020e-05 ; 3.774988e-01 -3.350020e-05 6.994262e-01 7.524395e-01 0.000485 0.000060 True native_MD 5 349 356 -CG1_AB42_41 CB_AB42_42 1 0.000000e+00 1.181776e-05 ; 3.461037e-01 -1.181776e-05 1.208396e-01 1.467040e-01 0.000485 0.000060 True native_MD 6 349 357 -CG1_AB42_41 C_AB42_42 1 0.000000e+00 6.092973e-06 ; 3.275147e-01 -6.092973e-06 2.287270e-01 1.906800e-01 0.000485 0.000060 True native_MD 6 349 358 -CG1_AB42_41 O1_AB42_42 1 0.000000e+00 1.533773e-06 ; 2.919500e-01 -1.533773e-06 7.126383e-02 1.127590e-02 0.000485 0.000060 True native_MD 7 349 359 -CG1_AB42_41 O2_AB42_42 1 0.000000e+00 1.533773e-06 ; 2.919500e-01 -1.533773e-06 7.126383e-02 1.127590e-02 0.000485 0.000060 True native_MD 7 349 360 -CG2_AB42_41 C_AB42_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 350 352 + CB_AB42_41 N_AB42_42 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 348 354 + CB_AB42_41 CA_AB42_42 1 0.000000e+00 6.555622e-05 ; 3.992205e-01 -6.555622e-05 1.000000e+00 1.000000e+00 0.000485 0.000060 True native_MD 4 348 356 + CB_AB42_41 CB_AB42_42 1 0.000000e+00 2.394788e-05 ; 3.670855e-01 -2.394788e-05 8.308185e-01 8.396644e-01 0.000485 0.000060 True native_MD 5 348 357 + CB_AB42_41 C_AB42_42 1 0.000000e+00 1.115853e-05 ; 3.444522e-01 -1.115853e-05 8.497683e-01 7.047100e-01 0.000485 0.000060 True native_MD 5 348 358 + CB_AB42_41 O1_AB42_42 1 0.000000e+00 2.916141e-06 ; 3.080083e-01 -2.916141e-06 1.614996e-01 2.882135e-02 0.000485 0.000060 True native_MD 6 348 359 + CB_AB42_41 O2_AB42_42 1 0.000000e+00 2.916141e-06 ; 3.080083e-01 -2.916141e-06 1.614996e-01 2.882135e-02 0.000485 0.000060 True native_MD 6 348 360 +CG1_AB42_41 C_AB42_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 349 352 +CG1_AB42_41 O_AB42_41 1 0.000000e+00 1.950094e-06 ; 2.978514e-01 -1.950094e-06 9.968251e-01 9.643021e-01 0.000485 0.000060 True native_MD 4 349 353 +CG1_AB42_41 N_AB42_42 1 0.000000e+00 3.667273e-06 ; 3.139474e-01 -3.667273e-06 9.924242e-01 9.900410e-01 0.000485 0.000060 True native_MD 4 349 354 +CG1_AB42_41 CA_AB42_42 1 0.000000e+00 3.350006e-05 ; 3.774987e-01 -3.350006e-05 6.994262e-01 7.524395e-01 0.000485 0.000060 True native_MD 5 349 356 +CG1_AB42_41 CB_AB42_42 1 0.000000e+00 1.181762e-05 ; 3.461034e-01 -1.181762e-05 1.208396e-01 1.467040e-01 0.000485 0.000060 True native_MD 6 349 357 +CG1_AB42_41 C_AB42_42 1 0.000000e+00 6.092871e-06 ; 3.275142e-01 -6.092871e-06 2.287270e-01 1.906800e-01 0.000485 0.000060 True native_MD 6 349 358 +CG1_AB42_41 O1_AB42_42 1 0.000000e+00 1.533767e-06 ; 2.919499e-01 -1.533767e-06 7.126383e-02 1.127590e-02 0.000485 0.000060 True native_MD 7 349 359 +CG1_AB42_41 O2_AB42_42 1 0.000000e+00 1.533767e-06 ; 2.919499e-01 -1.533767e-06 7.126383e-02 1.127590e-02 0.000485 0.000060 True native_MD 7 349 360 +CG2_AB42_41 C_AB42_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 350 352 CG2_AB42_41 O_AB42_41 1 0.000000e+00 1.412031e-06 ; 2.899448e-01 -1.412031e-06 9.394355e-01 8.782909e-01 0.000485 0.000060 True native_MD 4 350 353 -CG2_AB42_41 N_AB42_42 1 0.000000e+00 2.696522e-06 ; 3.060051e-01 -2.696522e-06 9.906954e-01 9.737775e-01 0.000485 0.000060 True native_MD 4 350 354 -CG2_AB42_41 CA_AB42_42 1 0.000000e+00 2.133485e-05 ; 3.635681e-01 -2.133485e-05 8.762699e-01 7.750369e-01 0.000485 0.000060 True native_MD 5 350 356 -CG2_AB42_41 CB_AB42_42 1 0.000000e+00 9.133715e-06 ; 3.387523e-01 -9.133715e-06 1.044067e-01 1.670149e-01 0.000485 0.000060 True native_MD 6 350 357 -CG2_AB42_41 C_AB42_42 1 0.000000e+00 3.707882e-06 ; 3.142357e-01 -3.707882e-06 4.904065e-01 2.749582e-01 0.000485 0.000060 True native_MD 6 350 358 +CG2_AB42_41 N_AB42_42 1 0.000000e+00 2.696496e-06 ; 3.060049e-01 -2.696496e-06 9.906954e-01 9.737775e-01 0.000485 0.000060 True native_MD 4 350 354 +CG2_AB42_41 CA_AB42_42 1 0.000000e+00 2.133484e-05 ; 3.635681e-01 -2.133484e-05 8.762699e-01 7.750369e-01 0.000485 0.000060 True native_MD 5 350 356 +CG2_AB42_41 CB_AB42_42 1 0.000000e+00 9.133638e-06 ; 3.387521e-01 -9.133638e-06 1.044067e-01 1.670149e-01 0.000485 0.000060 True native_MD 6 350 357 +CG2_AB42_41 C_AB42_42 1 0.000000e+00 3.707834e-06 ; 3.142353e-01 -3.707834e-06 4.904065e-01 2.749582e-01 0.000485 0.000060 True native_MD 6 350 358 CG2_AB42_41 O1_AB42_42 1 4.914637e-04 7.683308e-07 ; 3.406770e-01 7.859131e-02 1.603086e-01 1.525920e-02 0.000485 0.000060 True native_MD 7 350 359 CG2_AB42_41 O2_AB42_42 1 4.914637e-04 7.683308e-07 ; 3.406770e-01 7.859131e-02 1.603086e-01 1.525920e-02 0.000485 0.000060 True native_MD 7 350 360 - CD_AB42_41 C_AB42_41 1 0.000000e+00 4.588253e-06 ; 3.198642e-01 -4.588253e-06 9.687497e-01 9.395793e-01 0.000485 0.000060 True native_MD 4 351 352 + CD_AB42_41 C_AB42_41 1 0.000000e+00 4.588193e-06 ; 3.198638e-01 -4.588193e-06 9.687497e-01 9.395793e-01 0.000485 0.000060 True native_MD 4 351 352 CD_AB42_41 O_AB42_41 1 0.000000e+00 1.475274e-06 ; 2.910054e-01 -1.475274e-06 2.326658e-01 2.135717e-01 0.000485 0.000060 True native_MD 5 351 353 - CD_AB42_41 N_AB42_42 1 0.000000e+00 2.596847e-06 ; 3.050461e-01 -2.596847e-06 2.761131e-01 2.228564e-01 0.000485 0.000060 True native_MD 5 351 354 - CD_AB42_41 CA_AB42_42 1 0.000000e+00 2.239087e-05 ; 3.650348e-01 -2.239087e-05 2.206663e-01 1.639200e-01 0.000485 0.000060 True native_MD 6 351 356 + CD_AB42_41 N_AB42_42 1 0.000000e+00 2.596822e-06 ; 3.050459e-01 -2.596822e-06 2.761131e-01 2.228564e-01 0.000485 0.000060 True native_MD 5 351 354 + CD_AB42_41 CA_AB42_42 1 0.000000e+00 2.239086e-05 ; 3.650348e-01 -2.239086e-05 2.206663e-01 1.639200e-01 0.000485 0.000060 True native_MD 6 351 356 CD_AB42_41 CB_AB42_42 1 2.166566e-03 7.762436e-06 ; 3.911749e-01 1.511771e-01 1.945801e-02 1.877970e-02 0.000485 0.005315 True native_MD 7 351 357 - CD_AB42_41 C_AB42_42 1 0.000000e+00 4.576631e-06 ; 3.197966e-01 -4.576631e-06 5.730658e-02 2.567708e-02 0.000485 0.000060 True native_MD 7 351 358 - CD_AB42_41 O1_AB42_42 1 0.000000e+00 1.193391e-06 ; 2.859084e-01 -1.193391e-06 2.316594e-02 3.392366e-03 0.000485 0.000060 True native_MD 7 351 359 - CD_AB42_41 O2_AB42_42 1 0.000000e+00 1.193391e-06 ; 2.859084e-01 -1.193391e-06 2.316594e-02 3.392366e-03 0.000485 0.000060 True native_MD 7 351 360 - C_AB42_41 CB_AB42_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 357 - C_AB42_41 O1_AB42_42 1 0.000000e+00 4.536765e-07 ; 2.637691e-01 -4.536765e-07 8.736466e-01 5.513812e-01 0.000485 0.000060 True native_MD 4 352 359 - C_AB42_41 O2_AB42_42 1 0.000000e+00 4.536765e-07 ; 2.637691e-01 -4.536765e-07 8.736466e-01 5.513812e-01 0.000485 0.000060 True native_MD 4 352 360 + CD_AB42_41 C_AB42_42 1 0.000000e+00 4.576571e-06 ; 3.197962e-01 -4.576571e-06 5.730658e-02 2.567708e-02 0.000485 0.000060 True native_MD 7 351 358 + CD_AB42_41 O1_AB42_42 1 0.000000e+00 1.193392e-06 ; 2.859084e-01 -1.193392e-06 2.316594e-02 3.392366e-03 0.000485 0.000060 True native_MD 7 351 359 + CD_AB42_41 O2_AB42_42 1 0.000000e+00 1.193392e-06 ; 2.859084e-01 -1.193392e-06 2.316594e-02 3.392366e-03 0.000485 0.000060 True native_MD 7 351 360 + C_AB42_41 CB_AB42_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 357 + C_AB42_41 O1_AB42_42 1 0.000000e+00 4.536745e-07 ; 2.637690e-01 -4.536745e-07 8.736466e-01 5.513812e-01 0.000485 0.000060 True native_MD 4 352 359 + C_AB42_41 O2_AB42_42 1 0.000000e+00 4.536745e-07 ; 2.637690e-01 -4.536745e-07 8.736466e-01 5.513812e-01 0.000485 0.000060 True native_MD 4 352 360 O_AB42_41 O_AB42_41 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 353 O_AB42_41 H_AB42_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 355 - O_AB42_41 CB_AB42_42 1 0.000000e+00 1.503492e-06 ; 2.914652e-01 -1.503492e-06 9.999891e-01 9.996572e-01 0.000485 0.000060 True native_MD 4 353 357 - O_AB42_41 C_AB42_42 1 0.000000e+00 8.138115e-07 ; 2.769313e-01 -8.138115e-07 9.997111e-01 9.838317e-01 0.000485 0.000060 True native_MD 4 353 358 + O_AB42_41 CB_AB42_42 1 0.000000e+00 1.503493e-06 ; 2.914652e-01 -1.503493e-06 9.999891e-01 9.996572e-01 0.000485 0.000060 True native_MD 4 353 357 + O_AB42_41 C_AB42_42 1 0.000000e+00 8.138077e-07 ; 2.769312e-01 -8.138077e-07 9.997111e-01 9.838317e-01 0.000485 0.000060 True native_MD 4 353 358 O_AB42_41 O1_AB42_42 1 0.000000e+00 1.305212e-06 ; 2.880504e-01 -1.305212e-06 7.850747e-01 6.552162e-01 0.000485 0.000060 True native_MD 5 353 359 O_AB42_41 O2_AB42_42 1 0.000000e+00 1.305212e-06 ; 2.880504e-01 -1.305212e-06 7.850747e-01 6.552162e-01 0.000485 0.000060 True native_MD 5 353 360 - N_AB42_42 CB_AB42_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 354 357 + N_AB42_42 CB_AB42_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 354 357 H_AB42_42 H_AB42_42 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 355 - H_AB42_42 O1_AB42_42 1 0.000000e+00 8.515367e-09 ; 1.893849e-01 -8.515367e-09 3.676785e-01 4.564294e-02 0.000485 0.000060 True native_MD 4 355 359 - H_AB42_42 O2_AB42_42 1 0.000000e+00 8.515367e-09 ; 1.893849e-01 -8.515367e-09 3.676785e-01 4.564294e-02 0.000485 0.000060 True native_MD 4 355 360 - CB_AB42_42 C_AB42_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 357 358 + H_AB42_42 O1_AB42_42 1 0.000000e+00 8.515504e-09 ; 1.893851e-01 -8.515504e-09 3.676785e-01 4.564294e-02 0.000485 0.000060 True native_MD 4 355 359 + H_AB42_42 O2_AB42_42 1 0.000000e+00 8.515504e-09 ; 1.893851e-01 -8.515504e-09 3.676785e-01 4.564294e-02 0.000485 0.000060 True native_MD 4 355 360 + CB_AB42_42 C_AB42_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 357 358 CB_AB42_42 O1_AB42_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 357 359 CB_AB42_42 O2_AB42_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 357 360 O1_AB42_42 O1_AB42_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 359 359 diff --git a/test/test_outputs/abetaref/case_1/topol_mego.top b/test/test_outputs/abetaref/case_1/topol_mego.top index e014807c..46b60b05 100644 --- a/test/test_outputs/abetaref/case_1/topol_mego.top +++ b/test/test_outputs/abetaref/case_1/topol_mego.top @@ -1723,312 +1723,312 @@ AB42 3 [ pairs ] ; ai aj func c6 c12 ; probability rc_probability source - 1 4 1 0.000000e+00 3.016298e-07 ; 0.999976 0.999715 native_MD + 1 4 1 0.000000e+00 3.016255e-07 ; 0.999976 0.999715 native_MD 1 9 1 0.000000e+00 4.000000e-06 ; 0.999994 1.000000 native_MD - 2 5 1 0.000000e+00 3.362209e-07 ; 1.000000 1.000000 native_MD - 2 6 1 0.000000e+00 3.362209e-07 ; 0.999996 1.000000 native_MD + 2 5 1 0.000000e+00 3.362237e-07 ; 1.000000 1.000000 native_MD + 2 6 1 0.000000e+00 3.362237e-07 ; 0.999996 1.000000 native_MD 3 8 1 0.000000e+00 1.500000e-06 ; 1.000000 0.999999 native_MD 3 9 1 0.000000e+00 2.700000e-06 ; 0.999996 1.000000 native_MD - 4 7 1 0.000000e+00 6.496425e-07 ; 0.999997 0.999982 native_MD - 7 12 1 0.000000e+00 1.299682e-06 ; 0.999998 0.999993 native_MD - 7 13 1 0.000000e+00 1.299285e-06 ; 0.999994 0.999995 native_MD - 9 15 1 0.000000e+00 3.002258e-07 ; 1.000000 0.999999 native_MD + 4 7 1 0.000000e+00 6.496310e-07 ; 0.999997 0.999982 native_MD + 7 12 1 0.000000e+00 1.299665e-06 ; 0.999998 0.999993 native_MD + 7 13 1 0.000000e+00 1.299262e-06 ; 0.999994 0.999995 native_MD + 9 15 1 0.000000e+00 3.002227e-07 ; 1.000000 0.999999 native_MD 12 14 1 0.000000e+00 1.500000e-06 ; 1.000000 0.999998 native_MD 12 15 1 0.000000e+00 2.700000e-06 ; 0.999987 1.000000 native_MD 13 18 1 0.000000e+00 1.299682e-06 ; 1.000000 1.000000 native_MD - 13 23 1 0.000000e+00 1.299285e-06 ; 0.999996 1.000000 native_MD + 13 23 1 0.000000e+00 1.299262e-06 ; 0.999996 1.000000 native_MD 15 19 1 0.000000e+00 5.500000e-07 ; 1.000000 0.999994 native_MD - 15 25 1 0.000000e+00 3.002258e-07 ; 1.000000 1.000000 native_MD + 15 25 1 0.000000e+00 3.002227e-07 ; 1.000000 1.000000 native_MD 17 20 1 0.000000e+00 5.000000e-07 ; 0.999995 0.999895 native_MD 18 24 1 0.000000e+00 1.500000e-06 ; 1.000000 0.999997 native_MD 18 25 1 0.000000e+00 2.700000e-06 ; 0.999991 0.999995 native_MD 19 23 1 0.000000e+00 1.200000e-06 ; 1.000000 1.000000 native_MD 23 28 1 0.000000e+00 1.299682e-06 ; 1.000000 0.999994 native_MD - 23 35 1 0.000000e+00 1.299285e-06 ; 0.999993 1.000000 native_MD - 25 29 1 0.000000e+00 3.016298e-07 ; 0.999969 0.998623 native_MD - 25 37 1 0.000000e+00 3.002258e-07 ; 1.000000 1.000000 native_MD + 23 35 1 0.000000e+00 1.299262e-06 ; 0.999993 1.000000 native_MD + 25 29 1 0.000000e+00 3.016255e-07 ; 0.999969 0.998623 native_MD + 25 37 1 0.000000e+00 3.002227e-07 ; 1.000000 1.000000 native_MD 27 30 1 0.000000e+00 5.000000e-07 ; 1.000000 1.000000 native_MD 27 31 1 0.000000e+00 5.000000e-07 ; 1.000000 1.000000 native_MD 28 36 1 0.000000e+00 1.500000e-06 ; 1.000000 1.000000 native_MD 28 37 1 0.000000e+00 2.700000e-06 ; 0.999997 0.999993 native_MD - 29 35 1 0.000000e+00 6.496425e-07 ; 1.000000 0.999994 native_MD + 29 35 1 0.000000e+00 6.496310e-07 ; 1.000000 0.999994 native_MD 35 40 1 0.000000e+00 1.299682e-06 ; 0.999996 1.000000 native_MD - 35 47 1 0.000000e+00 1.299285e-06 ; 0.999994 1.000000 native_MD + 35 47 1 0.000000e+00 1.299262e-06 ; 0.999994 1.000000 native_MD 37 41 1 0.000000e+00 5.500000e-07 ; 0.999992 0.999996 native_MD - 37 49 1 0.000000e+00 3.002258e-07 ; 1.000000 1.000000 native_MD + 37 49 1 0.000000e+00 3.002227e-07 ; 1.000000 1.000000 native_MD 39 42 1 0.000000e+00 5.000000e-07 ; 0.999994 0.999857 native_MD 40 48 1 0.000000e+00 1.500000e-06 ; 0.999995 0.999998 native_MD 40 49 1 0.000000e+00 2.700000e-06 ; 1.000000 1.000000 native_MD 41 47 1 0.000000e+00 1.200000e-06 ; 0.999998 0.999993 native_MD 47 52 1 0.000000e+00 1.299682e-06 ; 1.000000 1.000000 native_MD - 47 58 1 0.000000e+00 1.299285e-06 ; 0.999991 0.999993 native_MD - 49 53 1 0.000000e+00 3.016298e-07 ; 0.999840 0.998219 native_MD - 49 60 1 0.000000e+00 3.002258e-07 ; 1.000000 1.000000 native_MD + 47 58 1 0.000000e+00 1.299262e-06 ; 0.999991 0.999993 native_MD + 49 53 1 0.000000e+00 3.016255e-07 ; 0.999840 0.998219 native_MD + 49 60 1 0.000000e+00 3.002227e-07 ; 1.000000 1.000000 native_MD 51 54 1 0.000000e+00 5.000000e-07 ; 1.000000 0.999993 native_MD 51 55 1 0.000000e+00 5.000000e-07 ; 1.000000 1.000000 native_MD 52 59 1 0.000000e+00 1.500000e-06 ; 1.000000 1.000000 native_MD 52 60 1 0.000000e+00 2.700000e-06 ; 1.000000 0.999997 native_MD - 53 58 1 0.000000e+00 6.496425e-07 ; 1.000000 0.999998 native_MD + 53 58 1 0.000000e+00 6.496310e-07 ; 1.000000 0.999998 native_MD 58 63 1 0.000000e+00 1.299682e-06 ; 1.000000 1.000000 native_MD - 58 67 1 0.000000e+00 1.299285e-06 ; 1.000000 0.999996 native_MD - 60 64 1 0.000000e+00 3.016298e-07 ; 0.999996 0.998189 native_MD - 60 69 1 0.000000e+00 3.002258e-07 ; 1.000000 1.000000 native_MD - 62 65 1 0.000000e+00 3.362209e-07 ; 1.000000 1.000000 native_MD - 62 66 1 0.000000e+00 3.362209e-07 ; 0.999985 1.000000 native_MD + 58 67 1 0.000000e+00 1.299262e-06 ; 1.000000 0.999996 native_MD + 60 64 1 0.000000e+00 3.016255e-07 ; 0.999996 0.998189 native_MD + 60 69 1 0.000000e+00 3.002227e-07 ; 1.000000 1.000000 native_MD + 62 65 1 0.000000e+00 3.362237e-07 ; 1.000000 1.000000 native_MD + 62 66 1 0.000000e+00 3.362237e-07 ; 0.999985 1.000000 native_MD 63 68 1 0.000000e+00 1.500000e-06 ; 1.000000 0.999996 native_MD 63 69 1 0.000000e+00 2.700000e-06 ; 1.000000 0.999998 native_MD - 64 67 1 0.000000e+00 6.496425e-07 ; 1.000000 0.999996 native_MD + 64 67 1 0.000000e+00 6.496310e-07 ; 1.000000 0.999996 native_MD 67 72 1 0.000000e+00 1.299682e-06 ; 1.000000 0.999994 native_MD - 67 74 1 0.000000e+00 1.299285e-06 ; 0.999990 1.000000 native_MD - 69 73 1 0.000000e+00 1.325534e-07 ; 0.937754 0.967393 native_MD - 69 76 1 0.000000e+00 3.002258e-07 ; 0.999996 1.000000 native_MD + 67 74 1 0.000000e+00 1.299262e-06 ; 0.999990 1.000000 native_MD + 69 73 1 0.000000e+00 1.325518e-07 ; 0.937754 0.967393 native_MD + 69 76 1 0.000000e+00 3.002227e-07 ; 0.999996 1.000000 native_MD 72 75 1 0.000000e+00 1.500000e-06 ; 0.999999 0.999995 native_MD 72 76 1 0.000000e+00 2.700000e-06 ; 1.000000 1.000000 native_MD - 73 74 1 0.000000e+00 2.854902e-07 ; 1.000000 0.998908 native_MD - 74 79 1 0.000000e+00 1.299285e-06 ; 1.000000 1.000000 native_MD - 76 81 1 0.000000e+00 3.002258e-07 ; 0.999998 1.000000 native_MD + 73 74 1 0.000000e+00 2.854856e-07 ; 1.000000 0.998908 native_MD + 74 79 1 0.000000e+00 1.299262e-06 ; 1.000000 1.000000 native_MD + 76 81 1 0.000000e+00 3.002227e-07 ; 0.999998 1.000000 native_MD 79 84 1 0.000000e+00 1.299682e-06 ; 0.999999 1.000000 native_MD - 79 92 1 0.000000e+00 1.299285e-06 ; 0.999990 0.999993 native_MD - 81 85 1 0.000000e+00 3.016298e-07 ; 0.999984 0.998574 native_MD - 81 94 1 0.000000e+00 3.002258e-07 ; 0.999999 0.999989 native_MD + 79 92 1 0.000000e+00 1.299262e-06 ; 0.999990 0.999993 native_MD + 81 85 1 0.000000e+00 3.016255e-07 ; 0.999984 0.998574 native_MD + 81 94 1 0.000000e+00 3.002227e-07 ; 0.999999 0.999989 native_MD 83 86 1 0.000000e+00 5.000000e-07 ; 0.999990 0.999992 native_MD 83 87 1 0.000000e+00 5.000000e-07 ; 1.000000 0.999991 native_MD 84 93 1 0.000000e+00 1.500000e-06 ; 1.000000 0.999993 native_MD 84 94 1 0.000000e+00 2.700000e-06 ; 1.000000 0.999999 native_MD - 85 92 1 0.000000e+00 6.496425e-07 ; 1.000000 0.999994 native_MD + 85 92 1 0.000000e+00 6.496310e-07 ; 1.000000 0.999994 native_MD 92 97 1 0.000000e+00 1.299682e-06 ; 1.000000 1.000000 native_MD - 92 102 1 0.000000e+00 1.299285e-06 ; 1.000000 0.999998 native_MD + 92 102 1 0.000000e+00 1.299262e-06 ; 1.000000 0.999998 native_MD 94 98 1 0.000000e+00 5.500000e-07 ; 1.000000 0.999998 native_MD - 94 104 1 0.000000e+00 3.002258e-07 ; 1.000000 0.999999 native_MD + 94 104 1 0.000000e+00 3.002227e-07 ; 1.000000 0.999999 native_MD 96 99 1 0.000000e+00 5.000000e-07 ; 0.999998 0.999821 native_MD 97 103 1 0.000000e+00 1.500000e-06 ; 0.999991 0.999995 native_MD 97 104 1 0.000000e+00 2.700000e-06 ; 0.999999 1.000000 native_MD 98 102 1 0.000000e+00 1.200000e-06 ; 1.000000 0.999992 native_MD 102 107 1 0.000000e+00 1.299682e-06 ; 0.999997 0.999998 native_MD - 102 110 1 0.000000e+00 1.299285e-06 ; 1.000000 1.000000 native_MD - 104 108 1 0.000000e+00 5.485852e-07 ; 1.000000 1.000000 native_MD - 104 109 1 0.000000e+00 5.485852e-07 ; 1.000000 1.000000 native_MD - 104 112 1 0.000000e+00 3.002258e-07 ; 1.000000 0.999996 native_MD + 102 110 1 0.000000e+00 1.299262e-06 ; 1.000000 1.000000 native_MD + 104 108 1 0.000000e+00 5.485800e-07 ; 1.000000 1.000000 native_MD + 104 109 1 0.000000e+00 5.485800e-07 ; 1.000000 1.000000 native_MD + 104 112 1 0.000000e+00 3.002227e-07 ; 1.000000 0.999996 native_MD 107 111 1 0.000000e+00 1.500000e-06 ; 1.000000 0.999995 native_MD 107 112 1 0.000000e+00 2.700000e-06 ; 1.000000 1.000000 native_MD - 108 110 1 0.000000e+00 1.181529e-06 ; 0.999993 1.000000 native_MD - 109 110 1 0.000000e+00 1.181529e-06 ; 1.000000 1.000000 native_MD + 108 110 1 0.000000e+00 1.181513e-06 ; 0.999993 1.000000 native_MD + 109 110 1 0.000000e+00 1.181513e-06 ; 1.000000 1.000000 native_MD 110 115 1 0.000000e+00 1.299682e-06 ; 0.999994 0.999992 native_MD - 110 121 1 0.000000e+00 1.299285e-06 ; 1.000000 1.000000 native_MD - 112 116 1 0.000000e+00 3.016298e-07 ; 0.999934 0.998649 native_MD - 112 123 1 0.000000e+00 3.002258e-07 ; 1.000000 0.999993 native_MD + 110 121 1 0.000000e+00 1.299262e-06 ; 1.000000 1.000000 native_MD + 112 116 1 0.000000e+00 3.016255e-07 ; 0.999934 0.998649 native_MD + 112 123 1 0.000000e+00 3.002227e-07 ; 1.000000 0.999993 native_MD 114 117 1 0.000000e+00 5.000000e-07 ; 1.000000 0.999996 native_MD 114 118 1 0.000000e+00 5.000000e-07 ; 0.999992 0.999999 native_MD 115 122 1 0.000000e+00 1.500000e-06 ; 1.000000 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0.000000e+00 5.485852e-07 ; 1.000000 0.999998 native_MD - 337 345 1 0.000000e+00 3.002258e-07 ; 1.000000 0.999978 native_MD + 335 343 1 0.000000e+00 1.299262e-06 ; 1.000000 1.000000 native_MD + 337 341 1 0.000000e+00 5.485800e-07 ; 0.999996 0.999999 native_MD + 337 342 1 0.000000e+00 5.485800e-07 ; 1.000000 0.999998 native_MD + 337 345 1 0.000000e+00 3.002227e-07 ; 1.000000 0.999978 native_MD 340 344 1 0.000000e+00 1.500000e-06 ; 1.000000 1.000000 native_MD 340 345 1 0.000000e+00 2.700000e-06 ; 1.000000 0.999996 native_MD - 341 343 1 0.000000e+00 1.181529e-06 ; 1.000000 1.000000 native_MD - 342 343 1 0.000000e+00 1.181529e-06 ; 0.999998 1.000000 native_MD + 341 343 1 0.000000e+00 1.181513e-06 ; 1.000000 1.000000 native_MD + 342 343 1 0.000000e+00 1.181513e-06 ; 0.999998 1.000000 native_MD 343 348 1 0.000000e+00 1.299682e-06 ; 1.000000 1.000000 native_MD - 343 352 1 0.000000e+00 1.299285e-06 ; 1.000000 0.999994 native_MD + 343 352 1 0.000000e+00 1.299262e-06 ; 1.000000 0.999994 native_MD 345 349 1 0.000000e+00 5.500000e-07 ; 1.000000 0.999994 native_MD - 345 350 1 0.000000e+00 5.485852e-07 ; 1.000000 0.999979 native_MD - 345 354 1 0.000000e+00 3.002258e-07 ; 1.000000 1.000000 native_MD + 345 350 1 0.000000e+00 5.485800e-07 ; 1.000000 0.999979 native_MD + 345 354 1 0.000000e+00 3.002227e-07 ; 1.000000 1.000000 native_MD 347 351 1 0.000000e+00 5.000000e-07 ; 0.999999 0.999780 native_MD 348 353 1 0.000000e+00 1.500000e-06 ; 0.999991 1.000000 native_MD 348 354 1 0.000000e+00 2.700000e-06 ; 1.000000 1.000000 native_MD 349 352 1 0.000000e+00 1.200000e-06 ; 1.000000 0.999996 native_MD - 350 352 1 0.000000e+00 1.181529e-06 ; 1.000000 1.000000 native_MD - 352 357 1 0.000000e+00 1.299682e-06 ; 1.000000 1.000000 native_MD - 352 358 1 0.000000e+00 1.299285e-06 ; 0.999999 0.999994 native_MD + 350 352 1 0.000000e+00 1.181513e-06 ; 1.000000 1.000000 native_MD + 352 357 1 0.000000e+00 1.299665e-06 ; 1.000000 1.000000 native_MD + 352 358 1 0.000000e+00 1.299262e-06 ; 0.999999 0.999994 native_MD 357 359 1 0.000000e+00 1.217465e-06 ; 0.999987 0.999995 native_MD 357 360 1 0.000000e+00 1.217465e-06 ; 1.000000 0.999994 native_MD diff --git a/test/test_outputs/gpref/case_1/ffnonbonded.itp b/test/test_outputs/gpref/case_1/ffnonbonded.itp index 1cd0ad68..c0f92ca9 100644 --- a/test/test_outputs/gpref/case_1/ffnonbonded.itp +++ b/test/test_outputs/gpref/case_1/ffnonbonded.itp @@ -501,1041 +501,1041 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573658e-04 5.159165e-08 [ nonbond_params ] ; ai aj type c6 c12 ; sigma epsilon probability rc_probability md_threshold rc_threshold same_chain source bond_distance number_ai number_aj N_GB1_1 N_GB1_1 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.0 1.0 1.0 1.0 False mg 7 1 1 - N_GB1_1 CB_GB1_1 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 3 - N_GB1_1 CG_GB1_1 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 4 - N_GB1_1 CE_GB1_1 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 1 6 - N_GB1_1 CB_GB1_2 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 1 12 - N_GB1_1 CG2_GB1_2 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 1 14 - N_GB1_1 CB_GB1_3 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 20 - N_GB1_1 CB_GB1_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 33 - N_GB1_1 CG_GB1_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 34 - N_GB1_1 CD_GB1_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 35 - N_GB1_1 CE_GB1_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 36 + N_GB1_1 CB_GB1_1 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 3 + N_GB1_1 CG_GB1_1 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 4 + N_GB1_1 CE_GB1_1 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 1 6 + N_GB1_1 CB_GB1_2 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 1 12 + N_GB1_1 CG2_GB1_2 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 1 14 + N_GB1_1 CB_GB1_3 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 20 + N_GB1_1 CB_GB1_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 33 + N_GB1_1 CG_GB1_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 34 + N_GB1_1 CD_GB1_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 35 + N_GB1_1 CE_GB1_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 36 N_GB1_1 NZ_GB1_4 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.0 1.0 1.0 1.0 False mg 7 1 37 - N_GB1_1 CB_GB1_5 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 43 - N_GB1_1 CG_GB1_5 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 1 44 - N_GB1_1 CD1_GB1_5 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 1 45 - N_GB1_1 CD2_GB1_5 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 1 46 - N_GB1_1 CB_GB1_6 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 1 52 - N_GB1_1 CG1_GB1_6 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 53 - N_GB1_1 CG2_GB1_6 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 1 54 - N_GB1_1 CD_GB1_6 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 1 55 - N_GB1_1 CB_GB1_7 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 61 - N_GB1_1 CG_GB1_7 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 1 62 - N_GB1_1 CD1_GB1_7 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 1 63 - N_GB1_1 CD2_GB1_7 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 1 64 - N_GB1_1 CB_GB1_8 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 70 - N_GB1_1 CA_GB1_9 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 78 - N_GB1_1 CB_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 84 - N_GB1_1 CG_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 85 - N_GB1_1 CD_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 86 - N_GB1_1 CE_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 87 + N_GB1_1 CB_GB1_5 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 43 + N_GB1_1 CG_GB1_5 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 1 44 + N_GB1_1 CD1_GB1_5 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 1 45 + N_GB1_1 CD2_GB1_5 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 1 46 + N_GB1_1 CB_GB1_6 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 1 52 + N_GB1_1 CG1_GB1_6 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 53 + N_GB1_1 CG2_GB1_6 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 1 54 + N_GB1_1 CD_GB1_6 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 1 55 + N_GB1_1 CB_GB1_7 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 61 + N_GB1_1 CG_GB1_7 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 1 62 + N_GB1_1 CD1_GB1_7 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 1 63 + N_GB1_1 CD2_GB1_7 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 1 64 + N_GB1_1 CB_GB1_8 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 70 + N_GB1_1 CA_GB1_9 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 78 + N_GB1_1 CB_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 84 + N_GB1_1 CG_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 85 + N_GB1_1 CD_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 86 + N_GB1_1 CE_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 87 N_GB1_1 NZ_GB1_10 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.0 1.0 1.0 1.0 False mg 7 1 88 - N_GB1_1 CB_GB1_11 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 1 94 - N_GB1_1 CG2_GB1_11 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 1 96 - N_GB1_1 CB_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 102 - N_GB1_1 CG_GB1_12 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 1 103 - N_GB1_1 CD1_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 1 104 - N_GB1_1 CD2_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 1 105 - N_GB1_1 CB_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 111 - N_GB1_1 CG_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 112 - N_GB1_1 CD_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 113 - N_GB1_1 CE_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 114 + N_GB1_1 CB_GB1_11 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 1 94 + N_GB1_1 CG2_GB1_11 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 1 96 + N_GB1_1 CB_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 102 + N_GB1_1 CG_GB1_12 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 1 103 + N_GB1_1 CD1_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 1 104 + N_GB1_1 CD2_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 1 105 + N_GB1_1 CB_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 111 + N_GB1_1 CG_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 112 + N_GB1_1 CD_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 113 + N_GB1_1 CE_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 114 N_GB1_1 NZ_GB1_13 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.0 1.0 1.0 1.0 False mg 7 1 115 - N_GB1_1 CA_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 120 - N_GB1_1 CB_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 126 - N_GB1_1 CG_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 127 - N_GB1_1 CB_GB1_16 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 1 136 - N_GB1_1 CG2_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 1 138 - N_GB1_1 CB_GB1_17 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 1 144 - N_GB1_1 CG2_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 1 146 - N_GB1_1 CB_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 1 152 - N_GB1_1 CG2_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 1 154 - N_GB1_1 CB_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 160 - N_GB1_1 CG_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 161 - N_GB1_1 CB_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 1 170 - N_GB1_1 CB_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 1 176 - N_GB1_1 CG1_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 1 177 - N_GB1_1 CG2_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 1 178 - N_GB1_1 CB_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 184 - N_GB1_1 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 1 193 - N_GB1_1 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 1 199 - N_GB1_1 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 1 205 - N_GB1_1 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 1 207 - N_GB1_1 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 1 213 - N_GB1_1 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 219 - N_GB1_1 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 220 - N_GB1_1 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 229 - N_GB1_1 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 230 - N_GB1_1 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 231 - N_GB1_1 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 232 + N_GB1_1 CA_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 120 + N_GB1_1 CB_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 126 + N_GB1_1 CG_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 127 + N_GB1_1 CB_GB1_16 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 1 136 + N_GB1_1 CG2_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 1 138 + N_GB1_1 CB_GB1_17 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 1 144 + N_GB1_1 CG2_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 1 146 + N_GB1_1 CB_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 1 152 + N_GB1_1 CG2_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 1 154 + N_GB1_1 CB_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 160 + N_GB1_1 CG_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 161 + N_GB1_1 CB_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 1 170 + N_GB1_1 CB_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 1 176 + N_GB1_1 CG1_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 1 177 + N_GB1_1 CG2_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 1 178 + N_GB1_1 CB_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 184 + N_GB1_1 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 1 193 + N_GB1_1 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 1 199 + N_GB1_1 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 1 205 + N_GB1_1 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 1 207 + N_GB1_1 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 1 213 + N_GB1_1 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 219 + N_GB1_1 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 220 + N_GB1_1 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 229 + N_GB1_1 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 230 + N_GB1_1 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 231 + N_GB1_1 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 232 N_GB1_1 NZ_GB1_28 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.0 1.0 1.0 1.0 False mg 7 1 233 - N_GB1_1 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 1 239 - N_GB1_1 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 1 240 - N_GB1_1 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 1 241 - N_GB1_1 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 247 - N_GB1_1 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 259 - N_GB1_1 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 260 - N_GB1_1 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 261 - N_GB1_1 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 262 + N_GB1_1 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 1 239 + N_GB1_1 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 1 240 + N_GB1_1 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 1 241 + N_GB1_1 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 247 + N_GB1_1 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 259 + N_GB1_1 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 260 + N_GB1_1 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 261 + N_GB1_1 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 262 N_GB1_1 NZ_GB1_31 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.0 1.0 1.0 1.0 False mg 7 1 263 - N_GB1_1 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 269 - N_GB1_1 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 270 - N_GB1_1 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 279 - N_GB1_1 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 1 292 - N_GB1_1 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 298 - N_GB1_1 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 307 - N_GB1_1 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 316 - N_GB1_1 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 324 - N_GB1_1 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 1 330 - N_GB1_1 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 1 331 - N_GB1_1 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 1 332 - N_GB1_1 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 338 - N_GB1_1 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 346 - N_GB1_1 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 352 - N_GB1_1 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 353 - N_GB1_1 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 362 - N_GB1_1 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 1 377 - N_GB1_1 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 1 379 - N_GB1_1 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 385 - N_GB1_1 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 398 - N_GB1_1 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 407 - N_GB1_1 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 1 416 - N_GB1_1 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 1 422 - N_GB1_1 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 1 424 - N_GB1_1 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 430 - N_GB1_1 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 431 - N_GB1_1 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 432 - N_GB1_1 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 1 433 + N_GB1_1 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 269 + N_GB1_1 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 270 + N_GB1_1 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 279 + N_GB1_1 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 1 292 + N_GB1_1 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 298 + N_GB1_1 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 307 + N_GB1_1 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 316 + N_GB1_1 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 324 + N_GB1_1 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 1 330 + N_GB1_1 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 1 331 + N_GB1_1 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 1 332 + N_GB1_1 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 338 + N_GB1_1 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 346 + N_GB1_1 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 352 + N_GB1_1 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 353 + N_GB1_1 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 362 + N_GB1_1 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 1 377 + N_GB1_1 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 1 379 + N_GB1_1 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 385 + N_GB1_1 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 398 + N_GB1_1 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 407 + N_GB1_1 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 1 416 + N_GB1_1 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 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-2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 1 469 + N_GB1_1 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 1 470 + N_GB1_1 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 1 476 + N_GB1_1 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 1 478 + N_GB1_1 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 484 + N_GB1_1 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 1 485 + CB_GB1_1 SD_GB1_1 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 3 5 + CB_GB1_1 C_GB1_1 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 7 CB_GB1_1 O_GB1_1 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 8 - CB_GB1_1 N_GB1_2 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 9 - CB_GB1_1 OG1_GB1_2 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 3 13 - CB_GB1_1 C_GB1_2 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 15 + CB_GB1_1 N_GB1_2 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 9 + CB_GB1_1 OG1_GB1_2 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 3 13 + CB_GB1_1 C_GB1_2 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 15 CB_GB1_1 O_GB1_2 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 16 - CB_GB1_1 N_GB1_3 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 17 - CB_GB1_1 OH_GB1_3 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 3 27 - CB_GB1_1 C_GB1_3 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 28 + CB_GB1_1 N_GB1_3 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 17 + CB_GB1_1 OH_GB1_3 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 3 27 + CB_GB1_1 C_GB1_3 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 28 CB_GB1_1 O_GB1_3 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 29 - CB_GB1_1 N_GB1_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 30 - CB_GB1_1 NZ_GB1_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 37 - CB_GB1_1 C_GB1_4 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 38 + CB_GB1_1 N_GB1_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 30 + CB_GB1_1 NZ_GB1_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 37 + CB_GB1_1 C_GB1_4 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 38 CB_GB1_1 O_GB1_4 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 39 - CB_GB1_1 N_GB1_5 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 40 - CB_GB1_1 C_GB1_5 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 47 + CB_GB1_1 N_GB1_5 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 40 + CB_GB1_1 C_GB1_5 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 47 CB_GB1_1 O_GB1_5 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 48 - CB_GB1_1 N_GB1_6 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 49 - CB_GB1_1 C_GB1_6 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 56 + CB_GB1_1 N_GB1_6 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 49 + CB_GB1_1 C_GB1_6 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 56 CB_GB1_1 O_GB1_6 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 57 - CB_GB1_1 N_GB1_7 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 58 - CB_GB1_1 C_GB1_7 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 65 + CB_GB1_1 N_GB1_7 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 58 + CB_GB1_1 C_GB1_7 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 65 CB_GB1_1 O_GB1_7 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 66 - CB_GB1_1 N_GB1_8 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 67 - CB_GB1_1 CG_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 71 + CB_GB1_1 N_GB1_8 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 67 + CB_GB1_1 CG_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 71 CB_GB1_1 OD1_GB1_8 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 72 - CB_GB1_1 ND2_GB1_8 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 3 73 - CB_GB1_1 C_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 74 + CB_GB1_1 ND2_GB1_8 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 3 73 + CB_GB1_1 C_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 74 CB_GB1_1 O_GB1_8 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 75 - CB_GB1_1 N_GB1_9 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 76 - CB_GB1_1 C_GB1_9 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 79 + CB_GB1_1 N_GB1_9 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 76 + CB_GB1_1 C_GB1_9 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 79 CB_GB1_1 O_GB1_9 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 80 - CB_GB1_1 N_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 81 - CB_GB1_1 NZ_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 88 - CB_GB1_1 C_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 89 + CB_GB1_1 N_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 81 + CB_GB1_1 NZ_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 88 + CB_GB1_1 C_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 89 CB_GB1_1 O_GB1_10 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 90 - CB_GB1_1 N_GB1_11 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 91 - CB_GB1_1 OG1_GB1_11 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 3 95 - CB_GB1_1 C_GB1_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 97 + CB_GB1_1 N_GB1_11 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 91 + CB_GB1_1 OG1_GB1_11 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 3 95 + CB_GB1_1 C_GB1_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 97 CB_GB1_1 O_GB1_11 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 98 - CB_GB1_1 N_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 99 - CB_GB1_1 C_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 106 + CB_GB1_1 N_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 99 + CB_GB1_1 C_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 106 CB_GB1_1 O_GB1_12 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 107 - CB_GB1_1 N_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 108 - CB_GB1_1 NZ_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 115 - CB_GB1_1 C_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 116 + CB_GB1_1 N_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 108 + CB_GB1_1 NZ_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 115 + CB_GB1_1 C_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 116 CB_GB1_1 O_GB1_13 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 117 - CB_GB1_1 N_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 118 - CB_GB1_1 C_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 121 + CB_GB1_1 N_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 118 + CB_GB1_1 C_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 121 CB_GB1_1 O_GB1_14 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 122 - CB_GB1_1 N_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 123 - CB_GB1_1 CD_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 128 - CB_GB1_1 OE1_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 3 129 - CB_GB1_1 OE2_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 3 130 - CB_GB1_1 C_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 131 + CB_GB1_1 N_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 123 + CB_GB1_1 CD_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 128 + CB_GB1_1 OE1_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 3 129 + CB_GB1_1 OE2_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 3 130 + CB_GB1_1 C_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 131 CB_GB1_1 O_GB1_15 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 132 - CB_GB1_1 N_GB1_16 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 133 - CB_GB1_1 OG1_GB1_16 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 3 137 - CB_GB1_1 C_GB1_16 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 139 + CB_GB1_1 N_GB1_16 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 133 + CB_GB1_1 OG1_GB1_16 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 3 137 + CB_GB1_1 C_GB1_16 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 139 CB_GB1_1 O_GB1_16 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 140 - CB_GB1_1 N_GB1_17 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 141 - CB_GB1_1 OG1_GB1_17 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 3 145 - CB_GB1_1 C_GB1_17 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 147 + CB_GB1_1 N_GB1_17 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 141 + CB_GB1_1 OG1_GB1_17 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 3 145 + CB_GB1_1 C_GB1_17 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 147 CB_GB1_1 O_GB1_17 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 148 - CB_GB1_1 N_GB1_18 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 149 - CB_GB1_1 OG1_GB1_18 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 3 153 - CB_GB1_1 C_GB1_18 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 155 + CB_GB1_1 N_GB1_18 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 149 + CB_GB1_1 OG1_GB1_18 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 3 153 + CB_GB1_1 C_GB1_18 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 155 CB_GB1_1 O_GB1_18 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 156 - CB_GB1_1 N_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 157 - CB_GB1_1 CD_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 162 - CB_GB1_1 OE1_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 3 163 - CB_GB1_1 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 3 164 - CB_GB1_1 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 165 + CB_GB1_1 N_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 157 + CB_GB1_1 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 162 + CB_GB1_1 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 3 163 + CB_GB1_1 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 3 164 + CB_GB1_1 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 165 CB_GB1_1 O_GB1_19 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 166 - CB_GB1_1 N_GB1_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 167 - CB_GB1_1 C_GB1_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 171 + CB_GB1_1 N_GB1_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 167 + CB_GB1_1 C_GB1_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 171 CB_GB1_1 O_GB1_20 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 172 - CB_GB1_1 N_GB1_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 173 - CB_GB1_1 C_GB1_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 179 + CB_GB1_1 N_GB1_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 173 + CB_GB1_1 C_GB1_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 179 CB_GB1_1 O_GB1_21 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 180 - CB_GB1_1 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 181 - CB_GB1_1 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 185 - CB_GB1_1 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 3 186 - CB_GB1_1 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 3 187 - CB_GB1_1 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 188 + CB_GB1_1 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 181 + CB_GB1_1 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 185 + CB_GB1_1 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 3 186 + CB_GB1_1 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 3 187 + CB_GB1_1 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 188 CB_GB1_1 O_GB1_22 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 189 - CB_GB1_1 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 190 - CB_GB1_1 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 194 + CB_GB1_1 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 190 + CB_GB1_1 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 194 CB_GB1_1 O_GB1_23 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 195 - CB_GB1_1 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 196 - CB_GB1_1 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 200 + CB_GB1_1 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 196 + CB_GB1_1 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 200 CB_GB1_1 O_GB1_24 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 201 - CB_GB1_1 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 202 - CB_GB1_1 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 3 206 - CB_GB1_1 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 208 + CB_GB1_1 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 202 + CB_GB1_1 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 3 206 + CB_GB1_1 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 208 CB_GB1_1 O_GB1_25 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 209 - CB_GB1_1 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 210 - CB_GB1_1 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 214 + CB_GB1_1 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 210 + CB_GB1_1 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 214 CB_GB1_1 O_GB1_26 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 215 - CB_GB1_1 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 216 - CB_GB1_1 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 221 - CB_GB1_1 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 3 222 - CB_GB1_1 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 3 223 - CB_GB1_1 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 224 + CB_GB1_1 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 216 + CB_GB1_1 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 221 + CB_GB1_1 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 3 222 + CB_GB1_1 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 3 223 + CB_GB1_1 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 224 CB_GB1_1 O_GB1_27 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 225 - CB_GB1_1 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 226 - CB_GB1_1 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 233 - CB_GB1_1 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 234 + CB_GB1_1 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 226 + CB_GB1_1 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 233 + CB_GB1_1 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 234 CB_GB1_1 O_GB1_28 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 235 - CB_GB1_1 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 236 - CB_GB1_1 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 242 + CB_GB1_1 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 236 + CB_GB1_1 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 242 CB_GB1_1 O_GB1_29 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 243 - CB_GB1_1 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 244 - CB_GB1_1 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 254 + CB_GB1_1 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 244 + CB_GB1_1 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 254 CB_GB1_1 O_GB1_30 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 255 - CB_GB1_1 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 256 - CB_GB1_1 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 263 - CB_GB1_1 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 264 + CB_GB1_1 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 256 + CB_GB1_1 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 263 + CB_GB1_1 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 264 CB_GB1_1 O_GB1_31 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 265 - CB_GB1_1 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 266 - CB_GB1_1 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 271 + CB_GB1_1 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 266 + CB_GB1_1 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 271 CB_GB1_1 OE1_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 272 - CB_GB1_1 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 3 273 - CB_GB1_1 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 274 + CB_GB1_1 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 3 273 + CB_GB1_1 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 274 CB_GB1_1 O_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 275 - CB_GB1_1 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 276 - CB_GB1_1 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 3 286 - CB_GB1_1 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 287 + CB_GB1_1 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 276 + CB_GB1_1 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 3 286 + CB_GB1_1 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 287 CB_GB1_1 O_GB1_33 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 288 - CB_GB1_1 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 289 - CB_GB1_1 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 293 + CB_GB1_1 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 289 + CB_GB1_1 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 293 CB_GB1_1 O_GB1_34 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 294 - CB_GB1_1 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 295 - CB_GB1_1 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 299 + CB_GB1_1 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 295 + CB_GB1_1 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 299 CB_GB1_1 OD1_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 300 - CB_GB1_1 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 3 301 - CB_GB1_1 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 302 + CB_GB1_1 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 3 301 + CB_GB1_1 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 302 CB_GB1_1 O_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 303 - CB_GB1_1 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 304 - CB_GB1_1 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 308 - CB_GB1_1 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 3 309 - CB_GB1_1 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 3 310 - CB_GB1_1 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 311 + CB_GB1_1 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 304 + CB_GB1_1 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 308 + CB_GB1_1 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 3 309 + CB_GB1_1 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 3 310 + CB_GB1_1 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 311 CB_GB1_1 O_GB1_36 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 312 - CB_GB1_1 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 313 - CB_GB1_1 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 317 + CB_GB1_1 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 313 + CB_GB1_1 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 317 CB_GB1_1 OD1_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 318 - CB_GB1_1 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 3 319 - CB_GB1_1 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 320 + CB_GB1_1 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 3 319 + CB_GB1_1 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 320 CB_GB1_1 O_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 321 - CB_GB1_1 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 322 - CB_GB1_1 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 325 + CB_GB1_1 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 322 + CB_GB1_1 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 325 CB_GB1_1 O_GB1_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 326 - CB_GB1_1 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 327 - CB_GB1_1 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 333 + CB_GB1_1 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 327 + CB_GB1_1 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 333 CB_GB1_1 O_GB1_39 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 334 - CB_GB1_1 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 335 - CB_GB1_1 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 339 - CB_GB1_1 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 3 340 - CB_GB1_1 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 3 341 - CB_GB1_1 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 342 + CB_GB1_1 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 335 + CB_GB1_1 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 339 + CB_GB1_1 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 3 340 + CB_GB1_1 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 3 341 + CB_GB1_1 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 342 CB_GB1_1 O_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 343 - CB_GB1_1 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 344 - CB_GB1_1 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 347 + CB_GB1_1 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 344 + CB_GB1_1 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 347 CB_GB1_1 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 348 - CB_GB1_1 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 349 - CB_GB1_1 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 354 - CB_GB1_1 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 3 355 - CB_GB1_1 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 3 356 - CB_GB1_1 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 357 + CB_GB1_1 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 349 + CB_GB1_1 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 354 + CB_GB1_1 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 3 355 + CB_GB1_1 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 3 356 + CB_GB1_1 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 357 CB_GB1_1 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 358 - CB_GB1_1 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 359 - CB_GB1_1 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 3 366 - CB_GB1_1 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 372 + CB_GB1_1 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 359 + CB_GB1_1 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 3 366 + CB_GB1_1 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 372 CB_GB1_1 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 373 - CB_GB1_1 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 374 - CB_GB1_1 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 3 378 - CB_GB1_1 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 380 + CB_GB1_1 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 374 + CB_GB1_1 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 3 378 + CB_GB1_1 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 380 CB_GB1_1 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 381 - CB_GB1_1 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 382 - CB_GB1_1 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 3 392 - CB_GB1_1 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 393 + CB_GB1_1 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 382 + CB_GB1_1 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 3 392 + CB_GB1_1 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 393 CB_GB1_1 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 394 - CB_GB1_1 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 395 - CB_GB1_1 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 399 - CB_GB1_1 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 3 400 - CB_GB1_1 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 3 401 - CB_GB1_1 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 402 + CB_GB1_1 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 395 + CB_GB1_1 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 399 + CB_GB1_1 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 3 400 + CB_GB1_1 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 3 401 + CB_GB1_1 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 402 CB_GB1_1 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 403 - CB_GB1_1 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 404 - CB_GB1_1 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 408 - CB_GB1_1 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 3 409 - CB_GB1_1 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 3 410 - CB_GB1_1 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 411 + CB_GB1_1 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 404 + CB_GB1_1 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 408 + CB_GB1_1 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 3 409 + CB_GB1_1 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 3 410 + CB_GB1_1 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 411 CB_GB1_1 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 412 - CB_GB1_1 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 413 - CB_GB1_1 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 417 + CB_GB1_1 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 413 + CB_GB1_1 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 417 CB_GB1_1 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 418 - CB_GB1_1 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 419 - CB_GB1_1 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 3 423 - CB_GB1_1 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 425 + CB_GB1_1 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 419 + CB_GB1_1 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 3 423 + CB_GB1_1 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 425 CB_GB1_1 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 426 - CB_GB1_1 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 427 - CB_GB1_1 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 434 - CB_GB1_1 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 435 + CB_GB1_1 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 427 + CB_GB1_1 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 434 + CB_GB1_1 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 435 CB_GB1_1 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 436 - CB_GB1_1 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 437 - CB_GB1_1 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 3 441 - CB_GB1_1 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 443 + CB_GB1_1 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 437 + CB_GB1_1 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 3 441 + CB_GB1_1 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 443 CB_GB1_1 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 444 - CB_GB1_1 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 445 - CB_GB1_1 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 455 + CB_GB1_1 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 445 + CB_GB1_1 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 455 CB_GB1_1 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 456 - CB_GB1_1 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 457 - CB_GB1_1 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 3 461 - CB_GB1_1 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 463 + CB_GB1_1 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 457 + CB_GB1_1 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 3 461 + CB_GB1_1 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 463 CB_GB1_1 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 464 - CB_GB1_1 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 465 - CB_GB1_1 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 471 + CB_GB1_1 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 465 + CB_GB1_1 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 471 CB_GB1_1 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 472 - CB_GB1_1 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 473 - CB_GB1_1 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 3 477 - CB_GB1_1 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 479 + CB_GB1_1 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 473 + CB_GB1_1 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 3 477 + CB_GB1_1 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 479 CB_GB1_1 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 3 480 - CB_GB1_1 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 3 481 - CB_GB1_1 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 486 - CB_GB1_1 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 3 487 - CB_GB1_1 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 3 488 - CB_GB1_1 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 3 489 - CB_GB1_1 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 3 490 - CB_GB1_1 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 3 491 - CG_GB1_1 SD_GB1_1 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 4 5 - CG_GB1_1 C_GB1_1 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 7 + CB_GB1_1 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 3 481 + CB_GB1_1 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 486 + CB_GB1_1 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 3 487 + CB_GB1_1 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 3 488 + CB_GB1_1 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 3 489 + CB_GB1_1 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 3 490 + CB_GB1_1 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 3 491 + CG_GB1_1 SD_GB1_1 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 4 5 + CG_GB1_1 C_GB1_1 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 7 CG_GB1_1 O_GB1_1 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 8 - CG_GB1_1 N_GB1_2 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 9 - CG_GB1_1 OG1_GB1_2 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 4 13 - CG_GB1_1 C_GB1_2 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 15 + CG_GB1_1 N_GB1_2 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 9 + CG_GB1_1 OG1_GB1_2 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 4 13 + CG_GB1_1 C_GB1_2 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 15 CG_GB1_1 O_GB1_2 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 16 - CG_GB1_1 N_GB1_3 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 17 - CG_GB1_1 OH_GB1_3 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 4 27 - CG_GB1_1 C_GB1_3 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 28 + CG_GB1_1 N_GB1_3 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 17 + CG_GB1_1 OH_GB1_3 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 4 27 + CG_GB1_1 C_GB1_3 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 28 CG_GB1_1 O_GB1_3 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 29 - CG_GB1_1 N_GB1_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 30 - CG_GB1_1 NZ_GB1_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 37 - CG_GB1_1 C_GB1_4 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 38 + CG_GB1_1 N_GB1_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 30 + CG_GB1_1 NZ_GB1_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 37 + CG_GB1_1 C_GB1_4 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 38 CG_GB1_1 O_GB1_4 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 39 - CG_GB1_1 N_GB1_5 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 40 - CG_GB1_1 C_GB1_5 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 47 + CG_GB1_1 N_GB1_5 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 40 + CG_GB1_1 C_GB1_5 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 47 CG_GB1_1 O_GB1_5 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 48 - CG_GB1_1 N_GB1_6 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 49 - CG_GB1_1 C_GB1_6 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 56 + CG_GB1_1 N_GB1_6 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 49 + CG_GB1_1 C_GB1_6 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 56 CG_GB1_1 O_GB1_6 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 57 - CG_GB1_1 N_GB1_7 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 58 - CG_GB1_1 C_GB1_7 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 65 + CG_GB1_1 N_GB1_7 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 58 + CG_GB1_1 C_GB1_7 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 65 CG_GB1_1 O_GB1_7 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 66 - CG_GB1_1 N_GB1_8 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 67 - CG_GB1_1 CG_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 71 + CG_GB1_1 N_GB1_8 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 67 + CG_GB1_1 CG_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 71 CG_GB1_1 OD1_GB1_8 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 72 - CG_GB1_1 ND2_GB1_8 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 4 73 - CG_GB1_1 C_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 74 + CG_GB1_1 ND2_GB1_8 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 4 73 + CG_GB1_1 C_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 74 CG_GB1_1 O_GB1_8 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 75 - CG_GB1_1 N_GB1_9 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 76 - CG_GB1_1 C_GB1_9 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 79 + CG_GB1_1 N_GB1_9 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 76 + CG_GB1_1 C_GB1_9 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 79 CG_GB1_1 O_GB1_9 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 80 - CG_GB1_1 N_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 81 - CG_GB1_1 NZ_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 88 - CG_GB1_1 C_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 89 + CG_GB1_1 N_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 81 + CG_GB1_1 NZ_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 88 + CG_GB1_1 C_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 89 CG_GB1_1 O_GB1_10 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 90 - CG_GB1_1 N_GB1_11 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 91 - CG_GB1_1 OG1_GB1_11 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 4 95 - CG_GB1_1 C_GB1_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 97 + CG_GB1_1 N_GB1_11 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 91 + CG_GB1_1 OG1_GB1_11 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 4 95 + CG_GB1_1 C_GB1_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 97 CG_GB1_1 O_GB1_11 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 98 - CG_GB1_1 N_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 99 - CG_GB1_1 C_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 106 + CG_GB1_1 N_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 99 + CG_GB1_1 C_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 106 CG_GB1_1 O_GB1_12 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 107 - CG_GB1_1 N_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 108 - CG_GB1_1 NZ_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 115 - CG_GB1_1 C_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 116 + CG_GB1_1 N_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 108 + CG_GB1_1 NZ_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 115 + CG_GB1_1 C_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 116 CG_GB1_1 O_GB1_13 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 117 - CG_GB1_1 N_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 118 - CG_GB1_1 C_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 121 + CG_GB1_1 N_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 118 + CG_GB1_1 C_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 121 CG_GB1_1 O_GB1_14 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 122 - CG_GB1_1 N_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 123 - CG_GB1_1 CD_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 128 - CG_GB1_1 OE1_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 4 129 - CG_GB1_1 OE2_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 4 130 - CG_GB1_1 C_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 131 + CG_GB1_1 N_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 123 + CG_GB1_1 CD_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 128 + CG_GB1_1 OE1_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 4 129 + CG_GB1_1 OE2_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 4 130 + CG_GB1_1 C_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 131 CG_GB1_1 O_GB1_15 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 132 - CG_GB1_1 N_GB1_16 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 133 - CG_GB1_1 OG1_GB1_16 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 4 137 - CG_GB1_1 C_GB1_16 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 139 + CG_GB1_1 N_GB1_16 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 133 + CG_GB1_1 OG1_GB1_16 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 4 137 + CG_GB1_1 C_GB1_16 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 139 CG_GB1_1 O_GB1_16 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 140 - CG_GB1_1 N_GB1_17 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 141 - CG_GB1_1 OG1_GB1_17 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 4 145 - CG_GB1_1 C_GB1_17 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 147 + CG_GB1_1 N_GB1_17 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 141 + CG_GB1_1 OG1_GB1_17 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 4 145 + CG_GB1_1 C_GB1_17 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 147 CG_GB1_1 O_GB1_17 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 148 - CG_GB1_1 N_GB1_18 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 149 - CG_GB1_1 OG1_GB1_18 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 4 153 - CG_GB1_1 C_GB1_18 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 155 + CG_GB1_1 N_GB1_18 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 149 + CG_GB1_1 OG1_GB1_18 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 4 153 + CG_GB1_1 C_GB1_18 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 155 CG_GB1_1 O_GB1_18 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 156 - CG_GB1_1 N_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 157 - CG_GB1_1 CD_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 162 - CG_GB1_1 OE1_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 4 163 - CG_GB1_1 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 4 164 - CG_GB1_1 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 165 + CG_GB1_1 N_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 157 + CG_GB1_1 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 162 + CG_GB1_1 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 4 163 + CG_GB1_1 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 4 164 + CG_GB1_1 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 165 CG_GB1_1 O_GB1_19 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 166 - CG_GB1_1 N_GB1_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 167 - CG_GB1_1 C_GB1_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 171 + CG_GB1_1 N_GB1_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 167 + CG_GB1_1 C_GB1_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 171 CG_GB1_1 O_GB1_20 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 172 - CG_GB1_1 N_GB1_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 173 - CG_GB1_1 C_GB1_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 179 + CG_GB1_1 N_GB1_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 173 + CG_GB1_1 C_GB1_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 179 CG_GB1_1 O_GB1_21 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 180 - CG_GB1_1 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 181 - CG_GB1_1 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 185 - CG_GB1_1 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 4 186 - CG_GB1_1 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 4 187 - CG_GB1_1 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 188 + CG_GB1_1 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 181 + CG_GB1_1 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 185 + CG_GB1_1 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 4 186 + CG_GB1_1 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 4 187 + CG_GB1_1 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 188 CG_GB1_1 O_GB1_22 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 189 - CG_GB1_1 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 190 - CG_GB1_1 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 194 + CG_GB1_1 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 190 + CG_GB1_1 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 194 CG_GB1_1 O_GB1_23 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 195 - CG_GB1_1 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 196 - CG_GB1_1 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 200 + CG_GB1_1 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 196 + CG_GB1_1 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 200 CG_GB1_1 O_GB1_24 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 201 - CG_GB1_1 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 202 - CG_GB1_1 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 4 206 - CG_GB1_1 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 208 + CG_GB1_1 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 202 + CG_GB1_1 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 4 206 + CG_GB1_1 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 208 CG_GB1_1 O_GB1_25 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 209 - CG_GB1_1 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 210 - CG_GB1_1 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 214 + CG_GB1_1 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 210 + CG_GB1_1 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 214 CG_GB1_1 O_GB1_26 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 215 - CG_GB1_1 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 216 - CG_GB1_1 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 221 - CG_GB1_1 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 4 222 - CG_GB1_1 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 4 223 - CG_GB1_1 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 224 + CG_GB1_1 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 216 + CG_GB1_1 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 221 + CG_GB1_1 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 4 222 + CG_GB1_1 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 4 223 + CG_GB1_1 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 224 CG_GB1_1 O_GB1_27 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 225 - CG_GB1_1 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 226 - CG_GB1_1 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 233 - CG_GB1_1 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 234 + CG_GB1_1 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 226 + CG_GB1_1 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 233 + CG_GB1_1 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 234 CG_GB1_1 O_GB1_28 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 235 - CG_GB1_1 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 236 - CG_GB1_1 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 242 + CG_GB1_1 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 236 + CG_GB1_1 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 242 CG_GB1_1 O_GB1_29 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 243 - CG_GB1_1 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 244 - CG_GB1_1 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 254 + CG_GB1_1 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 244 + CG_GB1_1 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 254 CG_GB1_1 O_GB1_30 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 255 - CG_GB1_1 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 256 - CG_GB1_1 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 263 - CG_GB1_1 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 264 + CG_GB1_1 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 256 + CG_GB1_1 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 263 + CG_GB1_1 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 264 CG_GB1_1 O_GB1_31 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 265 - CG_GB1_1 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 266 - CG_GB1_1 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 271 + CG_GB1_1 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 266 + CG_GB1_1 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 271 CG_GB1_1 OE1_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 272 - CG_GB1_1 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 4 273 - CG_GB1_1 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 274 + CG_GB1_1 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 4 273 + CG_GB1_1 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 274 CG_GB1_1 O_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 275 - CG_GB1_1 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 276 - CG_GB1_1 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 4 286 - CG_GB1_1 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 287 + CG_GB1_1 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 276 + CG_GB1_1 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 4 286 + CG_GB1_1 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 287 CG_GB1_1 O_GB1_33 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 288 - CG_GB1_1 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 289 - CG_GB1_1 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 293 + CG_GB1_1 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 289 + CG_GB1_1 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 293 CG_GB1_1 O_GB1_34 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 294 - CG_GB1_1 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 295 - CG_GB1_1 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 299 + CG_GB1_1 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 295 + CG_GB1_1 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 299 CG_GB1_1 OD1_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 300 - CG_GB1_1 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 4 301 - CG_GB1_1 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 302 + CG_GB1_1 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 4 301 + CG_GB1_1 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 302 CG_GB1_1 O_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 303 - CG_GB1_1 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 304 - CG_GB1_1 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 308 - CG_GB1_1 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 4 309 - CG_GB1_1 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 4 310 - CG_GB1_1 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 311 + CG_GB1_1 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 304 + CG_GB1_1 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 308 + CG_GB1_1 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 4 309 + CG_GB1_1 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 4 310 + CG_GB1_1 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 311 CG_GB1_1 O_GB1_36 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 312 - CG_GB1_1 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 313 - CG_GB1_1 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 317 + CG_GB1_1 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 313 + CG_GB1_1 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 317 CG_GB1_1 OD1_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 318 - CG_GB1_1 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 4 319 - CG_GB1_1 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 320 + CG_GB1_1 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 4 319 + CG_GB1_1 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 320 CG_GB1_1 O_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 321 - CG_GB1_1 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 322 - CG_GB1_1 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 325 + CG_GB1_1 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 322 + CG_GB1_1 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 325 CG_GB1_1 O_GB1_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 326 - CG_GB1_1 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 327 - CG_GB1_1 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 333 + CG_GB1_1 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 327 + CG_GB1_1 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 333 CG_GB1_1 O_GB1_39 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 334 - CG_GB1_1 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 335 - CG_GB1_1 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 339 - CG_GB1_1 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 4 340 - CG_GB1_1 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 4 341 - CG_GB1_1 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 342 + CG_GB1_1 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 335 + CG_GB1_1 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 339 + CG_GB1_1 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 4 340 + CG_GB1_1 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 4 341 + CG_GB1_1 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 342 CG_GB1_1 O_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 343 - CG_GB1_1 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 344 - CG_GB1_1 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 347 + CG_GB1_1 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 344 + CG_GB1_1 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 347 CG_GB1_1 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 348 - CG_GB1_1 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 349 - CG_GB1_1 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 354 - CG_GB1_1 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 4 355 - CG_GB1_1 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 4 356 - CG_GB1_1 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 357 + CG_GB1_1 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 349 + CG_GB1_1 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 354 + CG_GB1_1 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 4 355 + CG_GB1_1 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 4 356 + CG_GB1_1 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 357 CG_GB1_1 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 358 - CG_GB1_1 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 359 - CG_GB1_1 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 4 366 - CG_GB1_1 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 372 + CG_GB1_1 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 359 + CG_GB1_1 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 4 366 + CG_GB1_1 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 372 CG_GB1_1 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 373 - CG_GB1_1 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 374 - CG_GB1_1 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 4 378 - CG_GB1_1 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 380 + CG_GB1_1 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 374 + CG_GB1_1 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 4 378 + CG_GB1_1 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 380 CG_GB1_1 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 381 - CG_GB1_1 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 382 - CG_GB1_1 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 4 392 - CG_GB1_1 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 393 + CG_GB1_1 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 382 + CG_GB1_1 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 4 392 + CG_GB1_1 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 393 CG_GB1_1 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 394 - CG_GB1_1 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 395 - CG_GB1_1 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 399 - CG_GB1_1 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 4 400 - CG_GB1_1 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 4 401 - CG_GB1_1 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 402 + CG_GB1_1 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 395 + CG_GB1_1 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 399 + CG_GB1_1 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 4 400 + CG_GB1_1 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 4 401 + CG_GB1_1 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 402 CG_GB1_1 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 403 - CG_GB1_1 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 404 - CG_GB1_1 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 408 - CG_GB1_1 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 4 409 - CG_GB1_1 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 4 410 - CG_GB1_1 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 411 + CG_GB1_1 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 404 + CG_GB1_1 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 408 + CG_GB1_1 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 4 409 + CG_GB1_1 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 4 410 + CG_GB1_1 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 411 CG_GB1_1 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 412 - CG_GB1_1 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 413 - CG_GB1_1 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 417 + CG_GB1_1 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 413 + CG_GB1_1 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 417 CG_GB1_1 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 418 - CG_GB1_1 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 419 - CG_GB1_1 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 4 423 - CG_GB1_1 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 425 + CG_GB1_1 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 419 + CG_GB1_1 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 4 423 + CG_GB1_1 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 425 CG_GB1_1 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 426 - CG_GB1_1 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 427 - CG_GB1_1 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 434 - CG_GB1_1 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 435 + CG_GB1_1 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 427 + CG_GB1_1 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 434 + CG_GB1_1 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 435 CG_GB1_1 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 436 - CG_GB1_1 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 437 - CG_GB1_1 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 4 441 - CG_GB1_1 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 443 + CG_GB1_1 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 437 + CG_GB1_1 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 4 441 + CG_GB1_1 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 443 CG_GB1_1 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 444 - CG_GB1_1 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 445 - CG_GB1_1 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 455 + CG_GB1_1 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 445 + CG_GB1_1 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 455 CG_GB1_1 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 456 - CG_GB1_1 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 457 - CG_GB1_1 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 4 461 - CG_GB1_1 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 463 + CG_GB1_1 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 457 + CG_GB1_1 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 4 461 + CG_GB1_1 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 463 CG_GB1_1 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 464 - CG_GB1_1 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 465 - CG_GB1_1 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 471 + CG_GB1_1 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 465 + CG_GB1_1 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 471 CG_GB1_1 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 472 - CG_GB1_1 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 473 - CG_GB1_1 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 4 477 - CG_GB1_1 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 479 + CG_GB1_1 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 473 + CG_GB1_1 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 4 477 + CG_GB1_1 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 479 CG_GB1_1 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 4 480 - CG_GB1_1 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 4 481 - CG_GB1_1 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 486 - CG_GB1_1 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 4 487 - CG_GB1_1 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 4 488 - CG_GB1_1 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 4 489 - CG_GB1_1 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 4 490 - CG_GB1_1 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 4 491 - SD_GB1_1 CE_GB1_1 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.0 1.0 1.0 1.0 False mg 7 5 6 - SD_GB1_1 CB_GB1_2 1 0.000000e+00 1.336327e-05 ; 1.190532e-05 -1.336327e-05 1.0 1.0 1.0 1.0 False mg 7 5 12 - SD_GB1_1 CG2_GB1_2 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.0 1.0 1.0 1.0 False mg 7 5 14 - SD_GB1_1 CB_GB1_3 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 20 - SD_GB1_1 CB_GB1_4 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 33 - SD_GB1_1 CG_GB1_4 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 34 - SD_GB1_1 CD_GB1_4 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 35 - SD_GB1_1 CE_GB1_4 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 36 - SD_GB1_1 CB_GB1_5 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 43 - SD_GB1_1 CG_GB1_5 1 0.000000e+00 1.336327e-05 ; 1.190532e-05 -1.336327e-05 1.0 1.0 1.0 1.0 False mg 7 5 44 - SD_GB1_1 CD1_GB1_5 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.0 1.0 1.0 1.0 False mg 7 5 45 - SD_GB1_1 CD2_GB1_5 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.0 1.0 1.0 1.0 False mg 7 5 46 - SD_GB1_1 CB_GB1_6 1 0.000000e+00 1.336327e-05 ; 1.190532e-05 -1.336327e-05 1.0 1.0 1.0 1.0 False mg 7 5 52 - SD_GB1_1 CG1_GB1_6 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 53 - SD_GB1_1 CG2_GB1_6 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.0 1.0 1.0 1.0 False mg 7 5 54 - SD_GB1_1 CD_GB1_6 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.0 1.0 1.0 1.0 False mg 7 5 55 - SD_GB1_1 CB_GB1_7 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 61 - SD_GB1_1 CG_GB1_7 1 0.000000e+00 1.336327e-05 ; 1.190532e-05 -1.336327e-05 1.0 1.0 1.0 1.0 False mg 7 5 62 - SD_GB1_1 CD1_GB1_7 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.0 1.0 1.0 1.0 False mg 7 5 63 - SD_GB1_1 CD2_GB1_7 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.0 1.0 1.0 1.0 False mg 7 5 64 - SD_GB1_1 CB_GB1_8 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 70 - SD_GB1_1 CA_GB1_9 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 78 - SD_GB1_1 CB_GB1_10 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 84 - SD_GB1_1 CG_GB1_10 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 85 - SD_GB1_1 CD_GB1_10 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 86 - SD_GB1_1 CE_GB1_10 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 87 - SD_GB1_1 CB_GB1_11 1 0.000000e+00 1.336327e-05 ; 1.190532e-05 -1.336327e-05 1.0 1.0 1.0 1.0 False mg 7 5 94 - SD_GB1_1 CG2_GB1_11 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.0 1.0 1.0 1.0 False mg 7 5 96 - SD_GB1_1 CB_GB1_12 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 102 - SD_GB1_1 CG_GB1_12 1 0.000000e+00 1.336327e-05 ; 1.190532e-05 -1.336327e-05 1.0 1.0 1.0 1.0 False mg 7 5 103 - SD_GB1_1 CD1_GB1_12 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.0 1.0 1.0 1.0 False mg 7 5 104 - SD_GB1_1 CD2_GB1_12 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.0 1.0 1.0 1.0 False mg 7 5 105 - SD_GB1_1 CB_GB1_13 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 111 - SD_GB1_1 CG_GB1_13 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 112 - SD_GB1_1 CD_GB1_13 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 113 - SD_GB1_1 CE_GB1_13 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 114 - SD_GB1_1 CA_GB1_14 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 120 - SD_GB1_1 CB_GB1_15 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 126 - SD_GB1_1 CG_GB1_15 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 127 - SD_GB1_1 CB_GB1_16 1 0.000000e+00 1.336327e-05 ; 1.190532e-05 -1.336327e-05 1.0 1.0 1.0 1.0 False mg 7 5 136 - SD_GB1_1 CG2_GB1_16 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.0 1.0 1.0 1.0 False mg 7 5 138 - SD_GB1_1 CB_GB1_17 1 0.000000e+00 1.336327e-05 ; 1.190532e-05 -1.336327e-05 1.0 1.0 1.0 1.0 False mg 7 5 144 - SD_GB1_1 CG2_GB1_17 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.0 1.0 1.0 1.0 False mg 7 5 146 - SD_GB1_1 CB_GB1_18 1 0.000000e+00 1.336327e-05 ; 1.190532e-05 -1.336327e-05 1.0 1.0 1.0 1.0 False mg 7 5 152 - SD_GB1_1 CG2_GB1_18 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.0 1.0 1.0 1.0 False mg 7 5 154 - SD_GB1_1 CB_GB1_19 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 160 - SD_GB1_1 CG_GB1_19 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 161 - SD_GB1_1 CB_GB1_20 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.0 1.0 1.0 1.0 False mg 7 5 170 - SD_GB1_1 CB_GB1_21 1 0.000000e+00 1.336327e-05 ; 1.190532e-05 -1.336327e-05 1.0 1.0 1.0 1.0 False mg 7 5 176 - SD_GB1_1 CG1_GB1_21 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.0 1.0 1.0 1.0 False mg 7 5 177 - SD_GB1_1 CG2_GB1_21 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.0 1.0 1.0 1.0 False mg 7 5 178 - SD_GB1_1 CB_GB1_22 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 184 - SD_GB1_1 CB_GB1_23 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.0 1.0 1.0 1.0 False mg 7 5 193 - SD_GB1_1 CB_GB1_24 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.0 1.0 1.0 1.0 False mg 7 5 199 - SD_GB1_1 CB_GB1_25 1 0.000000e+00 1.336327e-05 ; 1.190532e-05 -1.336327e-05 1.0 1.0 1.0 1.0 False mg 7 5 205 - SD_GB1_1 CG2_GB1_25 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.0 1.0 1.0 1.0 False mg 7 5 207 - SD_GB1_1 CB_GB1_26 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.0 1.0 1.0 1.0 False mg 7 5 213 - SD_GB1_1 CB_GB1_27 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 219 - SD_GB1_1 CG_GB1_27 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 220 - SD_GB1_1 CB_GB1_28 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 229 - SD_GB1_1 CG_GB1_28 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 230 - SD_GB1_1 CD_GB1_28 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 231 - SD_GB1_1 CE_GB1_28 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 232 - SD_GB1_1 CB_GB1_29 1 0.000000e+00 1.336327e-05 ; 1.190532e-05 -1.336327e-05 1.0 1.0 1.0 1.0 False mg 7 5 239 - SD_GB1_1 CG1_GB1_29 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.0 1.0 1.0 1.0 False mg 7 5 240 - SD_GB1_1 CG2_GB1_29 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.0 1.0 1.0 1.0 False mg 7 5 241 - SD_GB1_1 CB_GB1_30 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 247 - SD_GB1_1 CB_GB1_31 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 259 - SD_GB1_1 CG_GB1_31 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 260 - SD_GB1_1 CD_GB1_31 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 261 - SD_GB1_1 CE_GB1_31 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 262 - SD_GB1_1 CB_GB1_32 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 269 - SD_GB1_1 CG_GB1_32 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 270 - SD_GB1_1 CB_GB1_33 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 279 - SD_GB1_1 CB_GB1_34 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.0 1.0 1.0 1.0 False mg 7 5 292 - SD_GB1_1 CB_GB1_35 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 298 - SD_GB1_1 CB_GB1_36 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 307 - SD_GB1_1 CB_GB1_37 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 316 - SD_GB1_1 CA_GB1_38 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 324 - SD_GB1_1 CB_GB1_39 1 0.000000e+00 1.336327e-05 ; 1.190532e-05 -1.336327e-05 1.0 1.0 1.0 1.0 False mg 7 5 330 - SD_GB1_1 CG1_GB1_39 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.0 1.0 1.0 1.0 False mg 7 5 331 - SD_GB1_1 CG2_GB1_39 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.0 1.0 1.0 1.0 False mg 7 5 332 - SD_GB1_1 CB_GB1_40 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 338 - SD_GB1_1 CA_GB1_41 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 346 - SD_GB1_1 CB_GB1_42 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 352 - SD_GB1_1 CG_GB1_42 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 353 - SD_GB1_1 CB_GB1_43 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 362 - SD_GB1_1 CB_GB1_44 1 0.000000e+00 1.336327e-05 ; 1.190532e-05 -1.336327e-05 1.0 1.0 1.0 1.0 False mg 7 5 377 - SD_GB1_1 CG2_GB1_44 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.0 1.0 1.0 1.0 False mg 7 5 379 - SD_GB1_1 CB_GB1_45 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 385 - SD_GB1_1 CB_GB1_46 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 398 - SD_GB1_1 CB_GB1_47 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 407 - SD_GB1_1 CB_GB1_48 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.0 1.0 1.0 1.0 False mg 7 5 416 - SD_GB1_1 CB_GB1_49 1 0.000000e+00 1.336327e-05 ; 1.190532e-05 -1.336327e-05 1.0 1.0 1.0 1.0 False mg 7 5 422 - SD_GB1_1 CG2_GB1_49 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.0 1.0 1.0 1.0 False mg 7 5 424 - SD_GB1_1 CB_GB1_50 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 430 - SD_GB1_1 CG_GB1_50 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 431 - SD_GB1_1 CD_GB1_50 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 432 - SD_GB1_1 CE_GB1_50 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 433 - SD_GB1_1 CB_GB1_51 1 0.000000e+00 1.336327e-05 ; 1.190532e-05 -1.336327e-05 1.0 1.0 1.0 1.0 False mg 7 5 440 - SD_GB1_1 CG2_GB1_51 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.0 1.0 1.0 1.0 False mg 7 5 442 - SD_GB1_1 CB_GB1_52 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 448 - SD_GB1_1 CB_GB1_53 1 0.000000e+00 1.336327e-05 ; 1.190532e-05 -1.336327e-05 1.0 1.0 1.0 1.0 False mg 7 5 460 - SD_GB1_1 CG2_GB1_53 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.0 1.0 1.0 1.0 False mg 7 5 462 - SD_GB1_1 CB_GB1_54 1 0.000000e+00 1.336327e-05 ; 1.190532e-05 -1.336327e-05 1.0 1.0 1.0 1.0 False mg 7 5 468 - SD_GB1_1 CG1_GB1_54 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.0 1.0 1.0 1.0 False mg 7 5 469 - SD_GB1_1 CG2_GB1_54 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.0 1.0 1.0 1.0 False mg 7 5 470 - SD_GB1_1 CB_GB1_55 1 0.000000e+00 1.336327e-05 ; 1.190532e-05 -1.336327e-05 1.0 1.0 1.0 1.0 False mg 7 5 476 - SD_GB1_1 CG2_GB1_55 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.0 1.0 1.0 1.0 False mg 7 5 478 - SD_GB1_1 CB_GB1_56 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 484 - SD_GB1_1 CG_GB1_56 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.0 1.0 1.0 1.0 False mg 7 5 485 - CE_GB1_1 C_GB1_1 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 7 + CG_GB1_1 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 4 481 + CG_GB1_1 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 486 + CG_GB1_1 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 4 487 + CG_GB1_1 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 4 488 + CG_GB1_1 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 4 489 + CG_GB1_1 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 4 490 + CG_GB1_1 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 4 491 + SD_GB1_1 CE_GB1_1 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.0 1.0 1.0 1.0 False mg 7 5 6 + SD_GB1_1 CB_GB1_2 1 0.000000e+00 1.336341e-05 ; 1.190544e-05 -1.336341e-05 1.0 1.0 1.0 1.0 False mg 7 5 12 + SD_GB1_1 CG2_GB1_2 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.0 1.0 1.0 1.0 False mg 7 5 14 + SD_GB1_1 CB_GB1_3 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 20 + SD_GB1_1 CB_GB1_4 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 33 + SD_GB1_1 CG_GB1_4 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 34 + SD_GB1_1 CD_GB1_4 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 35 + SD_GB1_1 CE_GB1_4 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 36 + SD_GB1_1 CB_GB1_5 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 43 + SD_GB1_1 CG_GB1_5 1 0.000000e+00 1.336341e-05 ; 1.190544e-05 -1.336341e-05 1.0 1.0 1.0 1.0 False mg 7 5 44 + SD_GB1_1 CD1_GB1_5 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.0 1.0 1.0 1.0 False mg 7 5 45 + SD_GB1_1 CD2_GB1_5 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.0 1.0 1.0 1.0 False mg 7 5 46 + SD_GB1_1 CB_GB1_6 1 0.000000e+00 1.336341e-05 ; 1.190544e-05 -1.336341e-05 1.0 1.0 1.0 1.0 False mg 7 5 52 + SD_GB1_1 CG1_GB1_6 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 53 + SD_GB1_1 CG2_GB1_6 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.0 1.0 1.0 1.0 False mg 7 5 54 + SD_GB1_1 CD_GB1_6 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.0 1.0 1.0 1.0 False mg 7 5 55 + SD_GB1_1 CB_GB1_7 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 61 + SD_GB1_1 CG_GB1_7 1 0.000000e+00 1.336341e-05 ; 1.190544e-05 -1.336341e-05 1.0 1.0 1.0 1.0 False mg 7 5 62 + SD_GB1_1 CD1_GB1_7 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.0 1.0 1.0 1.0 False mg 7 5 63 + SD_GB1_1 CD2_GB1_7 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.0 1.0 1.0 1.0 False mg 7 5 64 + SD_GB1_1 CB_GB1_8 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 70 + SD_GB1_1 CA_GB1_9 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 78 + SD_GB1_1 CB_GB1_10 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 84 + SD_GB1_1 CG_GB1_10 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 85 + SD_GB1_1 CD_GB1_10 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 86 + SD_GB1_1 CE_GB1_10 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 87 + SD_GB1_1 CB_GB1_11 1 0.000000e+00 1.336341e-05 ; 1.190544e-05 -1.336341e-05 1.0 1.0 1.0 1.0 False mg 7 5 94 + SD_GB1_1 CG2_GB1_11 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.0 1.0 1.0 1.0 False mg 7 5 96 + SD_GB1_1 CB_GB1_12 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 102 + SD_GB1_1 CG_GB1_12 1 0.000000e+00 1.336341e-05 ; 1.190544e-05 -1.336341e-05 1.0 1.0 1.0 1.0 False mg 7 5 103 + SD_GB1_1 CD1_GB1_12 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.0 1.0 1.0 1.0 False mg 7 5 104 + SD_GB1_1 CD2_GB1_12 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.0 1.0 1.0 1.0 False mg 7 5 105 + SD_GB1_1 CB_GB1_13 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 111 + SD_GB1_1 CG_GB1_13 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 112 + SD_GB1_1 CD_GB1_13 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 113 + SD_GB1_1 CE_GB1_13 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 114 + SD_GB1_1 CA_GB1_14 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 120 + SD_GB1_1 CB_GB1_15 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 126 + SD_GB1_1 CG_GB1_15 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 127 + SD_GB1_1 CB_GB1_16 1 0.000000e+00 1.336341e-05 ; 1.190544e-05 -1.336341e-05 1.0 1.0 1.0 1.0 False mg 7 5 136 + SD_GB1_1 CG2_GB1_16 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.0 1.0 1.0 1.0 False mg 7 5 138 + SD_GB1_1 CB_GB1_17 1 0.000000e+00 1.336341e-05 ; 1.190544e-05 -1.336341e-05 1.0 1.0 1.0 1.0 False mg 7 5 144 + SD_GB1_1 CG2_GB1_17 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.0 1.0 1.0 1.0 False mg 7 5 146 + SD_GB1_1 CB_GB1_18 1 0.000000e+00 1.336341e-05 ; 1.190544e-05 -1.336341e-05 1.0 1.0 1.0 1.0 False mg 7 5 152 + SD_GB1_1 CG2_GB1_18 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.0 1.0 1.0 1.0 False mg 7 5 154 + SD_GB1_1 CB_GB1_19 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 160 + SD_GB1_1 CG_GB1_19 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 161 + SD_GB1_1 CB_GB1_20 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.0 1.0 1.0 1.0 False mg 7 5 170 + SD_GB1_1 CB_GB1_21 1 0.000000e+00 1.336341e-05 ; 1.190544e-05 -1.336341e-05 1.0 1.0 1.0 1.0 False mg 7 5 176 + SD_GB1_1 CG1_GB1_21 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.0 1.0 1.0 1.0 False mg 7 5 177 + SD_GB1_1 CG2_GB1_21 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.0 1.0 1.0 1.0 False mg 7 5 178 + SD_GB1_1 CB_GB1_22 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 184 + SD_GB1_1 CB_GB1_23 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.0 1.0 1.0 1.0 False mg 7 5 193 + SD_GB1_1 CB_GB1_24 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.0 1.0 1.0 1.0 False mg 7 5 199 + SD_GB1_1 CB_GB1_25 1 0.000000e+00 1.336341e-05 ; 1.190544e-05 -1.336341e-05 1.0 1.0 1.0 1.0 False mg 7 5 205 + SD_GB1_1 CG2_GB1_25 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.0 1.0 1.0 1.0 False mg 7 5 207 + SD_GB1_1 CB_GB1_26 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.0 1.0 1.0 1.0 False mg 7 5 213 + SD_GB1_1 CB_GB1_27 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 219 + SD_GB1_1 CG_GB1_27 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 220 + SD_GB1_1 CB_GB1_28 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 229 + SD_GB1_1 CG_GB1_28 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 230 + SD_GB1_1 CD_GB1_28 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 231 + SD_GB1_1 CE_GB1_28 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 232 + SD_GB1_1 CB_GB1_29 1 0.000000e+00 1.336341e-05 ; 1.190544e-05 -1.336341e-05 1.0 1.0 1.0 1.0 False mg 7 5 239 + SD_GB1_1 CG1_GB1_29 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.0 1.0 1.0 1.0 False mg 7 5 240 + SD_GB1_1 CG2_GB1_29 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.0 1.0 1.0 1.0 False mg 7 5 241 + SD_GB1_1 CB_GB1_30 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 247 + SD_GB1_1 CB_GB1_31 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 259 + SD_GB1_1 CG_GB1_31 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 260 + SD_GB1_1 CD_GB1_31 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 261 + SD_GB1_1 CE_GB1_31 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 262 + SD_GB1_1 CB_GB1_32 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 269 + SD_GB1_1 CG_GB1_32 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 270 + SD_GB1_1 CB_GB1_33 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 279 + SD_GB1_1 CB_GB1_34 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.0 1.0 1.0 1.0 False mg 7 5 292 + SD_GB1_1 CB_GB1_35 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 298 + SD_GB1_1 CB_GB1_36 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 307 + SD_GB1_1 CB_GB1_37 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 316 + SD_GB1_1 CA_GB1_38 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 324 + SD_GB1_1 CB_GB1_39 1 0.000000e+00 1.336341e-05 ; 1.190544e-05 -1.336341e-05 1.0 1.0 1.0 1.0 False mg 7 5 330 + SD_GB1_1 CG1_GB1_39 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.0 1.0 1.0 1.0 False mg 7 5 331 + SD_GB1_1 CG2_GB1_39 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.0 1.0 1.0 1.0 False mg 7 5 332 + SD_GB1_1 CB_GB1_40 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 338 + SD_GB1_1 CA_GB1_41 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 346 + SD_GB1_1 CB_GB1_42 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 352 + SD_GB1_1 CG_GB1_42 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 353 + SD_GB1_1 CB_GB1_43 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 362 + SD_GB1_1 CB_GB1_44 1 0.000000e+00 1.336341e-05 ; 1.190544e-05 -1.336341e-05 1.0 1.0 1.0 1.0 False mg 7 5 377 + SD_GB1_1 CG2_GB1_44 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.0 1.0 1.0 1.0 False mg 7 5 379 + SD_GB1_1 CB_GB1_45 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 385 + SD_GB1_1 CB_GB1_46 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 398 + SD_GB1_1 CB_GB1_47 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 407 + SD_GB1_1 CB_GB1_48 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.0 1.0 1.0 1.0 False mg 7 5 416 + SD_GB1_1 CB_GB1_49 1 0.000000e+00 1.336341e-05 ; 1.190544e-05 -1.336341e-05 1.0 1.0 1.0 1.0 False mg 7 5 422 + SD_GB1_1 CG2_GB1_49 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.0 1.0 1.0 1.0 False mg 7 5 424 + SD_GB1_1 CB_GB1_50 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 430 + SD_GB1_1 CG_GB1_50 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 431 + SD_GB1_1 CD_GB1_50 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 432 + SD_GB1_1 CE_GB1_50 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 433 + SD_GB1_1 CB_GB1_51 1 0.000000e+00 1.336341e-05 ; 1.190544e-05 -1.336341e-05 1.0 1.0 1.0 1.0 False mg 7 5 440 + SD_GB1_1 CG2_GB1_51 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.0 1.0 1.0 1.0 False mg 7 5 442 + SD_GB1_1 CB_GB1_52 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 448 + SD_GB1_1 CB_GB1_53 1 0.000000e+00 1.336341e-05 ; 1.190544e-05 -1.336341e-05 1.0 1.0 1.0 1.0 False mg 7 5 460 + SD_GB1_1 CG2_GB1_53 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.0 1.0 1.0 1.0 False mg 7 5 462 + SD_GB1_1 CB_GB1_54 1 0.000000e+00 1.336341e-05 ; 1.190544e-05 -1.336341e-05 1.0 1.0 1.0 1.0 False mg 7 5 468 + SD_GB1_1 CG1_GB1_54 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.0 1.0 1.0 1.0 False mg 7 5 469 + SD_GB1_1 CG2_GB1_54 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.0 1.0 1.0 1.0 False mg 7 5 470 + SD_GB1_1 CB_GB1_55 1 0.000000e+00 1.336341e-05 ; 1.190544e-05 -1.336341e-05 1.0 1.0 1.0 1.0 False mg 7 5 476 + SD_GB1_1 CG2_GB1_55 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.0 1.0 1.0 1.0 False mg 7 5 478 + SD_GB1_1 CB_GB1_56 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 484 + SD_GB1_1 CG_GB1_56 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.0 1.0 1.0 1.0 False mg 7 5 485 + CE_GB1_1 C_GB1_1 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 7 CE_GB1_1 O_GB1_1 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 8 - CE_GB1_1 N_GB1_2 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 9 - CE_GB1_1 OG1_GB1_2 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 6 13 - CE_GB1_1 C_GB1_2 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 15 + CE_GB1_1 N_GB1_2 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 9 + CE_GB1_1 OG1_GB1_2 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 6 13 + CE_GB1_1 C_GB1_2 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 15 CE_GB1_1 O_GB1_2 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 16 - CE_GB1_1 N_GB1_3 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 17 - CE_GB1_1 OH_GB1_3 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 6 27 - CE_GB1_1 C_GB1_3 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 28 + CE_GB1_1 N_GB1_3 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 17 + CE_GB1_1 OH_GB1_3 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 6 27 + CE_GB1_1 C_GB1_3 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 28 CE_GB1_1 O_GB1_3 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 29 - CE_GB1_1 N_GB1_4 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 30 - CE_GB1_1 NZ_GB1_4 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 37 - CE_GB1_1 C_GB1_4 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 38 + CE_GB1_1 N_GB1_4 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 30 + CE_GB1_1 NZ_GB1_4 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 37 + CE_GB1_1 C_GB1_4 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 38 CE_GB1_1 O_GB1_4 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 39 - CE_GB1_1 N_GB1_5 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 40 - CE_GB1_1 C_GB1_5 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 47 + CE_GB1_1 N_GB1_5 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 40 + CE_GB1_1 C_GB1_5 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 47 CE_GB1_1 O_GB1_5 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 48 - CE_GB1_1 N_GB1_6 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 49 - CE_GB1_1 C_GB1_6 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 56 + CE_GB1_1 N_GB1_6 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 49 + CE_GB1_1 C_GB1_6 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 56 CE_GB1_1 O_GB1_6 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 57 - CE_GB1_1 N_GB1_7 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 58 - CE_GB1_1 C_GB1_7 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 65 + CE_GB1_1 N_GB1_7 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 58 + CE_GB1_1 C_GB1_7 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 65 CE_GB1_1 O_GB1_7 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 66 - CE_GB1_1 N_GB1_8 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 67 - CE_GB1_1 CG_GB1_8 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 71 + CE_GB1_1 N_GB1_8 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 67 + CE_GB1_1 CG_GB1_8 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 71 CE_GB1_1 OD1_GB1_8 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 72 - CE_GB1_1 ND2_GB1_8 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 6 73 - CE_GB1_1 C_GB1_8 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 74 + CE_GB1_1 ND2_GB1_8 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 6 73 + CE_GB1_1 C_GB1_8 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 74 CE_GB1_1 O_GB1_8 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 75 - CE_GB1_1 N_GB1_9 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 76 - CE_GB1_1 C_GB1_9 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 79 + CE_GB1_1 N_GB1_9 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 76 + CE_GB1_1 C_GB1_9 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 79 CE_GB1_1 O_GB1_9 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 80 - CE_GB1_1 N_GB1_10 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 81 - CE_GB1_1 NZ_GB1_10 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 88 - CE_GB1_1 C_GB1_10 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 89 + CE_GB1_1 N_GB1_10 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 81 + CE_GB1_1 NZ_GB1_10 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 88 + CE_GB1_1 C_GB1_10 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 89 CE_GB1_1 O_GB1_10 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 90 - CE_GB1_1 N_GB1_11 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 91 - CE_GB1_1 OG1_GB1_11 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 6 95 - CE_GB1_1 C_GB1_11 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 97 + CE_GB1_1 N_GB1_11 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 91 + CE_GB1_1 OG1_GB1_11 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 6 95 + CE_GB1_1 C_GB1_11 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 97 CE_GB1_1 O_GB1_11 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 98 - CE_GB1_1 N_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 99 - CE_GB1_1 C_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 106 + CE_GB1_1 N_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 99 + CE_GB1_1 C_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 106 CE_GB1_1 O_GB1_12 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 107 - CE_GB1_1 N_GB1_13 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 108 - CE_GB1_1 NZ_GB1_13 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 115 - CE_GB1_1 C_GB1_13 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 116 + CE_GB1_1 N_GB1_13 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 108 + CE_GB1_1 NZ_GB1_13 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 115 + CE_GB1_1 C_GB1_13 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 116 CE_GB1_1 O_GB1_13 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 117 - CE_GB1_1 N_GB1_14 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 118 - CE_GB1_1 C_GB1_14 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 121 + CE_GB1_1 N_GB1_14 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 118 + CE_GB1_1 C_GB1_14 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 121 CE_GB1_1 O_GB1_14 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 122 - CE_GB1_1 N_GB1_15 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 123 - CE_GB1_1 CD_GB1_15 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 128 + CE_GB1_1 N_GB1_15 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 123 + CE_GB1_1 CD_GB1_15 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 128 CE_GB1_1 OE1_GB1_15 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 6 129 CE_GB1_1 OE2_GB1_15 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 6 130 - CE_GB1_1 C_GB1_15 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 131 + CE_GB1_1 C_GB1_15 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 131 CE_GB1_1 O_GB1_15 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 132 - CE_GB1_1 N_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 133 - CE_GB1_1 OG1_GB1_16 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 6 137 - CE_GB1_1 C_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 139 + CE_GB1_1 N_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 133 + CE_GB1_1 OG1_GB1_16 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 6 137 + CE_GB1_1 C_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 139 CE_GB1_1 O_GB1_16 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 140 - CE_GB1_1 N_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 141 - CE_GB1_1 OG1_GB1_17 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 6 145 - CE_GB1_1 C_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 147 + CE_GB1_1 N_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 141 + CE_GB1_1 OG1_GB1_17 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 6 145 + CE_GB1_1 C_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 147 CE_GB1_1 O_GB1_17 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 148 - CE_GB1_1 N_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 149 - CE_GB1_1 OG1_GB1_18 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 6 153 - CE_GB1_1 C_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 155 + CE_GB1_1 N_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 149 + CE_GB1_1 OG1_GB1_18 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 6 153 + CE_GB1_1 C_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 155 CE_GB1_1 O_GB1_18 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 156 - CE_GB1_1 N_GB1_19 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 157 - CE_GB1_1 CD_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 162 + CE_GB1_1 N_GB1_19 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 157 + CE_GB1_1 CD_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 162 CE_GB1_1 OE1_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 6 163 CE_GB1_1 OE2_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 6 164 - CE_GB1_1 C_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 165 + CE_GB1_1 C_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 165 CE_GB1_1 O_GB1_19 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 166 - CE_GB1_1 N_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 167 - CE_GB1_1 C_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 171 + CE_GB1_1 N_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 167 + CE_GB1_1 C_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 171 CE_GB1_1 O_GB1_20 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 172 - CE_GB1_1 N_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 173 - CE_GB1_1 C_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 179 + CE_GB1_1 N_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 173 + CE_GB1_1 C_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 179 CE_GB1_1 O_GB1_21 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 180 - CE_GB1_1 N_GB1_22 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 181 - CE_GB1_1 CG_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 185 + CE_GB1_1 N_GB1_22 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 181 + CE_GB1_1 CG_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 185 CE_GB1_1 OD1_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 6 186 CE_GB1_1 OD2_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 6 187 - CE_GB1_1 C_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 188 + CE_GB1_1 C_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 188 CE_GB1_1 O_GB1_22 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 189 - CE_GB1_1 N_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 190 - CE_GB1_1 C_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 194 + CE_GB1_1 N_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 190 + CE_GB1_1 C_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 194 CE_GB1_1 O_GB1_23 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 195 - CE_GB1_1 N_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 196 - CE_GB1_1 C_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 200 + CE_GB1_1 N_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 196 + CE_GB1_1 C_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 200 CE_GB1_1 O_GB1_24 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 201 - CE_GB1_1 N_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 202 - CE_GB1_1 OG1_GB1_25 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 6 206 - CE_GB1_1 C_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 208 + CE_GB1_1 N_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 202 + CE_GB1_1 OG1_GB1_25 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 6 206 + CE_GB1_1 C_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 208 CE_GB1_1 O_GB1_25 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 209 - CE_GB1_1 N_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 210 - CE_GB1_1 C_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 214 + CE_GB1_1 N_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 210 + CE_GB1_1 C_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 214 CE_GB1_1 O_GB1_26 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 215 - CE_GB1_1 N_GB1_27 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 216 - CE_GB1_1 CD_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 221 + CE_GB1_1 N_GB1_27 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 216 + CE_GB1_1 CD_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 221 CE_GB1_1 OE1_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 6 222 CE_GB1_1 OE2_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 6 223 - CE_GB1_1 C_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 224 + CE_GB1_1 C_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 224 CE_GB1_1 O_GB1_27 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 225 - CE_GB1_1 N_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 226 - CE_GB1_1 NZ_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 233 - CE_GB1_1 C_GB1_28 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 234 + CE_GB1_1 N_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 226 + CE_GB1_1 NZ_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 233 + CE_GB1_1 C_GB1_28 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 234 CE_GB1_1 O_GB1_28 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 235 - CE_GB1_1 N_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 236 - CE_GB1_1 C_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 242 + CE_GB1_1 N_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 236 + CE_GB1_1 C_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 242 CE_GB1_1 O_GB1_29 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 243 - CE_GB1_1 N_GB1_30 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 244 - CE_GB1_1 C_GB1_30 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 254 + CE_GB1_1 N_GB1_30 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 244 + CE_GB1_1 C_GB1_30 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 254 CE_GB1_1 O_GB1_30 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 255 - CE_GB1_1 N_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 256 - CE_GB1_1 NZ_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 263 - CE_GB1_1 C_GB1_31 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 264 + CE_GB1_1 N_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 256 + CE_GB1_1 NZ_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 263 + CE_GB1_1 C_GB1_31 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 264 CE_GB1_1 O_GB1_31 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 265 - CE_GB1_1 N_GB1_32 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 266 - CE_GB1_1 CD_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 271 + CE_GB1_1 N_GB1_32 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 266 + CE_GB1_1 CD_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 271 CE_GB1_1 OE1_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 272 - CE_GB1_1 NE2_GB1_32 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 6 273 - CE_GB1_1 C_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 274 + CE_GB1_1 NE2_GB1_32 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 6 273 + CE_GB1_1 C_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 274 CE_GB1_1 O_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 275 - CE_GB1_1 N_GB1_33 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 276 - CE_GB1_1 OH_GB1_33 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 6 286 - CE_GB1_1 C_GB1_33 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 287 + CE_GB1_1 N_GB1_33 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 276 + CE_GB1_1 OH_GB1_33 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 6 286 + CE_GB1_1 C_GB1_33 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 287 CE_GB1_1 O_GB1_33 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 288 - CE_GB1_1 N_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 289 - CE_GB1_1 C_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 293 + CE_GB1_1 N_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 289 + CE_GB1_1 C_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 293 CE_GB1_1 O_GB1_34 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 294 - CE_GB1_1 N_GB1_35 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 295 - CE_GB1_1 CG_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 299 + CE_GB1_1 N_GB1_35 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 295 + CE_GB1_1 CG_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 299 CE_GB1_1 OD1_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 300 - CE_GB1_1 ND2_GB1_35 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 6 301 - CE_GB1_1 C_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 302 + CE_GB1_1 ND2_GB1_35 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 6 301 + CE_GB1_1 C_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 302 CE_GB1_1 O_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 303 - CE_GB1_1 N_GB1_36 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 304 - CE_GB1_1 CG_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 308 + CE_GB1_1 N_GB1_36 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 304 + CE_GB1_1 CG_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 308 CE_GB1_1 OD1_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 6 309 CE_GB1_1 OD2_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 6 310 - CE_GB1_1 C_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 311 + CE_GB1_1 C_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 311 CE_GB1_1 O_GB1_36 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 312 - CE_GB1_1 N_GB1_37 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 313 - CE_GB1_1 CG_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 317 + CE_GB1_1 N_GB1_37 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 313 + CE_GB1_1 CG_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 317 CE_GB1_1 OD1_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 318 - CE_GB1_1 ND2_GB1_37 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 6 319 - CE_GB1_1 C_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 320 + CE_GB1_1 ND2_GB1_37 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 6 319 + CE_GB1_1 C_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 320 CE_GB1_1 O_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 321 - CE_GB1_1 N_GB1_38 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 322 - CE_GB1_1 C_GB1_38 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 325 + CE_GB1_1 N_GB1_38 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 322 + CE_GB1_1 C_GB1_38 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 325 CE_GB1_1 O_GB1_38 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 326 - CE_GB1_1 N_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 327 - CE_GB1_1 C_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 333 + CE_GB1_1 N_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 327 + CE_GB1_1 C_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 333 CE_GB1_1 O_GB1_39 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 334 - CE_GB1_1 N_GB1_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 335 - CE_GB1_1 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 339 + CE_GB1_1 N_GB1_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 335 + CE_GB1_1 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 339 CE_GB1_1 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 6 340 CE_GB1_1 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 6 341 - CE_GB1_1 C_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 342 + CE_GB1_1 C_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 342 CE_GB1_1 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 343 - CE_GB1_1 N_GB1_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 344 - CE_GB1_1 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 347 + CE_GB1_1 N_GB1_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 344 + CE_GB1_1 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 347 CE_GB1_1 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 348 - CE_GB1_1 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 349 - CE_GB1_1 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 354 + CE_GB1_1 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 349 + CE_GB1_1 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 354 CE_GB1_1 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 6 355 CE_GB1_1 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 6 356 - CE_GB1_1 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 357 + CE_GB1_1 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 357 CE_GB1_1 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 358 - CE_GB1_1 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 359 - CE_GB1_1 NE1_GB1_43 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.0 1.0 1.0 1.0 False mg 7 6 366 - CE_GB1_1 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 372 + CE_GB1_1 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 359 + CE_GB1_1 NE1_GB1_43 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.0 1.0 1.0 1.0 False mg 7 6 366 + CE_GB1_1 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 372 CE_GB1_1 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 373 - CE_GB1_1 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 374 - CE_GB1_1 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 6 378 - CE_GB1_1 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 380 + CE_GB1_1 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 374 + CE_GB1_1 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 6 378 + CE_GB1_1 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 380 CE_GB1_1 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 381 - CE_GB1_1 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 382 - CE_GB1_1 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 6 392 - CE_GB1_1 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 393 + CE_GB1_1 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 382 + CE_GB1_1 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 6 392 + CE_GB1_1 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 393 CE_GB1_1 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 394 - CE_GB1_1 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 395 - CE_GB1_1 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 399 + CE_GB1_1 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 395 + CE_GB1_1 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 399 CE_GB1_1 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 6 400 CE_GB1_1 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 6 401 - CE_GB1_1 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 402 + CE_GB1_1 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 402 CE_GB1_1 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 403 - CE_GB1_1 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 404 - CE_GB1_1 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 408 + CE_GB1_1 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 404 + CE_GB1_1 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 408 CE_GB1_1 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 6 409 CE_GB1_1 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 6 410 - CE_GB1_1 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 411 + CE_GB1_1 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 411 CE_GB1_1 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 412 - CE_GB1_1 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 413 - CE_GB1_1 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 417 + CE_GB1_1 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 413 + CE_GB1_1 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 417 CE_GB1_1 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 418 - CE_GB1_1 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 419 - CE_GB1_1 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 6 423 - CE_GB1_1 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 425 + CE_GB1_1 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 419 + CE_GB1_1 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 6 423 + CE_GB1_1 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 425 CE_GB1_1 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 426 - CE_GB1_1 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 427 - CE_GB1_1 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 434 - CE_GB1_1 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 435 + CE_GB1_1 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 427 + CE_GB1_1 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 434 + CE_GB1_1 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 435 CE_GB1_1 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 436 - CE_GB1_1 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 437 - CE_GB1_1 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 6 441 - CE_GB1_1 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 443 + CE_GB1_1 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 437 + CE_GB1_1 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 6 441 + CE_GB1_1 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 443 CE_GB1_1 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 444 - CE_GB1_1 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 445 - CE_GB1_1 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 455 + CE_GB1_1 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 445 + CE_GB1_1 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 455 CE_GB1_1 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 456 - CE_GB1_1 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 457 - CE_GB1_1 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 6 461 - CE_GB1_1 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 463 + CE_GB1_1 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 457 + CE_GB1_1 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 6 461 + CE_GB1_1 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 463 CE_GB1_1 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 464 - CE_GB1_1 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 465 - CE_GB1_1 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 471 + CE_GB1_1 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 465 + CE_GB1_1 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 471 CE_GB1_1 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 472 - CE_GB1_1 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 473 - CE_GB1_1 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 6 477 - CE_GB1_1 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 479 + CE_GB1_1 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 473 + CE_GB1_1 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 6 477 + CE_GB1_1 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 479 CE_GB1_1 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 6 480 - CE_GB1_1 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 6 481 - CE_GB1_1 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 486 + CE_GB1_1 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 6 481 + CE_GB1_1 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 486 CE_GB1_1 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 6 487 CE_GB1_1 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 6 488 - CE_GB1_1 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 6 489 + CE_GB1_1 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 6 489 CE_GB1_1 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 6 490 CE_GB1_1 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 6 491 - C_GB1_1 CB_GB1_2 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 7 12 - C_GB1_1 CG2_GB1_2 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 7 14 - C_GB1_1 CB_GB1_3 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 20 - C_GB1_1 CB_GB1_4 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 33 - C_GB1_1 CG_GB1_4 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 34 - C_GB1_1 CD_GB1_4 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 35 - C_GB1_1 CE_GB1_4 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 36 - C_GB1_1 CB_GB1_5 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 43 - C_GB1_1 CG_GB1_5 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 7 44 - C_GB1_1 CD1_GB1_5 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 7 45 - C_GB1_1 CD2_GB1_5 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 7 46 - C_GB1_1 CB_GB1_6 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 7 52 - C_GB1_1 CG1_GB1_6 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 53 - C_GB1_1 CG2_GB1_6 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 7 54 - C_GB1_1 CD_GB1_6 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 7 55 - C_GB1_1 CB_GB1_7 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 61 - C_GB1_1 CG_GB1_7 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 7 62 - C_GB1_1 CD1_GB1_7 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 7 63 - C_GB1_1 CD2_GB1_7 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 7 64 - C_GB1_1 CB_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 70 - C_GB1_1 CA_GB1_9 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 78 - C_GB1_1 CB_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 84 - C_GB1_1 CG_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 85 - C_GB1_1 CD_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 86 - C_GB1_1 CE_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 87 - C_GB1_1 CB_GB1_11 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 7 94 - C_GB1_1 CG2_GB1_11 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 7 96 - C_GB1_1 CB_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 102 - C_GB1_1 CG_GB1_12 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 7 103 - C_GB1_1 CD1_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 7 104 - C_GB1_1 CD2_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 7 105 - C_GB1_1 CB_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 111 - C_GB1_1 CG_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 112 - C_GB1_1 CD_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 113 - C_GB1_1 CE_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 114 - C_GB1_1 CA_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 120 - C_GB1_1 CB_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 126 - C_GB1_1 CG_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 127 - C_GB1_1 CB_GB1_16 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 7 136 - C_GB1_1 CG2_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 7 138 - C_GB1_1 CB_GB1_17 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 7 144 - C_GB1_1 CG2_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 7 146 - C_GB1_1 CB_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 7 152 - C_GB1_1 CG2_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 7 154 - C_GB1_1 CB_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 160 - C_GB1_1 CG_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 161 - C_GB1_1 CB_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 7 170 - C_GB1_1 CB_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 7 176 - C_GB1_1 CG1_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 7 177 - C_GB1_1 CG2_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 7 178 - C_GB1_1 CB_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 184 - C_GB1_1 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 7 193 - C_GB1_1 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 7 199 - C_GB1_1 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 7 205 - C_GB1_1 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 7 207 - C_GB1_1 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 7 213 - C_GB1_1 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 219 - C_GB1_1 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 220 - C_GB1_1 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 229 - C_GB1_1 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 230 - C_GB1_1 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 231 - C_GB1_1 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 232 - C_GB1_1 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 7 239 - C_GB1_1 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 7 240 - C_GB1_1 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 7 241 - C_GB1_1 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 247 - C_GB1_1 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 259 - C_GB1_1 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 260 - C_GB1_1 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 261 - C_GB1_1 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 262 - C_GB1_1 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 269 - C_GB1_1 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 270 - C_GB1_1 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 279 - C_GB1_1 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 7 292 - C_GB1_1 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 298 - C_GB1_1 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 307 - C_GB1_1 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 316 - C_GB1_1 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 324 - C_GB1_1 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 7 330 - C_GB1_1 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 7 331 - C_GB1_1 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 7 332 - C_GB1_1 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 338 - C_GB1_1 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 346 - C_GB1_1 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 352 - C_GB1_1 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 353 - C_GB1_1 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 362 - C_GB1_1 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 7 377 - C_GB1_1 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 7 379 - C_GB1_1 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 385 - C_GB1_1 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 398 - C_GB1_1 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 407 - C_GB1_1 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 7 416 - C_GB1_1 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 7 422 - C_GB1_1 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 7 424 - C_GB1_1 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 430 - C_GB1_1 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 431 - C_GB1_1 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 432 - C_GB1_1 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 433 - C_GB1_1 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 7 440 - C_GB1_1 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 7 442 - C_GB1_1 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 448 - C_GB1_1 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 7 460 - C_GB1_1 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 7 462 - C_GB1_1 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 7 468 - C_GB1_1 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 7 469 - C_GB1_1 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 7 470 - C_GB1_1 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 7 476 - C_GB1_1 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 7 478 - C_GB1_1 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 484 - C_GB1_1 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 7 485 + C_GB1_1 CB_GB1_2 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 7 12 + C_GB1_1 CG2_GB1_2 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 7 14 + C_GB1_1 CB_GB1_3 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 20 + C_GB1_1 CB_GB1_4 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 33 + C_GB1_1 CG_GB1_4 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 34 + C_GB1_1 CD_GB1_4 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 35 + C_GB1_1 CE_GB1_4 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 36 + C_GB1_1 CB_GB1_5 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 43 + C_GB1_1 CG_GB1_5 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 7 44 + C_GB1_1 CD1_GB1_5 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 7 45 + C_GB1_1 CD2_GB1_5 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 7 46 + C_GB1_1 CB_GB1_6 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 7 52 + C_GB1_1 CG1_GB1_6 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 53 + C_GB1_1 CG2_GB1_6 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 7 54 + C_GB1_1 CD_GB1_6 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 7 55 + C_GB1_1 CB_GB1_7 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 61 + C_GB1_1 CG_GB1_7 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 7 62 + C_GB1_1 CD1_GB1_7 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 7 63 + C_GB1_1 CD2_GB1_7 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 7 64 + C_GB1_1 CB_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 70 + C_GB1_1 CA_GB1_9 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 78 + C_GB1_1 CB_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 84 + C_GB1_1 CG_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 85 + C_GB1_1 CD_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 86 + C_GB1_1 CE_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 87 + C_GB1_1 CB_GB1_11 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 7 94 + C_GB1_1 CG2_GB1_11 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 7 96 + C_GB1_1 CB_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 102 + C_GB1_1 CG_GB1_12 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 7 103 + C_GB1_1 CD1_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 7 104 + C_GB1_1 CD2_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 7 105 + C_GB1_1 CB_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 111 + C_GB1_1 CG_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 112 + C_GB1_1 CD_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 113 + C_GB1_1 CE_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 114 + C_GB1_1 CA_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 120 + C_GB1_1 CB_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 126 + C_GB1_1 CG_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 127 + C_GB1_1 CB_GB1_16 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 7 136 + C_GB1_1 CG2_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 7 138 + C_GB1_1 CB_GB1_17 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 7 144 + C_GB1_1 CG2_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 7 146 + C_GB1_1 CB_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 7 152 + C_GB1_1 CG2_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 7 154 + C_GB1_1 CB_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 160 + C_GB1_1 CG_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 161 + C_GB1_1 CB_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 7 170 + C_GB1_1 CB_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 7 176 + C_GB1_1 CG1_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 7 177 + C_GB1_1 CG2_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 7 178 + C_GB1_1 CB_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 184 + C_GB1_1 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 7 193 + C_GB1_1 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 7 199 + C_GB1_1 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 7 205 + C_GB1_1 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 7 207 + C_GB1_1 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 7 213 + C_GB1_1 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 219 + C_GB1_1 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 220 + C_GB1_1 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 229 + C_GB1_1 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 230 + C_GB1_1 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 231 + C_GB1_1 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 232 + C_GB1_1 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 7 239 + C_GB1_1 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 7 240 + C_GB1_1 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 7 241 + C_GB1_1 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 247 + C_GB1_1 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 259 + C_GB1_1 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 260 + C_GB1_1 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 261 + C_GB1_1 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 262 + C_GB1_1 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 269 + C_GB1_1 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 270 + C_GB1_1 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 279 + C_GB1_1 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 7 292 + C_GB1_1 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 298 + C_GB1_1 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 307 + C_GB1_1 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 316 + C_GB1_1 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 324 + C_GB1_1 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 7 330 + C_GB1_1 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 7 331 + C_GB1_1 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 7 332 + C_GB1_1 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 338 + C_GB1_1 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 346 + C_GB1_1 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 352 + C_GB1_1 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 353 + C_GB1_1 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 362 + C_GB1_1 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 7 377 + C_GB1_1 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 7 379 + C_GB1_1 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 385 + C_GB1_1 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 398 + C_GB1_1 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 407 + C_GB1_1 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 7 416 + C_GB1_1 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 7 422 + C_GB1_1 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 7 424 + C_GB1_1 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 430 + C_GB1_1 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 431 + C_GB1_1 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 432 + C_GB1_1 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 433 + C_GB1_1 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 7 440 + C_GB1_1 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 7 442 + C_GB1_1 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 448 + C_GB1_1 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 7 460 + C_GB1_1 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 7 462 + C_GB1_1 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 7 468 + C_GB1_1 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 7 469 + C_GB1_1 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 7 470 + C_GB1_1 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 7 476 + C_GB1_1 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 7 478 + C_GB1_1 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 484 + C_GB1_1 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 7 485 O_GB1_1 O_GB1_1 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 8 8 O_GB1_1 H_GB1_2 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 8 10 O_GB1_1 CB_GB1_2 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 8 12 @@ -1782,116 +1782,116 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573658e-04 5.159165e-08 O_GB1_1 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 8 488 O_GB1_1 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 8 490 O_GB1_1 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 8 491 - N_GB1_2 CB_GB1_2 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 9 12 - N_GB1_2 CG2_GB1_2 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 9 14 - N_GB1_2 CB_GB1_3 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 20 - N_GB1_2 CB_GB1_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 33 - N_GB1_2 CG_GB1_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 34 - N_GB1_2 CD_GB1_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 35 - N_GB1_2 CE_GB1_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 36 - N_GB1_2 CB_GB1_5 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 43 - N_GB1_2 CG_GB1_5 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 9 44 - N_GB1_2 CD1_GB1_5 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 9 45 - N_GB1_2 CD2_GB1_5 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 9 46 - N_GB1_2 CB_GB1_6 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 9 52 - N_GB1_2 CG1_GB1_6 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 53 - N_GB1_2 CG2_GB1_6 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 9 54 - N_GB1_2 CD_GB1_6 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 9 55 - N_GB1_2 CB_GB1_7 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 61 - N_GB1_2 CG_GB1_7 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 9 62 - N_GB1_2 CD1_GB1_7 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 9 63 - N_GB1_2 CD2_GB1_7 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 9 64 - N_GB1_2 CB_GB1_8 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 70 - N_GB1_2 CA_GB1_9 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 78 - N_GB1_2 CB_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 84 - N_GB1_2 CG_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 85 - N_GB1_2 CD_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 86 - N_GB1_2 CE_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 87 - N_GB1_2 CB_GB1_11 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 9 94 - N_GB1_2 CG2_GB1_11 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 9 96 - N_GB1_2 CB_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 102 - N_GB1_2 CG_GB1_12 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 9 103 - N_GB1_2 CD1_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 9 104 - N_GB1_2 CD2_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 9 105 - N_GB1_2 CB_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 111 - N_GB1_2 CG_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 112 - N_GB1_2 CD_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 113 - N_GB1_2 CE_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 114 - N_GB1_2 CA_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 120 - N_GB1_2 CB_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 126 - N_GB1_2 CG_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 127 - N_GB1_2 CB_GB1_16 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 9 136 - N_GB1_2 CG2_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 9 138 - N_GB1_2 CB_GB1_17 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 9 144 - N_GB1_2 CG2_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 9 146 - N_GB1_2 CB_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 9 152 - N_GB1_2 CG2_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 9 154 - N_GB1_2 CB_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 160 - N_GB1_2 CG_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 161 - N_GB1_2 CB_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 9 170 - N_GB1_2 CB_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 9 176 - N_GB1_2 CG1_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 9 177 - N_GB1_2 CG2_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 9 178 - N_GB1_2 CB_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 184 - N_GB1_2 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 9 193 - N_GB1_2 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 9 199 - N_GB1_2 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 9 205 - N_GB1_2 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 9 207 - N_GB1_2 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 9 213 - N_GB1_2 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 219 - N_GB1_2 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 220 - N_GB1_2 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 229 - N_GB1_2 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 230 - N_GB1_2 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 231 - N_GB1_2 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 232 - N_GB1_2 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 9 239 - N_GB1_2 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 9 240 - N_GB1_2 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 9 241 - N_GB1_2 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 247 - N_GB1_2 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 259 - N_GB1_2 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 260 - N_GB1_2 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 261 - N_GB1_2 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 262 - N_GB1_2 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 269 - N_GB1_2 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 270 - N_GB1_2 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 279 - N_GB1_2 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 9 292 - N_GB1_2 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 298 - N_GB1_2 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 307 - N_GB1_2 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 316 - N_GB1_2 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 324 - N_GB1_2 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 9 330 - N_GB1_2 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 9 331 - N_GB1_2 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 9 332 - N_GB1_2 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 338 - N_GB1_2 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 346 - N_GB1_2 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 352 - N_GB1_2 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 353 - N_GB1_2 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 362 - N_GB1_2 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 9 377 - N_GB1_2 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 9 379 - N_GB1_2 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 385 - N_GB1_2 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 398 - N_GB1_2 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 407 - N_GB1_2 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 9 416 - N_GB1_2 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 9 422 - N_GB1_2 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 9 424 - N_GB1_2 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 430 - N_GB1_2 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 431 - N_GB1_2 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 432 - N_GB1_2 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 433 - N_GB1_2 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 9 440 - N_GB1_2 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 9 442 - N_GB1_2 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 448 - N_GB1_2 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 9 460 - N_GB1_2 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 9 462 - N_GB1_2 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 9 468 - N_GB1_2 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 9 469 - N_GB1_2 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 9 470 - N_GB1_2 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 9 476 - N_GB1_2 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 9 478 - N_GB1_2 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 484 - N_GB1_2 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 9 485 + N_GB1_2 CB_GB1_2 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 9 12 + N_GB1_2 CG2_GB1_2 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 9 14 + N_GB1_2 CB_GB1_3 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 20 + N_GB1_2 CB_GB1_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 33 + N_GB1_2 CG_GB1_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 34 + N_GB1_2 CD_GB1_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 35 + N_GB1_2 CE_GB1_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 36 + N_GB1_2 CB_GB1_5 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 43 + N_GB1_2 CG_GB1_5 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 9 44 + N_GB1_2 CD1_GB1_5 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 9 45 + N_GB1_2 CD2_GB1_5 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 9 46 + N_GB1_2 CB_GB1_6 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 9 52 + N_GB1_2 CG1_GB1_6 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 53 + N_GB1_2 CG2_GB1_6 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 9 54 + N_GB1_2 CD_GB1_6 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 9 55 + N_GB1_2 CB_GB1_7 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 61 + N_GB1_2 CG_GB1_7 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 9 62 + N_GB1_2 CD1_GB1_7 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 9 63 + N_GB1_2 CD2_GB1_7 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 9 64 + N_GB1_2 CB_GB1_8 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 70 + N_GB1_2 CA_GB1_9 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 78 + N_GB1_2 CB_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 84 + N_GB1_2 CG_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 85 + N_GB1_2 CD_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 86 + N_GB1_2 CE_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 87 + N_GB1_2 CB_GB1_11 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 9 94 + N_GB1_2 CG2_GB1_11 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 9 96 + N_GB1_2 CB_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 102 + N_GB1_2 CG_GB1_12 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 9 103 + N_GB1_2 CD1_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 9 104 + N_GB1_2 CD2_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 9 105 + N_GB1_2 CB_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 111 + N_GB1_2 CG_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 112 + N_GB1_2 CD_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 113 + N_GB1_2 CE_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 114 + N_GB1_2 CA_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 120 + N_GB1_2 CB_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 126 + N_GB1_2 CG_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 127 + N_GB1_2 CB_GB1_16 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 9 136 + N_GB1_2 CG2_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 9 138 + N_GB1_2 CB_GB1_17 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 9 144 + N_GB1_2 CG2_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 9 146 + N_GB1_2 CB_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 9 152 + N_GB1_2 CG2_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 9 154 + N_GB1_2 CB_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 160 + N_GB1_2 CG_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 161 + N_GB1_2 CB_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 9 170 + N_GB1_2 CB_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 9 176 + N_GB1_2 CG1_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 9 177 + N_GB1_2 CG2_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 9 178 + N_GB1_2 CB_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 184 + N_GB1_2 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 9 193 + N_GB1_2 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 9 199 + N_GB1_2 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 9 205 + N_GB1_2 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 9 207 + N_GB1_2 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 9 213 + N_GB1_2 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 219 + N_GB1_2 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 220 + N_GB1_2 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 229 + N_GB1_2 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 230 + N_GB1_2 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 231 + N_GB1_2 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 232 + N_GB1_2 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 9 239 + N_GB1_2 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 9 240 + N_GB1_2 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 9 241 + N_GB1_2 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 247 + N_GB1_2 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 259 + N_GB1_2 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 260 + N_GB1_2 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 261 + N_GB1_2 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 262 + N_GB1_2 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 269 + N_GB1_2 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 270 + N_GB1_2 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 279 + N_GB1_2 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 9 292 + N_GB1_2 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 298 + N_GB1_2 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 307 + N_GB1_2 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 316 + N_GB1_2 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 324 + N_GB1_2 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 9 330 + N_GB1_2 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 9 331 + N_GB1_2 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 9 332 + N_GB1_2 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 338 + N_GB1_2 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 346 + N_GB1_2 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 352 + N_GB1_2 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 353 + N_GB1_2 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 362 + N_GB1_2 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 9 377 + N_GB1_2 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 9 379 + N_GB1_2 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 385 + N_GB1_2 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 398 + N_GB1_2 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 407 + N_GB1_2 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 9 416 + N_GB1_2 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 9 422 + N_GB1_2 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 9 424 + N_GB1_2 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 430 + N_GB1_2 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 431 + N_GB1_2 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 432 + N_GB1_2 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 433 + N_GB1_2 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 9 440 + N_GB1_2 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 9 442 + N_GB1_2 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 448 + N_GB1_2 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 9 460 + N_GB1_2 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 9 462 + N_GB1_2 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 9 468 + N_GB1_2 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 9 469 + N_GB1_2 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 9 470 + N_GB1_2 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 9 476 + N_GB1_2 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 9 478 + N_GB1_2 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 484 + N_GB1_2 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 9 485 H_GB1_2 H_GB1_2 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 10 10 H_GB1_2 OG1_GB1_2 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 10 13 H_GB1_2 O_GB1_2 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 10 16 @@ -2041,732 +2041,732 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573658e-04 5.159165e-08 H_GB1_2 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 10 488 H_GB1_2 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 10 490 H_GB1_2 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 10 491 - CB_GB1_2 OG1_GB1_2 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 12 13 - CB_GB1_2 C_GB1_2 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 15 + CB_GB1_2 OG1_GB1_2 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 12 13 + CB_GB1_2 C_GB1_2 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 15 CB_GB1_2 O_GB1_2 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 16 - CB_GB1_2 N_GB1_3 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 17 - CB_GB1_2 OH_GB1_3 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 12 27 - CB_GB1_2 C_GB1_3 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 28 + CB_GB1_2 N_GB1_3 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 17 + CB_GB1_2 OH_GB1_3 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 12 27 + CB_GB1_2 C_GB1_3 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 28 CB_GB1_2 O_GB1_3 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 29 - CB_GB1_2 N_GB1_4 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 30 - CB_GB1_2 NZ_GB1_4 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 37 - CB_GB1_2 C_GB1_4 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 38 + CB_GB1_2 N_GB1_4 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 30 + CB_GB1_2 NZ_GB1_4 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 37 + CB_GB1_2 C_GB1_4 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 38 CB_GB1_2 O_GB1_4 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 39 - CB_GB1_2 N_GB1_5 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 40 - CB_GB1_2 C_GB1_5 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 47 + CB_GB1_2 N_GB1_5 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 40 + CB_GB1_2 C_GB1_5 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 47 CB_GB1_2 O_GB1_5 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 48 - CB_GB1_2 N_GB1_6 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 49 - CB_GB1_2 C_GB1_6 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 56 + CB_GB1_2 N_GB1_6 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 49 + CB_GB1_2 C_GB1_6 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 56 CB_GB1_2 O_GB1_6 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 57 - CB_GB1_2 N_GB1_7 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 58 - CB_GB1_2 C_GB1_7 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 65 + CB_GB1_2 N_GB1_7 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 58 + CB_GB1_2 C_GB1_7 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 65 CB_GB1_2 O_GB1_7 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 66 - CB_GB1_2 N_GB1_8 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 67 - CB_GB1_2 CG_GB1_8 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 71 + CB_GB1_2 N_GB1_8 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 67 + CB_GB1_2 CG_GB1_8 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 71 CB_GB1_2 OD1_GB1_8 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 72 - CB_GB1_2 ND2_GB1_8 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 12 73 - CB_GB1_2 C_GB1_8 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 74 + CB_GB1_2 ND2_GB1_8 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 12 73 + CB_GB1_2 C_GB1_8 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 74 CB_GB1_2 O_GB1_8 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 75 - CB_GB1_2 N_GB1_9 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 76 - CB_GB1_2 C_GB1_9 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 79 + CB_GB1_2 N_GB1_9 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 76 + CB_GB1_2 C_GB1_9 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 79 CB_GB1_2 O_GB1_9 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 80 - CB_GB1_2 N_GB1_10 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 81 - CB_GB1_2 NZ_GB1_10 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 88 - CB_GB1_2 C_GB1_10 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 89 + CB_GB1_2 N_GB1_10 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 81 + CB_GB1_2 NZ_GB1_10 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 88 + CB_GB1_2 C_GB1_10 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 89 CB_GB1_2 O_GB1_10 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 90 - CB_GB1_2 N_GB1_11 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 91 - CB_GB1_2 OG1_GB1_11 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 12 95 - CB_GB1_2 C_GB1_11 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 97 + CB_GB1_2 N_GB1_11 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 91 + CB_GB1_2 OG1_GB1_11 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 12 95 + CB_GB1_2 C_GB1_11 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 97 CB_GB1_2 O_GB1_11 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 98 - CB_GB1_2 N_GB1_12 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 99 - CB_GB1_2 C_GB1_12 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 106 + CB_GB1_2 N_GB1_12 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 99 + CB_GB1_2 C_GB1_12 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 106 CB_GB1_2 O_GB1_12 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 107 - CB_GB1_2 N_GB1_13 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 108 - CB_GB1_2 NZ_GB1_13 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 115 - CB_GB1_2 C_GB1_13 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 116 + CB_GB1_2 N_GB1_13 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 108 + CB_GB1_2 NZ_GB1_13 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 115 + CB_GB1_2 C_GB1_13 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 116 CB_GB1_2 O_GB1_13 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 117 - CB_GB1_2 N_GB1_14 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 118 - CB_GB1_2 C_GB1_14 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 121 + CB_GB1_2 N_GB1_14 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 118 + CB_GB1_2 C_GB1_14 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 121 CB_GB1_2 O_GB1_14 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 122 - CB_GB1_2 N_GB1_15 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 123 - CB_GB1_2 CD_GB1_15 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 128 - CB_GB1_2 OE1_GB1_15 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 12 129 - CB_GB1_2 OE2_GB1_15 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 12 130 - CB_GB1_2 C_GB1_15 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 131 + CB_GB1_2 N_GB1_15 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 123 + CB_GB1_2 CD_GB1_15 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 128 + CB_GB1_2 OE1_GB1_15 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 12 129 + CB_GB1_2 OE2_GB1_15 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 12 130 + CB_GB1_2 C_GB1_15 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 131 CB_GB1_2 O_GB1_15 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 132 - CB_GB1_2 N_GB1_16 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 133 - CB_GB1_2 OG1_GB1_16 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 12 137 - CB_GB1_2 C_GB1_16 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 139 + CB_GB1_2 N_GB1_16 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 133 + CB_GB1_2 OG1_GB1_16 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 12 137 + CB_GB1_2 C_GB1_16 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 139 CB_GB1_2 O_GB1_16 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 140 - CB_GB1_2 N_GB1_17 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 141 - CB_GB1_2 OG1_GB1_17 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 12 145 - CB_GB1_2 C_GB1_17 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 147 + CB_GB1_2 N_GB1_17 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 141 + CB_GB1_2 OG1_GB1_17 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 12 145 + CB_GB1_2 C_GB1_17 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 147 CB_GB1_2 O_GB1_17 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 148 - CB_GB1_2 N_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 149 - CB_GB1_2 OG1_GB1_18 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 12 153 - CB_GB1_2 C_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 155 + CB_GB1_2 N_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 149 + CB_GB1_2 OG1_GB1_18 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 12 153 + CB_GB1_2 C_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 155 CB_GB1_2 O_GB1_18 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 156 - CB_GB1_2 N_GB1_19 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 157 - CB_GB1_2 CD_GB1_19 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 162 - CB_GB1_2 OE1_GB1_19 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 12 163 - CB_GB1_2 OE2_GB1_19 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 12 164 - CB_GB1_2 C_GB1_19 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 165 + CB_GB1_2 N_GB1_19 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 157 + CB_GB1_2 CD_GB1_19 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 162 + CB_GB1_2 OE1_GB1_19 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 12 163 + CB_GB1_2 OE2_GB1_19 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 12 164 + CB_GB1_2 C_GB1_19 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 165 CB_GB1_2 O_GB1_19 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 166 - CB_GB1_2 N_GB1_20 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 167 - CB_GB1_2 C_GB1_20 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 171 + CB_GB1_2 N_GB1_20 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 167 + CB_GB1_2 C_GB1_20 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 171 CB_GB1_2 O_GB1_20 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 172 - CB_GB1_2 N_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 173 - CB_GB1_2 C_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 179 + CB_GB1_2 N_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 173 + CB_GB1_2 C_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 179 CB_GB1_2 O_GB1_21 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 180 - CB_GB1_2 N_GB1_22 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 181 - CB_GB1_2 CG_GB1_22 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 185 - CB_GB1_2 OD1_GB1_22 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 12 186 - CB_GB1_2 OD2_GB1_22 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 12 187 - CB_GB1_2 C_GB1_22 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 188 + CB_GB1_2 N_GB1_22 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 181 + CB_GB1_2 CG_GB1_22 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 185 + CB_GB1_2 OD1_GB1_22 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 12 186 + CB_GB1_2 OD2_GB1_22 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 12 187 + CB_GB1_2 C_GB1_22 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 188 CB_GB1_2 O_GB1_22 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 189 - CB_GB1_2 N_GB1_23 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 190 - CB_GB1_2 C_GB1_23 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 194 + CB_GB1_2 N_GB1_23 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 190 + CB_GB1_2 C_GB1_23 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 194 CB_GB1_2 O_GB1_23 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 195 - CB_GB1_2 N_GB1_24 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 196 - CB_GB1_2 C_GB1_24 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 200 + CB_GB1_2 N_GB1_24 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 196 + CB_GB1_2 C_GB1_24 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 200 CB_GB1_2 O_GB1_24 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 201 - CB_GB1_2 N_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 202 - CB_GB1_2 OG1_GB1_25 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 12 206 - CB_GB1_2 C_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 208 + CB_GB1_2 N_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 202 + CB_GB1_2 OG1_GB1_25 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 12 206 + CB_GB1_2 C_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 208 CB_GB1_2 O_GB1_25 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 209 - CB_GB1_2 N_GB1_26 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 210 - CB_GB1_2 C_GB1_26 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 214 + CB_GB1_2 N_GB1_26 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 210 + CB_GB1_2 C_GB1_26 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 214 CB_GB1_2 O_GB1_26 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 215 - CB_GB1_2 N_GB1_27 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 216 - CB_GB1_2 CD_GB1_27 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 221 - CB_GB1_2 OE1_GB1_27 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 12 222 - CB_GB1_2 OE2_GB1_27 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 12 223 - CB_GB1_2 C_GB1_27 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 224 + CB_GB1_2 N_GB1_27 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 216 + CB_GB1_2 CD_GB1_27 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 221 + CB_GB1_2 OE1_GB1_27 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 12 222 + CB_GB1_2 OE2_GB1_27 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 12 223 + CB_GB1_2 C_GB1_27 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 224 CB_GB1_2 O_GB1_27 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 225 - CB_GB1_2 N_GB1_28 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 226 - CB_GB1_2 NZ_GB1_28 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 233 - CB_GB1_2 C_GB1_28 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 234 + CB_GB1_2 N_GB1_28 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 226 + CB_GB1_2 NZ_GB1_28 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 233 + CB_GB1_2 C_GB1_28 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 234 CB_GB1_2 O_GB1_28 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 235 - CB_GB1_2 N_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 236 - CB_GB1_2 C_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 242 + CB_GB1_2 N_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 236 + CB_GB1_2 C_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 242 CB_GB1_2 O_GB1_29 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 243 - CB_GB1_2 N_GB1_30 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 244 - CB_GB1_2 C_GB1_30 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 254 + CB_GB1_2 N_GB1_30 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 244 + CB_GB1_2 C_GB1_30 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 254 CB_GB1_2 O_GB1_30 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 255 - CB_GB1_2 N_GB1_31 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 256 - CB_GB1_2 NZ_GB1_31 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 263 - CB_GB1_2 C_GB1_31 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 264 + CB_GB1_2 N_GB1_31 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 256 + CB_GB1_2 NZ_GB1_31 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 263 + CB_GB1_2 C_GB1_31 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 264 CB_GB1_2 O_GB1_31 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 265 - CB_GB1_2 N_GB1_32 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 266 - CB_GB1_2 CD_GB1_32 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 271 + CB_GB1_2 N_GB1_32 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 266 + CB_GB1_2 CD_GB1_32 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 271 CB_GB1_2 OE1_GB1_32 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 272 - CB_GB1_2 NE2_GB1_32 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 12 273 - CB_GB1_2 C_GB1_32 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 274 + CB_GB1_2 NE2_GB1_32 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 12 273 + CB_GB1_2 C_GB1_32 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 274 CB_GB1_2 O_GB1_32 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 275 - CB_GB1_2 N_GB1_33 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 276 - CB_GB1_2 OH_GB1_33 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 12 286 - CB_GB1_2 C_GB1_33 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 287 + CB_GB1_2 N_GB1_33 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 276 + CB_GB1_2 OH_GB1_33 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 12 286 + CB_GB1_2 C_GB1_33 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 287 CB_GB1_2 O_GB1_33 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 288 - CB_GB1_2 N_GB1_34 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 289 - CB_GB1_2 C_GB1_34 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 293 + CB_GB1_2 N_GB1_34 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 289 + CB_GB1_2 C_GB1_34 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 293 CB_GB1_2 O_GB1_34 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 294 - CB_GB1_2 N_GB1_35 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 295 - CB_GB1_2 CG_GB1_35 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 299 + CB_GB1_2 N_GB1_35 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 295 + CB_GB1_2 CG_GB1_35 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 299 CB_GB1_2 OD1_GB1_35 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 300 - CB_GB1_2 ND2_GB1_35 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 12 301 - CB_GB1_2 C_GB1_35 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 302 + CB_GB1_2 ND2_GB1_35 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 12 301 + CB_GB1_2 C_GB1_35 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 302 CB_GB1_2 O_GB1_35 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 303 - CB_GB1_2 N_GB1_36 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 304 - CB_GB1_2 CG_GB1_36 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 308 - CB_GB1_2 OD1_GB1_36 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 12 309 - CB_GB1_2 OD2_GB1_36 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 12 310 - CB_GB1_2 C_GB1_36 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 311 + CB_GB1_2 N_GB1_36 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 304 + CB_GB1_2 CG_GB1_36 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 308 + CB_GB1_2 OD1_GB1_36 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 12 309 + CB_GB1_2 OD2_GB1_36 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 12 310 + CB_GB1_2 C_GB1_36 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 311 CB_GB1_2 O_GB1_36 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 312 - CB_GB1_2 N_GB1_37 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 313 - CB_GB1_2 CG_GB1_37 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 317 + CB_GB1_2 N_GB1_37 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 313 + CB_GB1_2 CG_GB1_37 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 317 CB_GB1_2 OD1_GB1_37 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 318 - CB_GB1_2 ND2_GB1_37 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 12 319 - CB_GB1_2 C_GB1_37 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 320 + CB_GB1_2 ND2_GB1_37 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 12 319 + CB_GB1_2 C_GB1_37 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 320 CB_GB1_2 O_GB1_37 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 321 - CB_GB1_2 N_GB1_38 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 322 - CB_GB1_2 C_GB1_38 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 325 + CB_GB1_2 N_GB1_38 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 322 + CB_GB1_2 C_GB1_38 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 325 CB_GB1_2 O_GB1_38 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 326 - CB_GB1_2 N_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 327 - CB_GB1_2 C_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 333 + CB_GB1_2 N_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 327 + CB_GB1_2 C_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 333 CB_GB1_2 O_GB1_39 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 334 - CB_GB1_2 N_GB1_40 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 335 - CB_GB1_2 CG_GB1_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 339 - CB_GB1_2 OD1_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 12 340 - CB_GB1_2 OD2_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 12 341 - CB_GB1_2 C_GB1_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 342 + CB_GB1_2 N_GB1_40 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 335 + CB_GB1_2 CG_GB1_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 339 + CB_GB1_2 OD1_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 12 340 + CB_GB1_2 OD2_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 12 341 + CB_GB1_2 C_GB1_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 342 CB_GB1_2 O_GB1_40 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 343 - CB_GB1_2 N_GB1_41 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 344 - CB_GB1_2 C_GB1_41 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 347 + CB_GB1_2 N_GB1_41 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 344 + CB_GB1_2 C_GB1_41 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 347 CB_GB1_2 O_GB1_41 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 348 - CB_GB1_2 N_GB1_42 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 349 - CB_GB1_2 CD_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 354 - CB_GB1_2 OE1_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 12 355 - CB_GB1_2 OE2_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 12 356 - CB_GB1_2 C_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 357 + CB_GB1_2 N_GB1_42 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 349 + CB_GB1_2 CD_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 354 + CB_GB1_2 OE1_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 12 355 + CB_GB1_2 OE2_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 12 356 + CB_GB1_2 C_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 357 CB_GB1_2 O_GB1_42 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 358 - CB_GB1_2 N_GB1_43 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 359 - CB_GB1_2 NE1_GB1_43 1 0.000000e+00 9.937288e-06 ; 8.853117e-06 -9.937288e-06 1.0 1.0 1.0 1.0 False mg 7 12 366 - CB_GB1_2 C_GB1_43 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 372 + CB_GB1_2 N_GB1_43 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 359 + CB_GB1_2 NE1_GB1_43 1 0.000000e+00 9.937231e-06 ; 8.853066e-06 -9.937231e-06 1.0 1.0 1.0 1.0 False mg 7 12 366 + CB_GB1_2 C_GB1_43 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 372 CB_GB1_2 O_GB1_43 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 373 - CB_GB1_2 N_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 374 - CB_GB1_2 OG1_GB1_44 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 12 378 - CB_GB1_2 C_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 380 + CB_GB1_2 N_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 374 + CB_GB1_2 OG1_GB1_44 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 12 378 + CB_GB1_2 C_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 380 CB_GB1_2 O_GB1_44 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 381 - CB_GB1_2 N_GB1_45 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 382 - CB_GB1_2 OH_GB1_45 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 12 392 - CB_GB1_2 C_GB1_45 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 393 + CB_GB1_2 N_GB1_45 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 382 + CB_GB1_2 OH_GB1_45 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 12 392 + CB_GB1_2 C_GB1_45 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 393 CB_GB1_2 O_GB1_45 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 394 - CB_GB1_2 N_GB1_46 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 395 - CB_GB1_2 CG_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 399 - CB_GB1_2 OD1_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 12 400 - CB_GB1_2 OD2_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 12 401 - CB_GB1_2 C_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 402 + CB_GB1_2 N_GB1_46 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 395 + CB_GB1_2 CG_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 399 + CB_GB1_2 OD1_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 12 400 + CB_GB1_2 OD2_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 12 401 + CB_GB1_2 C_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 402 CB_GB1_2 O_GB1_46 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 403 - CB_GB1_2 N_GB1_47 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 404 - CB_GB1_2 CG_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 408 - CB_GB1_2 OD1_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 12 409 - CB_GB1_2 OD2_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 12 410 - CB_GB1_2 C_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 411 + CB_GB1_2 N_GB1_47 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 404 + CB_GB1_2 CG_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 408 + CB_GB1_2 OD1_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 12 409 + CB_GB1_2 OD2_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 12 410 + CB_GB1_2 C_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 411 CB_GB1_2 O_GB1_47 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 412 - CB_GB1_2 N_GB1_48 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 413 - CB_GB1_2 C_GB1_48 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 417 + CB_GB1_2 N_GB1_48 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 413 + CB_GB1_2 C_GB1_48 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 417 CB_GB1_2 O_GB1_48 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 418 - CB_GB1_2 N_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 419 - CB_GB1_2 OG1_GB1_49 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 12 423 - CB_GB1_2 C_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 425 + CB_GB1_2 N_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 419 + CB_GB1_2 OG1_GB1_49 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 12 423 + CB_GB1_2 C_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 425 CB_GB1_2 O_GB1_49 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 426 - CB_GB1_2 N_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 427 - CB_GB1_2 NZ_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 434 - CB_GB1_2 C_GB1_50 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 435 + CB_GB1_2 N_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 427 + CB_GB1_2 NZ_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 434 + CB_GB1_2 C_GB1_50 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 435 CB_GB1_2 O_GB1_50 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 436 - CB_GB1_2 N_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 437 - CB_GB1_2 OG1_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 12 441 - CB_GB1_2 C_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 443 + CB_GB1_2 N_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 437 + CB_GB1_2 OG1_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 12 441 + CB_GB1_2 C_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 443 CB_GB1_2 O_GB1_51 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 444 - CB_GB1_2 N_GB1_52 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 445 - CB_GB1_2 C_GB1_52 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 455 + CB_GB1_2 N_GB1_52 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 445 + CB_GB1_2 C_GB1_52 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 455 CB_GB1_2 O_GB1_52 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 456 - CB_GB1_2 N_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 457 - CB_GB1_2 OG1_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 12 461 - CB_GB1_2 C_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 463 + CB_GB1_2 N_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 457 + CB_GB1_2 OG1_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 12 461 + CB_GB1_2 C_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 463 CB_GB1_2 O_GB1_53 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 464 - CB_GB1_2 N_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 465 - CB_GB1_2 C_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 471 + CB_GB1_2 N_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 465 + CB_GB1_2 C_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 471 CB_GB1_2 O_GB1_54 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 472 - CB_GB1_2 N_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 473 - CB_GB1_2 OG1_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 12 477 - CB_GB1_2 C_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 479 + CB_GB1_2 N_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 473 + CB_GB1_2 OG1_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 12 477 + CB_GB1_2 C_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 479 CB_GB1_2 O_GB1_55 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 12 480 - CB_GB1_2 N_GB1_56 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 12 481 - CB_GB1_2 CD_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 486 - CB_GB1_2 OE1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 12 487 - CB_GB1_2 OE2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 12 488 - CB_GB1_2 C_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 12 489 - CB_GB1_2 O1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 12 490 - CB_GB1_2 O2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 12 491 - OG1_GB1_2 CG2_GB1_2 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 13 14 + CB_GB1_2 N_GB1_56 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 12 481 + CB_GB1_2 CD_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 486 + CB_GB1_2 OE1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 12 487 + CB_GB1_2 OE2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 12 488 + CB_GB1_2 C_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 12 489 + CB_GB1_2 O1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 12 490 + CB_GB1_2 O2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 12 491 + OG1_GB1_2 CG2_GB1_2 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 13 14 OG1_GB1_2 H_GB1_3 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 18 - OG1_GB1_2 CB_GB1_3 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 20 + OG1_GB1_2 CB_GB1_3 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 20 OG1_GB1_2 H_GB1_4 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 31 - OG1_GB1_2 CB_GB1_4 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 33 - OG1_GB1_2 CG_GB1_4 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 34 - OG1_GB1_2 CD_GB1_4 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 35 - OG1_GB1_2 CE_GB1_4 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 36 + OG1_GB1_2 CB_GB1_4 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 33 + OG1_GB1_2 CG_GB1_4 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 34 + OG1_GB1_2 CD_GB1_4 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 35 + OG1_GB1_2 CE_GB1_4 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 36 OG1_GB1_2 H_GB1_5 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 41 - OG1_GB1_2 CB_GB1_5 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 43 - OG1_GB1_2 CG_GB1_5 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 13 44 - OG1_GB1_2 CD1_GB1_5 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 13 45 - OG1_GB1_2 CD2_GB1_5 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 13 46 + OG1_GB1_2 CB_GB1_5 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 43 + OG1_GB1_2 CG_GB1_5 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 13 44 + OG1_GB1_2 CD1_GB1_5 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 13 45 + OG1_GB1_2 CD2_GB1_5 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 13 46 OG1_GB1_2 H_GB1_6 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 50 - OG1_GB1_2 CB_GB1_6 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 13 52 - OG1_GB1_2 CG1_GB1_6 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 53 - OG1_GB1_2 CG2_GB1_6 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 13 54 - OG1_GB1_2 CD_GB1_6 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 13 55 + OG1_GB1_2 CB_GB1_6 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 13 52 + OG1_GB1_2 CG1_GB1_6 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 53 + OG1_GB1_2 CG2_GB1_6 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 13 54 + OG1_GB1_2 CD_GB1_6 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 13 55 OG1_GB1_2 H_GB1_7 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 59 - OG1_GB1_2 CB_GB1_7 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 61 - OG1_GB1_2 CG_GB1_7 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 13 62 - OG1_GB1_2 CD1_GB1_7 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 13 63 - OG1_GB1_2 CD2_GB1_7 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 13 64 + OG1_GB1_2 CB_GB1_7 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 61 + OG1_GB1_2 CG_GB1_7 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 13 62 + OG1_GB1_2 CD1_GB1_7 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 13 63 + OG1_GB1_2 CD2_GB1_7 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 13 64 OG1_GB1_2 H_GB1_8 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 68 - OG1_GB1_2 CB_GB1_8 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 70 + OG1_GB1_2 CB_GB1_8 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 70 OG1_GB1_2 H_GB1_9 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 77 - OG1_GB1_2 CA_GB1_9 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 78 + OG1_GB1_2 CA_GB1_9 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 78 OG1_GB1_2 H_GB1_10 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 82 - OG1_GB1_2 CB_GB1_10 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 84 - OG1_GB1_2 CG_GB1_10 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 85 - OG1_GB1_2 CD_GB1_10 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 86 - OG1_GB1_2 CE_GB1_10 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 87 + OG1_GB1_2 CB_GB1_10 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 84 + OG1_GB1_2 CG_GB1_10 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 85 + OG1_GB1_2 CD_GB1_10 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 86 + OG1_GB1_2 CE_GB1_10 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 87 OG1_GB1_2 H_GB1_11 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 92 - OG1_GB1_2 CB_GB1_11 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 13 94 - OG1_GB1_2 CG2_GB1_11 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 13 96 + OG1_GB1_2 CB_GB1_11 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 13 94 + OG1_GB1_2 CG2_GB1_11 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 13 96 OG1_GB1_2 H_GB1_12 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 100 - OG1_GB1_2 CB_GB1_12 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 102 - OG1_GB1_2 CG_GB1_12 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 13 103 - OG1_GB1_2 CD1_GB1_12 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 13 104 - OG1_GB1_2 CD2_GB1_12 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 13 105 + OG1_GB1_2 CB_GB1_12 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 102 + OG1_GB1_2 CG_GB1_12 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 13 103 + OG1_GB1_2 CD1_GB1_12 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 13 104 + OG1_GB1_2 CD2_GB1_12 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 13 105 OG1_GB1_2 H_GB1_13 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 109 - OG1_GB1_2 CB_GB1_13 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 111 - OG1_GB1_2 CG_GB1_13 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 112 - OG1_GB1_2 CD_GB1_13 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 113 - OG1_GB1_2 CE_GB1_13 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 114 + OG1_GB1_2 CB_GB1_13 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 111 + OG1_GB1_2 CG_GB1_13 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 112 + OG1_GB1_2 CD_GB1_13 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 113 + OG1_GB1_2 CE_GB1_13 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 114 OG1_GB1_2 H_GB1_14 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 119 - OG1_GB1_2 CA_GB1_14 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 120 + OG1_GB1_2 CA_GB1_14 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 120 OG1_GB1_2 H_GB1_15 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 124 - OG1_GB1_2 CB_GB1_15 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 126 - OG1_GB1_2 CG_GB1_15 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 127 + OG1_GB1_2 CB_GB1_15 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 126 + OG1_GB1_2 CG_GB1_15 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 127 OG1_GB1_2 H_GB1_16 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 134 - OG1_GB1_2 CB_GB1_16 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 13 136 - OG1_GB1_2 CG2_GB1_16 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 13 138 + OG1_GB1_2 CB_GB1_16 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 13 136 + OG1_GB1_2 CG2_GB1_16 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 13 138 OG1_GB1_2 H_GB1_17 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 142 - OG1_GB1_2 CB_GB1_17 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 13 144 - OG1_GB1_2 CG2_GB1_17 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 13 146 + OG1_GB1_2 CB_GB1_17 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 13 144 + OG1_GB1_2 CG2_GB1_17 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 13 146 OG1_GB1_2 H_GB1_18 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 150 - OG1_GB1_2 CB_GB1_18 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 13 152 - OG1_GB1_2 CG2_GB1_18 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 13 154 + OG1_GB1_2 CB_GB1_18 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 13 152 + OG1_GB1_2 CG2_GB1_18 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 13 154 OG1_GB1_2 H_GB1_19 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 158 - OG1_GB1_2 CB_GB1_19 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 160 - OG1_GB1_2 CG_GB1_19 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 161 + OG1_GB1_2 CB_GB1_19 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 160 + OG1_GB1_2 CG_GB1_19 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 161 OG1_GB1_2 H_GB1_20 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 168 - OG1_GB1_2 CB_GB1_20 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 13 170 + OG1_GB1_2 CB_GB1_20 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 13 170 OG1_GB1_2 H_GB1_21 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 174 - OG1_GB1_2 CB_GB1_21 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 13 176 - OG1_GB1_2 CG1_GB1_21 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 13 177 - OG1_GB1_2 CG2_GB1_21 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 13 178 + OG1_GB1_2 CB_GB1_21 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 13 176 + OG1_GB1_2 CG1_GB1_21 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 13 177 + OG1_GB1_2 CG2_GB1_21 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 13 178 OG1_GB1_2 H_GB1_22 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 182 - OG1_GB1_2 CB_GB1_22 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 184 + OG1_GB1_2 CB_GB1_22 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 184 OG1_GB1_2 H_GB1_23 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 191 - OG1_GB1_2 CB_GB1_23 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 13 193 + OG1_GB1_2 CB_GB1_23 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 13 193 OG1_GB1_2 H_GB1_24 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 197 - OG1_GB1_2 CB_GB1_24 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 13 199 + OG1_GB1_2 CB_GB1_24 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 13 199 OG1_GB1_2 H_GB1_25 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 203 - OG1_GB1_2 CB_GB1_25 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 13 205 - OG1_GB1_2 CG2_GB1_25 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 13 207 + OG1_GB1_2 CB_GB1_25 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 13 205 + OG1_GB1_2 CG2_GB1_25 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 13 207 OG1_GB1_2 H_GB1_26 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 211 - OG1_GB1_2 CB_GB1_26 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 13 213 + OG1_GB1_2 CB_GB1_26 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 13 213 OG1_GB1_2 H_GB1_27 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 217 - OG1_GB1_2 CB_GB1_27 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 219 - OG1_GB1_2 CG_GB1_27 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 220 + OG1_GB1_2 CB_GB1_27 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 219 + OG1_GB1_2 CG_GB1_27 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 220 OG1_GB1_2 H_GB1_28 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 227 - OG1_GB1_2 CB_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 229 - OG1_GB1_2 CG_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 230 - OG1_GB1_2 CD_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 231 - OG1_GB1_2 CE_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 232 + OG1_GB1_2 CB_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 229 + OG1_GB1_2 CG_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 230 + OG1_GB1_2 CD_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 231 + OG1_GB1_2 CE_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 232 OG1_GB1_2 H_GB1_29 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 237 - OG1_GB1_2 CB_GB1_29 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 13 239 - OG1_GB1_2 CG1_GB1_29 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 13 240 - OG1_GB1_2 CG2_GB1_29 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 13 241 + OG1_GB1_2 CB_GB1_29 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 13 239 + OG1_GB1_2 CG1_GB1_29 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 13 240 + OG1_GB1_2 CG2_GB1_29 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 13 241 OG1_GB1_2 H_GB1_30 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 245 - OG1_GB1_2 CB_GB1_30 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 247 + OG1_GB1_2 CB_GB1_30 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 247 OG1_GB1_2 H_GB1_31 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 257 - OG1_GB1_2 CB_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 259 - OG1_GB1_2 CG_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 260 - OG1_GB1_2 CD_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 261 - OG1_GB1_2 CE_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 262 + OG1_GB1_2 CB_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 259 + OG1_GB1_2 CG_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 260 + OG1_GB1_2 CD_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 261 + OG1_GB1_2 CE_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 262 OG1_GB1_2 H_GB1_32 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 267 - OG1_GB1_2 CB_GB1_32 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 269 - OG1_GB1_2 CG_GB1_32 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 270 + OG1_GB1_2 CB_GB1_32 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 269 + OG1_GB1_2 CG_GB1_32 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 270 OG1_GB1_2 H_GB1_33 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 277 - OG1_GB1_2 CB_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 279 + OG1_GB1_2 CB_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 279 OG1_GB1_2 H_GB1_34 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 290 - OG1_GB1_2 CB_GB1_34 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 13 292 + OG1_GB1_2 CB_GB1_34 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 13 292 OG1_GB1_2 H_GB1_35 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 296 - OG1_GB1_2 CB_GB1_35 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 298 + OG1_GB1_2 CB_GB1_35 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 298 OG1_GB1_2 H_GB1_36 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 305 - OG1_GB1_2 CB_GB1_36 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 307 + OG1_GB1_2 CB_GB1_36 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 307 OG1_GB1_2 H_GB1_37 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 314 - OG1_GB1_2 CB_GB1_37 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 316 + OG1_GB1_2 CB_GB1_37 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 316 OG1_GB1_2 H_GB1_38 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 323 - OG1_GB1_2 CA_GB1_38 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 324 + OG1_GB1_2 CA_GB1_38 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 324 OG1_GB1_2 H_GB1_39 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 328 - OG1_GB1_2 CB_GB1_39 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 13 330 - OG1_GB1_2 CG1_GB1_39 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 13 331 - OG1_GB1_2 CG2_GB1_39 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 13 332 + OG1_GB1_2 CB_GB1_39 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 13 330 + OG1_GB1_2 CG1_GB1_39 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 13 331 + OG1_GB1_2 CG2_GB1_39 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 13 332 OG1_GB1_2 H_GB1_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 336 - OG1_GB1_2 CB_GB1_40 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 338 + OG1_GB1_2 CB_GB1_40 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 338 OG1_GB1_2 H_GB1_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 345 - OG1_GB1_2 CA_GB1_41 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 346 + OG1_GB1_2 CA_GB1_41 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 346 OG1_GB1_2 H_GB1_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 350 - OG1_GB1_2 CB_GB1_42 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 352 - OG1_GB1_2 CG_GB1_42 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 353 + OG1_GB1_2 CB_GB1_42 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 352 + OG1_GB1_2 CG_GB1_42 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 353 OG1_GB1_2 H_GB1_43 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 360 - OG1_GB1_2 CB_GB1_43 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 362 + OG1_GB1_2 CB_GB1_43 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 362 OG1_GB1_2 H_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 375 - OG1_GB1_2 CB_GB1_44 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 13 377 - OG1_GB1_2 CG2_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 13 379 + OG1_GB1_2 CB_GB1_44 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 13 377 + OG1_GB1_2 CG2_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 13 379 OG1_GB1_2 H_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 383 - OG1_GB1_2 CB_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 385 + OG1_GB1_2 CB_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 385 OG1_GB1_2 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 396 - OG1_GB1_2 CB_GB1_46 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 398 + OG1_GB1_2 CB_GB1_46 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 398 OG1_GB1_2 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 405 - OG1_GB1_2 CB_GB1_47 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 407 + OG1_GB1_2 CB_GB1_47 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 407 OG1_GB1_2 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 414 - OG1_GB1_2 CB_GB1_48 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 13 416 + OG1_GB1_2 CB_GB1_48 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 13 416 OG1_GB1_2 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 420 - OG1_GB1_2 CB_GB1_49 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 13 422 - OG1_GB1_2 CG2_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 13 424 + OG1_GB1_2 CB_GB1_49 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 13 422 + OG1_GB1_2 CG2_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 13 424 OG1_GB1_2 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 428 - OG1_GB1_2 CB_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 430 - OG1_GB1_2 CG_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 431 - OG1_GB1_2 CD_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 432 - OG1_GB1_2 CE_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 433 + OG1_GB1_2 CB_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 430 + OG1_GB1_2 CG_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 431 + OG1_GB1_2 CD_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 432 + OG1_GB1_2 CE_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 433 OG1_GB1_2 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 438 - OG1_GB1_2 CB_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 13 440 - OG1_GB1_2 CG2_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 13 442 + OG1_GB1_2 CB_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 13 440 + OG1_GB1_2 CG2_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 13 442 OG1_GB1_2 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 446 - OG1_GB1_2 CB_GB1_52 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 448 + OG1_GB1_2 CB_GB1_52 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 448 OG1_GB1_2 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 458 - OG1_GB1_2 CB_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 13 460 - OG1_GB1_2 CG2_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 13 462 + OG1_GB1_2 CB_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 13 460 + OG1_GB1_2 CG2_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 13 462 OG1_GB1_2 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 466 - OG1_GB1_2 CB_GB1_54 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 13 468 - OG1_GB1_2 CG1_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 13 469 - OG1_GB1_2 CG2_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 13 470 + OG1_GB1_2 CB_GB1_54 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 13 468 + OG1_GB1_2 CG1_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 13 469 + OG1_GB1_2 CG2_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 13 470 OG1_GB1_2 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 474 - OG1_GB1_2 CB_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 13 476 - OG1_GB1_2 CG2_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 13 478 + OG1_GB1_2 CB_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 13 476 + OG1_GB1_2 CG2_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 13 478 OG1_GB1_2 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 13 482 - OG1_GB1_2 CB_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 484 - OG1_GB1_2 CG_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 13 485 - CG2_GB1_2 C_GB1_2 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 15 + OG1_GB1_2 CB_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 484 + OG1_GB1_2 CG_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 13 485 + CG2_GB1_2 C_GB1_2 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 15 CG2_GB1_2 O_GB1_2 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 16 - CG2_GB1_2 N_GB1_3 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 17 - CG2_GB1_2 OH_GB1_3 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 14 27 - CG2_GB1_2 C_GB1_3 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 28 + CG2_GB1_2 N_GB1_3 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 17 + CG2_GB1_2 OH_GB1_3 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 14 27 + CG2_GB1_2 C_GB1_3 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 28 CG2_GB1_2 O_GB1_3 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 29 - CG2_GB1_2 N_GB1_4 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 30 - CG2_GB1_2 NZ_GB1_4 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 37 - CG2_GB1_2 C_GB1_4 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 38 + CG2_GB1_2 N_GB1_4 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 30 + CG2_GB1_2 NZ_GB1_4 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 37 + CG2_GB1_2 C_GB1_4 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 38 CG2_GB1_2 O_GB1_4 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 39 - CG2_GB1_2 N_GB1_5 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 40 - CG2_GB1_2 C_GB1_5 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 47 + CG2_GB1_2 N_GB1_5 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 40 + CG2_GB1_2 C_GB1_5 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 47 CG2_GB1_2 O_GB1_5 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 48 - CG2_GB1_2 N_GB1_6 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 49 - CG2_GB1_2 C_GB1_6 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 56 + CG2_GB1_2 N_GB1_6 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 49 + CG2_GB1_2 C_GB1_6 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 56 CG2_GB1_2 O_GB1_6 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 57 - CG2_GB1_2 N_GB1_7 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 58 - CG2_GB1_2 C_GB1_7 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 65 + CG2_GB1_2 N_GB1_7 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 58 + CG2_GB1_2 C_GB1_7 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 65 CG2_GB1_2 O_GB1_7 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 66 - CG2_GB1_2 N_GB1_8 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 67 - CG2_GB1_2 CG_GB1_8 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 71 + CG2_GB1_2 N_GB1_8 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 67 + CG2_GB1_2 CG_GB1_8 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 71 CG2_GB1_2 OD1_GB1_8 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 72 - CG2_GB1_2 ND2_GB1_8 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 14 73 - CG2_GB1_2 C_GB1_8 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 74 + CG2_GB1_2 ND2_GB1_8 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 14 73 + CG2_GB1_2 C_GB1_8 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 74 CG2_GB1_2 O_GB1_8 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 75 - CG2_GB1_2 N_GB1_9 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 76 - CG2_GB1_2 C_GB1_9 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 79 + CG2_GB1_2 N_GB1_9 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 76 + CG2_GB1_2 C_GB1_9 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 79 CG2_GB1_2 O_GB1_9 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 80 - CG2_GB1_2 N_GB1_10 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 81 - CG2_GB1_2 NZ_GB1_10 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 88 - CG2_GB1_2 C_GB1_10 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 89 + CG2_GB1_2 N_GB1_10 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 81 + CG2_GB1_2 NZ_GB1_10 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 88 + CG2_GB1_2 C_GB1_10 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 89 CG2_GB1_2 O_GB1_10 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 90 - CG2_GB1_2 N_GB1_11 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 91 - CG2_GB1_2 OG1_GB1_11 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 14 95 - CG2_GB1_2 C_GB1_11 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 97 + CG2_GB1_2 N_GB1_11 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 91 + CG2_GB1_2 OG1_GB1_11 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 14 95 + CG2_GB1_2 C_GB1_11 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 97 CG2_GB1_2 O_GB1_11 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 98 - CG2_GB1_2 N_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 99 - CG2_GB1_2 C_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 106 + CG2_GB1_2 N_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 99 + CG2_GB1_2 C_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 106 CG2_GB1_2 O_GB1_12 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 107 - CG2_GB1_2 N_GB1_13 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 108 - CG2_GB1_2 NZ_GB1_13 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 115 - CG2_GB1_2 C_GB1_13 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 116 + CG2_GB1_2 N_GB1_13 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 108 + CG2_GB1_2 NZ_GB1_13 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 115 + CG2_GB1_2 C_GB1_13 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 116 CG2_GB1_2 O_GB1_13 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 117 - CG2_GB1_2 N_GB1_14 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 118 - CG2_GB1_2 C_GB1_14 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 121 + CG2_GB1_2 N_GB1_14 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 118 + CG2_GB1_2 C_GB1_14 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 121 CG2_GB1_2 O_GB1_14 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 122 - CG2_GB1_2 N_GB1_15 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 123 - CG2_GB1_2 CD_GB1_15 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 128 + CG2_GB1_2 N_GB1_15 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 123 + CG2_GB1_2 CD_GB1_15 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 128 CG2_GB1_2 OE1_GB1_15 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 14 129 CG2_GB1_2 OE2_GB1_15 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 14 130 - CG2_GB1_2 C_GB1_15 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 131 + CG2_GB1_2 C_GB1_15 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 131 CG2_GB1_2 O_GB1_15 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 132 - CG2_GB1_2 N_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 133 - CG2_GB1_2 OG1_GB1_16 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 14 137 - CG2_GB1_2 C_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 139 + CG2_GB1_2 N_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 133 + CG2_GB1_2 OG1_GB1_16 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 14 137 + CG2_GB1_2 C_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 139 CG2_GB1_2 O_GB1_16 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 140 - CG2_GB1_2 N_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 141 - CG2_GB1_2 OG1_GB1_17 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 14 145 - CG2_GB1_2 C_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 147 + CG2_GB1_2 N_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 141 + CG2_GB1_2 OG1_GB1_17 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 14 145 + CG2_GB1_2 C_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 147 CG2_GB1_2 O_GB1_17 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 148 - CG2_GB1_2 N_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 149 - CG2_GB1_2 OG1_GB1_18 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 14 153 - CG2_GB1_2 C_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 155 + CG2_GB1_2 N_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 149 + CG2_GB1_2 OG1_GB1_18 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 14 153 + CG2_GB1_2 C_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 155 CG2_GB1_2 O_GB1_18 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 156 - CG2_GB1_2 N_GB1_19 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 157 - CG2_GB1_2 CD_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 162 + CG2_GB1_2 N_GB1_19 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 157 + CG2_GB1_2 CD_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 162 CG2_GB1_2 OE1_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 14 163 CG2_GB1_2 OE2_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 14 164 - CG2_GB1_2 C_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 165 + CG2_GB1_2 C_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 165 CG2_GB1_2 O_GB1_19 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 166 - CG2_GB1_2 N_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 167 - CG2_GB1_2 C_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 171 + CG2_GB1_2 N_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 167 + CG2_GB1_2 C_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 171 CG2_GB1_2 O_GB1_20 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 172 - CG2_GB1_2 N_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 173 - CG2_GB1_2 C_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 179 + CG2_GB1_2 N_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 173 + CG2_GB1_2 C_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 179 CG2_GB1_2 O_GB1_21 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 180 - CG2_GB1_2 N_GB1_22 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 181 - CG2_GB1_2 CG_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 185 + CG2_GB1_2 N_GB1_22 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 181 + CG2_GB1_2 CG_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 185 CG2_GB1_2 OD1_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 14 186 CG2_GB1_2 OD2_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 14 187 - CG2_GB1_2 C_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 188 + CG2_GB1_2 C_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 188 CG2_GB1_2 O_GB1_22 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 189 - CG2_GB1_2 N_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 190 - CG2_GB1_2 C_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 194 + CG2_GB1_2 N_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 190 + CG2_GB1_2 C_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 194 CG2_GB1_2 O_GB1_23 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 195 - CG2_GB1_2 N_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 196 - CG2_GB1_2 C_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 200 + CG2_GB1_2 N_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 196 + CG2_GB1_2 C_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 200 CG2_GB1_2 O_GB1_24 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 201 - CG2_GB1_2 N_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 202 - CG2_GB1_2 OG1_GB1_25 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 14 206 - CG2_GB1_2 C_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 208 + CG2_GB1_2 N_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 202 + CG2_GB1_2 OG1_GB1_25 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 14 206 + CG2_GB1_2 C_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 208 CG2_GB1_2 O_GB1_25 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 209 - CG2_GB1_2 N_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 210 - CG2_GB1_2 C_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 214 + CG2_GB1_2 N_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 210 + CG2_GB1_2 C_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 214 CG2_GB1_2 O_GB1_26 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 215 - CG2_GB1_2 N_GB1_27 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 216 - CG2_GB1_2 CD_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 221 + CG2_GB1_2 N_GB1_27 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 216 + CG2_GB1_2 CD_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 221 CG2_GB1_2 OE1_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 14 222 CG2_GB1_2 OE2_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 14 223 - CG2_GB1_2 C_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 224 + CG2_GB1_2 C_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 224 CG2_GB1_2 O_GB1_27 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 225 - CG2_GB1_2 N_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 226 - CG2_GB1_2 NZ_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 233 - CG2_GB1_2 C_GB1_28 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 234 + CG2_GB1_2 N_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 226 + CG2_GB1_2 NZ_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 233 + CG2_GB1_2 C_GB1_28 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 234 CG2_GB1_2 O_GB1_28 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 235 - CG2_GB1_2 N_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 236 - CG2_GB1_2 C_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 242 + CG2_GB1_2 N_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 236 + CG2_GB1_2 C_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 242 CG2_GB1_2 O_GB1_29 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 243 - CG2_GB1_2 N_GB1_30 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 244 - CG2_GB1_2 C_GB1_30 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 254 + CG2_GB1_2 N_GB1_30 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 244 + CG2_GB1_2 C_GB1_30 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 254 CG2_GB1_2 O_GB1_30 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 255 - CG2_GB1_2 N_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 256 - CG2_GB1_2 NZ_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 263 - CG2_GB1_2 C_GB1_31 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 264 + CG2_GB1_2 N_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 256 + CG2_GB1_2 NZ_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 263 + CG2_GB1_2 C_GB1_31 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 264 CG2_GB1_2 O_GB1_31 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 265 - CG2_GB1_2 N_GB1_32 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 266 - CG2_GB1_2 CD_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 271 + CG2_GB1_2 N_GB1_32 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 266 + CG2_GB1_2 CD_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 271 CG2_GB1_2 OE1_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 272 - CG2_GB1_2 NE2_GB1_32 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 14 273 - CG2_GB1_2 C_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 274 + CG2_GB1_2 NE2_GB1_32 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 14 273 + CG2_GB1_2 C_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 274 CG2_GB1_2 O_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 275 - CG2_GB1_2 N_GB1_33 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 276 - CG2_GB1_2 OH_GB1_33 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 14 286 - CG2_GB1_2 C_GB1_33 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 287 + CG2_GB1_2 N_GB1_33 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 276 + CG2_GB1_2 OH_GB1_33 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 14 286 + CG2_GB1_2 C_GB1_33 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 287 CG2_GB1_2 O_GB1_33 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 288 - CG2_GB1_2 N_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 289 - CG2_GB1_2 C_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 293 + CG2_GB1_2 N_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 289 + CG2_GB1_2 C_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 293 CG2_GB1_2 O_GB1_34 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 294 - CG2_GB1_2 N_GB1_35 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 295 - CG2_GB1_2 CG_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 299 + CG2_GB1_2 N_GB1_35 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 295 + CG2_GB1_2 CG_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 299 CG2_GB1_2 OD1_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 300 - CG2_GB1_2 ND2_GB1_35 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 14 301 - CG2_GB1_2 C_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 302 + CG2_GB1_2 ND2_GB1_35 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 14 301 + CG2_GB1_2 C_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 302 CG2_GB1_2 O_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 303 - CG2_GB1_2 N_GB1_36 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 304 - CG2_GB1_2 CG_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 308 + CG2_GB1_2 N_GB1_36 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 304 + CG2_GB1_2 CG_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 308 CG2_GB1_2 OD1_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 14 309 CG2_GB1_2 OD2_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 14 310 - CG2_GB1_2 C_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 311 + CG2_GB1_2 C_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 311 CG2_GB1_2 O_GB1_36 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 312 - CG2_GB1_2 N_GB1_37 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 313 - CG2_GB1_2 CG_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 317 + CG2_GB1_2 N_GB1_37 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 313 + CG2_GB1_2 CG_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 317 CG2_GB1_2 OD1_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 318 - CG2_GB1_2 ND2_GB1_37 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 14 319 - CG2_GB1_2 C_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 320 + CG2_GB1_2 ND2_GB1_37 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 14 319 + CG2_GB1_2 C_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 320 CG2_GB1_2 O_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 321 - CG2_GB1_2 N_GB1_38 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 322 - CG2_GB1_2 C_GB1_38 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 325 + CG2_GB1_2 N_GB1_38 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 322 + CG2_GB1_2 C_GB1_38 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 325 CG2_GB1_2 O_GB1_38 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 326 - CG2_GB1_2 N_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 327 - CG2_GB1_2 C_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 333 + CG2_GB1_2 N_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 327 + CG2_GB1_2 C_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 333 CG2_GB1_2 O_GB1_39 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 334 - CG2_GB1_2 N_GB1_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 335 - CG2_GB1_2 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 339 + CG2_GB1_2 N_GB1_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 335 + CG2_GB1_2 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 339 CG2_GB1_2 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 14 340 CG2_GB1_2 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 14 341 - CG2_GB1_2 C_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 342 + CG2_GB1_2 C_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 342 CG2_GB1_2 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 343 - CG2_GB1_2 N_GB1_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 344 - CG2_GB1_2 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 347 + CG2_GB1_2 N_GB1_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 344 + CG2_GB1_2 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 347 CG2_GB1_2 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 348 - CG2_GB1_2 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 349 - CG2_GB1_2 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 354 + CG2_GB1_2 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 349 + CG2_GB1_2 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 354 CG2_GB1_2 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 14 355 CG2_GB1_2 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 14 356 - CG2_GB1_2 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 357 + CG2_GB1_2 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 357 CG2_GB1_2 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 358 - CG2_GB1_2 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 359 - CG2_GB1_2 NE1_GB1_43 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.0 1.0 1.0 1.0 False mg 7 14 366 - CG2_GB1_2 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 372 + CG2_GB1_2 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 359 + CG2_GB1_2 NE1_GB1_43 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.0 1.0 1.0 1.0 False mg 7 14 366 + CG2_GB1_2 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 372 CG2_GB1_2 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 373 - CG2_GB1_2 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 374 - CG2_GB1_2 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 14 378 - CG2_GB1_2 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 380 + CG2_GB1_2 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 374 + CG2_GB1_2 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 14 378 + CG2_GB1_2 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 380 CG2_GB1_2 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 381 - CG2_GB1_2 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 382 - CG2_GB1_2 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 14 392 - CG2_GB1_2 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 393 + CG2_GB1_2 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 382 + CG2_GB1_2 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 14 392 + CG2_GB1_2 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 393 CG2_GB1_2 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 394 - CG2_GB1_2 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 395 - CG2_GB1_2 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 399 + CG2_GB1_2 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 395 + CG2_GB1_2 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 399 CG2_GB1_2 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 14 400 CG2_GB1_2 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 14 401 - CG2_GB1_2 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 402 + CG2_GB1_2 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 402 CG2_GB1_2 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 403 - CG2_GB1_2 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 404 - CG2_GB1_2 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 408 + CG2_GB1_2 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 404 + CG2_GB1_2 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 408 CG2_GB1_2 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 14 409 CG2_GB1_2 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 14 410 - CG2_GB1_2 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 411 + CG2_GB1_2 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 411 CG2_GB1_2 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 412 - CG2_GB1_2 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 413 - CG2_GB1_2 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 417 + CG2_GB1_2 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 413 + CG2_GB1_2 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 417 CG2_GB1_2 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 418 - CG2_GB1_2 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 419 - CG2_GB1_2 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 14 423 - CG2_GB1_2 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 425 + CG2_GB1_2 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 419 + CG2_GB1_2 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 14 423 + CG2_GB1_2 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 425 CG2_GB1_2 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 426 - CG2_GB1_2 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 427 - CG2_GB1_2 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 434 - CG2_GB1_2 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 435 + CG2_GB1_2 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 427 + CG2_GB1_2 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 434 + CG2_GB1_2 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 435 CG2_GB1_2 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 436 - CG2_GB1_2 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 437 - CG2_GB1_2 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 14 441 - CG2_GB1_2 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 443 + CG2_GB1_2 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 437 + CG2_GB1_2 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 14 441 + CG2_GB1_2 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 443 CG2_GB1_2 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 444 - CG2_GB1_2 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 445 - CG2_GB1_2 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 455 + CG2_GB1_2 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 445 + CG2_GB1_2 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 455 CG2_GB1_2 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 456 - CG2_GB1_2 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 457 - CG2_GB1_2 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 14 461 - CG2_GB1_2 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 463 + CG2_GB1_2 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 457 + CG2_GB1_2 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 14 461 + CG2_GB1_2 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 463 CG2_GB1_2 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 464 - CG2_GB1_2 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 465 - CG2_GB1_2 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 471 + CG2_GB1_2 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 465 + CG2_GB1_2 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 471 CG2_GB1_2 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 472 - CG2_GB1_2 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 473 - CG2_GB1_2 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 14 477 - CG2_GB1_2 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 479 + CG2_GB1_2 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 473 + CG2_GB1_2 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 14 477 + CG2_GB1_2 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 479 CG2_GB1_2 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 14 480 - CG2_GB1_2 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 14 481 - CG2_GB1_2 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 486 + CG2_GB1_2 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 14 481 + CG2_GB1_2 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 486 CG2_GB1_2 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 14 487 CG2_GB1_2 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 14 488 - CG2_GB1_2 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 14 489 + CG2_GB1_2 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 14 489 CG2_GB1_2 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 14 490 CG2_GB1_2 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 14 491 - C_GB1_2 CB_GB1_3 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 20 - C_GB1_2 CB_GB1_4 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 33 - C_GB1_2 CG_GB1_4 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 34 - C_GB1_2 CD_GB1_4 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 35 - C_GB1_2 CE_GB1_4 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 36 - C_GB1_2 CB_GB1_5 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 43 - C_GB1_2 CG_GB1_5 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 15 44 - C_GB1_2 CD1_GB1_5 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 15 45 - C_GB1_2 CD2_GB1_5 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 15 46 - C_GB1_2 CB_GB1_6 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 15 52 - C_GB1_2 CG1_GB1_6 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 53 - C_GB1_2 CG2_GB1_6 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 15 54 - C_GB1_2 CD_GB1_6 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 15 55 - C_GB1_2 CB_GB1_7 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 61 - C_GB1_2 CG_GB1_7 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 15 62 - C_GB1_2 CD1_GB1_7 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 15 63 - C_GB1_2 CD2_GB1_7 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 15 64 - C_GB1_2 CB_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 70 - C_GB1_2 CA_GB1_9 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 78 - C_GB1_2 CB_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 84 - C_GB1_2 CG_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 85 - C_GB1_2 CD_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 86 - C_GB1_2 CE_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 87 - C_GB1_2 CB_GB1_11 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 15 94 - C_GB1_2 CG2_GB1_11 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 15 96 - C_GB1_2 CB_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 102 - C_GB1_2 CG_GB1_12 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 15 103 - C_GB1_2 CD1_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 15 104 - C_GB1_2 CD2_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 15 105 - C_GB1_2 CB_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 111 - C_GB1_2 CG_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 112 - C_GB1_2 CD_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 113 - C_GB1_2 CE_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 114 - C_GB1_2 CA_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 120 - C_GB1_2 CB_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 126 - C_GB1_2 CG_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 127 - C_GB1_2 CB_GB1_16 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 15 136 - C_GB1_2 CG2_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 15 138 - C_GB1_2 CB_GB1_17 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 15 144 - C_GB1_2 CG2_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 15 146 - C_GB1_2 CB_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 15 152 - C_GB1_2 CG2_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 15 154 - C_GB1_2 CB_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 160 - C_GB1_2 CG_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 161 - C_GB1_2 CB_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 15 170 - C_GB1_2 CB_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 15 176 - C_GB1_2 CG1_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 15 177 - C_GB1_2 CG2_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 15 178 - C_GB1_2 CB_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 184 - C_GB1_2 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 15 193 - C_GB1_2 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 15 199 - C_GB1_2 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 15 205 - C_GB1_2 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 15 207 - C_GB1_2 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 15 213 - C_GB1_2 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 219 - C_GB1_2 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 220 - C_GB1_2 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 229 - C_GB1_2 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 230 - C_GB1_2 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 231 - C_GB1_2 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 232 - C_GB1_2 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 15 239 - C_GB1_2 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 15 240 - C_GB1_2 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 15 241 - C_GB1_2 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 247 - C_GB1_2 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 259 - C_GB1_2 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 260 - C_GB1_2 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 261 - C_GB1_2 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 262 - C_GB1_2 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 269 - C_GB1_2 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 270 - C_GB1_2 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 279 - C_GB1_2 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 15 292 - C_GB1_2 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 298 - C_GB1_2 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 307 - C_GB1_2 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 316 - C_GB1_2 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 324 - C_GB1_2 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 15 330 - C_GB1_2 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 15 331 - C_GB1_2 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 15 332 - C_GB1_2 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 338 - C_GB1_2 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 346 - C_GB1_2 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 352 - C_GB1_2 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 353 - C_GB1_2 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 362 - C_GB1_2 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 15 377 - C_GB1_2 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 15 379 - C_GB1_2 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 385 - C_GB1_2 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 398 - C_GB1_2 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 407 - C_GB1_2 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 15 416 - C_GB1_2 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 15 422 - C_GB1_2 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 15 424 - C_GB1_2 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 430 - C_GB1_2 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 431 - C_GB1_2 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 432 - C_GB1_2 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 433 - C_GB1_2 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 15 440 - C_GB1_2 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 15 442 - C_GB1_2 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 448 - C_GB1_2 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 15 460 - C_GB1_2 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 15 462 - C_GB1_2 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 15 468 - C_GB1_2 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 15 469 - C_GB1_2 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 15 470 - C_GB1_2 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 15 476 - C_GB1_2 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 15 478 - C_GB1_2 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 484 - C_GB1_2 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 15 485 + C_GB1_2 CB_GB1_3 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 20 + C_GB1_2 CB_GB1_4 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 33 + C_GB1_2 CG_GB1_4 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 34 + C_GB1_2 CD_GB1_4 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 35 + C_GB1_2 CE_GB1_4 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 36 + C_GB1_2 CB_GB1_5 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 43 + C_GB1_2 CG_GB1_5 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 15 44 + C_GB1_2 CD1_GB1_5 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 15 45 + C_GB1_2 CD2_GB1_5 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 15 46 + C_GB1_2 CB_GB1_6 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 15 52 + C_GB1_2 CG1_GB1_6 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 53 + C_GB1_2 CG2_GB1_6 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 15 54 + C_GB1_2 CD_GB1_6 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 15 55 + C_GB1_2 CB_GB1_7 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 61 + C_GB1_2 CG_GB1_7 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 15 62 + C_GB1_2 CD1_GB1_7 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 15 63 + C_GB1_2 CD2_GB1_7 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 15 64 + C_GB1_2 CB_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 70 + C_GB1_2 CA_GB1_9 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 78 + C_GB1_2 CB_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 84 + C_GB1_2 CG_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 85 + C_GB1_2 CD_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 86 + C_GB1_2 CE_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 87 + C_GB1_2 CB_GB1_11 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 15 94 + C_GB1_2 CG2_GB1_11 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 15 96 + C_GB1_2 CB_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 102 + C_GB1_2 CG_GB1_12 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 15 103 + C_GB1_2 CD1_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 15 104 + C_GB1_2 CD2_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 15 105 + C_GB1_2 CB_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 111 + C_GB1_2 CG_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 112 + C_GB1_2 CD_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 113 + C_GB1_2 CE_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 114 + C_GB1_2 CA_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 120 + C_GB1_2 CB_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 126 + C_GB1_2 CG_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 127 + C_GB1_2 CB_GB1_16 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 15 136 + C_GB1_2 CG2_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 15 138 + C_GB1_2 CB_GB1_17 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 15 144 + C_GB1_2 CG2_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 15 146 + C_GB1_2 CB_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 15 152 + C_GB1_2 CG2_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 15 154 + C_GB1_2 CB_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 160 + C_GB1_2 CG_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 161 + C_GB1_2 CB_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 15 170 + C_GB1_2 CB_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 15 176 + C_GB1_2 CG1_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 15 177 + C_GB1_2 CG2_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 15 178 + C_GB1_2 CB_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 184 + C_GB1_2 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 15 193 + C_GB1_2 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 15 199 + C_GB1_2 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 15 205 + C_GB1_2 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 15 207 + C_GB1_2 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 15 213 + C_GB1_2 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 219 + C_GB1_2 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 220 + C_GB1_2 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 229 + C_GB1_2 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 230 + C_GB1_2 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 231 + C_GB1_2 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 232 + C_GB1_2 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 15 239 + C_GB1_2 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 15 240 + C_GB1_2 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 15 241 + C_GB1_2 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 247 + C_GB1_2 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 259 + C_GB1_2 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 260 + C_GB1_2 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 261 + C_GB1_2 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 262 + C_GB1_2 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 269 + C_GB1_2 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 270 + C_GB1_2 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 279 + C_GB1_2 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 15 292 + C_GB1_2 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 298 + C_GB1_2 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 307 + C_GB1_2 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 316 + C_GB1_2 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 324 + C_GB1_2 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 15 330 + C_GB1_2 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 15 331 + C_GB1_2 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 15 332 + C_GB1_2 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 338 + C_GB1_2 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 346 + C_GB1_2 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 352 + C_GB1_2 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 353 + C_GB1_2 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 362 + C_GB1_2 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 15 377 + C_GB1_2 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 15 379 + C_GB1_2 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 385 + C_GB1_2 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 398 + C_GB1_2 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 407 + C_GB1_2 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 15 416 + C_GB1_2 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 15 422 + C_GB1_2 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 15 424 + C_GB1_2 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 430 + C_GB1_2 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 431 + C_GB1_2 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 432 + C_GB1_2 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 433 + C_GB1_2 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 15 440 + C_GB1_2 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 15 442 + C_GB1_2 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 448 + C_GB1_2 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 15 460 + C_GB1_2 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 15 462 + C_GB1_2 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 15 468 + C_GB1_2 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 15 469 + C_GB1_2 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 15 470 + C_GB1_2 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 15 476 + C_GB1_2 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 15 478 + C_GB1_2 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 484 + C_GB1_2 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 15 485 O_GB1_2 O_GB1_2 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 16 16 O_GB1_2 H_GB1_3 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 16 18 O_GB1_2 CB_GB1_3 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 16 20 @@ -3009,114 +3009,114 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573658e-04 5.159165e-08 O_GB1_2 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 16 488 O_GB1_2 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 16 490 O_GB1_2 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 16 491 - N_GB1_3 CB_GB1_3 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 20 - N_GB1_3 CB_GB1_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 33 - N_GB1_3 CG_GB1_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 34 - N_GB1_3 CD_GB1_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 35 - N_GB1_3 CE_GB1_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 36 - N_GB1_3 CB_GB1_5 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 43 - N_GB1_3 CG_GB1_5 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 17 44 - N_GB1_3 CD1_GB1_5 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 17 45 - N_GB1_3 CD2_GB1_5 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 17 46 - N_GB1_3 CB_GB1_6 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 17 52 - N_GB1_3 CG1_GB1_6 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 53 - N_GB1_3 CG2_GB1_6 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 17 54 - N_GB1_3 CD_GB1_6 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 17 55 - N_GB1_3 CB_GB1_7 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 61 - N_GB1_3 CG_GB1_7 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 17 62 - N_GB1_3 CD1_GB1_7 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 17 63 - N_GB1_3 CD2_GB1_7 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 17 64 - N_GB1_3 CB_GB1_8 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 70 - N_GB1_3 CA_GB1_9 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 78 - N_GB1_3 CB_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 84 - N_GB1_3 CG_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 85 - N_GB1_3 CD_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 86 - N_GB1_3 CE_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 87 - N_GB1_3 CB_GB1_11 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 17 94 - N_GB1_3 CG2_GB1_11 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 17 96 - N_GB1_3 CB_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 102 - N_GB1_3 CG_GB1_12 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 17 103 - N_GB1_3 CD1_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 17 104 - N_GB1_3 CD2_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 17 105 - N_GB1_3 CB_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 111 - N_GB1_3 CG_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 112 - N_GB1_3 CD_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 113 - N_GB1_3 CE_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 114 - N_GB1_3 CA_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 120 - N_GB1_3 CB_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 126 - N_GB1_3 CG_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 127 - N_GB1_3 CB_GB1_16 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 17 136 - N_GB1_3 CG2_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 17 138 - N_GB1_3 CB_GB1_17 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 17 144 - N_GB1_3 CG2_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 17 146 - N_GB1_3 CB_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 17 152 - N_GB1_3 CG2_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 17 154 - N_GB1_3 CB_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 160 - N_GB1_3 CG_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 161 - N_GB1_3 CB_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 17 170 - N_GB1_3 CB_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 17 176 - N_GB1_3 CG1_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 17 177 - N_GB1_3 CG2_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 17 178 - N_GB1_3 CB_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 184 - N_GB1_3 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 17 193 - N_GB1_3 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 17 199 - N_GB1_3 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 17 205 - N_GB1_3 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 17 207 - N_GB1_3 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 17 213 - N_GB1_3 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 219 - N_GB1_3 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 220 - N_GB1_3 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 229 - N_GB1_3 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 230 - N_GB1_3 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 231 - N_GB1_3 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 232 - N_GB1_3 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 17 239 - N_GB1_3 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 17 240 - N_GB1_3 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 17 241 - N_GB1_3 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 247 - N_GB1_3 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 259 - N_GB1_3 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 260 - N_GB1_3 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 261 - N_GB1_3 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 262 - N_GB1_3 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 269 - N_GB1_3 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 270 - N_GB1_3 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 279 - N_GB1_3 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 17 292 - N_GB1_3 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 298 - N_GB1_3 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 307 - N_GB1_3 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 316 - N_GB1_3 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 324 - N_GB1_3 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 17 330 - N_GB1_3 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 17 331 - N_GB1_3 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 17 332 - N_GB1_3 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 338 - N_GB1_3 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 346 - N_GB1_3 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 352 - N_GB1_3 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 353 - N_GB1_3 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 362 - N_GB1_3 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 17 377 - N_GB1_3 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 17 379 - N_GB1_3 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 385 - N_GB1_3 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 398 - N_GB1_3 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 407 - N_GB1_3 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 17 416 - N_GB1_3 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 17 422 - N_GB1_3 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 17 424 - N_GB1_3 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 430 - N_GB1_3 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 431 - N_GB1_3 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 432 - N_GB1_3 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 433 - N_GB1_3 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 17 440 - N_GB1_3 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 17 442 - N_GB1_3 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 448 - N_GB1_3 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 17 460 - N_GB1_3 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 17 462 - N_GB1_3 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 17 468 - N_GB1_3 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 17 469 - N_GB1_3 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 17 470 - N_GB1_3 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 17 476 - N_GB1_3 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 17 478 - N_GB1_3 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 484 - N_GB1_3 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 17 485 + N_GB1_3 CB_GB1_3 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 20 + N_GB1_3 CB_GB1_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 33 + N_GB1_3 CG_GB1_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 34 + N_GB1_3 CD_GB1_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 35 + N_GB1_3 CE_GB1_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 36 + N_GB1_3 CB_GB1_5 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 43 + N_GB1_3 CG_GB1_5 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 17 44 + N_GB1_3 CD1_GB1_5 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 17 45 + N_GB1_3 CD2_GB1_5 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 17 46 + N_GB1_3 CB_GB1_6 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 17 52 + N_GB1_3 CG1_GB1_6 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 53 + N_GB1_3 CG2_GB1_6 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 17 54 + N_GB1_3 CD_GB1_6 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 17 55 + N_GB1_3 CB_GB1_7 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 61 + N_GB1_3 CG_GB1_7 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 17 62 + N_GB1_3 CD1_GB1_7 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 17 63 + N_GB1_3 CD2_GB1_7 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 17 64 + N_GB1_3 CB_GB1_8 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 70 + N_GB1_3 CA_GB1_9 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 78 + N_GB1_3 CB_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 84 + N_GB1_3 CG_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 85 + N_GB1_3 CD_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 86 + N_GB1_3 CE_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 87 + N_GB1_3 CB_GB1_11 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 17 94 + N_GB1_3 CG2_GB1_11 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 17 96 + N_GB1_3 CB_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 102 + N_GB1_3 CG_GB1_12 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 17 103 + N_GB1_3 CD1_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 17 104 + N_GB1_3 CD2_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 17 105 + N_GB1_3 CB_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 111 + N_GB1_3 CG_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 112 + N_GB1_3 CD_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 113 + N_GB1_3 CE_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 114 + N_GB1_3 CA_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 120 + N_GB1_3 CB_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 126 + N_GB1_3 CG_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 127 + N_GB1_3 CB_GB1_16 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 17 136 + N_GB1_3 CG2_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 17 138 + N_GB1_3 CB_GB1_17 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 17 144 + N_GB1_3 CG2_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 17 146 + N_GB1_3 CB_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 17 152 + N_GB1_3 CG2_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 17 154 + N_GB1_3 CB_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 160 + N_GB1_3 CG_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 161 + N_GB1_3 CB_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 17 170 + N_GB1_3 CB_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 17 176 + N_GB1_3 CG1_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 17 177 + N_GB1_3 CG2_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 17 178 + N_GB1_3 CB_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 184 + N_GB1_3 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 17 193 + N_GB1_3 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 17 199 + N_GB1_3 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 17 205 + N_GB1_3 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 17 207 + N_GB1_3 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 17 213 + N_GB1_3 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 219 + N_GB1_3 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 220 + N_GB1_3 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 229 + N_GB1_3 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 230 + N_GB1_3 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 231 + N_GB1_3 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 232 + N_GB1_3 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 17 239 + N_GB1_3 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 17 240 + N_GB1_3 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 17 241 + N_GB1_3 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 247 + N_GB1_3 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 259 + N_GB1_3 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 260 + N_GB1_3 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 261 + N_GB1_3 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 262 + N_GB1_3 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 269 + N_GB1_3 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 270 + N_GB1_3 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 279 + N_GB1_3 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 17 292 + N_GB1_3 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 298 + N_GB1_3 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 307 + N_GB1_3 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 316 + N_GB1_3 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 324 + N_GB1_3 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 17 330 + N_GB1_3 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 17 331 + N_GB1_3 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 17 332 + N_GB1_3 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 338 + N_GB1_3 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 346 + N_GB1_3 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 352 + N_GB1_3 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 353 + N_GB1_3 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 362 + N_GB1_3 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 17 377 + N_GB1_3 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 17 379 + N_GB1_3 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 385 + N_GB1_3 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 398 + N_GB1_3 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 407 + N_GB1_3 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 17 416 + N_GB1_3 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 17 422 + N_GB1_3 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 17 424 + N_GB1_3 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 430 + N_GB1_3 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 431 + N_GB1_3 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 432 + N_GB1_3 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 433 + N_GB1_3 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 17 440 + N_GB1_3 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 17 442 + N_GB1_3 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 448 + N_GB1_3 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 17 460 + N_GB1_3 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 17 462 + N_GB1_3 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 17 468 + N_GB1_3 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 17 469 + N_GB1_3 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 17 470 + N_GB1_3 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 17 476 + N_GB1_3 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 17 478 + N_GB1_3 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 484 + N_GB1_3 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 17 485 H_GB1_3 H_GB1_3 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 18 18 H_GB1_3 OH_GB1_3 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 18 27 H_GB1_3 O_GB1_3 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 18 29 @@ -3263,497 +3263,497 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573658e-04 5.159165e-08 H_GB1_3 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 18 488 H_GB1_3 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 18 490 H_GB1_3 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 18 491 - CB_GB1_3 OH_GB1_3 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 20 27 - CB_GB1_3 C_GB1_3 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 28 + CB_GB1_3 OH_GB1_3 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 20 27 + CB_GB1_3 C_GB1_3 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 28 CB_GB1_3 O_GB1_3 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 20 29 - CB_GB1_3 N_GB1_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 20 30 - CB_GB1_3 NZ_GB1_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 20 37 - CB_GB1_3 C_GB1_4 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 38 + CB_GB1_3 N_GB1_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 20 30 + CB_GB1_3 NZ_GB1_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 20 37 + CB_GB1_3 C_GB1_4 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 38 CB_GB1_3 O_GB1_4 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 20 39 - CB_GB1_3 N_GB1_5 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 20 40 - CB_GB1_3 C_GB1_5 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 47 + CB_GB1_3 N_GB1_5 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 20 40 + CB_GB1_3 C_GB1_5 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 47 CB_GB1_3 O_GB1_5 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 20 48 - CB_GB1_3 N_GB1_6 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 20 49 - CB_GB1_3 C_GB1_6 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 56 + CB_GB1_3 N_GB1_6 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 20 49 + CB_GB1_3 C_GB1_6 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 56 CB_GB1_3 O_GB1_6 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 20 57 - CB_GB1_3 N_GB1_7 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 20 58 - CB_GB1_3 C_GB1_7 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 65 + CB_GB1_3 N_GB1_7 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 20 58 + CB_GB1_3 C_GB1_7 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 65 CB_GB1_3 O_GB1_7 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 20 66 - CB_GB1_3 N_GB1_8 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 20 67 - CB_GB1_3 CG_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 71 + CB_GB1_3 N_GB1_8 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 20 67 + CB_GB1_3 CG_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 71 CB_GB1_3 OD1_GB1_8 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 20 72 - CB_GB1_3 ND2_GB1_8 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 20 73 - CB_GB1_3 C_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 74 + CB_GB1_3 ND2_GB1_8 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 20 73 + CB_GB1_3 C_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 74 CB_GB1_3 O_GB1_8 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 20 75 - CB_GB1_3 N_GB1_9 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 20 76 - CB_GB1_3 C_GB1_9 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 79 + CB_GB1_3 N_GB1_9 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 20 76 + CB_GB1_3 C_GB1_9 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 79 CB_GB1_3 O_GB1_9 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 20 80 - CB_GB1_3 N_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 20 81 - CB_GB1_3 NZ_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 20 88 - CB_GB1_3 C_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 89 + CB_GB1_3 N_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 20 81 + CB_GB1_3 NZ_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 20 88 + CB_GB1_3 C_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 89 CB_GB1_3 O_GB1_10 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 20 90 - CB_GB1_3 N_GB1_11 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 20 91 - CB_GB1_3 OG1_GB1_11 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 20 95 - CB_GB1_3 C_GB1_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 97 + CB_GB1_3 N_GB1_11 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 20 91 + CB_GB1_3 OG1_GB1_11 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 20 95 + CB_GB1_3 C_GB1_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 97 CB_GB1_3 O_GB1_11 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 20 98 - CB_GB1_3 N_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 20 99 - CB_GB1_3 C_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 106 + CB_GB1_3 N_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 20 99 + CB_GB1_3 C_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 106 CB_GB1_3 O_GB1_12 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 20 107 - CB_GB1_3 N_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 20 108 - CB_GB1_3 NZ_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 20 115 - CB_GB1_3 C_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 116 + CB_GB1_3 N_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 20 108 + CB_GB1_3 NZ_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 20 115 + CB_GB1_3 C_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 116 CB_GB1_3 O_GB1_13 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 20 117 - CB_GB1_3 N_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 20 118 - CB_GB1_3 C_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 121 + CB_GB1_3 N_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 20 118 + CB_GB1_3 C_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 121 CB_GB1_3 O_GB1_14 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 20 122 - CB_GB1_3 N_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 20 123 - CB_GB1_3 CD_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 128 - CB_GB1_3 OE1_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 20 129 - CB_GB1_3 OE2_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 20 130 - CB_GB1_3 C_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 131 + CB_GB1_3 N_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 20 123 + CB_GB1_3 CD_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 128 + CB_GB1_3 OE1_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 20 129 + CB_GB1_3 OE2_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 20 130 + CB_GB1_3 C_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 131 CB_GB1_3 O_GB1_15 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 20 132 - CB_GB1_3 N_GB1_16 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 20 133 - CB_GB1_3 OG1_GB1_16 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 20 137 - CB_GB1_3 C_GB1_16 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 139 + CB_GB1_3 N_GB1_16 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 20 133 + CB_GB1_3 OG1_GB1_16 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 20 137 + CB_GB1_3 C_GB1_16 1 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1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 20 163 - CB_GB1_3 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 20 164 - CB_GB1_3 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 165 + CB_GB1_3 N_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 20 157 + CB_GB1_3 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 162 + CB_GB1_3 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 20 163 + CB_GB1_3 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 20 164 + CB_GB1_3 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 165 CB_GB1_3 O_GB1_19 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 20 166 - CB_GB1_3 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CB_GB1_3 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 200 + CB_GB1_3 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 20 196 + CB_GB1_3 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 200 CB_GB1_3 O_GB1_24 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 20 201 - CB_GB1_3 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 20 202 - CB_GB1_3 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 20 206 - CB_GB1_3 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 208 + CB_GB1_3 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 20 202 + CB_GB1_3 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 20 206 + 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CB_GB1_3 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 20 222 - CB_GB1_3 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 20 223 - CB_GB1_3 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 224 + CB_GB1_3 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 20 216 + CB_GB1_3 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 221 + CB_GB1_3 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 20 222 + CB_GB1_3 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 20 223 + CB_GB1_3 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 224 CB_GB1_3 O_GB1_27 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 20 225 - CB_GB1_3 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 20 226 - CB_GB1_3 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 20 233 - CB_GB1_3 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 234 + CB_GB1_3 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 20 226 + CB_GB1_3 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 20 233 + CB_GB1_3 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 234 CB_GB1_3 O_GB1_28 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 20 235 - CB_GB1_3 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 20 236 - CB_GB1_3 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 242 + CB_GB1_3 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 20 236 + CB_GB1_3 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 242 CB_GB1_3 O_GB1_29 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 20 243 - CB_GB1_3 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 20 244 - CB_GB1_3 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 254 + CB_GB1_3 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 20 244 + CB_GB1_3 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 254 CB_GB1_3 O_GB1_30 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 20 255 - CB_GB1_3 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 20 256 - 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CB_GB1_3 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 271 CB_GB1_3 OE1_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 20 272 - CB_GB1_3 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 20 273 - CB_GB1_3 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 274 + CB_GB1_3 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 20 273 + CB_GB1_3 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 274 CB_GB1_3 O_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 20 275 - CB_GB1_3 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 20 276 - CB_GB1_3 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 20 286 - CB_GB1_3 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 287 + CB_GB1_3 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 20 276 + CB_GB1_3 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 20 286 + CB_GB1_3 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 287 CB_GB1_3 O_GB1_33 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 20 288 - CB_GB1_3 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 20 289 - CB_GB1_3 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 293 + CB_GB1_3 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 20 289 + CB_GB1_3 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 293 CB_GB1_3 O_GB1_34 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 20 294 - CB_GB1_3 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 20 295 - CB_GB1_3 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 299 + CB_GB1_3 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 20 295 + CB_GB1_3 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 299 CB_GB1_3 OD1_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 20 300 - CB_GB1_3 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 20 301 - CB_GB1_3 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 302 + CB_GB1_3 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 20 301 + CB_GB1_3 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 302 CB_GB1_3 O_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 20 303 - CB_GB1_3 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 20 304 - CB_GB1_3 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 308 - CB_GB1_3 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 20 309 - CB_GB1_3 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 20 310 - CB_GB1_3 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 311 + CB_GB1_3 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 20 304 + CB_GB1_3 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 308 + CB_GB1_3 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 20 309 + CB_GB1_3 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 20 310 + CB_GB1_3 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 311 CB_GB1_3 O_GB1_36 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 20 312 - CB_GB1_3 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 20 313 - CB_GB1_3 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 317 + CB_GB1_3 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 20 313 + CB_GB1_3 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 317 CB_GB1_3 OD1_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 20 318 - CB_GB1_3 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 20 319 - CB_GB1_3 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 320 + CB_GB1_3 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 20 319 + CB_GB1_3 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 320 CB_GB1_3 O_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 20 321 - CB_GB1_3 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 20 322 - CB_GB1_3 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 325 + CB_GB1_3 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 20 322 + CB_GB1_3 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 325 CB_GB1_3 O_GB1_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 20 326 - CB_GB1_3 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 20 327 - CB_GB1_3 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 333 + CB_GB1_3 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 20 327 + CB_GB1_3 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 333 CB_GB1_3 O_GB1_39 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 20 334 - CB_GB1_3 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 20 335 - CB_GB1_3 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 339 - CB_GB1_3 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 20 340 - CB_GB1_3 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 20 341 - CB_GB1_3 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 342 + CB_GB1_3 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 20 335 + CB_GB1_3 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 339 + CB_GB1_3 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 20 340 + CB_GB1_3 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 20 341 + CB_GB1_3 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 342 CB_GB1_3 O_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 20 343 - CB_GB1_3 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 20 344 - CB_GB1_3 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 347 + CB_GB1_3 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 20 344 + CB_GB1_3 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 347 CB_GB1_3 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 20 348 - CB_GB1_3 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 20 349 - CB_GB1_3 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 354 - CB_GB1_3 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 20 355 - CB_GB1_3 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 20 356 - CB_GB1_3 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 357 + CB_GB1_3 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 20 349 + CB_GB1_3 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 354 + CB_GB1_3 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 20 355 + CB_GB1_3 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 20 356 + CB_GB1_3 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 357 CB_GB1_3 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 20 358 - CB_GB1_3 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 20 359 - CB_GB1_3 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 20 366 - CB_GB1_3 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 372 + CB_GB1_3 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 20 359 + CB_GB1_3 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 20 366 + CB_GB1_3 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 372 CB_GB1_3 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 20 373 - CB_GB1_3 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 20 374 - CB_GB1_3 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 20 378 - CB_GB1_3 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 380 + CB_GB1_3 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 20 374 + CB_GB1_3 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 20 378 + CB_GB1_3 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 380 CB_GB1_3 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 20 381 - CB_GB1_3 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 20 382 - CB_GB1_3 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 20 392 - CB_GB1_3 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 393 + CB_GB1_3 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 20 382 + CB_GB1_3 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 20 392 + CB_GB1_3 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 393 CB_GB1_3 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 20 394 - CB_GB1_3 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 20 395 - CB_GB1_3 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 399 - CB_GB1_3 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 20 400 - CB_GB1_3 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 20 401 - CB_GB1_3 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 402 + CB_GB1_3 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 20 395 + CB_GB1_3 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 399 + CB_GB1_3 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 20 400 + CB_GB1_3 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 20 401 + CB_GB1_3 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 402 CB_GB1_3 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 20 403 - CB_GB1_3 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 20 404 - CB_GB1_3 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 408 - CB_GB1_3 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 20 409 - CB_GB1_3 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 20 410 - CB_GB1_3 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 411 + CB_GB1_3 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 20 404 + CB_GB1_3 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 408 + CB_GB1_3 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 20 409 + CB_GB1_3 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 20 410 + CB_GB1_3 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 411 CB_GB1_3 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 20 412 - CB_GB1_3 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 20 413 - CB_GB1_3 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 417 + CB_GB1_3 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 20 413 + CB_GB1_3 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 417 CB_GB1_3 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 20 418 - CB_GB1_3 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 20 419 - CB_GB1_3 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 20 423 - CB_GB1_3 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 425 + CB_GB1_3 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 20 419 + CB_GB1_3 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 20 423 + CB_GB1_3 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 425 CB_GB1_3 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 20 426 - CB_GB1_3 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 20 427 - CB_GB1_3 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 20 434 - CB_GB1_3 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 435 + CB_GB1_3 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 20 427 + CB_GB1_3 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 20 434 + CB_GB1_3 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 435 CB_GB1_3 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 20 436 - CB_GB1_3 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 20 437 - CB_GB1_3 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 20 441 - CB_GB1_3 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 443 + CB_GB1_3 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 20 437 + CB_GB1_3 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 20 441 + CB_GB1_3 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 443 CB_GB1_3 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 20 444 - CB_GB1_3 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 20 445 - CB_GB1_3 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 455 + CB_GB1_3 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 20 445 + CB_GB1_3 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 455 CB_GB1_3 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 20 456 - CB_GB1_3 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 20 457 - CB_GB1_3 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 20 461 - CB_GB1_3 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 463 + CB_GB1_3 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 20 457 + CB_GB1_3 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 20 461 + CB_GB1_3 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 463 CB_GB1_3 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 20 464 - CB_GB1_3 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 20 465 - CB_GB1_3 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 471 + CB_GB1_3 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 20 465 + CB_GB1_3 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 471 CB_GB1_3 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 20 472 - CB_GB1_3 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 20 473 - CB_GB1_3 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 20 477 - CB_GB1_3 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 479 + CB_GB1_3 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 20 473 + CB_GB1_3 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 20 477 + CB_GB1_3 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 479 CB_GB1_3 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 20 480 - CB_GB1_3 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 20 481 - CB_GB1_3 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 486 - CB_GB1_3 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 20 487 - CB_GB1_3 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 20 488 - CB_GB1_3 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 20 489 - CB_GB1_3 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 20 490 - CB_GB1_3 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 20 491 + CB_GB1_3 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 20 481 + CB_GB1_3 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 486 + CB_GB1_3 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 20 487 + CB_GB1_3 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 20 488 + CB_GB1_3 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 20 489 + CB_GB1_3 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 20 490 + CB_GB1_3 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 20 491 OH_GB1_3 H_GB1_4 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 31 - OH_GB1_3 CB_GB1_4 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 33 - OH_GB1_3 CG_GB1_4 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 34 - OH_GB1_3 CD_GB1_4 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 35 - OH_GB1_3 CE_GB1_4 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 36 + OH_GB1_3 CB_GB1_4 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 33 + OH_GB1_3 CG_GB1_4 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 34 + OH_GB1_3 CD_GB1_4 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 35 + OH_GB1_3 CE_GB1_4 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 36 OH_GB1_3 H_GB1_5 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 41 - OH_GB1_3 CB_GB1_5 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 43 - OH_GB1_3 CG_GB1_5 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 27 44 - OH_GB1_3 CD1_GB1_5 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 27 45 - OH_GB1_3 CD2_GB1_5 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 27 46 + OH_GB1_3 CB_GB1_5 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 43 + OH_GB1_3 CG_GB1_5 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 27 44 + OH_GB1_3 CD1_GB1_5 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 27 45 + OH_GB1_3 CD2_GB1_5 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 27 46 OH_GB1_3 H_GB1_6 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 50 - OH_GB1_3 CB_GB1_6 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 27 52 - OH_GB1_3 CG1_GB1_6 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 53 - OH_GB1_3 CG2_GB1_6 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 27 54 - OH_GB1_3 CD_GB1_6 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 27 55 + OH_GB1_3 CB_GB1_6 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 27 52 + OH_GB1_3 CG1_GB1_6 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 53 + OH_GB1_3 CG2_GB1_6 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 27 54 + OH_GB1_3 CD_GB1_6 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 27 55 OH_GB1_3 H_GB1_7 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 59 - OH_GB1_3 CB_GB1_7 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 61 - OH_GB1_3 CG_GB1_7 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 27 62 - OH_GB1_3 CD1_GB1_7 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 27 63 - OH_GB1_3 CD2_GB1_7 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 27 64 + OH_GB1_3 CB_GB1_7 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 61 + OH_GB1_3 CG_GB1_7 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 27 62 + OH_GB1_3 CD1_GB1_7 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 27 63 + OH_GB1_3 CD2_GB1_7 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 27 64 OH_GB1_3 H_GB1_8 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 68 - OH_GB1_3 CB_GB1_8 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 70 + OH_GB1_3 CB_GB1_8 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 70 OH_GB1_3 H_GB1_9 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 77 - OH_GB1_3 CA_GB1_9 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 78 + OH_GB1_3 CA_GB1_9 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 78 OH_GB1_3 H_GB1_10 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 82 - OH_GB1_3 CB_GB1_10 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 84 - OH_GB1_3 CG_GB1_10 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 85 - OH_GB1_3 CD_GB1_10 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 86 - OH_GB1_3 CE_GB1_10 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 87 + OH_GB1_3 CB_GB1_10 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 84 + OH_GB1_3 CG_GB1_10 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 85 + OH_GB1_3 CD_GB1_10 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 86 + OH_GB1_3 CE_GB1_10 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 87 OH_GB1_3 H_GB1_11 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 92 - OH_GB1_3 CB_GB1_11 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 27 94 - OH_GB1_3 CG2_GB1_11 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 27 96 + OH_GB1_3 CB_GB1_11 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 27 94 + OH_GB1_3 CG2_GB1_11 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 27 96 OH_GB1_3 H_GB1_12 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 100 - OH_GB1_3 CB_GB1_12 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 102 - OH_GB1_3 CG_GB1_12 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 27 103 - OH_GB1_3 CD1_GB1_12 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 27 104 - OH_GB1_3 CD2_GB1_12 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 27 105 + OH_GB1_3 CB_GB1_12 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 102 + OH_GB1_3 CG_GB1_12 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 27 103 + OH_GB1_3 CD1_GB1_12 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 27 104 + OH_GB1_3 CD2_GB1_12 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 27 105 OH_GB1_3 H_GB1_13 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 109 - OH_GB1_3 CB_GB1_13 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 111 - OH_GB1_3 CG_GB1_13 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 112 - OH_GB1_3 CD_GB1_13 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 113 - OH_GB1_3 CE_GB1_13 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 114 + OH_GB1_3 CB_GB1_13 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 111 + OH_GB1_3 CG_GB1_13 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 112 + OH_GB1_3 CD_GB1_13 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 113 + OH_GB1_3 CE_GB1_13 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 114 OH_GB1_3 H_GB1_14 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 119 - OH_GB1_3 CA_GB1_14 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 120 + OH_GB1_3 CA_GB1_14 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 120 OH_GB1_3 H_GB1_15 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 124 - OH_GB1_3 CB_GB1_15 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 126 - OH_GB1_3 CG_GB1_15 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 127 + OH_GB1_3 CB_GB1_15 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 126 + OH_GB1_3 CG_GB1_15 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 127 OH_GB1_3 H_GB1_16 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 134 - OH_GB1_3 CB_GB1_16 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 27 136 - OH_GB1_3 CG2_GB1_16 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 27 138 + OH_GB1_3 CB_GB1_16 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 27 136 + OH_GB1_3 CG2_GB1_16 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 27 138 OH_GB1_3 H_GB1_17 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 142 - OH_GB1_3 CB_GB1_17 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 27 144 - OH_GB1_3 CG2_GB1_17 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 27 146 + OH_GB1_3 CB_GB1_17 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 27 144 + OH_GB1_3 CG2_GB1_17 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 27 146 OH_GB1_3 H_GB1_18 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 150 - OH_GB1_3 CB_GB1_18 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 27 152 - OH_GB1_3 CG2_GB1_18 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 27 154 + OH_GB1_3 CB_GB1_18 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 27 152 + OH_GB1_3 CG2_GB1_18 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 27 154 OH_GB1_3 H_GB1_19 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 158 - OH_GB1_3 CB_GB1_19 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 160 - OH_GB1_3 CG_GB1_19 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 161 + OH_GB1_3 CB_GB1_19 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 160 + OH_GB1_3 CG_GB1_19 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 161 OH_GB1_3 H_GB1_20 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 168 - OH_GB1_3 CB_GB1_20 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 27 170 + OH_GB1_3 CB_GB1_20 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 27 170 OH_GB1_3 H_GB1_21 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 174 - OH_GB1_3 CB_GB1_21 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 27 176 - OH_GB1_3 CG1_GB1_21 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 27 177 - OH_GB1_3 CG2_GB1_21 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 27 178 + OH_GB1_3 CB_GB1_21 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 27 176 + OH_GB1_3 CG1_GB1_21 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 27 177 + OH_GB1_3 CG2_GB1_21 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 27 178 OH_GB1_3 H_GB1_22 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 182 - OH_GB1_3 CB_GB1_22 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 184 + OH_GB1_3 CB_GB1_22 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 184 OH_GB1_3 H_GB1_23 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 191 - OH_GB1_3 CB_GB1_23 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 27 193 + OH_GB1_3 CB_GB1_23 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 27 193 OH_GB1_3 H_GB1_24 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 197 - OH_GB1_3 CB_GB1_24 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 27 199 + OH_GB1_3 CB_GB1_24 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 27 199 OH_GB1_3 H_GB1_25 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 203 - OH_GB1_3 CB_GB1_25 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 27 205 - OH_GB1_3 CG2_GB1_25 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 27 207 + OH_GB1_3 CB_GB1_25 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 27 205 + OH_GB1_3 CG2_GB1_25 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 27 207 OH_GB1_3 H_GB1_26 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 211 - OH_GB1_3 CB_GB1_26 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 27 213 + OH_GB1_3 CB_GB1_26 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 27 213 OH_GB1_3 H_GB1_27 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 217 - OH_GB1_3 CB_GB1_27 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 219 - OH_GB1_3 CG_GB1_27 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 220 + OH_GB1_3 CB_GB1_27 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 219 + OH_GB1_3 CG_GB1_27 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 220 OH_GB1_3 H_GB1_28 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 227 - OH_GB1_3 CB_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 229 - OH_GB1_3 CG_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 230 - OH_GB1_3 CD_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 231 - OH_GB1_3 CE_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 232 + OH_GB1_3 CB_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 229 + OH_GB1_3 CG_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 230 + OH_GB1_3 CD_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 231 + OH_GB1_3 CE_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 232 OH_GB1_3 H_GB1_29 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 237 - OH_GB1_3 CB_GB1_29 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 27 239 - OH_GB1_3 CG1_GB1_29 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 27 240 - OH_GB1_3 CG2_GB1_29 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 27 241 + OH_GB1_3 CB_GB1_29 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 27 239 + OH_GB1_3 CG1_GB1_29 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 27 240 + OH_GB1_3 CG2_GB1_29 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 27 241 OH_GB1_3 H_GB1_30 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 245 - OH_GB1_3 CB_GB1_30 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 247 + OH_GB1_3 CB_GB1_30 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 247 OH_GB1_3 H_GB1_31 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 257 - OH_GB1_3 CB_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 259 - OH_GB1_3 CG_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 260 - OH_GB1_3 CD_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 261 - OH_GB1_3 CE_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 262 + OH_GB1_3 CB_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 259 + OH_GB1_3 CG_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 260 + OH_GB1_3 CD_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 261 + OH_GB1_3 CE_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 262 OH_GB1_3 H_GB1_32 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 267 - OH_GB1_3 CB_GB1_32 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 269 - OH_GB1_3 CG_GB1_32 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 270 + OH_GB1_3 CB_GB1_32 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 269 + OH_GB1_3 CG_GB1_32 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 270 OH_GB1_3 H_GB1_33 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 277 - OH_GB1_3 CB_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 279 + OH_GB1_3 CB_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 279 OH_GB1_3 H_GB1_34 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 290 - OH_GB1_3 CB_GB1_34 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 27 292 + OH_GB1_3 CB_GB1_34 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 27 292 OH_GB1_3 H_GB1_35 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 296 - OH_GB1_3 CB_GB1_35 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 298 + OH_GB1_3 CB_GB1_35 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 298 OH_GB1_3 H_GB1_36 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 305 - OH_GB1_3 CB_GB1_36 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 307 + OH_GB1_3 CB_GB1_36 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 307 OH_GB1_3 H_GB1_37 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 314 - OH_GB1_3 CB_GB1_37 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 316 + OH_GB1_3 CB_GB1_37 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 316 OH_GB1_3 H_GB1_38 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 323 - OH_GB1_3 CA_GB1_38 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 324 + OH_GB1_3 CA_GB1_38 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 324 OH_GB1_3 H_GB1_39 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 328 - OH_GB1_3 CB_GB1_39 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 27 330 - OH_GB1_3 CG1_GB1_39 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 27 331 - OH_GB1_3 CG2_GB1_39 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 27 332 + OH_GB1_3 CB_GB1_39 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 27 330 + OH_GB1_3 CG1_GB1_39 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 27 331 + OH_GB1_3 CG2_GB1_39 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 27 332 OH_GB1_3 H_GB1_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 336 - OH_GB1_3 CB_GB1_40 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 338 + OH_GB1_3 CB_GB1_40 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 338 OH_GB1_3 H_GB1_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 345 - OH_GB1_3 CA_GB1_41 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 346 + OH_GB1_3 CA_GB1_41 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 346 OH_GB1_3 H_GB1_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 350 - OH_GB1_3 CB_GB1_42 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 352 - OH_GB1_3 CG_GB1_42 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 353 + OH_GB1_3 CB_GB1_42 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 352 + OH_GB1_3 CG_GB1_42 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 353 OH_GB1_3 H_GB1_43 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 360 - OH_GB1_3 CB_GB1_43 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 362 + OH_GB1_3 CB_GB1_43 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 362 OH_GB1_3 H_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 375 - OH_GB1_3 CB_GB1_44 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 27 377 - OH_GB1_3 CG2_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 27 379 + OH_GB1_3 CB_GB1_44 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 27 377 + OH_GB1_3 CG2_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 27 379 OH_GB1_3 H_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 383 - OH_GB1_3 CB_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 385 + OH_GB1_3 CB_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 385 OH_GB1_3 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 396 - OH_GB1_3 CB_GB1_46 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 398 + OH_GB1_3 CB_GB1_46 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 398 OH_GB1_3 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 405 - OH_GB1_3 CB_GB1_47 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 407 + OH_GB1_3 CB_GB1_47 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 407 OH_GB1_3 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 414 - OH_GB1_3 CB_GB1_48 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 27 416 + OH_GB1_3 CB_GB1_48 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 27 416 OH_GB1_3 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 420 - OH_GB1_3 CB_GB1_49 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 27 422 - OH_GB1_3 CG2_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 27 424 + OH_GB1_3 CB_GB1_49 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 27 422 + OH_GB1_3 CG2_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 27 424 OH_GB1_3 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 428 - OH_GB1_3 CB_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 430 - OH_GB1_3 CG_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 431 - OH_GB1_3 CD_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 432 - OH_GB1_3 CE_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 433 + OH_GB1_3 CB_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 430 + OH_GB1_3 CG_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 431 + OH_GB1_3 CD_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 432 + OH_GB1_3 CE_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 433 OH_GB1_3 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 438 - OH_GB1_3 CB_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 27 440 - OH_GB1_3 CG2_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 27 442 + OH_GB1_3 CB_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 27 440 + OH_GB1_3 CG2_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 27 442 OH_GB1_3 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 446 - OH_GB1_3 CB_GB1_52 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 448 + OH_GB1_3 CB_GB1_52 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 448 OH_GB1_3 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 458 - OH_GB1_3 CB_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 27 460 - OH_GB1_3 CG2_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 27 462 + OH_GB1_3 CB_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 27 460 + OH_GB1_3 CG2_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 27 462 OH_GB1_3 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 466 - OH_GB1_3 CB_GB1_54 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 27 468 - OH_GB1_3 CG1_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 27 469 - OH_GB1_3 CG2_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 27 470 + OH_GB1_3 CB_GB1_54 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 27 468 + OH_GB1_3 CG1_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 27 469 + OH_GB1_3 CG2_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 27 470 OH_GB1_3 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 474 - OH_GB1_3 CB_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 27 476 - OH_GB1_3 CG2_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 27 478 + OH_GB1_3 CB_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 27 476 + OH_GB1_3 CG2_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 27 478 OH_GB1_3 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 27 482 - OH_GB1_3 CB_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 484 - OH_GB1_3 CG_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 27 485 - C_GB1_3 CB_GB1_4 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 33 - C_GB1_3 CG_GB1_4 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 34 - C_GB1_3 CD_GB1_4 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 35 - C_GB1_3 CE_GB1_4 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 36 - C_GB1_3 CB_GB1_5 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 43 - C_GB1_3 CG_GB1_5 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 28 44 - C_GB1_3 CD1_GB1_5 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 28 45 - C_GB1_3 CD2_GB1_5 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 28 46 - C_GB1_3 CB_GB1_6 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 28 52 - C_GB1_3 CG1_GB1_6 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 53 - C_GB1_3 CG2_GB1_6 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 28 54 - C_GB1_3 CD_GB1_6 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 28 55 - C_GB1_3 CB_GB1_7 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 61 - C_GB1_3 CG_GB1_7 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 28 62 - C_GB1_3 CD1_GB1_7 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 28 63 - C_GB1_3 CD2_GB1_7 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 28 64 - C_GB1_3 CB_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 70 - C_GB1_3 CA_GB1_9 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 78 - C_GB1_3 CB_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 84 - C_GB1_3 CG_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 85 - C_GB1_3 CD_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 86 - C_GB1_3 CE_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 87 - C_GB1_3 CB_GB1_11 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 28 94 - C_GB1_3 CG2_GB1_11 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 28 96 - C_GB1_3 CB_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 102 - C_GB1_3 CG_GB1_12 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 28 103 - C_GB1_3 CD1_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 28 104 - C_GB1_3 CD2_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 28 105 - C_GB1_3 CB_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 111 - C_GB1_3 CG_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 112 - C_GB1_3 CD_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 113 - C_GB1_3 CE_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 114 - C_GB1_3 CA_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 120 - C_GB1_3 CB_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 126 - C_GB1_3 CG_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 127 - C_GB1_3 CB_GB1_16 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 28 136 - C_GB1_3 CG2_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 28 138 - C_GB1_3 CB_GB1_17 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 28 144 - C_GB1_3 CG2_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 28 146 - C_GB1_3 CB_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 28 152 - C_GB1_3 CG2_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 28 154 - C_GB1_3 CB_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 160 - C_GB1_3 CG_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 161 - C_GB1_3 CB_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 28 170 - C_GB1_3 CB_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 28 176 - C_GB1_3 CG1_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 28 177 - C_GB1_3 CG2_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 28 178 - C_GB1_3 CB_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 184 - C_GB1_3 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 28 193 - C_GB1_3 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 28 199 - C_GB1_3 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 28 205 - C_GB1_3 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 28 207 - C_GB1_3 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 28 213 - C_GB1_3 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 219 - C_GB1_3 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 220 - C_GB1_3 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 229 - C_GB1_3 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 230 - C_GB1_3 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 231 - C_GB1_3 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 232 - C_GB1_3 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 28 239 - C_GB1_3 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 28 240 - C_GB1_3 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 28 241 - C_GB1_3 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 247 - C_GB1_3 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 259 - C_GB1_3 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 260 - C_GB1_3 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 261 - C_GB1_3 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 262 - C_GB1_3 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 269 - C_GB1_3 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 270 - C_GB1_3 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 279 - C_GB1_3 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 28 292 - C_GB1_3 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 298 - C_GB1_3 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 307 - C_GB1_3 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 316 - C_GB1_3 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 324 - C_GB1_3 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 28 330 - C_GB1_3 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 28 331 - C_GB1_3 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 28 332 - C_GB1_3 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 338 - C_GB1_3 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 346 - C_GB1_3 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 352 - C_GB1_3 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 353 - C_GB1_3 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 362 - C_GB1_3 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 28 377 - C_GB1_3 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 28 379 - C_GB1_3 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 385 - C_GB1_3 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 398 - C_GB1_3 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 407 - C_GB1_3 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 28 416 - C_GB1_3 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 28 422 - C_GB1_3 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 28 424 - C_GB1_3 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 430 - C_GB1_3 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 431 - C_GB1_3 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 432 - C_GB1_3 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 433 - C_GB1_3 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 28 440 - C_GB1_3 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 28 442 - C_GB1_3 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 448 - C_GB1_3 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 28 460 - C_GB1_3 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 28 462 - C_GB1_3 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 28 468 - C_GB1_3 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 28 469 - C_GB1_3 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 28 470 - C_GB1_3 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 28 476 - C_GB1_3 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 28 478 - C_GB1_3 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 484 - C_GB1_3 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 28 485 + OH_GB1_3 CB_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 484 + OH_GB1_3 CG_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 27 485 + C_GB1_3 CB_GB1_4 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 33 + C_GB1_3 CG_GB1_4 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 34 + C_GB1_3 CD_GB1_4 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 35 + C_GB1_3 CE_GB1_4 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 36 + C_GB1_3 CB_GB1_5 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 43 + C_GB1_3 CG_GB1_5 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 28 44 + C_GB1_3 CD1_GB1_5 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 28 45 + C_GB1_3 CD2_GB1_5 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 28 46 + C_GB1_3 CB_GB1_6 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 28 52 + C_GB1_3 CG1_GB1_6 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 53 + C_GB1_3 CG2_GB1_6 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 28 54 + C_GB1_3 CD_GB1_6 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 28 55 + C_GB1_3 CB_GB1_7 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 61 + C_GB1_3 CG_GB1_7 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 28 62 + C_GB1_3 CD1_GB1_7 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 28 63 + C_GB1_3 CD2_GB1_7 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 28 64 + C_GB1_3 CB_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 70 + C_GB1_3 CA_GB1_9 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 78 + C_GB1_3 CB_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 84 + C_GB1_3 CG_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 85 + C_GB1_3 CD_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 86 + C_GB1_3 CE_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 87 + C_GB1_3 CB_GB1_11 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 28 94 + C_GB1_3 CG2_GB1_11 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 28 96 + C_GB1_3 CB_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 102 + C_GB1_3 CG_GB1_12 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 28 103 + C_GB1_3 CD1_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 28 104 + C_GB1_3 CD2_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 28 105 + C_GB1_3 CB_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 111 + C_GB1_3 CG_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 112 + C_GB1_3 CD_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 113 + C_GB1_3 CE_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 114 + C_GB1_3 CA_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 120 + C_GB1_3 CB_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 126 + C_GB1_3 CG_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 127 + C_GB1_3 CB_GB1_16 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 28 136 + C_GB1_3 CG2_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 28 138 + C_GB1_3 CB_GB1_17 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 28 144 + C_GB1_3 CG2_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 28 146 + C_GB1_3 CB_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 28 152 + C_GB1_3 CG2_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 28 154 + C_GB1_3 CB_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 160 + C_GB1_3 CG_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 161 + C_GB1_3 CB_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 28 170 + C_GB1_3 CB_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 28 176 + C_GB1_3 CG1_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 28 177 + C_GB1_3 CG2_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 28 178 + C_GB1_3 CB_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 184 + C_GB1_3 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 28 193 + C_GB1_3 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 28 199 + C_GB1_3 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 28 205 + C_GB1_3 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 28 207 + C_GB1_3 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 28 213 + C_GB1_3 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 219 + C_GB1_3 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 220 + C_GB1_3 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 229 + C_GB1_3 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 230 + C_GB1_3 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 231 + C_GB1_3 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 232 + C_GB1_3 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 28 239 + C_GB1_3 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 28 240 + C_GB1_3 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 28 241 + C_GB1_3 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 247 + C_GB1_3 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 259 + C_GB1_3 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 260 + C_GB1_3 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 261 + C_GB1_3 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 262 + C_GB1_3 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 269 + C_GB1_3 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 270 + C_GB1_3 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 279 + C_GB1_3 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 28 292 + C_GB1_3 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 298 + C_GB1_3 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 307 + C_GB1_3 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 316 + C_GB1_3 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 324 + C_GB1_3 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 28 330 + C_GB1_3 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 28 331 + C_GB1_3 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 28 332 + C_GB1_3 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 338 + C_GB1_3 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 346 + C_GB1_3 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 352 + C_GB1_3 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 353 + C_GB1_3 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 362 + C_GB1_3 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 28 377 + C_GB1_3 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 28 379 + C_GB1_3 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 385 + C_GB1_3 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 398 + C_GB1_3 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 407 + C_GB1_3 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 28 416 + C_GB1_3 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 28 422 + C_GB1_3 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 28 424 + C_GB1_3 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 430 + C_GB1_3 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 431 + C_GB1_3 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 432 + C_GB1_3 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 433 + C_GB1_3 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 28 440 + C_GB1_3 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 28 442 + C_GB1_3 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 448 + C_GB1_3 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 28 460 + C_GB1_3 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 28 462 + C_GB1_3 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 28 468 + C_GB1_3 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 28 469 + C_GB1_3 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 28 470 + C_GB1_3 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 28 476 + C_GB1_3 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 28 478 + C_GB1_3 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 484 + C_GB1_3 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 28 485 O_GB1_3 O_GB1_3 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 29 29 O_GB1_3 H_GB1_4 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 29 31 O_GB1_3 CB_GB1_4 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 29 33 @@ -3993,113 +3993,113 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573658e-04 5.159165e-08 O_GB1_3 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 29 488 O_GB1_3 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 29 490 O_GB1_3 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 29 491 - N_GB1_4 CB_GB1_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 33 - N_GB1_4 CG_GB1_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 34 - N_GB1_4 CD_GB1_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 35 - N_GB1_4 CE_GB1_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 36 - N_GB1_4 CB_GB1_5 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 43 - N_GB1_4 CG_GB1_5 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 30 44 - N_GB1_4 CD1_GB1_5 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 30 45 - N_GB1_4 CD2_GB1_5 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 30 46 - N_GB1_4 CB_GB1_6 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 30 52 - N_GB1_4 CG1_GB1_6 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 53 - N_GB1_4 CG2_GB1_6 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 30 54 - N_GB1_4 CD_GB1_6 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 30 55 - N_GB1_4 CB_GB1_7 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 61 - N_GB1_4 CG_GB1_7 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 30 62 - N_GB1_4 CD1_GB1_7 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 30 63 - N_GB1_4 CD2_GB1_7 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 30 64 - N_GB1_4 CB_GB1_8 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 70 - N_GB1_4 CA_GB1_9 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 78 - N_GB1_4 CB_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 84 - N_GB1_4 CG_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 85 - N_GB1_4 CD_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 86 - N_GB1_4 CE_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 87 - N_GB1_4 CB_GB1_11 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 30 94 - N_GB1_4 CG2_GB1_11 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 30 96 - N_GB1_4 CB_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 102 - N_GB1_4 CG_GB1_12 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 30 103 - N_GB1_4 CD1_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 30 104 - N_GB1_4 CD2_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 30 105 - N_GB1_4 CB_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 111 - N_GB1_4 CG_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 112 - N_GB1_4 CD_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 113 - N_GB1_4 CE_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 114 - N_GB1_4 CA_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 120 - N_GB1_4 CB_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 126 - N_GB1_4 CG_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 127 - N_GB1_4 CB_GB1_16 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 30 136 - N_GB1_4 CG2_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 30 138 - N_GB1_4 CB_GB1_17 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 30 144 - N_GB1_4 CG2_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 30 146 - N_GB1_4 CB_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 30 152 - N_GB1_4 CG2_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 30 154 - N_GB1_4 CB_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 160 - N_GB1_4 CG_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 161 - N_GB1_4 CB_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 30 170 - N_GB1_4 CB_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 30 176 - N_GB1_4 CG1_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 30 177 - N_GB1_4 CG2_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 30 178 - N_GB1_4 CB_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 184 - N_GB1_4 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 30 193 - N_GB1_4 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 30 199 - N_GB1_4 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 30 205 - N_GB1_4 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 30 207 - N_GB1_4 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 30 213 - N_GB1_4 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 219 - N_GB1_4 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 220 - N_GB1_4 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 229 - N_GB1_4 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 230 - N_GB1_4 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 231 - N_GB1_4 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 232 - N_GB1_4 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 30 239 - N_GB1_4 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 30 240 - N_GB1_4 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 30 241 - N_GB1_4 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 247 - N_GB1_4 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 259 - N_GB1_4 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 260 - N_GB1_4 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 261 - N_GB1_4 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 262 - N_GB1_4 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 269 - N_GB1_4 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 270 - N_GB1_4 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 279 - N_GB1_4 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 30 292 - N_GB1_4 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 298 - N_GB1_4 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 307 - N_GB1_4 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 316 - N_GB1_4 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 324 - N_GB1_4 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 30 330 - N_GB1_4 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 30 331 - N_GB1_4 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 30 332 - N_GB1_4 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 338 - N_GB1_4 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 346 - N_GB1_4 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 352 - N_GB1_4 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 353 - N_GB1_4 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 362 - N_GB1_4 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 30 377 - N_GB1_4 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 30 379 - N_GB1_4 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 385 - N_GB1_4 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 398 - N_GB1_4 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 407 - N_GB1_4 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 30 416 - N_GB1_4 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 30 422 - N_GB1_4 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 30 424 - N_GB1_4 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 430 - N_GB1_4 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 431 - N_GB1_4 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 432 - N_GB1_4 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 433 - N_GB1_4 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 30 440 - N_GB1_4 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 30 442 - N_GB1_4 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 448 - N_GB1_4 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 30 460 - N_GB1_4 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 30 462 - N_GB1_4 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 30 468 - N_GB1_4 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 30 469 - N_GB1_4 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 30 470 - N_GB1_4 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 30 476 - N_GB1_4 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 30 478 - N_GB1_4 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 484 - N_GB1_4 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 30 485 + N_GB1_4 CB_GB1_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 33 + N_GB1_4 CG_GB1_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 34 + N_GB1_4 CD_GB1_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 35 + N_GB1_4 CE_GB1_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 36 + N_GB1_4 CB_GB1_5 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 43 + N_GB1_4 CG_GB1_5 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 30 44 + N_GB1_4 CD1_GB1_5 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 30 45 + N_GB1_4 CD2_GB1_5 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 30 46 + N_GB1_4 CB_GB1_6 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 30 52 + N_GB1_4 CG1_GB1_6 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 53 + N_GB1_4 CG2_GB1_6 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 30 54 + N_GB1_4 CD_GB1_6 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 30 55 + N_GB1_4 CB_GB1_7 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 61 + N_GB1_4 CG_GB1_7 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 30 62 + N_GB1_4 CD1_GB1_7 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 30 63 + N_GB1_4 CD2_GB1_7 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 30 64 + N_GB1_4 CB_GB1_8 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 70 + N_GB1_4 CA_GB1_9 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 78 + N_GB1_4 CB_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 84 + N_GB1_4 CG_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 85 + N_GB1_4 CD_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 86 + N_GB1_4 CE_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 87 + N_GB1_4 CB_GB1_11 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 30 94 + N_GB1_4 CG2_GB1_11 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 30 96 + N_GB1_4 CB_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 102 + N_GB1_4 CG_GB1_12 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 30 103 + N_GB1_4 CD1_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 30 104 + N_GB1_4 CD2_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 30 105 + N_GB1_4 CB_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 111 + N_GB1_4 CG_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 112 + N_GB1_4 CD_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 113 + N_GB1_4 CE_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 114 + N_GB1_4 CA_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 120 + N_GB1_4 CB_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 126 + N_GB1_4 CG_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 127 + N_GB1_4 CB_GB1_16 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 30 136 + N_GB1_4 CG2_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 30 138 + N_GB1_4 CB_GB1_17 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 30 144 + N_GB1_4 CG2_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 30 146 + N_GB1_4 CB_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 30 152 + N_GB1_4 CG2_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 30 154 + N_GB1_4 CB_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 160 + N_GB1_4 CG_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 161 + N_GB1_4 CB_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 30 170 + N_GB1_4 CB_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 30 176 + N_GB1_4 CG1_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 30 177 + N_GB1_4 CG2_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 30 178 + N_GB1_4 CB_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 184 + N_GB1_4 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 30 193 + N_GB1_4 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 30 199 + N_GB1_4 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 30 205 + N_GB1_4 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 30 207 + N_GB1_4 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 30 213 + N_GB1_4 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 219 + N_GB1_4 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 220 + N_GB1_4 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 229 + N_GB1_4 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 230 + N_GB1_4 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 231 + N_GB1_4 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 232 + N_GB1_4 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 30 239 + N_GB1_4 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 30 240 + N_GB1_4 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 30 241 + N_GB1_4 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 247 + N_GB1_4 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 259 + N_GB1_4 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 260 + N_GB1_4 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 261 + N_GB1_4 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 262 + N_GB1_4 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 269 + N_GB1_4 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 270 + N_GB1_4 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 279 + N_GB1_4 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 30 292 + N_GB1_4 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 298 + N_GB1_4 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 307 + N_GB1_4 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 316 + N_GB1_4 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 324 + N_GB1_4 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 30 330 + N_GB1_4 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 30 331 + N_GB1_4 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 30 332 + N_GB1_4 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 338 + N_GB1_4 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 346 + N_GB1_4 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 352 + N_GB1_4 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 353 + N_GB1_4 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 362 + N_GB1_4 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 30 377 + N_GB1_4 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 30 379 + N_GB1_4 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 385 + N_GB1_4 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 398 + N_GB1_4 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 407 + N_GB1_4 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 30 416 + N_GB1_4 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 30 422 + N_GB1_4 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 30 424 + N_GB1_4 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 430 + N_GB1_4 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 431 + N_GB1_4 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 432 + N_GB1_4 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 433 + N_GB1_4 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 30 440 + N_GB1_4 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 30 442 + N_GB1_4 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 448 + N_GB1_4 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 30 460 + N_GB1_4 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 30 462 + N_GB1_4 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 30 468 + N_GB1_4 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 30 469 + N_GB1_4 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 30 470 + N_GB1_4 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 30 476 + N_GB1_4 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 30 478 + N_GB1_4 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 484 + N_GB1_4 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 30 485 H_GB1_4 H_GB1_4 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 31 31 H_GB1_4 O_GB1_4 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 31 39 H_GB1_4 H_GB1_5 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 31 41 @@ -4243,1098 +4243,1098 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573658e-04 5.159165e-08 H_GB1_4 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 31 488 H_GB1_4 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 31 490 H_GB1_4 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 31 491 - CB_GB1_4 NZ_GB1_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 37 - CB_GB1_4 C_GB1_4 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 38 + CB_GB1_4 NZ_GB1_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 37 + CB_GB1_4 C_GB1_4 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 38 CB_GB1_4 O_GB1_4 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 39 - CB_GB1_4 N_GB1_5 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 40 - CB_GB1_4 C_GB1_5 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 47 + CB_GB1_4 N_GB1_5 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 40 + CB_GB1_4 C_GB1_5 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 47 CB_GB1_4 O_GB1_5 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 48 - CB_GB1_4 N_GB1_6 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 49 - CB_GB1_4 C_GB1_6 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 56 + CB_GB1_4 N_GB1_6 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 49 + CB_GB1_4 C_GB1_6 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 56 CB_GB1_4 O_GB1_6 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 57 - CB_GB1_4 N_GB1_7 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 58 - CB_GB1_4 C_GB1_7 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 65 + CB_GB1_4 N_GB1_7 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 58 + CB_GB1_4 C_GB1_7 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 65 CB_GB1_4 O_GB1_7 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 66 - CB_GB1_4 N_GB1_8 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 67 - CB_GB1_4 CG_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 71 + CB_GB1_4 N_GB1_8 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 67 + CB_GB1_4 CG_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 71 CB_GB1_4 OD1_GB1_8 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 72 - CB_GB1_4 ND2_GB1_8 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 33 73 - CB_GB1_4 C_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 74 + CB_GB1_4 ND2_GB1_8 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 33 73 + CB_GB1_4 C_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 74 CB_GB1_4 O_GB1_8 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 75 - CB_GB1_4 N_GB1_9 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 76 - CB_GB1_4 C_GB1_9 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 79 + CB_GB1_4 N_GB1_9 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 76 + CB_GB1_4 C_GB1_9 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 79 CB_GB1_4 O_GB1_9 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 80 - CB_GB1_4 N_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 81 - CB_GB1_4 NZ_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 88 - CB_GB1_4 C_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 89 + CB_GB1_4 N_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 81 + CB_GB1_4 NZ_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 88 + CB_GB1_4 C_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 89 CB_GB1_4 O_GB1_10 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 90 - CB_GB1_4 N_GB1_11 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 91 - CB_GB1_4 OG1_GB1_11 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 33 95 - CB_GB1_4 C_GB1_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 97 + CB_GB1_4 N_GB1_11 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 91 + CB_GB1_4 OG1_GB1_11 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 33 95 + CB_GB1_4 C_GB1_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 97 CB_GB1_4 O_GB1_11 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 98 - CB_GB1_4 N_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 99 - CB_GB1_4 C_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 106 + CB_GB1_4 N_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 99 + CB_GB1_4 C_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 106 CB_GB1_4 O_GB1_12 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 107 - CB_GB1_4 N_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 108 - CB_GB1_4 NZ_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 115 - CB_GB1_4 C_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 116 + CB_GB1_4 N_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 108 + CB_GB1_4 NZ_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 115 + CB_GB1_4 C_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 116 CB_GB1_4 O_GB1_13 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 117 - CB_GB1_4 N_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 118 - CB_GB1_4 C_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 121 + CB_GB1_4 N_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 118 + CB_GB1_4 C_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 121 CB_GB1_4 O_GB1_14 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 122 - CB_GB1_4 N_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 123 - CB_GB1_4 CD_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 128 - CB_GB1_4 OE1_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 33 129 - CB_GB1_4 OE2_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 33 130 - CB_GB1_4 C_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 131 + CB_GB1_4 N_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 123 + CB_GB1_4 CD_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 128 + CB_GB1_4 OE1_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 33 129 + CB_GB1_4 OE2_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 33 130 + CB_GB1_4 C_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 131 CB_GB1_4 O_GB1_15 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 132 - CB_GB1_4 N_GB1_16 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 133 - CB_GB1_4 OG1_GB1_16 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 33 137 - CB_GB1_4 C_GB1_16 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 139 + CB_GB1_4 N_GB1_16 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 133 + CB_GB1_4 OG1_GB1_16 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 33 137 + CB_GB1_4 C_GB1_16 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 139 CB_GB1_4 O_GB1_16 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 140 - CB_GB1_4 N_GB1_17 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 141 - CB_GB1_4 OG1_GB1_17 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 33 145 - CB_GB1_4 C_GB1_17 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 147 + CB_GB1_4 N_GB1_17 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 141 + CB_GB1_4 OG1_GB1_17 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 33 145 + CB_GB1_4 C_GB1_17 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 147 CB_GB1_4 O_GB1_17 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 148 - CB_GB1_4 N_GB1_18 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 149 - CB_GB1_4 OG1_GB1_18 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 33 153 - CB_GB1_4 C_GB1_18 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 155 + CB_GB1_4 N_GB1_18 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 149 + CB_GB1_4 OG1_GB1_18 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 33 153 + CB_GB1_4 C_GB1_18 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 155 CB_GB1_4 O_GB1_18 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 156 - CB_GB1_4 N_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 157 - CB_GB1_4 CD_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 162 - CB_GB1_4 OE1_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 33 163 - CB_GB1_4 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 33 164 - CB_GB1_4 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 165 + CB_GB1_4 N_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 157 + CB_GB1_4 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 162 + CB_GB1_4 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 33 163 + CB_GB1_4 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 33 164 + CB_GB1_4 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 165 CB_GB1_4 O_GB1_19 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 166 - CB_GB1_4 N_GB1_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 167 - CB_GB1_4 C_GB1_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 171 + CB_GB1_4 N_GB1_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 167 + CB_GB1_4 C_GB1_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 171 CB_GB1_4 O_GB1_20 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 172 - CB_GB1_4 N_GB1_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 173 - CB_GB1_4 C_GB1_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 179 + CB_GB1_4 N_GB1_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 173 + CB_GB1_4 C_GB1_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 179 CB_GB1_4 O_GB1_21 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 180 - CB_GB1_4 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 181 - CB_GB1_4 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 185 - CB_GB1_4 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 33 186 - CB_GB1_4 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 33 187 - CB_GB1_4 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 188 + CB_GB1_4 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 181 + CB_GB1_4 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 185 + CB_GB1_4 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 33 186 + CB_GB1_4 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 33 187 + CB_GB1_4 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 188 CB_GB1_4 O_GB1_22 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 189 - CB_GB1_4 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 190 - CB_GB1_4 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 194 + CB_GB1_4 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 190 + CB_GB1_4 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 194 CB_GB1_4 O_GB1_23 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 195 - CB_GB1_4 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 196 - CB_GB1_4 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 200 + CB_GB1_4 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 196 + CB_GB1_4 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 200 CB_GB1_4 O_GB1_24 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 201 - CB_GB1_4 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 202 - CB_GB1_4 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 33 206 - CB_GB1_4 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 208 + CB_GB1_4 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 202 + CB_GB1_4 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 33 206 + CB_GB1_4 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 208 CB_GB1_4 O_GB1_25 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 209 - CB_GB1_4 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 210 - CB_GB1_4 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 214 + CB_GB1_4 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 210 + CB_GB1_4 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 214 CB_GB1_4 O_GB1_26 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 215 - CB_GB1_4 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 216 - CB_GB1_4 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 221 - CB_GB1_4 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 33 222 - CB_GB1_4 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 33 223 - CB_GB1_4 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 224 + CB_GB1_4 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 216 + CB_GB1_4 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 221 + CB_GB1_4 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 33 222 + CB_GB1_4 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 33 223 + CB_GB1_4 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 224 CB_GB1_4 O_GB1_27 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 225 - CB_GB1_4 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 226 - CB_GB1_4 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 233 - CB_GB1_4 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 234 + CB_GB1_4 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 226 + CB_GB1_4 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 233 + CB_GB1_4 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 234 CB_GB1_4 O_GB1_28 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 235 - CB_GB1_4 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 236 - CB_GB1_4 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 242 + CB_GB1_4 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 236 + CB_GB1_4 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 242 CB_GB1_4 O_GB1_29 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 243 - CB_GB1_4 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 244 - CB_GB1_4 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 254 + CB_GB1_4 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 244 + CB_GB1_4 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 254 CB_GB1_4 O_GB1_30 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 255 - CB_GB1_4 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 256 - CB_GB1_4 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 263 - CB_GB1_4 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 264 + CB_GB1_4 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 256 + CB_GB1_4 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 263 + CB_GB1_4 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 264 CB_GB1_4 O_GB1_31 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 265 - CB_GB1_4 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 266 - CB_GB1_4 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 271 + CB_GB1_4 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 266 + CB_GB1_4 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 271 CB_GB1_4 OE1_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 272 - CB_GB1_4 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 33 273 - CB_GB1_4 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 274 + CB_GB1_4 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 33 273 + CB_GB1_4 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 274 CB_GB1_4 O_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 275 - CB_GB1_4 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 276 - CB_GB1_4 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 33 286 - CB_GB1_4 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 287 + CB_GB1_4 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 276 + CB_GB1_4 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 33 286 + CB_GB1_4 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 287 CB_GB1_4 O_GB1_33 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 288 - CB_GB1_4 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 289 - CB_GB1_4 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 293 + CB_GB1_4 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 289 + CB_GB1_4 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 293 CB_GB1_4 O_GB1_34 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 294 - CB_GB1_4 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 295 - CB_GB1_4 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 299 + CB_GB1_4 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 295 + CB_GB1_4 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 299 CB_GB1_4 OD1_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 300 - CB_GB1_4 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 33 301 - CB_GB1_4 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 302 + CB_GB1_4 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 33 301 + CB_GB1_4 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 302 CB_GB1_4 O_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 303 - CB_GB1_4 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 304 - CB_GB1_4 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 308 - CB_GB1_4 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 33 309 - CB_GB1_4 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 33 310 - CB_GB1_4 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 311 + CB_GB1_4 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 304 + CB_GB1_4 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 308 + CB_GB1_4 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 33 309 + CB_GB1_4 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 33 310 + CB_GB1_4 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 311 CB_GB1_4 O_GB1_36 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 312 - CB_GB1_4 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 313 - CB_GB1_4 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 317 + CB_GB1_4 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 313 + CB_GB1_4 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 317 CB_GB1_4 OD1_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 318 - CB_GB1_4 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 33 319 - CB_GB1_4 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 320 + CB_GB1_4 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 33 319 + CB_GB1_4 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 320 CB_GB1_4 O_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 321 - CB_GB1_4 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 322 - CB_GB1_4 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 325 + CB_GB1_4 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 322 + CB_GB1_4 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 325 CB_GB1_4 O_GB1_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 326 - CB_GB1_4 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 327 - CB_GB1_4 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 333 + CB_GB1_4 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 327 + CB_GB1_4 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 333 CB_GB1_4 O_GB1_39 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 334 - CB_GB1_4 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 335 - CB_GB1_4 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 339 - CB_GB1_4 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 33 340 - CB_GB1_4 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 33 341 - CB_GB1_4 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 342 + CB_GB1_4 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 335 + CB_GB1_4 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 339 + CB_GB1_4 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 33 340 + CB_GB1_4 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 33 341 + CB_GB1_4 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 342 CB_GB1_4 O_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 343 - CB_GB1_4 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 344 - CB_GB1_4 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 347 + CB_GB1_4 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 344 + CB_GB1_4 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 347 CB_GB1_4 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 348 - CB_GB1_4 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 349 - CB_GB1_4 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 354 - CB_GB1_4 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 33 355 - CB_GB1_4 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 33 356 - CB_GB1_4 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 357 + CB_GB1_4 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 349 + CB_GB1_4 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 354 + CB_GB1_4 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 33 355 + CB_GB1_4 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 33 356 + CB_GB1_4 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 357 CB_GB1_4 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 358 - CB_GB1_4 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 359 - CB_GB1_4 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 33 366 - CB_GB1_4 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 372 + CB_GB1_4 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 359 + CB_GB1_4 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 33 366 + CB_GB1_4 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 372 CB_GB1_4 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 373 - CB_GB1_4 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 374 - CB_GB1_4 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 33 378 - CB_GB1_4 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 380 + CB_GB1_4 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 374 + CB_GB1_4 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 33 378 + CB_GB1_4 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 380 CB_GB1_4 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 381 - CB_GB1_4 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 382 - CB_GB1_4 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 33 392 - CB_GB1_4 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 393 + CB_GB1_4 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 382 + CB_GB1_4 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 33 392 + CB_GB1_4 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 393 CB_GB1_4 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 394 - CB_GB1_4 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 395 - CB_GB1_4 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 399 - CB_GB1_4 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 33 400 - CB_GB1_4 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 33 401 - CB_GB1_4 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 402 + CB_GB1_4 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 395 + CB_GB1_4 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 399 + CB_GB1_4 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 33 400 + CB_GB1_4 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 33 401 + CB_GB1_4 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 402 CB_GB1_4 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 403 - CB_GB1_4 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 404 - CB_GB1_4 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 408 - CB_GB1_4 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 33 409 - CB_GB1_4 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 33 410 - CB_GB1_4 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 411 + CB_GB1_4 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 404 + CB_GB1_4 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 408 + CB_GB1_4 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 33 409 + CB_GB1_4 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 33 410 + CB_GB1_4 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 411 CB_GB1_4 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 412 - CB_GB1_4 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 413 - CB_GB1_4 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 417 + CB_GB1_4 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 413 + CB_GB1_4 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 417 CB_GB1_4 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 418 - CB_GB1_4 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 419 - CB_GB1_4 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 33 423 - CB_GB1_4 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 425 + CB_GB1_4 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 419 + CB_GB1_4 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 33 423 + CB_GB1_4 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 425 CB_GB1_4 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 426 - CB_GB1_4 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 427 - CB_GB1_4 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 434 - CB_GB1_4 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 435 + CB_GB1_4 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 427 + CB_GB1_4 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 434 + CB_GB1_4 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 435 CB_GB1_4 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 436 - CB_GB1_4 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 437 - CB_GB1_4 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 33 441 - CB_GB1_4 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 443 + CB_GB1_4 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 437 + CB_GB1_4 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 33 441 + CB_GB1_4 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 443 CB_GB1_4 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 444 - CB_GB1_4 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 445 - CB_GB1_4 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 455 + CB_GB1_4 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 445 + CB_GB1_4 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 455 CB_GB1_4 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 456 - CB_GB1_4 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 457 - CB_GB1_4 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 33 461 - CB_GB1_4 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 463 + CB_GB1_4 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 457 + CB_GB1_4 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 33 461 + CB_GB1_4 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 463 CB_GB1_4 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 464 - CB_GB1_4 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 465 - CB_GB1_4 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 471 + CB_GB1_4 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 465 + CB_GB1_4 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 471 CB_GB1_4 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 472 - CB_GB1_4 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 473 - CB_GB1_4 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 33 477 - CB_GB1_4 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 479 + CB_GB1_4 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 473 + CB_GB1_4 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 33 477 + CB_GB1_4 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 479 CB_GB1_4 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 33 480 - CB_GB1_4 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 33 481 - CB_GB1_4 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 486 - CB_GB1_4 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 33 487 - CB_GB1_4 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 33 488 - CB_GB1_4 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 33 489 - CB_GB1_4 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 33 490 - CB_GB1_4 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 33 491 - CG_GB1_4 NZ_GB1_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 37 - CG_GB1_4 C_GB1_4 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 38 + CB_GB1_4 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 33 481 + CB_GB1_4 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 486 + CB_GB1_4 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 33 487 + CB_GB1_4 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 33 488 + CB_GB1_4 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 33 489 + CB_GB1_4 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 33 490 + CB_GB1_4 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 33 491 + CG_GB1_4 NZ_GB1_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 37 + CG_GB1_4 C_GB1_4 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 38 CG_GB1_4 O_GB1_4 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 39 - CG_GB1_4 N_GB1_5 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 40 - CG_GB1_4 C_GB1_5 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 47 + CG_GB1_4 N_GB1_5 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 40 + CG_GB1_4 C_GB1_5 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 47 CG_GB1_4 O_GB1_5 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 48 - CG_GB1_4 N_GB1_6 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 49 - CG_GB1_4 C_GB1_6 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 56 + CG_GB1_4 N_GB1_6 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 49 + CG_GB1_4 C_GB1_6 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 56 CG_GB1_4 O_GB1_6 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 57 - CG_GB1_4 N_GB1_7 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 58 - CG_GB1_4 C_GB1_7 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 65 + CG_GB1_4 N_GB1_7 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 58 + CG_GB1_4 C_GB1_7 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 65 CG_GB1_4 O_GB1_7 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 66 - CG_GB1_4 N_GB1_8 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 67 - CG_GB1_4 CG_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 71 + CG_GB1_4 N_GB1_8 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 67 + CG_GB1_4 CG_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 71 CG_GB1_4 OD1_GB1_8 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 72 - CG_GB1_4 ND2_GB1_8 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 34 73 - CG_GB1_4 C_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 74 + CG_GB1_4 ND2_GB1_8 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 34 73 + CG_GB1_4 C_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 74 CG_GB1_4 O_GB1_8 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 75 - CG_GB1_4 N_GB1_9 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 76 - CG_GB1_4 C_GB1_9 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 79 + CG_GB1_4 N_GB1_9 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 76 + CG_GB1_4 C_GB1_9 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 79 CG_GB1_4 O_GB1_9 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 80 - CG_GB1_4 N_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 81 - CG_GB1_4 NZ_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 88 - CG_GB1_4 C_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 89 + CG_GB1_4 N_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 81 + CG_GB1_4 NZ_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 88 + CG_GB1_4 C_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 89 CG_GB1_4 O_GB1_10 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 90 - CG_GB1_4 N_GB1_11 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 91 - CG_GB1_4 OG1_GB1_11 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 34 95 - CG_GB1_4 C_GB1_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 97 + CG_GB1_4 N_GB1_11 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 91 + CG_GB1_4 OG1_GB1_11 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 34 95 + CG_GB1_4 C_GB1_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 97 CG_GB1_4 O_GB1_11 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 98 - CG_GB1_4 N_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 99 - CG_GB1_4 C_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 106 + CG_GB1_4 N_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 99 + CG_GB1_4 C_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 106 CG_GB1_4 O_GB1_12 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 107 - CG_GB1_4 N_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 108 - CG_GB1_4 NZ_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 115 - CG_GB1_4 C_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 116 + CG_GB1_4 N_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 108 + CG_GB1_4 NZ_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 115 + CG_GB1_4 C_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 116 CG_GB1_4 O_GB1_13 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 117 - CG_GB1_4 N_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 118 - CG_GB1_4 C_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 121 + CG_GB1_4 N_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 118 + CG_GB1_4 C_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 121 CG_GB1_4 O_GB1_14 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 122 - CG_GB1_4 N_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 123 - CG_GB1_4 CD_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 128 - CG_GB1_4 OE1_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 34 129 - CG_GB1_4 OE2_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 34 130 - CG_GB1_4 C_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 131 + CG_GB1_4 N_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 123 + CG_GB1_4 CD_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 128 + CG_GB1_4 OE1_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 34 129 + CG_GB1_4 OE2_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 34 130 + CG_GB1_4 C_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 131 CG_GB1_4 O_GB1_15 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 132 - CG_GB1_4 N_GB1_16 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 133 - CG_GB1_4 OG1_GB1_16 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 34 137 - CG_GB1_4 C_GB1_16 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 139 + CG_GB1_4 N_GB1_16 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 133 + CG_GB1_4 OG1_GB1_16 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 34 137 + CG_GB1_4 C_GB1_16 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 139 CG_GB1_4 O_GB1_16 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 140 - CG_GB1_4 N_GB1_17 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 141 - CG_GB1_4 OG1_GB1_17 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 34 145 - CG_GB1_4 C_GB1_17 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 147 + CG_GB1_4 N_GB1_17 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 141 + CG_GB1_4 OG1_GB1_17 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 34 145 + CG_GB1_4 C_GB1_17 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 147 CG_GB1_4 O_GB1_17 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 148 - CG_GB1_4 N_GB1_18 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 149 - CG_GB1_4 OG1_GB1_18 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 34 153 - CG_GB1_4 C_GB1_18 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 155 + CG_GB1_4 N_GB1_18 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 149 + CG_GB1_4 OG1_GB1_18 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 34 153 + CG_GB1_4 C_GB1_18 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 155 CG_GB1_4 O_GB1_18 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 156 - CG_GB1_4 N_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 157 - CG_GB1_4 CD_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 162 - CG_GB1_4 OE1_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 34 163 - CG_GB1_4 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 34 164 - CG_GB1_4 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 165 + CG_GB1_4 N_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 157 + CG_GB1_4 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 162 + CG_GB1_4 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 34 163 + CG_GB1_4 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 34 164 + CG_GB1_4 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 165 CG_GB1_4 O_GB1_19 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 166 - CG_GB1_4 N_GB1_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 167 - CG_GB1_4 C_GB1_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 171 + CG_GB1_4 N_GB1_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 167 + CG_GB1_4 C_GB1_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 171 CG_GB1_4 O_GB1_20 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 172 - CG_GB1_4 N_GB1_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 173 - CG_GB1_4 C_GB1_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 179 + CG_GB1_4 N_GB1_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 173 + CG_GB1_4 C_GB1_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 179 CG_GB1_4 O_GB1_21 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 180 - CG_GB1_4 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 181 - CG_GB1_4 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 185 - CG_GB1_4 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 34 186 - CG_GB1_4 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 34 187 - CG_GB1_4 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 188 + CG_GB1_4 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 181 + CG_GB1_4 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 185 + CG_GB1_4 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 34 186 + CG_GB1_4 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 34 187 + CG_GB1_4 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 188 CG_GB1_4 O_GB1_22 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 189 - CG_GB1_4 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 190 - CG_GB1_4 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 194 + CG_GB1_4 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 190 + CG_GB1_4 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 194 CG_GB1_4 O_GB1_23 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 195 - CG_GB1_4 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 196 - CG_GB1_4 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 200 + CG_GB1_4 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 196 + CG_GB1_4 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 200 CG_GB1_4 O_GB1_24 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 201 - CG_GB1_4 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 202 - CG_GB1_4 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 34 206 - CG_GB1_4 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 208 + CG_GB1_4 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 202 + CG_GB1_4 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 34 206 + CG_GB1_4 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 208 CG_GB1_4 O_GB1_25 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 209 - CG_GB1_4 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 210 - CG_GB1_4 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 214 + CG_GB1_4 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 210 + CG_GB1_4 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 214 CG_GB1_4 O_GB1_26 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 215 - CG_GB1_4 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 216 - CG_GB1_4 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 221 - CG_GB1_4 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 34 222 - CG_GB1_4 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 34 223 - CG_GB1_4 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 224 + CG_GB1_4 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 216 + CG_GB1_4 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 221 + CG_GB1_4 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 34 222 + CG_GB1_4 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 34 223 + CG_GB1_4 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 224 CG_GB1_4 O_GB1_27 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 225 - CG_GB1_4 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 226 - CG_GB1_4 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 233 - CG_GB1_4 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 234 + CG_GB1_4 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 226 + CG_GB1_4 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 233 + CG_GB1_4 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 234 CG_GB1_4 O_GB1_28 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 235 - CG_GB1_4 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 236 - CG_GB1_4 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 242 + CG_GB1_4 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 236 + CG_GB1_4 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 242 CG_GB1_4 O_GB1_29 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 243 - CG_GB1_4 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 244 - CG_GB1_4 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 254 + CG_GB1_4 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 244 + CG_GB1_4 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 254 CG_GB1_4 O_GB1_30 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 255 - CG_GB1_4 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 256 - CG_GB1_4 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 263 - CG_GB1_4 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 264 + CG_GB1_4 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 256 + CG_GB1_4 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 263 + CG_GB1_4 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 264 CG_GB1_4 O_GB1_31 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 265 - CG_GB1_4 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 266 - CG_GB1_4 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 271 + CG_GB1_4 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 266 + CG_GB1_4 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 271 CG_GB1_4 OE1_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 272 - CG_GB1_4 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 34 273 - CG_GB1_4 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 274 + CG_GB1_4 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 34 273 + CG_GB1_4 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 274 CG_GB1_4 O_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 275 - CG_GB1_4 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 276 - CG_GB1_4 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 34 286 - CG_GB1_4 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 287 + CG_GB1_4 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 276 + CG_GB1_4 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 34 286 + CG_GB1_4 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 287 CG_GB1_4 O_GB1_33 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 288 - CG_GB1_4 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 289 - CG_GB1_4 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 293 + CG_GB1_4 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 289 + CG_GB1_4 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 293 CG_GB1_4 O_GB1_34 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 294 - CG_GB1_4 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 295 - CG_GB1_4 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 299 + CG_GB1_4 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 295 + CG_GB1_4 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 299 CG_GB1_4 OD1_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 300 - CG_GB1_4 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 34 301 - CG_GB1_4 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 302 + CG_GB1_4 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 34 301 + CG_GB1_4 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 302 CG_GB1_4 O_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 303 - CG_GB1_4 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 304 - CG_GB1_4 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 308 - CG_GB1_4 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 34 309 - CG_GB1_4 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 34 310 - CG_GB1_4 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 311 + CG_GB1_4 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 304 + CG_GB1_4 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 308 + CG_GB1_4 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 34 309 + CG_GB1_4 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 34 310 + CG_GB1_4 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 311 CG_GB1_4 O_GB1_36 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 312 - CG_GB1_4 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 313 - CG_GB1_4 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 317 + CG_GB1_4 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 313 + CG_GB1_4 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 317 CG_GB1_4 OD1_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 318 - CG_GB1_4 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 34 319 - CG_GB1_4 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 320 + CG_GB1_4 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 34 319 + CG_GB1_4 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 320 CG_GB1_4 O_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 321 - CG_GB1_4 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 322 - CG_GB1_4 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 325 + CG_GB1_4 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 322 + CG_GB1_4 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 325 CG_GB1_4 O_GB1_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 326 - CG_GB1_4 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 327 - CG_GB1_4 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 333 + CG_GB1_4 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 327 + CG_GB1_4 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 333 CG_GB1_4 O_GB1_39 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 334 - CG_GB1_4 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 335 - CG_GB1_4 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 339 - CG_GB1_4 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 34 340 - CG_GB1_4 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 34 341 - CG_GB1_4 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 342 + CG_GB1_4 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 335 + CG_GB1_4 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 339 + CG_GB1_4 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 34 340 + CG_GB1_4 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 34 341 + CG_GB1_4 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 342 CG_GB1_4 O_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 343 - CG_GB1_4 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 344 - CG_GB1_4 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 347 + CG_GB1_4 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 344 + CG_GB1_4 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 347 CG_GB1_4 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 348 - CG_GB1_4 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 349 - CG_GB1_4 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 354 - CG_GB1_4 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 34 355 - CG_GB1_4 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 34 356 - CG_GB1_4 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 357 + CG_GB1_4 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 349 + CG_GB1_4 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 354 + CG_GB1_4 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 34 355 + CG_GB1_4 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 34 356 + CG_GB1_4 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 357 CG_GB1_4 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 358 - CG_GB1_4 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 359 - CG_GB1_4 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 34 366 - CG_GB1_4 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 372 + CG_GB1_4 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 359 + CG_GB1_4 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 34 366 + CG_GB1_4 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 372 CG_GB1_4 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 373 - CG_GB1_4 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 374 - CG_GB1_4 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 34 378 - CG_GB1_4 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 380 + CG_GB1_4 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 374 + CG_GB1_4 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 34 378 + CG_GB1_4 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 380 CG_GB1_4 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 381 - CG_GB1_4 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 382 - CG_GB1_4 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 34 392 - CG_GB1_4 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 393 + CG_GB1_4 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 382 + CG_GB1_4 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 34 392 + CG_GB1_4 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 393 CG_GB1_4 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 394 - CG_GB1_4 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 395 - CG_GB1_4 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 399 - CG_GB1_4 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 34 400 - CG_GB1_4 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 34 401 - CG_GB1_4 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 402 + CG_GB1_4 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 395 + CG_GB1_4 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 399 + CG_GB1_4 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 34 400 + CG_GB1_4 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 34 401 + CG_GB1_4 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 402 CG_GB1_4 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 403 - CG_GB1_4 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 404 - CG_GB1_4 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 408 - CG_GB1_4 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 34 409 - CG_GB1_4 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 34 410 - CG_GB1_4 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 411 + CG_GB1_4 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 404 + CG_GB1_4 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 408 + CG_GB1_4 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 34 409 + CG_GB1_4 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 34 410 + CG_GB1_4 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 411 CG_GB1_4 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 412 - CG_GB1_4 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 413 - CG_GB1_4 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 417 + CG_GB1_4 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 413 + CG_GB1_4 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 417 CG_GB1_4 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 418 - CG_GB1_4 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 419 - CG_GB1_4 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 34 423 - CG_GB1_4 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 425 + CG_GB1_4 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 419 + CG_GB1_4 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 34 423 + CG_GB1_4 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 425 CG_GB1_4 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 426 - CG_GB1_4 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 427 - CG_GB1_4 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 434 - CG_GB1_4 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 435 + CG_GB1_4 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 427 + CG_GB1_4 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 434 + CG_GB1_4 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 435 CG_GB1_4 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 436 - CG_GB1_4 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 437 - CG_GB1_4 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 34 441 - CG_GB1_4 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 443 + CG_GB1_4 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 437 + CG_GB1_4 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 34 441 + CG_GB1_4 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 443 CG_GB1_4 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 444 - CG_GB1_4 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 445 - CG_GB1_4 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 455 + CG_GB1_4 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 445 + CG_GB1_4 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 455 CG_GB1_4 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 456 - CG_GB1_4 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 457 - CG_GB1_4 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 34 461 - CG_GB1_4 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 463 + CG_GB1_4 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 457 + CG_GB1_4 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 34 461 + CG_GB1_4 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 463 CG_GB1_4 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 464 - CG_GB1_4 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 465 - CG_GB1_4 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 471 + CG_GB1_4 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 465 + CG_GB1_4 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 471 CG_GB1_4 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 472 - CG_GB1_4 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 473 - CG_GB1_4 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 34 477 - CG_GB1_4 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 479 + CG_GB1_4 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 473 + CG_GB1_4 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 34 477 + CG_GB1_4 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 479 CG_GB1_4 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 34 480 - CG_GB1_4 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 34 481 - CG_GB1_4 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 486 - CG_GB1_4 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 34 487 - CG_GB1_4 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 34 488 - CG_GB1_4 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 34 489 - CG_GB1_4 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 34 490 - CG_GB1_4 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 34 491 - CD_GB1_4 NZ_GB1_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 37 - CD_GB1_4 C_GB1_4 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 38 + CG_GB1_4 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 34 481 + CG_GB1_4 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 486 + CG_GB1_4 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 34 487 + CG_GB1_4 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 34 488 + CG_GB1_4 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 34 489 + CG_GB1_4 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 34 490 + CG_GB1_4 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 34 491 + CD_GB1_4 NZ_GB1_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 37 + CD_GB1_4 C_GB1_4 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 38 CD_GB1_4 O_GB1_4 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 39 - CD_GB1_4 N_GB1_5 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 40 - CD_GB1_4 C_GB1_5 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 47 + CD_GB1_4 N_GB1_5 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 40 + CD_GB1_4 C_GB1_5 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 47 CD_GB1_4 O_GB1_5 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 48 - CD_GB1_4 N_GB1_6 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 49 - CD_GB1_4 C_GB1_6 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 56 + CD_GB1_4 N_GB1_6 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 49 + CD_GB1_4 C_GB1_6 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 56 CD_GB1_4 O_GB1_6 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 57 - CD_GB1_4 N_GB1_7 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 58 - CD_GB1_4 C_GB1_7 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 65 + CD_GB1_4 N_GB1_7 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 58 + CD_GB1_4 C_GB1_7 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 65 CD_GB1_4 O_GB1_7 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 66 - CD_GB1_4 N_GB1_8 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 67 - CD_GB1_4 CG_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 71 + CD_GB1_4 N_GB1_8 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 67 + CD_GB1_4 CG_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 71 CD_GB1_4 OD1_GB1_8 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 72 - CD_GB1_4 ND2_GB1_8 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 35 73 - CD_GB1_4 C_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 74 + CD_GB1_4 ND2_GB1_8 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 35 73 + CD_GB1_4 C_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 74 CD_GB1_4 O_GB1_8 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 75 - CD_GB1_4 N_GB1_9 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 76 - CD_GB1_4 C_GB1_9 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 79 + CD_GB1_4 N_GB1_9 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 76 + CD_GB1_4 C_GB1_9 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 79 CD_GB1_4 O_GB1_9 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 80 - CD_GB1_4 N_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 81 - CD_GB1_4 NZ_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 88 - CD_GB1_4 C_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 89 + CD_GB1_4 N_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 81 + CD_GB1_4 NZ_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 88 + CD_GB1_4 C_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 89 CD_GB1_4 O_GB1_10 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 90 - CD_GB1_4 N_GB1_11 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 91 - CD_GB1_4 OG1_GB1_11 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 35 95 - CD_GB1_4 C_GB1_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 97 + CD_GB1_4 N_GB1_11 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 91 + CD_GB1_4 OG1_GB1_11 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 35 95 + CD_GB1_4 C_GB1_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 97 CD_GB1_4 O_GB1_11 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 98 - CD_GB1_4 N_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 99 - CD_GB1_4 C_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 106 + CD_GB1_4 N_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 99 + CD_GB1_4 C_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 106 CD_GB1_4 O_GB1_12 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 107 - CD_GB1_4 N_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 108 - CD_GB1_4 NZ_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 115 - CD_GB1_4 C_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 116 + CD_GB1_4 N_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 108 + CD_GB1_4 NZ_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 115 + CD_GB1_4 C_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 116 CD_GB1_4 O_GB1_13 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 117 - CD_GB1_4 N_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 118 - CD_GB1_4 C_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 121 + CD_GB1_4 N_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 118 + CD_GB1_4 C_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 121 CD_GB1_4 O_GB1_14 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 122 - CD_GB1_4 N_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 123 - CD_GB1_4 CD_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 128 - CD_GB1_4 OE1_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 35 129 - CD_GB1_4 OE2_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 35 130 - CD_GB1_4 C_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 131 + CD_GB1_4 N_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 123 + CD_GB1_4 CD_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 128 + CD_GB1_4 OE1_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 35 129 + CD_GB1_4 OE2_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 35 130 + CD_GB1_4 C_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 131 CD_GB1_4 O_GB1_15 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 132 - CD_GB1_4 N_GB1_16 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 133 - CD_GB1_4 OG1_GB1_16 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 35 137 - CD_GB1_4 C_GB1_16 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 139 + CD_GB1_4 N_GB1_16 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 133 + CD_GB1_4 OG1_GB1_16 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 35 137 + CD_GB1_4 C_GB1_16 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 139 CD_GB1_4 O_GB1_16 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 140 - CD_GB1_4 N_GB1_17 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 141 - CD_GB1_4 OG1_GB1_17 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 35 145 - CD_GB1_4 C_GB1_17 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 147 + CD_GB1_4 N_GB1_17 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 141 + CD_GB1_4 OG1_GB1_17 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 35 145 + CD_GB1_4 C_GB1_17 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 147 CD_GB1_4 O_GB1_17 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 148 - CD_GB1_4 N_GB1_18 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 149 - CD_GB1_4 OG1_GB1_18 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 35 153 - CD_GB1_4 C_GB1_18 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 155 + CD_GB1_4 N_GB1_18 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 149 + CD_GB1_4 OG1_GB1_18 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 35 153 + CD_GB1_4 C_GB1_18 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 155 CD_GB1_4 O_GB1_18 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 156 - CD_GB1_4 N_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 157 - CD_GB1_4 CD_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 162 - CD_GB1_4 OE1_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 35 163 - CD_GB1_4 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 35 164 - CD_GB1_4 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 165 + CD_GB1_4 N_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 157 + CD_GB1_4 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 162 + CD_GB1_4 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 35 163 + CD_GB1_4 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 35 164 + CD_GB1_4 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 165 CD_GB1_4 O_GB1_19 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 166 - CD_GB1_4 N_GB1_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 167 - CD_GB1_4 C_GB1_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 171 + CD_GB1_4 N_GB1_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 167 + CD_GB1_4 C_GB1_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 171 CD_GB1_4 O_GB1_20 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 172 - CD_GB1_4 N_GB1_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 173 - CD_GB1_4 C_GB1_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 179 + CD_GB1_4 N_GB1_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 173 + CD_GB1_4 C_GB1_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 179 CD_GB1_4 O_GB1_21 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 180 - CD_GB1_4 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 181 - CD_GB1_4 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 185 - CD_GB1_4 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 35 186 - CD_GB1_4 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 35 187 - CD_GB1_4 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 188 + CD_GB1_4 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 181 + CD_GB1_4 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 185 + CD_GB1_4 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 35 186 + CD_GB1_4 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 35 187 + CD_GB1_4 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 188 CD_GB1_4 O_GB1_22 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 189 - CD_GB1_4 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 190 - CD_GB1_4 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 194 + CD_GB1_4 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 190 + CD_GB1_4 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 194 CD_GB1_4 O_GB1_23 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 195 - CD_GB1_4 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 196 - CD_GB1_4 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 200 + CD_GB1_4 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 196 + CD_GB1_4 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 200 CD_GB1_4 O_GB1_24 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 201 - CD_GB1_4 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 202 - CD_GB1_4 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 35 206 - CD_GB1_4 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 208 + CD_GB1_4 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 202 + CD_GB1_4 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 35 206 + CD_GB1_4 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 208 CD_GB1_4 O_GB1_25 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 209 - CD_GB1_4 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 210 - CD_GB1_4 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 214 + CD_GB1_4 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 210 + CD_GB1_4 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 214 CD_GB1_4 O_GB1_26 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 215 - CD_GB1_4 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 216 - CD_GB1_4 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 221 - CD_GB1_4 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 35 222 - CD_GB1_4 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 35 223 - CD_GB1_4 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 224 + CD_GB1_4 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 216 + CD_GB1_4 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 221 + CD_GB1_4 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 35 222 + CD_GB1_4 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 35 223 + CD_GB1_4 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 224 CD_GB1_4 O_GB1_27 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 225 - CD_GB1_4 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 226 - CD_GB1_4 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 233 - CD_GB1_4 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 234 + CD_GB1_4 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 226 + CD_GB1_4 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 233 + CD_GB1_4 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 234 CD_GB1_4 O_GB1_28 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 235 - CD_GB1_4 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 236 - CD_GB1_4 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 242 + CD_GB1_4 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 236 + CD_GB1_4 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 242 CD_GB1_4 O_GB1_29 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 243 - CD_GB1_4 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 244 - CD_GB1_4 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 254 + CD_GB1_4 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 244 + CD_GB1_4 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 254 CD_GB1_4 O_GB1_30 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 255 - CD_GB1_4 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 256 - CD_GB1_4 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 263 - CD_GB1_4 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 264 + CD_GB1_4 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 256 + CD_GB1_4 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 263 + CD_GB1_4 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 264 CD_GB1_4 O_GB1_31 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 265 - CD_GB1_4 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 266 - CD_GB1_4 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 271 + CD_GB1_4 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 266 + CD_GB1_4 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 271 CD_GB1_4 OE1_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 272 - CD_GB1_4 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 35 273 - CD_GB1_4 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 274 + CD_GB1_4 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 35 273 + CD_GB1_4 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 274 CD_GB1_4 O_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 275 - CD_GB1_4 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 276 - CD_GB1_4 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 35 286 - CD_GB1_4 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 287 + CD_GB1_4 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 276 + CD_GB1_4 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 35 286 + CD_GB1_4 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 287 CD_GB1_4 O_GB1_33 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 288 - CD_GB1_4 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 289 - CD_GB1_4 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 293 + CD_GB1_4 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 289 + CD_GB1_4 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 293 CD_GB1_4 O_GB1_34 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 294 - CD_GB1_4 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 295 - CD_GB1_4 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 299 + CD_GB1_4 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 295 + CD_GB1_4 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 299 CD_GB1_4 OD1_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 300 - CD_GB1_4 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 35 301 - CD_GB1_4 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 302 + CD_GB1_4 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 35 301 + CD_GB1_4 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 302 CD_GB1_4 O_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 303 - CD_GB1_4 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 304 - CD_GB1_4 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 308 - CD_GB1_4 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 35 309 - CD_GB1_4 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 35 310 - CD_GB1_4 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 311 + CD_GB1_4 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 304 + CD_GB1_4 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 308 + CD_GB1_4 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 35 309 + CD_GB1_4 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 35 310 + CD_GB1_4 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 311 CD_GB1_4 O_GB1_36 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 312 - CD_GB1_4 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 313 - CD_GB1_4 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 317 + CD_GB1_4 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 313 + CD_GB1_4 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 317 CD_GB1_4 OD1_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 318 - CD_GB1_4 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 35 319 - CD_GB1_4 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 320 + CD_GB1_4 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 35 319 + CD_GB1_4 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 320 CD_GB1_4 O_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 321 - CD_GB1_4 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 322 - CD_GB1_4 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 325 + CD_GB1_4 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 322 + CD_GB1_4 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 325 CD_GB1_4 O_GB1_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 326 - CD_GB1_4 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 327 - CD_GB1_4 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 333 + CD_GB1_4 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 327 + CD_GB1_4 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 333 CD_GB1_4 O_GB1_39 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 334 - CD_GB1_4 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 335 - CD_GB1_4 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 339 - CD_GB1_4 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 35 340 - CD_GB1_4 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 35 341 - CD_GB1_4 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 342 + CD_GB1_4 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 335 + CD_GB1_4 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 339 + CD_GB1_4 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 35 340 + CD_GB1_4 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 35 341 + CD_GB1_4 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 342 CD_GB1_4 O_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 343 - CD_GB1_4 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 344 - CD_GB1_4 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 347 + CD_GB1_4 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 344 + CD_GB1_4 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 347 CD_GB1_4 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 348 - CD_GB1_4 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 349 - CD_GB1_4 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 354 - CD_GB1_4 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 35 355 - CD_GB1_4 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 35 356 - CD_GB1_4 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 357 + CD_GB1_4 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 349 + CD_GB1_4 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 354 + CD_GB1_4 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 35 355 + CD_GB1_4 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 35 356 + CD_GB1_4 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 357 CD_GB1_4 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 358 - CD_GB1_4 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 359 - CD_GB1_4 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 35 366 - CD_GB1_4 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 372 + CD_GB1_4 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 359 + CD_GB1_4 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 35 366 + CD_GB1_4 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 372 CD_GB1_4 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 373 - CD_GB1_4 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 374 - CD_GB1_4 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 35 378 - CD_GB1_4 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 380 + CD_GB1_4 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 374 + CD_GB1_4 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 35 378 + CD_GB1_4 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 380 CD_GB1_4 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 381 - CD_GB1_4 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 382 - CD_GB1_4 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 35 392 - CD_GB1_4 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 393 + CD_GB1_4 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 382 + CD_GB1_4 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 35 392 + CD_GB1_4 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 393 CD_GB1_4 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 394 - CD_GB1_4 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 395 - CD_GB1_4 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 399 - CD_GB1_4 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 35 400 - CD_GB1_4 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 35 401 - CD_GB1_4 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 402 + CD_GB1_4 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 395 + CD_GB1_4 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 399 + CD_GB1_4 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 35 400 + CD_GB1_4 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 35 401 + CD_GB1_4 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 402 CD_GB1_4 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 403 - CD_GB1_4 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 404 - CD_GB1_4 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 408 - CD_GB1_4 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 35 409 - CD_GB1_4 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 35 410 - CD_GB1_4 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 411 + CD_GB1_4 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 404 + CD_GB1_4 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 408 + CD_GB1_4 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 35 409 + CD_GB1_4 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 35 410 + CD_GB1_4 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 411 CD_GB1_4 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 412 - CD_GB1_4 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 413 - CD_GB1_4 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 417 + CD_GB1_4 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 413 + CD_GB1_4 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 417 CD_GB1_4 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 418 - CD_GB1_4 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 419 - CD_GB1_4 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 35 423 - CD_GB1_4 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 425 + CD_GB1_4 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 419 + CD_GB1_4 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 35 423 + CD_GB1_4 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 425 CD_GB1_4 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 426 - CD_GB1_4 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 427 - CD_GB1_4 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 434 - CD_GB1_4 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 435 + CD_GB1_4 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 427 + CD_GB1_4 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 434 + CD_GB1_4 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 435 CD_GB1_4 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 436 - CD_GB1_4 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 437 - CD_GB1_4 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 35 441 - CD_GB1_4 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 443 + CD_GB1_4 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 437 + CD_GB1_4 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 35 441 + CD_GB1_4 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 443 CD_GB1_4 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 444 - CD_GB1_4 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 445 - CD_GB1_4 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 455 + CD_GB1_4 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 445 + CD_GB1_4 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 455 CD_GB1_4 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 456 - CD_GB1_4 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 457 - CD_GB1_4 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 35 461 - CD_GB1_4 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 463 + CD_GB1_4 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 457 + CD_GB1_4 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 35 461 + CD_GB1_4 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 463 CD_GB1_4 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 464 - CD_GB1_4 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 465 - CD_GB1_4 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 471 + CD_GB1_4 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 465 + CD_GB1_4 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 471 CD_GB1_4 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 472 - CD_GB1_4 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 473 - CD_GB1_4 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 35 477 - CD_GB1_4 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 479 + CD_GB1_4 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 473 + CD_GB1_4 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 35 477 + CD_GB1_4 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 479 CD_GB1_4 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 35 480 - CD_GB1_4 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 35 481 - CD_GB1_4 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 486 - CD_GB1_4 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 35 487 - CD_GB1_4 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 35 488 - CD_GB1_4 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 35 489 - CD_GB1_4 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 35 490 - CD_GB1_4 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 35 491 - CE_GB1_4 NZ_GB1_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 37 - CE_GB1_4 C_GB1_4 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 38 + CD_GB1_4 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 35 481 + CD_GB1_4 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 486 + CD_GB1_4 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 35 487 + CD_GB1_4 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 35 488 + CD_GB1_4 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 35 489 + CD_GB1_4 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 35 490 + CD_GB1_4 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 35 491 + CE_GB1_4 NZ_GB1_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 37 + CE_GB1_4 C_GB1_4 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 38 CE_GB1_4 O_GB1_4 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 39 - CE_GB1_4 N_GB1_5 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 40 - CE_GB1_4 C_GB1_5 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 47 + CE_GB1_4 N_GB1_5 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 40 + CE_GB1_4 C_GB1_5 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 47 CE_GB1_4 O_GB1_5 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 48 - CE_GB1_4 N_GB1_6 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 49 - CE_GB1_4 C_GB1_6 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 56 + CE_GB1_4 N_GB1_6 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 49 + CE_GB1_4 C_GB1_6 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 56 CE_GB1_4 O_GB1_6 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 57 - CE_GB1_4 N_GB1_7 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 58 - CE_GB1_4 C_GB1_7 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 65 + CE_GB1_4 N_GB1_7 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 58 + CE_GB1_4 C_GB1_7 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 65 CE_GB1_4 O_GB1_7 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 66 - CE_GB1_4 N_GB1_8 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 67 - CE_GB1_4 CG_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 71 + CE_GB1_4 N_GB1_8 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 67 + CE_GB1_4 CG_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 71 CE_GB1_4 OD1_GB1_8 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 72 - CE_GB1_4 ND2_GB1_8 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 36 73 - CE_GB1_4 C_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 74 + CE_GB1_4 ND2_GB1_8 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 36 73 + CE_GB1_4 C_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 74 CE_GB1_4 O_GB1_8 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 75 - CE_GB1_4 N_GB1_9 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 76 - CE_GB1_4 C_GB1_9 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 79 + CE_GB1_4 N_GB1_9 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 76 + CE_GB1_4 C_GB1_9 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 79 CE_GB1_4 O_GB1_9 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 80 - CE_GB1_4 N_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 81 - CE_GB1_4 NZ_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 88 - CE_GB1_4 C_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 89 + CE_GB1_4 N_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 81 + CE_GB1_4 NZ_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 88 + CE_GB1_4 C_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 89 CE_GB1_4 O_GB1_10 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 90 - CE_GB1_4 N_GB1_11 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 91 - CE_GB1_4 OG1_GB1_11 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 36 95 - CE_GB1_4 C_GB1_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 97 + CE_GB1_4 N_GB1_11 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 91 + CE_GB1_4 OG1_GB1_11 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 36 95 + CE_GB1_4 C_GB1_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 97 CE_GB1_4 O_GB1_11 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 98 - CE_GB1_4 N_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 99 - CE_GB1_4 C_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 106 + CE_GB1_4 N_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 99 + CE_GB1_4 C_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 106 CE_GB1_4 O_GB1_12 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 107 - CE_GB1_4 N_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 108 - CE_GB1_4 NZ_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 115 - CE_GB1_4 C_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 116 + CE_GB1_4 N_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 108 + CE_GB1_4 NZ_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 115 + CE_GB1_4 C_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 116 CE_GB1_4 O_GB1_13 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 117 - CE_GB1_4 N_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 118 - CE_GB1_4 C_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 121 + CE_GB1_4 N_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 118 + CE_GB1_4 C_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 121 CE_GB1_4 O_GB1_14 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 122 - CE_GB1_4 N_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 123 - CE_GB1_4 CD_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 128 - CE_GB1_4 OE1_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 36 129 - CE_GB1_4 OE2_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 36 130 - CE_GB1_4 C_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 131 + CE_GB1_4 N_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 123 + CE_GB1_4 CD_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 128 + CE_GB1_4 OE1_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 36 129 + CE_GB1_4 OE2_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 36 130 + CE_GB1_4 C_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 131 CE_GB1_4 O_GB1_15 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 132 - CE_GB1_4 N_GB1_16 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 133 - CE_GB1_4 OG1_GB1_16 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 36 137 - CE_GB1_4 C_GB1_16 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 139 + CE_GB1_4 N_GB1_16 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 133 + CE_GB1_4 OG1_GB1_16 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 36 137 + CE_GB1_4 C_GB1_16 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 139 CE_GB1_4 O_GB1_16 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 140 - CE_GB1_4 N_GB1_17 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 141 - CE_GB1_4 OG1_GB1_17 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 36 145 - CE_GB1_4 C_GB1_17 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 147 + CE_GB1_4 N_GB1_17 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 141 + CE_GB1_4 OG1_GB1_17 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 36 145 + CE_GB1_4 C_GB1_17 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 147 CE_GB1_4 O_GB1_17 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 148 - CE_GB1_4 N_GB1_18 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 149 - CE_GB1_4 OG1_GB1_18 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 36 153 - CE_GB1_4 C_GB1_18 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 155 + CE_GB1_4 N_GB1_18 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 149 + CE_GB1_4 OG1_GB1_18 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 36 153 + CE_GB1_4 C_GB1_18 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 155 CE_GB1_4 O_GB1_18 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 156 - CE_GB1_4 N_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 157 - CE_GB1_4 CD_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 162 - CE_GB1_4 OE1_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 36 163 - CE_GB1_4 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 36 164 - CE_GB1_4 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 165 + CE_GB1_4 N_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 157 + CE_GB1_4 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 162 + CE_GB1_4 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 36 163 + CE_GB1_4 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 36 164 + CE_GB1_4 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 165 CE_GB1_4 O_GB1_19 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 166 - CE_GB1_4 N_GB1_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 167 - CE_GB1_4 C_GB1_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 171 + CE_GB1_4 N_GB1_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 167 + CE_GB1_4 C_GB1_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 171 CE_GB1_4 O_GB1_20 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 172 - CE_GB1_4 N_GB1_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 173 - CE_GB1_4 C_GB1_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 179 + CE_GB1_4 N_GB1_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 173 + CE_GB1_4 C_GB1_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 179 CE_GB1_4 O_GB1_21 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 180 - CE_GB1_4 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 181 - CE_GB1_4 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 185 - CE_GB1_4 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 36 186 - CE_GB1_4 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 36 187 - CE_GB1_4 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 188 + CE_GB1_4 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 181 + CE_GB1_4 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 185 + CE_GB1_4 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 36 186 + CE_GB1_4 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 36 187 + CE_GB1_4 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 188 CE_GB1_4 O_GB1_22 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 189 - CE_GB1_4 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 190 - CE_GB1_4 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 194 + CE_GB1_4 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 190 + CE_GB1_4 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 194 CE_GB1_4 O_GB1_23 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 195 - CE_GB1_4 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 196 - CE_GB1_4 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 200 + CE_GB1_4 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 196 + CE_GB1_4 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 200 CE_GB1_4 O_GB1_24 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 201 - CE_GB1_4 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 202 - CE_GB1_4 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 36 206 - CE_GB1_4 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 208 + CE_GB1_4 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 202 + CE_GB1_4 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 36 206 + CE_GB1_4 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 208 CE_GB1_4 O_GB1_25 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 209 - CE_GB1_4 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 210 - CE_GB1_4 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 214 + CE_GB1_4 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 210 + CE_GB1_4 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 214 CE_GB1_4 O_GB1_26 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 215 - CE_GB1_4 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 216 - CE_GB1_4 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 221 - CE_GB1_4 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 36 222 - CE_GB1_4 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 36 223 - CE_GB1_4 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 224 + CE_GB1_4 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 216 + CE_GB1_4 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 221 + CE_GB1_4 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 36 222 + CE_GB1_4 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 36 223 + CE_GB1_4 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 224 CE_GB1_4 O_GB1_27 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 225 - CE_GB1_4 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 226 - CE_GB1_4 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 233 - CE_GB1_4 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 234 + CE_GB1_4 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 226 + CE_GB1_4 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 233 + CE_GB1_4 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 234 CE_GB1_4 O_GB1_28 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 235 - CE_GB1_4 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 236 - CE_GB1_4 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 242 + CE_GB1_4 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 236 + CE_GB1_4 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 242 CE_GB1_4 O_GB1_29 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 243 - CE_GB1_4 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 244 - CE_GB1_4 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 254 + CE_GB1_4 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 244 + CE_GB1_4 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 254 CE_GB1_4 O_GB1_30 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 255 - CE_GB1_4 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 256 - CE_GB1_4 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 263 - CE_GB1_4 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 264 + CE_GB1_4 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 256 + CE_GB1_4 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 263 + CE_GB1_4 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 264 CE_GB1_4 O_GB1_31 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 265 - CE_GB1_4 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 266 - CE_GB1_4 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 271 + CE_GB1_4 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 266 + CE_GB1_4 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 271 CE_GB1_4 OE1_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 272 - CE_GB1_4 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 36 273 - CE_GB1_4 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 274 + CE_GB1_4 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 36 273 + CE_GB1_4 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 274 CE_GB1_4 O_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 275 - CE_GB1_4 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 276 - CE_GB1_4 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 36 286 - CE_GB1_4 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 287 + CE_GB1_4 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 276 + CE_GB1_4 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 36 286 + CE_GB1_4 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 287 CE_GB1_4 O_GB1_33 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 288 - CE_GB1_4 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 289 - CE_GB1_4 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 293 + CE_GB1_4 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 289 + CE_GB1_4 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 293 CE_GB1_4 O_GB1_34 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 294 - CE_GB1_4 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 295 - CE_GB1_4 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 299 + CE_GB1_4 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 295 + CE_GB1_4 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 299 CE_GB1_4 OD1_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 300 - CE_GB1_4 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 36 301 - CE_GB1_4 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 302 + CE_GB1_4 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 36 301 + CE_GB1_4 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 302 CE_GB1_4 O_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 303 - CE_GB1_4 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 304 - CE_GB1_4 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 308 - CE_GB1_4 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 36 309 - CE_GB1_4 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 36 310 - CE_GB1_4 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 311 + CE_GB1_4 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 304 + CE_GB1_4 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 308 + CE_GB1_4 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 36 309 + CE_GB1_4 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 36 310 + CE_GB1_4 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 311 CE_GB1_4 O_GB1_36 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 312 - CE_GB1_4 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 313 - CE_GB1_4 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 317 + CE_GB1_4 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 313 + CE_GB1_4 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 317 CE_GB1_4 OD1_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 318 - CE_GB1_4 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 36 319 - CE_GB1_4 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 320 + CE_GB1_4 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 36 319 + CE_GB1_4 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 320 CE_GB1_4 O_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 321 - CE_GB1_4 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 322 - CE_GB1_4 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 325 + CE_GB1_4 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 322 + CE_GB1_4 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 325 CE_GB1_4 O_GB1_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 326 - CE_GB1_4 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 327 - CE_GB1_4 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 333 + CE_GB1_4 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 327 + CE_GB1_4 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 333 CE_GB1_4 O_GB1_39 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 334 - CE_GB1_4 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 335 - CE_GB1_4 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 339 - CE_GB1_4 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 36 340 - CE_GB1_4 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 36 341 - CE_GB1_4 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 342 + CE_GB1_4 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 335 + CE_GB1_4 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 339 + CE_GB1_4 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 36 340 + CE_GB1_4 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 36 341 + CE_GB1_4 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 342 CE_GB1_4 O_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 343 - CE_GB1_4 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 344 - CE_GB1_4 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 347 + CE_GB1_4 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 344 + CE_GB1_4 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 347 CE_GB1_4 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 348 - CE_GB1_4 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 349 - CE_GB1_4 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 354 - CE_GB1_4 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 36 355 - CE_GB1_4 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 36 356 - CE_GB1_4 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 357 + CE_GB1_4 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 349 + CE_GB1_4 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 354 + CE_GB1_4 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 36 355 + CE_GB1_4 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 36 356 + CE_GB1_4 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 357 CE_GB1_4 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 358 - CE_GB1_4 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 359 - CE_GB1_4 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 36 366 - CE_GB1_4 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 372 + CE_GB1_4 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 359 + CE_GB1_4 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 36 366 + CE_GB1_4 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 372 CE_GB1_4 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 373 - CE_GB1_4 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 374 - CE_GB1_4 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 36 378 - CE_GB1_4 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 380 + CE_GB1_4 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 374 + CE_GB1_4 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 36 378 + CE_GB1_4 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 380 CE_GB1_4 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 381 - CE_GB1_4 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 382 - CE_GB1_4 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 36 392 - CE_GB1_4 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 393 + CE_GB1_4 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 382 + CE_GB1_4 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 36 392 + CE_GB1_4 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 393 CE_GB1_4 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 394 - CE_GB1_4 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 395 - CE_GB1_4 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 399 - CE_GB1_4 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 36 400 - CE_GB1_4 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 36 401 - CE_GB1_4 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 402 + CE_GB1_4 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 395 + CE_GB1_4 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 399 + CE_GB1_4 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 36 400 + CE_GB1_4 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 36 401 + CE_GB1_4 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 402 CE_GB1_4 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 403 - CE_GB1_4 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 404 - CE_GB1_4 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 408 - CE_GB1_4 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 36 409 - CE_GB1_4 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 36 410 - CE_GB1_4 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 411 + CE_GB1_4 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 404 + CE_GB1_4 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 408 + CE_GB1_4 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 36 409 + CE_GB1_4 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 36 410 + CE_GB1_4 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 411 CE_GB1_4 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 412 - CE_GB1_4 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 413 - CE_GB1_4 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 417 + CE_GB1_4 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 413 + CE_GB1_4 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 417 CE_GB1_4 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 418 - CE_GB1_4 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 419 - CE_GB1_4 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 36 423 - CE_GB1_4 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 425 + CE_GB1_4 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 419 + CE_GB1_4 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 36 423 + CE_GB1_4 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 425 CE_GB1_4 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 426 - CE_GB1_4 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 427 - CE_GB1_4 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 434 - CE_GB1_4 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 435 + CE_GB1_4 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 427 + CE_GB1_4 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 434 + CE_GB1_4 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 435 CE_GB1_4 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 436 - CE_GB1_4 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 437 - CE_GB1_4 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 36 441 - CE_GB1_4 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 443 + CE_GB1_4 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 437 + CE_GB1_4 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 36 441 + CE_GB1_4 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 443 CE_GB1_4 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 444 - CE_GB1_4 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 445 - CE_GB1_4 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 455 + CE_GB1_4 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 445 + CE_GB1_4 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 455 CE_GB1_4 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 456 - CE_GB1_4 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 457 - CE_GB1_4 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 36 461 - CE_GB1_4 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 463 + CE_GB1_4 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 457 + CE_GB1_4 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 36 461 + CE_GB1_4 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 463 CE_GB1_4 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 464 - CE_GB1_4 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 465 - CE_GB1_4 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 471 + CE_GB1_4 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 465 + CE_GB1_4 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 471 CE_GB1_4 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 472 - CE_GB1_4 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 473 - CE_GB1_4 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 36 477 - CE_GB1_4 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 479 + CE_GB1_4 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 473 + CE_GB1_4 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 36 477 + CE_GB1_4 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 479 CE_GB1_4 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 36 480 - CE_GB1_4 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 36 481 - CE_GB1_4 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 486 - CE_GB1_4 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 36 487 - CE_GB1_4 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 36 488 - CE_GB1_4 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 36 489 - CE_GB1_4 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 36 490 - CE_GB1_4 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 36 491 + CE_GB1_4 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 36 481 + CE_GB1_4 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 486 + CE_GB1_4 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 36 487 + CE_GB1_4 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 36 488 + CE_GB1_4 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 36 489 + CE_GB1_4 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 36 490 + CE_GB1_4 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 36 491 NZ_GB1_4 NZ_GB1_4 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.0 1.0 1.0 1.0 False mg 7 37 37 - NZ_GB1_4 CB_GB1_5 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 43 - NZ_GB1_4 CG_GB1_5 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 37 44 - NZ_GB1_4 CD1_GB1_5 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 37 45 - NZ_GB1_4 CD2_GB1_5 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 37 46 - NZ_GB1_4 CB_GB1_6 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 37 52 - NZ_GB1_4 CG1_GB1_6 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 53 - NZ_GB1_4 CG2_GB1_6 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 37 54 - NZ_GB1_4 CD_GB1_6 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 37 55 - NZ_GB1_4 CB_GB1_7 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 61 - NZ_GB1_4 CG_GB1_7 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 37 62 - NZ_GB1_4 CD1_GB1_7 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 37 63 - NZ_GB1_4 CD2_GB1_7 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 37 64 - NZ_GB1_4 CB_GB1_8 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 70 - NZ_GB1_4 CA_GB1_9 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 78 - NZ_GB1_4 CB_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 84 - NZ_GB1_4 CG_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 85 - NZ_GB1_4 CD_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 86 - NZ_GB1_4 CE_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 87 + NZ_GB1_4 CB_GB1_5 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 43 + NZ_GB1_4 CG_GB1_5 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 37 44 + NZ_GB1_4 CD1_GB1_5 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 37 45 + NZ_GB1_4 CD2_GB1_5 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 37 46 + NZ_GB1_4 CB_GB1_6 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 37 52 + NZ_GB1_4 CG1_GB1_6 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 53 + NZ_GB1_4 CG2_GB1_6 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 37 54 + NZ_GB1_4 CD_GB1_6 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 37 55 + NZ_GB1_4 CB_GB1_7 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 61 + NZ_GB1_4 CG_GB1_7 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 37 62 + NZ_GB1_4 CD1_GB1_7 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 37 63 + NZ_GB1_4 CD2_GB1_7 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 37 64 + NZ_GB1_4 CB_GB1_8 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 70 + NZ_GB1_4 CA_GB1_9 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 78 + NZ_GB1_4 CB_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 84 + NZ_GB1_4 CG_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 85 + NZ_GB1_4 CD_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 86 + NZ_GB1_4 CE_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 87 NZ_GB1_4 NZ_GB1_10 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.0 1.0 1.0 1.0 False mg 7 37 88 - NZ_GB1_4 CB_GB1_11 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 37 94 - NZ_GB1_4 CG2_GB1_11 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 37 96 - NZ_GB1_4 CB_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 102 - NZ_GB1_4 CG_GB1_12 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 37 103 - NZ_GB1_4 CD1_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 37 104 - NZ_GB1_4 CD2_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 37 105 - NZ_GB1_4 CB_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 111 - NZ_GB1_4 CG_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 112 - NZ_GB1_4 CD_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 113 - NZ_GB1_4 CE_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 114 + NZ_GB1_4 CB_GB1_11 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 37 94 + NZ_GB1_4 CG2_GB1_11 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 37 96 + NZ_GB1_4 CB_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 102 + NZ_GB1_4 CG_GB1_12 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 37 103 + NZ_GB1_4 CD1_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 37 104 + NZ_GB1_4 CD2_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 37 105 + NZ_GB1_4 CB_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 111 + NZ_GB1_4 CG_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 112 + NZ_GB1_4 CD_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 113 + NZ_GB1_4 CE_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 114 NZ_GB1_4 NZ_GB1_13 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.0 1.0 1.0 1.0 False mg 7 37 115 - NZ_GB1_4 CA_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 120 - NZ_GB1_4 CB_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 126 - NZ_GB1_4 CG_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 127 - NZ_GB1_4 CB_GB1_16 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 37 136 - NZ_GB1_4 CG2_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 37 138 - NZ_GB1_4 CB_GB1_17 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 37 144 - NZ_GB1_4 CG2_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 37 146 - NZ_GB1_4 CB_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 37 152 - NZ_GB1_4 CG2_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 37 154 - NZ_GB1_4 CB_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 160 - NZ_GB1_4 CG_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 161 - NZ_GB1_4 CB_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 37 170 - NZ_GB1_4 CB_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 37 176 - NZ_GB1_4 CG1_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 37 177 - NZ_GB1_4 CG2_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 37 178 - NZ_GB1_4 CB_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 184 - NZ_GB1_4 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 37 193 - NZ_GB1_4 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 37 199 - NZ_GB1_4 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 37 205 - NZ_GB1_4 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 37 207 - NZ_GB1_4 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 37 213 - NZ_GB1_4 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 219 - NZ_GB1_4 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 220 - NZ_GB1_4 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 229 - NZ_GB1_4 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 230 - NZ_GB1_4 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 231 - NZ_GB1_4 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 232 + NZ_GB1_4 CA_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 120 + NZ_GB1_4 CB_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 126 + NZ_GB1_4 CG_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 127 + NZ_GB1_4 CB_GB1_16 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 37 136 + NZ_GB1_4 CG2_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 37 138 + NZ_GB1_4 CB_GB1_17 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 37 144 + NZ_GB1_4 CG2_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 37 146 + NZ_GB1_4 CB_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 37 152 + NZ_GB1_4 CG2_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 37 154 + NZ_GB1_4 CB_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 160 + NZ_GB1_4 CG_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 161 + NZ_GB1_4 CB_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 37 170 + NZ_GB1_4 CB_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 37 176 + NZ_GB1_4 CG1_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 37 177 + NZ_GB1_4 CG2_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 37 178 + NZ_GB1_4 CB_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 184 + NZ_GB1_4 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 37 193 + NZ_GB1_4 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 37 199 + NZ_GB1_4 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 37 205 + NZ_GB1_4 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 37 207 + NZ_GB1_4 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 37 213 + NZ_GB1_4 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 219 + NZ_GB1_4 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 220 + NZ_GB1_4 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 229 + NZ_GB1_4 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 230 + NZ_GB1_4 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 231 + NZ_GB1_4 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 232 NZ_GB1_4 NZ_GB1_28 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.0 1.0 1.0 1.0 False mg 7 37 233 - NZ_GB1_4 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 37 239 - NZ_GB1_4 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 37 240 - NZ_GB1_4 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 37 241 - NZ_GB1_4 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 247 - NZ_GB1_4 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 259 - NZ_GB1_4 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 260 - NZ_GB1_4 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 261 - NZ_GB1_4 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 262 + NZ_GB1_4 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 37 239 + NZ_GB1_4 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 37 240 + NZ_GB1_4 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 37 241 + NZ_GB1_4 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 247 + NZ_GB1_4 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 259 + NZ_GB1_4 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 260 + NZ_GB1_4 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 261 + NZ_GB1_4 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 262 NZ_GB1_4 NZ_GB1_31 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.0 1.0 1.0 1.0 False mg 7 37 263 - NZ_GB1_4 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 269 - NZ_GB1_4 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 270 - NZ_GB1_4 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 279 - NZ_GB1_4 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 37 292 - NZ_GB1_4 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 298 - NZ_GB1_4 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 307 - NZ_GB1_4 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 316 - NZ_GB1_4 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 324 - NZ_GB1_4 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 37 330 - NZ_GB1_4 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 37 331 - NZ_GB1_4 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 37 332 - NZ_GB1_4 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 338 - NZ_GB1_4 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 346 - NZ_GB1_4 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 352 - NZ_GB1_4 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 353 - NZ_GB1_4 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 362 - NZ_GB1_4 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 37 377 - NZ_GB1_4 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 37 379 - NZ_GB1_4 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 385 - NZ_GB1_4 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 398 - NZ_GB1_4 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 407 - NZ_GB1_4 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 37 416 - NZ_GB1_4 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 37 422 - NZ_GB1_4 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 37 424 - NZ_GB1_4 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 430 - NZ_GB1_4 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 431 - NZ_GB1_4 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 432 - NZ_GB1_4 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 433 + NZ_GB1_4 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 269 + NZ_GB1_4 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 270 + NZ_GB1_4 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 279 + NZ_GB1_4 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 37 292 + NZ_GB1_4 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 298 + NZ_GB1_4 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 307 + NZ_GB1_4 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 316 + NZ_GB1_4 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 324 + NZ_GB1_4 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 37 330 + NZ_GB1_4 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 37 331 + NZ_GB1_4 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 37 332 + NZ_GB1_4 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 338 + NZ_GB1_4 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 346 + NZ_GB1_4 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 352 + NZ_GB1_4 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 353 + NZ_GB1_4 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 362 + NZ_GB1_4 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 37 377 + NZ_GB1_4 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 37 379 + NZ_GB1_4 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 385 + NZ_GB1_4 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 398 + NZ_GB1_4 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 407 + NZ_GB1_4 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 37 416 + NZ_GB1_4 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 37 422 + NZ_GB1_4 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 37 424 + NZ_GB1_4 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 430 + NZ_GB1_4 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 431 + NZ_GB1_4 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 432 + NZ_GB1_4 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 433 NZ_GB1_4 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.0 1.0 1.0 1.0 False mg 7 37 434 - NZ_GB1_4 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 37 440 - NZ_GB1_4 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 37 442 - NZ_GB1_4 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 448 - NZ_GB1_4 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 37 460 - NZ_GB1_4 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 37 462 - NZ_GB1_4 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 37 468 - NZ_GB1_4 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 37 469 - NZ_GB1_4 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 37 470 - NZ_GB1_4 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 37 476 - NZ_GB1_4 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 37 478 - NZ_GB1_4 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 484 - NZ_GB1_4 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 37 485 - C_GB1_4 CB_GB1_5 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 43 - C_GB1_4 CG_GB1_5 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 38 44 - C_GB1_4 CD1_GB1_5 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 38 45 - C_GB1_4 CD2_GB1_5 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 38 46 - C_GB1_4 CB_GB1_6 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 38 52 - C_GB1_4 CG1_GB1_6 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 53 - C_GB1_4 CG2_GB1_6 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 38 54 - C_GB1_4 CD_GB1_6 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 38 55 - C_GB1_4 CB_GB1_7 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 61 - C_GB1_4 CG_GB1_7 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 38 62 - C_GB1_4 CD1_GB1_7 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 38 63 - C_GB1_4 CD2_GB1_7 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 38 64 - C_GB1_4 CB_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 70 - C_GB1_4 CA_GB1_9 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 78 - C_GB1_4 CB_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 84 - C_GB1_4 CG_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 85 - C_GB1_4 CD_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 86 - C_GB1_4 CE_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 87 - C_GB1_4 CB_GB1_11 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 38 94 - C_GB1_4 CG2_GB1_11 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 38 96 - C_GB1_4 CB_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 102 - C_GB1_4 CG_GB1_12 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 38 103 - C_GB1_4 CD1_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 38 104 - C_GB1_4 CD2_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 38 105 - C_GB1_4 CB_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 111 - C_GB1_4 CG_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 112 - C_GB1_4 CD_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 113 - C_GB1_4 CE_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 114 - C_GB1_4 CA_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 120 - C_GB1_4 CB_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 126 - C_GB1_4 CG_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 127 - C_GB1_4 CB_GB1_16 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 38 136 - C_GB1_4 CG2_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 38 138 - C_GB1_4 CB_GB1_17 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 38 144 - C_GB1_4 CG2_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 38 146 - C_GB1_4 CB_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 38 152 - C_GB1_4 CG2_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 38 154 - C_GB1_4 CB_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 160 - C_GB1_4 CG_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 161 - C_GB1_4 CB_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 38 170 - C_GB1_4 CB_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 38 176 - C_GB1_4 CG1_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 38 177 - C_GB1_4 CG2_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 38 178 - C_GB1_4 CB_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 184 - C_GB1_4 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 38 193 - C_GB1_4 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 38 199 - C_GB1_4 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 38 205 - C_GB1_4 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 38 207 - C_GB1_4 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 38 213 - C_GB1_4 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 219 - C_GB1_4 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 220 - C_GB1_4 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 229 - C_GB1_4 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 230 - C_GB1_4 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 231 - C_GB1_4 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 232 - C_GB1_4 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 38 239 - C_GB1_4 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 38 240 - C_GB1_4 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 38 241 - C_GB1_4 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 247 - C_GB1_4 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 259 - C_GB1_4 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 260 - C_GB1_4 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 261 - C_GB1_4 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 262 - C_GB1_4 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 269 - C_GB1_4 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 270 - C_GB1_4 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 279 - C_GB1_4 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 38 292 - C_GB1_4 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 298 - C_GB1_4 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 307 - C_GB1_4 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 316 - C_GB1_4 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 324 - C_GB1_4 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 38 330 - C_GB1_4 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 38 331 - C_GB1_4 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 38 332 - C_GB1_4 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 338 - C_GB1_4 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 346 - C_GB1_4 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 352 - C_GB1_4 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 353 - C_GB1_4 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 362 - C_GB1_4 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 38 377 - C_GB1_4 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 38 379 - C_GB1_4 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 385 - C_GB1_4 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 398 - C_GB1_4 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 407 - C_GB1_4 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 38 416 - C_GB1_4 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 38 422 - C_GB1_4 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 38 424 - C_GB1_4 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 430 - C_GB1_4 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 431 - C_GB1_4 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 432 - C_GB1_4 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 433 - C_GB1_4 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 38 440 - C_GB1_4 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 38 442 - C_GB1_4 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 448 - C_GB1_4 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 38 460 - C_GB1_4 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 38 462 - C_GB1_4 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 38 468 - C_GB1_4 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 38 469 - C_GB1_4 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 38 470 - C_GB1_4 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 38 476 - C_GB1_4 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 38 478 - C_GB1_4 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 484 - C_GB1_4 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 38 485 + NZ_GB1_4 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 37 440 + NZ_GB1_4 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 37 442 + NZ_GB1_4 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 448 + NZ_GB1_4 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 37 460 + NZ_GB1_4 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 37 462 + NZ_GB1_4 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 37 468 + NZ_GB1_4 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 37 469 + NZ_GB1_4 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 37 470 + NZ_GB1_4 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 37 476 + NZ_GB1_4 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 37 478 + NZ_GB1_4 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 484 + NZ_GB1_4 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 37 485 + C_GB1_4 CB_GB1_5 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 43 + C_GB1_4 CG_GB1_5 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 38 44 + C_GB1_4 CD1_GB1_5 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 38 45 + C_GB1_4 CD2_GB1_5 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 38 46 + C_GB1_4 CB_GB1_6 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 38 52 + C_GB1_4 CG1_GB1_6 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 53 + C_GB1_4 CG2_GB1_6 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 38 54 + C_GB1_4 CD_GB1_6 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 38 55 + C_GB1_4 CB_GB1_7 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 61 + C_GB1_4 CG_GB1_7 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 38 62 + C_GB1_4 CD1_GB1_7 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 38 63 + C_GB1_4 CD2_GB1_7 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 38 64 + C_GB1_4 CB_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 70 + C_GB1_4 CA_GB1_9 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 78 + C_GB1_4 CB_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 84 + C_GB1_4 CG_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 85 + C_GB1_4 CD_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 86 + C_GB1_4 CE_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 87 + C_GB1_4 CB_GB1_11 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 38 94 + C_GB1_4 CG2_GB1_11 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 38 96 + C_GB1_4 CB_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 102 + C_GB1_4 CG_GB1_12 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 38 103 + C_GB1_4 CD1_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 38 104 + C_GB1_4 CD2_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 38 105 + C_GB1_4 CB_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 111 + C_GB1_4 CG_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 112 + C_GB1_4 CD_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 113 + C_GB1_4 CE_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 114 + C_GB1_4 CA_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 120 + C_GB1_4 CB_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 126 + C_GB1_4 CG_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 127 + C_GB1_4 CB_GB1_16 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 38 136 + C_GB1_4 CG2_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 38 138 + C_GB1_4 CB_GB1_17 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 38 144 + C_GB1_4 CG2_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 38 146 + C_GB1_4 CB_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 38 152 + C_GB1_4 CG2_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 38 154 + C_GB1_4 CB_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 160 + C_GB1_4 CG_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 161 + C_GB1_4 CB_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 38 170 + C_GB1_4 CB_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 38 176 + C_GB1_4 CG1_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 38 177 + C_GB1_4 CG2_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 38 178 + C_GB1_4 CB_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 184 + C_GB1_4 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 38 193 + C_GB1_4 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 38 199 + C_GB1_4 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 38 205 + C_GB1_4 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 38 207 + C_GB1_4 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 38 213 + C_GB1_4 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 219 + C_GB1_4 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 220 + C_GB1_4 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 229 + C_GB1_4 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 230 + C_GB1_4 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 231 + C_GB1_4 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 232 + C_GB1_4 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 38 239 + C_GB1_4 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 38 240 + C_GB1_4 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 38 241 + C_GB1_4 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 247 + C_GB1_4 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 259 + C_GB1_4 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 260 + C_GB1_4 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 261 + C_GB1_4 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 262 + C_GB1_4 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 269 + C_GB1_4 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 270 + C_GB1_4 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 279 + C_GB1_4 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 38 292 + C_GB1_4 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 298 + C_GB1_4 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 307 + C_GB1_4 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 316 + C_GB1_4 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 324 + C_GB1_4 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 38 330 + C_GB1_4 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 38 331 + C_GB1_4 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 38 332 + C_GB1_4 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 338 + C_GB1_4 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 346 + C_GB1_4 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 352 + C_GB1_4 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 353 + C_GB1_4 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 362 + C_GB1_4 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 38 377 + C_GB1_4 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 38 379 + C_GB1_4 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 385 + C_GB1_4 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 398 + C_GB1_4 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 407 + C_GB1_4 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 38 416 + C_GB1_4 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 38 422 + C_GB1_4 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 38 424 + C_GB1_4 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 430 + C_GB1_4 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 431 + C_GB1_4 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 432 + C_GB1_4 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 433 + C_GB1_4 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 38 440 + C_GB1_4 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 38 442 + C_GB1_4 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 448 + C_GB1_4 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 38 460 + C_GB1_4 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 38 462 + C_GB1_4 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 38 468 + C_GB1_4 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 38 469 + C_GB1_4 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 38 470 + C_GB1_4 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 38 476 + C_GB1_4 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 38 478 + C_GB1_4 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 484 + C_GB1_4 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 38 485 O_GB1_4 O_GB1_4 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 39 39 O_GB1_4 H_GB1_5 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 39 41 O_GB1_4 CB_GB1_5 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 39 43 @@ -5568,109 +5568,109 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573658e-04 5.159165e-08 O_GB1_4 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 39 488 O_GB1_4 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 39 490 O_GB1_4 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 39 491 - N_GB1_5 CB_GB1_5 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 43 - N_GB1_5 CG_GB1_5 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 40 44 - N_GB1_5 CD1_GB1_5 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 40 45 - N_GB1_5 CD2_GB1_5 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 40 46 - N_GB1_5 CB_GB1_6 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 40 52 - N_GB1_5 CG1_GB1_6 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 53 - N_GB1_5 CG2_GB1_6 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 40 54 - N_GB1_5 CD_GB1_6 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 40 55 - N_GB1_5 CB_GB1_7 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 61 - N_GB1_5 CG_GB1_7 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 40 62 - N_GB1_5 CD1_GB1_7 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 40 63 - N_GB1_5 CD2_GB1_7 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 40 64 - N_GB1_5 CB_GB1_8 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 70 - N_GB1_5 CA_GB1_9 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 78 - N_GB1_5 CB_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 84 - N_GB1_5 CG_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 85 - N_GB1_5 CD_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 86 - N_GB1_5 CE_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 87 - N_GB1_5 CB_GB1_11 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 40 94 - N_GB1_5 CG2_GB1_11 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 40 96 - N_GB1_5 CB_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 102 - N_GB1_5 CG_GB1_12 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 40 103 - N_GB1_5 CD1_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 40 104 - N_GB1_5 CD2_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 40 105 - N_GB1_5 CB_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 111 - N_GB1_5 CG_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 112 - N_GB1_5 CD_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 113 - N_GB1_5 CE_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 114 - N_GB1_5 CA_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 120 - N_GB1_5 CB_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 126 - N_GB1_5 CG_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 127 - N_GB1_5 CB_GB1_16 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 40 136 - N_GB1_5 CG2_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 40 138 - N_GB1_5 CB_GB1_17 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 40 144 - N_GB1_5 CG2_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 40 146 - N_GB1_5 CB_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 40 152 - N_GB1_5 CG2_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 40 154 - N_GB1_5 CB_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 160 - N_GB1_5 CG_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 161 - N_GB1_5 CB_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 40 170 - N_GB1_5 CB_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 40 176 - N_GB1_5 CG1_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 40 177 - N_GB1_5 CG2_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 40 178 - N_GB1_5 CB_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 184 - N_GB1_5 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 40 193 - N_GB1_5 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 40 199 - N_GB1_5 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 40 205 - N_GB1_5 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 40 207 - N_GB1_5 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 40 213 - N_GB1_5 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 219 - N_GB1_5 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 220 - N_GB1_5 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 229 - N_GB1_5 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 230 - N_GB1_5 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 231 - N_GB1_5 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 232 - N_GB1_5 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 40 239 - N_GB1_5 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 40 240 - N_GB1_5 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 40 241 - N_GB1_5 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 247 - N_GB1_5 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 259 - N_GB1_5 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 260 - N_GB1_5 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 261 - N_GB1_5 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 262 - N_GB1_5 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 269 - N_GB1_5 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 270 - N_GB1_5 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 279 - N_GB1_5 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 40 292 - N_GB1_5 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 298 - N_GB1_5 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 307 - N_GB1_5 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 316 - N_GB1_5 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 324 - N_GB1_5 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 40 330 - N_GB1_5 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 40 331 - N_GB1_5 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 40 332 - N_GB1_5 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 338 - N_GB1_5 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 346 - N_GB1_5 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 352 - N_GB1_5 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 353 - N_GB1_5 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 362 - N_GB1_5 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 40 377 - N_GB1_5 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 40 379 - N_GB1_5 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 385 - N_GB1_5 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 398 - N_GB1_5 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 407 - N_GB1_5 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 40 416 - N_GB1_5 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 40 422 - N_GB1_5 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 40 424 - N_GB1_5 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 430 - N_GB1_5 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 431 - N_GB1_5 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 432 - N_GB1_5 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 433 - N_GB1_5 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 40 440 - N_GB1_5 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 40 442 - N_GB1_5 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 448 - N_GB1_5 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 40 460 - N_GB1_5 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 40 462 - N_GB1_5 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 40 468 - N_GB1_5 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 40 469 - N_GB1_5 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 40 470 - N_GB1_5 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 40 476 - N_GB1_5 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 40 478 - N_GB1_5 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 484 - N_GB1_5 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 40 485 + N_GB1_5 CB_GB1_5 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 43 + N_GB1_5 CG_GB1_5 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 40 44 + N_GB1_5 CD1_GB1_5 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 40 45 + N_GB1_5 CD2_GB1_5 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 40 46 + N_GB1_5 CB_GB1_6 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 40 52 + N_GB1_5 CG1_GB1_6 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 53 + N_GB1_5 CG2_GB1_6 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 40 54 + N_GB1_5 CD_GB1_6 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 40 55 + N_GB1_5 CB_GB1_7 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 61 + N_GB1_5 CG_GB1_7 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 40 62 + N_GB1_5 CD1_GB1_7 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 40 63 + N_GB1_5 CD2_GB1_7 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 40 64 + N_GB1_5 CB_GB1_8 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 70 + N_GB1_5 CA_GB1_9 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 78 + N_GB1_5 CB_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 84 + N_GB1_5 CG_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 85 + N_GB1_5 CD_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 86 + N_GB1_5 CE_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 87 + N_GB1_5 CB_GB1_11 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 40 94 + N_GB1_5 CG2_GB1_11 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 40 96 + N_GB1_5 CB_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 102 + N_GB1_5 CG_GB1_12 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 40 103 + N_GB1_5 CD1_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 40 104 + N_GB1_5 CD2_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 40 105 + N_GB1_5 CB_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 111 + N_GB1_5 CG_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 112 + N_GB1_5 CD_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 113 + N_GB1_5 CE_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 114 + N_GB1_5 CA_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 120 + N_GB1_5 CB_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 126 + N_GB1_5 CG_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 127 + N_GB1_5 CB_GB1_16 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 40 136 + N_GB1_5 CG2_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 40 138 + N_GB1_5 CB_GB1_17 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 40 144 + N_GB1_5 CG2_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 40 146 + N_GB1_5 CB_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 40 152 + N_GB1_5 CG2_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 40 154 + N_GB1_5 CB_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 160 + N_GB1_5 CG_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 161 + N_GB1_5 CB_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 40 170 + N_GB1_5 CB_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 40 176 + N_GB1_5 CG1_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 40 177 + N_GB1_5 CG2_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 40 178 + N_GB1_5 CB_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 184 + N_GB1_5 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 40 193 + N_GB1_5 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 40 199 + N_GB1_5 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 40 205 + N_GB1_5 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 40 207 + N_GB1_5 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 40 213 + N_GB1_5 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 219 + N_GB1_5 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 220 + N_GB1_5 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 229 + N_GB1_5 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 230 + N_GB1_5 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 231 + N_GB1_5 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 232 + N_GB1_5 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 40 239 + N_GB1_5 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 40 240 + N_GB1_5 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 40 241 + N_GB1_5 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 247 + N_GB1_5 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 259 + N_GB1_5 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 260 + N_GB1_5 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 261 + N_GB1_5 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 262 + N_GB1_5 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 269 + N_GB1_5 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 270 + N_GB1_5 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 279 + N_GB1_5 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 40 292 + N_GB1_5 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 298 + N_GB1_5 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 307 + N_GB1_5 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 316 + N_GB1_5 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 324 + N_GB1_5 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 40 330 + N_GB1_5 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 40 331 + N_GB1_5 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 40 332 + N_GB1_5 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 338 + N_GB1_5 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 346 + N_GB1_5 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 352 + N_GB1_5 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 353 + N_GB1_5 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 362 + N_GB1_5 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 40 377 + N_GB1_5 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 40 379 + N_GB1_5 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 385 + N_GB1_5 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 398 + N_GB1_5 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 407 + N_GB1_5 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 40 416 + N_GB1_5 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 40 422 + N_GB1_5 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 40 424 + N_GB1_5 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 430 + N_GB1_5 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 431 + N_GB1_5 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 432 + N_GB1_5 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 433 + N_GB1_5 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 40 440 + N_GB1_5 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 40 442 + N_GB1_5 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 448 + N_GB1_5 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 40 460 + N_GB1_5 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 40 462 + N_GB1_5 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 40 468 + N_GB1_5 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 40 469 + N_GB1_5 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 40 470 + N_GB1_5 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 40 476 + N_GB1_5 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 40 478 + N_GB1_5 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 484 + N_GB1_5 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 40 485 H_GB1_5 H_GB1_5 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 41 41 H_GB1_5 O_GB1_5 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 41 48 H_GB1_5 H_GB1_6 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 41 50 @@ -5812,969 +5812,969 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573658e-04 5.159165e-08 H_GB1_5 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 41 488 H_GB1_5 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 41 490 H_GB1_5 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 41 491 - CB_GB1_5 C_GB1_5 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 47 + CB_GB1_5 C_GB1_5 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 47 CB_GB1_5 O_GB1_5 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 48 - CB_GB1_5 N_GB1_6 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 49 - CB_GB1_5 C_GB1_6 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 56 + CB_GB1_5 N_GB1_6 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 49 + CB_GB1_5 C_GB1_6 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 56 CB_GB1_5 O_GB1_6 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 57 - CB_GB1_5 N_GB1_7 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 58 - CB_GB1_5 C_GB1_7 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 65 + CB_GB1_5 N_GB1_7 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 58 + CB_GB1_5 C_GB1_7 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 65 CB_GB1_5 O_GB1_7 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 66 - CB_GB1_5 N_GB1_8 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 67 - CB_GB1_5 CG_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 71 + CB_GB1_5 N_GB1_8 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 67 + CB_GB1_5 CG_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 71 CB_GB1_5 OD1_GB1_8 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 72 - CB_GB1_5 ND2_GB1_8 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 43 73 - CB_GB1_5 C_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 74 + CB_GB1_5 ND2_GB1_8 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 43 73 + CB_GB1_5 C_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 74 CB_GB1_5 O_GB1_8 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 75 - CB_GB1_5 N_GB1_9 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 76 - CB_GB1_5 C_GB1_9 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 79 + CB_GB1_5 N_GB1_9 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 76 + CB_GB1_5 C_GB1_9 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 79 CB_GB1_5 O_GB1_9 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 80 - CB_GB1_5 N_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 81 - CB_GB1_5 NZ_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 88 - CB_GB1_5 C_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 89 + CB_GB1_5 N_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 81 + CB_GB1_5 NZ_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 88 + CB_GB1_5 C_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 89 CB_GB1_5 O_GB1_10 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 90 - CB_GB1_5 N_GB1_11 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 91 - CB_GB1_5 OG1_GB1_11 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 43 95 - CB_GB1_5 C_GB1_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 97 + CB_GB1_5 N_GB1_11 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 91 + CB_GB1_5 OG1_GB1_11 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 43 95 + CB_GB1_5 C_GB1_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 97 CB_GB1_5 O_GB1_11 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 98 - CB_GB1_5 N_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 99 - CB_GB1_5 C_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 106 + CB_GB1_5 N_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 99 + CB_GB1_5 C_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 106 CB_GB1_5 O_GB1_12 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 107 - CB_GB1_5 N_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 108 - CB_GB1_5 NZ_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 115 - CB_GB1_5 C_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 116 + CB_GB1_5 N_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 108 + CB_GB1_5 NZ_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 115 + CB_GB1_5 C_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 116 CB_GB1_5 O_GB1_13 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 117 - CB_GB1_5 N_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 118 - CB_GB1_5 C_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 121 + CB_GB1_5 N_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 118 + CB_GB1_5 C_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 121 CB_GB1_5 O_GB1_14 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 122 - CB_GB1_5 N_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 123 - CB_GB1_5 CD_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 128 - CB_GB1_5 OE1_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 43 129 - CB_GB1_5 OE2_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 43 130 - CB_GB1_5 C_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 131 + CB_GB1_5 N_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 123 + CB_GB1_5 CD_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 128 + CB_GB1_5 OE1_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 43 129 + CB_GB1_5 OE2_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 43 130 + CB_GB1_5 C_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 131 CB_GB1_5 O_GB1_15 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 132 - CB_GB1_5 N_GB1_16 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 133 - CB_GB1_5 OG1_GB1_16 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 43 137 - CB_GB1_5 C_GB1_16 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 139 + CB_GB1_5 N_GB1_16 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 133 + CB_GB1_5 OG1_GB1_16 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 43 137 + CB_GB1_5 C_GB1_16 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 139 CB_GB1_5 O_GB1_16 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 140 - CB_GB1_5 N_GB1_17 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 141 - CB_GB1_5 OG1_GB1_17 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 43 145 - CB_GB1_5 C_GB1_17 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 147 + CB_GB1_5 N_GB1_17 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 141 + CB_GB1_5 OG1_GB1_17 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 43 145 + CB_GB1_5 C_GB1_17 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 147 CB_GB1_5 O_GB1_17 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 148 - CB_GB1_5 N_GB1_18 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 149 - CB_GB1_5 OG1_GB1_18 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 43 153 - CB_GB1_5 C_GB1_18 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 155 + CB_GB1_5 N_GB1_18 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 149 + CB_GB1_5 OG1_GB1_18 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 43 153 + CB_GB1_5 C_GB1_18 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 155 CB_GB1_5 O_GB1_18 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 156 - CB_GB1_5 N_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 157 - CB_GB1_5 CD_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 162 - CB_GB1_5 OE1_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 43 163 - CB_GB1_5 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 43 164 - CB_GB1_5 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 165 + CB_GB1_5 N_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 157 + CB_GB1_5 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 162 + CB_GB1_5 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 43 163 + CB_GB1_5 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 43 164 + CB_GB1_5 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 165 CB_GB1_5 O_GB1_19 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 166 - CB_GB1_5 N_GB1_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 167 - CB_GB1_5 C_GB1_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 171 + CB_GB1_5 N_GB1_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 167 + CB_GB1_5 C_GB1_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 171 CB_GB1_5 O_GB1_20 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 172 - CB_GB1_5 N_GB1_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 173 - CB_GB1_5 C_GB1_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 179 + CB_GB1_5 N_GB1_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 173 + CB_GB1_5 C_GB1_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 179 CB_GB1_5 O_GB1_21 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 180 - CB_GB1_5 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 181 - CB_GB1_5 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 185 - CB_GB1_5 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 43 186 - CB_GB1_5 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 43 187 - CB_GB1_5 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 188 + CB_GB1_5 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 181 + CB_GB1_5 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 185 + CB_GB1_5 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 43 186 + CB_GB1_5 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 43 187 + CB_GB1_5 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 188 CB_GB1_5 O_GB1_22 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 189 - CB_GB1_5 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 190 - CB_GB1_5 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 194 + CB_GB1_5 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 190 + CB_GB1_5 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 194 CB_GB1_5 O_GB1_23 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 195 - CB_GB1_5 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 196 - CB_GB1_5 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 200 + CB_GB1_5 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 196 + CB_GB1_5 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 200 CB_GB1_5 O_GB1_24 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 201 - CB_GB1_5 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 202 - CB_GB1_5 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 43 206 - CB_GB1_5 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 208 + CB_GB1_5 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 202 + CB_GB1_5 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 43 206 + CB_GB1_5 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 208 CB_GB1_5 O_GB1_25 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 209 - CB_GB1_5 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 210 - CB_GB1_5 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 214 + CB_GB1_5 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 210 + CB_GB1_5 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 214 CB_GB1_5 O_GB1_26 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 215 - CB_GB1_5 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 216 - CB_GB1_5 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 221 - CB_GB1_5 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 43 222 - CB_GB1_5 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 43 223 - CB_GB1_5 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 224 + CB_GB1_5 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 216 + CB_GB1_5 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 221 + CB_GB1_5 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 43 222 + CB_GB1_5 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 43 223 + CB_GB1_5 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 224 CB_GB1_5 O_GB1_27 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 225 - CB_GB1_5 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 226 - CB_GB1_5 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 233 - CB_GB1_5 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 234 + CB_GB1_5 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 226 + CB_GB1_5 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 233 + CB_GB1_5 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 234 CB_GB1_5 O_GB1_28 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 235 - CB_GB1_5 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 236 - CB_GB1_5 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 242 + CB_GB1_5 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 236 + CB_GB1_5 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 242 CB_GB1_5 O_GB1_29 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 243 - CB_GB1_5 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 244 - CB_GB1_5 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 254 + CB_GB1_5 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 244 + CB_GB1_5 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 254 CB_GB1_5 O_GB1_30 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 255 - CB_GB1_5 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 256 - CB_GB1_5 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 263 - CB_GB1_5 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 264 + CB_GB1_5 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 256 + CB_GB1_5 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 263 + CB_GB1_5 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 264 CB_GB1_5 O_GB1_31 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 265 - CB_GB1_5 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 266 - CB_GB1_5 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 271 + CB_GB1_5 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 266 + CB_GB1_5 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 271 CB_GB1_5 OE1_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 272 - CB_GB1_5 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 43 273 - CB_GB1_5 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 274 + CB_GB1_5 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 43 273 + CB_GB1_5 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 274 CB_GB1_5 O_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 275 - CB_GB1_5 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 276 - CB_GB1_5 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 43 286 - CB_GB1_5 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 287 + CB_GB1_5 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 276 + CB_GB1_5 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 43 286 + CB_GB1_5 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 287 CB_GB1_5 O_GB1_33 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 288 - CB_GB1_5 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 289 - CB_GB1_5 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 293 + CB_GB1_5 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 289 + CB_GB1_5 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 293 CB_GB1_5 O_GB1_34 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 294 - CB_GB1_5 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 295 - CB_GB1_5 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 299 + CB_GB1_5 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 295 + CB_GB1_5 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 299 CB_GB1_5 OD1_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 300 - CB_GB1_5 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 43 301 - CB_GB1_5 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 302 + CB_GB1_5 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 43 301 + CB_GB1_5 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 302 CB_GB1_5 O_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 303 - CB_GB1_5 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 304 - CB_GB1_5 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 308 - CB_GB1_5 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 43 309 - CB_GB1_5 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 43 310 - CB_GB1_5 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 311 + CB_GB1_5 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 304 + CB_GB1_5 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 308 + CB_GB1_5 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 43 309 + CB_GB1_5 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 43 310 + CB_GB1_5 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 311 CB_GB1_5 O_GB1_36 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 312 - CB_GB1_5 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 313 - CB_GB1_5 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 317 + CB_GB1_5 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 313 + CB_GB1_5 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 317 CB_GB1_5 OD1_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 318 - CB_GB1_5 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 43 319 - CB_GB1_5 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 320 + CB_GB1_5 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 43 319 + CB_GB1_5 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 320 CB_GB1_5 O_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 321 - CB_GB1_5 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 322 - CB_GB1_5 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 325 + CB_GB1_5 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 322 + CB_GB1_5 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 325 CB_GB1_5 O_GB1_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 326 - CB_GB1_5 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 327 - CB_GB1_5 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 333 + CB_GB1_5 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 327 + CB_GB1_5 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 333 CB_GB1_5 O_GB1_39 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 334 - CB_GB1_5 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 335 - CB_GB1_5 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 339 - CB_GB1_5 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 43 340 - CB_GB1_5 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 43 341 - CB_GB1_5 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 342 + CB_GB1_5 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 335 + CB_GB1_5 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 339 + CB_GB1_5 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 43 340 + CB_GB1_5 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 43 341 + CB_GB1_5 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 342 CB_GB1_5 O_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 343 - CB_GB1_5 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 344 - CB_GB1_5 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 347 + CB_GB1_5 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 344 + CB_GB1_5 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 347 CB_GB1_5 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 348 - CB_GB1_5 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 349 - CB_GB1_5 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 354 - CB_GB1_5 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 43 355 - CB_GB1_5 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 43 356 - CB_GB1_5 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 357 + CB_GB1_5 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 349 + CB_GB1_5 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 354 + CB_GB1_5 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 43 355 + CB_GB1_5 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 43 356 + CB_GB1_5 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 357 CB_GB1_5 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 358 - CB_GB1_5 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 359 - CB_GB1_5 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 43 366 - CB_GB1_5 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 372 + CB_GB1_5 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 359 + CB_GB1_5 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 43 366 + CB_GB1_5 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 372 CB_GB1_5 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 373 - CB_GB1_5 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 374 - CB_GB1_5 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 43 378 - CB_GB1_5 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 380 + CB_GB1_5 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 374 + CB_GB1_5 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 43 378 + CB_GB1_5 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 380 CB_GB1_5 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 381 - CB_GB1_5 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 382 - CB_GB1_5 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 43 392 - CB_GB1_5 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 393 + CB_GB1_5 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 382 + CB_GB1_5 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 43 392 + CB_GB1_5 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 393 CB_GB1_5 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 394 - CB_GB1_5 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 395 - CB_GB1_5 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 399 - CB_GB1_5 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 43 400 - CB_GB1_5 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 43 401 - CB_GB1_5 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 402 + CB_GB1_5 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 395 + CB_GB1_5 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 399 + CB_GB1_5 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 43 400 + CB_GB1_5 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 43 401 + CB_GB1_5 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 402 CB_GB1_5 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 403 - CB_GB1_5 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 404 - CB_GB1_5 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 408 - CB_GB1_5 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 43 409 - CB_GB1_5 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 43 410 - CB_GB1_5 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 411 + CB_GB1_5 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 404 + CB_GB1_5 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 408 + CB_GB1_5 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 43 409 + CB_GB1_5 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 43 410 + CB_GB1_5 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 411 CB_GB1_5 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 412 - CB_GB1_5 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 413 - CB_GB1_5 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 417 + CB_GB1_5 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 413 + CB_GB1_5 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 417 CB_GB1_5 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 418 - CB_GB1_5 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 419 - CB_GB1_5 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 43 423 - CB_GB1_5 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 425 + CB_GB1_5 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 419 + CB_GB1_5 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 43 423 + CB_GB1_5 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 425 CB_GB1_5 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 426 - CB_GB1_5 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 427 - CB_GB1_5 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 434 - CB_GB1_5 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 435 + CB_GB1_5 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 427 + CB_GB1_5 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 434 + CB_GB1_5 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 435 CB_GB1_5 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 436 - CB_GB1_5 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 437 - CB_GB1_5 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 43 441 - CB_GB1_5 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 443 + CB_GB1_5 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 437 + CB_GB1_5 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 43 441 + CB_GB1_5 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 443 CB_GB1_5 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 444 - CB_GB1_5 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 445 - CB_GB1_5 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 455 + CB_GB1_5 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 445 + CB_GB1_5 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 455 CB_GB1_5 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 456 - CB_GB1_5 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 457 - CB_GB1_5 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 43 461 - CB_GB1_5 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 463 + CB_GB1_5 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 457 + CB_GB1_5 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 43 461 + CB_GB1_5 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 463 CB_GB1_5 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 464 - CB_GB1_5 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 465 - CB_GB1_5 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 471 + CB_GB1_5 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 465 + CB_GB1_5 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 471 CB_GB1_5 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 472 - CB_GB1_5 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 473 - CB_GB1_5 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 43 477 - CB_GB1_5 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 479 + CB_GB1_5 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 473 + CB_GB1_5 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 43 477 + CB_GB1_5 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 479 CB_GB1_5 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 43 480 - CB_GB1_5 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 43 481 - CB_GB1_5 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 486 - CB_GB1_5 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 43 487 - CB_GB1_5 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 43 488 - CB_GB1_5 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 43 489 - CB_GB1_5 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 43 490 - CB_GB1_5 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 43 491 - CG_GB1_5 C_GB1_5 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 47 + CB_GB1_5 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 43 481 + CB_GB1_5 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 486 + CB_GB1_5 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 43 487 + CB_GB1_5 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 43 488 + CB_GB1_5 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 43 489 + CB_GB1_5 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 43 490 + CB_GB1_5 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 43 491 + CG_GB1_5 C_GB1_5 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 47 CG_GB1_5 O_GB1_5 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 48 - CG_GB1_5 N_GB1_6 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 49 - CG_GB1_5 C_GB1_6 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 56 + CG_GB1_5 N_GB1_6 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 49 + CG_GB1_5 C_GB1_6 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 56 CG_GB1_5 O_GB1_6 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 57 - CG_GB1_5 N_GB1_7 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 58 - CG_GB1_5 C_GB1_7 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 65 + CG_GB1_5 N_GB1_7 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 58 + CG_GB1_5 C_GB1_7 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 65 CG_GB1_5 O_GB1_7 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 66 - CG_GB1_5 N_GB1_8 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 67 - CG_GB1_5 CG_GB1_8 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 71 + CG_GB1_5 N_GB1_8 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 67 + CG_GB1_5 CG_GB1_8 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 71 CG_GB1_5 OD1_GB1_8 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 72 - CG_GB1_5 ND2_GB1_8 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 44 73 - CG_GB1_5 C_GB1_8 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 74 + CG_GB1_5 ND2_GB1_8 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 44 73 + CG_GB1_5 C_GB1_8 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 74 CG_GB1_5 O_GB1_8 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 75 - CG_GB1_5 N_GB1_9 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 76 - CG_GB1_5 C_GB1_9 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 79 + CG_GB1_5 N_GB1_9 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 76 + CG_GB1_5 C_GB1_9 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 79 CG_GB1_5 O_GB1_9 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 80 - CG_GB1_5 N_GB1_10 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 81 - CG_GB1_5 NZ_GB1_10 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 88 - CG_GB1_5 C_GB1_10 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 89 + CG_GB1_5 N_GB1_10 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 81 + CG_GB1_5 NZ_GB1_10 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 88 + CG_GB1_5 C_GB1_10 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 89 CG_GB1_5 O_GB1_10 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 90 - CG_GB1_5 N_GB1_11 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 91 - CG_GB1_5 OG1_GB1_11 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 44 95 - CG_GB1_5 C_GB1_11 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 97 + CG_GB1_5 N_GB1_11 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 91 + CG_GB1_5 OG1_GB1_11 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 44 95 + CG_GB1_5 C_GB1_11 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 97 CG_GB1_5 O_GB1_11 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 98 - CG_GB1_5 N_GB1_12 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 99 - CG_GB1_5 C_GB1_12 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 106 + CG_GB1_5 N_GB1_12 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 99 + CG_GB1_5 C_GB1_12 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 106 CG_GB1_5 O_GB1_12 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 107 - CG_GB1_5 N_GB1_13 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 108 - CG_GB1_5 NZ_GB1_13 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 115 - CG_GB1_5 C_GB1_13 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 116 + CG_GB1_5 N_GB1_13 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 108 + CG_GB1_5 NZ_GB1_13 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 115 + CG_GB1_5 C_GB1_13 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 116 CG_GB1_5 O_GB1_13 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 117 - CG_GB1_5 N_GB1_14 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 118 - CG_GB1_5 C_GB1_14 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 121 + CG_GB1_5 N_GB1_14 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 118 + CG_GB1_5 C_GB1_14 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 121 CG_GB1_5 O_GB1_14 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 122 - CG_GB1_5 N_GB1_15 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 123 - CG_GB1_5 CD_GB1_15 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 128 - CG_GB1_5 OE1_GB1_15 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 44 129 - CG_GB1_5 OE2_GB1_15 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 44 130 - CG_GB1_5 C_GB1_15 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 131 + CG_GB1_5 N_GB1_15 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 123 + CG_GB1_5 CD_GB1_15 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 128 + CG_GB1_5 OE1_GB1_15 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 44 129 + CG_GB1_5 OE2_GB1_15 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 44 130 + CG_GB1_5 C_GB1_15 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 131 CG_GB1_5 O_GB1_15 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 132 - CG_GB1_5 N_GB1_16 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 133 - CG_GB1_5 OG1_GB1_16 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 44 137 - CG_GB1_5 C_GB1_16 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 139 + CG_GB1_5 N_GB1_16 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 133 + CG_GB1_5 OG1_GB1_16 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 44 137 + CG_GB1_5 C_GB1_16 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 139 CG_GB1_5 O_GB1_16 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 140 - CG_GB1_5 N_GB1_17 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 141 - CG_GB1_5 OG1_GB1_17 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 44 145 - CG_GB1_5 C_GB1_17 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 147 + CG_GB1_5 N_GB1_17 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 141 + CG_GB1_5 OG1_GB1_17 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 44 145 + CG_GB1_5 C_GB1_17 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 147 CG_GB1_5 O_GB1_17 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 148 - CG_GB1_5 N_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 149 - CG_GB1_5 OG1_GB1_18 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 44 153 - CG_GB1_5 C_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 155 + CG_GB1_5 N_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 149 + CG_GB1_5 OG1_GB1_18 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 44 153 + CG_GB1_5 C_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 155 CG_GB1_5 O_GB1_18 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 156 - CG_GB1_5 N_GB1_19 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 157 - CG_GB1_5 CD_GB1_19 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 162 - CG_GB1_5 OE1_GB1_19 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 44 163 - CG_GB1_5 OE2_GB1_19 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 44 164 - CG_GB1_5 C_GB1_19 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 165 + CG_GB1_5 N_GB1_19 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 157 + CG_GB1_5 CD_GB1_19 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 162 + CG_GB1_5 OE1_GB1_19 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 44 163 + CG_GB1_5 OE2_GB1_19 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 44 164 + CG_GB1_5 C_GB1_19 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 165 CG_GB1_5 O_GB1_19 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 166 - CG_GB1_5 N_GB1_20 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 167 - CG_GB1_5 C_GB1_20 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 171 + CG_GB1_5 N_GB1_20 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 167 + CG_GB1_5 C_GB1_20 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 171 CG_GB1_5 O_GB1_20 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 172 - CG_GB1_5 N_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 173 - CG_GB1_5 C_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 179 + CG_GB1_5 N_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 173 + CG_GB1_5 C_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 179 CG_GB1_5 O_GB1_21 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 180 - CG_GB1_5 N_GB1_22 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 181 - CG_GB1_5 CG_GB1_22 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 185 - CG_GB1_5 OD1_GB1_22 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 44 186 - CG_GB1_5 OD2_GB1_22 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 44 187 - CG_GB1_5 C_GB1_22 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 188 + CG_GB1_5 N_GB1_22 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 181 + CG_GB1_5 CG_GB1_22 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 185 + CG_GB1_5 OD1_GB1_22 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 44 186 + CG_GB1_5 OD2_GB1_22 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 44 187 + CG_GB1_5 C_GB1_22 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 188 CG_GB1_5 O_GB1_22 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 189 - CG_GB1_5 N_GB1_23 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 190 - CG_GB1_5 C_GB1_23 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 194 + CG_GB1_5 N_GB1_23 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 190 + CG_GB1_5 C_GB1_23 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 194 CG_GB1_5 O_GB1_23 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 195 - CG_GB1_5 N_GB1_24 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 196 - CG_GB1_5 C_GB1_24 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 200 + CG_GB1_5 N_GB1_24 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 196 + CG_GB1_5 C_GB1_24 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 200 CG_GB1_5 O_GB1_24 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 201 - CG_GB1_5 N_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 202 - CG_GB1_5 OG1_GB1_25 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 44 206 - CG_GB1_5 C_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 208 + CG_GB1_5 N_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 202 + CG_GB1_5 OG1_GB1_25 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 44 206 + CG_GB1_5 C_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 208 CG_GB1_5 O_GB1_25 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 209 - CG_GB1_5 N_GB1_26 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 210 - CG_GB1_5 C_GB1_26 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 214 + CG_GB1_5 N_GB1_26 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 210 + CG_GB1_5 C_GB1_26 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 214 CG_GB1_5 O_GB1_26 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 215 - CG_GB1_5 N_GB1_27 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 216 - CG_GB1_5 CD_GB1_27 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 221 - CG_GB1_5 OE1_GB1_27 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 44 222 - CG_GB1_5 OE2_GB1_27 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 44 223 - CG_GB1_5 C_GB1_27 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 224 + CG_GB1_5 N_GB1_27 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 216 + CG_GB1_5 CD_GB1_27 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 221 + CG_GB1_5 OE1_GB1_27 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 44 222 + CG_GB1_5 OE2_GB1_27 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 44 223 + CG_GB1_5 C_GB1_27 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 224 CG_GB1_5 O_GB1_27 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 225 - CG_GB1_5 N_GB1_28 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 226 - CG_GB1_5 NZ_GB1_28 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 233 - CG_GB1_5 C_GB1_28 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 234 + CG_GB1_5 N_GB1_28 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 226 + CG_GB1_5 NZ_GB1_28 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 233 + CG_GB1_5 C_GB1_28 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 234 CG_GB1_5 O_GB1_28 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 235 - CG_GB1_5 N_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 236 - CG_GB1_5 C_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 242 + CG_GB1_5 N_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 236 + CG_GB1_5 C_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 242 CG_GB1_5 O_GB1_29 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 243 - CG_GB1_5 N_GB1_30 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 244 - CG_GB1_5 C_GB1_30 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 254 + CG_GB1_5 N_GB1_30 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 244 + CG_GB1_5 C_GB1_30 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 254 CG_GB1_5 O_GB1_30 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 255 - CG_GB1_5 N_GB1_31 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 256 - CG_GB1_5 NZ_GB1_31 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 263 - CG_GB1_5 C_GB1_31 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 264 + CG_GB1_5 N_GB1_31 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 256 + CG_GB1_5 NZ_GB1_31 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 263 + CG_GB1_5 C_GB1_31 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 264 CG_GB1_5 O_GB1_31 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 265 - CG_GB1_5 N_GB1_32 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 266 - CG_GB1_5 CD_GB1_32 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 271 + CG_GB1_5 N_GB1_32 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 266 + CG_GB1_5 CD_GB1_32 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 271 CG_GB1_5 OE1_GB1_32 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 272 - CG_GB1_5 NE2_GB1_32 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 44 273 - CG_GB1_5 C_GB1_32 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 274 + CG_GB1_5 NE2_GB1_32 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 44 273 + CG_GB1_5 C_GB1_32 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 274 CG_GB1_5 O_GB1_32 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 275 - CG_GB1_5 N_GB1_33 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 276 - CG_GB1_5 OH_GB1_33 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 44 286 - CG_GB1_5 C_GB1_33 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 287 + CG_GB1_5 N_GB1_33 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 276 + CG_GB1_5 OH_GB1_33 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 44 286 + CG_GB1_5 C_GB1_33 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 287 CG_GB1_5 O_GB1_33 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 288 - CG_GB1_5 N_GB1_34 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 289 - CG_GB1_5 C_GB1_34 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 293 + CG_GB1_5 N_GB1_34 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 289 + CG_GB1_5 C_GB1_34 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 293 CG_GB1_5 O_GB1_34 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 294 - CG_GB1_5 N_GB1_35 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 295 - CG_GB1_5 CG_GB1_35 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 299 + CG_GB1_5 N_GB1_35 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 295 + CG_GB1_5 CG_GB1_35 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 299 CG_GB1_5 OD1_GB1_35 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 300 - CG_GB1_5 ND2_GB1_35 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 44 301 - CG_GB1_5 C_GB1_35 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 302 + CG_GB1_5 ND2_GB1_35 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 44 301 + CG_GB1_5 C_GB1_35 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 302 CG_GB1_5 O_GB1_35 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 303 - CG_GB1_5 N_GB1_36 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 304 - CG_GB1_5 CG_GB1_36 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 308 - CG_GB1_5 OD1_GB1_36 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 44 309 - CG_GB1_5 OD2_GB1_36 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 44 310 - CG_GB1_5 C_GB1_36 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 311 + CG_GB1_5 N_GB1_36 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 304 + CG_GB1_5 CG_GB1_36 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 308 + CG_GB1_5 OD1_GB1_36 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 44 309 + CG_GB1_5 OD2_GB1_36 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 44 310 + CG_GB1_5 C_GB1_36 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 311 CG_GB1_5 O_GB1_36 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 312 - CG_GB1_5 N_GB1_37 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 313 - CG_GB1_5 CG_GB1_37 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 317 + CG_GB1_5 N_GB1_37 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 313 + CG_GB1_5 CG_GB1_37 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 317 CG_GB1_5 OD1_GB1_37 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 318 - CG_GB1_5 ND2_GB1_37 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 44 319 - CG_GB1_5 C_GB1_37 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 320 + CG_GB1_5 ND2_GB1_37 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 44 319 + CG_GB1_5 C_GB1_37 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 320 CG_GB1_5 O_GB1_37 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 321 - CG_GB1_5 N_GB1_38 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 322 - CG_GB1_5 C_GB1_38 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 325 + CG_GB1_5 N_GB1_38 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 322 + CG_GB1_5 C_GB1_38 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 325 CG_GB1_5 O_GB1_38 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 326 - CG_GB1_5 N_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 327 - CG_GB1_5 C_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 333 + CG_GB1_5 N_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 327 + CG_GB1_5 C_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 333 CG_GB1_5 O_GB1_39 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 334 - CG_GB1_5 N_GB1_40 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 335 - CG_GB1_5 CG_GB1_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 339 - CG_GB1_5 OD1_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 44 340 - CG_GB1_5 OD2_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 44 341 - CG_GB1_5 C_GB1_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 342 + CG_GB1_5 N_GB1_40 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 335 + CG_GB1_5 CG_GB1_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 339 + CG_GB1_5 OD1_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 44 340 + CG_GB1_5 OD2_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 44 341 + CG_GB1_5 C_GB1_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 342 CG_GB1_5 O_GB1_40 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 343 - CG_GB1_5 N_GB1_41 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 344 - CG_GB1_5 C_GB1_41 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 347 + CG_GB1_5 N_GB1_41 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 344 + CG_GB1_5 C_GB1_41 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 347 CG_GB1_5 O_GB1_41 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 348 - CG_GB1_5 N_GB1_42 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 349 - CG_GB1_5 CD_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 354 - CG_GB1_5 OE1_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 44 355 - CG_GB1_5 OE2_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 44 356 - CG_GB1_5 C_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 357 + CG_GB1_5 N_GB1_42 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 349 + CG_GB1_5 CD_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 354 + CG_GB1_5 OE1_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 44 355 + CG_GB1_5 OE2_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 44 356 + CG_GB1_5 C_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 357 CG_GB1_5 O_GB1_42 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 358 - CG_GB1_5 N_GB1_43 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 359 - CG_GB1_5 NE1_GB1_43 1 0.000000e+00 9.937288e-06 ; 8.853117e-06 -9.937288e-06 1.0 1.0 1.0 1.0 False mg 7 44 366 - CG_GB1_5 C_GB1_43 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 372 + CG_GB1_5 N_GB1_43 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 359 + CG_GB1_5 NE1_GB1_43 1 0.000000e+00 9.937231e-06 ; 8.853066e-06 -9.937231e-06 1.0 1.0 1.0 1.0 False mg 7 44 366 + CG_GB1_5 C_GB1_43 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 372 CG_GB1_5 O_GB1_43 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 373 - CG_GB1_5 N_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 374 - CG_GB1_5 OG1_GB1_44 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 44 378 - CG_GB1_5 C_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 380 + CG_GB1_5 N_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 374 + CG_GB1_5 OG1_GB1_44 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 44 378 + CG_GB1_5 C_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 380 CG_GB1_5 O_GB1_44 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 381 - CG_GB1_5 N_GB1_45 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 382 - CG_GB1_5 OH_GB1_45 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 44 392 - CG_GB1_5 C_GB1_45 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 393 + CG_GB1_5 N_GB1_45 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 382 + CG_GB1_5 OH_GB1_45 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 44 392 + CG_GB1_5 C_GB1_45 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 393 CG_GB1_5 O_GB1_45 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 394 - CG_GB1_5 N_GB1_46 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 395 - CG_GB1_5 CG_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 399 - CG_GB1_5 OD1_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 44 400 - CG_GB1_5 OD2_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 44 401 - CG_GB1_5 C_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 402 + CG_GB1_5 N_GB1_46 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 395 + CG_GB1_5 CG_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 399 + CG_GB1_5 OD1_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 44 400 + CG_GB1_5 OD2_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 44 401 + CG_GB1_5 C_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 402 CG_GB1_5 O_GB1_46 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 403 - CG_GB1_5 N_GB1_47 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 404 - CG_GB1_5 CG_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 408 - CG_GB1_5 OD1_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 44 409 - CG_GB1_5 OD2_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 44 410 - CG_GB1_5 C_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 411 + CG_GB1_5 N_GB1_47 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 404 + CG_GB1_5 CG_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 408 + CG_GB1_5 OD1_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 44 409 + CG_GB1_5 OD2_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 44 410 + CG_GB1_5 C_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 411 CG_GB1_5 O_GB1_47 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 412 - CG_GB1_5 N_GB1_48 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 413 - CG_GB1_5 C_GB1_48 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 417 + CG_GB1_5 N_GB1_48 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 413 + CG_GB1_5 C_GB1_48 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 417 CG_GB1_5 O_GB1_48 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 418 - CG_GB1_5 N_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 419 - CG_GB1_5 OG1_GB1_49 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 44 423 - CG_GB1_5 C_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 425 + CG_GB1_5 N_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 419 + CG_GB1_5 OG1_GB1_49 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 44 423 + CG_GB1_5 C_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 425 CG_GB1_5 O_GB1_49 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 426 - CG_GB1_5 N_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 427 - CG_GB1_5 NZ_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 434 - CG_GB1_5 C_GB1_50 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 435 + CG_GB1_5 N_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 427 + CG_GB1_5 NZ_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 434 + CG_GB1_5 C_GB1_50 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 435 CG_GB1_5 O_GB1_50 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 436 - CG_GB1_5 N_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 437 - CG_GB1_5 OG1_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 44 441 - CG_GB1_5 C_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 443 + CG_GB1_5 N_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 437 + CG_GB1_5 OG1_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 44 441 + CG_GB1_5 C_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 443 CG_GB1_5 O_GB1_51 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 444 - CG_GB1_5 N_GB1_52 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 445 - CG_GB1_5 C_GB1_52 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 455 + CG_GB1_5 N_GB1_52 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 445 + CG_GB1_5 C_GB1_52 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 455 CG_GB1_5 O_GB1_52 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 456 - CG_GB1_5 N_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 457 - CG_GB1_5 OG1_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 44 461 - CG_GB1_5 C_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 463 + CG_GB1_5 N_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 457 + CG_GB1_5 OG1_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 44 461 + CG_GB1_5 C_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 463 CG_GB1_5 O_GB1_53 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 464 - CG_GB1_5 N_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 465 - CG_GB1_5 C_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 471 + CG_GB1_5 N_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 465 + CG_GB1_5 C_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 471 CG_GB1_5 O_GB1_54 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 472 - CG_GB1_5 N_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 473 - CG_GB1_5 OG1_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 44 477 - CG_GB1_5 C_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 479 + CG_GB1_5 N_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 473 + CG_GB1_5 OG1_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 44 477 + CG_GB1_5 C_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 479 CG_GB1_5 O_GB1_55 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 44 480 - CG_GB1_5 N_GB1_56 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 44 481 - CG_GB1_5 CD_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 486 - CG_GB1_5 OE1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 44 487 - CG_GB1_5 OE2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 44 488 - CG_GB1_5 C_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 44 489 - CG_GB1_5 O1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 44 490 - CG_GB1_5 O2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 44 491 - CD1_GB1_5 C_GB1_5 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 47 + CG_GB1_5 N_GB1_56 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 44 481 + CG_GB1_5 CD_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 486 + CG_GB1_5 OE1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 44 487 + CG_GB1_5 OE2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 44 488 + CG_GB1_5 C_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 44 489 + CG_GB1_5 O1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 44 490 + CG_GB1_5 O2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 44 491 + CD1_GB1_5 C_GB1_5 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 47 CD1_GB1_5 O_GB1_5 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 48 - CD1_GB1_5 N_GB1_6 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 49 - CD1_GB1_5 C_GB1_6 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 56 + CD1_GB1_5 N_GB1_6 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 49 + CD1_GB1_5 C_GB1_6 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 56 CD1_GB1_5 O_GB1_6 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 57 - CD1_GB1_5 N_GB1_7 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 58 - CD1_GB1_5 C_GB1_7 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 65 + CD1_GB1_5 N_GB1_7 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 58 + CD1_GB1_5 C_GB1_7 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 65 CD1_GB1_5 O_GB1_7 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 66 - CD1_GB1_5 N_GB1_8 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 67 - CD1_GB1_5 CG_GB1_8 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 71 + CD1_GB1_5 N_GB1_8 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 67 + CD1_GB1_5 CG_GB1_8 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 71 CD1_GB1_5 OD1_GB1_8 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 72 - CD1_GB1_5 ND2_GB1_8 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 45 73 - CD1_GB1_5 C_GB1_8 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 74 + CD1_GB1_5 ND2_GB1_8 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 45 73 + CD1_GB1_5 C_GB1_8 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 74 CD1_GB1_5 O_GB1_8 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 75 - CD1_GB1_5 N_GB1_9 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 76 - CD1_GB1_5 C_GB1_9 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 79 + CD1_GB1_5 N_GB1_9 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 76 + CD1_GB1_5 C_GB1_9 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 79 CD1_GB1_5 O_GB1_9 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 80 - CD1_GB1_5 N_GB1_10 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 81 - CD1_GB1_5 NZ_GB1_10 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 88 - CD1_GB1_5 C_GB1_10 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 89 + CD1_GB1_5 N_GB1_10 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 81 + CD1_GB1_5 NZ_GB1_10 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 88 + CD1_GB1_5 C_GB1_10 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 89 CD1_GB1_5 O_GB1_10 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 90 - CD1_GB1_5 N_GB1_11 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 91 - CD1_GB1_5 OG1_GB1_11 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 45 95 - CD1_GB1_5 C_GB1_11 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 97 + CD1_GB1_5 N_GB1_11 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 91 + CD1_GB1_5 OG1_GB1_11 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 45 95 + CD1_GB1_5 C_GB1_11 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 97 CD1_GB1_5 O_GB1_11 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 98 - CD1_GB1_5 N_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 99 - CD1_GB1_5 C_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 106 + CD1_GB1_5 N_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 99 + CD1_GB1_5 C_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 106 CD1_GB1_5 O_GB1_12 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 107 - CD1_GB1_5 N_GB1_13 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 108 - CD1_GB1_5 NZ_GB1_13 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 115 - CD1_GB1_5 C_GB1_13 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 116 + CD1_GB1_5 N_GB1_13 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 108 + CD1_GB1_5 NZ_GB1_13 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 115 + CD1_GB1_5 C_GB1_13 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 116 CD1_GB1_5 O_GB1_13 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 117 - CD1_GB1_5 N_GB1_14 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 118 - CD1_GB1_5 C_GB1_14 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 121 + CD1_GB1_5 N_GB1_14 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 118 + CD1_GB1_5 C_GB1_14 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 121 CD1_GB1_5 O_GB1_14 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 122 - CD1_GB1_5 N_GB1_15 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 123 - CD1_GB1_5 CD_GB1_15 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 128 + CD1_GB1_5 N_GB1_15 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 123 + CD1_GB1_5 CD_GB1_15 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 128 CD1_GB1_5 OE1_GB1_15 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 45 129 CD1_GB1_5 OE2_GB1_15 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 45 130 - CD1_GB1_5 C_GB1_15 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 131 + CD1_GB1_5 C_GB1_15 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 131 CD1_GB1_5 O_GB1_15 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 132 - CD1_GB1_5 N_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 133 - CD1_GB1_5 OG1_GB1_16 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 45 137 - CD1_GB1_5 C_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 139 + CD1_GB1_5 N_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 133 + CD1_GB1_5 OG1_GB1_16 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 45 137 + CD1_GB1_5 C_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 139 CD1_GB1_5 O_GB1_16 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 140 - CD1_GB1_5 N_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 141 - CD1_GB1_5 OG1_GB1_17 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 45 145 - CD1_GB1_5 C_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 147 + CD1_GB1_5 N_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 141 + CD1_GB1_5 OG1_GB1_17 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 45 145 + CD1_GB1_5 C_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 147 CD1_GB1_5 O_GB1_17 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 148 - CD1_GB1_5 N_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 149 - CD1_GB1_5 OG1_GB1_18 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 45 153 - CD1_GB1_5 C_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 155 + CD1_GB1_5 N_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 149 + CD1_GB1_5 OG1_GB1_18 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 45 153 + CD1_GB1_5 C_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 155 CD1_GB1_5 O_GB1_18 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 156 - CD1_GB1_5 N_GB1_19 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 157 - CD1_GB1_5 CD_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 162 + CD1_GB1_5 N_GB1_19 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 157 + CD1_GB1_5 CD_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 162 CD1_GB1_5 OE1_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 45 163 CD1_GB1_5 OE2_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 45 164 - CD1_GB1_5 C_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 165 + CD1_GB1_5 C_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 165 CD1_GB1_5 O_GB1_19 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 166 - CD1_GB1_5 N_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 167 - CD1_GB1_5 C_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 171 + CD1_GB1_5 N_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 167 + CD1_GB1_5 C_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 171 CD1_GB1_5 O_GB1_20 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 172 - CD1_GB1_5 N_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 173 - CD1_GB1_5 C_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 179 + CD1_GB1_5 N_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 173 + CD1_GB1_5 C_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 179 CD1_GB1_5 O_GB1_21 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 180 - CD1_GB1_5 N_GB1_22 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 181 - CD1_GB1_5 CG_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 185 + CD1_GB1_5 N_GB1_22 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 181 + CD1_GB1_5 CG_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 185 CD1_GB1_5 OD1_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 45 186 CD1_GB1_5 OD2_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 45 187 - CD1_GB1_5 C_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 188 + CD1_GB1_5 C_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 188 CD1_GB1_5 O_GB1_22 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 189 - CD1_GB1_5 N_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 190 - CD1_GB1_5 C_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 194 + CD1_GB1_5 N_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 190 + CD1_GB1_5 C_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 194 CD1_GB1_5 O_GB1_23 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 195 - CD1_GB1_5 N_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 196 - CD1_GB1_5 C_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 200 + CD1_GB1_5 N_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 196 + CD1_GB1_5 C_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 200 CD1_GB1_5 O_GB1_24 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 201 - CD1_GB1_5 N_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 202 - CD1_GB1_5 OG1_GB1_25 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 45 206 - CD1_GB1_5 C_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 208 + CD1_GB1_5 N_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 202 + CD1_GB1_5 OG1_GB1_25 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 45 206 + CD1_GB1_5 C_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 208 CD1_GB1_5 O_GB1_25 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 209 - CD1_GB1_5 N_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 210 - CD1_GB1_5 C_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 214 + CD1_GB1_5 N_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 210 + CD1_GB1_5 C_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 214 CD1_GB1_5 O_GB1_26 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 215 - CD1_GB1_5 N_GB1_27 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 216 - CD1_GB1_5 CD_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 221 + CD1_GB1_5 N_GB1_27 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 216 + CD1_GB1_5 CD_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 221 CD1_GB1_5 OE1_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 45 222 CD1_GB1_5 OE2_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 45 223 - CD1_GB1_5 C_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 224 + CD1_GB1_5 C_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 224 CD1_GB1_5 O_GB1_27 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 225 - CD1_GB1_5 N_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 226 - CD1_GB1_5 NZ_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 233 - CD1_GB1_5 C_GB1_28 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 234 + CD1_GB1_5 N_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 226 + CD1_GB1_5 NZ_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 233 + CD1_GB1_5 C_GB1_28 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 234 CD1_GB1_5 O_GB1_28 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 235 - CD1_GB1_5 N_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 236 - CD1_GB1_5 C_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 242 + CD1_GB1_5 N_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 236 + CD1_GB1_5 C_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 242 CD1_GB1_5 O_GB1_29 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 243 - CD1_GB1_5 N_GB1_30 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 244 - CD1_GB1_5 C_GB1_30 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 254 + CD1_GB1_5 N_GB1_30 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 244 + CD1_GB1_5 C_GB1_30 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 254 CD1_GB1_5 O_GB1_30 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 255 - CD1_GB1_5 N_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 256 - CD1_GB1_5 NZ_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 263 - CD1_GB1_5 C_GB1_31 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 264 + CD1_GB1_5 N_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 256 + CD1_GB1_5 NZ_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 263 + CD1_GB1_5 C_GB1_31 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 264 CD1_GB1_5 O_GB1_31 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 265 - CD1_GB1_5 N_GB1_32 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 266 - CD1_GB1_5 CD_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 271 + CD1_GB1_5 N_GB1_32 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 266 + CD1_GB1_5 CD_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 271 CD1_GB1_5 OE1_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 272 - CD1_GB1_5 NE2_GB1_32 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 45 273 - CD1_GB1_5 C_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 274 + CD1_GB1_5 NE2_GB1_32 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 45 273 + CD1_GB1_5 C_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 274 CD1_GB1_5 O_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 275 - CD1_GB1_5 N_GB1_33 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 276 - CD1_GB1_5 OH_GB1_33 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 45 286 - CD1_GB1_5 C_GB1_33 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 287 + CD1_GB1_5 N_GB1_33 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 276 + CD1_GB1_5 OH_GB1_33 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 45 286 + CD1_GB1_5 C_GB1_33 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 287 CD1_GB1_5 O_GB1_33 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 288 - CD1_GB1_5 N_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 289 - CD1_GB1_5 C_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 293 + CD1_GB1_5 N_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 289 + CD1_GB1_5 C_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 293 CD1_GB1_5 O_GB1_34 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 294 - CD1_GB1_5 N_GB1_35 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 295 - CD1_GB1_5 CG_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 299 + CD1_GB1_5 N_GB1_35 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 295 + CD1_GB1_5 CG_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 299 CD1_GB1_5 OD1_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 300 - CD1_GB1_5 ND2_GB1_35 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 45 301 - CD1_GB1_5 C_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 302 + CD1_GB1_5 ND2_GB1_35 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 45 301 + CD1_GB1_5 C_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 302 CD1_GB1_5 O_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 303 - CD1_GB1_5 N_GB1_36 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 304 - CD1_GB1_5 CG_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 308 + CD1_GB1_5 N_GB1_36 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 304 + CD1_GB1_5 CG_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 308 CD1_GB1_5 OD1_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 45 309 CD1_GB1_5 OD2_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 45 310 - CD1_GB1_5 C_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 311 + CD1_GB1_5 C_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 311 CD1_GB1_5 O_GB1_36 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 312 - CD1_GB1_5 N_GB1_37 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 313 - CD1_GB1_5 CG_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 317 + CD1_GB1_5 N_GB1_37 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 313 + CD1_GB1_5 CG_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 317 CD1_GB1_5 OD1_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 318 - CD1_GB1_5 ND2_GB1_37 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 45 319 - CD1_GB1_5 C_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 320 + CD1_GB1_5 ND2_GB1_37 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 45 319 + CD1_GB1_5 C_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 320 CD1_GB1_5 O_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 321 - CD1_GB1_5 N_GB1_38 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 322 - CD1_GB1_5 C_GB1_38 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 325 + CD1_GB1_5 N_GB1_38 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 322 + CD1_GB1_5 C_GB1_38 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 325 CD1_GB1_5 O_GB1_38 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 326 - CD1_GB1_5 N_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 327 - CD1_GB1_5 C_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 333 + CD1_GB1_5 N_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 327 + CD1_GB1_5 C_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 333 CD1_GB1_5 O_GB1_39 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 334 - CD1_GB1_5 N_GB1_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 335 - CD1_GB1_5 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 339 + CD1_GB1_5 N_GB1_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 335 + CD1_GB1_5 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 339 CD1_GB1_5 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 45 340 CD1_GB1_5 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 45 341 - CD1_GB1_5 C_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 342 + CD1_GB1_5 C_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 342 CD1_GB1_5 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 343 - CD1_GB1_5 N_GB1_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 344 - CD1_GB1_5 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 347 + CD1_GB1_5 N_GB1_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 344 + CD1_GB1_5 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 347 CD1_GB1_5 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 348 - CD1_GB1_5 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 349 - CD1_GB1_5 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 354 + CD1_GB1_5 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 349 + CD1_GB1_5 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 354 CD1_GB1_5 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 45 355 CD1_GB1_5 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 45 356 - CD1_GB1_5 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 357 + CD1_GB1_5 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 357 CD1_GB1_5 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 358 - CD1_GB1_5 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 359 - CD1_GB1_5 NE1_GB1_43 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.0 1.0 1.0 1.0 False mg 7 45 366 - CD1_GB1_5 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 372 + CD1_GB1_5 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 359 + CD1_GB1_5 NE1_GB1_43 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.0 1.0 1.0 1.0 False mg 7 45 366 + CD1_GB1_5 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 372 CD1_GB1_5 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 373 - CD1_GB1_5 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 374 - CD1_GB1_5 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 45 378 - CD1_GB1_5 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 380 + CD1_GB1_5 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 374 + CD1_GB1_5 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 45 378 + CD1_GB1_5 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 380 CD1_GB1_5 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 381 - CD1_GB1_5 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 382 - CD1_GB1_5 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 45 392 - CD1_GB1_5 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 393 + CD1_GB1_5 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 382 + CD1_GB1_5 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 45 392 + CD1_GB1_5 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 393 CD1_GB1_5 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 394 - CD1_GB1_5 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 395 - CD1_GB1_5 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 399 + CD1_GB1_5 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 395 + CD1_GB1_5 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 399 CD1_GB1_5 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 45 400 CD1_GB1_5 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 45 401 - CD1_GB1_5 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 402 + CD1_GB1_5 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 402 CD1_GB1_5 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 403 - CD1_GB1_5 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 404 - CD1_GB1_5 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 408 + CD1_GB1_5 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 404 + CD1_GB1_5 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 408 CD1_GB1_5 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 45 409 CD1_GB1_5 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 45 410 - CD1_GB1_5 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 411 + CD1_GB1_5 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 411 CD1_GB1_5 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 412 - CD1_GB1_5 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 413 - CD1_GB1_5 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 417 + CD1_GB1_5 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 413 + CD1_GB1_5 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 417 CD1_GB1_5 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 418 - CD1_GB1_5 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 419 - CD1_GB1_5 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 45 423 - CD1_GB1_5 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 425 + CD1_GB1_5 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 419 + CD1_GB1_5 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 45 423 + CD1_GB1_5 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 425 CD1_GB1_5 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 426 - CD1_GB1_5 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 427 - CD1_GB1_5 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 434 - CD1_GB1_5 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 435 + CD1_GB1_5 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 427 + CD1_GB1_5 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 434 + CD1_GB1_5 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 435 CD1_GB1_5 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 436 - CD1_GB1_5 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 437 - CD1_GB1_5 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 45 441 - CD1_GB1_5 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 443 + CD1_GB1_5 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 437 + CD1_GB1_5 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 45 441 + CD1_GB1_5 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 443 CD1_GB1_5 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 444 - CD1_GB1_5 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 445 - CD1_GB1_5 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 455 + CD1_GB1_5 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 445 + CD1_GB1_5 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 455 CD1_GB1_5 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 456 - CD1_GB1_5 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 457 - CD1_GB1_5 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 45 461 - CD1_GB1_5 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 463 + CD1_GB1_5 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 457 + CD1_GB1_5 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 45 461 + CD1_GB1_5 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 463 CD1_GB1_5 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 464 - CD1_GB1_5 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 465 - CD1_GB1_5 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 471 + CD1_GB1_5 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 465 + CD1_GB1_5 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 471 CD1_GB1_5 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 472 - CD1_GB1_5 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 473 - CD1_GB1_5 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 45 477 - CD1_GB1_5 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 479 + CD1_GB1_5 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 473 + CD1_GB1_5 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 45 477 + CD1_GB1_5 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 479 CD1_GB1_5 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 45 480 - CD1_GB1_5 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 45 481 - CD1_GB1_5 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 486 + CD1_GB1_5 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 45 481 + CD1_GB1_5 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 486 CD1_GB1_5 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 45 487 CD1_GB1_5 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 45 488 - CD1_GB1_5 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 45 489 + CD1_GB1_5 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 45 489 CD1_GB1_5 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 45 490 CD1_GB1_5 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 45 491 - CD2_GB1_5 C_GB1_5 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 47 + CD2_GB1_5 C_GB1_5 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 47 CD2_GB1_5 O_GB1_5 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 48 - CD2_GB1_5 N_GB1_6 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 49 - CD2_GB1_5 C_GB1_6 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 56 + CD2_GB1_5 N_GB1_6 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 49 + CD2_GB1_5 C_GB1_6 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 56 CD2_GB1_5 O_GB1_6 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 57 - CD2_GB1_5 N_GB1_7 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 58 - CD2_GB1_5 C_GB1_7 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 65 + CD2_GB1_5 N_GB1_7 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 58 + CD2_GB1_5 C_GB1_7 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 65 CD2_GB1_5 O_GB1_7 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 66 - CD2_GB1_5 N_GB1_8 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 67 - CD2_GB1_5 CG_GB1_8 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 71 + CD2_GB1_5 N_GB1_8 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 67 + CD2_GB1_5 CG_GB1_8 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 71 CD2_GB1_5 OD1_GB1_8 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 72 - CD2_GB1_5 ND2_GB1_8 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 46 73 - CD2_GB1_5 C_GB1_8 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 74 + CD2_GB1_5 ND2_GB1_8 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 46 73 + CD2_GB1_5 C_GB1_8 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 74 CD2_GB1_5 O_GB1_8 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 75 - CD2_GB1_5 N_GB1_9 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 76 - CD2_GB1_5 C_GB1_9 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 79 + CD2_GB1_5 N_GB1_9 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 76 + CD2_GB1_5 C_GB1_9 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 79 CD2_GB1_5 O_GB1_9 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 80 - CD2_GB1_5 N_GB1_10 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 81 - CD2_GB1_5 NZ_GB1_10 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 88 - CD2_GB1_5 C_GB1_10 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 89 + CD2_GB1_5 N_GB1_10 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 81 + CD2_GB1_5 NZ_GB1_10 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 88 + CD2_GB1_5 C_GB1_10 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 89 CD2_GB1_5 O_GB1_10 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 90 - CD2_GB1_5 N_GB1_11 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 91 - CD2_GB1_5 OG1_GB1_11 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 46 95 - CD2_GB1_5 C_GB1_11 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 97 + CD2_GB1_5 N_GB1_11 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 91 + CD2_GB1_5 OG1_GB1_11 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 46 95 + CD2_GB1_5 C_GB1_11 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 97 CD2_GB1_5 O_GB1_11 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 98 - CD2_GB1_5 N_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 99 - CD2_GB1_5 C_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 106 + CD2_GB1_5 N_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 99 + CD2_GB1_5 C_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 106 CD2_GB1_5 O_GB1_12 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 107 - CD2_GB1_5 N_GB1_13 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 108 - CD2_GB1_5 NZ_GB1_13 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 115 - CD2_GB1_5 C_GB1_13 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 116 + CD2_GB1_5 N_GB1_13 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 108 + CD2_GB1_5 NZ_GB1_13 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 115 + CD2_GB1_5 C_GB1_13 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 116 CD2_GB1_5 O_GB1_13 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 117 - CD2_GB1_5 N_GB1_14 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 118 - CD2_GB1_5 C_GB1_14 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 121 + CD2_GB1_5 N_GB1_14 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 118 + CD2_GB1_5 C_GB1_14 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 121 CD2_GB1_5 O_GB1_14 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 122 - CD2_GB1_5 N_GB1_15 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 123 - CD2_GB1_5 CD_GB1_15 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 128 + CD2_GB1_5 N_GB1_15 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 123 + CD2_GB1_5 CD_GB1_15 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 128 CD2_GB1_5 OE1_GB1_15 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 46 129 CD2_GB1_5 OE2_GB1_15 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 46 130 - CD2_GB1_5 C_GB1_15 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 131 + CD2_GB1_5 C_GB1_15 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 131 CD2_GB1_5 O_GB1_15 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 132 - CD2_GB1_5 N_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 133 - CD2_GB1_5 OG1_GB1_16 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 46 137 - CD2_GB1_5 C_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 139 + CD2_GB1_5 N_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 133 + CD2_GB1_5 OG1_GB1_16 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 46 137 + CD2_GB1_5 C_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 139 CD2_GB1_5 O_GB1_16 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 140 - CD2_GB1_5 N_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 141 - CD2_GB1_5 OG1_GB1_17 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 46 145 - CD2_GB1_5 C_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 147 + CD2_GB1_5 N_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 141 + CD2_GB1_5 OG1_GB1_17 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 46 145 + CD2_GB1_5 C_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 147 CD2_GB1_5 O_GB1_17 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 148 - CD2_GB1_5 N_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 149 - CD2_GB1_5 OG1_GB1_18 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 46 153 - CD2_GB1_5 C_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 155 + CD2_GB1_5 N_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 149 + CD2_GB1_5 OG1_GB1_18 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 46 153 + CD2_GB1_5 C_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 155 CD2_GB1_5 O_GB1_18 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 156 - CD2_GB1_5 N_GB1_19 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 157 - CD2_GB1_5 CD_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 162 + CD2_GB1_5 N_GB1_19 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 157 + CD2_GB1_5 CD_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 162 CD2_GB1_5 OE1_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 46 163 CD2_GB1_5 OE2_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 46 164 - CD2_GB1_5 C_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 165 + CD2_GB1_5 C_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 165 CD2_GB1_5 O_GB1_19 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 166 - CD2_GB1_5 N_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 167 - CD2_GB1_5 C_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 171 + CD2_GB1_5 N_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 167 + CD2_GB1_5 C_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 171 CD2_GB1_5 O_GB1_20 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 172 - CD2_GB1_5 N_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 173 - CD2_GB1_5 C_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 179 + CD2_GB1_5 N_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 173 + CD2_GB1_5 C_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 179 CD2_GB1_5 O_GB1_21 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 180 - CD2_GB1_5 N_GB1_22 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 181 - CD2_GB1_5 CG_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 185 + CD2_GB1_5 N_GB1_22 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 181 + CD2_GB1_5 CG_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 185 CD2_GB1_5 OD1_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 46 186 CD2_GB1_5 OD2_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 46 187 - CD2_GB1_5 C_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 188 + CD2_GB1_5 C_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 188 CD2_GB1_5 O_GB1_22 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 189 - CD2_GB1_5 N_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 190 - CD2_GB1_5 C_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 194 + CD2_GB1_5 N_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 190 + CD2_GB1_5 C_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 194 CD2_GB1_5 O_GB1_23 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 195 - CD2_GB1_5 N_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 196 - CD2_GB1_5 C_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 200 + CD2_GB1_5 N_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 196 + CD2_GB1_5 C_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 200 CD2_GB1_5 O_GB1_24 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 201 - CD2_GB1_5 N_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 202 - CD2_GB1_5 OG1_GB1_25 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 46 206 - CD2_GB1_5 C_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 208 + CD2_GB1_5 N_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 202 + CD2_GB1_5 OG1_GB1_25 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 46 206 + CD2_GB1_5 C_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 208 CD2_GB1_5 O_GB1_25 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 209 - CD2_GB1_5 N_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 210 - CD2_GB1_5 C_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 214 + CD2_GB1_5 N_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 210 + CD2_GB1_5 C_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 214 CD2_GB1_5 O_GB1_26 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 215 - CD2_GB1_5 N_GB1_27 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 216 - CD2_GB1_5 CD_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 221 + CD2_GB1_5 N_GB1_27 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 216 + CD2_GB1_5 CD_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 221 CD2_GB1_5 OE1_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 46 222 CD2_GB1_5 OE2_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 46 223 - CD2_GB1_5 C_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 224 + CD2_GB1_5 C_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 224 CD2_GB1_5 O_GB1_27 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 225 - CD2_GB1_5 N_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 226 - CD2_GB1_5 NZ_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 233 - CD2_GB1_5 C_GB1_28 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 234 + CD2_GB1_5 N_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 226 + CD2_GB1_5 NZ_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 233 + CD2_GB1_5 C_GB1_28 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 234 CD2_GB1_5 O_GB1_28 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 235 - CD2_GB1_5 N_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 236 - CD2_GB1_5 C_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 242 + CD2_GB1_5 N_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 236 + CD2_GB1_5 C_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 242 CD2_GB1_5 O_GB1_29 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 243 - CD2_GB1_5 N_GB1_30 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 244 - CD2_GB1_5 C_GB1_30 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 254 + CD2_GB1_5 N_GB1_30 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 244 + CD2_GB1_5 C_GB1_30 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 254 CD2_GB1_5 O_GB1_30 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 255 - CD2_GB1_5 N_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 256 - CD2_GB1_5 NZ_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 263 - CD2_GB1_5 C_GB1_31 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 264 + CD2_GB1_5 N_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 256 + CD2_GB1_5 NZ_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 263 + CD2_GB1_5 C_GB1_31 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 264 CD2_GB1_5 O_GB1_31 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 265 - CD2_GB1_5 N_GB1_32 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 266 - CD2_GB1_5 CD_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 271 + CD2_GB1_5 N_GB1_32 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 266 + CD2_GB1_5 CD_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 271 CD2_GB1_5 OE1_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 272 - CD2_GB1_5 NE2_GB1_32 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 46 273 - CD2_GB1_5 C_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 274 + CD2_GB1_5 NE2_GB1_32 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 46 273 + CD2_GB1_5 C_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 274 CD2_GB1_5 O_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 275 - CD2_GB1_5 N_GB1_33 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 276 - CD2_GB1_5 OH_GB1_33 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 46 286 - CD2_GB1_5 C_GB1_33 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 287 + CD2_GB1_5 N_GB1_33 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 276 + CD2_GB1_5 OH_GB1_33 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 46 286 + CD2_GB1_5 C_GB1_33 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 287 CD2_GB1_5 O_GB1_33 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 288 - CD2_GB1_5 N_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 289 - CD2_GB1_5 C_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 293 + CD2_GB1_5 N_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 289 + CD2_GB1_5 C_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 293 CD2_GB1_5 O_GB1_34 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 294 - CD2_GB1_5 N_GB1_35 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 295 - CD2_GB1_5 CG_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 299 + CD2_GB1_5 N_GB1_35 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 295 + CD2_GB1_5 CG_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 299 CD2_GB1_5 OD1_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 300 - CD2_GB1_5 ND2_GB1_35 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 46 301 - CD2_GB1_5 C_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 302 + CD2_GB1_5 ND2_GB1_35 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 46 301 + CD2_GB1_5 C_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 302 CD2_GB1_5 O_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 303 - CD2_GB1_5 N_GB1_36 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 304 - CD2_GB1_5 CG_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 308 + CD2_GB1_5 N_GB1_36 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 304 + CD2_GB1_5 CG_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 308 CD2_GB1_5 OD1_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 46 309 CD2_GB1_5 OD2_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 46 310 - CD2_GB1_5 C_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 311 + CD2_GB1_5 C_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 311 CD2_GB1_5 O_GB1_36 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 312 - CD2_GB1_5 N_GB1_37 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 313 - CD2_GB1_5 CG_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 317 + CD2_GB1_5 N_GB1_37 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 313 + CD2_GB1_5 CG_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 317 CD2_GB1_5 OD1_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 318 - CD2_GB1_5 ND2_GB1_37 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 46 319 - CD2_GB1_5 C_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 320 + CD2_GB1_5 ND2_GB1_37 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 46 319 + CD2_GB1_5 C_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 320 CD2_GB1_5 O_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 321 - CD2_GB1_5 N_GB1_38 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 322 - CD2_GB1_5 C_GB1_38 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 325 + CD2_GB1_5 N_GB1_38 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 322 + CD2_GB1_5 C_GB1_38 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 325 CD2_GB1_5 O_GB1_38 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 326 - CD2_GB1_5 N_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 327 - CD2_GB1_5 C_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 333 + CD2_GB1_5 N_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 327 + CD2_GB1_5 C_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 333 CD2_GB1_5 O_GB1_39 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 334 - CD2_GB1_5 N_GB1_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 335 - CD2_GB1_5 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 339 + CD2_GB1_5 N_GB1_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 335 + CD2_GB1_5 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 339 CD2_GB1_5 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 46 340 CD2_GB1_5 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 46 341 - CD2_GB1_5 C_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 342 + CD2_GB1_5 C_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 342 CD2_GB1_5 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 343 - CD2_GB1_5 N_GB1_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 344 - CD2_GB1_5 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 347 + CD2_GB1_5 N_GB1_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 344 + CD2_GB1_5 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 347 CD2_GB1_5 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 348 - CD2_GB1_5 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 349 - CD2_GB1_5 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 354 + CD2_GB1_5 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 349 + CD2_GB1_5 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 354 CD2_GB1_5 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 46 355 CD2_GB1_5 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 46 356 - CD2_GB1_5 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 357 + CD2_GB1_5 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 357 CD2_GB1_5 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 358 - CD2_GB1_5 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 359 - CD2_GB1_5 NE1_GB1_43 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.0 1.0 1.0 1.0 False mg 7 46 366 - CD2_GB1_5 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 372 + CD2_GB1_5 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 359 + CD2_GB1_5 NE1_GB1_43 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.0 1.0 1.0 1.0 False mg 7 46 366 + CD2_GB1_5 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 372 CD2_GB1_5 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 373 - CD2_GB1_5 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 374 - CD2_GB1_5 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 46 378 - CD2_GB1_5 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 380 + CD2_GB1_5 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 374 + CD2_GB1_5 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 46 378 + CD2_GB1_5 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 380 CD2_GB1_5 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 381 - CD2_GB1_5 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 382 - CD2_GB1_5 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 46 392 - CD2_GB1_5 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 393 + CD2_GB1_5 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 382 + CD2_GB1_5 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 46 392 + CD2_GB1_5 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 393 CD2_GB1_5 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 394 - CD2_GB1_5 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 395 - CD2_GB1_5 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 399 + CD2_GB1_5 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 395 + CD2_GB1_5 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 399 CD2_GB1_5 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 46 400 CD2_GB1_5 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 46 401 - CD2_GB1_5 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 402 + CD2_GB1_5 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 402 CD2_GB1_5 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 403 - CD2_GB1_5 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 404 - CD2_GB1_5 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 408 + CD2_GB1_5 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 404 + CD2_GB1_5 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 408 CD2_GB1_5 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 46 409 CD2_GB1_5 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 46 410 - CD2_GB1_5 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 411 + CD2_GB1_5 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 411 CD2_GB1_5 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 412 - CD2_GB1_5 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 413 - CD2_GB1_5 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 417 + CD2_GB1_5 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 413 + CD2_GB1_5 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 417 CD2_GB1_5 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 418 - CD2_GB1_5 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 419 - CD2_GB1_5 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 46 423 - CD2_GB1_5 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 425 + CD2_GB1_5 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 419 + CD2_GB1_5 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 46 423 + CD2_GB1_5 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 425 CD2_GB1_5 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 426 - CD2_GB1_5 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 427 - CD2_GB1_5 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 434 - CD2_GB1_5 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 435 + CD2_GB1_5 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 427 + CD2_GB1_5 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 434 + CD2_GB1_5 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 435 CD2_GB1_5 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 436 - CD2_GB1_5 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 437 - CD2_GB1_5 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 46 441 - CD2_GB1_5 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 443 + CD2_GB1_5 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 437 + CD2_GB1_5 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 46 441 + CD2_GB1_5 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 443 CD2_GB1_5 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 444 - CD2_GB1_5 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 445 - CD2_GB1_5 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 455 + CD2_GB1_5 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 445 + CD2_GB1_5 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 455 CD2_GB1_5 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 456 - CD2_GB1_5 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 457 - CD2_GB1_5 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 46 461 - CD2_GB1_5 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 463 + CD2_GB1_5 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 457 + CD2_GB1_5 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 46 461 + CD2_GB1_5 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 463 CD2_GB1_5 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 464 - CD2_GB1_5 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 465 - CD2_GB1_5 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 471 + CD2_GB1_5 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 465 + CD2_GB1_5 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 471 CD2_GB1_5 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 472 - CD2_GB1_5 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 473 - CD2_GB1_5 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 46 477 - CD2_GB1_5 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 479 + CD2_GB1_5 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 473 + CD2_GB1_5 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 46 477 + CD2_GB1_5 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 479 CD2_GB1_5 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 46 480 - CD2_GB1_5 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 46 481 - CD2_GB1_5 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 486 + CD2_GB1_5 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 46 481 + CD2_GB1_5 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 486 CD2_GB1_5 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 46 487 CD2_GB1_5 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 46 488 - CD2_GB1_5 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 46 489 + CD2_GB1_5 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 46 489 CD2_GB1_5 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 46 490 CD2_GB1_5 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 46 491 - C_GB1_5 CB_GB1_6 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 47 52 - C_GB1_5 CG1_GB1_6 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 53 - C_GB1_5 CG2_GB1_6 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 47 54 - C_GB1_5 CD_GB1_6 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 47 55 - C_GB1_5 CB_GB1_7 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 61 - C_GB1_5 CG_GB1_7 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 47 62 - C_GB1_5 CD1_GB1_7 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 47 63 - C_GB1_5 CD2_GB1_7 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 47 64 - C_GB1_5 CB_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 70 - C_GB1_5 CA_GB1_9 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 78 - C_GB1_5 CB_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 84 - C_GB1_5 CG_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 85 - C_GB1_5 CD_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 86 - C_GB1_5 CE_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 87 - C_GB1_5 CB_GB1_11 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 47 94 - C_GB1_5 CG2_GB1_11 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 47 96 - C_GB1_5 CB_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 102 - C_GB1_5 CG_GB1_12 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 47 103 - C_GB1_5 CD1_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 47 104 - C_GB1_5 CD2_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 47 105 - C_GB1_5 CB_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 111 - C_GB1_5 CG_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 112 - C_GB1_5 CD_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 113 - C_GB1_5 CE_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 114 - C_GB1_5 CA_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 120 - C_GB1_5 CB_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 126 - C_GB1_5 CG_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 127 - C_GB1_5 CB_GB1_16 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 47 136 - C_GB1_5 CG2_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 47 138 - C_GB1_5 CB_GB1_17 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 47 144 - C_GB1_5 CG2_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 47 146 - C_GB1_5 CB_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 47 152 - C_GB1_5 CG2_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 47 154 - C_GB1_5 CB_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 160 - C_GB1_5 CG_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 161 - C_GB1_5 CB_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 47 170 - C_GB1_5 CB_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 47 176 - C_GB1_5 CG1_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 47 177 - C_GB1_5 CG2_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 47 178 - C_GB1_5 CB_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 184 - C_GB1_5 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 47 193 - C_GB1_5 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 47 199 - C_GB1_5 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 47 205 - C_GB1_5 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 47 207 - C_GB1_5 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 47 213 - C_GB1_5 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 219 - C_GB1_5 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 220 - C_GB1_5 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 229 - C_GB1_5 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 230 - C_GB1_5 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 231 - C_GB1_5 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 232 - C_GB1_5 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 47 239 - C_GB1_5 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 47 240 - C_GB1_5 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 47 241 - C_GB1_5 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 247 - C_GB1_5 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 259 - C_GB1_5 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 260 - C_GB1_5 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 261 - C_GB1_5 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 262 - C_GB1_5 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 269 - C_GB1_5 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 270 - C_GB1_5 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 279 - C_GB1_5 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 47 292 - C_GB1_5 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 298 - C_GB1_5 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 307 - C_GB1_5 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 316 - C_GB1_5 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 324 - C_GB1_5 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 47 330 - C_GB1_5 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 47 331 - C_GB1_5 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 47 332 - C_GB1_5 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 338 - C_GB1_5 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 346 - C_GB1_5 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 352 - C_GB1_5 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 353 - C_GB1_5 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 362 - C_GB1_5 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 47 377 - C_GB1_5 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 47 379 - C_GB1_5 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 385 - C_GB1_5 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 398 - C_GB1_5 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 407 - C_GB1_5 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 47 416 - C_GB1_5 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 47 422 - C_GB1_5 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 47 424 - C_GB1_5 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 430 - C_GB1_5 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 431 - C_GB1_5 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 432 - C_GB1_5 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 433 - C_GB1_5 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 47 440 - C_GB1_5 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 47 442 - C_GB1_5 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 448 - C_GB1_5 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 47 460 - C_GB1_5 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 47 462 - C_GB1_5 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 47 468 - C_GB1_5 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 47 469 - C_GB1_5 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 47 470 - C_GB1_5 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 47 476 - C_GB1_5 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 47 478 - C_GB1_5 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 484 - C_GB1_5 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 47 485 + C_GB1_5 CB_GB1_6 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 47 52 + C_GB1_5 CG1_GB1_6 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 53 + C_GB1_5 CG2_GB1_6 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 47 54 + C_GB1_5 CD_GB1_6 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 47 55 + C_GB1_5 CB_GB1_7 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 61 + C_GB1_5 CG_GB1_7 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 47 62 + C_GB1_5 CD1_GB1_7 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 47 63 + C_GB1_5 CD2_GB1_7 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 47 64 + C_GB1_5 CB_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 70 + C_GB1_5 CA_GB1_9 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 78 + C_GB1_5 CB_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 84 + C_GB1_5 CG_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 85 + C_GB1_5 CD_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 86 + C_GB1_5 CE_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 87 + C_GB1_5 CB_GB1_11 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 47 94 + C_GB1_5 CG2_GB1_11 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 47 96 + C_GB1_5 CB_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 102 + C_GB1_5 CG_GB1_12 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 47 103 + C_GB1_5 CD1_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 47 104 + C_GB1_5 CD2_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 47 105 + C_GB1_5 CB_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 111 + C_GB1_5 CG_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 112 + C_GB1_5 CD_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 113 + C_GB1_5 CE_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 114 + C_GB1_5 CA_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 120 + C_GB1_5 CB_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 126 + C_GB1_5 CG_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 127 + C_GB1_5 CB_GB1_16 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 47 136 + C_GB1_5 CG2_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 47 138 + C_GB1_5 CB_GB1_17 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 47 144 + C_GB1_5 CG2_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 47 146 + C_GB1_5 CB_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 47 152 + C_GB1_5 CG2_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 47 154 + C_GB1_5 CB_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 160 + C_GB1_5 CG_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 161 + C_GB1_5 CB_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 47 170 + C_GB1_5 CB_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 47 176 + C_GB1_5 CG1_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 47 177 + C_GB1_5 CG2_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 47 178 + C_GB1_5 CB_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 184 + C_GB1_5 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 47 193 + C_GB1_5 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 47 199 + C_GB1_5 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 47 205 + C_GB1_5 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 47 207 + C_GB1_5 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 47 213 + C_GB1_5 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 219 + C_GB1_5 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 220 + C_GB1_5 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 229 + C_GB1_5 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 230 + C_GB1_5 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 231 + C_GB1_5 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 232 + C_GB1_5 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 47 239 + C_GB1_5 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 47 240 + C_GB1_5 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 47 241 + C_GB1_5 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 247 + C_GB1_5 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 259 + C_GB1_5 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 260 + C_GB1_5 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 261 + C_GB1_5 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 262 + C_GB1_5 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 269 + C_GB1_5 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 270 + C_GB1_5 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 279 + C_GB1_5 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 47 292 + C_GB1_5 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 298 + C_GB1_5 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 307 + C_GB1_5 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 316 + C_GB1_5 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 324 + C_GB1_5 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 47 330 + C_GB1_5 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 47 331 + C_GB1_5 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 47 332 + C_GB1_5 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 338 + C_GB1_5 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 346 + C_GB1_5 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 352 + C_GB1_5 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 353 + C_GB1_5 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 362 + C_GB1_5 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 47 377 + C_GB1_5 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 47 379 + C_GB1_5 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 385 + C_GB1_5 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 398 + C_GB1_5 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 407 + C_GB1_5 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 47 416 + C_GB1_5 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 47 422 + C_GB1_5 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 47 424 + C_GB1_5 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 430 + C_GB1_5 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 431 + C_GB1_5 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 432 + C_GB1_5 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 433 + C_GB1_5 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 47 440 + C_GB1_5 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 47 442 + C_GB1_5 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 448 + C_GB1_5 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 47 460 + C_GB1_5 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 47 462 + C_GB1_5 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 47 468 + C_GB1_5 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 47 469 + C_GB1_5 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 47 470 + C_GB1_5 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 47 476 + C_GB1_5 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 47 478 + C_GB1_5 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 484 + C_GB1_5 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 47 485 O_GB1_5 O_GB1_5 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 48 48 O_GB1_5 H_GB1_6 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 48 50 O_GB1_5 CB_GB1_6 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 48 52 @@ -7002,105 +7002,105 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573658e-04 5.159165e-08 O_GB1_5 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 48 488 O_GB1_5 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 48 490 O_GB1_5 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 48 491 - N_GB1_6 CB_GB1_6 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 49 52 - N_GB1_6 CG1_GB1_6 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 53 - N_GB1_6 CG2_GB1_6 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 49 54 - N_GB1_6 CD_GB1_6 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 49 55 - N_GB1_6 CB_GB1_7 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 61 - N_GB1_6 CG_GB1_7 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 49 62 - N_GB1_6 CD1_GB1_7 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 49 63 - N_GB1_6 CD2_GB1_7 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 49 64 - N_GB1_6 CB_GB1_8 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 70 - N_GB1_6 CA_GB1_9 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 78 - N_GB1_6 CB_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 84 - N_GB1_6 CG_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 85 - N_GB1_6 CD_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 86 - N_GB1_6 CE_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 87 - N_GB1_6 CB_GB1_11 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 49 94 - N_GB1_6 CG2_GB1_11 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 49 96 - N_GB1_6 CB_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 102 - N_GB1_6 CG_GB1_12 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 49 103 - N_GB1_6 CD1_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 49 104 - N_GB1_6 CD2_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 49 105 - N_GB1_6 CB_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 111 - N_GB1_6 CG_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 112 - N_GB1_6 CD_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 113 - N_GB1_6 CE_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 114 - N_GB1_6 CA_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 120 - N_GB1_6 CB_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 126 - N_GB1_6 CG_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 127 - N_GB1_6 CB_GB1_16 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 49 136 - N_GB1_6 CG2_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 49 138 - N_GB1_6 CB_GB1_17 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 49 144 - N_GB1_6 CG2_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 49 146 - N_GB1_6 CB_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 49 152 - N_GB1_6 CG2_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 49 154 - N_GB1_6 CB_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 160 - N_GB1_6 CG_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 161 - N_GB1_6 CB_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 49 170 - N_GB1_6 CB_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 49 176 - N_GB1_6 CG1_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 49 177 - N_GB1_6 CG2_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 49 178 - N_GB1_6 CB_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 184 - N_GB1_6 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 49 193 - N_GB1_6 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 49 199 - N_GB1_6 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 49 205 - N_GB1_6 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 49 207 - N_GB1_6 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 49 213 - N_GB1_6 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 219 - N_GB1_6 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 220 - N_GB1_6 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 229 - N_GB1_6 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 230 - N_GB1_6 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 231 - N_GB1_6 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 232 - N_GB1_6 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 49 239 - N_GB1_6 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 49 240 - N_GB1_6 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 49 241 - N_GB1_6 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 247 - N_GB1_6 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 259 - N_GB1_6 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 260 - N_GB1_6 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 261 - N_GB1_6 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 262 - N_GB1_6 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 269 - N_GB1_6 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 270 - N_GB1_6 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 279 - N_GB1_6 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 49 292 - N_GB1_6 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 298 - N_GB1_6 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 307 - N_GB1_6 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 316 - N_GB1_6 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 324 - N_GB1_6 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 49 330 - N_GB1_6 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 49 331 - N_GB1_6 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 49 332 - N_GB1_6 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 338 - N_GB1_6 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 346 - N_GB1_6 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 352 - N_GB1_6 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 353 - N_GB1_6 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 362 - N_GB1_6 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 49 377 - N_GB1_6 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 49 379 - N_GB1_6 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 385 - N_GB1_6 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 398 - N_GB1_6 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 407 - N_GB1_6 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 49 416 - N_GB1_6 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 49 422 - N_GB1_6 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 49 424 - N_GB1_6 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 430 - N_GB1_6 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 431 - N_GB1_6 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 432 - N_GB1_6 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 433 - N_GB1_6 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 49 440 - N_GB1_6 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 49 442 - N_GB1_6 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 448 - N_GB1_6 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 49 460 - N_GB1_6 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 49 462 - N_GB1_6 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 49 468 - N_GB1_6 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 49 469 - N_GB1_6 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 49 470 - N_GB1_6 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 49 476 - N_GB1_6 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 49 478 - N_GB1_6 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 484 - N_GB1_6 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 49 485 + N_GB1_6 CB_GB1_6 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 49 52 + N_GB1_6 CG1_GB1_6 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 53 + N_GB1_6 CG2_GB1_6 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 49 54 + N_GB1_6 CD_GB1_6 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 49 55 + N_GB1_6 CB_GB1_7 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 61 + N_GB1_6 CG_GB1_7 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 49 62 + N_GB1_6 CD1_GB1_7 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 49 63 + N_GB1_6 CD2_GB1_7 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 49 64 + N_GB1_6 CB_GB1_8 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 70 + N_GB1_6 CA_GB1_9 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 78 + N_GB1_6 CB_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 84 + N_GB1_6 CG_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 85 + N_GB1_6 CD_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 86 + N_GB1_6 CE_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 87 + N_GB1_6 CB_GB1_11 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 49 94 + N_GB1_6 CG2_GB1_11 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 49 96 + N_GB1_6 CB_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 102 + N_GB1_6 CG_GB1_12 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 49 103 + N_GB1_6 CD1_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 49 104 + N_GB1_6 CD2_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 49 105 + N_GB1_6 CB_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 111 + N_GB1_6 CG_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 112 + N_GB1_6 CD_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 113 + N_GB1_6 CE_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 114 + N_GB1_6 CA_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 120 + N_GB1_6 CB_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 126 + N_GB1_6 CG_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 127 + N_GB1_6 CB_GB1_16 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 49 136 + N_GB1_6 CG2_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 49 138 + N_GB1_6 CB_GB1_17 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 49 144 + N_GB1_6 CG2_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 49 146 + N_GB1_6 CB_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 49 152 + N_GB1_6 CG2_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 49 154 + N_GB1_6 CB_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 160 + N_GB1_6 CG_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 161 + N_GB1_6 CB_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 49 170 + N_GB1_6 CB_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 49 176 + N_GB1_6 CG1_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 49 177 + N_GB1_6 CG2_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 49 178 + N_GB1_6 CB_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 184 + N_GB1_6 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 49 193 + N_GB1_6 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 49 199 + N_GB1_6 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 49 205 + N_GB1_6 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 49 207 + N_GB1_6 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 49 213 + N_GB1_6 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 219 + N_GB1_6 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 220 + N_GB1_6 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 229 + N_GB1_6 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 230 + N_GB1_6 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 231 + N_GB1_6 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 232 + N_GB1_6 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 49 239 + N_GB1_6 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 49 240 + N_GB1_6 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 49 241 + N_GB1_6 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 247 + N_GB1_6 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 259 + N_GB1_6 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 260 + N_GB1_6 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 261 + N_GB1_6 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 262 + N_GB1_6 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 269 + N_GB1_6 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 270 + N_GB1_6 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 279 + N_GB1_6 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 49 292 + N_GB1_6 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 298 + N_GB1_6 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 307 + N_GB1_6 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 316 + N_GB1_6 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 324 + N_GB1_6 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 49 330 + N_GB1_6 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 49 331 + N_GB1_6 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 49 332 + N_GB1_6 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 338 + N_GB1_6 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 346 + N_GB1_6 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 352 + N_GB1_6 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 353 + N_GB1_6 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 362 + N_GB1_6 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 49 377 + N_GB1_6 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 49 379 + N_GB1_6 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 385 + N_GB1_6 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 398 + N_GB1_6 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 407 + N_GB1_6 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 49 416 + N_GB1_6 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 49 422 + N_GB1_6 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 49 424 + N_GB1_6 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 430 + N_GB1_6 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 431 + N_GB1_6 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 432 + N_GB1_6 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 433 + N_GB1_6 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 49 440 + N_GB1_6 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 49 442 + N_GB1_6 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 448 + N_GB1_6 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 49 460 + N_GB1_6 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 49 462 + N_GB1_6 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 49 468 + N_GB1_6 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 49 469 + N_GB1_6 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 49 470 + N_GB1_6 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 49 476 + N_GB1_6 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 49 478 + N_GB1_6 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 484 + N_GB1_6 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 49 485 H_GB1_6 H_GB1_6 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 50 50 H_GB1_6 O_GB1_6 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 50 57 H_GB1_6 H_GB1_7 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 50 59 @@ -7240,953 +7240,953 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573658e-04 5.159165e-08 H_GB1_6 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 50 488 H_GB1_6 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 50 490 H_GB1_6 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 50 491 - CB_GB1_6 C_GB1_6 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 56 + CB_GB1_6 C_GB1_6 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 56 CB_GB1_6 O_GB1_6 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 57 - CB_GB1_6 N_GB1_7 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 58 - CB_GB1_6 C_GB1_7 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 65 + CB_GB1_6 N_GB1_7 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 58 + CB_GB1_6 C_GB1_7 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 65 CB_GB1_6 O_GB1_7 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 66 - CB_GB1_6 N_GB1_8 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 67 - CB_GB1_6 CG_GB1_8 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 71 + CB_GB1_6 N_GB1_8 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 67 + CB_GB1_6 CG_GB1_8 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 71 CB_GB1_6 OD1_GB1_8 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 72 - CB_GB1_6 ND2_GB1_8 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 52 73 - CB_GB1_6 C_GB1_8 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 74 + CB_GB1_6 ND2_GB1_8 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 52 73 + CB_GB1_6 C_GB1_8 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 74 CB_GB1_6 O_GB1_8 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 75 - CB_GB1_6 N_GB1_9 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 76 - CB_GB1_6 C_GB1_9 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 79 + CB_GB1_6 N_GB1_9 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 76 + CB_GB1_6 C_GB1_9 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 79 CB_GB1_6 O_GB1_9 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 80 - CB_GB1_6 N_GB1_10 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 81 - CB_GB1_6 NZ_GB1_10 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 88 - CB_GB1_6 C_GB1_10 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 89 + CB_GB1_6 N_GB1_10 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 81 + CB_GB1_6 NZ_GB1_10 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 88 + CB_GB1_6 C_GB1_10 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 89 CB_GB1_6 O_GB1_10 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 90 - CB_GB1_6 N_GB1_11 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 91 - CB_GB1_6 OG1_GB1_11 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 52 95 - CB_GB1_6 C_GB1_11 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 97 + CB_GB1_6 N_GB1_11 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 91 + CB_GB1_6 OG1_GB1_11 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 52 95 + CB_GB1_6 C_GB1_11 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 97 CB_GB1_6 O_GB1_11 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 98 - CB_GB1_6 N_GB1_12 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 99 - CB_GB1_6 C_GB1_12 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 106 + CB_GB1_6 N_GB1_12 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 99 + CB_GB1_6 C_GB1_12 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 106 CB_GB1_6 O_GB1_12 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 107 - CB_GB1_6 N_GB1_13 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 108 - CB_GB1_6 NZ_GB1_13 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 115 - CB_GB1_6 C_GB1_13 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 116 + CB_GB1_6 N_GB1_13 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 108 + CB_GB1_6 NZ_GB1_13 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 115 + CB_GB1_6 C_GB1_13 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 116 CB_GB1_6 O_GB1_13 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 117 - CB_GB1_6 N_GB1_14 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 118 - CB_GB1_6 C_GB1_14 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 121 + CB_GB1_6 N_GB1_14 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 118 + CB_GB1_6 C_GB1_14 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 121 CB_GB1_6 O_GB1_14 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 122 - CB_GB1_6 N_GB1_15 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 123 - CB_GB1_6 CD_GB1_15 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 128 - CB_GB1_6 OE1_GB1_15 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 52 129 - CB_GB1_6 OE2_GB1_15 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 52 130 - CB_GB1_6 C_GB1_15 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 131 + CB_GB1_6 N_GB1_15 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 123 + CB_GB1_6 CD_GB1_15 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 128 + CB_GB1_6 OE1_GB1_15 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 52 129 + CB_GB1_6 OE2_GB1_15 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 52 130 + CB_GB1_6 C_GB1_15 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 131 CB_GB1_6 O_GB1_15 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 132 - CB_GB1_6 N_GB1_16 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 133 - CB_GB1_6 OG1_GB1_16 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 52 137 - CB_GB1_6 C_GB1_16 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 139 + CB_GB1_6 N_GB1_16 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 133 + CB_GB1_6 OG1_GB1_16 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 52 137 + CB_GB1_6 C_GB1_16 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 139 CB_GB1_6 O_GB1_16 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 140 - CB_GB1_6 N_GB1_17 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 141 - CB_GB1_6 OG1_GB1_17 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 52 145 - CB_GB1_6 C_GB1_17 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 147 + CB_GB1_6 N_GB1_17 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 141 + CB_GB1_6 OG1_GB1_17 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 52 145 + CB_GB1_6 C_GB1_17 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 147 CB_GB1_6 O_GB1_17 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 148 - CB_GB1_6 N_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 149 - CB_GB1_6 OG1_GB1_18 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 52 153 - CB_GB1_6 C_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 155 + CB_GB1_6 N_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 149 + CB_GB1_6 OG1_GB1_18 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 52 153 + CB_GB1_6 C_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 155 CB_GB1_6 O_GB1_18 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 156 - CB_GB1_6 N_GB1_19 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 157 - CB_GB1_6 CD_GB1_19 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 162 - CB_GB1_6 OE1_GB1_19 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 52 163 - CB_GB1_6 OE2_GB1_19 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 52 164 - CB_GB1_6 C_GB1_19 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 165 + CB_GB1_6 N_GB1_19 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 157 + CB_GB1_6 CD_GB1_19 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 162 + CB_GB1_6 OE1_GB1_19 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 52 163 + CB_GB1_6 OE2_GB1_19 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 52 164 + CB_GB1_6 C_GB1_19 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 165 CB_GB1_6 O_GB1_19 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 166 - CB_GB1_6 N_GB1_20 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 167 - CB_GB1_6 C_GB1_20 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 171 + CB_GB1_6 N_GB1_20 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 167 + CB_GB1_6 C_GB1_20 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 171 CB_GB1_6 O_GB1_20 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 172 - CB_GB1_6 N_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 173 - CB_GB1_6 C_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 179 + CB_GB1_6 N_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 173 + CB_GB1_6 C_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 179 CB_GB1_6 O_GB1_21 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 180 - CB_GB1_6 N_GB1_22 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 181 - CB_GB1_6 CG_GB1_22 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 185 - CB_GB1_6 OD1_GB1_22 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 52 186 - CB_GB1_6 OD2_GB1_22 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 52 187 - CB_GB1_6 C_GB1_22 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 188 + CB_GB1_6 N_GB1_22 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 181 + CB_GB1_6 CG_GB1_22 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 185 + CB_GB1_6 OD1_GB1_22 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 52 186 + CB_GB1_6 OD2_GB1_22 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 52 187 + CB_GB1_6 C_GB1_22 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 188 CB_GB1_6 O_GB1_22 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 189 - CB_GB1_6 N_GB1_23 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 190 - CB_GB1_6 C_GB1_23 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 194 + CB_GB1_6 N_GB1_23 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 190 + CB_GB1_6 C_GB1_23 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 194 CB_GB1_6 O_GB1_23 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 195 - CB_GB1_6 N_GB1_24 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 196 - CB_GB1_6 C_GB1_24 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 200 + CB_GB1_6 N_GB1_24 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 196 + CB_GB1_6 C_GB1_24 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 200 CB_GB1_6 O_GB1_24 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 201 - CB_GB1_6 N_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 202 - CB_GB1_6 OG1_GB1_25 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 52 206 - CB_GB1_6 C_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 208 + CB_GB1_6 N_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 202 + CB_GB1_6 OG1_GB1_25 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 52 206 + CB_GB1_6 C_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 208 CB_GB1_6 O_GB1_25 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 209 - CB_GB1_6 N_GB1_26 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 210 - CB_GB1_6 C_GB1_26 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 214 + CB_GB1_6 N_GB1_26 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 210 + CB_GB1_6 C_GB1_26 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 214 CB_GB1_6 O_GB1_26 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 215 - CB_GB1_6 N_GB1_27 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 216 - CB_GB1_6 CD_GB1_27 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 221 - CB_GB1_6 OE1_GB1_27 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 52 222 - CB_GB1_6 OE2_GB1_27 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 52 223 - CB_GB1_6 C_GB1_27 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 224 + CB_GB1_6 N_GB1_27 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 216 + CB_GB1_6 CD_GB1_27 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 221 + CB_GB1_6 OE1_GB1_27 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 52 222 + CB_GB1_6 OE2_GB1_27 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 52 223 + CB_GB1_6 C_GB1_27 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 224 CB_GB1_6 O_GB1_27 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 225 - CB_GB1_6 N_GB1_28 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 226 - CB_GB1_6 NZ_GB1_28 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 233 - CB_GB1_6 C_GB1_28 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 234 + CB_GB1_6 N_GB1_28 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 226 + CB_GB1_6 NZ_GB1_28 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 233 + CB_GB1_6 C_GB1_28 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 234 CB_GB1_6 O_GB1_28 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 235 - CB_GB1_6 N_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 236 - CB_GB1_6 C_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 242 + CB_GB1_6 N_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 236 + CB_GB1_6 C_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 242 CB_GB1_6 O_GB1_29 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 243 - CB_GB1_6 N_GB1_30 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 244 - CB_GB1_6 C_GB1_30 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 254 + CB_GB1_6 N_GB1_30 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 244 + CB_GB1_6 C_GB1_30 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 254 CB_GB1_6 O_GB1_30 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 255 - CB_GB1_6 N_GB1_31 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 256 - CB_GB1_6 NZ_GB1_31 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 263 - CB_GB1_6 C_GB1_31 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 264 + CB_GB1_6 N_GB1_31 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 256 + CB_GB1_6 NZ_GB1_31 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 263 + CB_GB1_6 C_GB1_31 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 264 CB_GB1_6 O_GB1_31 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 265 - CB_GB1_6 N_GB1_32 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 266 - CB_GB1_6 CD_GB1_32 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 271 + CB_GB1_6 N_GB1_32 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 266 + CB_GB1_6 CD_GB1_32 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 271 CB_GB1_6 OE1_GB1_32 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 272 - CB_GB1_6 NE2_GB1_32 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 52 273 - CB_GB1_6 C_GB1_32 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 274 + CB_GB1_6 NE2_GB1_32 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 52 273 + CB_GB1_6 C_GB1_32 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 274 CB_GB1_6 O_GB1_32 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 275 - CB_GB1_6 N_GB1_33 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 276 - CB_GB1_6 OH_GB1_33 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 52 286 - CB_GB1_6 C_GB1_33 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 287 + CB_GB1_6 N_GB1_33 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 276 + CB_GB1_6 OH_GB1_33 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 52 286 + CB_GB1_6 C_GB1_33 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 287 CB_GB1_6 O_GB1_33 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 288 - CB_GB1_6 N_GB1_34 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 289 - CB_GB1_6 C_GB1_34 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 293 + CB_GB1_6 N_GB1_34 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 289 + CB_GB1_6 C_GB1_34 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 293 CB_GB1_6 O_GB1_34 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 294 - CB_GB1_6 N_GB1_35 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 295 - CB_GB1_6 CG_GB1_35 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 299 + CB_GB1_6 N_GB1_35 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 295 + CB_GB1_6 CG_GB1_35 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 299 CB_GB1_6 OD1_GB1_35 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 300 - CB_GB1_6 ND2_GB1_35 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 52 301 - CB_GB1_6 C_GB1_35 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 302 + CB_GB1_6 ND2_GB1_35 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 52 301 + CB_GB1_6 C_GB1_35 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 302 CB_GB1_6 O_GB1_35 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 303 - CB_GB1_6 N_GB1_36 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 304 - CB_GB1_6 CG_GB1_36 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 308 - CB_GB1_6 OD1_GB1_36 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 52 309 - CB_GB1_6 OD2_GB1_36 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 52 310 - CB_GB1_6 C_GB1_36 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 311 + CB_GB1_6 N_GB1_36 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 304 + CB_GB1_6 CG_GB1_36 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 308 + CB_GB1_6 OD1_GB1_36 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 52 309 + CB_GB1_6 OD2_GB1_36 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 52 310 + CB_GB1_6 C_GB1_36 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 311 CB_GB1_6 O_GB1_36 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 312 - CB_GB1_6 N_GB1_37 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 313 - CB_GB1_6 CG_GB1_37 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 317 + CB_GB1_6 N_GB1_37 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 313 + CB_GB1_6 CG_GB1_37 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 317 CB_GB1_6 OD1_GB1_37 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 318 - CB_GB1_6 ND2_GB1_37 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 52 319 - CB_GB1_6 C_GB1_37 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 320 + CB_GB1_6 ND2_GB1_37 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 52 319 + CB_GB1_6 C_GB1_37 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 320 CB_GB1_6 O_GB1_37 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 321 - CB_GB1_6 N_GB1_38 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 322 - CB_GB1_6 C_GB1_38 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 325 + CB_GB1_6 N_GB1_38 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 322 + CB_GB1_6 C_GB1_38 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 325 CB_GB1_6 O_GB1_38 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 326 - CB_GB1_6 N_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 327 - CB_GB1_6 C_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 333 + CB_GB1_6 N_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 327 + CB_GB1_6 C_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 333 CB_GB1_6 O_GB1_39 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 334 - CB_GB1_6 N_GB1_40 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 335 - CB_GB1_6 CG_GB1_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 339 - CB_GB1_6 OD1_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 52 340 - CB_GB1_6 OD2_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 52 341 - CB_GB1_6 C_GB1_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 342 + CB_GB1_6 N_GB1_40 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 335 + CB_GB1_6 CG_GB1_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 339 + CB_GB1_6 OD1_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 52 340 + CB_GB1_6 OD2_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 52 341 + CB_GB1_6 C_GB1_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 342 CB_GB1_6 O_GB1_40 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 343 - CB_GB1_6 N_GB1_41 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 344 - CB_GB1_6 C_GB1_41 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 347 + CB_GB1_6 N_GB1_41 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 344 + CB_GB1_6 C_GB1_41 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 347 CB_GB1_6 O_GB1_41 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 348 - CB_GB1_6 N_GB1_42 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 349 - CB_GB1_6 CD_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 354 - CB_GB1_6 OE1_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 52 355 - CB_GB1_6 OE2_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 52 356 - CB_GB1_6 C_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 357 + CB_GB1_6 N_GB1_42 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 349 + CB_GB1_6 CD_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 354 + CB_GB1_6 OE1_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 52 355 + CB_GB1_6 OE2_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 52 356 + CB_GB1_6 C_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 357 CB_GB1_6 O_GB1_42 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 358 - CB_GB1_6 N_GB1_43 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 359 - CB_GB1_6 NE1_GB1_43 1 0.000000e+00 9.937288e-06 ; 8.853117e-06 -9.937288e-06 1.0 1.0 1.0 1.0 False mg 7 52 366 - CB_GB1_6 C_GB1_43 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 372 + CB_GB1_6 N_GB1_43 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 359 + CB_GB1_6 NE1_GB1_43 1 0.000000e+00 9.937231e-06 ; 8.853066e-06 -9.937231e-06 1.0 1.0 1.0 1.0 False mg 7 52 366 + CB_GB1_6 C_GB1_43 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 372 CB_GB1_6 O_GB1_43 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 373 - CB_GB1_6 N_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 374 - CB_GB1_6 OG1_GB1_44 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 52 378 - CB_GB1_6 C_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 380 + CB_GB1_6 N_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 374 + CB_GB1_6 OG1_GB1_44 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 52 378 + CB_GB1_6 C_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 380 CB_GB1_6 O_GB1_44 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 381 - CB_GB1_6 N_GB1_45 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 382 - CB_GB1_6 OH_GB1_45 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 52 392 - CB_GB1_6 C_GB1_45 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 393 + CB_GB1_6 N_GB1_45 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 382 + CB_GB1_6 OH_GB1_45 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 52 392 + CB_GB1_6 C_GB1_45 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 393 CB_GB1_6 O_GB1_45 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 394 - CB_GB1_6 N_GB1_46 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 395 - CB_GB1_6 CG_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 399 - CB_GB1_6 OD1_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 52 400 - CB_GB1_6 OD2_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 52 401 - CB_GB1_6 C_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 402 + CB_GB1_6 N_GB1_46 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 395 + CB_GB1_6 CG_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 399 + CB_GB1_6 OD1_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 52 400 + CB_GB1_6 OD2_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 52 401 + CB_GB1_6 C_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 402 CB_GB1_6 O_GB1_46 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 403 - CB_GB1_6 N_GB1_47 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 404 - CB_GB1_6 CG_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 408 - CB_GB1_6 OD1_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 52 409 - CB_GB1_6 OD2_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 52 410 - CB_GB1_6 C_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 411 + CB_GB1_6 N_GB1_47 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 404 + CB_GB1_6 CG_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 408 + CB_GB1_6 OD1_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 52 409 + CB_GB1_6 OD2_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 52 410 + CB_GB1_6 C_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 411 CB_GB1_6 O_GB1_47 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 412 - CB_GB1_6 N_GB1_48 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 413 - CB_GB1_6 C_GB1_48 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 417 + CB_GB1_6 N_GB1_48 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 413 + CB_GB1_6 C_GB1_48 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 417 CB_GB1_6 O_GB1_48 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 418 - CB_GB1_6 N_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 419 - CB_GB1_6 OG1_GB1_49 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 52 423 - CB_GB1_6 C_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 425 + CB_GB1_6 N_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 419 + CB_GB1_6 OG1_GB1_49 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 52 423 + CB_GB1_6 C_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 425 CB_GB1_6 O_GB1_49 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 426 - CB_GB1_6 N_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 427 - CB_GB1_6 NZ_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 434 - CB_GB1_6 C_GB1_50 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 435 + CB_GB1_6 N_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 427 + CB_GB1_6 NZ_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 434 + CB_GB1_6 C_GB1_50 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 435 CB_GB1_6 O_GB1_50 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 436 - CB_GB1_6 N_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 437 - CB_GB1_6 OG1_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 52 441 - CB_GB1_6 C_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 443 + CB_GB1_6 N_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 437 + CB_GB1_6 OG1_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 52 441 + CB_GB1_6 C_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 443 CB_GB1_6 O_GB1_51 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 444 - CB_GB1_6 N_GB1_52 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 445 - CB_GB1_6 C_GB1_52 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 455 + CB_GB1_6 N_GB1_52 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 445 + CB_GB1_6 C_GB1_52 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 455 CB_GB1_6 O_GB1_52 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 456 - CB_GB1_6 N_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 457 - CB_GB1_6 OG1_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 52 461 - CB_GB1_6 C_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 463 + CB_GB1_6 N_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 457 + CB_GB1_6 OG1_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 52 461 + CB_GB1_6 C_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 463 CB_GB1_6 O_GB1_53 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 464 - CB_GB1_6 N_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 465 - CB_GB1_6 C_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 471 + CB_GB1_6 N_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 465 + CB_GB1_6 C_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 471 CB_GB1_6 O_GB1_54 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 472 - CB_GB1_6 N_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 473 - CB_GB1_6 OG1_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 52 477 - CB_GB1_6 C_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 479 + CB_GB1_6 N_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 473 + CB_GB1_6 OG1_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 52 477 + CB_GB1_6 C_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 479 CB_GB1_6 O_GB1_55 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 52 480 - CB_GB1_6 N_GB1_56 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 52 481 - CB_GB1_6 CD_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 486 - CB_GB1_6 OE1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 52 487 - CB_GB1_6 OE2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 52 488 - CB_GB1_6 C_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 52 489 - CB_GB1_6 O1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 52 490 - CB_GB1_6 O2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 52 491 - CG1_GB1_6 C_GB1_6 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 56 + CB_GB1_6 N_GB1_56 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 52 481 + CB_GB1_6 CD_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 486 + CB_GB1_6 OE1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 52 487 + CB_GB1_6 OE2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 52 488 + CB_GB1_6 C_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 52 489 + CB_GB1_6 O1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 52 490 + CB_GB1_6 O2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 52 491 + CG1_GB1_6 C_GB1_6 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 56 CG1_GB1_6 O_GB1_6 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 57 - CG1_GB1_6 N_GB1_7 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 58 - CG1_GB1_6 C_GB1_7 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 65 + CG1_GB1_6 N_GB1_7 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 58 + CG1_GB1_6 C_GB1_7 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 65 CG1_GB1_6 O_GB1_7 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 66 - CG1_GB1_6 N_GB1_8 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 67 - CG1_GB1_6 CG_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 71 + CG1_GB1_6 N_GB1_8 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 67 + CG1_GB1_6 CG_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 71 CG1_GB1_6 OD1_GB1_8 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 72 - CG1_GB1_6 ND2_GB1_8 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 53 73 - CG1_GB1_6 C_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 74 + CG1_GB1_6 ND2_GB1_8 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 53 73 + CG1_GB1_6 C_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 74 CG1_GB1_6 O_GB1_8 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 75 - CG1_GB1_6 N_GB1_9 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 76 - CG1_GB1_6 C_GB1_9 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 79 + CG1_GB1_6 N_GB1_9 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 76 + CG1_GB1_6 C_GB1_9 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 79 CG1_GB1_6 O_GB1_9 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 80 - CG1_GB1_6 N_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 81 - CG1_GB1_6 NZ_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 88 - CG1_GB1_6 C_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 89 + CG1_GB1_6 N_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 81 + CG1_GB1_6 NZ_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 88 + CG1_GB1_6 C_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 89 CG1_GB1_6 O_GB1_10 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 90 - CG1_GB1_6 N_GB1_11 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 91 - CG1_GB1_6 OG1_GB1_11 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 53 95 - CG1_GB1_6 C_GB1_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 97 + CG1_GB1_6 N_GB1_11 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 91 + CG1_GB1_6 OG1_GB1_11 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 53 95 + CG1_GB1_6 C_GB1_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 97 CG1_GB1_6 O_GB1_11 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 98 - CG1_GB1_6 N_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 99 - CG1_GB1_6 C_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 106 + CG1_GB1_6 N_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 99 + CG1_GB1_6 C_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 106 CG1_GB1_6 O_GB1_12 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 107 - CG1_GB1_6 N_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 108 - CG1_GB1_6 NZ_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 115 - CG1_GB1_6 C_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 116 + CG1_GB1_6 N_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 108 + CG1_GB1_6 NZ_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 115 + CG1_GB1_6 C_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 116 CG1_GB1_6 O_GB1_13 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 117 - CG1_GB1_6 N_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 118 - CG1_GB1_6 C_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 121 + CG1_GB1_6 N_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 118 + CG1_GB1_6 C_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 121 CG1_GB1_6 O_GB1_14 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 122 - CG1_GB1_6 N_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 123 - CG1_GB1_6 CD_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 128 - CG1_GB1_6 OE1_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 53 129 - CG1_GB1_6 OE2_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 53 130 - CG1_GB1_6 C_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 131 + CG1_GB1_6 N_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 123 + CG1_GB1_6 CD_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 128 + CG1_GB1_6 OE1_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 53 129 + CG1_GB1_6 OE2_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 53 130 + CG1_GB1_6 C_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 131 CG1_GB1_6 O_GB1_15 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 132 - CG1_GB1_6 N_GB1_16 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 133 - CG1_GB1_6 OG1_GB1_16 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 53 137 - CG1_GB1_6 C_GB1_16 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 139 + CG1_GB1_6 N_GB1_16 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 133 + CG1_GB1_6 OG1_GB1_16 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 53 137 + CG1_GB1_6 C_GB1_16 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 139 CG1_GB1_6 O_GB1_16 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 140 - CG1_GB1_6 N_GB1_17 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 141 - CG1_GB1_6 OG1_GB1_17 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 53 145 - CG1_GB1_6 C_GB1_17 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 147 + CG1_GB1_6 N_GB1_17 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 141 + CG1_GB1_6 OG1_GB1_17 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 53 145 + CG1_GB1_6 C_GB1_17 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 147 CG1_GB1_6 O_GB1_17 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 148 - CG1_GB1_6 N_GB1_18 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 149 - CG1_GB1_6 OG1_GB1_18 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 53 153 - CG1_GB1_6 C_GB1_18 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 155 + CG1_GB1_6 N_GB1_18 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 149 + CG1_GB1_6 OG1_GB1_18 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 53 153 + CG1_GB1_6 C_GB1_18 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 155 CG1_GB1_6 O_GB1_18 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 156 - CG1_GB1_6 N_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 157 - CG1_GB1_6 CD_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 162 - CG1_GB1_6 OE1_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 53 163 - CG1_GB1_6 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 53 164 - CG1_GB1_6 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 165 + CG1_GB1_6 N_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 157 + CG1_GB1_6 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 162 + CG1_GB1_6 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 53 163 + CG1_GB1_6 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 53 164 + CG1_GB1_6 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 165 CG1_GB1_6 O_GB1_19 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 166 - CG1_GB1_6 N_GB1_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 167 - CG1_GB1_6 C_GB1_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 171 + CG1_GB1_6 N_GB1_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 167 + CG1_GB1_6 C_GB1_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 171 CG1_GB1_6 O_GB1_20 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 172 - CG1_GB1_6 N_GB1_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 173 - CG1_GB1_6 C_GB1_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 179 + CG1_GB1_6 N_GB1_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 173 + CG1_GB1_6 C_GB1_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 179 CG1_GB1_6 O_GB1_21 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 180 - CG1_GB1_6 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 181 - CG1_GB1_6 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 185 - CG1_GB1_6 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 53 186 - CG1_GB1_6 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 53 187 - CG1_GB1_6 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 188 + CG1_GB1_6 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 181 + CG1_GB1_6 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 185 + CG1_GB1_6 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 53 186 + CG1_GB1_6 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 53 187 + CG1_GB1_6 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 188 CG1_GB1_6 O_GB1_22 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 189 - CG1_GB1_6 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 190 - CG1_GB1_6 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 194 + CG1_GB1_6 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 190 + CG1_GB1_6 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 194 CG1_GB1_6 O_GB1_23 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 195 - CG1_GB1_6 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 196 - CG1_GB1_6 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 200 + CG1_GB1_6 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 196 + CG1_GB1_6 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 200 CG1_GB1_6 O_GB1_24 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 201 - CG1_GB1_6 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 202 - CG1_GB1_6 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 53 206 - CG1_GB1_6 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 208 + CG1_GB1_6 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 202 + CG1_GB1_6 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 53 206 + CG1_GB1_6 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 208 CG1_GB1_6 O_GB1_25 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 209 - CG1_GB1_6 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 210 - CG1_GB1_6 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 214 + CG1_GB1_6 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 210 + CG1_GB1_6 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 214 CG1_GB1_6 O_GB1_26 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 215 - CG1_GB1_6 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 216 - CG1_GB1_6 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 221 - CG1_GB1_6 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 53 222 - CG1_GB1_6 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 53 223 - CG1_GB1_6 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 224 + CG1_GB1_6 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 216 + CG1_GB1_6 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 221 + CG1_GB1_6 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 53 222 + CG1_GB1_6 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 53 223 + CG1_GB1_6 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 224 CG1_GB1_6 O_GB1_27 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 225 - CG1_GB1_6 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 226 - CG1_GB1_6 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 233 - CG1_GB1_6 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 234 + CG1_GB1_6 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 226 + CG1_GB1_6 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 233 + CG1_GB1_6 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 234 CG1_GB1_6 O_GB1_28 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 235 - CG1_GB1_6 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 236 - CG1_GB1_6 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 242 + CG1_GB1_6 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 236 + CG1_GB1_6 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 242 CG1_GB1_6 O_GB1_29 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 243 - CG1_GB1_6 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 244 - CG1_GB1_6 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 254 + CG1_GB1_6 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 244 + CG1_GB1_6 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 254 CG1_GB1_6 O_GB1_30 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 255 - CG1_GB1_6 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 256 - CG1_GB1_6 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 263 - CG1_GB1_6 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 264 + CG1_GB1_6 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 256 + CG1_GB1_6 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 263 + CG1_GB1_6 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 264 CG1_GB1_6 O_GB1_31 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 265 - CG1_GB1_6 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 266 - CG1_GB1_6 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 271 + CG1_GB1_6 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 266 + CG1_GB1_6 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 271 CG1_GB1_6 OE1_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 272 - CG1_GB1_6 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 53 273 - CG1_GB1_6 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 274 + CG1_GB1_6 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 53 273 + CG1_GB1_6 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 274 CG1_GB1_6 O_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 275 - CG1_GB1_6 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 276 - CG1_GB1_6 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 53 286 - CG1_GB1_6 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 287 + CG1_GB1_6 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 276 + CG1_GB1_6 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 53 286 + CG1_GB1_6 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 287 CG1_GB1_6 O_GB1_33 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 288 - CG1_GB1_6 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 289 - CG1_GB1_6 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 293 + CG1_GB1_6 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 289 + CG1_GB1_6 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 293 CG1_GB1_6 O_GB1_34 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 294 - CG1_GB1_6 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 295 - CG1_GB1_6 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 299 + CG1_GB1_6 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 295 + CG1_GB1_6 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 299 CG1_GB1_6 OD1_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 300 - CG1_GB1_6 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 53 301 - CG1_GB1_6 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 302 + CG1_GB1_6 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 53 301 + CG1_GB1_6 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 302 CG1_GB1_6 O_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 303 - CG1_GB1_6 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 304 - CG1_GB1_6 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 308 - CG1_GB1_6 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 53 309 - CG1_GB1_6 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 53 310 - CG1_GB1_6 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 311 + CG1_GB1_6 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 304 + CG1_GB1_6 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 308 + CG1_GB1_6 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 53 309 + CG1_GB1_6 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 53 310 + CG1_GB1_6 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 311 CG1_GB1_6 O_GB1_36 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 312 - CG1_GB1_6 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 313 - CG1_GB1_6 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 317 + CG1_GB1_6 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 313 + CG1_GB1_6 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 317 CG1_GB1_6 OD1_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 318 - CG1_GB1_6 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 53 319 - CG1_GB1_6 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 320 + CG1_GB1_6 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 53 319 + CG1_GB1_6 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 320 CG1_GB1_6 O_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 321 - CG1_GB1_6 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 322 - CG1_GB1_6 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 325 + CG1_GB1_6 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 322 + CG1_GB1_6 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 325 CG1_GB1_6 O_GB1_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 326 - CG1_GB1_6 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 327 - CG1_GB1_6 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 333 + CG1_GB1_6 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 327 + CG1_GB1_6 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 333 CG1_GB1_6 O_GB1_39 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 334 - CG1_GB1_6 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 335 - CG1_GB1_6 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 339 - CG1_GB1_6 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 53 340 - CG1_GB1_6 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 53 341 - CG1_GB1_6 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 342 + CG1_GB1_6 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 335 + CG1_GB1_6 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 339 + CG1_GB1_6 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 53 340 + CG1_GB1_6 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 53 341 + CG1_GB1_6 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 342 CG1_GB1_6 O_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 343 - CG1_GB1_6 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 344 - CG1_GB1_6 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 347 + CG1_GB1_6 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 344 + CG1_GB1_6 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 347 CG1_GB1_6 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 348 - CG1_GB1_6 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 349 - CG1_GB1_6 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 354 - CG1_GB1_6 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 53 355 - CG1_GB1_6 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 53 356 - CG1_GB1_6 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 357 + CG1_GB1_6 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 349 + CG1_GB1_6 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 354 + CG1_GB1_6 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 53 355 + CG1_GB1_6 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 53 356 + CG1_GB1_6 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 357 CG1_GB1_6 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 358 - CG1_GB1_6 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 359 - CG1_GB1_6 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 53 366 - CG1_GB1_6 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 372 + CG1_GB1_6 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 359 + CG1_GB1_6 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 53 366 + CG1_GB1_6 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 372 CG1_GB1_6 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 373 - CG1_GB1_6 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 374 - CG1_GB1_6 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 53 378 - CG1_GB1_6 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 380 + CG1_GB1_6 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 374 + CG1_GB1_6 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 53 378 + CG1_GB1_6 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 380 CG1_GB1_6 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 381 - CG1_GB1_6 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 382 - CG1_GB1_6 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 53 392 - CG1_GB1_6 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 393 + CG1_GB1_6 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 382 + CG1_GB1_6 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 53 392 + CG1_GB1_6 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 393 CG1_GB1_6 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 394 - CG1_GB1_6 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 395 - CG1_GB1_6 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 399 - CG1_GB1_6 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 53 400 - CG1_GB1_6 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 53 401 - CG1_GB1_6 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 402 + CG1_GB1_6 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 395 + CG1_GB1_6 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 399 + CG1_GB1_6 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 53 400 + CG1_GB1_6 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 53 401 + CG1_GB1_6 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 402 CG1_GB1_6 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 403 - CG1_GB1_6 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 404 - CG1_GB1_6 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 408 - CG1_GB1_6 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 53 409 - CG1_GB1_6 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 53 410 - CG1_GB1_6 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 411 + CG1_GB1_6 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 404 + CG1_GB1_6 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 408 + CG1_GB1_6 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 53 409 + CG1_GB1_6 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 53 410 + CG1_GB1_6 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 411 CG1_GB1_6 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 412 - CG1_GB1_6 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 413 - CG1_GB1_6 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 417 + CG1_GB1_6 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 413 + CG1_GB1_6 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 417 CG1_GB1_6 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 418 - CG1_GB1_6 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 419 - CG1_GB1_6 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 53 423 - CG1_GB1_6 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 425 + CG1_GB1_6 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 419 + CG1_GB1_6 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 53 423 + CG1_GB1_6 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 425 CG1_GB1_6 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 426 - CG1_GB1_6 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 427 - CG1_GB1_6 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 434 - CG1_GB1_6 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 435 + CG1_GB1_6 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 427 + CG1_GB1_6 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 434 + CG1_GB1_6 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 435 CG1_GB1_6 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 436 - CG1_GB1_6 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 437 - CG1_GB1_6 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 53 441 - CG1_GB1_6 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 443 + CG1_GB1_6 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 437 + CG1_GB1_6 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 53 441 + CG1_GB1_6 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 443 CG1_GB1_6 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 444 - CG1_GB1_6 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 445 - CG1_GB1_6 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 455 + CG1_GB1_6 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 445 + CG1_GB1_6 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 455 CG1_GB1_6 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 456 - CG1_GB1_6 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 457 - CG1_GB1_6 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 53 461 - CG1_GB1_6 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 463 + CG1_GB1_6 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 457 + CG1_GB1_6 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 53 461 + CG1_GB1_6 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 463 CG1_GB1_6 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 464 - CG1_GB1_6 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 465 - CG1_GB1_6 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 471 + CG1_GB1_6 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 465 + CG1_GB1_6 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 471 CG1_GB1_6 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 472 - CG1_GB1_6 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 473 - CG1_GB1_6 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 53 477 - CG1_GB1_6 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 479 + CG1_GB1_6 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 473 + CG1_GB1_6 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 53 477 + CG1_GB1_6 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 479 CG1_GB1_6 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 53 480 - CG1_GB1_6 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 53 481 - CG1_GB1_6 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 486 - CG1_GB1_6 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 53 487 - CG1_GB1_6 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 53 488 - CG1_GB1_6 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 53 489 - CG1_GB1_6 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 53 490 - CG1_GB1_6 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 53 491 - CG2_GB1_6 C_GB1_6 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 56 + CG1_GB1_6 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 53 481 + CG1_GB1_6 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 486 + CG1_GB1_6 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 53 487 + CG1_GB1_6 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 53 488 + CG1_GB1_6 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 53 489 + CG1_GB1_6 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 53 490 + CG1_GB1_6 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 53 491 + CG2_GB1_6 C_GB1_6 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 56 CG2_GB1_6 O_GB1_6 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 57 - CG2_GB1_6 N_GB1_7 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 58 - CG2_GB1_6 C_GB1_7 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 65 + CG2_GB1_6 N_GB1_7 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 58 + CG2_GB1_6 C_GB1_7 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 65 CG2_GB1_6 O_GB1_7 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 66 - CG2_GB1_6 N_GB1_8 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 67 - CG2_GB1_6 CG_GB1_8 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 71 + CG2_GB1_6 N_GB1_8 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 67 + CG2_GB1_6 CG_GB1_8 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 71 CG2_GB1_6 OD1_GB1_8 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 72 - CG2_GB1_6 ND2_GB1_8 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 54 73 - CG2_GB1_6 C_GB1_8 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 74 + CG2_GB1_6 ND2_GB1_8 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 54 73 + CG2_GB1_6 C_GB1_8 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 74 CG2_GB1_6 O_GB1_8 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 75 - CG2_GB1_6 N_GB1_9 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 76 - CG2_GB1_6 C_GB1_9 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 79 + CG2_GB1_6 N_GB1_9 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 76 + CG2_GB1_6 C_GB1_9 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 79 CG2_GB1_6 O_GB1_9 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 80 - CG2_GB1_6 N_GB1_10 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 81 - CG2_GB1_6 NZ_GB1_10 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 88 - CG2_GB1_6 C_GB1_10 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 89 + CG2_GB1_6 N_GB1_10 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 81 + CG2_GB1_6 NZ_GB1_10 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 88 + CG2_GB1_6 C_GB1_10 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 89 CG2_GB1_6 O_GB1_10 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 90 - CG2_GB1_6 N_GB1_11 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 91 - CG2_GB1_6 OG1_GB1_11 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 54 95 - CG2_GB1_6 C_GB1_11 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 97 + CG2_GB1_6 N_GB1_11 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 91 + CG2_GB1_6 OG1_GB1_11 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 54 95 + CG2_GB1_6 C_GB1_11 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 97 CG2_GB1_6 O_GB1_11 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 98 - CG2_GB1_6 N_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 99 - CG2_GB1_6 C_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 106 + CG2_GB1_6 N_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 99 + CG2_GB1_6 C_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 106 CG2_GB1_6 O_GB1_12 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 107 - CG2_GB1_6 N_GB1_13 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 108 - CG2_GB1_6 NZ_GB1_13 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 115 - CG2_GB1_6 C_GB1_13 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 116 + CG2_GB1_6 N_GB1_13 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 108 + CG2_GB1_6 NZ_GB1_13 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 115 + CG2_GB1_6 C_GB1_13 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 116 CG2_GB1_6 O_GB1_13 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 117 - CG2_GB1_6 N_GB1_14 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 118 - CG2_GB1_6 C_GB1_14 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 121 + CG2_GB1_6 N_GB1_14 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 118 + CG2_GB1_6 C_GB1_14 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 121 CG2_GB1_6 O_GB1_14 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 122 - CG2_GB1_6 N_GB1_15 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 123 - CG2_GB1_6 CD_GB1_15 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 128 + CG2_GB1_6 N_GB1_15 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 123 + CG2_GB1_6 CD_GB1_15 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 128 CG2_GB1_6 OE1_GB1_15 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 54 129 CG2_GB1_6 OE2_GB1_15 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 54 130 - CG2_GB1_6 C_GB1_15 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 131 + CG2_GB1_6 C_GB1_15 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 131 CG2_GB1_6 O_GB1_15 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 132 - CG2_GB1_6 N_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 133 - CG2_GB1_6 OG1_GB1_16 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 54 137 - CG2_GB1_6 C_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 139 + CG2_GB1_6 N_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 133 + CG2_GB1_6 OG1_GB1_16 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 54 137 + CG2_GB1_6 C_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 139 CG2_GB1_6 O_GB1_16 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 140 - CG2_GB1_6 N_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 141 - CG2_GB1_6 OG1_GB1_17 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 54 145 - CG2_GB1_6 C_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 147 + CG2_GB1_6 N_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 141 + CG2_GB1_6 OG1_GB1_17 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 54 145 + CG2_GB1_6 C_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 147 CG2_GB1_6 O_GB1_17 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 148 - CG2_GB1_6 N_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 149 - CG2_GB1_6 OG1_GB1_18 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 54 153 - CG2_GB1_6 C_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 155 + CG2_GB1_6 N_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 149 + CG2_GB1_6 OG1_GB1_18 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 54 153 + CG2_GB1_6 C_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 155 CG2_GB1_6 O_GB1_18 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 156 - CG2_GB1_6 N_GB1_19 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 157 - CG2_GB1_6 CD_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 162 + CG2_GB1_6 N_GB1_19 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 157 + CG2_GB1_6 CD_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 162 CG2_GB1_6 OE1_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 54 163 CG2_GB1_6 OE2_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 54 164 - CG2_GB1_6 C_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 165 + CG2_GB1_6 C_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 165 CG2_GB1_6 O_GB1_19 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 166 - CG2_GB1_6 N_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 167 - CG2_GB1_6 C_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 171 + CG2_GB1_6 N_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 167 + CG2_GB1_6 C_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 171 CG2_GB1_6 O_GB1_20 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 172 - CG2_GB1_6 N_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 173 - CG2_GB1_6 C_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 179 + CG2_GB1_6 N_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 173 + CG2_GB1_6 C_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 179 CG2_GB1_6 O_GB1_21 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 180 - CG2_GB1_6 N_GB1_22 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 181 - CG2_GB1_6 CG_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 185 + CG2_GB1_6 N_GB1_22 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 181 + CG2_GB1_6 CG_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 185 CG2_GB1_6 OD1_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 54 186 CG2_GB1_6 OD2_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 54 187 - CG2_GB1_6 C_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 188 + CG2_GB1_6 C_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 188 CG2_GB1_6 O_GB1_22 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 189 - CG2_GB1_6 N_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 190 - CG2_GB1_6 C_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 194 + CG2_GB1_6 N_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 190 + CG2_GB1_6 C_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 194 CG2_GB1_6 O_GB1_23 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 195 - CG2_GB1_6 N_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 196 - CG2_GB1_6 C_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 200 + CG2_GB1_6 N_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 196 + CG2_GB1_6 C_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 200 CG2_GB1_6 O_GB1_24 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 201 - CG2_GB1_6 N_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 202 - CG2_GB1_6 OG1_GB1_25 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 54 206 - CG2_GB1_6 C_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 208 + CG2_GB1_6 N_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 202 + CG2_GB1_6 OG1_GB1_25 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 54 206 + CG2_GB1_6 C_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 208 CG2_GB1_6 O_GB1_25 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 209 - CG2_GB1_6 N_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 210 - CG2_GB1_6 C_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 214 + CG2_GB1_6 N_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 210 + CG2_GB1_6 C_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 214 CG2_GB1_6 O_GB1_26 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 215 - CG2_GB1_6 N_GB1_27 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 216 - CG2_GB1_6 CD_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 221 + CG2_GB1_6 N_GB1_27 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 216 + CG2_GB1_6 CD_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 221 CG2_GB1_6 OE1_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 54 222 CG2_GB1_6 OE2_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 54 223 - CG2_GB1_6 C_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 224 + CG2_GB1_6 C_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 224 CG2_GB1_6 O_GB1_27 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 225 - CG2_GB1_6 N_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 226 - CG2_GB1_6 NZ_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 233 - CG2_GB1_6 C_GB1_28 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 234 + CG2_GB1_6 N_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 226 + CG2_GB1_6 NZ_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 233 + CG2_GB1_6 C_GB1_28 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 234 CG2_GB1_6 O_GB1_28 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 235 - CG2_GB1_6 N_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 236 - CG2_GB1_6 C_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 242 + CG2_GB1_6 N_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 236 + CG2_GB1_6 C_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 242 CG2_GB1_6 O_GB1_29 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 243 - CG2_GB1_6 N_GB1_30 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 244 - CG2_GB1_6 C_GB1_30 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 254 + CG2_GB1_6 N_GB1_30 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 244 + CG2_GB1_6 C_GB1_30 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 254 CG2_GB1_6 O_GB1_30 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 255 - CG2_GB1_6 N_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 256 - CG2_GB1_6 NZ_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 263 - CG2_GB1_6 C_GB1_31 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 264 + CG2_GB1_6 N_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 256 + CG2_GB1_6 NZ_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 263 + CG2_GB1_6 C_GB1_31 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 264 CG2_GB1_6 O_GB1_31 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 265 - CG2_GB1_6 N_GB1_32 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 266 - CG2_GB1_6 CD_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 271 + CG2_GB1_6 N_GB1_32 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 266 + CG2_GB1_6 CD_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 271 CG2_GB1_6 OE1_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 272 - CG2_GB1_6 NE2_GB1_32 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 54 273 - CG2_GB1_6 C_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 274 + CG2_GB1_6 NE2_GB1_32 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 54 273 + CG2_GB1_6 C_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 274 CG2_GB1_6 O_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 275 - CG2_GB1_6 N_GB1_33 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 276 - CG2_GB1_6 OH_GB1_33 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 54 286 - CG2_GB1_6 C_GB1_33 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 287 + CG2_GB1_6 N_GB1_33 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 276 + CG2_GB1_6 OH_GB1_33 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 54 286 + CG2_GB1_6 C_GB1_33 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 287 CG2_GB1_6 O_GB1_33 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 288 - CG2_GB1_6 N_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 289 - CG2_GB1_6 C_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 293 + CG2_GB1_6 N_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 289 + CG2_GB1_6 C_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 293 CG2_GB1_6 O_GB1_34 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 294 - CG2_GB1_6 N_GB1_35 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 295 - CG2_GB1_6 CG_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 299 + CG2_GB1_6 N_GB1_35 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 295 + CG2_GB1_6 CG_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 299 CG2_GB1_6 OD1_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 300 - CG2_GB1_6 ND2_GB1_35 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 54 301 - CG2_GB1_6 C_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 302 + CG2_GB1_6 ND2_GB1_35 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 54 301 + CG2_GB1_6 C_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 302 CG2_GB1_6 O_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 303 - CG2_GB1_6 N_GB1_36 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 304 - CG2_GB1_6 CG_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 308 + CG2_GB1_6 N_GB1_36 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 304 + CG2_GB1_6 CG_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 308 CG2_GB1_6 OD1_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 54 309 CG2_GB1_6 OD2_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 54 310 - CG2_GB1_6 C_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 311 + CG2_GB1_6 C_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 311 CG2_GB1_6 O_GB1_36 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 312 - CG2_GB1_6 N_GB1_37 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 313 - CG2_GB1_6 CG_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 317 + CG2_GB1_6 N_GB1_37 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 313 + CG2_GB1_6 CG_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 317 CG2_GB1_6 OD1_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 318 - CG2_GB1_6 ND2_GB1_37 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 54 319 - CG2_GB1_6 C_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 320 + CG2_GB1_6 ND2_GB1_37 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 54 319 + CG2_GB1_6 C_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 320 CG2_GB1_6 O_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 321 - CG2_GB1_6 N_GB1_38 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 322 - CG2_GB1_6 C_GB1_38 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 325 + CG2_GB1_6 N_GB1_38 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 322 + CG2_GB1_6 C_GB1_38 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 325 CG2_GB1_6 O_GB1_38 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 326 - CG2_GB1_6 N_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 327 - CG2_GB1_6 C_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 333 + CG2_GB1_6 N_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 327 + CG2_GB1_6 C_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 333 CG2_GB1_6 O_GB1_39 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 334 - CG2_GB1_6 N_GB1_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 335 - CG2_GB1_6 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 339 + CG2_GB1_6 N_GB1_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 335 + CG2_GB1_6 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 339 CG2_GB1_6 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 54 340 CG2_GB1_6 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 54 341 - CG2_GB1_6 C_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 342 + CG2_GB1_6 C_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 342 CG2_GB1_6 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 343 - CG2_GB1_6 N_GB1_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 344 - CG2_GB1_6 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 347 + CG2_GB1_6 N_GB1_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 344 + CG2_GB1_6 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 347 CG2_GB1_6 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 348 - CG2_GB1_6 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 349 - CG2_GB1_6 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 354 + CG2_GB1_6 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 349 + CG2_GB1_6 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 354 CG2_GB1_6 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 54 355 CG2_GB1_6 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 54 356 - CG2_GB1_6 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 357 + CG2_GB1_6 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 357 CG2_GB1_6 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 358 - CG2_GB1_6 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 359 - CG2_GB1_6 NE1_GB1_43 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.0 1.0 1.0 1.0 False mg 7 54 366 - CG2_GB1_6 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 372 + CG2_GB1_6 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 359 + CG2_GB1_6 NE1_GB1_43 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.0 1.0 1.0 1.0 False mg 7 54 366 + CG2_GB1_6 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 372 CG2_GB1_6 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 373 - CG2_GB1_6 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 374 - CG2_GB1_6 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 54 378 - CG2_GB1_6 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 380 + CG2_GB1_6 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 374 + CG2_GB1_6 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 54 378 + CG2_GB1_6 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 380 CG2_GB1_6 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 381 - CG2_GB1_6 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 382 - CG2_GB1_6 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 54 392 - CG2_GB1_6 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 393 + CG2_GB1_6 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 382 + CG2_GB1_6 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 54 392 + CG2_GB1_6 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 393 CG2_GB1_6 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 394 - CG2_GB1_6 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 395 - CG2_GB1_6 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 399 + CG2_GB1_6 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 395 + CG2_GB1_6 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 399 CG2_GB1_6 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 54 400 CG2_GB1_6 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 54 401 - CG2_GB1_6 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 402 + CG2_GB1_6 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 402 CG2_GB1_6 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 403 - CG2_GB1_6 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 404 - CG2_GB1_6 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 408 + CG2_GB1_6 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 404 + CG2_GB1_6 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 408 CG2_GB1_6 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 54 409 CG2_GB1_6 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 54 410 - CG2_GB1_6 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 411 + CG2_GB1_6 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 411 CG2_GB1_6 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 412 - CG2_GB1_6 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 413 - CG2_GB1_6 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 417 + CG2_GB1_6 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 413 + CG2_GB1_6 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 417 CG2_GB1_6 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 418 - CG2_GB1_6 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 419 - CG2_GB1_6 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 54 423 - CG2_GB1_6 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 425 + CG2_GB1_6 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 419 + CG2_GB1_6 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 54 423 + CG2_GB1_6 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 425 CG2_GB1_6 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 426 - CG2_GB1_6 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 427 - CG2_GB1_6 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 434 - CG2_GB1_6 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 435 + CG2_GB1_6 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 427 + CG2_GB1_6 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 434 + CG2_GB1_6 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 435 CG2_GB1_6 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 436 - CG2_GB1_6 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 437 - CG2_GB1_6 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 54 441 - CG2_GB1_6 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 443 + CG2_GB1_6 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 437 + CG2_GB1_6 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 54 441 + CG2_GB1_6 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 443 CG2_GB1_6 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 444 - CG2_GB1_6 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 445 - CG2_GB1_6 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 455 + CG2_GB1_6 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 445 + CG2_GB1_6 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 455 CG2_GB1_6 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 456 - CG2_GB1_6 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 457 - CG2_GB1_6 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 54 461 - CG2_GB1_6 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 463 + CG2_GB1_6 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 457 + CG2_GB1_6 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 54 461 + CG2_GB1_6 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 463 CG2_GB1_6 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 464 - CG2_GB1_6 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 465 - CG2_GB1_6 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 471 + CG2_GB1_6 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 465 + CG2_GB1_6 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 471 CG2_GB1_6 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 472 - CG2_GB1_6 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 473 - CG2_GB1_6 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 54 477 - CG2_GB1_6 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 479 + CG2_GB1_6 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 473 + CG2_GB1_6 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 54 477 + CG2_GB1_6 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 479 CG2_GB1_6 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 54 480 - CG2_GB1_6 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 54 481 - CG2_GB1_6 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 486 + CG2_GB1_6 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 54 481 + CG2_GB1_6 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 486 CG2_GB1_6 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 54 487 CG2_GB1_6 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 54 488 - CG2_GB1_6 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 54 489 + CG2_GB1_6 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 54 489 CG2_GB1_6 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 54 490 CG2_GB1_6 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 54 491 - CD_GB1_6 C_GB1_6 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 56 + CD_GB1_6 C_GB1_6 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 56 CD_GB1_6 O_GB1_6 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 57 - CD_GB1_6 N_GB1_7 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 58 - CD_GB1_6 C_GB1_7 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 65 + CD_GB1_6 N_GB1_7 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 58 + CD_GB1_6 C_GB1_7 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 65 CD_GB1_6 O_GB1_7 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 66 - CD_GB1_6 N_GB1_8 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 67 - CD_GB1_6 CG_GB1_8 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 71 + CD_GB1_6 N_GB1_8 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 67 + CD_GB1_6 CG_GB1_8 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 71 CD_GB1_6 OD1_GB1_8 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 72 - CD_GB1_6 ND2_GB1_8 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 55 73 - CD_GB1_6 C_GB1_8 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 74 + CD_GB1_6 ND2_GB1_8 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 55 73 + CD_GB1_6 C_GB1_8 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 74 CD_GB1_6 O_GB1_8 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 75 - CD_GB1_6 N_GB1_9 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 76 - CD_GB1_6 C_GB1_9 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 79 + CD_GB1_6 N_GB1_9 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 76 + CD_GB1_6 C_GB1_9 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 79 CD_GB1_6 O_GB1_9 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 80 - CD_GB1_6 N_GB1_10 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 81 - CD_GB1_6 NZ_GB1_10 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 88 - CD_GB1_6 C_GB1_10 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 89 + CD_GB1_6 N_GB1_10 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 81 + CD_GB1_6 NZ_GB1_10 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 88 + CD_GB1_6 C_GB1_10 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 89 CD_GB1_6 O_GB1_10 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 90 - CD_GB1_6 N_GB1_11 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 91 - CD_GB1_6 OG1_GB1_11 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 55 95 - CD_GB1_6 C_GB1_11 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 97 + CD_GB1_6 N_GB1_11 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 91 + CD_GB1_6 OG1_GB1_11 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 55 95 + CD_GB1_6 C_GB1_11 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 97 CD_GB1_6 O_GB1_11 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 98 - CD_GB1_6 N_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 99 - CD_GB1_6 C_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 106 + CD_GB1_6 N_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 99 + CD_GB1_6 C_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 106 CD_GB1_6 O_GB1_12 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 107 - CD_GB1_6 N_GB1_13 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 108 - CD_GB1_6 NZ_GB1_13 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 115 - CD_GB1_6 C_GB1_13 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 116 + CD_GB1_6 N_GB1_13 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 108 + CD_GB1_6 NZ_GB1_13 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 115 + CD_GB1_6 C_GB1_13 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 116 CD_GB1_6 O_GB1_13 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 117 - CD_GB1_6 N_GB1_14 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 118 - CD_GB1_6 C_GB1_14 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 121 + CD_GB1_6 N_GB1_14 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 118 + CD_GB1_6 C_GB1_14 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 121 CD_GB1_6 O_GB1_14 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 122 - CD_GB1_6 N_GB1_15 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 123 - CD_GB1_6 CD_GB1_15 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 128 + CD_GB1_6 N_GB1_15 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 123 + CD_GB1_6 CD_GB1_15 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 128 CD_GB1_6 OE1_GB1_15 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 55 129 CD_GB1_6 OE2_GB1_15 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 55 130 - CD_GB1_6 C_GB1_15 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 131 + CD_GB1_6 C_GB1_15 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 131 CD_GB1_6 O_GB1_15 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 132 - CD_GB1_6 N_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 133 - CD_GB1_6 OG1_GB1_16 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 55 137 - CD_GB1_6 C_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 139 + CD_GB1_6 N_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 133 + CD_GB1_6 OG1_GB1_16 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 55 137 + CD_GB1_6 C_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 139 CD_GB1_6 O_GB1_16 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 140 - CD_GB1_6 N_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 141 - CD_GB1_6 OG1_GB1_17 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 55 145 - CD_GB1_6 C_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 147 + CD_GB1_6 N_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 141 + CD_GB1_6 OG1_GB1_17 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 55 145 + CD_GB1_6 C_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 147 CD_GB1_6 O_GB1_17 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 148 - CD_GB1_6 N_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 149 - CD_GB1_6 OG1_GB1_18 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 55 153 - CD_GB1_6 C_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 155 + CD_GB1_6 N_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 149 + CD_GB1_6 OG1_GB1_18 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 55 153 + CD_GB1_6 C_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 155 CD_GB1_6 O_GB1_18 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 156 - CD_GB1_6 N_GB1_19 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 157 - CD_GB1_6 CD_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 162 + CD_GB1_6 N_GB1_19 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 157 + CD_GB1_6 CD_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 162 CD_GB1_6 OE1_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 55 163 CD_GB1_6 OE2_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 55 164 - CD_GB1_6 C_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 165 + CD_GB1_6 C_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 165 CD_GB1_6 O_GB1_19 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 166 - CD_GB1_6 N_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 167 - CD_GB1_6 C_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 171 + CD_GB1_6 N_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 167 + CD_GB1_6 C_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 171 CD_GB1_6 O_GB1_20 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 172 - CD_GB1_6 N_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 173 - CD_GB1_6 C_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 179 + CD_GB1_6 N_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 173 + CD_GB1_6 C_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 179 CD_GB1_6 O_GB1_21 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 180 - CD_GB1_6 N_GB1_22 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 181 - CD_GB1_6 CG_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 185 + CD_GB1_6 N_GB1_22 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 181 + CD_GB1_6 CG_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 185 CD_GB1_6 OD1_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 55 186 CD_GB1_6 OD2_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 55 187 - CD_GB1_6 C_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 188 + CD_GB1_6 C_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 188 CD_GB1_6 O_GB1_22 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 189 - CD_GB1_6 N_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 190 - CD_GB1_6 C_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 194 + CD_GB1_6 N_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 190 + CD_GB1_6 C_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 194 CD_GB1_6 O_GB1_23 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 195 - CD_GB1_6 N_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 196 - CD_GB1_6 C_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 200 + CD_GB1_6 N_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 196 + CD_GB1_6 C_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 200 CD_GB1_6 O_GB1_24 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 201 - CD_GB1_6 N_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 202 - CD_GB1_6 OG1_GB1_25 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 55 206 - CD_GB1_6 C_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 208 + CD_GB1_6 N_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 202 + CD_GB1_6 OG1_GB1_25 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 55 206 + CD_GB1_6 C_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 208 CD_GB1_6 O_GB1_25 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 209 - CD_GB1_6 N_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 210 - CD_GB1_6 C_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 214 + CD_GB1_6 N_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 210 + CD_GB1_6 C_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 214 CD_GB1_6 O_GB1_26 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 215 - CD_GB1_6 N_GB1_27 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 216 - CD_GB1_6 CD_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 221 + CD_GB1_6 N_GB1_27 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 216 + CD_GB1_6 CD_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 221 CD_GB1_6 OE1_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 55 222 CD_GB1_6 OE2_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 55 223 - CD_GB1_6 C_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 224 + CD_GB1_6 C_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 224 CD_GB1_6 O_GB1_27 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 225 - CD_GB1_6 N_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 226 - CD_GB1_6 NZ_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 233 - CD_GB1_6 C_GB1_28 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 234 + CD_GB1_6 N_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 226 + CD_GB1_6 NZ_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 233 + CD_GB1_6 C_GB1_28 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 234 CD_GB1_6 O_GB1_28 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 235 - CD_GB1_6 N_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 236 - CD_GB1_6 C_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 242 + CD_GB1_6 N_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 236 + CD_GB1_6 C_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 242 CD_GB1_6 O_GB1_29 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 243 - CD_GB1_6 N_GB1_30 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 244 - CD_GB1_6 C_GB1_30 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 254 + CD_GB1_6 N_GB1_30 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 244 + CD_GB1_6 C_GB1_30 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 254 CD_GB1_6 O_GB1_30 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 255 - CD_GB1_6 N_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 256 - CD_GB1_6 NZ_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 263 - CD_GB1_6 C_GB1_31 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 264 + CD_GB1_6 N_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 256 + CD_GB1_6 NZ_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 263 + CD_GB1_6 C_GB1_31 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 264 CD_GB1_6 O_GB1_31 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 265 - CD_GB1_6 N_GB1_32 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 266 - CD_GB1_6 CD_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 271 + CD_GB1_6 N_GB1_32 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 266 + CD_GB1_6 CD_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 271 CD_GB1_6 OE1_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 272 - CD_GB1_6 NE2_GB1_32 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 55 273 - CD_GB1_6 C_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 274 + CD_GB1_6 NE2_GB1_32 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 55 273 + CD_GB1_6 C_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 274 CD_GB1_6 O_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 275 - CD_GB1_6 N_GB1_33 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 276 - CD_GB1_6 OH_GB1_33 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 55 286 - CD_GB1_6 C_GB1_33 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 287 + CD_GB1_6 N_GB1_33 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 276 + CD_GB1_6 OH_GB1_33 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 55 286 + CD_GB1_6 C_GB1_33 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 287 CD_GB1_6 O_GB1_33 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 288 - CD_GB1_6 N_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 289 - CD_GB1_6 C_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 293 + CD_GB1_6 N_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 289 + CD_GB1_6 C_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 293 CD_GB1_6 O_GB1_34 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 294 - CD_GB1_6 N_GB1_35 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 295 - CD_GB1_6 CG_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 299 + CD_GB1_6 N_GB1_35 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 295 + CD_GB1_6 CG_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 299 CD_GB1_6 OD1_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 300 - CD_GB1_6 ND2_GB1_35 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 55 301 - CD_GB1_6 C_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 302 + CD_GB1_6 ND2_GB1_35 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 55 301 + CD_GB1_6 C_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 302 CD_GB1_6 O_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 303 - CD_GB1_6 N_GB1_36 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 304 - CD_GB1_6 CG_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 308 + CD_GB1_6 N_GB1_36 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 304 + CD_GB1_6 CG_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 308 CD_GB1_6 OD1_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 55 309 CD_GB1_6 OD2_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 55 310 - CD_GB1_6 C_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 311 + CD_GB1_6 C_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 311 CD_GB1_6 O_GB1_36 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 312 - CD_GB1_6 N_GB1_37 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 313 - CD_GB1_6 CG_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 317 + CD_GB1_6 N_GB1_37 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 313 + CD_GB1_6 CG_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 317 CD_GB1_6 OD1_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 318 - CD_GB1_6 ND2_GB1_37 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 55 319 - CD_GB1_6 C_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 320 + CD_GB1_6 ND2_GB1_37 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 55 319 + CD_GB1_6 C_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 320 CD_GB1_6 O_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 321 - CD_GB1_6 N_GB1_38 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 322 - CD_GB1_6 C_GB1_38 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 325 + CD_GB1_6 N_GB1_38 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 322 + CD_GB1_6 C_GB1_38 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 325 CD_GB1_6 O_GB1_38 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 326 - CD_GB1_6 N_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 327 - CD_GB1_6 C_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 333 + CD_GB1_6 N_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 327 + CD_GB1_6 C_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 333 CD_GB1_6 O_GB1_39 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 334 - CD_GB1_6 N_GB1_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 335 - CD_GB1_6 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 339 + CD_GB1_6 N_GB1_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 335 + CD_GB1_6 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 339 CD_GB1_6 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 55 340 CD_GB1_6 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 55 341 - CD_GB1_6 C_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 342 + CD_GB1_6 C_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 342 CD_GB1_6 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 343 - CD_GB1_6 N_GB1_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 344 - CD_GB1_6 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 347 + CD_GB1_6 N_GB1_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 344 + CD_GB1_6 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 347 CD_GB1_6 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 348 - CD_GB1_6 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 349 - CD_GB1_6 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 354 + CD_GB1_6 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 349 + CD_GB1_6 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 354 CD_GB1_6 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 55 355 CD_GB1_6 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 55 356 - CD_GB1_6 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 357 + CD_GB1_6 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 357 CD_GB1_6 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 358 - CD_GB1_6 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 359 - CD_GB1_6 NE1_GB1_43 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.0 1.0 1.0 1.0 False mg 7 55 366 - CD_GB1_6 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 372 + CD_GB1_6 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 359 + CD_GB1_6 NE1_GB1_43 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.0 1.0 1.0 1.0 False mg 7 55 366 + CD_GB1_6 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 372 CD_GB1_6 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 373 - CD_GB1_6 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 374 - CD_GB1_6 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 55 378 - CD_GB1_6 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 380 + CD_GB1_6 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 374 + CD_GB1_6 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 55 378 + CD_GB1_6 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 380 CD_GB1_6 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 381 - CD_GB1_6 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 382 - CD_GB1_6 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 55 392 - CD_GB1_6 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 393 + CD_GB1_6 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 382 + CD_GB1_6 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 55 392 + CD_GB1_6 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 393 CD_GB1_6 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 394 - CD_GB1_6 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 395 - CD_GB1_6 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 399 + CD_GB1_6 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 395 + CD_GB1_6 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 399 CD_GB1_6 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 55 400 CD_GB1_6 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 55 401 - CD_GB1_6 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 402 + CD_GB1_6 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 402 CD_GB1_6 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 403 - CD_GB1_6 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 404 - CD_GB1_6 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 408 + CD_GB1_6 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 404 + CD_GB1_6 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 408 CD_GB1_6 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 55 409 CD_GB1_6 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 55 410 - CD_GB1_6 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 411 + CD_GB1_6 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 411 CD_GB1_6 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 412 - CD_GB1_6 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 413 - CD_GB1_6 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 417 + CD_GB1_6 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 413 + CD_GB1_6 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 417 CD_GB1_6 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 418 - CD_GB1_6 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 419 - CD_GB1_6 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 55 423 - CD_GB1_6 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 425 + CD_GB1_6 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 419 + CD_GB1_6 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 55 423 + CD_GB1_6 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 425 CD_GB1_6 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 426 - CD_GB1_6 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 427 - CD_GB1_6 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 434 - CD_GB1_6 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 435 + CD_GB1_6 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 427 + CD_GB1_6 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 434 + CD_GB1_6 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 435 CD_GB1_6 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 436 - CD_GB1_6 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 437 - CD_GB1_6 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 55 441 - CD_GB1_6 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 443 + CD_GB1_6 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 437 + CD_GB1_6 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 55 441 + CD_GB1_6 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 443 CD_GB1_6 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 444 - CD_GB1_6 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 445 - CD_GB1_6 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 455 + CD_GB1_6 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 445 + CD_GB1_6 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 455 CD_GB1_6 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 456 - CD_GB1_6 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 457 - CD_GB1_6 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 55 461 - CD_GB1_6 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 463 + CD_GB1_6 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 457 + CD_GB1_6 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 55 461 + CD_GB1_6 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 463 CD_GB1_6 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 464 - CD_GB1_6 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 465 - CD_GB1_6 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 471 + CD_GB1_6 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 465 + CD_GB1_6 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 471 CD_GB1_6 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 472 - CD_GB1_6 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 473 - CD_GB1_6 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 55 477 - CD_GB1_6 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 479 + CD_GB1_6 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 473 + CD_GB1_6 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 55 477 + CD_GB1_6 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 479 CD_GB1_6 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 55 480 - CD_GB1_6 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 55 481 - CD_GB1_6 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 486 + CD_GB1_6 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 55 481 + CD_GB1_6 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 486 CD_GB1_6 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 55 487 CD_GB1_6 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 55 488 - CD_GB1_6 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 55 489 + CD_GB1_6 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 55 489 CD_GB1_6 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 55 490 CD_GB1_6 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 55 491 - C_GB1_6 CB_GB1_7 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 61 - C_GB1_6 CG_GB1_7 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 56 62 - C_GB1_6 CD1_GB1_7 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 56 63 - C_GB1_6 CD2_GB1_7 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 56 64 - C_GB1_6 CB_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 70 - C_GB1_6 CA_GB1_9 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 78 - C_GB1_6 CB_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 84 - C_GB1_6 CG_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 85 - C_GB1_6 CD_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 86 - C_GB1_6 CE_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 87 - C_GB1_6 CB_GB1_11 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 56 94 - C_GB1_6 CG2_GB1_11 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 56 96 - C_GB1_6 CB_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 102 - C_GB1_6 CG_GB1_12 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 56 103 - C_GB1_6 CD1_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 56 104 - C_GB1_6 CD2_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 56 105 - C_GB1_6 CB_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 111 - C_GB1_6 CG_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 112 - C_GB1_6 CD_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 113 - C_GB1_6 CE_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 114 - C_GB1_6 CA_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 120 - C_GB1_6 CB_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 126 - C_GB1_6 CG_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 127 - C_GB1_6 CB_GB1_16 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 56 136 - C_GB1_6 CG2_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 56 138 - C_GB1_6 CB_GB1_17 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 56 144 - C_GB1_6 CG2_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 56 146 - C_GB1_6 CB_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 56 152 - C_GB1_6 CG2_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 56 154 - C_GB1_6 CB_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 160 - C_GB1_6 CG_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 161 - C_GB1_6 CB_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 56 170 - C_GB1_6 CB_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 56 176 - C_GB1_6 CG1_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 56 177 - C_GB1_6 CG2_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 56 178 - C_GB1_6 CB_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 184 - C_GB1_6 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 56 193 - C_GB1_6 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 56 199 - C_GB1_6 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 56 205 - C_GB1_6 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 56 207 - C_GB1_6 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 56 213 - C_GB1_6 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 219 - C_GB1_6 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 220 - C_GB1_6 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 229 - C_GB1_6 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 230 - C_GB1_6 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 231 - C_GB1_6 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 232 - C_GB1_6 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 56 239 - C_GB1_6 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 56 240 - C_GB1_6 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 56 241 - C_GB1_6 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 247 - C_GB1_6 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 259 - C_GB1_6 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 260 - C_GB1_6 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 261 - C_GB1_6 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 262 - C_GB1_6 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 269 - C_GB1_6 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 270 - C_GB1_6 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 279 - C_GB1_6 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 56 292 - C_GB1_6 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 298 - C_GB1_6 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 307 - C_GB1_6 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 316 - C_GB1_6 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 324 - C_GB1_6 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 56 330 - C_GB1_6 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 56 331 - C_GB1_6 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 56 332 - C_GB1_6 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 338 - C_GB1_6 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 346 - C_GB1_6 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 352 - C_GB1_6 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 353 - C_GB1_6 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 362 - C_GB1_6 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 56 377 - C_GB1_6 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 56 379 - C_GB1_6 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 385 - C_GB1_6 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 398 - C_GB1_6 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 407 - C_GB1_6 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 56 416 - C_GB1_6 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 56 422 - C_GB1_6 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 56 424 - C_GB1_6 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 430 - C_GB1_6 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 431 - C_GB1_6 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 432 - C_GB1_6 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 433 - C_GB1_6 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 56 440 - C_GB1_6 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 56 442 - C_GB1_6 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 448 - C_GB1_6 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 56 460 - C_GB1_6 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 56 462 - C_GB1_6 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 56 468 - C_GB1_6 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 56 469 - C_GB1_6 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 56 470 - C_GB1_6 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 56 476 - C_GB1_6 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 56 478 - C_GB1_6 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 484 - C_GB1_6 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 56 485 + C_GB1_6 CB_GB1_7 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 61 + C_GB1_6 CG_GB1_7 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 56 62 + C_GB1_6 CD1_GB1_7 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 56 63 + C_GB1_6 CD2_GB1_7 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 56 64 + C_GB1_6 CB_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 70 + C_GB1_6 CA_GB1_9 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 78 + C_GB1_6 CB_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 84 + C_GB1_6 CG_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 85 + C_GB1_6 CD_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 86 + C_GB1_6 CE_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 87 + C_GB1_6 CB_GB1_11 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 56 94 + C_GB1_6 CG2_GB1_11 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 56 96 + C_GB1_6 CB_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 102 + C_GB1_6 CG_GB1_12 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 56 103 + C_GB1_6 CD1_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 56 104 + C_GB1_6 CD2_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 56 105 + C_GB1_6 CB_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 111 + C_GB1_6 CG_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 112 + C_GB1_6 CD_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 113 + C_GB1_6 CE_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 114 + C_GB1_6 CA_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 120 + C_GB1_6 CB_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 126 + C_GB1_6 CG_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 127 + C_GB1_6 CB_GB1_16 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 56 136 + C_GB1_6 CG2_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 56 138 + C_GB1_6 CB_GB1_17 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 56 144 + C_GB1_6 CG2_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 56 146 + C_GB1_6 CB_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 56 152 + C_GB1_6 CG2_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 56 154 + C_GB1_6 CB_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 160 + C_GB1_6 CG_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 161 + C_GB1_6 CB_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 56 170 + C_GB1_6 CB_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 56 176 + C_GB1_6 CG1_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 56 177 + C_GB1_6 CG2_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 56 178 + C_GB1_6 CB_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 184 + C_GB1_6 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 56 193 + C_GB1_6 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 56 199 + C_GB1_6 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 56 205 + C_GB1_6 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 56 207 + C_GB1_6 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 56 213 + C_GB1_6 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 219 + C_GB1_6 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 220 + C_GB1_6 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 229 + C_GB1_6 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 230 + C_GB1_6 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 231 + C_GB1_6 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 232 + C_GB1_6 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 56 239 + C_GB1_6 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 56 240 + C_GB1_6 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 56 241 + C_GB1_6 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 247 + C_GB1_6 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 259 + C_GB1_6 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 260 + C_GB1_6 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 261 + C_GB1_6 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 262 + C_GB1_6 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 269 + C_GB1_6 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 270 + C_GB1_6 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 279 + C_GB1_6 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 56 292 + C_GB1_6 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 298 + C_GB1_6 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 307 + C_GB1_6 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 316 + C_GB1_6 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 324 + C_GB1_6 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 56 330 + C_GB1_6 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 56 331 + C_GB1_6 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 56 332 + C_GB1_6 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 338 + C_GB1_6 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 346 + C_GB1_6 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 352 + C_GB1_6 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 353 + C_GB1_6 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 362 + C_GB1_6 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 56 377 + C_GB1_6 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 56 379 + C_GB1_6 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 385 + C_GB1_6 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 398 + C_GB1_6 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 407 + C_GB1_6 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 56 416 + C_GB1_6 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 56 422 + C_GB1_6 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 56 424 + C_GB1_6 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 430 + C_GB1_6 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 431 + C_GB1_6 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 432 + C_GB1_6 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 433 + C_GB1_6 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 56 440 + C_GB1_6 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 56 442 + C_GB1_6 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 448 + C_GB1_6 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 56 460 + C_GB1_6 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 56 462 + C_GB1_6 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 56 468 + C_GB1_6 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 56 469 + C_GB1_6 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 56 470 + C_GB1_6 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 56 476 + C_GB1_6 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 56 478 + C_GB1_6 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 484 + C_GB1_6 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 56 485 O_GB1_6 O_GB1_6 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 57 57 O_GB1_6 H_GB1_7 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 57 59 O_GB1_6 CB_GB1_7 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 57 61 @@ -8408,101 +8408,101 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573658e-04 5.159165e-08 O_GB1_6 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 57 488 O_GB1_6 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 57 490 O_GB1_6 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 57 491 - N_GB1_7 CB_GB1_7 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 61 - N_GB1_7 CG_GB1_7 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 58 62 - N_GB1_7 CD1_GB1_7 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 58 63 - N_GB1_7 CD2_GB1_7 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 58 64 - N_GB1_7 CB_GB1_8 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 70 - N_GB1_7 CA_GB1_9 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 78 - N_GB1_7 CB_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 84 - N_GB1_7 CG_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 85 - N_GB1_7 CD_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 86 - N_GB1_7 CE_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 87 - N_GB1_7 CB_GB1_11 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 58 94 - N_GB1_7 CG2_GB1_11 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 58 96 - N_GB1_7 CB_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 102 - N_GB1_7 CG_GB1_12 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 58 103 - N_GB1_7 CD1_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 58 104 - N_GB1_7 CD2_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 58 105 - N_GB1_7 CB_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 111 - N_GB1_7 CG_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 112 - N_GB1_7 CD_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 113 - N_GB1_7 CE_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 114 - N_GB1_7 CA_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 120 - N_GB1_7 CB_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 126 - N_GB1_7 CG_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 127 - N_GB1_7 CB_GB1_16 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 58 136 - N_GB1_7 CG2_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 58 138 - N_GB1_7 CB_GB1_17 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 58 144 - N_GB1_7 CG2_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 58 146 - N_GB1_7 CB_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 58 152 - N_GB1_7 CG2_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 58 154 - N_GB1_7 CB_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 160 - N_GB1_7 CG_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 161 - N_GB1_7 CB_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 58 170 - N_GB1_7 CB_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 58 176 - N_GB1_7 CG1_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 58 177 - N_GB1_7 CG2_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 58 178 - N_GB1_7 CB_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 184 - N_GB1_7 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 58 193 - N_GB1_7 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 58 199 - N_GB1_7 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 58 205 - N_GB1_7 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 58 207 - N_GB1_7 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 58 213 - N_GB1_7 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 219 - N_GB1_7 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 220 - N_GB1_7 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 229 - N_GB1_7 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 230 - N_GB1_7 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 231 - N_GB1_7 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 232 - N_GB1_7 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 58 239 - N_GB1_7 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 58 240 - N_GB1_7 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 58 241 - N_GB1_7 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 247 - N_GB1_7 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 259 - N_GB1_7 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 260 - N_GB1_7 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 261 - N_GB1_7 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 262 - N_GB1_7 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 269 - N_GB1_7 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 270 - N_GB1_7 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 279 - N_GB1_7 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 58 292 - N_GB1_7 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 298 - N_GB1_7 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 307 - N_GB1_7 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 316 - N_GB1_7 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 324 - N_GB1_7 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 58 330 - N_GB1_7 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 58 331 - N_GB1_7 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 58 332 - N_GB1_7 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 338 - N_GB1_7 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 346 - N_GB1_7 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 352 - N_GB1_7 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 353 - N_GB1_7 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 362 - N_GB1_7 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 58 377 - N_GB1_7 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 58 379 - N_GB1_7 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 385 - N_GB1_7 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 398 - N_GB1_7 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 407 - N_GB1_7 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 58 416 - N_GB1_7 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 58 422 - N_GB1_7 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 58 424 - N_GB1_7 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 430 - N_GB1_7 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 431 - N_GB1_7 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 432 - N_GB1_7 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 433 - N_GB1_7 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 58 440 - N_GB1_7 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 58 442 - N_GB1_7 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 448 - N_GB1_7 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 58 460 - N_GB1_7 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 58 462 - N_GB1_7 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 58 468 - N_GB1_7 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 58 469 - N_GB1_7 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 58 470 - N_GB1_7 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 58 476 - N_GB1_7 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 58 478 - N_GB1_7 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 484 - N_GB1_7 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 58 485 + N_GB1_7 CB_GB1_7 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 61 + N_GB1_7 CG_GB1_7 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 58 62 + N_GB1_7 CD1_GB1_7 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 58 63 + N_GB1_7 CD2_GB1_7 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 58 64 + N_GB1_7 CB_GB1_8 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 70 + N_GB1_7 CA_GB1_9 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 78 + N_GB1_7 CB_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 84 + N_GB1_7 CG_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 85 + N_GB1_7 CD_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 86 + N_GB1_7 CE_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 87 + N_GB1_7 CB_GB1_11 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 58 94 + N_GB1_7 CG2_GB1_11 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 58 96 + N_GB1_7 CB_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 102 + N_GB1_7 CG_GB1_12 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 58 103 + N_GB1_7 CD1_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 58 104 + N_GB1_7 CD2_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 58 105 + N_GB1_7 CB_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 111 + N_GB1_7 CG_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 112 + N_GB1_7 CD_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 113 + N_GB1_7 CE_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 114 + N_GB1_7 CA_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 120 + N_GB1_7 CB_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 126 + N_GB1_7 CG_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 127 + N_GB1_7 CB_GB1_16 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 58 136 + N_GB1_7 CG2_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 58 138 + N_GB1_7 CB_GB1_17 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 58 144 + N_GB1_7 CG2_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 58 146 + N_GB1_7 CB_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 58 152 + N_GB1_7 CG2_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 58 154 + N_GB1_7 CB_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 160 + N_GB1_7 CG_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 161 + N_GB1_7 CB_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 58 170 + N_GB1_7 CB_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 58 176 + N_GB1_7 CG1_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 58 177 + N_GB1_7 CG2_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 58 178 + N_GB1_7 CB_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 184 + N_GB1_7 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 58 193 + N_GB1_7 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 58 199 + N_GB1_7 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 58 205 + N_GB1_7 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 58 207 + N_GB1_7 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 58 213 + N_GB1_7 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 219 + N_GB1_7 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 220 + N_GB1_7 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 229 + N_GB1_7 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 230 + N_GB1_7 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 231 + N_GB1_7 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 232 + N_GB1_7 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 58 239 + N_GB1_7 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 58 240 + N_GB1_7 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 58 241 + N_GB1_7 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 247 + N_GB1_7 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 259 + N_GB1_7 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 260 + N_GB1_7 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 261 + N_GB1_7 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 262 + N_GB1_7 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 269 + N_GB1_7 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 270 + N_GB1_7 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 279 + N_GB1_7 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 58 292 + N_GB1_7 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 298 + N_GB1_7 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 307 + N_GB1_7 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 316 + N_GB1_7 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 324 + N_GB1_7 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 58 330 + N_GB1_7 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 58 331 + N_GB1_7 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 58 332 + N_GB1_7 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 338 + N_GB1_7 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 346 + N_GB1_7 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 352 + N_GB1_7 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 353 + N_GB1_7 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 362 + N_GB1_7 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 58 377 + N_GB1_7 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 58 379 + N_GB1_7 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 385 + N_GB1_7 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 398 + N_GB1_7 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 407 + N_GB1_7 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 58 416 + N_GB1_7 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 58 422 + N_GB1_7 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 58 424 + N_GB1_7 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 430 + N_GB1_7 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 431 + N_GB1_7 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 432 + N_GB1_7 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 433 + N_GB1_7 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 58 440 + N_GB1_7 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 58 442 + N_GB1_7 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 448 + N_GB1_7 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 58 460 + N_GB1_7 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 58 462 + N_GB1_7 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 58 468 + N_GB1_7 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 58 469 + N_GB1_7 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 58 470 + N_GB1_7 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 58 476 + N_GB1_7 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 58 478 + N_GB1_7 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 484 + N_GB1_7 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 58 485 H_GB1_7 H_GB1_7 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 59 59 H_GB1_7 O_GB1_7 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 59 66 H_GB1_7 H_GB1_8 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 59 68 @@ -8640,937 +8640,937 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573658e-04 5.159165e-08 H_GB1_7 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 59 488 H_GB1_7 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 59 490 H_GB1_7 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 59 491 - CB_GB1_7 C_GB1_7 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 65 + CB_GB1_7 C_GB1_7 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 65 CB_GB1_7 O_GB1_7 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 66 - CB_GB1_7 N_GB1_8 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 67 - CB_GB1_7 CG_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 71 + CB_GB1_7 N_GB1_8 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 67 + CB_GB1_7 CG_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 71 CB_GB1_7 OD1_GB1_8 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 72 - CB_GB1_7 ND2_GB1_8 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 61 73 - CB_GB1_7 C_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 74 + CB_GB1_7 ND2_GB1_8 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 61 73 + CB_GB1_7 C_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 74 CB_GB1_7 O_GB1_8 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 75 - CB_GB1_7 N_GB1_9 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 76 - CB_GB1_7 C_GB1_9 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 79 + CB_GB1_7 N_GB1_9 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 76 + CB_GB1_7 C_GB1_9 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 79 CB_GB1_7 O_GB1_9 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 80 - CB_GB1_7 N_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 81 - CB_GB1_7 NZ_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 88 - CB_GB1_7 C_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 89 + CB_GB1_7 N_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 81 + CB_GB1_7 NZ_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 88 + CB_GB1_7 C_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 89 CB_GB1_7 O_GB1_10 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 90 - CB_GB1_7 N_GB1_11 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 91 - CB_GB1_7 OG1_GB1_11 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 61 95 - CB_GB1_7 C_GB1_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 97 + CB_GB1_7 N_GB1_11 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 91 + CB_GB1_7 OG1_GB1_11 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 61 95 + CB_GB1_7 C_GB1_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 97 CB_GB1_7 O_GB1_11 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 98 - CB_GB1_7 N_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 99 - CB_GB1_7 C_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 106 + CB_GB1_7 N_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 99 + CB_GB1_7 C_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 106 CB_GB1_7 O_GB1_12 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 107 - CB_GB1_7 N_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 108 - CB_GB1_7 NZ_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 115 - CB_GB1_7 C_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 116 + CB_GB1_7 N_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 108 + CB_GB1_7 NZ_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 115 + CB_GB1_7 C_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 116 CB_GB1_7 O_GB1_13 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 117 - CB_GB1_7 N_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 118 - CB_GB1_7 C_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 121 + CB_GB1_7 N_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 118 + CB_GB1_7 C_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 121 CB_GB1_7 O_GB1_14 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 122 - CB_GB1_7 N_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 123 - CB_GB1_7 CD_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 128 - CB_GB1_7 OE1_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 61 129 - CB_GB1_7 OE2_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 61 130 - CB_GB1_7 C_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 131 + CB_GB1_7 N_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 123 + CB_GB1_7 CD_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 128 + CB_GB1_7 OE1_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 61 129 + CB_GB1_7 OE2_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 61 130 + CB_GB1_7 C_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 131 CB_GB1_7 O_GB1_15 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 132 - CB_GB1_7 N_GB1_16 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 133 - CB_GB1_7 OG1_GB1_16 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 61 137 - CB_GB1_7 C_GB1_16 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 139 + CB_GB1_7 N_GB1_16 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 133 + CB_GB1_7 OG1_GB1_16 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 61 137 + CB_GB1_7 C_GB1_16 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 139 CB_GB1_7 O_GB1_16 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 140 - CB_GB1_7 N_GB1_17 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 141 - CB_GB1_7 OG1_GB1_17 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 61 145 - CB_GB1_7 C_GB1_17 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 147 + CB_GB1_7 N_GB1_17 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 141 + CB_GB1_7 OG1_GB1_17 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 61 145 + CB_GB1_7 C_GB1_17 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 147 CB_GB1_7 O_GB1_17 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 148 - CB_GB1_7 N_GB1_18 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 149 - CB_GB1_7 OG1_GB1_18 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 61 153 - CB_GB1_7 C_GB1_18 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 155 + CB_GB1_7 N_GB1_18 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 149 + CB_GB1_7 OG1_GB1_18 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 61 153 + CB_GB1_7 C_GB1_18 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 155 CB_GB1_7 O_GB1_18 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 156 - CB_GB1_7 N_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 157 - CB_GB1_7 CD_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 162 - CB_GB1_7 OE1_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 61 163 - CB_GB1_7 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 61 164 - CB_GB1_7 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 165 + CB_GB1_7 N_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 157 + CB_GB1_7 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 162 + CB_GB1_7 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 61 163 + CB_GB1_7 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 61 164 + CB_GB1_7 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 165 CB_GB1_7 O_GB1_19 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 166 - CB_GB1_7 N_GB1_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 167 - CB_GB1_7 C_GB1_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 171 + CB_GB1_7 N_GB1_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 167 + CB_GB1_7 C_GB1_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 171 CB_GB1_7 O_GB1_20 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 172 - CB_GB1_7 N_GB1_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 173 - CB_GB1_7 C_GB1_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 179 + CB_GB1_7 N_GB1_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 173 + CB_GB1_7 C_GB1_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 179 CB_GB1_7 O_GB1_21 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 180 - CB_GB1_7 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 181 - CB_GB1_7 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 185 - CB_GB1_7 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 61 186 - CB_GB1_7 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 61 187 - CB_GB1_7 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 188 + CB_GB1_7 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 181 + CB_GB1_7 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 185 + CB_GB1_7 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 61 186 + CB_GB1_7 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 61 187 + CB_GB1_7 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 188 CB_GB1_7 O_GB1_22 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 189 - CB_GB1_7 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 190 - CB_GB1_7 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 194 + CB_GB1_7 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 190 + CB_GB1_7 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 194 CB_GB1_7 O_GB1_23 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 195 - CB_GB1_7 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 196 - CB_GB1_7 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 200 + CB_GB1_7 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 196 + CB_GB1_7 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 200 CB_GB1_7 O_GB1_24 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 201 - CB_GB1_7 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 202 - CB_GB1_7 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 61 206 - CB_GB1_7 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 208 + CB_GB1_7 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 202 + CB_GB1_7 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 61 206 + CB_GB1_7 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 208 CB_GB1_7 O_GB1_25 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 209 - CB_GB1_7 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 210 - CB_GB1_7 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 214 + CB_GB1_7 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 210 + CB_GB1_7 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 214 CB_GB1_7 O_GB1_26 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 215 - CB_GB1_7 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 216 - CB_GB1_7 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 221 - CB_GB1_7 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 61 222 - CB_GB1_7 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 61 223 - CB_GB1_7 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 224 + CB_GB1_7 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 216 + CB_GB1_7 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 221 + CB_GB1_7 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 61 222 + CB_GB1_7 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 61 223 + CB_GB1_7 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 224 CB_GB1_7 O_GB1_27 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 225 - CB_GB1_7 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 226 - CB_GB1_7 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 233 - CB_GB1_7 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 234 + CB_GB1_7 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 226 + CB_GB1_7 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 233 + CB_GB1_7 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 234 CB_GB1_7 O_GB1_28 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 235 - CB_GB1_7 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 236 - CB_GB1_7 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 242 + CB_GB1_7 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 236 + CB_GB1_7 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 242 CB_GB1_7 O_GB1_29 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 243 - CB_GB1_7 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 244 - CB_GB1_7 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 254 + CB_GB1_7 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 244 + CB_GB1_7 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 254 CB_GB1_7 O_GB1_30 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 255 - CB_GB1_7 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 256 - CB_GB1_7 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 263 - CB_GB1_7 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 264 + CB_GB1_7 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 256 + CB_GB1_7 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 263 + CB_GB1_7 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 264 CB_GB1_7 O_GB1_31 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 265 - CB_GB1_7 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 266 - CB_GB1_7 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 271 + CB_GB1_7 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 266 + CB_GB1_7 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 271 CB_GB1_7 OE1_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 272 - CB_GB1_7 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 61 273 - CB_GB1_7 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 274 + CB_GB1_7 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 61 273 + CB_GB1_7 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 274 CB_GB1_7 O_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 275 - CB_GB1_7 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 276 - CB_GB1_7 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 61 286 - CB_GB1_7 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 287 + CB_GB1_7 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 276 + CB_GB1_7 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 61 286 + CB_GB1_7 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 287 CB_GB1_7 O_GB1_33 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 288 - CB_GB1_7 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 289 - CB_GB1_7 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 293 + CB_GB1_7 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 289 + CB_GB1_7 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 293 CB_GB1_7 O_GB1_34 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 294 - CB_GB1_7 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 295 - CB_GB1_7 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 299 + CB_GB1_7 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 295 + CB_GB1_7 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 299 CB_GB1_7 OD1_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 300 - CB_GB1_7 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 61 301 - CB_GB1_7 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 302 + CB_GB1_7 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 61 301 + CB_GB1_7 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 302 CB_GB1_7 O_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 303 - CB_GB1_7 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 304 - CB_GB1_7 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 308 - CB_GB1_7 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 61 309 - CB_GB1_7 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 61 310 - CB_GB1_7 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 311 + CB_GB1_7 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 304 + CB_GB1_7 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 308 + CB_GB1_7 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 61 309 + CB_GB1_7 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 61 310 + CB_GB1_7 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 311 CB_GB1_7 O_GB1_36 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 312 - CB_GB1_7 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 313 - CB_GB1_7 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 317 + CB_GB1_7 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 313 + CB_GB1_7 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 317 CB_GB1_7 OD1_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 318 - CB_GB1_7 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 61 319 - CB_GB1_7 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 320 + CB_GB1_7 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 61 319 + CB_GB1_7 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 320 CB_GB1_7 O_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 321 - CB_GB1_7 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 322 - CB_GB1_7 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 325 + CB_GB1_7 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 322 + CB_GB1_7 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 325 CB_GB1_7 O_GB1_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 326 - CB_GB1_7 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 327 - CB_GB1_7 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 333 + CB_GB1_7 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 327 + CB_GB1_7 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 333 CB_GB1_7 O_GB1_39 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 334 - CB_GB1_7 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 335 - CB_GB1_7 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 339 - CB_GB1_7 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 61 340 - CB_GB1_7 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 61 341 - CB_GB1_7 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 342 + CB_GB1_7 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 335 + CB_GB1_7 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 339 + CB_GB1_7 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 61 340 + CB_GB1_7 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 61 341 + CB_GB1_7 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 342 CB_GB1_7 O_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 343 - CB_GB1_7 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 344 - CB_GB1_7 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 347 + CB_GB1_7 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 344 + CB_GB1_7 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 347 CB_GB1_7 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 348 - CB_GB1_7 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 349 - CB_GB1_7 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 354 - CB_GB1_7 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 61 355 - CB_GB1_7 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 61 356 - CB_GB1_7 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 357 + CB_GB1_7 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 349 + CB_GB1_7 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 354 + CB_GB1_7 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 61 355 + CB_GB1_7 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 61 356 + CB_GB1_7 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 357 CB_GB1_7 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 358 - CB_GB1_7 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 359 - CB_GB1_7 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 61 366 - CB_GB1_7 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 372 + CB_GB1_7 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 359 + CB_GB1_7 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 61 366 + CB_GB1_7 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 372 CB_GB1_7 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 373 - CB_GB1_7 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 374 - CB_GB1_7 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 61 378 - CB_GB1_7 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 380 + CB_GB1_7 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 374 + CB_GB1_7 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 61 378 + CB_GB1_7 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 380 CB_GB1_7 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 381 - CB_GB1_7 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 382 - CB_GB1_7 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 61 392 - CB_GB1_7 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 393 + CB_GB1_7 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 382 + CB_GB1_7 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 61 392 + CB_GB1_7 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 393 CB_GB1_7 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 394 - CB_GB1_7 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 395 - CB_GB1_7 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 399 - CB_GB1_7 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 61 400 - CB_GB1_7 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 61 401 - CB_GB1_7 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 402 + CB_GB1_7 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 395 + CB_GB1_7 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 399 + CB_GB1_7 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 61 400 + CB_GB1_7 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 61 401 + CB_GB1_7 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 402 CB_GB1_7 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 403 - CB_GB1_7 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 404 - CB_GB1_7 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 408 - CB_GB1_7 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 61 409 - CB_GB1_7 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 61 410 - CB_GB1_7 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 411 + CB_GB1_7 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 404 + CB_GB1_7 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 408 + CB_GB1_7 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 61 409 + CB_GB1_7 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 61 410 + CB_GB1_7 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 411 CB_GB1_7 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 412 - CB_GB1_7 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 413 - CB_GB1_7 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 417 + CB_GB1_7 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 413 + CB_GB1_7 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 417 CB_GB1_7 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 418 - CB_GB1_7 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 419 - CB_GB1_7 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 61 423 - CB_GB1_7 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 425 + CB_GB1_7 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 419 + CB_GB1_7 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 61 423 + CB_GB1_7 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 425 CB_GB1_7 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 426 - CB_GB1_7 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 427 - CB_GB1_7 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 434 - CB_GB1_7 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 435 + CB_GB1_7 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 427 + CB_GB1_7 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 434 + CB_GB1_7 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 435 CB_GB1_7 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 436 - CB_GB1_7 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 437 - CB_GB1_7 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 61 441 - CB_GB1_7 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 443 + CB_GB1_7 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 437 + CB_GB1_7 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 61 441 + CB_GB1_7 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 443 CB_GB1_7 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 444 - CB_GB1_7 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 445 - CB_GB1_7 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 455 + CB_GB1_7 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 445 + CB_GB1_7 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 455 CB_GB1_7 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 456 - CB_GB1_7 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 457 - CB_GB1_7 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 61 461 - CB_GB1_7 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 463 + CB_GB1_7 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 457 + CB_GB1_7 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 61 461 + CB_GB1_7 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 463 CB_GB1_7 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 464 - CB_GB1_7 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 465 - CB_GB1_7 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 471 + CB_GB1_7 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 465 + CB_GB1_7 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 471 CB_GB1_7 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 472 - CB_GB1_7 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 473 - CB_GB1_7 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 61 477 - CB_GB1_7 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 479 + CB_GB1_7 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 473 + CB_GB1_7 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 61 477 + CB_GB1_7 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 479 CB_GB1_7 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 61 480 - CB_GB1_7 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 61 481 - CB_GB1_7 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 486 - CB_GB1_7 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 61 487 - CB_GB1_7 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 61 488 - CB_GB1_7 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 61 489 - CB_GB1_7 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 61 490 - CB_GB1_7 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 61 491 - CG_GB1_7 C_GB1_7 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 65 + CB_GB1_7 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 61 481 + CB_GB1_7 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 486 + CB_GB1_7 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 61 487 + CB_GB1_7 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 61 488 + CB_GB1_7 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 61 489 + CB_GB1_7 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 61 490 + CB_GB1_7 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 61 491 + CG_GB1_7 C_GB1_7 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 65 CG_GB1_7 O_GB1_7 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 66 - CG_GB1_7 N_GB1_8 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 67 - CG_GB1_7 CG_GB1_8 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 71 + CG_GB1_7 N_GB1_8 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 67 + CG_GB1_7 CG_GB1_8 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 71 CG_GB1_7 OD1_GB1_8 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 72 - CG_GB1_7 ND2_GB1_8 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 62 73 - CG_GB1_7 C_GB1_8 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 74 + CG_GB1_7 ND2_GB1_8 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 62 73 + CG_GB1_7 C_GB1_8 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 74 CG_GB1_7 O_GB1_8 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 75 - CG_GB1_7 N_GB1_9 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 76 - CG_GB1_7 C_GB1_9 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 79 + CG_GB1_7 N_GB1_9 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 76 + CG_GB1_7 C_GB1_9 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 79 CG_GB1_7 O_GB1_9 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 80 - CG_GB1_7 N_GB1_10 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 81 - CG_GB1_7 NZ_GB1_10 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 88 - CG_GB1_7 C_GB1_10 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 89 + CG_GB1_7 N_GB1_10 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 81 + CG_GB1_7 NZ_GB1_10 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 88 + CG_GB1_7 C_GB1_10 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 89 CG_GB1_7 O_GB1_10 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 90 - CG_GB1_7 N_GB1_11 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 91 - CG_GB1_7 OG1_GB1_11 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 62 95 - CG_GB1_7 C_GB1_11 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 97 + CG_GB1_7 N_GB1_11 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 91 + CG_GB1_7 OG1_GB1_11 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 62 95 + CG_GB1_7 C_GB1_11 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 97 CG_GB1_7 O_GB1_11 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 98 - CG_GB1_7 N_GB1_12 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 99 - CG_GB1_7 C_GB1_12 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 106 + CG_GB1_7 N_GB1_12 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 99 + CG_GB1_7 C_GB1_12 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 106 CG_GB1_7 O_GB1_12 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 107 - CG_GB1_7 N_GB1_13 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 108 - CG_GB1_7 NZ_GB1_13 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 115 - CG_GB1_7 C_GB1_13 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 116 + CG_GB1_7 N_GB1_13 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 108 + CG_GB1_7 NZ_GB1_13 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 115 + CG_GB1_7 C_GB1_13 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 116 CG_GB1_7 O_GB1_13 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 117 - CG_GB1_7 N_GB1_14 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 118 - CG_GB1_7 C_GB1_14 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 121 + CG_GB1_7 N_GB1_14 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 118 + CG_GB1_7 C_GB1_14 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 121 CG_GB1_7 O_GB1_14 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 122 - CG_GB1_7 N_GB1_15 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 123 - CG_GB1_7 CD_GB1_15 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 128 - CG_GB1_7 OE1_GB1_15 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 62 129 - CG_GB1_7 OE2_GB1_15 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 62 130 - CG_GB1_7 C_GB1_15 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 131 + CG_GB1_7 N_GB1_15 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 123 + CG_GB1_7 CD_GB1_15 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 128 + CG_GB1_7 OE1_GB1_15 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 62 129 + CG_GB1_7 OE2_GB1_15 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 62 130 + CG_GB1_7 C_GB1_15 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 131 CG_GB1_7 O_GB1_15 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 132 - CG_GB1_7 N_GB1_16 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 133 - CG_GB1_7 OG1_GB1_16 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 62 137 - CG_GB1_7 C_GB1_16 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 139 + CG_GB1_7 N_GB1_16 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 133 + CG_GB1_7 OG1_GB1_16 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 62 137 + CG_GB1_7 C_GB1_16 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 139 CG_GB1_7 O_GB1_16 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 140 - CG_GB1_7 N_GB1_17 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 141 - CG_GB1_7 OG1_GB1_17 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 62 145 - CG_GB1_7 C_GB1_17 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 147 + CG_GB1_7 N_GB1_17 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 141 + CG_GB1_7 OG1_GB1_17 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 62 145 + CG_GB1_7 C_GB1_17 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 147 CG_GB1_7 O_GB1_17 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 148 - CG_GB1_7 N_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 149 - CG_GB1_7 OG1_GB1_18 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 62 153 - CG_GB1_7 C_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 155 + CG_GB1_7 N_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 149 + CG_GB1_7 OG1_GB1_18 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 62 153 + CG_GB1_7 C_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 155 CG_GB1_7 O_GB1_18 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 156 - CG_GB1_7 N_GB1_19 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 157 - CG_GB1_7 CD_GB1_19 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 162 - CG_GB1_7 OE1_GB1_19 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 62 163 - CG_GB1_7 OE2_GB1_19 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 62 164 - CG_GB1_7 C_GB1_19 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 165 + CG_GB1_7 N_GB1_19 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 157 + CG_GB1_7 CD_GB1_19 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 162 + CG_GB1_7 OE1_GB1_19 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 62 163 + CG_GB1_7 OE2_GB1_19 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 62 164 + CG_GB1_7 C_GB1_19 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 165 CG_GB1_7 O_GB1_19 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 166 - CG_GB1_7 N_GB1_20 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 167 - CG_GB1_7 C_GB1_20 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 171 + CG_GB1_7 N_GB1_20 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 167 + CG_GB1_7 C_GB1_20 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 171 CG_GB1_7 O_GB1_20 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 172 - CG_GB1_7 N_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 173 - CG_GB1_7 C_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 179 + CG_GB1_7 N_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 173 + CG_GB1_7 C_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 179 CG_GB1_7 O_GB1_21 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 180 - CG_GB1_7 N_GB1_22 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 181 - CG_GB1_7 CG_GB1_22 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 185 - CG_GB1_7 OD1_GB1_22 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 62 186 - CG_GB1_7 OD2_GB1_22 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 62 187 - CG_GB1_7 C_GB1_22 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 188 + CG_GB1_7 N_GB1_22 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 181 + CG_GB1_7 CG_GB1_22 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 185 + CG_GB1_7 OD1_GB1_22 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 62 186 + CG_GB1_7 OD2_GB1_22 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 62 187 + CG_GB1_7 C_GB1_22 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 188 CG_GB1_7 O_GB1_22 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 189 - CG_GB1_7 N_GB1_23 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 190 - CG_GB1_7 C_GB1_23 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 194 + CG_GB1_7 N_GB1_23 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 190 + CG_GB1_7 C_GB1_23 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 194 CG_GB1_7 O_GB1_23 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 195 - CG_GB1_7 N_GB1_24 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 196 - CG_GB1_7 C_GB1_24 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 200 + CG_GB1_7 N_GB1_24 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 196 + CG_GB1_7 C_GB1_24 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 200 CG_GB1_7 O_GB1_24 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 201 - CG_GB1_7 N_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 202 - CG_GB1_7 OG1_GB1_25 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 62 206 - CG_GB1_7 C_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 208 + CG_GB1_7 N_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 202 + CG_GB1_7 OG1_GB1_25 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 62 206 + CG_GB1_7 C_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 208 CG_GB1_7 O_GB1_25 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 209 - CG_GB1_7 N_GB1_26 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 210 - CG_GB1_7 C_GB1_26 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 214 + CG_GB1_7 N_GB1_26 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 210 + CG_GB1_7 C_GB1_26 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 214 CG_GB1_7 O_GB1_26 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 215 - CG_GB1_7 N_GB1_27 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 216 - CG_GB1_7 CD_GB1_27 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 221 - CG_GB1_7 OE1_GB1_27 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 62 222 - CG_GB1_7 OE2_GB1_27 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 62 223 - CG_GB1_7 C_GB1_27 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 224 + CG_GB1_7 N_GB1_27 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 216 + CG_GB1_7 CD_GB1_27 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 221 + CG_GB1_7 OE1_GB1_27 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 62 222 + CG_GB1_7 OE2_GB1_27 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 62 223 + CG_GB1_7 C_GB1_27 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 224 CG_GB1_7 O_GB1_27 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 225 - CG_GB1_7 N_GB1_28 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 226 - CG_GB1_7 NZ_GB1_28 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 233 - CG_GB1_7 C_GB1_28 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 234 + CG_GB1_7 N_GB1_28 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 226 + CG_GB1_7 NZ_GB1_28 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 233 + CG_GB1_7 C_GB1_28 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 234 CG_GB1_7 O_GB1_28 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 235 - CG_GB1_7 N_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 236 - CG_GB1_7 C_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 242 + CG_GB1_7 N_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 236 + CG_GB1_7 C_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 242 CG_GB1_7 O_GB1_29 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 243 - CG_GB1_7 N_GB1_30 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 244 - CG_GB1_7 C_GB1_30 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 254 + CG_GB1_7 N_GB1_30 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 244 + CG_GB1_7 C_GB1_30 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 254 CG_GB1_7 O_GB1_30 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 255 - CG_GB1_7 N_GB1_31 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 256 - CG_GB1_7 NZ_GB1_31 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 263 - CG_GB1_7 C_GB1_31 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 264 + CG_GB1_7 N_GB1_31 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 256 + CG_GB1_7 NZ_GB1_31 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 263 + CG_GB1_7 C_GB1_31 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 264 CG_GB1_7 O_GB1_31 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 265 - CG_GB1_7 N_GB1_32 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 266 - CG_GB1_7 CD_GB1_32 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 271 + CG_GB1_7 N_GB1_32 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 266 + CG_GB1_7 CD_GB1_32 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 271 CG_GB1_7 OE1_GB1_32 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 272 - CG_GB1_7 NE2_GB1_32 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 62 273 - CG_GB1_7 C_GB1_32 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 274 + CG_GB1_7 NE2_GB1_32 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 62 273 + CG_GB1_7 C_GB1_32 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 274 CG_GB1_7 O_GB1_32 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 275 - CG_GB1_7 N_GB1_33 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 276 - CG_GB1_7 OH_GB1_33 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 62 286 - CG_GB1_7 C_GB1_33 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 287 + CG_GB1_7 N_GB1_33 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 276 + CG_GB1_7 OH_GB1_33 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 62 286 + CG_GB1_7 C_GB1_33 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 287 CG_GB1_7 O_GB1_33 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 288 - CG_GB1_7 N_GB1_34 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 289 - CG_GB1_7 C_GB1_34 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 293 + CG_GB1_7 N_GB1_34 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 289 + CG_GB1_7 C_GB1_34 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 293 CG_GB1_7 O_GB1_34 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 294 - CG_GB1_7 N_GB1_35 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 295 - CG_GB1_7 CG_GB1_35 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 299 + CG_GB1_7 N_GB1_35 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 295 + CG_GB1_7 CG_GB1_35 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 299 CG_GB1_7 OD1_GB1_35 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 300 - CG_GB1_7 ND2_GB1_35 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 62 301 - CG_GB1_7 C_GB1_35 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 302 + CG_GB1_7 ND2_GB1_35 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 62 301 + CG_GB1_7 C_GB1_35 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 302 CG_GB1_7 O_GB1_35 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 303 - CG_GB1_7 N_GB1_36 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 304 - CG_GB1_7 CG_GB1_36 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 308 - CG_GB1_7 OD1_GB1_36 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 62 309 - CG_GB1_7 OD2_GB1_36 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 62 310 - CG_GB1_7 C_GB1_36 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 311 + CG_GB1_7 N_GB1_36 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 304 + CG_GB1_7 CG_GB1_36 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 308 + CG_GB1_7 OD1_GB1_36 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 62 309 + CG_GB1_7 OD2_GB1_36 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 62 310 + CG_GB1_7 C_GB1_36 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 311 CG_GB1_7 O_GB1_36 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 312 - CG_GB1_7 N_GB1_37 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 313 - CG_GB1_7 CG_GB1_37 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 317 + CG_GB1_7 N_GB1_37 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 313 + CG_GB1_7 CG_GB1_37 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 317 CG_GB1_7 OD1_GB1_37 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 318 - CG_GB1_7 ND2_GB1_37 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 62 319 - CG_GB1_7 C_GB1_37 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 320 + CG_GB1_7 ND2_GB1_37 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 62 319 + CG_GB1_7 C_GB1_37 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 320 CG_GB1_7 O_GB1_37 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 321 - CG_GB1_7 N_GB1_38 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 322 - CG_GB1_7 C_GB1_38 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 325 + CG_GB1_7 N_GB1_38 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 322 + CG_GB1_7 C_GB1_38 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 325 CG_GB1_7 O_GB1_38 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 326 - CG_GB1_7 N_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 327 - CG_GB1_7 C_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 333 + CG_GB1_7 N_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 327 + CG_GB1_7 C_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 333 CG_GB1_7 O_GB1_39 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 334 - CG_GB1_7 N_GB1_40 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 335 - CG_GB1_7 CG_GB1_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 339 - CG_GB1_7 OD1_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 62 340 - CG_GB1_7 OD2_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 62 341 - CG_GB1_7 C_GB1_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 342 + CG_GB1_7 N_GB1_40 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 335 + CG_GB1_7 CG_GB1_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 339 + CG_GB1_7 OD1_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 62 340 + CG_GB1_7 OD2_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 62 341 + CG_GB1_7 C_GB1_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 342 CG_GB1_7 O_GB1_40 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 343 - CG_GB1_7 N_GB1_41 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 344 - CG_GB1_7 C_GB1_41 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 347 + CG_GB1_7 N_GB1_41 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 344 + CG_GB1_7 C_GB1_41 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 347 CG_GB1_7 O_GB1_41 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 348 - CG_GB1_7 N_GB1_42 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 349 - CG_GB1_7 CD_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 354 - CG_GB1_7 OE1_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 62 355 - CG_GB1_7 OE2_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 62 356 - CG_GB1_7 C_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 357 + CG_GB1_7 N_GB1_42 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 349 + CG_GB1_7 CD_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 354 + CG_GB1_7 OE1_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 62 355 + CG_GB1_7 OE2_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 62 356 + CG_GB1_7 C_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 357 CG_GB1_7 O_GB1_42 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 358 - CG_GB1_7 N_GB1_43 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 359 - CG_GB1_7 NE1_GB1_43 1 0.000000e+00 9.937288e-06 ; 8.853117e-06 -9.937288e-06 1.0 1.0 1.0 1.0 False mg 7 62 366 - CG_GB1_7 C_GB1_43 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 372 + CG_GB1_7 N_GB1_43 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 359 + CG_GB1_7 NE1_GB1_43 1 0.000000e+00 9.937231e-06 ; 8.853066e-06 -9.937231e-06 1.0 1.0 1.0 1.0 False mg 7 62 366 + CG_GB1_7 C_GB1_43 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 372 CG_GB1_7 O_GB1_43 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 373 - CG_GB1_7 N_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 374 - CG_GB1_7 OG1_GB1_44 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 62 378 - CG_GB1_7 C_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 380 + CG_GB1_7 N_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 374 + CG_GB1_7 OG1_GB1_44 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 62 378 + CG_GB1_7 C_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 380 CG_GB1_7 O_GB1_44 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 381 - CG_GB1_7 N_GB1_45 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 382 - CG_GB1_7 OH_GB1_45 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 62 392 - CG_GB1_7 C_GB1_45 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 393 + CG_GB1_7 N_GB1_45 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 382 + CG_GB1_7 OH_GB1_45 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 62 392 + CG_GB1_7 C_GB1_45 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 393 CG_GB1_7 O_GB1_45 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 394 - CG_GB1_7 N_GB1_46 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 395 - CG_GB1_7 CG_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 399 - CG_GB1_7 OD1_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 62 400 - CG_GB1_7 OD2_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 62 401 - CG_GB1_7 C_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 402 + CG_GB1_7 N_GB1_46 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 395 + CG_GB1_7 CG_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 399 + CG_GB1_7 OD1_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 62 400 + CG_GB1_7 OD2_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 62 401 + CG_GB1_7 C_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 402 CG_GB1_7 O_GB1_46 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 403 - CG_GB1_7 N_GB1_47 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 404 - CG_GB1_7 CG_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 408 - CG_GB1_7 OD1_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 62 409 - CG_GB1_7 OD2_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 62 410 - CG_GB1_7 C_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 411 + CG_GB1_7 N_GB1_47 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 404 + CG_GB1_7 CG_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 408 + CG_GB1_7 OD1_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 62 409 + CG_GB1_7 OD2_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 62 410 + CG_GB1_7 C_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 411 CG_GB1_7 O_GB1_47 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 412 - CG_GB1_7 N_GB1_48 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 413 - CG_GB1_7 C_GB1_48 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 417 + CG_GB1_7 N_GB1_48 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 413 + CG_GB1_7 C_GB1_48 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 417 CG_GB1_7 O_GB1_48 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 418 - CG_GB1_7 N_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 419 - CG_GB1_7 OG1_GB1_49 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 62 423 - CG_GB1_7 C_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 425 + CG_GB1_7 N_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 419 + CG_GB1_7 OG1_GB1_49 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 62 423 + CG_GB1_7 C_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 425 CG_GB1_7 O_GB1_49 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 426 - CG_GB1_7 N_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 427 - CG_GB1_7 NZ_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 434 - CG_GB1_7 C_GB1_50 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 435 + CG_GB1_7 N_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 427 + CG_GB1_7 NZ_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 434 + CG_GB1_7 C_GB1_50 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 435 CG_GB1_7 O_GB1_50 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 436 - CG_GB1_7 N_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 437 - CG_GB1_7 OG1_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 62 441 - CG_GB1_7 C_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 443 + CG_GB1_7 N_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 437 + CG_GB1_7 OG1_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 62 441 + CG_GB1_7 C_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 443 CG_GB1_7 O_GB1_51 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 444 - CG_GB1_7 N_GB1_52 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 445 - CG_GB1_7 C_GB1_52 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 455 + CG_GB1_7 N_GB1_52 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 445 + CG_GB1_7 C_GB1_52 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 455 CG_GB1_7 O_GB1_52 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 456 - CG_GB1_7 N_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 457 - CG_GB1_7 OG1_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 62 461 - CG_GB1_7 C_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 463 + CG_GB1_7 N_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 457 + CG_GB1_7 OG1_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 62 461 + CG_GB1_7 C_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 463 CG_GB1_7 O_GB1_53 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 464 - CG_GB1_7 N_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 465 - CG_GB1_7 C_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 471 + CG_GB1_7 N_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 465 + CG_GB1_7 C_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 471 CG_GB1_7 O_GB1_54 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 472 - CG_GB1_7 N_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 473 - CG_GB1_7 OG1_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 62 477 - CG_GB1_7 C_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 479 + CG_GB1_7 N_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 473 + CG_GB1_7 OG1_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 62 477 + CG_GB1_7 C_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 479 CG_GB1_7 O_GB1_55 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 62 480 - CG_GB1_7 N_GB1_56 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 62 481 - CG_GB1_7 CD_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 486 - CG_GB1_7 OE1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 62 487 - CG_GB1_7 OE2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 62 488 - CG_GB1_7 C_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 62 489 - CG_GB1_7 O1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 62 490 - CG_GB1_7 O2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 62 491 - CD1_GB1_7 C_GB1_7 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 65 + CG_GB1_7 N_GB1_56 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 62 481 + CG_GB1_7 CD_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 486 + CG_GB1_7 OE1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 62 487 + CG_GB1_7 OE2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 62 488 + CG_GB1_7 C_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 62 489 + CG_GB1_7 O1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 62 490 + CG_GB1_7 O2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 62 491 + CD1_GB1_7 C_GB1_7 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 65 CD1_GB1_7 O_GB1_7 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 66 - CD1_GB1_7 N_GB1_8 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 67 - CD1_GB1_7 CG_GB1_8 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 71 + CD1_GB1_7 N_GB1_8 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 67 + CD1_GB1_7 CG_GB1_8 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 71 CD1_GB1_7 OD1_GB1_8 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 72 - CD1_GB1_7 ND2_GB1_8 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 63 73 - CD1_GB1_7 C_GB1_8 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 74 + CD1_GB1_7 ND2_GB1_8 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 63 73 + CD1_GB1_7 C_GB1_8 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 74 CD1_GB1_7 O_GB1_8 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 75 - CD1_GB1_7 N_GB1_9 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 76 - CD1_GB1_7 C_GB1_9 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 79 + CD1_GB1_7 N_GB1_9 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 76 + CD1_GB1_7 C_GB1_9 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 79 CD1_GB1_7 O_GB1_9 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 80 - CD1_GB1_7 N_GB1_10 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 81 - CD1_GB1_7 NZ_GB1_10 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 88 - CD1_GB1_7 C_GB1_10 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 89 + CD1_GB1_7 N_GB1_10 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 81 + CD1_GB1_7 NZ_GB1_10 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 88 + CD1_GB1_7 C_GB1_10 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 89 CD1_GB1_7 O_GB1_10 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 90 - CD1_GB1_7 N_GB1_11 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 91 - CD1_GB1_7 OG1_GB1_11 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 63 95 - CD1_GB1_7 C_GB1_11 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 97 + CD1_GB1_7 N_GB1_11 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 91 + CD1_GB1_7 OG1_GB1_11 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 63 95 + CD1_GB1_7 C_GB1_11 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 97 CD1_GB1_7 O_GB1_11 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 98 - CD1_GB1_7 N_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 99 - CD1_GB1_7 C_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 106 + CD1_GB1_7 N_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 99 + CD1_GB1_7 C_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 106 CD1_GB1_7 O_GB1_12 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 107 - CD1_GB1_7 N_GB1_13 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 108 - CD1_GB1_7 NZ_GB1_13 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 115 - CD1_GB1_7 C_GB1_13 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 116 + CD1_GB1_7 N_GB1_13 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 108 + CD1_GB1_7 NZ_GB1_13 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 115 + CD1_GB1_7 C_GB1_13 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 116 CD1_GB1_7 O_GB1_13 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 117 - CD1_GB1_7 N_GB1_14 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 118 - CD1_GB1_7 C_GB1_14 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 121 + CD1_GB1_7 N_GB1_14 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 118 + CD1_GB1_7 C_GB1_14 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 121 CD1_GB1_7 O_GB1_14 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 122 - CD1_GB1_7 N_GB1_15 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 123 - CD1_GB1_7 CD_GB1_15 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 128 + CD1_GB1_7 N_GB1_15 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 123 + CD1_GB1_7 CD_GB1_15 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 128 CD1_GB1_7 OE1_GB1_15 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 63 129 CD1_GB1_7 OE2_GB1_15 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 63 130 - CD1_GB1_7 C_GB1_15 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 131 + CD1_GB1_7 C_GB1_15 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 131 CD1_GB1_7 O_GB1_15 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 132 - CD1_GB1_7 N_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 133 - CD1_GB1_7 OG1_GB1_16 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 63 137 - CD1_GB1_7 C_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 139 + CD1_GB1_7 N_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 133 + CD1_GB1_7 OG1_GB1_16 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 63 137 + CD1_GB1_7 C_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 139 CD1_GB1_7 O_GB1_16 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 140 - CD1_GB1_7 N_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 141 - CD1_GB1_7 OG1_GB1_17 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 63 145 - CD1_GB1_7 C_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 147 + CD1_GB1_7 N_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 141 + CD1_GB1_7 OG1_GB1_17 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 63 145 + CD1_GB1_7 C_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 147 CD1_GB1_7 O_GB1_17 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 148 - CD1_GB1_7 N_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 149 - CD1_GB1_7 OG1_GB1_18 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 63 153 - CD1_GB1_7 C_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 155 + CD1_GB1_7 N_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 149 + CD1_GB1_7 OG1_GB1_18 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 63 153 + CD1_GB1_7 C_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 155 CD1_GB1_7 O_GB1_18 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 156 - CD1_GB1_7 N_GB1_19 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 157 - CD1_GB1_7 CD_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 162 + CD1_GB1_7 N_GB1_19 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 157 + CD1_GB1_7 CD_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 162 CD1_GB1_7 OE1_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 63 163 CD1_GB1_7 OE2_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 63 164 - CD1_GB1_7 C_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 165 + CD1_GB1_7 C_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 165 CD1_GB1_7 O_GB1_19 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 166 - CD1_GB1_7 N_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 167 - CD1_GB1_7 C_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 171 + CD1_GB1_7 N_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 167 + CD1_GB1_7 C_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 171 CD1_GB1_7 O_GB1_20 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 172 - CD1_GB1_7 N_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 173 - CD1_GB1_7 C_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 179 + CD1_GB1_7 N_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 173 + CD1_GB1_7 C_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 179 CD1_GB1_7 O_GB1_21 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 180 - CD1_GB1_7 N_GB1_22 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 181 - CD1_GB1_7 CG_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 185 + CD1_GB1_7 N_GB1_22 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 181 + CD1_GB1_7 CG_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 185 CD1_GB1_7 OD1_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 63 186 CD1_GB1_7 OD2_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 63 187 - CD1_GB1_7 C_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 188 + CD1_GB1_7 C_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 188 CD1_GB1_7 O_GB1_22 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 189 - CD1_GB1_7 N_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 190 - CD1_GB1_7 C_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 194 + CD1_GB1_7 N_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 190 + CD1_GB1_7 C_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 194 CD1_GB1_7 O_GB1_23 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 195 - CD1_GB1_7 N_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 196 - CD1_GB1_7 C_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 200 + CD1_GB1_7 N_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 196 + CD1_GB1_7 C_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 200 CD1_GB1_7 O_GB1_24 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 201 - CD1_GB1_7 N_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 202 - CD1_GB1_7 OG1_GB1_25 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 63 206 - CD1_GB1_7 C_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 208 + CD1_GB1_7 N_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 202 + CD1_GB1_7 OG1_GB1_25 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 63 206 + CD1_GB1_7 C_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 208 CD1_GB1_7 O_GB1_25 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 209 - CD1_GB1_7 N_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 210 - CD1_GB1_7 C_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 214 + CD1_GB1_7 N_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 210 + CD1_GB1_7 C_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 214 CD1_GB1_7 O_GB1_26 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 215 - CD1_GB1_7 N_GB1_27 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 216 - CD1_GB1_7 CD_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 221 + CD1_GB1_7 N_GB1_27 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 216 + CD1_GB1_7 CD_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 221 CD1_GB1_7 OE1_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 63 222 CD1_GB1_7 OE2_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 63 223 - CD1_GB1_7 C_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 224 + CD1_GB1_7 C_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 224 CD1_GB1_7 O_GB1_27 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 225 - CD1_GB1_7 N_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 226 - CD1_GB1_7 NZ_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 233 - CD1_GB1_7 C_GB1_28 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 234 + CD1_GB1_7 N_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 226 + CD1_GB1_7 NZ_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 233 + CD1_GB1_7 C_GB1_28 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 234 CD1_GB1_7 O_GB1_28 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 235 - CD1_GB1_7 N_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 236 - CD1_GB1_7 C_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 242 + CD1_GB1_7 N_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 236 + CD1_GB1_7 C_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 242 CD1_GB1_7 O_GB1_29 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 243 - CD1_GB1_7 N_GB1_30 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 244 - CD1_GB1_7 C_GB1_30 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 254 + CD1_GB1_7 N_GB1_30 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 244 + CD1_GB1_7 C_GB1_30 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 254 CD1_GB1_7 O_GB1_30 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 255 - CD1_GB1_7 N_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 256 - CD1_GB1_7 NZ_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 263 - CD1_GB1_7 C_GB1_31 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 264 + CD1_GB1_7 N_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 256 + CD1_GB1_7 NZ_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 263 + CD1_GB1_7 C_GB1_31 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 264 CD1_GB1_7 O_GB1_31 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 265 - CD1_GB1_7 N_GB1_32 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 266 - CD1_GB1_7 CD_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 271 + CD1_GB1_7 N_GB1_32 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 266 + CD1_GB1_7 CD_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 271 CD1_GB1_7 OE1_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 272 - CD1_GB1_7 NE2_GB1_32 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 63 273 - CD1_GB1_7 C_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 274 + CD1_GB1_7 NE2_GB1_32 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 63 273 + CD1_GB1_7 C_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 274 CD1_GB1_7 O_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 275 - CD1_GB1_7 N_GB1_33 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 276 - CD1_GB1_7 OH_GB1_33 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 63 286 - CD1_GB1_7 C_GB1_33 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 287 + CD1_GB1_7 N_GB1_33 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 276 + CD1_GB1_7 OH_GB1_33 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 63 286 + CD1_GB1_7 C_GB1_33 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 287 CD1_GB1_7 O_GB1_33 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 288 - CD1_GB1_7 N_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 289 - CD1_GB1_7 C_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 293 + CD1_GB1_7 N_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 289 + CD1_GB1_7 C_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 293 CD1_GB1_7 O_GB1_34 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 294 - CD1_GB1_7 N_GB1_35 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 295 - CD1_GB1_7 CG_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 299 + CD1_GB1_7 N_GB1_35 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 295 + CD1_GB1_7 CG_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 299 CD1_GB1_7 OD1_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 300 - CD1_GB1_7 ND2_GB1_35 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 63 301 - CD1_GB1_7 C_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 302 + CD1_GB1_7 ND2_GB1_35 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 63 301 + CD1_GB1_7 C_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 302 CD1_GB1_7 O_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 303 - CD1_GB1_7 N_GB1_36 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 304 - CD1_GB1_7 CG_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 308 + CD1_GB1_7 N_GB1_36 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 304 + CD1_GB1_7 CG_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 308 CD1_GB1_7 OD1_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 63 309 CD1_GB1_7 OD2_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 63 310 - CD1_GB1_7 C_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 311 + CD1_GB1_7 C_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 311 CD1_GB1_7 O_GB1_36 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 312 - CD1_GB1_7 N_GB1_37 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 313 - CD1_GB1_7 CG_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 317 + CD1_GB1_7 N_GB1_37 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 313 + CD1_GB1_7 CG_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 317 CD1_GB1_7 OD1_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 318 - CD1_GB1_7 ND2_GB1_37 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 63 319 - CD1_GB1_7 C_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 320 + CD1_GB1_7 ND2_GB1_37 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 63 319 + CD1_GB1_7 C_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 320 CD1_GB1_7 O_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 321 - CD1_GB1_7 N_GB1_38 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 322 - CD1_GB1_7 C_GB1_38 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 325 + CD1_GB1_7 N_GB1_38 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 322 + CD1_GB1_7 C_GB1_38 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 325 CD1_GB1_7 O_GB1_38 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 326 - CD1_GB1_7 N_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 327 - CD1_GB1_7 C_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 333 + CD1_GB1_7 N_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 327 + CD1_GB1_7 C_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 333 CD1_GB1_7 O_GB1_39 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 334 - CD1_GB1_7 N_GB1_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 335 - CD1_GB1_7 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 339 + CD1_GB1_7 N_GB1_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 335 + CD1_GB1_7 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 339 CD1_GB1_7 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 63 340 CD1_GB1_7 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 63 341 - CD1_GB1_7 C_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 342 + CD1_GB1_7 C_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 342 CD1_GB1_7 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 343 - CD1_GB1_7 N_GB1_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 344 - CD1_GB1_7 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 347 + CD1_GB1_7 N_GB1_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 344 + CD1_GB1_7 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 347 CD1_GB1_7 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 348 - CD1_GB1_7 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 349 - CD1_GB1_7 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 354 + CD1_GB1_7 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 349 + CD1_GB1_7 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 354 CD1_GB1_7 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 63 355 CD1_GB1_7 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 63 356 - CD1_GB1_7 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 357 + CD1_GB1_7 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 357 CD1_GB1_7 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 358 - CD1_GB1_7 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 359 - CD1_GB1_7 NE1_GB1_43 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.0 1.0 1.0 1.0 False mg 7 63 366 - CD1_GB1_7 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 372 + CD1_GB1_7 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 359 + CD1_GB1_7 NE1_GB1_43 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.0 1.0 1.0 1.0 False mg 7 63 366 + CD1_GB1_7 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 372 CD1_GB1_7 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 373 - CD1_GB1_7 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 374 - CD1_GB1_7 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 63 378 - CD1_GB1_7 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 380 + CD1_GB1_7 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 374 + CD1_GB1_7 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 63 378 + CD1_GB1_7 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 380 CD1_GB1_7 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 381 - CD1_GB1_7 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 382 - CD1_GB1_7 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 63 392 - CD1_GB1_7 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 393 + CD1_GB1_7 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 382 + CD1_GB1_7 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 63 392 + CD1_GB1_7 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 393 CD1_GB1_7 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 394 - CD1_GB1_7 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 395 - CD1_GB1_7 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 399 + CD1_GB1_7 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 395 + CD1_GB1_7 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 399 CD1_GB1_7 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 63 400 CD1_GB1_7 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 63 401 - CD1_GB1_7 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 402 + CD1_GB1_7 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 402 CD1_GB1_7 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 403 - CD1_GB1_7 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 404 - CD1_GB1_7 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 408 + CD1_GB1_7 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 404 + CD1_GB1_7 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 408 CD1_GB1_7 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 63 409 CD1_GB1_7 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 63 410 - CD1_GB1_7 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 411 + CD1_GB1_7 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 411 CD1_GB1_7 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 412 - CD1_GB1_7 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 413 - CD1_GB1_7 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 417 + CD1_GB1_7 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 413 + CD1_GB1_7 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 417 CD1_GB1_7 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 418 - CD1_GB1_7 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 419 - CD1_GB1_7 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 63 423 - CD1_GB1_7 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 425 + CD1_GB1_7 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 419 + CD1_GB1_7 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 63 423 + CD1_GB1_7 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 425 CD1_GB1_7 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 426 - CD1_GB1_7 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 427 - CD1_GB1_7 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 434 - CD1_GB1_7 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 435 + CD1_GB1_7 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 427 + CD1_GB1_7 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 434 + CD1_GB1_7 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 435 CD1_GB1_7 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 436 - CD1_GB1_7 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 437 - CD1_GB1_7 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 63 441 - CD1_GB1_7 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 443 + CD1_GB1_7 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 437 + CD1_GB1_7 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 63 441 + CD1_GB1_7 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 443 CD1_GB1_7 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 444 - CD1_GB1_7 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 445 - CD1_GB1_7 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 455 + CD1_GB1_7 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 445 + CD1_GB1_7 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 455 CD1_GB1_7 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 456 - CD1_GB1_7 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 457 - CD1_GB1_7 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 63 461 - CD1_GB1_7 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 463 + CD1_GB1_7 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 457 + CD1_GB1_7 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 63 461 + CD1_GB1_7 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 463 CD1_GB1_7 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 464 - CD1_GB1_7 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 465 - CD1_GB1_7 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 471 + CD1_GB1_7 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 465 + CD1_GB1_7 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 471 CD1_GB1_7 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 472 - CD1_GB1_7 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 473 - CD1_GB1_7 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 63 477 - CD1_GB1_7 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 479 + CD1_GB1_7 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 473 + CD1_GB1_7 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 63 477 + CD1_GB1_7 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 479 CD1_GB1_7 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 63 480 - CD1_GB1_7 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 63 481 - CD1_GB1_7 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 486 + CD1_GB1_7 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 63 481 + CD1_GB1_7 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 486 CD1_GB1_7 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 63 487 CD1_GB1_7 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 63 488 - CD1_GB1_7 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 63 489 + CD1_GB1_7 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 63 489 CD1_GB1_7 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 63 490 CD1_GB1_7 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 63 491 - CD2_GB1_7 C_GB1_7 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 65 + CD2_GB1_7 C_GB1_7 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 65 CD2_GB1_7 O_GB1_7 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 66 - CD2_GB1_7 N_GB1_8 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 67 - CD2_GB1_7 CG_GB1_8 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 71 + CD2_GB1_7 N_GB1_8 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 67 + CD2_GB1_7 CG_GB1_8 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 71 CD2_GB1_7 OD1_GB1_8 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 72 - CD2_GB1_7 ND2_GB1_8 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 64 73 - CD2_GB1_7 C_GB1_8 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 74 + CD2_GB1_7 ND2_GB1_8 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 64 73 + CD2_GB1_7 C_GB1_8 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 74 CD2_GB1_7 O_GB1_8 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 75 - CD2_GB1_7 N_GB1_9 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 76 - CD2_GB1_7 C_GB1_9 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 79 + CD2_GB1_7 N_GB1_9 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 76 + CD2_GB1_7 C_GB1_9 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 79 CD2_GB1_7 O_GB1_9 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 80 - CD2_GB1_7 N_GB1_10 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 81 - CD2_GB1_7 NZ_GB1_10 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 88 - CD2_GB1_7 C_GB1_10 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 89 + CD2_GB1_7 N_GB1_10 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 81 + CD2_GB1_7 NZ_GB1_10 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 88 + CD2_GB1_7 C_GB1_10 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 89 CD2_GB1_7 O_GB1_10 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 90 - CD2_GB1_7 N_GB1_11 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 91 - CD2_GB1_7 OG1_GB1_11 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 64 95 - CD2_GB1_7 C_GB1_11 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 97 + CD2_GB1_7 N_GB1_11 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 91 + CD2_GB1_7 OG1_GB1_11 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 64 95 + CD2_GB1_7 C_GB1_11 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 97 CD2_GB1_7 O_GB1_11 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 98 - CD2_GB1_7 N_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 99 - CD2_GB1_7 C_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 106 + CD2_GB1_7 N_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 99 + CD2_GB1_7 C_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 106 CD2_GB1_7 O_GB1_12 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 107 - CD2_GB1_7 N_GB1_13 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 108 - CD2_GB1_7 NZ_GB1_13 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 115 - CD2_GB1_7 C_GB1_13 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 116 + CD2_GB1_7 N_GB1_13 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 108 + CD2_GB1_7 NZ_GB1_13 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 115 + CD2_GB1_7 C_GB1_13 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 116 CD2_GB1_7 O_GB1_13 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 117 - CD2_GB1_7 N_GB1_14 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 118 - CD2_GB1_7 C_GB1_14 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 121 + CD2_GB1_7 N_GB1_14 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 118 + CD2_GB1_7 C_GB1_14 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 121 CD2_GB1_7 O_GB1_14 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 122 - CD2_GB1_7 N_GB1_15 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 123 - CD2_GB1_7 CD_GB1_15 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 128 + CD2_GB1_7 N_GB1_15 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 123 + CD2_GB1_7 CD_GB1_15 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 128 CD2_GB1_7 OE1_GB1_15 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 64 129 CD2_GB1_7 OE2_GB1_15 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 64 130 - CD2_GB1_7 C_GB1_15 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 131 + CD2_GB1_7 C_GB1_15 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 131 CD2_GB1_7 O_GB1_15 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 132 - CD2_GB1_7 N_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 133 - CD2_GB1_7 OG1_GB1_16 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 64 137 - CD2_GB1_7 C_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 139 + CD2_GB1_7 N_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 133 + CD2_GB1_7 OG1_GB1_16 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 64 137 + CD2_GB1_7 C_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 139 CD2_GB1_7 O_GB1_16 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 140 - CD2_GB1_7 N_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 141 - CD2_GB1_7 OG1_GB1_17 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 64 145 - CD2_GB1_7 C_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 147 + CD2_GB1_7 N_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 141 + CD2_GB1_7 OG1_GB1_17 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 64 145 + CD2_GB1_7 C_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 147 CD2_GB1_7 O_GB1_17 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 148 - CD2_GB1_7 N_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 149 - CD2_GB1_7 OG1_GB1_18 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 64 153 - CD2_GB1_7 C_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 155 + CD2_GB1_7 N_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 149 + CD2_GB1_7 OG1_GB1_18 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 64 153 + CD2_GB1_7 C_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 155 CD2_GB1_7 O_GB1_18 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 156 - CD2_GB1_7 N_GB1_19 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 157 - CD2_GB1_7 CD_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 162 + CD2_GB1_7 N_GB1_19 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 157 + CD2_GB1_7 CD_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 162 CD2_GB1_7 OE1_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 64 163 CD2_GB1_7 OE2_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 64 164 - CD2_GB1_7 C_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 165 + CD2_GB1_7 C_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 165 CD2_GB1_7 O_GB1_19 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 166 - CD2_GB1_7 N_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 167 - CD2_GB1_7 C_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 171 + CD2_GB1_7 N_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 167 + CD2_GB1_7 C_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 171 CD2_GB1_7 O_GB1_20 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 172 - CD2_GB1_7 N_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 173 - CD2_GB1_7 C_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 179 + CD2_GB1_7 N_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 173 + CD2_GB1_7 C_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 179 CD2_GB1_7 O_GB1_21 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 180 - CD2_GB1_7 N_GB1_22 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 181 - CD2_GB1_7 CG_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 185 + CD2_GB1_7 N_GB1_22 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 181 + CD2_GB1_7 CG_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 185 CD2_GB1_7 OD1_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 64 186 CD2_GB1_7 OD2_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 64 187 - CD2_GB1_7 C_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 188 + CD2_GB1_7 C_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 188 CD2_GB1_7 O_GB1_22 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 189 - CD2_GB1_7 N_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 190 - CD2_GB1_7 C_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 194 + CD2_GB1_7 N_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 190 + CD2_GB1_7 C_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 194 CD2_GB1_7 O_GB1_23 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 195 - CD2_GB1_7 N_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 196 - CD2_GB1_7 C_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 200 + CD2_GB1_7 N_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 196 + CD2_GB1_7 C_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 200 CD2_GB1_7 O_GB1_24 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 201 - CD2_GB1_7 N_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 202 - CD2_GB1_7 OG1_GB1_25 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 64 206 - CD2_GB1_7 C_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 208 + CD2_GB1_7 N_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 202 + CD2_GB1_7 OG1_GB1_25 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 64 206 + CD2_GB1_7 C_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 208 CD2_GB1_7 O_GB1_25 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 209 - CD2_GB1_7 N_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 210 - CD2_GB1_7 C_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 214 + CD2_GB1_7 N_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 210 + CD2_GB1_7 C_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 214 CD2_GB1_7 O_GB1_26 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 215 - CD2_GB1_7 N_GB1_27 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 216 - CD2_GB1_7 CD_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 221 + CD2_GB1_7 N_GB1_27 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 216 + CD2_GB1_7 CD_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 221 CD2_GB1_7 OE1_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 64 222 CD2_GB1_7 OE2_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 64 223 - CD2_GB1_7 C_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 224 + CD2_GB1_7 C_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 224 CD2_GB1_7 O_GB1_27 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 225 - CD2_GB1_7 N_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 226 - CD2_GB1_7 NZ_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 233 - CD2_GB1_7 C_GB1_28 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 234 + CD2_GB1_7 N_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 226 + CD2_GB1_7 NZ_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 233 + CD2_GB1_7 C_GB1_28 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 234 CD2_GB1_7 O_GB1_28 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 235 - CD2_GB1_7 N_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 236 - CD2_GB1_7 C_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 242 + CD2_GB1_7 N_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 236 + CD2_GB1_7 C_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 242 CD2_GB1_7 O_GB1_29 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 243 - CD2_GB1_7 N_GB1_30 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 244 - CD2_GB1_7 C_GB1_30 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 254 + CD2_GB1_7 N_GB1_30 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 244 + CD2_GB1_7 C_GB1_30 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 254 CD2_GB1_7 O_GB1_30 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 255 - CD2_GB1_7 N_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 256 - CD2_GB1_7 NZ_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 263 - CD2_GB1_7 C_GB1_31 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 264 + CD2_GB1_7 N_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 256 + CD2_GB1_7 NZ_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 263 + CD2_GB1_7 C_GB1_31 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 264 CD2_GB1_7 O_GB1_31 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 265 - CD2_GB1_7 N_GB1_32 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 266 - CD2_GB1_7 CD_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 271 + CD2_GB1_7 N_GB1_32 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 266 + CD2_GB1_7 CD_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 271 CD2_GB1_7 OE1_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 272 - CD2_GB1_7 NE2_GB1_32 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 64 273 - CD2_GB1_7 C_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 274 + CD2_GB1_7 NE2_GB1_32 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 64 273 + CD2_GB1_7 C_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 274 CD2_GB1_7 O_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 275 - CD2_GB1_7 N_GB1_33 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 276 - CD2_GB1_7 OH_GB1_33 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 64 286 - CD2_GB1_7 C_GB1_33 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 287 + CD2_GB1_7 N_GB1_33 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 276 + CD2_GB1_7 OH_GB1_33 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 64 286 + CD2_GB1_7 C_GB1_33 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 287 CD2_GB1_7 O_GB1_33 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 288 - CD2_GB1_7 N_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 289 - CD2_GB1_7 C_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 293 + CD2_GB1_7 N_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 289 + CD2_GB1_7 C_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 293 CD2_GB1_7 O_GB1_34 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 294 - CD2_GB1_7 N_GB1_35 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 295 - CD2_GB1_7 CG_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 299 + CD2_GB1_7 N_GB1_35 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 295 + CD2_GB1_7 CG_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 299 CD2_GB1_7 OD1_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 300 - CD2_GB1_7 ND2_GB1_35 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 64 301 - CD2_GB1_7 C_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 302 + CD2_GB1_7 ND2_GB1_35 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 64 301 + CD2_GB1_7 C_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 302 CD2_GB1_7 O_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 303 - CD2_GB1_7 N_GB1_36 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 304 - CD2_GB1_7 CG_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 308 + CD2_GB1_7 N_GB1_36 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 304 + CD2_GB1_7 CG_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 308 CD2_GB1_7 OD1_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 64 309 CD2_GB1_7 OD2_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 64 310 - CD2_GB1_7 C_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 311 + CD2_GB1_7 C_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 311 CD2_GB1_7 O_GB1_36 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 312 - CD2_GB1_7 N_GB1_37 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 313 - CD2_GB1_7 CG_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 317 + CD2_GB1_7 N_GB1_37 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 313 + CD2_GB1_7 CG_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 317 CD2_GB1_7 OD1_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 318 - CD2_GB1_7 ND2_GB1_37 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 64 319 - CD2_GB1_7 C_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 320 + CD2_GB1_7 ND2_GB1_37 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 64 319 + CD2_GB1_7 C_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 320 CD2_GB1_7 O_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 321 - CD2_GB1_7 N_GB1_38 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 322 - CD2_GB1_7 C_GB1_38 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 325 + CD2_GB1_7 N_GB1_38 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 322 + CD2_GB1_7 C_GB1_38 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 325 CD2_GB1_7 O_GB1_38 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 326 - CD2_GB1_7 N_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 327 - CD2_GB1_7 C_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 333 + CD2_GB1_7 N_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 327 + CD2_GB1_7 C_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 333 CD2_GB1_7 O_GB1_39 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 334 - CD2_GB1_7 N_GB1_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 335 - CD2_GB1_7 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 339 + CD2_GB1_7 N_GB1_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 335 + CD2_GB1_7 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 339 CD2_GB1_7 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 64 340 CD2_GB1_7 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 64 341 - CD2_GB1_7 C_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 342 + CD2_GB1_7 C_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 342 CD2_GB1_7 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 343 - CD2_GB1_7 N_GB1_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 344 - CD2_GB1_7 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 347 + CD2_GB1_7 N_GB1_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 344 + CD2_GB1_7 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 347 CD2_GB1_7 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 348 - CD2_GB1_7 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 349 - CD2_GB1_7 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 354 + CD2_GB1_7 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 349 + CD2_GB1_7 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 354 CD2_GB1_7 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 64 355 CD2_GB1_7 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 64 356 - CD2_GB1_7 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 357 + CD2_GB1_7 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 357 CD2_GB1_7 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 358 - CD2_GB1_7 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 359 - CD2_GB1_7 NE1_GB1_43 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.0 1.0 1.0 1.0 False mg 7 64 366 - CD2_GB1_7 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 372 + CD2_GB1_7 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 359 + CD2_GB1_7 NE1_GB1_43 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.0 1.0 1.0 1.0 False mg 7 64 366 + CD2_GB1_7 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 372 CD2_GB1_7 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 373 - CD2_GB1_7 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 374 - CD2_GB1_7 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 64 378 - CD2_GB1_7 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 380 + CD2_GB1_7 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 374 + CD2_GB1_7 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 64 378 + CD2_GB1_7 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 380 CD2_GB1_7 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 381 - CD2_GB1_7 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 382 - CD2_GB1_7 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 64 392 - CD2_GB1_7 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 393 + CD2_GB1_7 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 382 + CD2_GB1_7 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 64 392 + CD2_GB1_7 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 393 CD2_GB1_7 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 394 - CD2_GB1_7 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 395 - CD2_GB1_7 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 399 + CD2_GB1_7 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 395 + CD2_GB1_7 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 399 CD2_GB1_7 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 64 400 CD2_GB1_7 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 64 401 - CD2_GB1_7 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 402 + CD2_GB1_7 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 402 CD2_GB1_7 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 403 - CD2_GB1_7 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 404 - CD2_GB1_7 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 408 + CD2_GB1_7 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 404 + CD2_GB1_7 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 408 CD2_GB1_7 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 64 409 CD2_GB1_7 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 64 410 - CD2_GB1_7 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 411 + CD2_GB1_7 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 411 CD2_GB1_7 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 412 - CD2_GB1_7 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 413 - CD2_GB1_7 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 417 + CD2_GB1_7 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 413 + CD2_GB1_7 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 417 CD2_GB1_7 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 418 - CD2_GB1_7 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 419 - CD2_GB1_7 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 64 423 - CD2_GB1_7 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 425 + CD2_GB1_7 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 419 + CD2_GB1_7 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 64 423 + CD2_GB1_7 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 425 CD2_GB1_7 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 426 - CD2_GB1_7 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 427 - CD2_GB1_7 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 434 - CD2_GB1_7 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 435 + CD2_GB1_7 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 427 + CD2_GB1_7 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 434 + CD2_GB1_7 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 435 CD2_GB1_7 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 436 - CD2_GB1_7 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 437 - CD2_GB1_7 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 64 441 - CD2_GB1_7 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 443 + CD2_GB1_7 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 437 + CD2_GB1_7 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 64 441 + CD2_GB1_7 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 443 CD2_GB1_7 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 444 - CD2_GB1_7 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 445 - CD2_GB1_7 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 455 + CD2_GB1_7 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 445 + CD2_GB1_7 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 455 CD2_GB1_7 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 456 - CD2_GB1_7 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 457 - CD2_GB1_7 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 64 461 - CD2_GB1_7 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 463 + CD2_GB1_7 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 457 + CD2_GB1_7 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 64 461 + CD2_GB1_7 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 463 CD2_GB1_7 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 464 - CD2_GB1_7 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 465 - CD2_GB1_7 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 471 + CD2_GB1_7 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 465 + CD2_GB1_7 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 471 CD2_GB1_7 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 472 - CD2_GB1_7 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 473 - CD2_GB1_7 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 64 477 - CD2_GB1_7 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 479 + CD2_GB1_7 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 473 + CD2_GB1_7 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 64 477 + CD2_GB1_7 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 479 CD2_GB1_7 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 64 480 - CD2_GB1_7 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 64 481 - CD2_GB1_7 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 486 + CD2_GB1_7 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 64 481 + CD2_GB1_7 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 486 CD2_GB1_7 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 64 487 CD2_GB1_7 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 64 488 - CD2_GB1_7 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 64 489 + CD2_GB1_7 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 64 489 CD2_GB1_7 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 64 490 CD2_GB1_7 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 64 491 - C_GB1_7 CB_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 65 70 - C_GB1_7 CA_GB1_9 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 65 78 - C_GB1_7 CB_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 65 84 - C_GB1_7 CG_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 65 85 - C_GB1_7 CD_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 65 86 - C_GB1_7 CE_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 65 87 - C_GB1_7 CB_GB1_11 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 65 94 - C_GB1_7 CG2_GB1_11 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 65 96 - C_GB1_7 CB_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 65 102 - C_GB1_7 CG_GB1_12 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 65 103 - C_GB1_7 CD1_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 65 104 - C_GB1_7 CD2_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 65 105 - C_GB1_7 CB_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 65 111 - C_GB1_7 CG_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 65 112 - C_GB1_7 CD_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 65 113 - C_GB1_7 CE_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 65 114 - C_GB1_7 CA_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 65 120 - C_GB1_7 CB_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 65 126 - C_GB1_7 CG_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 65 127 - C_GB1_7 CB_GB1_16 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 65 136 - C_GB1_7 CG2_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 65 138 - C_GB1_7 CB_GB1_17 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 65 144 - C_GB1_7 CG2_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 65 146 - C_GB1_7 CB_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 65 152 - C_GB1_7 CG2_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 65 154 - C_GB1_7 CB_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 65 160 - C_GB1_7 CG_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 65 161 - C_GB1_7 CB_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 65 170 - C_GB1_7 CB_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 65 176 - C_GB1_7 CG1_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 65 177 - C_GB1_7 CG2_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 65 178 - C_GB1_7 CB_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 65 184 - C_GB1_7 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 65 193 - C_GB1_7 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 65 199 - C_GB1_7 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 65 205 - C_GB1_7 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 65 207 - C_GB1_7 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 65 213 - C_GB1_7 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 65 219 - C_GB1_7 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 65 220 - C_GB1_7 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 65 229 - C_GB1_7 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 65 230 - C_GB1_7 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 65 231 - C_GB1_7 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 65 232 - C_GB1_7 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 65 239 - C_GB1_7 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 65 240 - C_GB1_7 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 65 241 - C_GB1_7 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 65 247 - C_GB1_7 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 65 259 - C_GB1_7 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 65 260 - C_GB1_7 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 65 261 - C_GB1_7 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 65 262 - C_GB1_7 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 65 269 - C_GB1_7 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 65 270 - C_GB1_7 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 65 279 - C_GB1_7 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 65 292 - C_GB1_7 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 65 298 - C_GB1_7 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 65 307 - C_GB1_7 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 65 316 - C_GB1_7 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 65 324 - C_GB1_7 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 65 330 - C_GB1_7 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 65 331 - C_GB1_7 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 65 332 - C_GB1_7 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 65 338 - C_GB1_7 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 65 346 - C_GB1_7 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 65 352 - C_GB1_7 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 65 353 - C_GB1_7 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 65 362 - C_GB1_7 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 65 377 - C_GB1_7 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 65 379 - C_GB1_7 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 65 385 - C_GB1_7 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 65 398 - C_GB1_7 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 65 407 - C_GB1_7 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 65 416 - C_GB1_7 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 65 422 - C_GB1_7 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 65 424 - C_GB1_7 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 65 430 - C_GB1_7 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 65 431 - C_GB1_7 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 65 432 - C_GB1_7 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 65 433 - C_GB1_7 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 65 440 - C_GB1_7 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 65 442 - C_GB1_7 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 65 448 - C_GB1_7 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 65 460 - C_GB1_7 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 65 462 - C_GB1_7 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 65 468 - C_GB1_7 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 65 469 - C_GB1_7 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 65 470 - C_GB1_7 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 65 476 - C_GB1_7 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 65 478 - C_GB1_7 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 65 484 - C_GB1_7 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 65 485 + C_GB1_7 CB_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 65 70 + C_GB1_7 CA_GB1_9 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 65 78 + C_GB1_7 CB_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 65 84 + C_GB1_7 CG_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 65 85 + C_GB1_7 CD_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 65 86 + C_GB1_7 CE_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 65 87 + C_GB1_7 CB_GB1_11 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 65 94 + C_GB1_7 CG2_GB1_11 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 65 96 + C_GB1_7 CB_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 65 102 + C_GB1_7 CG_GB1_12 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 65 103 + C_GB1_7 CD1_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 65 104 + C_GB1_7 CD2_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 65 105 + C_GB1_7 CB_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 65 111 + C_GB1_7 CG_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 65 112 + C_GB1_7 CD_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 65 113 + C_GB1_7 CE_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 65 114 + C_GB1_7 CA_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 65 120 + C_GB1_7 CB_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 65 126 + C_GB1_7 CG_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 65 127 + C_GB1_7 CB_GB1_16 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 65 136 + C_GB1_7 CG2_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 65 138 + C_GB1_7 CB_GB1_17 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 65 144 + C_GB1_7 CG2_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 65 146 + C_GB1_7 CB_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 65 152 + C_GB1_7 CG2_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 65 154 + C_GB1_7 CB_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 65 160 + C_GB1_7 CG_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 65 161 + C_GB1_7 CB_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 65 170 + C_GB1_7 CB_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 65 176 + C_GB1_7 CG1_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 65 177 + C_GB1_7 CG2_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 65 178 + C_GB1_7 CB_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 65 184 + C_GB1_7 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 65 193 + C_GB1_7 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 65 199 + C_GB1_7 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 65 205 + C_GB1_7 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 65 207 + C_GB1_7 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 65 213 + C_GB1_7 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 65 219 + C_GB1_7 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 65 220 + C_GB1_7 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 65 229 + C_GB1_7 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 65 230 + C_GB1_7 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 65 231 + C_GB1_7 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 65 232 + C_GB1_7 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 65 239 + C_GB1_7 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 65 240 + C_GB1_7 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 65 241 + C_GB1_7 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 65 247 + C_GB1_7 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 65 259 + C_GB1_7 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 65 260 + C_GB1_7 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 65 261 + C_GB1_7 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 65 262 + C_GB1_7 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 65 269 + C_GB1_7 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 65 270 + C_GB1_7 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 65 279 + C_GB1_7 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 65 292 + C_GB1_7 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 65 298 + C_GB1_7 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 65 307 + C_GB1_7 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 65 316 + C_GB1_7 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 65 324 + C_GB1_7 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 65 330 + C_GB1_7 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 65 331 + C_GB1_7 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 65 332 + C_GB1_7 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 65 338 + C_GB1_7 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 65 346 + C_GB1_7 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 65 352 + C_GB1_7 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 65 353 + C_GB1_7 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 65 362 + C_GB1_7 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 65 377 + C_GB1_7 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 65 379 + C_GB1_7 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 65 385 + C_GB1_7 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 65 398 + C_GB1_7 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 65 407 + C_GB1_7 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 65 416 + C_GB1_7 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 65 422 + C_GB1_7 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 65 424 + C_GB1_7 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 65 430 + C_GB1_7 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 65 431 + C_GB1_7 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 65 432 + C_GB1_7 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 65 433 + C_GB1_7 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 65 440 + C_GB1_7 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 65 442 + C_GB1_7 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 65 448 + C_GB1_7 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 65 460 + C_GB1_7 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 65 462 + C_GB1_7 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 65 468 + C_GB1_7 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 65 469 + C_GB1_7 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 65 470 + C_GB1_7 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 65 476 + C_GB1_7 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 65 478 + C_GB1_7 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 65 484 + C_GB1_7 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 65 485 O_GB1_7 O_GB1_7 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 66 66 O_GB1_7 H_GB1_8 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 66 68 O_GB1_7 CB_GB1_8 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 66 70 @@ -9786,97 +9786,97 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573658e-04 5.159165e-08 O_GB1_7 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 66 488 O_GB1_7 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 66 490 O_GB1_7 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 66 491 - N_GB1_8 CB_GB1_8 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 67 70 - N_GB1_8 CA_GB1_9 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 67 78 - N_GB1_8 CB_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 67 84 - N_GB1_8 CG_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 67 85 - N_GB1_8 CD_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 67 86 - N_GB1_8 CE_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 67 87 - N_GB1_8 CB_GB1_11 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 67 94 - N_GB1_8 CG2_GB1_11 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 67 96 - N_GB1_8 CB_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 67 102 - N_GB1_8 CG_GB1_12 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 67 103 - N_GB1_8 CD1_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 67 104 - N_GB1_8 CD2_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 67 105 - N_GB1_8 CB_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 67 111 - N_GB1_8 CG_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 67 112 - N_GB1_8 CD_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 67 113 - N_GB1_8 CE_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 67 114 - N_GB1_8 CA_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 67 120 - N_GB1_8 CB_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 67 126 - N_GB1_8 CG_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 67 127 - N_GB1_8 CB_GB1_16 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 67 136 - N_GB1_8 CG2_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 67 138 - N_GB1_8 CB_GB1_17 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 67 144 - N_GB1_8 CG2_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 67 146 - N_GB1_8 CB_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 67 152 - N_GB1_8 CG2_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 67 154 - N_GB1_8 CB_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 67 160 - N_GB1_8 CG_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 67 161 - N_GB1_8 CB_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 67 170 - N_GB1_8 CB_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 67 176 - N_GB1_8 CG1_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 67 177 - N_GB1_8 CG2_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 67 178 - N_GB1_8 CB_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 67 184 - N_GB1_8 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 67 193 - N_GB1_8 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 67 199 - N_GB1_8 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 67 205 - N_GB1_8 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 67 207 - N_GB1_8 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 67 213 - N_GB1_8 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 67 219 - N_GB1_8 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 67 220 - N_GB1_8 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 67 229 - N_GB1_8 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 67 230 - N_GB1_8 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 67 231 - N_GB1_8 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 67 232 - N_GB1_8 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 67 239 - N_GB1_8 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 67 240 - N_GB1_8 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 67 241 - N_GB1_8 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 67 247 - N_GB1_8 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 67 259 - N_GB1_8 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 67 260 - N_GB1_8 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 67 261 - N_GB1_8 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 67 262 - N_GB1_8 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 67 269 - N_GB1_8 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 67 270 - N_GB1_8 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 67 279 - N_GB1_8 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 67 292 - N_GB1_8 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 67 298 - N_GB1_8 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 67 307 - N_GB1_8 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 67 316 - N_GB1_8 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 67 324 - N_GB1_8 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 67 330 - N_GB1_8 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 67 331 - N_GB1_8 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 67 332 - N_GB1_8 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 67 338 - N_GB1_8 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 67 346 - N_GB1_8 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 67 352 - N_GB1_8 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 67 353 - N_GB1_8 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 67 362 - N_GB1_8 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 67 377 - N_GB1_8 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 67 379 - N_GB1_8 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 67 385 - N_GB1_8 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 67 398 - N_GB1_8 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 67 407 - N_GB1_8 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 67 416 - N_GB1_8 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 67 422 - N_GB1_8 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 67 424 - N_GB1_8 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 67 430 - N_GB1_8 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 67 431 - N_GB1_8 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 67 432 - N_GB1_8 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 67 433 - N_GB1_8 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 67 440 - N_GB1_8 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 67 442 - N_GB1_8 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 67 448 - N_GB1_8 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 67 460 - N_GB1_8 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 67 462 - N_GB1_8 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 67 468 - N_GB1_8 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 67 469 - N_GB1_8 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 67 470 - N_GB1_8 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 67 476 - N_GB1_8 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 67 478 - N_GB1_8 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 67 484 - N_GB1_8 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 67 485 + N_GB1_8 CB_GB1_8 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 67 70 + N_GB1_8 CA_GB1_9 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 67 78 + N_GB1_8 CB_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 67 84 + N_GB1_8 CG_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 67 85 + N_GB1_8 CD_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 67 86 + N_GB1_8 CE_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 67 87 + N_GB1_8 CB_GB1_11 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 67 94 + N_GB1_8 CG2_GB1_11 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 67 96 + N_GB1_8 CB_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 67 102 + N_GB1_8 CG_GB1_12 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 67 103 + N_GB1_8 CD1_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 67 104 + N_GB1_8 CD2_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 67 105 + N_GB1_8 CB_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 67 111 + N_GB1_8 CG_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 67 112 + N_GB1_8 CD_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 67 113 + N_GB1_8 CE_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 67 114 + N_GB1_8 CA_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 67 120 + N_GB1_8 CB_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 67 126 + N_GB1_8 CG_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 67 127 + N_GB1_8 CB_GB1_16 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 67 136 + N_GB1_8 CG2_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 67 138 + N_GB1_8 CB_GB1_17 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 67 144 + N_GB1_8 CG2_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 67 146 + N_GB1_8 CB_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 67 152 + N_GB1_8 CG2_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 67 154 + N_GB1_8 CB_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 67 160 + N_GB1_8 CG_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 67 161 + N_GB1_8 CB_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 67 170 + N_GB1_8 CB_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 67 176 + N_GB1_8 CG1_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 67 177 + N_GB1_8 CG2_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 67 178 + N_GB1_8 CB_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 67 184 + N_GB1_8 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 67 193 + N_GB1_8 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 67 199 + N_GB1_8 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 67 205 + N_GB1_8 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 67 207 + N_GB1_8 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 67 213 + N_GB1_8 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 67 219 + N_GB1_8 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 67 220 + N_GB1_8 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 67 229 + N_GB1_8 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 67 230 + N_GB1_8 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 67 231 + N_GB1_8 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 67 232 + N_GB1_8 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 67 239 + N_GB1_8 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 67 240 + N_GB1_8 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 67 241 + N_GB1_8 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 67 247 + N_GB1_8 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 67 259 + N_GB1_8 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 67 260 + N_GB1_8 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 67 261 + N_GB1_8 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 67 262 + N_GB1_8 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 67 269 + N_GB1_8 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 67 270 + N_GB1_8 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 67 279 + N_GB1_8 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 67 292 + N_GB1_8 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 67 298 + N_GB1_8 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 67 307 + N_GB1_8 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 67 316 + N_GB1_8 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 67 324 + N_GB1_8 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 67 330 + N_GB1_8 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 67 331 + N_GB1_8 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 67 332 + N_GB1_8 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 67 338 + N_GB1_8 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 67 346 + N_GB1_8 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 67 352 + N_GB1_8 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 67 353 + N_GB1_8 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 67 362 + N_GB1_8 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 67 377 + N_GB1_8 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 67 379 + N_GB1_8 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 67 385 + N_GB1_8 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 67 398 + N_GB1_8 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 67 407 + N_GB1_8 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 67 416 + N_GB1_8 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 67 422 + N_GB1_8 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 67 424 + N_GB1_8 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 67 430 + N_GB1_8 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 67 431 + N_GB1_8 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 67 432 + N_GB1_8 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 67 433 + N_GB1_8 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 67 440 + N_GB1_8 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 67 442 + N_GB1_8 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 67 448 + N_GB1_8 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 67 460 + N_GB1_8 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 67 462 + N_GB1_8 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 67 468 + N_GB1_8 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 67 469 + N_GB1_8 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 67 470 + N_GB1_8 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 67 476 + N_GB1_8 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 67 478 + N_GB1_8 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 67 484 + N_GB1_8 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 67 485 H_GB1_8 H_GB1_8 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 68 68 H_GB1_8 OD1_GB1_8 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 68 72 H_GB1_8 O_GB1_8 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 68 75 @@ -10012,303 +10012,303 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573658e-04 5.159165e-08 H_GB1_8 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 68 488 H_GB1_8 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 68 490 H_GB1_8 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 68 491 - CB_GB1_8 CG_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 71 + CB_GB1_8 CG_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 71 CB_GB1_8 OD1_GB1_8 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 72 - CB_GB1_8 ND2_GB1_8 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 70 73 - CB_GB1_8 C_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 74 + CB_GB1_8 ND2_GB1_8 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 70 73 + CB_GB1_8 C_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 74 CB_GB1_8 O_GB1_8 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 75 - CB_GB1_8 N_GB1_9 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 76 - CB_GB1_8 C_GB1_9 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 79 + CB_GB1_8 N_GB1_9 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 76 + CB_GB1_8 C_GB1_9 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 79 CB_GB1_8 O_GB1_9 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 80 - CB_GB1_8 N_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 81 - CB_GB1_8 NZ_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 88 - CB_GB1_8 C_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 89 + CB_GB1_8 N_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 81 + CB_GB1_8 NZ_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 88 + CB_GB1_8 C_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 89 CB_GB1_8 O_GB1_10 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 90 - CB_GB1_8 N_GB1_11 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 91 - CB_GB1_8 OG1_GB1_11 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 70 95 - CB_GB1_8 C_GB1_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 97 + CB_GB1_8 N_GB1_11 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 91 + CB_GB1_8 OG1_GB1_11 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 70 95 + CB_GB1_8 C_GB1_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 97 CB_GB1_8 O_GB1_11 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 98 - CB_GB1_8 N_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 99 - CB_GB1_8 C_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 106 + CB_GB1_8 N_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 99 + CB_GB1_8 C_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 106 CB_GB1_8 O_GB1_12 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 107 - CB_GB1_8 N_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 108 - CB_GB1_8 NZ_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 115 - CB_GB1_8 C_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 116 + CB_GB1_8 N_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 108 + CB_GB1_8 NZ_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 115 + CB_GB1_8 C_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 116 CB_GB1_8 O_GB1_13 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 117 - CB_GB1_8 N_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 118 - CB_GB1_8 C_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 121 + CB_GB1_8 N_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 118 + CB_GB1_8 C_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 121 CB_GB1_8 O_GB1_14 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 122 - CB_GB1_8 N_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 123 - CB_GB1_8 CD_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 128 - CB_GB1_8 OE1_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 70 129 - CB_GB1_8 OE2_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 70 130 - CB_GB1_8 C_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 131 + CB_GB1_8 N_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 123 + CB_GB1_8 CD_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 128 + CB_GB1_8 OE1_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 70 129 + CB_GB1_8 OE2_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 70 130 + CB_GB1_8 C_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 131 CB_GB1_8 O_GB1_15 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 132 - CB_GB1_8 N_GB1_16 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 133 - CB_GB1_8 OG1_GB1_16 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 70 137 - CB_GB1_8 C_GB1_16 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 139 + CB_GB1_8 N_GB1_16 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 133 + CB_GB1_8 OG1_GB1_16 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 70 137 + CB_GB1_8 C_GB1_16 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 139 CB_GB1_8 O_GB1_16 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 140 - CB_GB1_8 N_GB1_17 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 141 - CB_GB1_8 OG1_GB1_17 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 70 145 - CB_GB1_8 C_GB1_17 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 147 + CB_GB1_8 N_GB1_17 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 141 + CB_GB1_8 OG1_GB1_17 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 70 145 + CB_GB1_8 C_GB1_17 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 147 CB_GB1_8 O_GB1_17 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 148 - CB_GB1_8 N_GB1_18 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 149 - CB_GB1_8 OG1_GB1_18 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 70 153 - CB_GB1_8 C_GB1_18 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 155 + CB_GB1_8 N_GB1_18 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 149 + CB_GB1_8 OG1_GB1_18 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 70 153 + CB_GB1_8 C_GB1_18 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 155 CB_GB1_8 O_GB1_18 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 156 - CB_GB1_8 N_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 157 - CB_GB1_8 CD_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 162 - CB_GB1_8 OE1_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 70 163 - CB_GB1_8 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 70 164 - CB_GB1_8 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 165 + CB_GB1_8 N_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 157 + CB_GB1_8 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 162 + CB_GB1_8 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 70 163 + CB_GB1_8 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 70 164 + CB_GB1_8 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 165 CB_GB1_8 O_GB1_19 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 166 - CB_GB1_8 N_GB1_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 167 - CB_GB1_8 C_GB1_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 171 + CB_GB1_8 N_GB1_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 167 + CB_GB1_8 C_GB1_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 171 CB_GB1_8 O_GB1_20 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 172 - CB_GB1_8 N_GB1_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 173 - CB_GB1_8 C_GB1_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 179 + CB_GB1_8 N_GB1_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 173 + CB_GB1_8 C_GB1_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 179 CB_GB1_8 O_GB1_21 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 180 - CB_GB1_8 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 181 - CB_GB1_8 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 185 - CB_GB1_8 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 70 186 - CB_GB1_8 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 70 187 - CB_GB1_8 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 188 + CB_GB1_8 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 181 + CB_GB1_8 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 185 + CB_GB1_8 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 70 186 + CB_GB1_8 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 70 187 + CB_GB1_8 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 188 CB_GB1_8 O_GB1_22 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 189 - CB_GB1_8 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 190 - CB_GB1_8 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 194 + CB_GB1_8 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 190 + CB_GB1_8 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 194 CB_GB1_8 O_GB1_23 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 195 - CB_GB1_8 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 196 - CB_GB1_8 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 200 + CB_GB1_8 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 196 + CB_GB1_8 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 200 CB_GB1_8 O_GB1_24 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 201 - CB_GB1_8 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 202 - CB_GB1_8 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 70 206 - CB_GB1_8 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 208 + CB_GB1_8 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 202 + CB_GB1_8 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 70 206 + CB_GB1_8 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 208 CB_GB1_8 O_GB1_25 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 209 - CB_GB1_8 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 210 - CB_GB1_8 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 214 + CB_GB1_8 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 210 + CB_GB1_8 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 214 CB_GB1_8 O_GB1_26 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 215 - CB_GB1_8 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 216 - CB_GB1_8 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 221 - CB_GB1_8 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 70 222 - CB_GB1_8 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 70 223 - CB_GB1_8 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 224 + CB_GB1_8 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 216 + CB_GB1_8 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 221 + CB_GB1_8 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 70 222 + CB_GB1_8 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 70 223 + CB_GB1_8 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 224 CB_GB1_8 O_GB1_27 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 225 - CB_GB1_8 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 226 - CB_GB1_8 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 233 - CB_GB1_8 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 234 + CB_GB1_8 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 226 + CB_GB1_8 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 233 + CB_GB1_8 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 234 CB_GB1_8 O_GB1_28 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 235 - CB_GB1_8 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 236 - CB_GB1_8 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 242 + CB_GB1_8 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 236 + CB_GB1_8 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 242 CB_GB1_8 O_GB1_29 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 243 - CB_GB1_8 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 244 - CB_GB1_8 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 254 + CB_GB1_8 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 244 + CB_GB1_8 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 254 CB_GB1_8 O_GB1_30 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 255 - CB_GB1_8 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 256 - CB_GB1_8 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 263 - CB_GB1_8 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 264 + CB_GB1_8 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 256 + CB_GB1_8 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 263 + CB_GB1_8 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 264 CB_GB1_8 O_GB1_31 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 265 - CB_GB1_8 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 266 - CB_GB1_8 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 271 + CB_GB1_8 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 266 + CB_GB1_8 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 271 CB_GB1_8 OE1_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 272 - CB_GB1_8 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 70 273 - CB_GB1_8 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 274 + CB_GB1_8 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 70 273 + CB_GB1_8 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 274 CB_GB1_8 O_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 275 - CB_GB1_8 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 276 - CB_GB1_8 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 70 286 - CB_GB1_8 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 287 + CB_GB1_8 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 276 + CB_GB1_8 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 70 286 + CB_GB1_8 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 287 CB_GB1_8 O_GB1_33 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 288 - CB_GB1_8 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 289 - CB_GB1_8 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 293 + CB_GB1_8 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 289 + CB_GB1_8 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 293 CB_GB1_8 O_GB1_34 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 294 - CB_GB1_8 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 295 - CB_GB1_8 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 299 + CB_GB1_8 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 295 + CB_GB1_8 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 299 CB_GB1_8 OD1_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 300 - CB_GB1_8 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 70 301 - CB_GB1_8 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 302 + CB_GB1_8 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 70 301 + CB_GB1_8 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 302 CB_GB1_8 O_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 303 - CB_GB1_8 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 304 - CB_GB1_8 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 308 - CB_GB1_8 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 70 309 - CB_GB1_8 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 70 310 - CB_GB1_8 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 311 + CB_GB1_8 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 304 + CB_GB1_8 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 308 + CB_GB1_8 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 70 309 + CB_GB1_8 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 70 310 + CB_GB1_8 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 311 CB_GB1_8 O_GB1_36 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 312 - CB_GB1_8 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 313 - CB_GB1_8 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 317 + CB_GB1_8 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 313 + CB_GB1_8 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 317 CB_GB1_8 OD1_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 318 - CB_GB1_8 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 70 319 - CB_GB1_8 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 320 + CB_GB1_8 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 70 319 + CB_GB1_8 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 320 CB_GB1_8 O_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 321 - CB_GB1_8 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 322 - CB_GB1_8 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 325 + CB_GB1_8 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 322 + CB_GB1_8 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 325 CB_GB1_8 O_GB1_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 326 - CB_GB1_8 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 327 - CB_GB1_8 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 333 + CB_GB1_8 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 327 + CB_GB1_8 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 333 CB_GB1_8 O_GB1_39 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 334 - CB_GB1_8 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 335 - CB_GB1_8 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 339 - CB_GB1_8 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 70 340 - CB_GB1_8 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 70 341 - CB_GB1_8 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 342 + CB_GB1_8 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 335 + CB_GB1_8 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 339 + CB_GB1_8 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 70 340 + CB_GB1_8 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 70 341 + CB_GB1_8 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 342 CB_GB1_8 O_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 343 - CB_GB1_8 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 344 - CB_GB1_8 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 347 + CB_GB1_8 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 344 + CB_GB1_8 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 347 CB_GB1_8 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 348 - CB_GB1_8 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 349 - CB_GB1_8 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 354 - CB_GB1_8 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 70 355 - CB_GB1_8 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 70 356 - CB_GB1_8 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 357 + CB_GB1_8 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 349 + CB_GB1_8 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 354 + CB_GB1_8 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 70 355 + CB_GB1_8 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 70 356 + CB_GB1_8 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 357 CB_GB1_8 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 358 - CB_GB1_8 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 359 - CB_GB1_8 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 70 366 - CB_GB1_8 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 372 + CB_GB1_8 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 359 + CB_GB1_8 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 70 366 + CB_GB1_8 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 372 CB_GB1_8 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 373 - CB_GB1_8 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 374 - CB_GB1_8 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 70 378 - CB_GB1_8 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 380 + CB_GB1_8 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 374 + CB_GB1_8 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 70 378 + CB_GB1_8 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 380 CB_GB1_8 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 381 - CB_GB1_8 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 382 - CB_GB1_8 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 70 392 - CB_GB1_8 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 393 + CB_GB1_8 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 382 + CB_GB1_8 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 70 392 + CB_GB1_8 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 393 CB_GB1_8 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 394 - CB_GB1_8 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 395 - CB_GB1_8 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 399 - CB_GB1_8 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 70 400 - CB_GB1_8 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 70 401 - CB_GB1_8 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 402 + CB_GB1_8 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 395 + CB_GB1_8 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 399 + CB_GB1_8 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 70 400 + CB_GB1_8 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 70 401 + CB_GB1_8 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 402 CB_GB1_8 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 403 - CB_GB1_8 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 404 - CB_GB1_8 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 408 - CB_GB1_8 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 70 409 - CB_GB1_8 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 70 410 - CB_GB1_8 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 411 + CB_GB1_8 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 404 + CB_GB1_8 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 408 + CB_GB1_8 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 70 409 + CB_GB1_8 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 70 410 + CB_GB1_8 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 411 CB_GB1_8 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 412 - CB_GB1_8 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 413 - CB_GB1_8 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 417 + CB_GB1_8 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 413 + CB_GB1_8 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 417 CB_GB1_8 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 418 - CB_GB1_8 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 419 - CB_GB1_8 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 70 423 - CB_GB1_8 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 425 + CB_GB1_8 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 419 + CB_GB1_8 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 70 423 + CB_GB1_8 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 425 CB_GB1_8 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 426 - CB_GB1_8 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 427 - CB_GB1_8 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 434 - CB_GB1_8 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 435 + CB_GB1_8 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 427 + CB_GB1_8 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 434 + CB_GB1_8 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 435 CB_GB1_8 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 436 - CB_GB1_8 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 437 - CB_GB1_8 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 70 441 - CB_GB1_8 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 443 + CB_GB1_8 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 437 + CB_GB1_8 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 70 441 + CB_GB1_8 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 443 CB_GB1_8 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 444 - CB_GB1_8 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 445 - CB_GB1_8 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 455 + CB_GB1_8 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 445 + CB_GB1_8 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 455 CB_GB1_8 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 456 - CB_GB1_8 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 457 - CB_GB1_8 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 70 461 - CB_GB1_8 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 463 + CB_GB1_8 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 457 + CB_GB1_8 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 70 461 + CB_GB1_8 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 463 CB_GB1_8 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 464 - CB_GB1_8 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 465 - CB_GB1_8 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 471 + CB_GB1_8 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 465 + CB_GB1_8 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 471 CB_GB1_8 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 472 - CB_GB1_8 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 473 - CB_GB1_8 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 70 477 - CB_GB1_8 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 479 + CB_GB1_8 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 473 + CB_GB1_8 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 70 477 + CB_GB1_8 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 479 CB_GB1_8 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 70 480 - CB_GB1_8 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 70 481 - CB_GB1_8 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 486 - CB_GB1_8 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 70 487 - CB_GB1_8 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 70 488 - CB_GB1_8 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 70 489 - CB_GB1_8 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 70 490 - CB_GB1_8 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 70 491 - CG_GB1_8 CA_GB1_9 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 71 78 - CG_GB1_8 CB_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 71 84 - CG_GB1_8 CG_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 71 85 - CG_GB1_8 CD_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 71 86 - CG_GB1_8 CE_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 71 87 - CG_GB1_8 CB_GB1_11 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 71 94 - CG_GB1_8 CG2_GB1_11 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 71 96 - CG_GB1_8 CB_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 71 102 - CG_GB1_8 CG_GB1_12 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 71 103 - CG_GB1_8 CD1_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 71 104 - CG_GB1_8 CD2_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 71 105 - CG_GB1_8 CB_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 71 111 - CG_GB1_8 CG_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 71 112 - CG_GB1_8 CD_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 71 113 - CG_GB1_8 CE_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 71 114 - CG_GB1_8 CA_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 71 120 - CG_GB1_8 CB_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 71 126 - CG_GB1_8 CG_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 71 127 - CG_GB1_8 CB_GB1_16 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 71 136 - CG_GB1_8 CG2_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 71 138 - CG_GB1_8 CB_GB1_17 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 71 144 - CG_GB1_8 CG2_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 71 146 - CG_GB1_8 CB_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 71 152 - CG_GB1_8 CG2_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 71 154 - CG_GB1_8 CB_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 71 160 - CG_GB1_8 CG_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 71 161 - CG_GB1_8 CB_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 71 170 - CG_GB1_8 CB_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 71 176 - CG_GB1_8 CG1_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 71 177 - CG_GB1_8 CG2_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 71 178 - CG_GB1_8 CB_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 71 184 - CG_GB1_8 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 71 193 - CG_GB1_8 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 71 199 - CG_GB1_8 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 71 205 - CG_GB1_8 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 71 207 - CG_GB1_8 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 71 213 - CG_GB1_8 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 71 219 - CG_GB1_8 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 71 220 - CG_GB1_8 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 71 229 - CG_GB1_8 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 71 230 - CG_GB1_8 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 71 231 - CG_GB1_8 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 71 232 - CG_GB1_8 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 71 239 - CG_GB1_8 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 71 240 - CG_GB1_8 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 71 241 - CG_GB1_8 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 71 247 - CG_GB1_8 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 71 259 - CG_GB1_8 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 71 260 - CG_GB1_8 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 71 261 - CG_GB1_8 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 71 262 - CG_GB1_8 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 71 269 - CG_GB1_8 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 71 270 - CG_GB1_8 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 71 279 - CG_GB1_8 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 71 292 - CG_GB1_8 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 71 298 - CG_GB1_8 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 71 307 - CG_GB1_8 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 71 316 - CG_GB1_8 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 71 324 - CG_GB1_8 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 71 330 - CG_GB1_8 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 71 331 - CG_GB1_8 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 71 332 - CG_GB1_8 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 71 338 - CG_GB1_8 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 71 346 - CG_GB1_8 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 71 352 - CG_GB1_8 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 71 353 - CG_GB1_8 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 71 362 - CG_GB1_8 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 71 377 - CG_GB1_8 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 71 379 - CG_GB1_8 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 71 385 - CG_GB1_8 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 71 398 - CG_GB1_8 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 71 407 - CG_GB1_8 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 71 416 - CG_GB1_8 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 71 422 - CG_GB1_8 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 71 424 - CG_GB1_8 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 71 430 - CG_GB1_8 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 71 431 - CG_GB1_8 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 71 432 - CG_GB1_8 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 71 433 - CG_GB1_8 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 71 440 - CG_GB1_8 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 71 442 - CG_GB1_8 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 71 448 - CG_GB1_8 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 71 460 - CG_GB1_8 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 71 462 - CG_GB1_8 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 71 468 - CG_GB1_8 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 71 469 - CG_GB1_8 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 71 470 - CG_GB1_8 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 71 476 - CG_GB1_8 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 71 478 - CG_GB1_8 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 71 484 - CG_GB1_8 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 71 485 + CB_GB1_8 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 70 481 + CB_GB1_8 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 486 + CB_GB1_8 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 70 487 + CB_GB1_8 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 70 488 + CB_GB1_8 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 70 489 + CB_GB1_8 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 70 490 + CB_GB1_8 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 70 491 + CG_GB1_8 CA_GB1_9 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 71 78 + CG_GB1_8 CB_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 71 84 + CG_GB1_8 CG_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 71 85 + CG_GB1_8 CD_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 71 86 + CG_GB1_8 CE_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 71 87 + CG_GB1_8 CB_GB1_11 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 71 94 + CG_GB1_8 CG2_GB1_11 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 71 96 + CG_GB1_8 CB_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 71 102 + CG_GB1_8 CG_GB1_12 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 71 103 + CG_GB1_8 CD1_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 71 104 + CG_GB1_8 CD2_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 71 105 + CG_GB1_8 CB_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 71 111 + CG_GB1_8 CG_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 71 112 + CG_GB1_8 CD_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 71 113 + CG_GB1_8 CE_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 71 114 + CG_GB1_8 CA_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 71 120 + CG_GB1_8 CB_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 71 126 + CG_GB1_8 CG_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 71 127 + CG_GB1_8 CB_GB1_16 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 71 136 + CG_GB1_8 CG2_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 71 138 + CG_GB1_8 CB_GB1_17 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 71 144 + CG_GB1_8 CG2_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 71 146 + CG_GB1_8 CB_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 71 152 + CG_GB1_8 CG2_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 71 154 + CG_GB1_8 CB_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 71 160 + CG_GB1_8 CG_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 71 161 + CG_GB1_8 CB_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 71 170 + CG_GB1_8 CB_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 71 176 + CG_GB1_8 CG1_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 71 177 + CG_GB1_8 CG2_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 71 178 + CG_GB1_8 CB_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 71 184 + CG_GB1_8 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 71 193 + CG_GB1_8 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 71 199 + CG_GB1_8 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 71 205 + CG_GB1_8 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 71 207 + CG_GB1_8 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 71 213 + CG_GB1_8 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 71 219 + CG_GB1_8 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 71 220 + CG_GB1_8 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 71 229 + CG_GB1_8 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 71 230 + CG_GB1_8 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 71 231 + CG_GB1_8 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 71 232 + CG_GB1_8 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 71 239 + CG_GB1_8 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 71 240 + CG_GB1_8 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 71 241 + CG_GB1_8 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 71 247 + CG_GB1_8 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 71 259 + CG_GB1_8 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 71 260 + CG_GB1_8 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 71 261 + CG_GB1_8 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 71 262 + CG_GB1_8 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 71 269 + CG_GB1_8 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 71 270 + CG_GB1_8 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 71 279 + CG_GB1_8 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 71 292 + CG_GB1_8 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 71 298 + CG_GB1_8 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 71 307 + CG_GB1_8 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 71 316 + CG_GB1_8 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 71 324 + CG_GB1_8 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 71 330 + CG_GB1_8 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 71 331 + CG_GB1_8 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 71 332 + CG_GB1_8 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 71 338 + CG_GB1_8 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 71 346 + CG_GB1_8 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 71 352 + CG_GB1_8 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 71 353 + CG_GB1_8 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 71 362 + CG_GB1_8 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 71 377 + CG_GB1_8 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 71 379 + CG_GB1_8 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 71 385 + CG_GB1_8 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 71 398 + CG_GB1_8 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 71 407 + CG_GB1_8 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 71 416 + CG_GB1_8 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 71 422 + CG_GB1_8 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 71 424 + CG_GB1_8 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 71 430 + CG_GB1_8 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 71 431 + CG_GB1_8 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 71 432 + CG_GB1_8 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 71 433 + CG_GB1_8 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 71 440 + CG_GB1_8 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 71 442 + CG_GB1_8 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 71 448 + CG_GB1_8 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 71 460 + CG_GB1_8 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 71 462 + CG_GB1_8 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 71 468 + CG_GB1_8 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 71 469 + CG_GB1_8 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 71 470 + CG_GB1_8 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 71 476 + CG_GB1_8 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 71 478 + CG_GB1_8 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 71 484 + CG_GB1_8 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 71 485 OD1_GB1_8 OD1_GB1_8 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 72 72 OD1_GB1_8 O_GB1_8 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 72 75 OD1_GB1_8 H_GB1_9 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 72 77 @@ -10521,186 +10521,186 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573658e-04 5.159165e-08 OD1_GB1_8 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 72 488 OD1_GB1_8 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 72 490 OD1_GB1_8 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 72 491 - ND2_GB1_8 CA_GB1_9 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 73 78 - ND2_GB1_8 CB_GB1_10 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 73 84 - ND2_GB1_8 CG_GB1_10 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 73 85 - ND2_GB1_8 CD_GB1_10 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 73 86 - ND2_GB1_8 CE_GB1_10 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 73 87 - ND2_GB1_8 CB_GB1_11 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 73 94 - ND2_GB1_8 CG2_GB1_11 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 73 96 - ND2_GB1_8 CB_GB1_12 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 73 102 - ND2_GB1_8 CG_GB1_12 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 73 103 - ND2_GB1_8 CD1_GB1_12 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 73 104 - ND2_GB1_8 CD2_GB1_12 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 73 105 - ND2_GB1_8 CB_GB1_13 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 73 111 - ND2_GB1_8 CG_GB1_13 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 73 112 - ND2_GB1_8 CD_GB1_13 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 73 113 - ND2_GB1_8 CE_GB1_13 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 73 114 - ND2_GB1_8 CA_GB1_14 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 73 120 - ND2_GB1_8 CB_GB1_15 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 73 126 - ND2_GB1_8 CG_GB1_15 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 73 127 - ND2_GB1_8 CB_GB1_16 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 73 136 - ND2_GB1_8 CG2_GB1_16 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 73 138 - ND2_GB1_8 CB_GB1_17 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 73 144 - ND2_GB1_8 CG2_GB1_17 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 73 146 - ND2_GB1_8 CB_GB1_18 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 73 152 - ND2_GB1_8 CG2_GB1_18 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 73 154 - ND2_GB1_8 CB_GB1_19 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 73 160 - ND2_GB1_8 CG_GB1_19 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 73 161 - ND2_GB1_8 CB_GB1_20 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 73 170 - ND2_GB1_8 CB_GB1_21 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 73 176 - ND2_GB1_8 CG1_GB1_21 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 73 177 - ND2_GB1_8 CG2_GB1_21 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 73 178 - ND2_GB1_8 CB_GB1_22 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 73 184 - ND2_GB1_8 CB_GB1_23 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 73 193 - ND2_GB1_8 CB_GB1_24 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 73 199 - ND2_GB1_8 CB_GB1_25 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 73 205 - ND2_GB1_8 CG2_GB1_25 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 73 207 - ND2_GB1_8 CB_GB1_26 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 73 213 - ND2_GB1_8 CB_GB1_27 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 73 219 - ND2_GB1_8 CG_GB1_27 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 73 220 - ND2_GB1_8 CB_GB1_28 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 73 229 - ND2_GB1_8 CG_GB1_28 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 73 230 - ND2_GB1_8 CD_GB1_28 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 73 231 - ND2_GB1_8 CE_GB1_28 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 73 232 - ND2_GB1_8 CB_GB1_29 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 73 239 - ND2_GB1_8 CG1_GB1_29 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 73 240 - ND2_GB1_8 CG2_GB1_29 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 73 241 - ND2_GB1_8 CB_GB1_30 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 73 247 - ND2_GB1_8 CB_GB1_31 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 73 259 - ND2_GB1_8 CG_GB1_31 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 73 260 - ND2_GB1_8 CD_GB1_31 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 73 261 - ND2_GB1_8 CE_GB1_31 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 73 262 - ND2_GB1_8 CB_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 73 269 - ND2_GB1_8 CG_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 73 270 - ND2_GB1_8 CB_GB1_33 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 73 279 - ND2_GB1_8 CB_GB1_34 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 73 292 - ND2_GB1_8 CB_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 73 298 - ND2_GB1_8 CB_GB1_36 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 73 307 - ND2_GB1_8 CB_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 73 316 - ND2_GB1_8 CA_GB1_38 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 73 324 - ND2_GB1_8 CB_GB1_39 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 73 330 - ND2_GB1_8 CG1_GB1_39 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 73 331 - ND2_GB1_8 CG2_GB1_39 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 73 332 - ND2_GB1_8 CB_GB1_40 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 73 338 - ND2_GB1_8 CA_GB1_41 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 73 346 - ND2_GB1_8 CB_GB1_42 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 73 352 - ND2_GB1_8 CG_GB1_42 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 73 353 - ND2_GB1_8 CB_GB1_43 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 73 362 - ND2_GB1_8 CB_GB1_44 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 73 377 - ND2_GB1_8 CG2_GB1_44 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 73 379 - ND2_GB1_8 CB_GB1_45 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 73 385 - ND2_GB1_8 CB_GB1_46 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 73 398 - ND2_GB1_8 CB_GB1_47 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 73 407 - ND2_GB1_8 CB_GB1_48 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 73 416 - ND2_GB1_8 CB_GB1_49 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 73 422 - ND2_GB1_8 CG2_GB1_49 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 73 424 - ND2_GB1_8 CB_GB1_50 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 73 430 - ND2_GB1_8 CG_GB1_50 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 73 431 - ND2_GB1_8 CD_GB1_50 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 73 432 - ND2_GB1_8 CE_GB1_50 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 73 433 - ND2_GB1_8 CB_GB1_51 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 73 440 - ND2_GB1_8 CG2_GB1_51 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 73 442 - ND2_GB1_8 CB_GB1_52 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 73 448 - ND2_GB1_8 CB_GB1_53 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 73 460 - ND2_GB1_8 CG2_GB1_53 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 73 462 - ND2_GB1_8 CB_GB1_54 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 73 468 - ND2_GB1_8 CG1_GB1_54 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 73 469 - ND2_GB1_8 CG2_GB1_54 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 73 470 - ND2_GB1_8 CB_GB1_55 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 73 476 - ND2_GB1_8 CG2_GB1_55 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 73 478 - ND2_GB1_8 CB_GB1_56 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 73 484 - ND2_GB1_8 CG_GB1_56 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 73 485 - C_GB1_8 CA_GB1_9 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 74 78 - C_GB1_8 CB_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 74 84 - C_GB1_8 CG_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 74 85 - C_GB1_8 CD_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 74 86 - C_GB1_8 CE_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 74 87 - C_GB1_8 CB_GB1_11 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 74 94 - C_GB1_8 CG2_GB1_11 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 74 96 - C_GB1_8 CB_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 74 102 - C_GB1_8 CG_GB1_12 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 74 103 - C_GB1_8 CD1_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 74 104 - C_GB1_8 CD2_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 74 105 - C_GB1_8 CB_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 74 111 - C_GB1_8 CG_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 74 112 - C_GB1_8 CD_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 74 113 - C_GB1_8 CE_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 74 114 - C_GB1_8 CA_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 74 120 - C_GB1_8 CB_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 74 126 - C_GB1_8 CG_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 74 127 - C_GB1_8 CB_GB1_16 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 74 136 - C_GB1_8 CG2_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 74 138 - C_GB1_8 CB_GB1_17 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 74 144 - C_GB1_8 CG2_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 74 146 - C_GB1_8 CB_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 74 152 - C_GB1_8 CG2_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 74 154 - C_GB1_8 CB_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 74 160 - C_GB1_8 CG_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 74 161 - C_GB1_8 CB_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 74 170 - C_GB1_8 CB_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 74 176 - C_GB1_8 CG1_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 74 177 - C_GB1_8 CG2_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 74 178 - C_GB1_8 CB_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 74 184 - C_GB1_8 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 74 193 - C_GB1_8 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 74 199 - C_GB1_8 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 74 205 - C_GB1_8 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 74 207 - C_GB1_8 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 74 213 - C_GB1_8 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 74 219 - C_GB1_8 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 74 220 - C_GB1_8 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 74 229 - C_GB1_8 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 74 230 - C_GB1_8 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 74 231 - C_GB1_8 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 74 232 - C_GB1_8 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 74 239 - C_GB1_8 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 74 240 - C_GB1_8 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 74 241 - C_GB1_8 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 74 247 - C_GB1_8 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 74 259 - C_GB1_8 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 74 260 - C_GB1_8 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 74 261 - C_GB1_8 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 74 262 - C_GB1_8 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 74 269 - C_GB1_8 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 74 270 - C_GB1_8 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 74 279 - C_GB1_8 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 74 292 - C_GB1_8 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 74 298 - C_GB1_8 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 74 307 - C_GB1_8 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 74 316 - C_GB1_8 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 74 324 - C_GB1_8 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 74 330 - C_GB1_8 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 74 331 - C_GB1_8 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 74 332 - C_GB1_8 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 74 338 - C_GB1_8 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 74 346 - C_GB1_8 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 74 352 - C_GB1_8 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 74 353 - C_GB1_8 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 74 362 - C_GB1_8 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 74 377 - C_GB1_8 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 74 379 - C_GB1_8 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 74 385 - C_GB1_8 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 74 398 - C_GB1_8 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 74 407 - C_GB1_8 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 74 416 - C_GB1_8 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 74 422 - C_GB1_8 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 74 424 - C_GB1_8 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 74 430 - C_GB1_8 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 74 431 - C_GB1_8 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 74 432 - C_GB1_8 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 74 433 - C_GB1_8 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 74 440 - C_GB1_8 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 74 442 - C_GB1_8 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 74 448 - C_GB1_8 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 74 460 - C_GB1_8 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 74 462 - C_GB1_8 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 74 468 - C_GB1_8 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 74 469 - C_GB1_8 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 74 470 - C_GB1_8 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 74 476 - C_GB1_8 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 74 478 - C_GB1_8 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 74 484 - C_GB1_8 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 74 485 + ND2_GB1_8 CA_GB1_9 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 73 78 + ND2_GB1_8 CB_GB1_10 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 73 84 + ND2_GB1_8 CG_GB1_10 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 73 85 + ND2_GB1_8 CD_GB1_10 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 73 86 + ND2_GB1_8 CE_GB1_10 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 73 87 + ND2_GB1_8 CB_GB1_11 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 73 94 + ND2_GB1_8 CG2_GB1_11 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 73 96 + ND2_GB1_8 CB_GB1_12 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 73 102 + ND2_GB1_8 CG_GB1_12 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 73 103 + ND2_GB1_8 CD1_GB1_12 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 73 104 + ND2_GB1_8 CD2_GB1_12 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 73 105 + ND2_GB1_8 CB_GB1_13 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 73 111 + ND2_GB1_8 CG_GB1_13 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 73 112 + ND2_GB1_8 CD_GB1_13 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 73 113 + ND2_GB1_8 CE_GB1_13 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 73 114 + ND2_GB1_8 CA_GB1_14 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 73 120 + ND2_GB1_8 CB_GB1_15 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 73 126 + ND2_GB1_8 CG_GB1_15 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 73 127 + ND2_GB1_8 CB_GB1_16 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 73 136 + ND2_GB1_8 CG2_GB1_16 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 73 138 + ND2_GB1_8 CB_GB1_17 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 73 144 + ND2_GB1_8 CG2_GB1_17 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 73 146 + ND2_GB1_8 CB_GB1_18 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 73 152 + ND2_GB1_8 CG2_GB1_18 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 73 154 + ND2_GB1_8 CB_GB1_19 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 73 160 + ND2_GB1_8 CG_GB1_19 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 73 161 + ND2_GB1_8 CB_GB1_20 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 73 170 + ND2_GB1_8 CB_GB1_21 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 73 176 + ND2_GB1_8 CG1_GB1_21 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 73 177 + ND2_GB1_8 CG2_GB1_21 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 73 178 + ND2_GB1_8 CB_GB1_22 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 73 184 + ND2_GB1_8 CB_GB1_23 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 73 193 + ND2_GB1_8 CB_GB1_24 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 73 199 + ND2_GB1_8 CB_GB1_25 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 73 205 + ND2_GB1_8 CG2_GB1_25 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 73 207 + ND2_GB1_8 CB_GB1_26 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 73 213 + ND2_GB1_8 CB_GB1_27 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 73 219 + ND2_GB1_8 CG_GB1_27 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 73 220 + ND2_GB1_8 CB_GB1_28 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 73 229 + ND2_GB1_8 CG_GB1_28 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 73 230 + ND2_GB1_8 CD_GB1_28 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 73 231 + ND2_GB1_8 CE_GB1_28 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 73 232 + ND2_GB1_8 CB_GB1_29 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 73 239 + ND2_GB1_8 CG1_GB1_29 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 73 240 + ND2_GB1_8 CG2_GB1_29 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 73 241 + ND2_GB1_8 CB_GB1_30 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 73 247 + ND2_GB1_8 CB_GB1_31 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 73 259 + ND2_GB1_8 CG_GB1_31 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 73 260 + ND2_GB1_8 CD_GB1_31 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 73 261 + ND2_GB1_8 CE_GB1_31 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 73 262 + ND2_GB1_8 CB_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 73 269 + ND2_GB1_8 CG_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 73 270 + ND2_GB1_8 CB_GB1_33 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 73 279 + ND2_GB1_8 CB_GB1_34 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 73 292 + ND2_GB1_8 CB_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 73 298 + ND2_GB1_8 CB_GB1_36 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 73 307 + ND2_GB1_8 CB_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 73 316 + ND2_GB1_8 CA_GB1_38 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 73 324 + ND2_GB1_8 CB_GB1_39 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 73 330 + ND2_GB1_8 CG1_GB1_39 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 73 331 + ND2_GB1_8 CG2_GB1_39 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 73 332 + ND2_GB1_8 CB_GB1_40 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 73 338 + ND2_GB1_8 CA_GB1_41 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 73 346 + ND2_GB1_8 CB_GB1_42 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 73 352 + ND2_GB1_8 CG_GB1_42 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 73 353 + ND2_GB1_8 CB_GB1_43 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 73 362 + ND2_GB1_8 CB_GB1_44 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 73 377 + ND2_GB1_8 CG2_GB1_44 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 73 379 + ND2_GB1_8 CB_GB1_45 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 73 385 + ND2_GB1_8 CB_GB1_46 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 73 398 + ND2_GB1_8 CB_GB1_47 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 73 407 + ND2_GB1_8 CB_GB1_48 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 73 416 + ND2_GB1_8 CB_GB1_49 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 73 422 + ND2_GB1_8 CG2_GB1_49 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 73 424 + ND2_GB1_8 CB_GB1_50 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 73 430 + ND2_GB1_8 CG_GB1_50 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 73 431 + ND2_GB1_8 CD_GB1_50 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 73 432 + ND2_GB1_8 CE_GB1_50 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 73 433 + ND2_GB1_8 CB_GB1_51 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 73 440 + ND2_GB1_8 CG2_GB1_51 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 73 442 + ND2_GB1_8 CB_GB1_52 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 73 448 + ND2_GB1_8 CB_GB1_53 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 73 460 + ND2_GB1_8 CG2_GB1_53 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 73 462 + ND2_GB1_8 CB_GB1_54 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 73 468 + ND2_GB1_8 CG1_GB1_54 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 73 469 + ND2_GB1_8 CG2_GB1_54 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 73 470 + ND2_GB1_8 CB_GB1_55 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 73 476 + ND2_GB1_8 CG2_GB1_55 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 73 478 + ND2_GB1_8 CB_GB1_56 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 73 484 + ND2_GB1_8 CG_GB1_56 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 73 485 + C_GB1_8 CA_GB1_9 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 74 78 + C_GB1_8 CB_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 74 84 + C_GB1_8 CG_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 74 85 + C_GB1_8 CD_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 74 86 + C_GB1_8 CE_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 74 87 + C_GB1_8 CB_GB1_11 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 74 94 + C_GB1_8 CG2_GB1_11 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 74 96 + C_GB1_8 CB_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 74 102 + C_GB1_8 CG_GB1_12 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 74 103 + C_GB1_8 CD1_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 74 104 + C_GB1_8 CD2_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 74 105 + C_GB1_8 CB_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 74 111 + C_GB1_8 CG_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 74 112 + C_GB1_8 CD_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 74 113 + C_GB1_8 CE_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 74 114 + C_GB1_8 CA_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 74 120 + C_GB1_8 CB_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 74 126 + C_GB1_8 CG_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 74 127 + C_GB1_8 CB_GB1_16 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 74 136 + C_GB1_8 CG2_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 74 138 + C_GB1_8 CB_GB1_17 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 74 144 + C_GB1_8 CG2_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 74 146 + C_GB1_8 CB_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 74 152 + C_GB1_8 CG2_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 74 154 + C_GB1_8 CB_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 74 160 + C_GB1_8 CG_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 74 161 + C_GB1_8 CB_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 74 170 + C_GB1_8 CB_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 74 176 + C_GB1_8 CG1_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 74 177 + C_GB1_8 CG2_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 74 178 + C_GB1_8 CB_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 74 184 + C_GB1_8 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 74 193 + C_GB1_8 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 74 199 + C_GB1_8 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 74 205 + C_GB1_8 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 74 207 + C_GB1_8 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 74 213 + C_GB1_8 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 74 219 + C_GB1_8 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 74 220 + C_GB1_8 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 74 229 + C_GB1_8 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 74 230 + C_GB1_8 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 74 231 + C_GB1_8 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 74 232 + C_GB1_8 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 74 239 + C_GB1_8 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 74 240 + C_GB1_8 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 74 241 + C_GB1_8 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 74 247 + C_GB1_8 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 74 259 + C_GB1_8 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 74 260 + C_GB1_8 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 74 261 + C_GB1_8 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 74 262 + C_GB1_8 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 74 269 + C_GB1_8 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 74 270 + C_GB1_8 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 74 279 + C_GB1_8 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 74 292 + C_GB1_8 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 74 298 + C_GB1_8 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 74 307 + C_GB1_8 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 74 316 + C_GB1_8 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 74 324 + C_GB1_8 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 74 330 + C_GB1_8 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 74 331 + C_GB1_8 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 74 332 + C_GB1_8 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 74 338 + C_GB1_8 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 74 346 + C_GB1_8 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 74 352 + C_GB1_8 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 74 353 + C_GB1_8 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 74 362 + C_GB1_8 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 74 377 + C_GB1_8 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 74 379 + C_GB1_8 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 74 385 + C_GB1_8 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 74 398 + C_GB1_8 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 74 407 + C_GB1_8 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 74 416 + C_GB1_8 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 74 422 + C_GB1_8 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 74 424 + C_GB1_8 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 74 430 + C_GB1_8 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 74 431 + C_GB1_8 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 74 432 + C_GB1_8 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 74 433 + C_GB1_8 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 74 440 + C_GB1_8 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 74 442 + C_GB1_8 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 74 448 + C_GB1_8 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 74 460 + C_GB1_8 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 74 462 + C_GB1_8 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 74 468 + C_GB1_8 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 74 469 + C_GB1_8 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 74 470 + C_GB1_8 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 74 476 + C_GB1_8 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 74 478 + C_GB1_8 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 74 484 + C_GB1_8 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 74 485 O_GB1_8 O_GB1_8 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 75 75 O_GB1_8 H_GB1_9 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 75 77 O_GB1_8 CA_GB1_9 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 75 78 @@ -10912,96 +10912,96 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573658e-04 5.159165e-08 O_GB1_8 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 75 488 O_GB1_8 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 75 490 O_GB1_8 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 75 491 - N_GB1_9 CA_GB1_9 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 76 78 - N_GB1_9 CB_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 76 84 - N_GB1_9 CG_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 76 85 - N_GB1_9 CD_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 76 86 - N_GB1_9 CE_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 76 87 - N_GB1_9 CB_GB1_11 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 76 94 - N_GB1_9 CG2_GB1_11 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 76 96 - N_GB1_9 CB_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 76 102 - N_GB1_9 CG_GB1_12 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 76 103 - N_GB1_9 CD1_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 76 104 - N_GB1_9 CD2_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 76 105 - N_GB1_9 CB_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 76 111 - N_GB1_9 CG_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 76 112 - N_GB1_9 CD_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 76 113 - N_GB1_9 CE_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 76 114 - N_GB1_9 CA_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 76 120 - N_GB1_9 CB_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 76 126 - N_GB1_9 CG_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 76 127 - N_GB1_9 CB_GB1_16 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 76 136 - N_GB1_9 CG2_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 76 138 - N_GB1_9 CB_GB1_17 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 76 144 - N_GB1_9 CG2_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 76 146 - N_GB1_9 CB_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 76 152 - N_GB1_9 CG2_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 76 154 - N_GB1_9 CB_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 76 160 - N_GB1_9 CG_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 76 161 - N_GB1_9 CB_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 76 170 - N_GB1_9 CB_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 76 176 - N_GB1_9 CG1_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 76 177 - N_GB1_9 CG2_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 76 178 - N_GB1_9 CB_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 76 184 - N_GB1_9 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 76 193 - N_GB1_9 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 76 199 - N_GB1_9 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 76 205 - N_GB1_9 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 76 207 - N_GB1_9 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 76 213 - N_GB1_9 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 76 219 - N_GB1_9 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 76 220 - N_GB1_9 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 76 229 - N_GB1_9 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 76 230 - N_GB1_9 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 76 231 - N_GB1_9 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 76 232 - N_GB1_9 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 76 239 - N_GB1_9 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 76 240 - N_GB1_9 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 76 241 - N_GB1_9 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 76 247 - N_GB1_9 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 76 259 - N_GB1_9 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 76 260 - N_GB1_9 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 76 261 - N_GB1_9 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 76 262 - N_GB1_9 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 76 269 - N_GB1_9 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 76 270 - N_GB1_9 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 76 279 - N_GB1_9 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 76 292 - N_GB1_9 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 76 298 - N_GB1_9 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 76 307 - N_GB1_9 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 76 316 - N_GB1_9 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 76 324 - N_GB1_9 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 76 330 - N_GB1_9 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 76 331 - N_GB1_9 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 76 332 - N_GB1_9 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 76 338 - N_GB1_9 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 76 346 - N_GB1_9 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 76 352 - N_GB1_9 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 76 353 - N_GB1_9 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 76 362 - N_GB1_9 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 76 377 - N_GB1_9 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 76 379 - N_GB1_9 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 76 385 - N_GB1_9 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 76 398 - N_GB1_9 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 76 407 - N_GB1_9 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 76 416 - N_GB1_9 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 76 422 - N_GB1_9 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 76 424 - N_GB1_9 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 76 430 - N_GB1_9 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 76 431 - N_GB1_9 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 76 432 - N_GB1_9 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 76 433 - N_GB1_9 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 76 440 - N_GB1_9 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 76 442 - N_GB1_9 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 76 448 - N_GB1_9 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 76 460 - N_GB1_9 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 76 462 - N_GB1_9 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 76 468 - N_GB1_9 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 76 469 - N_GB1_9 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 76 470 - N_GB1_9 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 76 476 - N_GB1_9 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 76 478 - N_GB1_9 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 76 484 - N_GB1_9 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 76 485 + N_GB1_9 CA_GB1_9 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 76 78 + N_GB1_9 CB_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 76 84 + N_GB1_9 CG_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 76 85 + N_GB1_9 CD_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 76 86 + N_GB1_9 CE_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 76 87 + N_GB1_9 CB_GB1_11 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 76 94 + N_GB1_9 CG2_GB1_11 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 76 96 + N_GB1_9 CB_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 76 102 + N_GB1_9 CG_GB1_12 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 76 103 + N_GB1_9 CD1_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 76 104 + N_GB1_9 CD2_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 76 105 + N_GB1_9 CB_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 76 111 + N_GB1_9 CG_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 76 112 + N_GB1_9 CD_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 76 113 + N_GB1_9 CE_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 76 114 + N_GB1_9 CA_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 76 120 + N_GB1_9 CB_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 76 126 + N_GB1_9 CG_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 76 127 + N_GB1_9 CB_GB1_16 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 76 136 + N_GB1_9 CG2_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 76 138 + N_GB1_9 CB_GB1_17 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 76 144 + N_GB1_9 CG2_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 76 146 + N_GB1_9 CB_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 76 152 + N_GB1_9 CG2_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 76 154 + N_GB1_9 CB_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 76 160 + N_GB1_9 CG_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 76 161 + N_GB1_9 CB_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 76 170 + N_GB1_9 CB_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 76 176 + N_GB1_9 CG1_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 76 177 + N_GB1_9 CG2_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 76 178 + N_GB1_9 CB_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 76 184 + N_GB1_9 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 76 193 + N_GB1_9 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 76 199 + N_GB1_9 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 76 205 + N_GB1_9 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 76 207 + N_GB1_9 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 76 213 + N_GB1_9 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 76 219 + N_GB1_9 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 76 220 + N_GB1_9 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 76 229 + N_GB1_9 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 76 230 + N_GB1_9 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 76 231 + N_GB1_9 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 76 232 + N_GB1_9 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 76 239 + N_GB1_9 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 76 240 + N_GB1_9 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 76 241 + N_GB1_9 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 76 247 + N_GB1_9 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 76 259 + N_GB1_9 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 76 260 + N_GB1_9 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 76 261 + N_GB1_9 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 76 262 + N_GB1_9 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 76 269 + N_GB1_9 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 76 270 + N_GB1_9 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 76 279 + N_GB1_9 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 76 292 + N_GB1_9 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 76 298 + N_GB1_9 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 76 307 + N_GB1_9 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 76 316 + N_GB1_9 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 76 324 + N_GB1_9 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 76 330 + N_GB1_9 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 76 331 + N_GB1_9 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 76 332 + N_GB1_9 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 76 338 + N_GB1_9 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 76 346 + N_GB1_9 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 76 352 + N_GB1_9 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 76 353 + N_GB1_9 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 76 362 + N_GB1_9 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 76 377 + N_GB1_9 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 76 379 + N_GB1_9 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 76 385 + N_GB1_9 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 76 398 + N_GB1_9 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 76 407 + N_GB1_9 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 76 416 + N_GB1_9 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 76 422 + N_GB1_9 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 76 424 + N_GB1_9 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 76 430 + N_GB1_9 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 76 431 + N_GB1_9 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 76 432 + N_GB1_9 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 76 433 + N_GB1_9 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 76 440 + N_GB1_9 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 76 442 + N_GB1_9 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 76 448 + N_GB1_9 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 76 460 + N_GB1_9 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 76 462 + N_GB1_9 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 76 468 + N_GB1_9 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 76 469 + N_GB1_9 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 76 470 + N_GB1_9 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 76 476 + N_GB1_9 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 76 478 + N_GB1_9 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 76 484 + N_GB1_9 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 76 485 H_GB1_9 H_GB1_9 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 77 77 H_GB1_9 O_GB1_9 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 77 80 H_GB1_9 H_GB1_10 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 77 82 @@ -11134,296 +11134,296 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573658e-04 5.159165e-08 H_GB1_9 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 77 488 H_GB1_9 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 77 490 H_GB1_9 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 77 491 - CA_GB1_9 C_GB1_9 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 79 + CA_GB1_9 C_GB1_9 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 79 CA_GB1_9 O_GB1_9 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 78 80 - CA_GB1_9 N_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 81 - CA_GB1_9 NZ_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 88 - CA_GB1_9 C_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 89 + CA_GB1_9 N_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 81 + CA_GB1_9 NZ_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 88 + CA_GB1_9 C_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 89 CA_GB1_9 O_GB1_10 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 78 90 - CA_GB1_9 N_GB1_11 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 91 - CA_GB1_9 OG1_GB1_11 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 78 95 - CA_GB1_9 C_GB1_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 97 + CA_GB1_9 N_GB1_11 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 91 + CA_GB1_9 OG1_GB1_11 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 78 95 + CA_GB1_9 C_GB1_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 97 CA_GB1_9 O_GB1_11 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 78 98 - CA_GB1_9 N_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 99 - CA_GB1_9 C_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 106 + CA_GB1_9 N_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 99 + CA_GB1_9 C_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 106 CA_GB1_9 O_GB1_12 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 78 107 - CA_GB1_9 N_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 108 - CA_GB1_9 NZ_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 115 - CA_GB1_9 C_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 116 + CA_GB1_9 N_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 108 + CA_GB1_9 NZ_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 115 + CA_GB1_9 C_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 116 CA_GB1_9 O_GB1_13 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 78 117 - CA_GB1_9 N_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 118 - CA_GB1_9 C_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 121 + CA_GB1_9 N_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 118 + CA_GB1_9 C_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 121 CA_GB1_9 O_GB1_14 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 78 122 - CA_GB1_9 N_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 123 - CA_GB1_9 CD_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 128 - CA_GB1_9 OE1_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 78 129 - CA_GB1_9 OE2_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 78 130 - CA_GB1_9 C_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 131 + CA_GB1_9 N_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 123 + CA_GB1_9 CD_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 128 + CA_GB1_9 OE1_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 78 129 + CA_GB1_9 OE2_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 78 130 + CA_GB1_9 C_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 131 CA_GB1_9 O_GB1_15 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 78 132 - CA_GB1_9 N_GB1_16 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 133 - CA_GB1_9 OG1_GB1_16 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 78 137 - CA_GB1_9 C_GB1_16 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 139 + CA_GB1_9 N_GB1_16 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 133 + CA_GB1_9 OG1_GB1_16 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 78 137 + CA_GB1_9 C_GB1_16 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 139 CA_GB1_9 O_GB1_16 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 78 140 - CA_GB1_9 N_GB1_17 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 141 - CA_GB1_9 OG1_GB1_17 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 78 145 - CA_GB1_9 C_GB1_17 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 147 + CA_GB1_9 N_GB1_17 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 141 + CA_GB1_9 OG1_GB1_17 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 78 145 + CA_GB1_9 C_GB1_17 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 147 CA_GB1_9 O_GB1_17 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 78 148 - CA_GB1_9 N_GB1_18 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 149 - CA_GB1_9 OG1_GB1_18 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 78 153 - CA_GB1_9 C_GB1_18 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 155 + CA_GB1_9 N_GB1_18 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 149 + CA_GB1_9 OG1_GB1_18 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 78 153 + CA_GB1_9 C_GB1_18 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 155 CA_GB1_9 O_GB1_18 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 78 156 - CA_GB1_9 N_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 157 - CA_GB1_9 CD_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 162 - CA_GB1_9 OE1_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 78 163 - CA_GB1_9 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 78 164 - CA_GB1_9 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 165 + CA_GB1_9 N_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 157 + CA_GB1_9 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 162 + CA_GB1_9 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 78 163 + CA_GB1_9 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 78 164 + CA_GB1_9 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 165 CA_GB1_9 O_GB1_19 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 78 166 - CA_GB1_9 N_GB1_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 167 - CA_GB1_9 C_GB1_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 171 + CA_GB1_9 N_GB1_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 167 + CA_GB1_9 C_GB1_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 171 CA_GB1_9 O_GB1_20 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 78 172 - CA_GB1_9 N_GB1_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 173 - CA_GB1_9 C_GB1_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 179 + CA_GB1_9 N_GB1_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 173 + CA_GB1_9 C_GB1_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 179 CA_GB1_9 O_GB1_21 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 78 180 - CA_GB1_9 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 181 - CA_GB1_9 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 185 - CA_GB1_9 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 78 186 - CA_GB1_9 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 78 187 - CA_GB1_9 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 188 + CA_GB1_9 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 181 + CA_GB1_9 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 185 + CA_GB1_9 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 78 186 + CA_GB1_9 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 78 187 + CA_GB1_9 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 188 CA_GB1_9 O_GB1_22 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 78 189 - CA_GB1_9 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 190 - CA_GB1_9 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 194 + CA_GB1_9 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 190 + CA_GB1_9 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 194 CA_GB1_9 O_GB1_23 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 78 195 - CA_GB1_9 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 196 - CA_GB1_9 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 200 + CA_GB1_9 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 196 + CA_GB1_9 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 200 CA_GB1_9 O_GB1_24 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 78 201 - CA_GB1_9 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 202 - CA_GB1_9 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 78 206 - CA_GB1_9 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 208 + CA_GB1_9 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 202 + CA_GB1_9 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 78 206 + CA_GB1_9 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 208 CA_GB1_9 O_GB1_25 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 78 209 - CA_GB1_9 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 210 - CA_GB1_9 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 214 + CA_GB1_9 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 210 + CA_GB1_9 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 214 CA_GB1_9 O_GB1_26 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 78 215 - CA_GB1_9 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 216 - CA_GB1_9 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 221 - CA_GB1_9 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 78 222 - CA_GB1_9 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 78 223 - CA_GB1_9 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 224 + CA_GB1_9 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 216 + CA_GB1_9 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 221 + CA_GB1_9 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 78 222 + CA_GB1_9 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 78 223 + CA_GB1_9 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 224 CA_GB1_9 O_GB1_27 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 78 225 - CA_GB1_9 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 226 - CA_GB1_9 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 233 - CA_GB1_9 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 234 + CA_GB1_9 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 226 + CA_GB1_9 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 233 + CA_GB1_9 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 234 CA_GB1_9 O_GB1_28 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 78 235 - CA_GB1_9 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 236 - CA_GB1_9 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 242 + CA_GB1_9 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 236 + CA_GB1_9 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 242 CA_GB1_9 O_GB1_29 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 78 243 - CA_GB1_9 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 244 - CA_GB1_9 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 254 + CA_GB1_9 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 244 + CA_GB1_9 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 254 CA_GB1_9 O_GB1_30 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 78 255 - CA_GB1_9 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 256 - CA_GB1_9 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 263 - CA_GB1_9 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 264 + CA_GB1_9 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 256 + CA_GB1_9 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 263 + CA_GB1_9 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 264 CA_GB1_9 O_GB1_31 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 78 265 - CA_GB1_9 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 266 - CA_GB1_9 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 271 + CA_GB1_9 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 266 + CA_GB1_9 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 271 CA_GB1_9 OE1_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 78 272 - CA_GB1_9 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 78 273 - CA_GB1_9 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 274 + CA_GB1_9 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 78 273 + CA_GB1_9 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 274 CA_GB1_9 O_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 78 275 - CA_GB1_9 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 276 - CA_GB1_9 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 78 286 - CA_GB1_9 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 287 + CA_GB1_9 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 276 + CA_GB1_9 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 78 286 + CA_GB1_9 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 287 CA_GB1_9 O_GB1_33 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 78 288 - CA_GB1_9 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 289 - CA_GB1_9 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 293 + CA_GB1_9 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 289 + CA_GB1_9 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 293 CA_GB1_9 O_GB1_34 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 78 294 - CA_GB1_9 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 295 - CA_GB1_9 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 299 + CA_GB1_9 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 295 + CA_GB1_9 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 299 CA_GB1_9 OD1_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 78 300 - CA_GB1_9 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 78 301 - CA_GB1_9 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 302 + CA_GB1_9 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 78 301 + CA_GB1_9 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 302 CA_GB1_9 O_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 78 303 - CA_GB1_9 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 304 - CA_GB1_9 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 308 - CA_GB1_9 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 78 309 - CA_GB1_9 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 78 310 - CA_GB1_9 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 311 + CA_GB1_9 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 304 + CA_GB1_9 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 308 + CA_GB1_9 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 78 309 + CA_GB1_9 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 78 310 + CA_GB1_9 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 311 CA_GB1_9 O_GB1_36 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 78 312 - CA_GB1_9 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 313 - CA_GB1_9 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 317 + CA_GB1_9 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 313 + CA_GB1_9 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 317 CA_GB1_9 OD1_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 78 318 - CA_GB1_9 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 78 319 - CA_GB1_9 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 320 + CA_GB1_9 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 78 319 + CA_GB1_9 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 320 CA_GB1_9 O_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 78 321 - CA_GB1_9 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 322 - CA_GB1_9 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 325 + CA_GB1_9 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 322 + CA_GB1_9 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 325 CA_GB1_9 O_GB1_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 78 326 - CA_GB1_9 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 327 - CA_GB1_9 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 333 + CA_GB1_9 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 327 + CA_GB1_9 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 333 CA_GB1_9 O_GB1_39 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 78 334 - CA_GB1_9 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 335 - CA_GB1_9 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 339 - CA_GB1_9 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 78 340 - CA_GB1_9 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 78 341 - CA_GB1_9 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 342 + CA_GB1_9 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 335 + CA_GB1_9 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 339 + CA_GB1_9 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 78 340 + CA_GB1_9 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 78 341 + CA_GB1_9 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 342 CA_GB1_9 O_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 78 343 - CA_GB1_9 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 344 - CA_GB1_9 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 347 + CA_GB1_9 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 344 + CA_GB1_9 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 347 CA_GB1_9 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 78 348 - CA_GB1_9 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 349 - CA_GB1_9 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 354 - CA_GB1_9 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 78 355 - CA_GB1_9 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 78 356 - CA_GB1_9 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 357 + CA_GB1_9 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 349 + CA_GB1_9 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 354 + CA_GB1_9 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 78 355 + CA_GB1_9 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 78 356 + CA_GB1_9 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 357 CA_GB1_9 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 78 358 - CA_GB1_9 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 359 - CA_GB1_9 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 78 366 - CA_GB1_9 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 372 + CA_GB1_9 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 359 + CA_GB1_9 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 78 366 + CA_GB1_9 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 372 CA_GB1_9 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 78 373 - CA_GB1_9 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 374 - CA_GB1_9 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 78 378 - CA_GB1_9 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 380 + CA_GB1_9 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 374 + CA_GB1_9 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 78 378 + CA_GB1_9 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 380 CA_GB1_9 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 78 381 - CA_GB1_9 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 382 - CA_GB1_9 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 78 392 - CA_GB1_9 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 393 + CA_GB1_9 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 382 + CA_GB1_9 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 78 392 + CA_GB1_9 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 393 CA_GB1_9 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 78 394 - CA_GB1_9 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 395 - CA_GB1_9 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 399 - CA_GB1_9 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 78 400 - CA_GB1_9 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 78 401 - CA_GB1_9 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 402 + CA_GB1_9 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 395 + CA_GB1_9 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 399 + CA_GB1_9 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 78 400 + CA_GB1_9 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 78 401 + CA_GB1_9 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 402 CA_GB1_9 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 78 403 - CA_GB1_9 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 404 - CA_GB1_9 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 408 - CA_GB1_9 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 78 409 - CA_GB1_9 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 78 410 - CA_GB1_9 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 411 + CA_GB1_9 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 404 + CA_GB1_9 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 408 + CA_GB1_9 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 78 409 + CA_GB1_9 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 78 410 + CA_GB1_9 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 411 CA_GB1_9 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 78 412 - CA_GB1_9 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 413 - CA_GB1_9 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 417 + CA_GB1_9 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 413 + CA_GB1_9 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 417 CA_GB1_9 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 78 418 - CA_GB1_9 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 419 - CA_GB1_9 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 78 423 - CA_GB1_9 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 425 + CA_GB1_9 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 419 + CA_GB1_9 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 78 423 + CA_GB1_9 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 425 CA_GB1_9 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 78 426 - CA_GB1_9 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 427 - CA_GB1_9 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 434 - CA_GB1_9 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 435 + CA_GB1_9 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 427 + CA_GB1_9 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 434 + CA_GB1_9 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 435 CA_GB1_9 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 78 436 - CA_GB1_9 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 437 - CA_GB1_9 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 78 441 - CA_GB1_9 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 443 + CA_GB1_9 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 437 + CA_GB1_9 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 78 441 + CA_GB1_9 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 443 CA_GB1_9 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 78 444 - CA_GB1_9 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 445 - CA_GB1_9 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 455 + CA_GB1_9 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 445 + CA_GB1_9 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 455 CA_GB1_9 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 78 456 - CA_GB1_9 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 457 - CA_GB1_9 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 78 461 - CA_GB1_9 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 463 + CA_GB1_9 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 457 + CA_GB1_9 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 78 461 + CA_GB1_9 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 463 CA_GB1_9 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 78 464 - CA_GB1_9 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 465 - CA_GB1_9 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 471 + CA_GB1_9 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 465 + CA_GB1_9 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 471 CA_GB1_9 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 78 472 - CA_GB1_9 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 473 - CA_GB1_9 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 78 477 - CA_GB1_9 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 479 + CA_GB1_9 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 473 + CA_GB1_9 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 78 477 + CA_GB1_9 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 479 CA_GB1_9 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 78 480 - CA_GB1_9 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 78 481 - CA_GB1_9 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 486 - CA_GB1_9 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 78 487 - CA_GB1_9 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 78 488 - CA_GB1_9 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 78 489 - CA_GB1_9 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 78 490 - CA_GB1_9 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 78 491 - C_GB1_9 CB_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 79 84 - C_GB1_9 CG_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 79 85 - C_GB1_9 CD_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 79 86 - C_GB1_9 CE_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 79 87 - C_GB1_9 CB_GB1_11 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 79 94 - C_GB1_9 CG2_GB1_11 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 79 96 - C_GB1_9 CB_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 79 102 - C_GB1_9 CG_GB1_12 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 79 103 - C_GB1_9 CD1_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 79 104 - C_GB1_9 CD2_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 79 105 - C_GB1_9 CB_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 79 111 - C_GB1_9 CG_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 79 112 - C_GB1_9 CD_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 79 113 - C_GB1_9 CE_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 79 114 - C_GB1_9 CA_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 79 120 - C_GB1_9 CB_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 79 126 - C_GB1_9 CG_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 79 127 - C_GB1_9 CB_GB1_16 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 79 136 - C_GB1_9 CG2_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 79 138 - C_GB1_9 CB_GB1_17 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 79 144 - C_GB1_9 CG2_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 79 146 - C_GB1_9 CB_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 79 152 - C_GB1_9 CG2_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 79 154 - C_GB1_9 CB_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 79 160 - C_GB1_9 CG_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 79 161 - C_GB1_9 CB_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 79 170 - C_GB1_9 CB_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 79 176 - C_GB1_9 CG1_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 79 177 - C_GB1_9 CG2_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 79 178 - C_GB1_9 CB_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 79 184 - C_GB1_9 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 79 193 - C_GB1_9 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 79 199 - C_GB1_9 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 79 205 - C_GB1_9 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 79 207 - C_GB1_9 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 79 213 - C_GB1_9 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 79 219 - C_GB1_9 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 79 220 - C_GB1_9 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 79 229 - C_GB1_9 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 79 230 - C_GB1_9 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 79 231 - C_GB1_9 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 79 232 - C_GB1_9 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 79 239 - C_GB1_9 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 79 240 - C_GB1_9 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 79 241 - C_GB1_9 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 79 247 - C_GB1_9 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 79 259 - C_GB1_9 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 79 260 - C_GB1_9 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 79 261 - C_GB1_9 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 79 262 - C_GB1_9 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 79 269 - C_GB1_9 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 79 270 - C_GB1_9 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 79 279 - C_GB1_9 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 79 292 - C_GB1_9 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 79 298 - C_GB1_9 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 79 307 - C_GB1_9 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 79 316 - C_GB1_9 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 79 324 - C_GB1_9 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 79 330 - C_GB1_9 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 79 331 - C_GB1_9 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 79 332 - C_GB1_9 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 79 338 - C_GB1_9 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 79 346 - C_GB1_9 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 79 352 - C_GB1_9 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 79 353 - C_GB1_9 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 79 362 - C_GB1_9 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 79 377 - C_GB1_9 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 79 379 - C_GB1_9 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 79 385 - C_GB1_9 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 79 398 - C_GB1_9 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 79 407 - C_GB1_9 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 79 416 - C_GB1_9 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 79 422 - C_GB1_9 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 79 424 - C_GB1_9 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 79 430 - C_GB1_9 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 79 431 - C_GB1_9 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 79 432 - C_GB1_9 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 79 433 - C_GB1_9 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 79 440 - C_GB1_9 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 79 442 - C_GB1_9 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 79 448 - C_GB1_9 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 79 460 - C_GB1_9 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 79 462 - C_GB1_9 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 79 468 - C_GB1_9 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 79 469 - C_GB1_9 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 79 470 - C_GB1_9 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 79 476 - C_GB1_9 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 79 478 - C_GB1_9 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 79 484 - C_GB1_9 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 79 485 + CA_GB1_9 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 78 481 + CA_GB1_9 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 486 + CA_GB1_9 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 78 487 + CA_GB1_9 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 78 488 + CA_GB1_9 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 78 489 + CA_GB1_9 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 78 490 + CA_GB1_9 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 78 491 + C_GB1_9 CB_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 79 84 + C_GB1_9 CG_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 79 85 + C_GB1_9 CD_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 79 86 + C_GB1_9 CE_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 79 87 + C_GB1_9 CB_GB1_11 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 79 94 + C_GB1_9 CG2_GB1_11 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 79 96 + C_GB1_9 CB_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 79 102 + C_GB1_9 CG_GB1_12 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 79 103 + C_GB1_9 CD1_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 79 104 + C_GB1_9 CD2_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 79 105 + C_GB1_9 CB_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 79 111 + C_GB1_9 CG_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 79 112 + C_GB1_9 CD_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 79 113 + C_GB1_9 CE_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 79 114 + C_GB1_9 CA_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 79 120 + C_GB1_9 CB_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 79 126 + C_GB1_9 CG_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 79 127 + C_GB1_9 CB_GB1_16 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 79 136 + C_GB1_9 CG2_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 79 138 + C_GB1_9 CB_GB1_17 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 79 144 + C_GB1_9 CG2_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 79 146 + C_GB1_9 CB_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 79 152 + C_GB1_9 CG2_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 79 154 + C_GB1_9 CB_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 79 160 + C_GB1_9 CG_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 79 161 + C_GB1_9 CB_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 79 170 + C_GB1_9 CB_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 79 176 + C_GB1_9 CG1_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 79 177 + C_GB1_9 CG2_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 79 178 + C_GB1_9 CB_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 79 184 + C_GB1_9 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 79 193 + C_GB1_9 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 79 199 + C_GB1_9 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 79 205 + C_GB1_9 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 79 207 + C_GB1_9 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 79 213 + C_GB1_9 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 79 219 + C_GB1_9 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 79 220 + C_GB1_9 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 79 229 + C_GB1_9 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 79 230 + C_GB1_9 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 79 231 + C_GB1_9 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 79 232 + C_GB1_9 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 79 239 + C_GB1_9 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 79 240 + C_GB1_9 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 79 241 + C_GB1_9 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 79 247 + C_GB1_9 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 79 259 + C_GB1_9 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 79 260 + C_GB1_9 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 79 261 + C_GB1_9 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 79 262 + C_GB1_9 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 79 269 + C_GB1_9 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 79 270 + C_GB1_9 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 79 279 + C_GB1_9 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 79 292 + C_GB1_9 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 79 298 + C_GB1_9 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 79 307 + C_GB1_9 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 79 316 + C_GB1_9 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 79 324 + C_GB1_9 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 79 330 + C_GB1_9 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 79 331 + C_GB1_9 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 79 332 + C_GB1_9 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 79 338 + C_GB1_9 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 79 346 + C_GB1_9 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 79 352 + C_GB1_9 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 79 353 + C_GB1_9 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 79 362 + C_GB1_9 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 79 377 + C_GB1_9 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 79 379 + C_GB1_9 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 79 385 + C_GB1_9 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 79 398 + C_GB1_9 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 79 407 + C_GB1_9 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 79 416 + C_GB1_9 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 79 422 + C_GB1_9 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 79 424 + C_GB1_9 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 79 430 + C_GB1_9 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 79 431 + C_GB1_9 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 79 432 + C_GB1_9 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 79 433 + C_GB1_9 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 79 440 + C_GB1_9 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 79 442 + C_GB1_9 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 79 448 + C_GB1_9 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 79 460 + C_GB1_9 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 79 462 + C_GB1_9 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 79 468 + C_GB1_9 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 79 469 + C_GB1_9 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 79 470 + C_GB1_9 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 79 476 + C_GB1_9 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 79 478 + C_GB1_9 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 79 484 + C_GB1_9 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 79 485 O_GB1_9 O_GB1_9 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 80 80 O_GB1_9 H_GB1_10 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 80 82 O_GB1_9 CB_GB1_10 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 80 84 @@ -11632,95 +11632,95 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573658e-04 5.159165e-08 O_GB1_9 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 80 488 O_GB1_9 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 80 490 O_GB1_9 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 80 491 - N_GB1_10 CB_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 81 84 - N_GB1_10 CG_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 81 85 - N_GB1_10 CD_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 81 86 - N_GB1_10 CE_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 81 87 - N_GB1_10 CB_GB1_11 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 81 94 - N_GB1_10 CG2_GB1_11 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 81 96 - N_GB1_10 CB_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 81 102 - N_GB1_10 CG_GB1_12 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 81 103 - N_GB1_10 CD1_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 81 104 - N_GB1_10 CD2_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 81 105 - N_GB1_10 CB_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 81 111 - N_GB1_10 CG_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 81 112 - N_GB1_10 CD_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 81 113 - N_GB1_10 CE_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 81 114 - N_GB1_10 CA_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 81 120 - N_GB1_10 CB_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 81 126 - N_GB1_10 CG_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 81 127 - N_GB1_10 CB_GB1_16 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 81 136 - N_GB1_10 CG2_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 81 138 - N_GB1_10 CB_GB1_17 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 81 144 - N_GB1_10 CG2_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 81 146 - N_GB1_10 CB_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 81 152 - N_GB1_10 CG2_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 81 154 - N_GB1_10 CB_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 81 160 - N_GB1_10 CG_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 81 161 - N_GB1_10 CB_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 81 170 - N_GB1_10 CB_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 81 176 - N_GB1_10 CG1_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 81 177 - N_GB1_10 CG2_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 81 178 - N_GB1_10 CB_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 81 184 - N_GB1_10 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 81 193 - N_GB1_10 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 81 199 - N_GB1_10 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 81 205 - N_GB1_10 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 81 207 - N_GB1_10 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 81 213 - N_GB1_10 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 81 219 - N_GB1_10 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 81 220 - N_GB1_10 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 81 229 - N_GB1_10 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 81 230 - N_GB1_10 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 81 231 - N_GB1_10 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 81 232 - N_GB1_10 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 81 239 - N_GB1_10 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 81 240 - N_GB1_10 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 81 241 - N_GB1_10 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 81 247 - N_GB1_10 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 81 259 - N_GB1_10 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 81 260 - N_GB1_10 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 81 261 - N_GB1_10 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 81 262 - N_GB1_10 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 81 269 - N_GB1_10 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 81 270 - N_GB1_10 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 81 279 - N_GB1_10 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 81 292 - N_GB1_10 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 81 298 - N_GB1_10 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 81 307 - N_GB1_10 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 81 316 - N_GB1_10 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 81 324 - N_GB1_10 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 81 330 - N_GB1_10 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 81 331 - N_GB1_10 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 81 332 - N_GB1_10 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 81 338 - N_GB1_10 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 81 346 - N_GB1_10 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 81 352 - N_GB1_10 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 81 353 - N_GB1_10 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 81 362 - N_GB1_10 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 81 377 - N_GB1_10 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 81 379 - N_GB1_10 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 81 385 - N_GB1_10 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 81 398 - N_GB1_10 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 81 407 - N_GB1_10 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 81 416 - N_GB1_10 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 81 422 - N_GB1_10 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 81 424 - N_GB1_10 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 81 430 - N_GB1_10 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 81 431 - N_GB1_10 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 81 432 - N_GB1_10 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 81 433 - N_GB1_10 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 81 440 - N_GB1_10 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 81 442 - N_GB1_10 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 81 448 - N_GB1_10 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 81 460 - N_GB1_10 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 81 462 - N_GB1_10 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 81 468 - N_GB1_10 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 81 469 - N_GB1_10 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 81 470 - N_GB1_10 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 81 476 - N_GB1_10 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 81 478 - N_GB1_10 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 81 484 - N_GB1_10 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 81 485 + N_GB1_10 CB_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 81 84 + N_GB1_10 CG_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 81 85 + N_GB1_10 CD_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 81 86 + N_GB1_10 CE_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 81 87 + N_GB1_10 CB_GB1_11 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 81 94 + N_GB1_10 CG2_GB1_11 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 81 96 + N_GB1_10 CB_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 81 102 + N_GB1_10 CG_GB1_12 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 81 103 + N_GB1_10 CD1_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 81 104 + N_GB1_10 CD2_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 81 105 + N_GB1_10 CB_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 81 111 + N_GB1_10 CG_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 81 112 + N_GB1_10 CD_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 81 113 + N_GB1_10 CE_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 81 114 + N_GB1_10 CA_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 81 120 + N_GB1_10 CB_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 81 126 + N_GB1_10 CG_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 81 127 + N_GB1_10 CB_GB1_16 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 81 136 + N_GB1_10 CG2_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 81 138 + N_GB1_10 CB_GB1_17 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 81 144 + N_GB1_10 CG2_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 81 146 + N_GB1_10 CB_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 81 152 + N_GB1_10 CG2_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 81 154 + N_GB1_10 CB_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 81 160 + N_GB1_10 CG_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 81 161 + N_GB1_10 CB_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 81 170 + N_GB1_10 CB_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 81 176 + N_GB1_10 CG1_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 81 177 + N_GB1_10 CG2_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 81 178 + N_GB1_10 CB_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 81 184 + N_GB1_10 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 81 193 + N_GB1_10 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 81 199 + N_GB1_10 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 81 205 + N_GB1_10 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 81 207 + N_GB1_10 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 81 213 + N_GB1_10 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 81 219 + N_GB1_10 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 81 220 + N_GB1_10 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 81 229 + N_GB1_10 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 81 230 + N_GB1_10 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 81 231 + N_GB1_10 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 81 232 + N_GB1_10 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 81 239 + N_GB1_10 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 81 240 + N_GB1_10 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 81 241 + N_GB1_10 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 81 247 + N_GB1_10 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 81 259 + N_GB1_10 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 81 260 + N_GB1_10 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 81 261 + N_GB1_10 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 81 262 + N_GB1_10 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 81 269 + N_GB1_10 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 81 270 + N_GB1_10 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 81 279 + N_GB1_10 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 81 292 + N_GB1_10 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 81 298 + N_GB1_10 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 81 307 + N_GB1_10 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 81 316 + N_GB1_10 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 81 324 + N_GB1_10 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 81 330 + N_GB1_10 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 81 331 + N_GB1_10 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 81 332 + N_GB1_10 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 81 338 + N_GB1_10 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 81 346 + N_GB1_10 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 81 352 + N_GB1_10 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 81 353 + N_GB1_10 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 81 362 + N_GB1_10 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 81 377 + N_GB1_10 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 81 379 + N_GB1_10 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 81 385 + N_GB1_10 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 81 398 + N_GB1_10 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 81 407 + N_GB1_10 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 81 416 + N_GB1_10 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 81 422 + N_GB1_10 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 81 424 + N_GB1_10 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 81 430 + N_GB1_10 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 81 431 + N_GB1_10 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 81 432 + N_GB1_10 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 81 433 + N_GB1_10 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 81 440 + N_GB1_10 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 81 442 + N_GB1_10 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 81 448 + N_GB1_10 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 81 460 + N_GB1_10 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 81 462 + N_GB1_10 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 81 468 + N_GB1_10 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 81 469 + N_GB1_10 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 81 470 + N_GB1_10 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 81 476 + N_GB1_10 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 81 478 + N_GB1_10 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 81 484 + N_GB1_10 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 81 485 H_GB1_10 H_GB1_10 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 82 82 H_GB1_10 O_GB1_10 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 82 90 H_GB1_10 H_GB1_11 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 82 92 @@ -11851,973 +11851,973 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573658e-04 5.159165e-08 H_GB1_10 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 82 488 H_GB1_10 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 82 490 H_GB1_10 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 82 491 - CB_GB1_10 NZ_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 88 - CB_GB1_10 C_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 89 + CB_GB1_10 NZ_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 88 + CB_GB1_10 C_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 89 CB_GB1_10 O_GB1_10 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 84 90 - CB_GB1_10 N_GB1_11 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 91 - CB_GB1_10 OG1_GB1_11 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 84 95 - CB_GB1_10 C_GB1_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 97 + CB_GB1_10 N_GB1_11 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 91 + CB_GB1_10 OG1_GB1_11 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 84 95 + CB_GB1_10 C_GB1_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 97 CB_GB1_10 O_GB1_11 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 84 98 - CB_GB1_10 N_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 99 - CB_GB1_10 C_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 106 + CB_GB1_10 N_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 99 + CB_GB1_10 C_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 106 CB_GB1_10 O_GB1_12 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 84 107 - CB_GB1_10 N_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 108 - CB_GB1_10 NZ_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 115 - CB_GB1_10 C_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 116 + CB_GB1_10 N_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 108 + CB_GB1_10 NZ_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 115 + CB_GB1_10 C_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 116 CB_GB1_10 O_GB1_13 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 84 117 - CB_GB1_10 N_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 118 - CB_GB1_10 C_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 121 + CB_GB1_10 N_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 118 + CB_GB1_10 C_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 121 CB_GB1_10 O_GB1_14 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 84 122 - CB_GB1_10 N_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 123 - CB_GB1_10 CD_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 128 - CB_GB1_10 OE1_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 84 129 - CB_GB1_10 OE2_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 84 130 - CB_GB1_10 C_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 131 + CB_GB1_10 N_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 123 + CB_GB1_10 CD_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 128 + CB_GB1_10 OE1_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 84 129 + CB_GB1_10 OE2_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 84 130 + CB_GB1_10 C_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 131 CB_GB1_10 O_GB1_15 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 84 132 - CB_GB1_10 N_GB1_16 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 133 - CB_GB1_10 OG1_GB1_16 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 84 137 - CB_GB1_10 C_GB1_16 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 139 + CB_GB1_10 N_GB1_16 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 133 + CB_GB1_10 OG1_GB1_16 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 84 137 + CB_GB1_10 C_GB1_16 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 139 CB_GB1_10 O_GB1_16 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 84 140 - CB_GB1_10 N_GB1_17 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 141 - CB_GB1_10 OG1_GB1_17 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 84 145 - CB_GB1_10 C_GB1_17 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 147 + CB_GB1_10 N_GB1_17 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 141 + CB_GB1_10 OG1_GB1_17 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 84 145 + CB_GB1_10 C_GB1_17 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 147 CB_GB1_10 O_GB1_17 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 84 148 - CB_GB1_10 N_GB1_18 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 149 - CB_GB1_10 OG1_GB1_18 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 84 153 - CB_GB1_10 C_GB1_18 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 155 + CB_GB1_10 N_GB1_18 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 149 + CB_GB1_10 OG1_GB1_18 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 84 153 + CB_GB1_10 C_GB1_18 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 155 CB_GB1_10 O_GB1_18 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 84 156 - CB_GB1_10 N_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 157 - CB_GB1_10 CD_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 162 - CB_GB1_10 OE1_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 84 163 - CB_GB1_10 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 84 164 - CB_GB1_10 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 165 + CB_GB1_10 N_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 157 + CB_GB1_10 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 162 + CB_GB1_10 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 84 163 + CB_GB1_10 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 84 164 + CB_GB1_10 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 165 CB_GB1_10 O_GB1_19 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 84 166 - CB_GB1_10 N_GB1_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 167 - CB_GB1_10 C_GB1_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 171 + CB_GB1_10 N_GB1_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 167 + CB_GB1_10 C_GB1_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 171 CB_GB1_10 O_GB1_20 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 84 172 - CB_GB1_10 N_GB1_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 173 - CB_GB1_10 C_GB1_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 179 + CB_GB1_10 N_GB1_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 173 + CB_GB1_10 C_GB1_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 179 CB_GB1_10 O_GB1_21 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 84 180 - CB_GB1_10 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 181 - CB_GB1_10 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 185 - CB_GB1_10 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 84 186 - CB_GB1_10 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 84 187 - CB_GB1_10 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 188 + CB_GB1_10 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 181 + CB_GB1_10 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 185 + CB_GB1_10 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 84 186 + CB_GB1_10 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 84 187 + CB_GB1_10 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 188 CB_GB1_10 O_GB1_22 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 84 189 - CB_GB1_10 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 190 - CB_GB1_10 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 194 + CB_GB1_10 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 190 + CB_GB1_10 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 194 CB_GB1_10 O_GB1_23 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 84 195 - CB_GB1_10 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 196 - CB_GB1_10 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 200 + CB_GB1_10 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 196 + CB_GB1_10 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 200 CB_GB1_10 O_GB1_24 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 84 201 - CB_GB1_10 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 202 - CB_GB1_10 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 84 206 - CB_GB1_10 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 208 + CB_GB1_10 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 202 + CB_GB1_10 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 84 206 + CB_GB1_10 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 208 CB_GB1_10 O_GB1_25 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 84 209 - CB_GB1_10 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 210 - CB_GB1_10 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 214 + CB_GB1_10 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 210 + CB_GB1_10 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 214 CB_GB1_10 O_GB1_26 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 84 215 - CB_GB1_10 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 216 - CB_GB1_10 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 221 - CB_GB1_10 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 84 222 - CB_GB1_10 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 84 223 - CB_GB1_10 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 224 + CB_GB1_10 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 216 + CB_GB1_10 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 221 + CB_GB1_10 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 84 222 + CB_GB1_10 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 84 223 + CB_GB1_10 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 224 CB_GB1_10 O_GB1_27 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 84 225 - CB_GB1_10 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 226 - CB_GB1_10 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 233 - CB_GB1_10 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 234 + CB_GB1_10 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 226 + CB_GB1_10 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 233 + CB_GB1_10 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 234 CB_GB1_10 O_GB1_28 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 84 235 - CB_GB1_10 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 236 - CB_GB1_10 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 242 + CB_GB1_10 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 236 + CB_GB1_10 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 242 CB_GB1_10 O_GB1_29 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 84 243 - CB_GB1_10 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 244 - CB_GB1_10 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 254 + CB_GB1_10 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 244 + CB_GB1_10 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 254 CB_GB1_10 O_GB1_30 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 84 255 - CB_GB1_10 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 256 - CB_GB1_10 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 263 - CB_GB1_10 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 264 + CB_GB1_10 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 256 + CB_GB1_10 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 263 + CB_GB1_10 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 264 CB_GB1_10 O_GB1_31 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 84 265 - CB_GB1_10 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 266 - CB_GB1_10 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 271 + CB_GB1_10 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 266 + CB_GB1_10 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 271 CB_GB1_10 OE1_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 84 272 - CB_GB1_10 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 84 273 - CB_GB1_10 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 274 + CB_GB1_10 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 84 273 + CB_GB1_10 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 274 CB_GB1_10 O_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 84 275 - CB_GB1_10 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 276 - CB_GB1_10 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 84 286 - CB_GB1_10 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 287 + CB_GB1_10 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 276 + CB_GB1_10 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 84 286 + CB_GB1_10 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 287 CB_GB1_10 O_GB1_33 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 84 288 - CB_GB1_10 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 289 - CB_GB1_10 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 293 + CB_GB1_10 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 289 + CB_GB1_10 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 293 CB_GB1_10 O_GB1_34 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 84 294 - CB_GB1_10 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 295 - CB_GB1_10 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 299 + CB_GB1_10 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 295 + CB_GB1_10 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 299 CB_GB1_10 OD1_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 84 300 - CB_GB1_10 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 84 301 - CB_GB1_10 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 302 + CB_GB1_10 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 84 301 + CB_GB1_10 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 302 CB_GB1_10 O_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 84 303 - CB_GB1_10 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 304 - CB_GB1_10 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 308 - CB_GB1_10 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 84 309 - CB_GB1_10 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 84 310 - CB_GB1_10 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 311 + CB_GB1_10 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 304 + CB_GB1_10 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 308 + CB_GB1_10 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 84 309 + CB_GB1_10 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 84 310 + CB_GB1_10 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 311 CB_GB1_10 O_GB1_36 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 84 312 - CB_GB1_10 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 313 - CB_GB1_10 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 317 + CB_GB1_10 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 313 + CB_GB1_10 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 317 CB_GB1_10 OD1_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 84 318 - CB_GB1_10 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 84 319 - CB_GB1_10 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 320 + CB_GB1_10 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 84 319 + CB_GB1_10 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 320 CB_GB1_10 O_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 84 321 - CB_GB1_10 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 322 - CB_GB1_10 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 325 + CB_GB1_10 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 322 + CB_GB1_10 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 325 CB_GB1_10 O_GB1_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 84 326 - CB_GB1_10 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 327 - CB_GB1_10 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 333 + CB_GB1_10 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 327 + CB_GB1_10 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 333 CB_GB1_10 O_GB1_39 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 84 334 - CB_GB1_10 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 335 - CB_GB1_10 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 339 - CB_GB1_10 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 84 340 - CB_GB1_10 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 84 341 - CB_GB1_10 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 342 + CB_GB1_10 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 335 + CB_GB1_10 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 339 + CB_GB1_10 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 84 340 + CB_GB1_10 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 84 341 + CB_GB1_10 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 342 CB_GB1_10 O_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 84 343 - CB_GB1_10 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 344 - CB_GB1_10 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 347 + CB_GB1_10 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 344 + CB_GB1_10 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 347 CB_GB1_10 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 84 348 - CB_GB1_10 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 349 - CB_GB1_10 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 354 - CB_GB1_10 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 84 355 - CB_GB1_10 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 84 356 - CB_GB1_10 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 357 + CB_GB1_10 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 349 + CB_GB1_10 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 354 + CB_GB1_10 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 84 355 + CB_GB1_10 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 84 356 + CB_GB1_10 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 357 CB_GB1_10 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 84 358 - CB_GB1_10 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 359 - CB_GB1_10 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 84 366 - CB_GB1_10 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 372 + CB_GB1_10 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 359 + CB_GB1_10 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 84 366 + CB_GB1_10 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 372 CB_GB1_10 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 84 373 - CB_GB1_10 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 374 - CB_GB1_10 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 84 378 - CB_GB1_10 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 380 + CB_GB1_10 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 374 + CB_GB1_10 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 84 378 + CB_GB1_10 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 380 CB_GB1_10 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 84 381 - CB_GB1_10 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 382 - CB_GB1_10 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 84 392 - CB_GB1_10 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 393 + CB_GB1_10 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 382 + CB_GB1_10 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 84 392 + CB_GB1_10 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 393 CB_GB1_10 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 84 394 - CB_GB1_10 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 395 - CB_GB1_10 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 399 - CB_GB1_10 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 84 400 - CB_GB1_10 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 84 401 - CB_GB1_10 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 402 + CB_GB1_10 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 395 + CB_GB1_10 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 399 + CB_GB1_10 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 84 400 + CB_GB1_10 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 84 401 + CB_GB1_10 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 402 CB_GB1_10 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 84 403 - CB_GB1_10 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 404 - CB_GB1_10 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 408 - CB_GB1_10 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 84 409 - CB_GB1_10 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 84 410 - CB_GB1_10 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 411 + CB_GB1_10 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 404 + CB_GB1_10 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 408 + CB_GB1_10 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 84 409 + CB_GB1_10 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 84 410 + CB_GB1_10 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 411 CB_GB1_10 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 84 412 - CB_GB1_10 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 413 - CB_GB1_10 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 417 + CB_GB1_10 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 413 + CB_GB1_10 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 417 CB_GB1_10 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 84 418 - CB_GB1_10 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 419 - CB_GB1_10 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 84 423 - CB_GB1_10 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 425 + CB_GB1_10 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 419 + CB_GB1_10 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 84 423 + CB_GB1_10 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 425 CB_GB1_10 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 84 426 - CB_GB1_10 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 427 - CB_GB1_10 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 434 - CB_GB1_10 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 435 + CB_GB1_10 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 427 + CB_GB1_10 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 434 + CB_GB1_10 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 435 CB_GB1_10 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 84 436 - CB_GB1_10 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 437 - CB_GB1_10 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 84 441 - CB_GB1_10 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 443 + CB_GB1_10 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 437 + CB_GB1_10 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 84 441 + CB_GB1_10 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 443 CB_GB1_10 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 84 444 - CB_GB1_10 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 445 - CB_GB1_10 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 455 + CB_GB1_10 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 445 + CB_GB1_10 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 455 CB_GB1_10 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 84 456 - CB_GB1_10 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 457 - CB_GB1_10 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 84 461 - CB_GB1_10 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 463 + CB_GB1_10 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 457 + CB_GB1_10 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 84 461 + CB_GB1_10 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 463 CB_GB1_10 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 84 464 - CB_GB1_10 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 465 - CB_GB1_10 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 471 + CB_GB1_10 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 465 + CB_GB1_10 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 471 CB_GB1_10 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 84 472 - CB_GB1_10 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 473 - CB_GB1_10 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 84 477 - CB_GB1_10 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 479 + CB_GB1_10 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 473 + CB_GB1_10 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 84 477 + CB_GB1_10 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 479 CB_GB1_10 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 84 480 - CB_GB1_10 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 84 481 - CB_GB1_10 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 486 - CB_GB1_10 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 84 487 - CB_GB1_10 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 84 488 - CB_GB1_10 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 84 489 - CB_GB1_10 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 84 490 - CB_GB1_10 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 84 491 - CG_GB1_10 NZ_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 88 - CG_GB1_10 C_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 89 + CB_GB1_10 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 84 481 + CB_GB1_10 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 486 + CB_GB1_10 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 84 487 + CB_GB1_10 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 84 488 + CB_GB1_10 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 84 489 + CB_GB1_10 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 84 490 + CB_GB1_10 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 84 491 + CG_GB1_10 NZ_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 88 + CG_GB1_10 C_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 89 CG_GB1_10 O_GB1_10 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 85 90 - CG_GB1_10 N_GB1_11 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 91 - CG_GB1_10 OG1_GB1_11 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 85 95 - CG_GB1_10 C_GB1_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 97 + CG_GB1_10 N_GB1_11 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 91 + CG_GB1_10 OG1_GB1_11 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 85 95 + CG_GB1_10 C_GB1_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 97 CG_GB1_10 O_GB1_11 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 85 98 - CG_GB1_10 N_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 99 - CG_GB1_10 C_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 106 + CG_GB1_10 N_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 99 + CG_GB1_10 C_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 106 CG_GB1_10 O_GB1_12 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 85 107 - CG_GB1_10 N_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 108 - CG_GB1_10 NZ_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 115 - CG_GB1_10 C_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 116 + CG_GB1_10 N_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 108 + CG_GB1_10 NZ_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 115 + CG_GB1_10 C_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 116 CG_GB1_10 O_GB1_13 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 85 117 - CG_GB1_10 N_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 118 - CG_GB1_10 C_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 121 + CG_GB1_10 N_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 118 + CG_GB1_10 C_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 121 CG_GB1_10 O_GB1_14 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 85 122 - CG_GB1_10 N_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 123 - CG_GB1_10 CD_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 128 - CG_GB1_10 OE1_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 85 129 - CG_GB1_10 OE2_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 85 130 - CG_GB1_10 C_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 131 + CG_GB1_10 N_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 123 + CG_GB1_10 CD_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 128 + CG_GB1_10 OE1_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 85 129 + CG_GB1_10 OE2_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 85 130 + CG_GB1_10 C_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 131 CG_GB1_10 O_GB1_15 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 85 132 - CG_GB1_10 N_GB1_16 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 133 - CG_GB1_10 OG1_GB1_16 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 85 137 - CG_GB1_10 C_GB1_16 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 139 + CG_GB1_10 N_GB1_16 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 133 + CG_GB1_10 OG1_GB1_16 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 85 137 + CG_GB1_10 C_GB1_16 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 139 CG_GB1_10 O_GB1_16 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 85 140 - CG_GB1_10 N_GB1_17 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 141 - CG_GB1_10 OG1_GB1_17 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 85 145 - CG_GB1_10 C_GB1_17 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 147 + CG_GB1_10 N_GB1_17 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 141 + CG_GB1_10 OG1_GB1_17 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 85 145 + CG_GB1_10 C_GB1_17 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 147 CG_GB1_10 O_GB1_17 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 85 148 - CG_GB1_10 N_GB1_18 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 149 - CG_GB1_10 OG1_GB1_18 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 85 153 - CG_GB1_10 C_GB1_18 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 155 + CG_GB1_10 N_GB1_18 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 149 + CG_GB1_10 OG1_GB1_18 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 85 153 + CG_GB1_10 C_GB1_18 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 155 CG_GB1_10 O_GB1_18 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 85 156 - CG_GB1_10 N_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 157 - CG_GB1_10 CD_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 162 - CG_GB1_10 OE1_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 85 163 - CG_GB1_10 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 85 164 - CG_GB1_10 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 165 + CG_GB1_10 N_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 157 + CG_GB1_10 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 162 + CG_GB1_10 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 85 163 + CG_GB1_10 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 85 164 + CG_GB1_10 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 165 CG_GB1_10 O_GB1_19 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 85 166 - CG_GB1_10 N_GB1_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 167 - CG_GB1_10 C_GB1_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 171 + CG_GB1_10 N_GB1_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 167 + CG_GB1_10 C_GB1_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 171 CG_GB1_10 O_GB1_20 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 85 172 - CG_GB1_10 N_GB1_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 173 - CG_GB1_10 C_GB1_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 179 + CG_GB1_10 N_GB1_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 173 + CG_GB1_10 C_GB1_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 179 CG_GB1_10 O_GB1_21 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 85 180 - CG_GB1_10 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 181 - CG_GB1_10 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 185 - CG_GB1_10 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 85 186 - CG_GB1_10 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 85 187 - CG_GB1_10 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 188 + CG_GB1_10 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 181 + CG_GB1_10 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 185 + CG_GB1_10 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 85 186 + CG_GB1_10 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 85 187 + CG_GB1_10 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 188 CG_GB1_10 O_GB1_22 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 85 189 - CG_GB1_10 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 190 - CG_GB1_10 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 194 + CG_GB1_10 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 190 + CG_GB1_10 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 194 CG_GB1_10 O_GB1_23 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 85 195 - CG_GB1_10 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 196 - CG_GB1_10 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 200 + CG_GB1_10 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 196 + CG_GB1_10 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 200 CG_GB1_10 O_GB1_24 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 85 201 - CG_GB1_10 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 202 - CG_GB1_10 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 85 206 - CG_GB1_10 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 208 + CG_GB1_10 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 202 + CG_GB1_10 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 85 206 + CG_GB1_10 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 208 CG_GB1_10 O_GB1_25 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 85 209 - CG_GB1_10 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 210 - CG_GB1_10 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 214 + CG_GB1_10 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 210 + CG_GB1_10 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 214 CG_GB1_10 O_GB1_26 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 85 215 - CG_GB1_10 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 216 - CG_GB1_10 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 221 - CG_GB1_10 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 85 222 - CG_GB1_10 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 85 223 - CG_GB1_10 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 224 + CG_GB1_10 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 216 + CG_GB1_10 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 221 + CG_GB1_10 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 85 222 + CG_GB1_10 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 85 223 + CG_GB1_10 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 224 CG_GB1_10 O_GB1_27 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 85 225 - CG_GB1_10 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 226 - CG_GB1_10 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 233 - CG_GB1_10 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 234 + CG_GB1_10 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 226 + CG_GB1_10 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 233 + CG_GB1_10 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 234 CG_GB1_10 O_GB1_28 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 85 235 - CG_GB1_10 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 236 - CG_GB1_10 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 242 + CG_GB1_10 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 236 + CG_GB1_10 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 242 CG_GB1_10 O_GB1_29 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 85 243 - CG_GB1_10 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 244 - CG_GB1_10 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 254 + CG_GB1_10 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 244 + CG_GB1_10 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 254 CG_GB1_10 O_GB1_30 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 85 255 - CG_GB1_10 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 256 - CG_GB1_10 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 263 - CG_GB1_10 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 264 + CG_GB1_10 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 256 + CG_GB1_10 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 263 + CG_GB1_10 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 264 CG_GB1_10 O_GB1_31 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 85 265 - CG_GB1_10 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 266 - CG_GB1_10 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 271 + CG_GB1_10 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 266 + CG_GB1_10 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 271 CG_GB1_10 OE1_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 85 272 - CG_GB1_10 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 85 273 - CG_GB1_10 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 274 + CG_GB1_10 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 85 273 + CG_GB1_10 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 274 CG_GB1_10 O_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 85 275 - CG_GB1_10 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 276 - CG_GB1_10 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 85 286 - CG_GB1_10 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 287 + CG_GB1_10 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 276 + CG_GB1_10 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 85 286 + CG_GB1_10 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 287 CG_GB1_10 O_GB1_33 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 85 288 - CG_GB1_10 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 289 - CG_GB1_10 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 293 + CG_GB1_10 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 289 + CG_GB1_10 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 293 CG_GB1_10 O_GB1_34 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 85 294 - CG_GB1_10 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 295 - CG_GB1_10 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 299 + CG_GB1_10 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 295 + CG_GB1_10 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 299 CG_GB1_10 OD1_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 85 300 - CG_GB1_10 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 85 301 - CG_GB1_10 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 302 + CG_GB1_10 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 85 301 + CG_GB1_10 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 302 CG_GB1_10 O_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 85 303 - CG_GB1_10 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 304 - CG_GB1_10 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 308 - CG_GB1_10 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 85 309 - CG_GB1_10 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 85 310 - CG_GB1_10 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 311 + CG_GB1_10 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 304 + CG_GB1_10 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 308 + CG_GB1_10 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 85 309 + CG_GB1_10 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 85 310 + CG_GB1_10 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 311 CG_GB1_10 O_GB1_36 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 85 312 - CG_GB1_10 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 313 - CG_GB1_10 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 317 + CG_GB1_10 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 313 + CG_GB1_10 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 317 CG_GB1_10 OD1_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 85 318 - CG_GB1_10 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 85 319 - CG_GB1_10 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 320 + CG_GB1_10 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 85 319 + CG_GB1_10 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 320 CG_GB1_10 O_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 85 321 - CG_GB1_10 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 322 - CG_GB1_10 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 325 + CG_GB1_10 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 322 + CG_GB1_10 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 325 CG_GB1_10 O_GB1_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 85 326 - CG_GB1_10 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 327 - CG_GB1_10 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 333 + CG_GB1_10 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 327 + CG_GB1_10 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 333 CG_GB1_10 O_GB1_39 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 85 334 - CG_GB1_10 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 335 - CG_GB1_10 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 339 - CG_GB1_10 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 85 340 - CG_GB1_10 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 85 341 - CG_GB1_10 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 342 + CG_GB1_10 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 335 + CG_GB1_10 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 339 + CG_GB1_10 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 85 340 + CG_GB1_10 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 85 341 + CG_GB1_10 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 342 CG_GB1_10 O_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 85 343 - CG_GB1_10 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 344 - CG_GB1_10 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 347 + CG_GB1_10 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 344 + CG_GB1_10 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 347 CG_GB1_10 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 85 348 - CG_GB1_10 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 349 - CG_GB1_10 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 354 - CG_GB1_10 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 85 355 - CG_GB1_10 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 85 356 - CG_GB1_10 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 357 + CG_GB1_10 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 349 + CG_GB1_10 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 354 + CG_GB1_10 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 85 355 + CG_GB1_10 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 85 356 + CG_GB1_10 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 357 CG_GB1_10 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 85 358 - CG_GB1_10 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 359 - CG_GB1_10 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 85 366 - CG_GB1_10 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 372 + CG_GB1_10 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 359 + CG_GB1_10 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 85 366 + CG_GB1_10 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 372 CG_GB1_10 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 85 373 - CG_GB1_10 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 374 - CG_GB1_10 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 85 378 - CG_GB1_10 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 380 + CG_GB1_10 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 374 + CG_GB1_10 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 85 378 + CG_GB1_10 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 380 CG_GB1_10 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 85 381 - CG_GB1_10 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 382 - CG_GB1_10 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 85 392 - CG_GB1_10 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 393 + CG_GB1_10 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 382 + CG_GB1_10 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 85 392 + CG_GB1_10 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 393 CG_GB1_10 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 85 394 - CG_GB1_10 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 395 - CG_GB1_10 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 399 - CG_GB1_10 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 85 400 - CG_GB1_10 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 85 401 - CG_GB1_10 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 402 + CG_GB1_10 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 395 + CG_GB1_10 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 399 + CG_GB1_10 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 85 400 + CG_GB1_10 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 85 401 + CG_GB1_10 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 402 CG_GB1_10 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 85 403 - CG_GB1_10 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 404 - CG_GB1_10 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 408 - CG_GB1_10 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 85 409 - CG_GB1_10 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 85 410 - CG_GB1_10 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 411 + CG_GB1_10 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 404 + CG_GB1_10 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 408 + CG_GB1_10 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 85 409 + CG_GB1_10 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 85 410 + CG_GB1_10 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 411 CG_GB1_10 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 85 412 - CG_GB1_10 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 413 - CG_GB1_10 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 417 + CG_GB1_10 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 413 + CG_GB1_10 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 417 CG_GB1_10 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 85 418 - CG_GB1_10 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 419 - CG_GB1_10 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 85 423 - CG_GB1_10 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 425 + CG_GB1_10 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 419 + CG_GB1_10 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 85 423 + CG_GB1_10 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 425 CG_GB1_10 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 85 426 - CG_GB1_10 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 427 - CG_GB1_10 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 434 - CG_GB1_10 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 435 + CG_GB1_10 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 427 + CG_GB1_10 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 434 + CG_GB1_10 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 435 CG_GB1_10 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 85 436 - CG_GB1_10 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 437 - CG_GB1_10 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 85 441 - CG_GB1_10 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 443 + CG_GB1_10 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 437 + CG_GB1_10 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 85 441 + CG_GB1_10 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 443 CG_GB1_10 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 85 444 - CG_GB1_10 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 445 - CG_GB1_10 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 455 + CG_GB1_10 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 445 + CG_GB1_10 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 455 CG_GB1_10 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 85 456 - CG_GB1_10 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 457 - CG_GB1_10 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 85 461 - CG_GB1_10 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 463 + CG_GB1_10 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 457 + CG_GB1_10 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 85 461 + CG_GB1_10 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 463 CG_GB1_10 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 85 464 - CG_GB1_10 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 465 - CG_GB1_10 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 471 + CG_GB1_10 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 465 + CG_GB1_10 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 471 CG_GB1_10 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 85 472 - CG_GB1_10 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 473 - CG_GB1_10 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 85 477 - CG_GB1_10 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 479 + CG_GB1_10 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 473 + CG_GB1_10 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 85 477 + CG_GB1_10 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 479 CG_GB1_10 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 85 480 - CG_GB1_10 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 85 481 - CG_GB1_10 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 486 - CG_GB1_10 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 85 487 - CG_GB1_10 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 85 488 - CG_GB1_10 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 85 489 - CG_GB1_10 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 85 490 - CG_GB1_10 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 85 491 - CD_GB1_10 NZ_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 88 - CD_GB1_10 C_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 89 + CG_GB1_10 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 85 481 + CG_GB1_10 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 486 + CG_GB1_10 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 85 487 + CG_GB1_10 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 85 488 + CG_GB1_10 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 85 489 + CG_GB1_10 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 85 490 + CG_GB1_10 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 85 491 + CD_GB1_10 NZ_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 88 + CD_GB1_10 C_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 89 CD_GB1_10 O_GB1_10 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 86 90 - CD_GB1_10 N_GB1_11 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 91 - CD_GB1_10 OG1_GB1_11 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 86 95 - CD_GB1_10 C_GB1_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 97 + CD_GB1_10 N_GB1_11 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 91 + CD_GB1_10 OG1_GB1_11 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 86 95 + CD_GB1_10 C_GB1_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 97 CD_GB1_10 O_GB1_11 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 86 98 - CD_GB1_10 N_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 99 - CD_GB1_10 C_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 106 + CD_GB1_10 N_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 99 + CD_GB1_10 C_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 106 CD_GB1_10 O_GB1_12 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 86 107 - CD_GB1_10 N_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 108 - CD_GB1_10 NZ_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 115 - CD_GB1_10 C_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 116 + CD_GB1_10 N_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 108 + CD_GB1_10 NZ_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 115 + CD_GB1_10 C_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 116 CD_GB1_10 O_GB1_13 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 86 117 - CD_GB1_10 N_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 118 - CD_GB1_10 C_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 121 + CD_GB1_10 N_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 118 + CD_GB1_10 C_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 121 CD_GB1_10 O_GB1_14 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 86 122 - CD_GB1_10 N_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 123 - CD_GB1_10 CD_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 128 - CD_GB1_10 OE1_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 86 129 - CD_GB1_10 OE2_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 86 130 - CD_GB1_10 C_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 131 + CD_GB1_10 N_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 123 + CD_GB1_10 CD_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 128 + CD_GB1_10 OE1_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 86 129 + CD_GB1_10 OE2_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 86 130 + CD_GB1_10 C_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 131 CD_GB1_10 O_GB1_15 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 86 132 - CD_GB1_10 N_GB1_16 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 133 - CD_GB1_10 OG1_GB1_16 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 86 137 - CD_GB1_10 C_GB1_16 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 139 + CD_GB1_10 N_GB1_16 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 133 + CD_GB1_10 OG1_GB1_16 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 86 137 + CD_GB1_10 C_GB1_16 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 139 CD_GB1_10 O_GB1_16 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 86 140 - CD_GB1_10 N_GB1_17 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 141 - CD_GB1_10 OG1_GB1_17 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 86 145 - CD_GB1_10 C_GB1_17 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 147 + CD_GB1_10 N_GB1_17 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 141 + CD_GB1_10 OG1_GB1_17 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 86 145 + CD_GB1_10 C_GB1_17 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 147 CD_GB1_10 O_GB1_17 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 86 148 - CD_GB1_10 N_GB1_18 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 149 - CD_GB1_10 OG1_GB1_18 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 86 153 - CD_GB1_10 C_GB1_18 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 155 + CD_GB1_10 N_GB1_18 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 149 + CD_GB1_10 OG1_GB1_18 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 86 153 + CD_GB1_10 C_GB1_18 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 155 CD_GB1_10 O_GB1_18 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 86 156 - CD_GB1_10 N_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 157 - CD_GB1_10 CD_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 162 - CD_GB1_10 OE1_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 86 163 - CD_GB1_10 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 86 164 - CD_GB1_10 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 165 + CD_GB1_10 N_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 157 + CD_GB1_10 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 162 + CD_GB1_10 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 86 163 + CD_GB1_10 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 86 164 + CD_GB1_10 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 165 CD_GB1_10 O_GB1_19 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 86 166 - CD_GB1_10 N_GB1_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 167 - CD_GB1_10 C_GB1_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 171 + CD_GB1_10 N_GB1_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 167 + CD_GB1_10 C_GB1_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 171 CD_GB1_10 O_GB1_20 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 86 172 - CD_GB1_10 N_GB1_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 173 - CD_GB1_10 C_GB1_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 179 + CD_GB1_10 N_GB1_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 173 + CD_GB1_10 C_GB1_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 179 CD_GB1_10 O_GB1_21 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 86 180 - CD_GB1_10 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 181 - CD_GB1_10 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 185 - CD_GB1_10 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 86 186 - CD_GB1_10 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 86 187 - CD_GB1_10 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 188 + CD_GB1_10 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 181 + CD_GB1_10 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 185 + CD_GB1_10 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 86 186 + CD_GB1_10 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 86 187 + CD_GB1_10 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 188 CD_GB1_10 O_GB1_22 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 86 189 - CD_GB1_10 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 190 - CD_GB1_10 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 194 + CD_GB1_10 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 190 + CD_GB1_10 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 194 CD_GB1_10 O_GB1_23 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 86 195 - CD_GB1_10 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 196 - CD_GB1_10 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 200 + CD_GB1_10 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 196 + CD_GB1_10 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 200 CD_GB1_10 O_GB1_24 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 86 201 - CD_GB1_10 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 202 - CD_GB1_10 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 86 206 - CD_GB1_10 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 208 + CD_GB1_10 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 202 + CD_GB1_10 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 86 206 + CD_GB1_10 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 208 CD_GB1_10 O_GB1_25 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 86 209 - CD_GB1_10 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 210 - CD_GB1_10 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 214 + CD_GB1_10 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 210 + CD_GB1_10 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 214 CD_GB1_10 O_GB1_26 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 86 215 - CD_GB1_10 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 216 - CD_GB1_10 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 221 - CD_GB1_10 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 86 222 - CD_GB1_10 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 86 223 - CD_GB1_10 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 224 + CD_GB1_10 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 216 + CD_GB1_10 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 221 + CD_GB1_10 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 86 222 + CD_GB1_10 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 86 223 + CD_GB1_10 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 224 CD_GB1_10 O_GB1_27 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 86 225 - CD_GB1_10 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 226 - CD_GB1_10 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 233 - CD_GB1_10 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 234 + CD_GB1_10 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 226 + CD_GB1_10 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 233 + CD_GB1_10 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 234 CD_GB1_10 O_GB1_28 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 86 235 - CD_GB1_10 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 236 - CD_GB1_10 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 242 + CD_GB1_10 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 236 + CD_GB1_10 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 242 CD_GB1_10 O_GB1_29 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 86 243 - CD_GB1_10 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 244 - CD_GB1_10 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 254 + CD_GB1_10 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 244 + CD_GB1_10 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 254 CD_GB1_10 O_GB1_30 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 86 255 - CD_GB1_10 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 256 - CD_GB1_10 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 263 - CD_GB1_10 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 264 + CD_GB1_10 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 256 + CD_GB1_10 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 263 + CD_GB1_10 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 264 CD_GB1_10 O_GB1_31 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 86 265 - CD_GB1_10 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 266 - CD_GB1_10 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 271 + CD_GB1_10 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 266 + CD_GB1_10 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 271 CD_GB1_10 OE1_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 86 272 - CD_GB1_10 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 86 273 - CD_GB1_10 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 274 + CD_GB1_10 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 86 273 + CD_GB1_10 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 274 CD_GB1_10 O_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 86 275 - CD_GB1_10 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 276 - CD_GB1_10 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 86 286 - CD_GB1_10 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 287 + CD_GB1_10 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 276 + CD_GB1_10 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 86 286 + CD_GB1_10 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 287 CD_GB1_10 O_GB1_33 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 86 288 - CD_GB1_10 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 289 - CD_GB1_10 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 293 + CD_GB1_10 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 289 + CD_GB1_10 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 293 CD_GB1_10 O_GB1_34 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 86 294 - CD_GB1_10 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 295 - CD_GB1_10 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 299 + CD_GB1_10 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 295 + CD_GB1_10 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 299 CD_GB1_10 OD1_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 86 300 - CD_GB1_10 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 86 301 - CD_GB1_10 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 302 + CD_GB1_10 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 86 301 + CD_GB1_10 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 302 CD_GB1_10 O_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 86 303 - CD_GB1_10 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 304 - CD_GB1_10 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 308 - CD_GB1_10 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 86 309 - CD_GB1_10 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 86 310 - CD_GB1_10 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 311 + CD_GB1_10 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 304 + CD_GB1_10 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 308 + CD_GB1_10 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 86 309 + CD_GB1_10 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 86 310 + CD_GB1_10 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 311 CD_GB1_10 O_GB1_36 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 86 312 - CD_GB1_10 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 313 - CD_GB1_10 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 317 + CD_GB1_10 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 313 + CD_GB1_10 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 317 CD_GB1_10 OD1_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 86 318 - CD_GB1_10 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 86 319 - CD_GB1_10 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 320 + CD_GB1_10 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 86 319 + CD_GB1_10 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 320 CD_GB1_10 O_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 86 321 - CD_GB1_10 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 322 - CD_GB1_10 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 325 + CD_GB1_10 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 322 + CD_GB1_10 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 325 CD_GB1_10 O_GB1_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 86 326 - CD_GB1_10 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 327 - CD_GB1_10 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 333 + CD_GB1_10 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 327 + CD_GB1_10 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 333 CD_GB1_10 O_GB1_39 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 86 334 - CD_GB1_10 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 335 - CD_GB1_10 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 339 - CD_GB1_10 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 86 340 - CD_GB1_10 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 86 341 - CD_GB1_10 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 342 + CD_GB1_10 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 335 + CD_GB1_10 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 339 + CD_GB1_10 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 86 340 + CD_GB1_10 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 86 341 + CD_GB1_10 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 342 CD_GB1_10 O_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 86 343 - CD_GB1_10 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 344 - CD_GB1_10 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 347 + CD_GB1_10 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 344 + CD_GB1_10 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 347 CD_GB1_10 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 86 348 - CD_GB1_10 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 349 - CD_GB1_10 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 354 - CD_GB1_10 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 86 355 - CD_GB1_10 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 86 356 - CD_GB1_10 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 357 + CD_GB1_10 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 349 + CD_GB1_10 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 354 + CD_GB1_10 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 86 355 + CD_GB1_10 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 86 356 + CD_GB1_10 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 357 CD_GB1_10 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 86 358 - CD_GB1_10 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 359 - CD_GB1_10 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 86 366 - CD_GB1_10 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 372 + CD_GB1_10 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 359 + CD_GB1_10 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 86 366 + CD_GB1_10 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 372 CD_GB1_10 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 86 373 - CD_GB1_10 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 374 - CD_GB1_10 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 86 378 - CD_GB1_10 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 380 + CD_GB1_10 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 374 + CD_GB1_10 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 86 378 + CD_GB1_10 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 380 CD_GB1_10 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 86 381 - CD_GB1_10 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 382 - CD_GB1_10 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 86 392 - CD_GB1_10 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 393 + CD_GB1_10 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 382 + CD_GB1_10 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 86 392 + CD_GB1_10 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 393 CD_GB1_10 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 86 394 - CD_GB1_10 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 395 - CD_GB1_10 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 399 - CD_GB1_10 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 86 400 - CD_GB1_10 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 86 401 - CD_GB1_10 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 402 + CD_GB1_10 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 395 + CD_GB1_10 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 399 + CD_GB1_10 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 86 400 + CD_GB1_10 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 86 401 + CD_GB1_10 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 402 CD_GB1_10 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 86 403 - CD_GB1_10 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 404 - CD_GB1_10 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 408 - CD_GB1_10 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 86 409 - CD_GB1_10 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 86 410 - CD_GB1_10 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 411 + CD_GB1_10 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 404 + CD_GB1_10 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 408 + CD_GB1_10 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 86 409 + CD_GB1_10 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 86 410 + CD_GB1_10 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 411 CD_GB1_10 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 86 412 - CD_GB1_10 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 413 - CD_GB1_10 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 417 + CD_GB1_10 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 413 + CD_GB1_10 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 417 CD_GB1_10 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 86 418 - CD_GB1_10 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 419 - CD_GB1_10 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 86 423 - CD_GB1_10 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 425 + CD_GB1_10 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 419 + CD_GB1_10 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 86 423 + CD_GB1_10 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 425 CD_GB1_10 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 86 426 - CD_GB1_10 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 427 - CD_GB1_10 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 434 - CD_GB1_10 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 435 + CD_GB1_10 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 427 + CD_GB1_10 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 434 + CD_GB1_10 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 435 CD_GB1_10 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 86 436 - CD_GB1_10 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 437 - CD_GB1_10 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 86 441 - CD_GB1_10 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 443 + CD_GB1_10 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 437 + CD_GB1_10 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 86 441 + CD_GB1_10 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 443 CD_GB1_10 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 86 444 - CD_GB1_10 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 445 - CD_GB1_10 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 455 + CD_GB1_10 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 445 + CD_GB1_10 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 455 CD_GB1_10 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 86 456 - CD_GB1_10 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 457 - CD_GB1_10 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 86 461 - CD_GB1_10 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 463 + CD_GB1_10 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 457 + CD_GB1_10 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 86 461 + CD_GB1_10 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 463 CD_GB1_10 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 86 464 - CD_GB1_10 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 465 - CD_GB1_10 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 471 + CD_GB1_10 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 465 + CD_GB1_10 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 471 CD_GB1_10 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 86 472 - CD_GB1_10 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 473 - CD_GB1_10 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 86 477 - CD_GB1_10 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 479 + CD_GB1_10 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 473 + CD_GB1_10 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 86 477 + CD_GB1_10 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 479 CD_GB1_10 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 86 480 - CD_GB1_10 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 86 481 - CD_GB1_10 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 486 - CD_GB1_10 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 86 487 - CD_GB1_10 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 86 488 - CD_GB1_10 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 86 489 - CD_GB1_10 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 86 490 - CD_GB1_10 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 86 491 - CE_GB1_10 NZ_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 88 - CE_GB1_10 C_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 89 + CD_GB1_10 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 86 481 + CD_GB1_10 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 486 + CD_GB1_10 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 86 487 + CD_GB1_10 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 86 488 + CD_GB1_10 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 86 489 + CD_GB1_10 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 86 490 + CD_GB1_10 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 86 491 + CE_GB1_10 NZ_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 88 + CE_GB1_10 C_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 89 CE_GB1_10 O_GB1_10 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 87 90 - CE_GB1_10 N_GB1_11 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 91 - CE_GB1_10 OG1_GB1_11 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 87 95 - CE_GB1_10 C_GB1_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 97 + CE_GB1_10 N_GB1_11 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 91 + CE_GB1_10 OG1_GB1_11 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 87 95 + CE_GB1_10 C_GB1_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 97 CE_GB1_10 O_GB1_11 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 87 98 - CE_GB1_10 N_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 99 - CE_GB1_10 C_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 106 + CE_GB1_10 N_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 99 + CE_GB1_10 C_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 106 CE_GB1_10 O_GB1_12 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 87 107 - CE_GB1_10 N_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 108 - CE_GB1_10 NZ_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 115 - CE_GB1_10 C_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 116 + CE_GB1_10 N_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 108 + CE_GB1_10 NZ_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 115 + CE_GB1_10 C_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 116 CE_GB1_10 O_GB1_13 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 87 117 - CE_GB1_10 N_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 118 - CE_GB1_10 C_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 121 + CE_GB1_10 N_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 118 + CE_GB1_10 C_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 121 CE_GB1_10 O_GB1_14 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 87 122 - CE_GB1_10 N_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 123 - CE_GB1_10 CD_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 128 - CE_GB1_10 OE1_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 87 129 - CE_GB1_10 OE2_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 87 130 - CE_GB1_10 C_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 131 + CE_GB1_10 N_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 123 + CE_GB1_10 CD_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 128 + CE_GB1_10 OE1_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 87 129 + CE_GB1_10 OE2_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 87 130 + CE_GB1_10 C_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 131 CE_GB1_10 O_GB1_15 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 87 132 - CE_GB1_10 N_GB1_16 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 133 - CE_GB1_10 OG1_GB1_16 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 87 137 - CE_GB1_10 C_GB1_16 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 139 + CE_GB1_10 N_GB1_16 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 133 + CE_GB1_10 OG1_GB1_16 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 87 137 + CE_GB1_10 C_GB1_16 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 139 CE_GB1_10 O_GB1_16 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 87 140 - CE_GB1_10 N_GB1_17 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 141 - CE_GB1_10 OG1_GB1_17 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 87 145 - CE_GB1_10 C_GB1_17 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 147 + CE_GB1_10 N_GB1_17 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 141 + CE_GB1_10 OG1_GB1_17 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 87 145 + CE_GB1_10 C_GB1_17 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 147 CE_GB1_10 O_GB1_17 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 87 148 - CE_GB1_10 N_GB1_18 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 149 - CE_GB1_10 OG1_GB1_18 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 87 153 - CE_GB1_10 C_GB1_18 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 155 + CE_GB1_10 N_GB1_18 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 149 + CE_GB1_10 OG1_GB1_18 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 87 153 + CE_GB1_10 C_GB1_18 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 155 CE_GB1_10 O_GB1_18 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 87 156 - CE_GB1_10 N_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 157 - CE_GB1_10 CD_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 162 - CE_GB1_10 OE1_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 87 163 - CE_GB1_10 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 87 164 - CE_GB1_10 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 165 + CE_GB1_10 N_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 157 + CE_GB1_10 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 162 + CE_GB1_10 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 87 163 + CE_GB1_10 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 87 164 + CE_GB1_10 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 165 CE_GB1_10 O_GB1_19 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 87 166 - CE_GB1_10 N_GB1_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 167 - CE_GB1_10 C_GB1_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 171 + CE_GB1_10 N_GB1_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 167 + CE_GB1_10 C_GB1_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 171 CE_GB1_10 O_GB1_20 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 87 172 - CE_GB1_10 N_GB1_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 173 - CE_GB1_10 C_GB1_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 179 + CE_GB1_10 N_GB1_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 173 + CE_GB1_10 C_GB1_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 179 CE_GB1_10 O_GB1_21 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 87 180 - CE_GB1_10 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 181 - CE_GB1_10 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 185 - CE_GB1_10 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 87 186 - CE_GB1_10 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 87 187 - CE_GB1_10 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 188 + CE_GB1_10 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 181 + CE_GB1_10 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 185 + CE_GB1_10 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 87 186 + CE_GB1_10 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 87 187 + CE_GB1_10 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 188 CE_GB1_10 O_GB1_22 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 87 189 - CE_GB1_10 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 190 - CE_GB1_10 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 194 + CE_GB1_10 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 190 + CE_GB1_10 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 194 CE_GB1_10 O_GB1_23 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 87 195 - CE_GB1_10 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 196 - CE_GB1_10 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 200 + CE_GB1_10 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 196 + CE_GB1_10 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 200 CE_GB1_10 O_GB1_24 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 87 201 - CE_GB1_10 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 202 - CE_GB1_10 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 87 206 - CE_GB1_10 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 208 + CE_GB1_10 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 202 + CE_GB1_10 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 87 206 + CE_GB1_10 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 208 CE_GB1_10 O_GB1_25 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 87 209 - CE_GB1_10 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 210 - CE_GB1_10 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 214 + CE_GB1_10 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 210 + CE_GB1_10 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 214 CE_GB1_10 O_GB1_26 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 87 215 - CE_GB1_10 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 216 - CE_GB1_10 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 221 - CE_GB1_10 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 87 222 - CE_GB1_10 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 87 223 - CE_GB1_10 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 224 + CE_GB1_10 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 216 + CE_GB1_10 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 221 + CE_GB1_10 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 87 222 + CE_GB1_10 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 87 223 + CE_GB1_10 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 224 CE_GB1_10 O_GB1_27 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 87 225 - CE_GB1_10 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 226 - CE_GB1_10 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 233 - CE_GB1_10 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 234 + CE_GB1_10 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 226 + CE_GB1_10 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 233 + CE_GB1_10 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 234 CE_GB1_10 O_GB1_28 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 87 235 - CE_GB1_10 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 236 - CE_GB1_10 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 242 + CE_GB1_10 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 236 + CE_GB1_10 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 242 CE_GB1_10 O_GB1_29 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 87 243 - CE_GB1_10 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 244 - CE_GB1_10 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 254 + CE_GB1_10 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 244 + CE_GB1_10 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 254 CE_GB1_10 O_GB1_30 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 87 255 - CE_GB1_10 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 256 - CE_GB1_10 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 263 - CE_GB1_10 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 264 + CE_GB1_10 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 256 + CE_GB1_10 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 263 + CE_GB1_10 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 264 CE_GB1_10 O_GB1_31 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 87 265 - CE_GB1_10 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 266 - CE_GB1_10 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 271 + CE_GB1_10 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 266 + CE_GB1_10 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 271 CE_GB1_10 OE1_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 87 272 - CE_GB1_10 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 87 273 - CE_GB1_10 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 274 + CE_GB1_10 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 87 273 + CE_GB1_10 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 274 CE_GB1_10 O_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 87 275 - CE_GB1_10 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 276 - CE_GB1_10 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 87 286 - CE_GB1_10 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 287 + CE_GB1_10 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 276 + CE_GB1_10 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 87 286 + CE_GB1_10 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 287 CE_GB1_10 O_GB1_33 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 87 288 - CE_GB1_10 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 289 - CE_GB1_10 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 293 + CE_GB1_10 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 289 + CE_GB1_10 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 293 CE_GB1_10 O_GB1_34 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 87 294 - CE_GB1_10 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 295 - CE_GB1_10 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 299 + CE_GB1_10 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 295 + CE_GB1_10 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 299 CE_GB1_10 OD1_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 87 300 - CE_GB1_10 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 87 301 - CE_GB1_10 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 302 + CE_GB1_10 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 87 301 + CE_GB1_10 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 302 CE_GB1_10 O_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 87 303 - CE_GB1_10 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 304 - CE_GB1_10 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 308 - CE_GB1_10 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 87 309 - CE_GB1_10 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 87 310 - CE_GB1_10 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 311 + CE_GB1_10 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 304 + CE_GB1_10 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 308 + CE_GB1_10 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 87 309 + CE_GB1_10 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 87 310 + CE_GB1_10 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 311 CE_GB1_10 O_GB1_36 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 87 312 - CE_GB1_10 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 313 - CE_GB1_10 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 317 + CE_GB1_10 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 313 + CE_GB1_10 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 317 CE_GB1_10 OD1_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 87 318 - CE_GB1_10 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 87 319 - CE_GB1_10 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 320 + CE_GB1_10 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 87 319 + CE_GB1_10 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 320 CE_GB1_10 O_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 87 321 - CE_GB1_10 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 322 - CE_GB1_10 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 325 + CE_GB1_10 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 322 + CE_GB1_10 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 325 CE_GB1_10 O_GB1_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 87 326 - CE_GB1_10 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 327 - CE_GB1_10 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 333 + CE_GB1_10 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 327 + CE_GB1_10 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 333 CE_GB1_10 O_GB1_39 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 87 334 - CE_GB1_10 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 335 - CE_GB1_10 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 339 - CE_GB1_10 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 87 340 - CE_GB1_10 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 87 341 - CE_GB1_10 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 342 + CE_GB1_10 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 335 + CE_GB1_10 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 339 + CE_GB1_10 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 87 340 + CE_GB1_10 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 87 341 + CE_GB1_10 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 342 CE_GB1_10 O_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 87 343 - CE_GB1_10 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 344 - CE_GB1_10 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 347 + CE_GB1_10 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 344 + CE_GB1_10 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 347 CE_GB1_10 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 87 348 - CE_GB1_10 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 349 - CE_GB1_10 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 354 - CE_GB1_10 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 87 355 - CE_GB1_10 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 87 356 - CE_GB1_10 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 357 + CE_GB1_10 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 349 + CE_GB1_10 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 354 + CE_GB1_10 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 87 355 + CE_GB1_10 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 87 356 + CE_GB1_10 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 357 CE_GB1_10 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 87 358 - CE_GB1_10 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 359 - CE_GB1_10 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 87 366 - CE_GB1_10 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 372 + CE_GB1_10 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 359 + CE_GB1_10 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 87 366 + CE_GB1_10 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 372 CE_GB1_10 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 87 373 - CE_GB1_10 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 374 - CE_GB1_10 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 87 378 - CE_GB1_10 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 380 + CE_GB1_10 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 374 + CE_GB1_10 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 87 378 + CE_GB1_10 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 380 CE_GB1_10 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 87 381 - CE_GB1_10 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 382 - CE_GB1_10 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 87 392 - CE_GB1_10 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 393 + CE_GB1_10 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 382 + CE_GB1_10 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 87 392 + CE_GB1_10 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 393 CE_GB1_10 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 87 394 - CE_GB1_10 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 395 - CE_GB1_10 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 399 - CE_GB1_10 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 87 400 - CE_GB1_10 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 87 401 - CE_GB1_10 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 402 + CE_GB1_10 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 395 + CE_GB1_10 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 399 + CE_GB1_10 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 87 400 + CE_GB1_10 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 87 401 + CE_GB1_10 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 402 CE_GB1_10 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 87 403 - CE_GB1_10 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 404 - CE_GB1_10 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 408 - CE_GB1_10 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 87 409 - CE_GB1_10 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 87 410 - CE_GB1_10 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 411 + CE_GB1_10 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 404 + CE_GB1_10 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 408 + CE_GB1_10 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 87 409 + CE_GB1_10 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 87 410 + CE_GB1_10 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 411 CE_GB1_10 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 87 412 - CE_GB1_10 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 413 - CE_GB1_10 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 417 + CE_GB1_10 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 413 + CE_GB1_10 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 417 CE_GB1_10 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 87 418 - CE_GB1_10 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 419 - CE_GB1_10 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 87 423 - CE_GB1_10 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 425 + CE_GB1_10 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 419 + CE_GB1_10 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 87 423 + CE_GB1_10 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 425 CE_GB1_10 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 87 426 - CE_GB1_10 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 427 - CE_GB1_10 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 434 - CE_GB1_10 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 435 + CE_GB1_10 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 427 + CE_GB1_10 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 434 + CE_GB1_10 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 435 CE_GB1_10 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 87 436 - CE_GB1_10 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 437 - CE_GB1_10 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 87 441 - CE_GB1_10 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 443 + CE_GB1_10 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 437 + CE_GB1_10 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 87 441 + CE_GB1_10 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 443 CE_GB1_10 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 87 444 - CE_GB1_10 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 445 - CE_GB1_10 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 455 + CE_GB1_10 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 445 + CE_GB1_10 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 455 CE_GB1_10 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 87 456 - CE_GB1_10 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 457 - CE_GB1_10 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 87 461 - CE_GB1_10 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 463 + CE_GB1_10 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 457 + CE_GB1_10 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 87 461 + CE_GB1_10 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 463 CE_GB1_10 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 87 464 - CE_GB1_10 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 465 - CE_GB1_10 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 471 + CE_GB1_10 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 465 + CE_GB1_10 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 471 CE_GB1_10 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 87 472 - CE_GB1_10 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 473 - CE_GB1_10 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 87 477 - CE_GB1_10 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 479 + CE_GB1_10 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 473 + CE_GB1_10 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 87 477 + CE_GB1_10 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 479 CE_GB1_10 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 87 480 - CE_GB1_10 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 87 481 - CE_GB1_10 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 486 - CE_GB1_10 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 87 487 - CE_GB1_10 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 87 488 - CE_GB1_10 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 87 489 - CE_GB1_10 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 87 490 - CE_GB1_10 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 87 491 + CE_GB1_10 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 87 481 + CE_GB1_10 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 486 + CE_GB1_10 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 87 487 + CE_GB1_10 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 87 488 + CE_GB1_10 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 87 489 + CE_GB1_10 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 87 490 + CE_GB1_10 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 87 491 NZ_GB1_10 NZ_GB1_10 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.0 1.0 1.0 1.0 False mg 7 88 88 - NZ_GB1_10 CB_GB1_11 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 88 94 - NZ_GB1_10 CG2_GB1_11 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 88 96 - NZ_GB1_10 CB_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 88 102 - NZ_GB1_10 CG_GB1_12 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 88 103 - NZ_GB1_10 CD1_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 88 104 - NZ_GB1_10 CD2_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 88 105 - NZ_GB1_10 CB_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 88 111 - NZ_GB1_10 CG_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 88 112 - NZ_GB1_10 CD_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 88 113 - NZ_GB1_10 CE_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 88 114 + NZ_GB1_10 CB_GB1_11 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 88 94 + NZ_GB1_10 CG2_GB1_11 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 88 96 + NZ_GB1_10 CB_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 88 102 + NZ_GB1_10 CG_GB1_12 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 88 103 + NZ_GB1_10 CD1_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 88 104 + NZ_GB1_10 CD2_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 88 105 + NZ_GB1_10 CB_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 88 111 + NZ_GB1_10 CG_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 88 112 + NZ_GB1_10 CD_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 88 113 + NZ_GB1_10 CE_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 88 114 NZ_GB1_10 NZ_GB1_13 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.0 1.0 1.0 1.0 False mg 7 88 115 - NZ_GB1_10 CA_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 88 120 - NZ_GB1_10 CB_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 88 126 - NZ_GB1_10 CG_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 88 127 - NZ_GB1_10 CB_GB1_16 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 88 136 - NZ_GB1_10 CG2_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 88 138 - NZ_GB1_10 CB_GB1_17 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 88 144 - NZ_GB1_10 CG2_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 88 146 - NZ_GB1_10 CB_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 88 152 - NZ_GB1_10 CG2_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 88 154 - NZ_GB1_10 CB_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 88 160 - NZ_GB1_10 CG_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 88 161 - NZ_GB1_10 CB_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 88 170 - NZ_GB1_10 CB_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 88 176 - NZ_GB1_10 CG1_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 88 177 - NZ_GB1_10 CG2_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 88 178 - NZ_GB1_10 CB_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 88 184 - NZ_GB1_10 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 88 193 - NZ_GB1_10 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 88 199 - NZ_GB1_10 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 88 205 - NZ_GB1_10 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 88 207 - NZ_GB1_10 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 88 213 - NZ_GB1_10 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 88 219 - NZ_GB1_10 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 88 220 - NZ_GB1_10 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 88 229 - NZ_GB1_10 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 88 230 - NZ_GB1_10 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 88 231 - NZ_GB1_10 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 88 232 + NZ_GB1_10 CA_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 88 120 + NZ_GB1_10 CB_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 88 126 + NZ_GB1_10 CG_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 88 127 + NZ_GB1_10 CB_GB1_16 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 88 136 + NZ_GB1_10 CG2_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 88 138 + NZ_GB1_10 CB_GB1_17 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 88 144 + NZ_GB1_10 CG2_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 88 146 + NZ_GB1_10 CB_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 88 152 + NZ_GB1_10 CG2_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 88 154 + NZ_GB1_10 CB_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 88 160 + NZ_GB1_10 CG_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 88 161 + NZ_GB1_10 CB_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 88 170 + NZ_GB1_10 CB_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 88 176 + NZ_GB1_10 CG1_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 88 177 + NZ_GB1_10 CG2_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 88 178 + NZ_GB1_10 CB_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 88 184 + NZ_GB1_10 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 88 193 + NZ_GB1_10 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 88 199 + NZ_GB1_10 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 88 205 + NZ_GB1_10 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 88 207 + NZ_GB1_10 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 88 213 + NZ_GB1_10 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 88 219 + NZ_GB1_10 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 88 220 + NZ_GB1_10 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 88 229 + NZ_GB1_10 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 88 230 + NZ_GB1_10 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 88 231 + NZ_GB1_10 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 88 232 NZ_GB1_10 NZ_GB1_28 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.0 1.0 1.0 1.0 False mg 7 88 233 - NZ_GB1_10 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 88 239 - NZ_GB1_10 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 88 240 - NZ_GB1_10 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 88 241 - NZ_GB1_10 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 88 247 - NZ_GB1_10 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 88 259 - NZ_GB1_10 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 88 260 - NZ_GB1_10 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 88 261 - NZ_GB1_10 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 88 262 + NZ_GB1_10 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 88 239 + NZ_GB1_10 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 88 240 + NZ_GB1_10 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 88 241 + NZ_GB1_10 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 88 247 + NZ_GB1_10 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 88 259 + NZ_GB1_10 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 88 260 + NZ_GB1_10 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 88 261 + NZ_GB1_10 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 88 262 NZ_GB1_10 NZ_GB1_31 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.0 1.0 1.0 1.0 False mg 7 88 263 - NZ_GB1_10 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 88 269 - NZ_GB1_10 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 88 270 - NZ_GB1_10 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 88 279 - NZ_GB1_10 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 88 292 - NZ_GB1_10 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 88 298 - NZ_GB1_10 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 88 307 - NZ_GB1_10 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 88 316 - NZ_GB1_10 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 88 324 - NZ_GB1_10 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 88 330 - NZ_GB1_10 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 88 331 - NZ_GB1_10 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 88 332 - NZ_GB1_10 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 88 338 - NZ_GB1_10 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 88 346 - NZ_GB1_10 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 88 352 - NZ_GB1_10 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 88 353 - NZ_GB1_10 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 88 362 - NZ_GB1_10 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 88 377 - NZ_GB1_10 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 88 379 - NZ_GB1_10 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 88 385 - NZ_GB1_10 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 88 398 - NZ_GB1_10 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 88 407 - NZ_GB1_10 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 88 416 - NZ_GB1_10 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 88 422 - NZ_GB1_10 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 88 424 - NZ_GB1_10 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 88 430 - NZ_GB1_10 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 88 431 - NZ_GB1_10 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 88 432 - NZ_GB1_10 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 88 433 + NZ_GB1_10 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 88 269 + NZ_GB1_10 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 88 270 + NZ_GB1_10 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 88 279 + NZ_GB1_10 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 88 292 + NZ_GB1_10 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 88 298 + NZ_GB1_10 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 88 307 + NZ_GB1_10 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 88 316 + NZ_GB1_10 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 88 324 + NZ_GB1_10 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 88 330 + NZ_GB1_10 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 88 331 + NZ_GB1_10 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 88 332 + NZ_GB1_10 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 88 338 + NZ_GB1_10 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 88 346 + NZ_GB1_10 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 88 352 + NZ_GB1_10 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 88 353 + NZ_GB1_10 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 88 362 + NZ_GB1_10 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 88 377 + NZ_GB1_10 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 88 379 + NZ_GB1_10 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 88 385 + NZ_GB1_10 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 88 398 + NZ_GB1_10 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 88 407 + NZ_GB1_10 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 88 416 + NZ_GB1_10 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 88 422 + NZ_GB1_10 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 88 424 + NZ_GB1_10 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 88 430 + NZ_GB1_10 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 88 431 + NZ_GB1_10 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 88 432 + NZ_GB1_10 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 88 433 NZ_GB1_10 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.0 1.0 1.0 1.0 False mg 7 88 434 - NZ_GB1_10 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 88 440 - NZ_GB1_10 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 88 442 - NZ_GB1_10 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 88 448 - NZ_GB1_10 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 88 460 - NZ_GB1_10 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 88 462 - NZ_GB1_10 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 88 468 - NZ_GB1_10 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 88 469 - NZ_GB1_10 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 88 470 - NZ_GB1_10 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 88 476 - NZ_GB1_10 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 88 478 - NZ_GB1_10 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 88 484 - NZ_GB1_10 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 88 485 - C_GB1_10 CB_GB1_11 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 89 94 - C_GB1_10 CG2_GB1_11 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 89 96 - C_GB1_10 CB_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 89 102 - C_GB1_10 CG_GB1_12 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 89 103 - C_GB1_10 CD1_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 89 104 - C_GB1_10 CD2_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 89 105 - C_GB1_10 CB_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 89 111 - C_GB1_10 CG_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 89 112 - C_GB1_10 CD_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 89 113 - C_GB1_10 CE_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 89 114 - C_GB1_10 CA_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 89 120 - C_GB1_10 CB_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 89 126 - C_GB1_10 CG_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 89 127 - C_GB1_10 CB_GB1_16 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 89 136 - C_GB1_10 CG2_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 89 138 - C_GB1_10 CB_GB1_17 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 89 144 - C_GB1_10 CG2_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 89 146 - C_GB1_10 CB_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 89 152 - C_GB1_10 CG2_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 89 154 - C_GB1_10 CB_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 89 160 - C_GB1_10 CG_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 89 161 - C_GB1_10 CB_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 89 170 - C_GB1_10 CB_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 89 176 - C_GB1_10 CG1_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 89 177 - C_GB1_10 CG2_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 89 178 - C_GB1_10 CB_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 89 184 - C_GB1_10 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 89 193 - C_GB1_10 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 89 199 - C_GB1_10 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 89 205 - C_GB1_10 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 89 207 - C_GB1_10 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 89 213 - C_GB1_10 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 89 219 - C_GB1_10 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 89 220 - C_GB1_10 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 89 229 - C_GB1_10 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 89 230 - C_GB1_10 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 89 231 - C_GB1_10 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 89 232 - C_GB1_10 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 89 239 - C_GB1_10 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 89 240 - C_GB1_10 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 89 241 - C_GB1_10 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 89 247 - C_GB1_10 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 89 259 - C_GB1_10 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 89 260 - C_GB1_10 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 89 261 - C_GB1_10 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 89 262 - C_GB1_10 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 89 269 - C_GB1_10 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 89 270 - C_GB1_10 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 89 279 - C_GB1_10 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 89 292 - C_GB1_10 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 89 298 - C_GB1_10 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 89 307 - C_GB1_10 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 89 316 - C_GB1_10 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 89 324 - C_GB1_10 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 89 330 - C_GB1_10 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 89 331 - C_GB1_10 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 89 332 - C_GB1_10 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 89 338 - C_GB1_10 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 89 346 - C_GB1_10 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 89 352 - C_GB1_10 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 89 353 - C_GB1_10 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 89 362 - C_GB1_10 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 89 377 - C_GB1_10 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 89 379 - C_GB1_10 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 89 385 - C_GB1_10 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 89 398 - C_GB1_10 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 89 407 - C_GB1_10 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 89 416 - C_GB1_10 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 89 422 - C_GB1_10 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 89 424 - C_GB1_10 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 89 430 - C_GB1_10 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 89 431 - C_GB1_10 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 89 432 - C_GB1_10 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 89 433 - C_GB1_10 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 89 440 - C_GB1_10 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 89 442 - C_GB1_10 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 89 448 - C_GB1_10 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 89 460 - C_GB1_10 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 89 462 - C_GB1_10 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 89 468 - C_GB1_10 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 89 469 - C_GB1_10 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 89 470 - C_GB1_10 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 89 476 - C_GB1_10 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 89 478 - C_GB1_10 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 89 484 - C_GB1_10 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 89 485 + NZ_GB1_10 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 88 440 + NZ_GB1_10 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 88 442 + NZ_GB1_10 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 88 448 + NZ_GB1_10 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 88 460 + NZ_GB1_10 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 88 462 + NZ_GB1_10 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 88 468 + NZ_GB1_10 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 88 469 + NZ_GB1_10 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 88 470 + NZ_GB1_10 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 88 476 + NZ_GB1_10 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 88 478 + NZ_GB1_10 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 88 484 + NZ_GB1_10 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 88 485 + C_GB1_10 CB_GB1_11 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 89 94 + C_GB1_10 CG2_GB1_11 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 89 96 + C_GB1_10 CB_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 89 102 + C_GB1_10 CG_GB1_12 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 89 103 + C_GB1_10 CD1_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 89 104 + C_GB1_10 CD2_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 89 105 + C_GB1_10 CB_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 89 111 + C_GB1_10 CG_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 89 112 + C_GB1_10 CD_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 89 113 + C_GB1_10 CE_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 89 114 + C_GB1_10 CA_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 89 120 + C_GB1_10 CB_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 89 126 + C_GB1_10 CG_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 89 127 + C_GB1_10 CB_GB1_16 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 89 136 + C_GB1_10 CG2_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 89 138 + C_GB1_10 CB_GB1_17 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 89 144 + C_GB1_10 CG2_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 89 146 + C_GB1_10 CB_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 89 152 + C_GB1_10 CG2_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 89 154 + C_GB1_10 CB_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 89 160 + C_GB1_10 CG_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 89 161 + C_GB1_10 CB_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 89 170 + C_GB1_10 CB_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 89 176 + C_GB1_10 CG1_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 89 177 + C_GB1_10 CG2_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 89 178 + C_GB1_10 CB_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 89 184 + C_GB1_10 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 89 193 + C_GB1_10 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 89 199 + C_GB1_10 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 89 205 + C_GB1_10 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 89 207 + C_GB1_10 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 89 213 + C_GB1_10 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 89 219 + C_GB1_10 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 89 220 + C_GB1_10 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 89 229 + C_GB1_10 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 89 230 + C_GB1_10 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 89 231 + C_GB1_10 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 89 232 + C_GB1_10 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 89 239 + C_GB1_10 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 89 240 + C_GB1_10 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 89 241 + C_GB1_10 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 89 247 + C_GB1_10 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 89 259 + C_GB1_10 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 89 260 + C_GB1_10 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 89 261 + C_GB1_10 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 89 262 + C_GB1_10 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 89 269 + C_GB1_10 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 89 270 + C_GB1_10 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 89 279 + C_GB1_10 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 89 292 + C_GB1_10 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 89 298 + C_GB1_10 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 89 307 + C_GB1_10 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 89 316 + C_GB1_10 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 89 324 + C_GB1_10 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 89 330 + C_GB1_10 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 89 331 + C_GB1_10 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 89 332 + C_GB1_10 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 89 338 + C_GB1_10 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 89 346 + C_GB1_10 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 89 352 + C_GB1_10 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 89 353 + C_GB1_10 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 89 362 + C_GB1_10 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 89 377 + C_GB1_10 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 89 379 + C_GB1_10 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 89 385 + C_GB1_10 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 89 398 + C_GB1_10 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 89 407 + C_GB1_10 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 89 416 + C_GB1_10 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 89 422 + C_GB1_10 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 89 424 + C_GB1_10 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 89 430 + C_GB1_10 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 89 431 + C_GB1_10 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 89 432 + C_GB1_10 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 89 433 + C_GB1_10 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 89 440 + C_GB1_10 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 89 442 + C_GB1_10 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 89 448 + C_GB1_10 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 89 460 + C_GB1_10 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 89 462 + C_GB1_10 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 89 468 + C_GB1_10 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 89 469 + C_GB1_10 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 89 470 + C_GB1_10 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 89 476 + C_GB1_10 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 89 478 + C_GB1_10 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 89 484 + C_GB1_10 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 89 485 O_GB1_10 O_GB1_10 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 90 90 O_GB1_10 H_GB1_11 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 90 92 O_GB1_10 CB_GB1_11 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 90 94 @@ -13020,91 +13020,91 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573658e-04 5.159165e-08 O_GB1_10 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 90 488 O_GB1_10 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 90 490 O_GB1_10 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 90 491 - N_GB1_11 CB_GB1_11 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 91 94 - N_GB1_11 CG2_GB1_11 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 91 96 - N_GB1_11 CB_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 91 102 - N_GB1_11 CG_GB1_12 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 91 103 - N_GB1_11 CD1_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 91 104 - N_GB1_11 CD2_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 91 105 - N_GB1_11 CB_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 91 111 - N_GB1_11 CG_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 91 112 - N_GB1_11 CD_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 91 113 - N_GB1_11 CE_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 91 114 - N_GB1_11 CA_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 91 120 - N_GB1_11 CB_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 91 126 - N_GB1_11 CG_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 91 127 - N_GB1_11 CB_GB1_16 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 91 136 - N_GB1_11 CG2_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 91 138 - N_GB1_11 CB_GB1_17 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 91 144 - N_GB1_11 CG2_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 91 146 - N_GB1_11 CB_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 91 152 - N_GB1_11 CG2_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 91 154 - N_GB1_11 CB_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 91 160 - N_GB1_11 CG_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 91 161 - N_GB1_11 CB_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 91 170 - N_GB1_11 CB_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 91 176 - N_GB1_11 CG1_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 91 177 - N_GB1_11 CG2_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 91 178 - N_GB1_11 CB_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 91 184 - N_GB1_11 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 91 193 - N_GB1_11 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 91 199 - N_GB1_11 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 91 205 - N_GB1_11 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 91 207 - N_GB1_11 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 91 213 - N_GB1_11 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 91 219 - N_GB1_11 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 91 220 - N_GB1_11 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 91 229 - N_GB1_11 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 91 230 - N_GB1_11 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 91 231 - N_GB1_11 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 91 232 - N_GB1_11 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 91 239 - N_GB1_11 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 91 240 - N_GB1_11 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 91 241 - N_GB1_11 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 91 247 - N_GB1_11 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 91 259 - N_GB1_11 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 91 260 - N_GB1_11 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 91 261 - N_GB1_11 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 91 262 - N_GB1_11 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 91 269 - N_GB1_11 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 91 270 - N_GB1_11 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 91 279 - N_GB1_11 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 91 292 - N_GB1_11 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 91 298 - N_GB1_11 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 91 307 - N_GB1_11 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 91 316 - N_GB1_11 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 91 324 - N_GB1_11 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 91 330 - N_GB1_11 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 91 331 - N_GB1_11 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 91 332 - N_GB1_11 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 91 338 - N_GB1_11 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 91 346 - N_GB1_11 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 91 352 - N_GB1_11 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 91 353 - N_GB1_11 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 91 362 - N_GB1_11 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 91 377 - N_GB1_11 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 91 379 - N_GB1_11 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 91 385 - N_GB1_11 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 91 398 - N_GB1_11 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 91 407 - N_GB1_11 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 91 416 - N_GB1_11 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 91 422 - N_GB1_11 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 91 424 - N_GB1_11 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 91 430 - N_GB1_11 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 91 431 - N_GB1_11 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 91 432 - N_GB1_11 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 91 433 - N_GB1_11 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 91 440 - N_GB1_11 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 91 442 - N_GB1_11 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 91 448 - N_GB1_11 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 91 460 - N_GB1_11 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 91 462 - N_GB1_11 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 91 468 - N_GB1_11 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 91 469 - N_GB1_11 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 91 470 - N_GB1_11 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 91 476 - N_GB1_11 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 91 478 - N_GB1_11 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 91 484 - N_GB1_11 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 91 485 + N_GB1_11 CB_GB1_11 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 91 94 + N_GB1_11 CG2_GB1_11 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 91 96 + N_GB1_11 CB_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 91 102 + N_GB1_11 CG_GB1_12 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 91 103 + N_GB1_11 CD1_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 91 104 + N_GB1_11 CD2_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 91 105 + N_GB1_11 CB_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 91 111 + N_GB1_11 CG_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 91 112 + N_GB1_11 CD_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 91 113 + N_GB1_11 CE_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 91 114 + N_GB1_11 CA_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 91 120 + N_GB1_11 CB_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 91 126 + N_GB1_11 CG_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 91 127 + N_GB1_11 CB_GB1_16 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 91 136 + N_GB1_11 CG2_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 91 138 + N_GB1_11 CB_GB1_17 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 91 144 + N_GB1_11 CG2_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 91 146 + N_GB1_11 CB_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 91 152 + N_GB1_11 CG2_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 91 154 + N_GB1_11 CB_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 91 160 + N_GB1_11 CG_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 91 161 + N_GB1_11 CB_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 91 170 + N_GB1_11 CB_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 91 176 + N_GB1_11 CG1_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 91 177 + N_GB1_11 CG2_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 91 178 + N_GB1_11 CB_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 91 184 + N_GB1_11 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 91 193 + N_GB1_11 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 91 199 + N_GB1_11 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 91 205 + N_GB1_11 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 91 207 + N_GB1_11 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 91 213 + N_GB1_11 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 91 219 + N_GB1_11 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 91 220 + N_GB1_11 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 91 229 + N_GB1_11 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 91 230 + N_GB1_11 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 91 231 + N_GB1_11 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 91 232 + N_GB1_11 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 91 239 + N_GB1_11 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 91 240 + N_GB1_11 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 91 241 + N_GB1_11 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 91 247 + N_GB1_11 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 91 259 + N_GB1_11 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 91 260 + N_GB1_11 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 91 261 + N_GB1_11 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 91 262 + N_GB1_11 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 91 269 + N_GB1_11 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 91 270 + N_GB1_11 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 91 279 + N_GB1_11 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 91 292 + N_GB1_11 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 91 298 + N_GB1_11 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 91 307 + N_GB1_11 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 91 316 + N_GB1_11 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 91 324 + N_GB1_11 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 91 330 + N_GB1_11 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 91 331 + N_GB1_11 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 91 332 + N_GB1_11 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 91 338 + N_GB1_11 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 91 346 + N_GB1_11 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 91 352 + N_GB1_11 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 91 353 + N_GB1_11 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 91 362 + N_GB1_11 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 91 377 + N_GB1_11 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 91 379 + N_GB1_11 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 91 385 + N_GB1_11 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 91 398 + N_GB1_11 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 91 407 + N_GB1_11 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 91 416 + N_GB1_11 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 91 422 + N_GB1_11 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 91 424 + N_GB1_11 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 91 430 + N_GB1_11 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 91 431 + N_GB1_11 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 91 432 + N_GB1_11 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 91 433 + N_GB1_11 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 91 440 + N_GB1_11 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 91 442 + N_GB1_11 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 91 448 + N_GB1_11 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 91 460 + N_GB1_11 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 91 462 + N_GB1_11 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 91 468 + N_GB1_11 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 91 469 + N_GB1_11 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 91 470 + N_GB1_11 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 91 476 + N_GB1_11 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 91 478 + N_GB1_11 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 91 484 + N_GB1_11 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 91 485 H_GB1_11 H_GB1_11 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 92 92 H_GB1_11 OG1_GB1_11 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 92 95 H_GB1_11 O_GB1_11 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 92 98 @@ -13233,605 +13233,605 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573658e-04 5.159165e-08 H_GB1_11 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 92 488 H_GB1_11 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 92 490 H_GB1_11 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 92 491 - CB_GB1_11 OG1_GB1_11 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 94 95 - CB_GB1_11 C_GB1_11 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 97 + CB_GB1_11 OG1_GB1_11 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 94 95 + CB_GB1_11 C_GB1_11 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 97 CB_GB1_11 O_GB1_11 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 94 98 - CB_GB1_11 N_GB1_12 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 94 99 - CB_GB1_11 C_GB1_12 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 106 + CB_GB1_11 N_GB1_12 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 94 99 + CB_GB1_11 C_GB1_12 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 106 CB_GB1_11 O_GB1_12 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 94 107 - CB_GB1_11 N_GB1_13 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 94 108 - CB_GB1_11 NZ_GB1_13 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 94 115 - CB_GB1_11 C_GB1_13 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 116 + CB_GB1_11 N_GB1_13 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 94 108 + CB_GB1_11 NZ_GB1_13 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 94 115 + CB_GB1_11 C_GB1_13 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 116 CB_GB1_11 O_GB1_13 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 94 117 - CB_GB1_11 N_GB1_14 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 94 118 - CB_GB1_11 C_GB1_14 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 121 + CB_GB1_11 N_GB1_14 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 94 118 + CB_GB1_11 C_GB1_14 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 121 CB_GB1_11 O_GB1_14 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 94 122 - CB_GB1_11 N_GB1_15 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 94 123 - CB_GB1_11 CD_GB1_15 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 128 - CB_GB1_11 OE1_GB1_15 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 94 129 - CB_GB1_11 OE2_GB1_15 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 94 130 - CB_GB1_11 C_GB1_15 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 131 + CB_GB1_11 N_GB1_15 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 94 123 + CB_GB1_11 CD_GB1_15 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 128 + CB_GB1_11 OE1_GB1_15 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 94 129 + CB_GB1_11 OE2_GB1_15 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 94 130 + CB_GB1_11 C_GB1_15 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 131 CB_GB1_11 O_GB1_15 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 94 132 - CB_GB1_11 N_GB1_16 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 94 133 - CB_GB1_11 OG1_GB1_16 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 94 137 - CB_GB1_11 C_GB1_16 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 139 + CB_GB1_11 N_GB1_16 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 94 133 + CB_GB1_11 OG1_GB1_16 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 94 137 + CB_GB1_11 C_GB1_16 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 139 CB_GB1_11 O_GB1_16 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 94 140 - CB_GB1_11 N_GB1_17 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 94 141 - CB_GB1_11 OG1_GB1_17 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 94 145 - CB_GB1_11 C_GB1_17 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 147 + CB_GB1_11 N_GB1_17 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 94 141 + CB_GB1_11 OG1_GB1_17 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 94 145 + CB_GB1_11 C_GB1_17 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 147 CB_GB1_11 O_GB1_17 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 94 148 - CB_GB1_11 N_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 94 149 - CB_GB1_11 OG1_GB1_18 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 94 153 - CB_GB1_11 C_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 155 + CB_GB1_11 N_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 94 149 + CB_GB1_11 OG1_GB1_18 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 94 153 + CB_GB1_11 C_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 155 CB_GB1_11 O_GB1_18 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 94 156 - CB_GB1_11 N_GB1_19 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 94 157 - CB_GB1_11 CD_GB1_19 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 162 - CB_GB1_11 OE1_GB1_19 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 94 163 - CB_GB1_11 OE2_GB1_19 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 94 164 - CB_GB1_11 C_GB1_19 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 165 + CB_GB1_11 N_GB1_19 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 94 157 + CB_GB1_11 CD_GB1_19 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 162 + CB_GB1_11 OE1_GB1_19 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 94 163 + CB_GB1_11 OE2_GB1_19 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 94 164 + CB_GB1_11 C_GB1_19 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 165 CB_GB1_11 O_GB1_19 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 94 166 - CB_GB1_11 N_GB1_20 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 94 167 - CB_GB1_11 C_GB1_20 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 171 + CB_GB1_11 N_GB1_20 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 94 167 + CB_GB1_11 C_GB1_20 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 171 CB_GB1_11 O_GB1_20 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 94 172 - CB_GB1_11 N_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 94 173 - CB_GB1_11 C_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 179 + CB_GB1_11 N_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 94 173 + CB_GB1_11 C_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 179 CB_GB1_11 O_GB1_21 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 94 180 - CB_GB1_11 N_GB1_22 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 94 181 - CB_GB1_11 CG_GB1_22 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 185 - CB_GB1_11 OD1_GB1_22 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 94 186 - CB_GB1_11 OD2_GB1_22 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 94 187 - CB_GB1_11 C_GB1_22 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 188 + CB_GB1_11 N_GB1_22 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 94 181 + CB_GB1_11 CG_GB1_22 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 185 + CB_GB1_11 OD1_GB1_22 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 94 186 + CB_GB1_11 OD2_GB1_22 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 94 187 + CB_GB1_11 C_GB1_22 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 188 CB_GB1_11 O_GB1_22 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 94 189 - CB_GB1_11 N_GB1_23 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 94 190 - CB_GB1_11 C_GB1_23 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 194 + CB_GB1_11 N_GB1_23 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 94 190 + CB_GB1_11 C_GB1_23 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 194 CB_GB1_11 O_GB1_23 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 94 195 - CB_GB1_11 N_GB1_24 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 94 196 - CB_GB1_11 C_GB1_24 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 200 + CB_GB1_11 N_GB1_24 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 94 196 + CB_GB1_11 C_GB1_24 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 200 CB_GB1_11 O_GB1_24 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 94 201 - CB_GB1_11 N_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 94 202 - CB_GB1_11 OG1_GB1_25 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 94 206 - CB_GB1_11 C_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 208 + CB_GB1_11 N_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 94 202 + CB_GB1_11 OG1_GB1_25 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 94 206 + CB_GB1_11 C_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 208 CB_GB1_11 O_GB1_25 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 94 209 - CB_GB1_11 N_GB1_26 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 94 210 - CB_GB1_11 C_GB1_26 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 214 + CB_GB1_11 N_GB1_26 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 94 210 + CB_GB1_11 C_GB1_26 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 214 CB_GB1_11 O_GB1_26 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 94 215 - CB_GB1_11 N_GB1_27 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 94 216 - CB_GB1_11 CD_GB1_27 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 221 - CB_GB1_11 OE1_GB1_27 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 94 222 - CB_GB1_11 OE2_GB1_27 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 94 223 - CB_GB1_11 C_GB1_27 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 224 + CB_GB1_11 N_GB1_27 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 94 216 + CB_GB1_11 CD_GB1_27 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 221 + CB_GB1_11 OE1_GB1_27 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 94 222 + CB_GB1_11 OE2_GB1_27 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 94 223 + CB_GB1_11 C_GB1_27 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 224 CB_GB1_11 O_GB1_27 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 94 225 - CB_GB1_11 N_GB1_28 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 94 226 - CB_GB1_11 NZ_GB1_28 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 94 233 - CB_GB1_11 C_GB1_28 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 234 + CB_GB1_11 N_GB1_28 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 94 226 + CB_GB1_11 NZ_GB1_28 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 94 233 + CB_GB1_11 C_GB1_28 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 234 CB_GB1_11 O_GB1_28 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 94 235 - CB_GB1_11 N_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 94 236 - CB_GB1_11 C_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 242 + CB_GB1_11 N_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 94 236 + CB_GB1_11 C_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 242 CB_GB1_11 O_GB1_29 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 94 243 - CB_GB1_11 N_GB1_30 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 94 244 - CB_GB1_11 C_GB1_30 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 254 + CB_GB1_11 N_GB1_30 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 94 244 + CB_GB1_11 C_GB1_30 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 254 CB_GB1_11 O_GB1_30 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 94 255 - CB_GB1_11 N_GB1_31 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 94 256 - CB_GB1_11 NZ_GB1_31 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 94 263 - CB_GB1_11 C_GB1_31 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 264 + CB_GB1_11 N_GB1_31 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 94 256 + CB_GB1_11 NZ_GB1_31 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 94 263 + CB_GB1_11 C_GB1_31 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 264 CB_GB1_11 O_GB1_31 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 94 265 - CB_GB1_11 N_GB1_32 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 94 266 - CB_GB1_11 CD_GB1_32 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 271 + CB_GB1_11 N_GB1_32 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 94 266 + CB_GB1_11 CD_GB1_32 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 271 CB_GB1_11 OE1_GB1_32 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 94 272 - CB_GB1_11 NE2_GB1_32 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 94 273 - CB_GB1_11 C_GB1_32 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 274 + CB_GB1_11 NE2_GB1_32 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 94 273 + CB_GB1_11 C_GB1_32 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 274 CB_GB1_11 O_GB1_32 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 94 275 - CB_GB1_11 N_GB1_33 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 94 276 - CB_GB1_11 OH_GB1_33 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 94 286 - CB_GB1_11 C_GB1_33 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 287 + CB_GB1_11 N_GB1_33 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 94 276 + CB_GB1_11 OH_GB1_33 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 94 286 + CB_GB1_11 C_GB1_33 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 287 CB_GB1_11 O_GB1_33 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 94 288 - CB_GB1_11 N_GB1_34 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 94 289 - CB_GB1_11 C_GB1_34 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 293 + CB_GB1_11 N_GB1_34 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 94 289 + CB_GB1_11 C_GB1_34 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 293 CB_GB1_11 O_GB1_34 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 94 294 - CB_GB1_11 N_GB1_35 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 94 295 - CB_GB1_11 CG_GB1_35 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 299 + CB_GB1_11 N_GB1_35 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 94 295 + CB_GB1_11 CG_GB1_35 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 299 CB_GB1_11 OD1_GB1_35 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 94 300 - CB_GB1_11 ND2_GB1_35 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 94 301 - CB_GB1_11 C_GB1_35 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 302 + CB_GB1_11 ND2_GB1_35 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 94 301 + CB_GB1_11 C_GB1_35 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 302 CB_GB1_11 O_GB1_35 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 94 303 - CB_GB1_11 N_GB1_36 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 94 304 - CB_GB1_11 CG_GB1_36 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 308 - CB_GB1_11 OD1_GB1_36 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 94 309 - CB_GB1_11 OD2_GB1_36 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 94 310 - CB_GB1_11 C_GB1_36 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 311 + CB_GB1_11 N_GB1_36 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 94 304 + CB_GB1_11 CG_GB1_36 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 308 + CB_GB1_11 OD1_GB1_36 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 94 309 + CB_GB1_11 OD2_GB1_36 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 94 310 + CB_GB1_11 C_GB1_36 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 311 CB_GB1_11 O_GB1_36 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 94 312 - CB_GB1_11 N_GB1_37 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 94 313 - CB_GB1_11 CG_GB1_37 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 317 + CB_GB1_11 N_GB1_37 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 94 313 + CB_GB1_11 CG_GB1_37 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 317 CB_GB1_11 OD1_GB1_37 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 94 318 - CB_GB1_11 ND2_GB1_37 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 94 319 - CB_GB1_11 C_GB1_37 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 320 + CB_GB1_11 ND2_GB1_37 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 94 319 + CB_GB1_11 C_GB1_37 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 320 CB_GB1_11 O_GB1_37 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 94 321 - CB_GB1_11 N_GB1_38 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 94 322 - CB_GB1_11 C_GB1_38 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 325 + CB_GB1_11 N_GB1_38 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 94 322 + CB_GB1_11 C_GB1_38 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 325 CB_GB1_11 O_GB1_38 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 94 326 - CB_GB1_11 N_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 94 327 - CB_GB1_11 C_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 333 + CB_GB1_11 N_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 94 327 + CB_GB1_11 C_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 333 CB_GB1_11 O_GB1_39 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 94 334 - CB_GB1_11 N_GB1_40 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 94 335 - CB_GB1_11 CG_GB1_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 339 - CB_GB1_11 OD1_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 94 340 - CB_GB1_11 OD2_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 94 341 - CB_GB1_11 C_GB1_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 342 + CB_GB1_11 N_GB1_40 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 94 335 + CB_GB1_11 CG_GB1_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 339 + CB_GB1_11 OD1_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 94 340 + CB_GB1_11 OD2_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 94 341 + CB_GB1_11 C_GB1_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 342 CB_GB1_11 O_GB1_40 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 94 343 - CB_GB1_11 N_GB1_41 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 94 344 - CB_GB1_11 C_GB1_41 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 347 + CB_GB1_11 N_GB1_41 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 94 344 + CB_GB1_11 C_GB1_41 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 347 CB_GB1_11 O_GB1_41 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 94 348 - CB_GB1_11 N_GB1_42 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 94 349 - CB_GB1_11 CD_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 354 - CB_GB1_11 OE1_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 94 355 - CB_GB1_11 OE2_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 94 356 - CB_GB1_11 C_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 357 + CB_GB1_11 N_GB1_42 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 94 349 + CB_GB1_11 CD_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 354 + CB_GB1_11 OE1_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 94 355 + CB_GB1_11 OE2_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 94 356 + CB_GB1_11 C_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 357 CB_GB1_11 O_GB1_42 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 94 358 - CB_GB1_11 N_GB1_43 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 94 359 - CB_GB1_11 NE1_GB1_43 1 0.000000e+00 9.937288e-06 ; 8.853117e-06 -9.937288e-06 1.0 1.0 1.0 1.0 False mg 7 94 366 - CB_GB1_11 C_GB1_43 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 372 + CB_GB1_11 N_GB1_43 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 94 359 + CB_GB1_11 NE1_GB1_43 1 0.000000e+00 9.937231e-06 ; 8.853066e-06 -9.937231e-06 1.0 1.0 1.0 1.0 False mg 7 94 366 + CB_GB1_11 C_GB1_43 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 372 CB_GB1_11 O_GB1_43 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 94 373 - CB_GB1_11 N_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 94 374 - CB_GB1_11 OG1_GB1_44 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 94 378 - CB_GB1_11 C_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 380 + CB_GB1_11 N_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 94 374 + CB_GB1_11 OG1_GB1_44 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 94 378 + CB_GB1_11 C_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 380 CB_GB1_11 O_GB1_44 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 94 381 - CB_GB1_11 N_GB1_45 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 94 382 - CB_GB1_11 OH_GB1_45 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 94 392 - CB_GB1_11 C_GB1_45 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 393 + CB_GB1_11 N_GB1_45 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 94 382 + CB_GB1_11 OH_GB1_45 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 94 392 + CB_GB1_11 C_GB1_45 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 393 CB_GB1_11 O_GB1_45 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 94 394 - CB_GB1_11 N_GB1_46 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 94 395 - CB_GB1_11 CG_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 399 - CB_GB1_11 OD1_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 94 400 - CB_GB1_11 OD2_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 94 401 - CB_GB1_11 C_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 402 + CB_GB1_11 N_GB1_46 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 94 395 + CB_GB1_11 CG_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 399 + CB_GB1_11 OD1_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 94 400 + CB_GB1_11 OD2_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 94 401 + CB_GB1_11 C_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 402 CB_GB1_11 O_GB1_46 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 94 403 - CB_GB1_11 N_GB1_47 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 94 404 - CB_GB1_11 CG_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 408 - CB_GB1_11 OD1_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 94 409 - CB_GB1_11 OD2_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 94 410 - CB_GB1_11 C_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 411 + CB_GB1_11 N_GB1_47 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 94 404 + CB_GB1_11 CG_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 408 + CB_GB1_11 OD1_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 94 409 + CB_GB1_11 OD2_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 94 410 + CB_GB1_11 C_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 411 CB_GB1_11 O_GB1_47 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 94 412 - CB_GB1_11 N_GB1_48 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 94 413 - CB_GB1_11 C_GB1_48 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 417 + CB_GB1_11 N_GB1_48 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 94 413 + CB_GB1_11 C_GB1_48 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 417 CB_GB1_11 O_GB1_48 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 94 418 - CB_GB1_11 N_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 94 419 - CB_GB1_11 OG1_GB1_49 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 94 423 - CB_GB1_11 C_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 425 + CB_GB1_11 N_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 94 419 + CB_GB1_11 OG1_GB1_49 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 94 423 + CB_GB1_11 C_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 425 CB_GB1_11 O_GB1_49 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 94 426 - CB_GB1_11 N_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 94 427 - CB_GB1_11 NZ_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 94 434 - CB_GB1_11 C_GB1_50 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 435 + CB_GB1_11 N_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 94 427 + CB_GB1_11 NZ_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 94 434 + CB_GB1_11 C_GB1_50 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 435 CB_GB1_11 O_GB1_50 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 94 436 - CB_GB1_11 N_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 94 437 - CB_GB1_11 OG1_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 94 441 - CB_GB1_11 C_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 443 + CB_GB1_11 N_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 94 437 + CB_GB1_11 OG1_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 94 441 + CB_GB1_11 C_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 443 CB_GB1_11 O_GB1_51 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 94 444 - CB_GB1_11 N_GB1_52 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 94 445 - CB_GB1_11 C_GB1_52 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 455 + CB_GB1_11 N_GB1_52 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 94 445 + CB_GB1_11 C_GB1_52 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 455 CB_GB1_11 O_GB1_52 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 94 456 - CB_GB1_11 N_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 94 457 - CB_GB1_11 OG1_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 94 461 - CB_GB1_11 C_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 463 + CB_GB1_11 N_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 94 457 + CB_GB1_11 OG1_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 94 461 + CB_GB1_11 C_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 463 CB_GB1_11 O_GB1_53 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 94 464 - CB_GB1_11 N_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 94 465 - CB_GB1_11 C_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 471 + CB_GB1_11 N_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 94 465 + CB_GB1_11 C_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 471 CB_GB1_11 O_GB1_54 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 94 472 - CB_GB1_11 N_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 94 473 - CB_GB1_11 OG1_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 94 477 - CB_GB1_11 C_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 479 + CB_GB1_11 N_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 94 473 + CB_GB1_11 OG1_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 94 477 + CB_GB1_11 C_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 479 CB_GB1_11 O_GB1_55 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 94 480 - CB_GB1_11 N_GB1_56 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 94 481 - CB_GB1_11 CD_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 486 - CB_GB1_11 OE1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 94 487 - CB_GB1_11 OE2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 94 488 - CB_GB1_11 C_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 94 489 - CB_GB1_11 O1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 94 490 - CB_GB1_11 O2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 94 491 -OG1_GB1_11 CG2_GB1_11 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 95 96 + CB_GB1_11 N_GB1_56 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 94 481 + CB_GB1_11 CD_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 486 + CB_GB1_11 OE1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 94 487 + CB_GB1_11 OE2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 94 488 + CB_GB1_11 C_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 94 489 + CB_GB1_11 O1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 94 490 + CB_GB1_11 O2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 94 491 +OG1_GB1_11 CG2_GB1_11 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 95 96 OG1_GB1_11 H_GB1_12 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 95 100 -OG1_GB1_11 CB_GB1_12 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 95 102 -OG1_GB1_11 CG_GB1_12 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 95 103 -OG1_GB1_11 CD1_GB1_12 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 95 104 -OG1_GB1_11 CD2_GB1_12 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 95 105 +OG1_GB1_11 CB_GB1_12 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 95 102 +OG1_GB1_11 CG_GB1_12 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 95 103 +OG1_GB1_11 CD1_GB1_12 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 95 104 +OG1_GB1_11 CD2_GB1_12 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 95 105 OG1_GB1_11 H_GB1_13 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 95 109 -OG1_GB1_11 CB_GB1_13 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 95 111 -OG1_GB1_11 CG_GB1_13 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 95 112 -OG1_GB1_11 CD_GB1_13 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 95 113 -OG1_GB1_11 CE_GB1_13 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 95 114 +OG1_GB1_11 CB_GB1_13 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 95 111 +OG1_GB1_11 CG_GB1_13 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 95 112 +OG1_GB1_11 CD_GB1_13 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 95 113 +OG1_GB1_11 CE_GB1_13 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 95 114 OG1_GB1_11 H_GB1_14 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 95 119 -OG1_GB1_11 CA_GB1_14 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 95 120 +OG1_GB1_11 CA_GB1_14 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 95 120 OG1_GB1_11 H_GB1_15 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 95 124 -OG1_GB1_11 CB_GB1_15 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 95 126 -OG1_GB1_11 CG_GB1_15 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 95 127 +OG1_GB1_11 CB_GB1_15 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 95 126 +OG1_GB1_11 CG_GB1_15 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 95 127 OG1_GB1_11 H_GB1_16 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 95 134 -OG1_GB1_11 CB_GB1_16 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 95 136 -OG1_GB1_11 CG2_GB1_16 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 95 138 +OG1_GB1_11 CB_GB1_16 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 95 136 +OG1_GB1_11 CG2_GB1_16 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 95 138 OG1_GB1_11 H_GB1_17 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 95 142 -OG1_GB1_11 CB_GB1_17 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 95 144 -OG1_GB1_11 CG2_GB1_17 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 95 146 +OG1_GB1_11 CB_GB1_17 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 95 144 +OG1_GB1_11 CG2_GB1_17 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 95 146 OG1_GB1_11 H_GB1_18 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 95 150 -OG1_GB1_11 CB_GB1_18 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 95 152 -OG1_GB1_11 CG2_GB1_18 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 95 154 +OG1_GB1_11 CB_GB1_18 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 95 152 +OG1_GB1_11 CG2_GB1_18 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 95 154 OG1_GB1_11 H_GB1_19 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 95 158 -OG1_GB1_11 CB_GB1_19 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 95 160 -OG1_GB1_11 CG_GB1_19 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 95 161 +OG1_GB1_11 CB_GB1_19 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 95 160 +OG1_GB1_11 CG_GB1_19 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 95 161 OG1_GB1_11 H_GB1_20 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 95 168 -OG1_GB1_11 CB_GB1_20 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 95 170 +OG1_GB1_11 CB_GB1_20 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 95 170 OG1_GB1_11 H_GB1_21 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 95 174 -OG1_GB1_11 CB_GB1_21 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 95 176 -OG1_GB1_11 CG1_GB1_21 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 95 177 -OG1_GB1_11 CG2_GB1_21 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 95 178 +OG1_GB1_11 CB_GB1_21 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 95 176 +OG1_GB1_11 CG1_GB1_21 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 95 177 +OG1_GB1_11 CG2_GB1_21 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 95 178 OG1_GB1_11 H_GB1_22 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 95 182 -OG1_GB1_11 CB_GB1_22 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 95 184 +OG1_GB1_11 CB_GB1_22 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 95 184 OG1_GB1_11 H_GB1_23 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 95 191 -OG1_GB1_11 CB_GB1_23 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 95 193 +OG1_GB1_11 CB_GB1_23 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 95 193 OG1_GB1_11 H_GB1_24 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 95 197 -OG1_GB1_11 CB_GB1_24 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 95 199 +OG1_GB1_11 CB_GB1_24 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 95 199 OG1_GB1_11 H_GB1_25 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 95 203 -OG1_GB1_11 CB_GB1_25 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 95 205 -OG1_GB1_11 CG2_GB1_25 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 95 207 +OG1_GB1_11 CB_GB1_25 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 95 205 +OG1_GB1_11 CG2_GB1_25 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 95 207 OG1_GB1_11 H_GB1_26 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 95 211 -OG1_GB1_11 CB_GB1_26 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 95 213 +OG1_GB1_11 CB_GB1_26 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 95 213 OG1_GB1_11 H_GB1_27 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 95 217 -OG1_GB1_11 CB_GB1_27 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 95 219 -OG1_GB1_11 CG_GB1_27 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 95 220 +OG1_GB1_11 CB_GB1_27 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 95 219 +OG1_GB1_11 CG_GB1_27 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 95 220 OG1_GB1_11 H_GB1_28 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 95 227 -OG1_GB1_11 CB_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 95 229 -OG1_GB1_11 CG_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 95 230 -OG1_GB1_11 CD_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 95 231 -OG1_GB1_11 CE_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 95 232 +OG1_GB1_11 CB_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 95 229 +OG1_GB1_11 CG_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 95 230 +OG1_GB1_11 CD_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 95 231 +OG1_GB1_11 CE_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 95 232 OG1_GB1_11 H_GB1_29 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 95 237 -OG1_GB1_11 CB_GB1_29 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 95 239 -OG1_GB1_11 CG1_GB1_29 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 95 240 -OG1_GB1_11 CG2_GB1_29 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 95 241 +OG1_GB1_11 CB_GB1_29 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 95 239 +OG1_GB1_11 CG1_GB1_29 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 95 240 +OG1_GB1_11 CG2_GB1_29 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 95 241 OG1_GB1_11 H_GB1_30 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 95 245 -OG1_GB1_11 CB_GB1_30 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 95 247 +OG1_GB1_11 CB_GB1_30 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 95 247 OG1_GB1_11 H_GB1_31 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 95 257 -OG1_GB1_11 CB_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 95 259 -OG1_GB1_11 CG_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 95 260 -OG1_GB1_11 CD_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 95 261 -OG1_GB1_11 CE_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 95 262 +OG1_GB1_11 CB_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 95 259 +OG1_GB1_11 CG_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 95 260 +OG1_GB1_11 CD_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 95 261 +OG1_GB1_11 CE_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 95 262 OG1_GB1_11 H_GB1_32 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 95 267 -OG1_GB1_11 CB_GB1_32 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 95 269 -OG1_GB1_11 CG_GB1_32 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 95 270 +OG1_GB1_11 CB_GB1_32 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 95 269 +OG1_GB1_11 CG_GB1_32 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 95 270 OG1_GB1_11 H_GB1_33 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 95 277 -OG1_GB1_11 CB_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 95 279 +OG1_GB1_11 CB_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 95 279 OG1_GB1_11 H_GB1_34 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 95 290 -OG1_GB1_11 CB_GB1_34 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 95 292 +OG1_GB1_11 CB_GB1_34 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 95 292 OG1_GB1_11 H_GB1_35 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 95 296 -OG1_GB1_11 CB_GB1_35 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 95 298 +OG1_GB1_11 CB_GB1_35 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 95 298 OG1_GB1_11 H_GB1_36 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 95 305 -OG1_GB1_11 CB_GB1_36 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 95 307 +OG1_GB1_11 CB_GB1_36 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 95 307 OG1_GB1_11 H_GB1_37 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 95 314 -OG1_GB1_11 CB_GB1_37 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 95 316 +OG1_GB1_11 CB_GB1_37 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 95 316 OG1_GB1_11 H_GB1_38 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 95 323 -OG1_GB1_11 CA_GB1_38 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 95 324 +OG1_GB1_11 CA_GB1_38 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 95 324 OG1_GB1_11 H_GB1_39 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 95 328 -OG1_GB1_11 CB_GB1_39 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 95 330 -OG1_GB1_11 CG1_GB1_39 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 95 331 -OG1_GB1_11 CG2_GB1_39 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 95 332 +OG1_GB1_11 CB_GB1_39 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 95 330 +OG1_GB1_11 CG1_GB1_39 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 95 331 +OG1_GB1_11 CG2_GB1_39 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 95 332 OG1_GB1_11 H_GB1_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 95 336 -OG1_GB1_11 CB_GB1_40 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 95 338 +OG1_GB1_11 CB_GB1_40 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 95 338 OG1_GB1_11 H_GB1_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 95 345 -OG1_GB1_11 CA_GB1_41 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 95 346 +OG1_GB1_11 CA_GB1_41 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 95 346 OG1_GB1_11 H_GB1_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 95 350 -OG1_GB1_11 CB_GB1_42 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 95 352 -OG1_GB1_11 CG_GB1_42 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 95 353 +OG1_GB1_11 CB_GB1_42 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 95 352 +OG1_GB1_11 CG_GB1_42 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 95 353 OG1_GB1_11 H_GB1_43 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 95 360 -OG1_GB1_11 CB_GB1_43 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 95 362 +OG1_GB1_11 CB_GB1_43 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 95 362 OG1_GB1_11 H_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 95 375 -OG1_GB1_11 CB_GB1_44 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 95 377 -OG1_GB1_11 CG2_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 95 379 +OG1_GB1_11 CB_GB1_44 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 95 377 +OG1_GB1_11 CG2_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 95 379 OG1_GB1_11 H_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 95 383 -OG1_GB1_11 CB_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 95 385 +OG1_GB1_11 CB_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 95 385 OG1_GB1_11 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 95 396 -OG1_GB1_11 CB_GB1_46 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 95 398 +OG1_GB1_11 CB_GB1_46 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 95 398 OG1_GB1_11 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 95 405 -OG1_GB1_11 CB_GB1_47 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 95 407 +OG1_GB1_11 CB_GB1_47 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 95 407 OG1_GB1_11 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 95 414 -OG1_GB1_11 CB_GB1_48 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 95 416 +OG1_GB1_11 CB_GB1_48 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 95 416 OG1_GB1_11 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 95 420 -OG1_GB1_11 CB_GB1_49 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 95 422 -OG1_GB1_11 CG2_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 95 424 +OG1_GB1_11 CB_GB1_49 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 95 422 +OG1_GB1_11 CG2_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 95 424 OG1_GB1_11 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 95 428 -OG1_GB1_11 CB_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 95 430 -OG1_GB1_11 CG_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 95 431 -OG1_GB1_11 CD_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 95 432 -OG1_GB1_11 CE_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 95 433 +OG1_GB1_11 CB_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 95 430 +OG1_GB1_11 CG_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 95 431 +OG1_GB1_11 CD_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 95 432 +OG1_GB1_11 CE_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 95 433 OG1_GB1_11 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 95 438 -OG1_GB1_11 CB_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 95 440 -OG1_GB1_11 CG2_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 95 442 +OG1_GB1_11 CB_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 95 440 +OG1_GB1_11 CG2_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 95 442 OG1_GB1_11 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 95 446 -OG1_GB1_11 CB_GB1_52 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 95 448 +OG1_GB1_11 CB_GB1_52 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 95 448 OG1_GB1_11 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 95 458 -OG1_GB1_11 CB_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 95 460 -OG1_GB1_11 CG2_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 95 462 +OG1_GB1_11 CB_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 95 460 +OG1_GB1_11 CG2_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 95 462 OG1_GB1_11 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 95 466 -OG1_GB1_11 CB_GB1_54 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 95 468 -OG1_GB1_11 CG1_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 95 469 -OG1_GB1_11 CG2_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 95 470 +OG1_GB1_11 CB_GB1_54 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 95 468 +OG1_GB1_11 CG1_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 95 469 +OG1_GB1_11 CG2_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 95 470 OG1_GB1_11 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 95 474 -OG1_GB1_11 CB_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 95 476 -OG1_GB1_11 CG2_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 95 478 +OG1_GB1_11 CB_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 95 476 +OG1_GB1_11 CG2_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 95 478 OG1_GB1_11 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 95 482 -OG1_GB1_11 CB_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 95 484 -OG1_GB1_11 CG_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 95 485 -CG2_GB1_11 C_GB1_11 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 97 +OG1_GB1_11 CB_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 95 484 +OG1_GB1_11 CG_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 95 485 +CG2_GB1_11 C_GB1_11 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 97 CG2_GB1_11 O_GB1_11 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 96 98 -CG2_GB1_11 N_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 96 99 -CG2_GB1_11 C_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 106 +CG2_GB1_11 N_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 96 99 +CG2_GB1_11 C_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 106 CG2_GB1_11 O_GB1_12 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 96 107 -CG2_GB1_11 N_GB1_13 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 96 108 -CG2_GB1_11 NZ_GB1_13 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 96 115 -CG2_GB1_11 C_GB1_13 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 116 +CG2_GB1_11 N_GB1_13 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 96 108 +CG2_GB1_11 NZ_GB1_13 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 96 115 +CG2_GB1_11 C_GB1_13 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 116 CG2_GB1_11 O_GB1_13 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 96 117 -CG2_GB1_11 N_GB1_14 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 96 118 -CG2_GB1_11 C_GB1_14 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 121 +CG2_GB1_11 N_GB1_14 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 96 118 +CG2_GB1_11 C_GB1_14 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 121 CG2_GB1_11 O_GB1_14 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 96 122 -CG2_GB1_11 N_GB1_15 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 96 123 -CG2_GB1_11 CD_GB1_15 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 128 +CG2_GB1_11 N_GB1_15 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 96 123 +CG2_GB1_11 CD_GB1_15 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 128 CG2_GB1_11 OE1_GB1_15 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 96 129 CG2_GB1_11 OE2_GB1_15 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 96 130 -CG2_GB1_11 C_GB1_15 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 131 +CG2_GB1_11 C_GB1_15 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 131 CG2_GB1_11 O_GB1_15 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 96 132 -CG2_GB1_11 N_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 96 133 -CG2_GB1_11 OG1_GB1_16 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 96 137 -CG2_GB1_11 C_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 139 +CG2_GB1_11 N_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 96 133 +CG2_GB1_11 OG1_GB1_16 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 96 137 +CG2_GB1_11 C_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 139 CG2_GB1_11 O_GB1_16 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 96 140 -CG2_GB1_11 N_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 96 141 -CG2_GB1_11 OG1_GB1_17 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 96 145 -CG2_GB1_11 C_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 147 +CG2_GB1_11 N_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 96 141 +CG2_GB1_11 OG1_GB1_17 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 96 145 +CG2_GB1_11 C_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 147 CG2_GB1_11 O_GB1_17 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 96 148 -CG2_GB1_11 N_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 96 149 -CG2_GB1_11 OG1_GB1_18 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 96 153 -CG2_GB1_11 C_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 155 +CG2_GB1_11 N_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 96 149 +CG2_GB1_11 OG1_GB1_18 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 96 153 +CG2_GB1_11 C_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 155 CG2_GB1_11 O_GB1_18 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 96 156 -CG2_GB1_11 N_GB1_19 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 96 157 -CG2_GB1_11 CD_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 162 +CG2_GB1_11 N_GB1_19 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 96 157 +CG2_GB1_11 CD_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 162 CG2_GB1_11 OE1_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 96 163 CG2_GB1_11 OE2_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 96 164 -CG2_GB1_11 C_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 165 +CG2_GB1_11 C_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 165 CG2_GB1_11 O_GB1_19 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 96 166 -CG2_GB1_11 N_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 96 167 -CG2_GB1_11 C_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 171 +CG2_GB1_11 N_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 96 167 +CG2_GB1_11 C_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 171 CG2_GB1_11 O_GB1_20 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 96 172 -CG2_GB1_11 N_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 96 173 -CG2_GB1_11 C_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 179 +CG2_GB1_11 N_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 96 173 +CG2_GB1_11 C_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 179 CG2_GB1_11 O_GB1_21 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 96 180 -CG2_GB1_11 N_GB1_22 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 96 181 -CG2_GB1_11 CG_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 185 +CG2_GB1_11 N_GB1_22 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 96 181 +CG2_GB1_11 CG_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 185 CG2_GB1_11 OD1_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 96 186 CG2_GB1_11 OD2_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 96 187 -CG2_GB1_11 C_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 188 +CG2_GB1_11 C_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 188 CG2_GB1_11 O_GB1_22 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 96 189 -CG2_GB1_11 N_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 96 190 -CG2_GB1_11 C_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 194 +CG2_GB1_11 N_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 96 190 +CG2_GB1_11 C_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 194 CG2_GB1_11 O_GB1_23 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 96 195 -CG2_GB1_11 N_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 96 196 -CG2_GB1_11 C_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 200 +CG2_GB1_11 N_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 96 196 +CG2_GB1_11 C_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 200 CG2_GB1_11 O_GB1_24 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 96 201 -CG2_GB1_11 N_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 96 202 -CG2_GB1_11 OG1_GB1_25 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 96 206 -CG2_GB1_11 C_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 208 +CG2_GB1_11 N_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 96 202 +CG2_GB1_11 OG1_GB1_25 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 96 206 +CG2_GB1_11 C_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 208 CG2_GB1_11 O_GB1_25 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 96 209 -CG2_GB1_11 N_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 96 210 -CG2_GB1_11 C_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 214 +CG2_GB1_11 N_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 96 210 +CG2_GB1_11 C_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 214 CG2_GB1_11 O_GB1_26 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 96 215 -CG2_GB1_11 N_GB1_27 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 96 216 -CG2_GB1_11 CD_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 221 +CG2_GB1_11 N_GB1_27 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 96 216 +CG2_GB1_11 CD_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 221 CG2_GB1_11 OE1_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 96 222 CG2_GB1_11 OE2_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 96 223 -CG2_GB1_11 C_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 224 +CG2_GB1_11 C_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 224 CG2_GB1_11 O_GB1_27 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 96 225 -CG2_GB1_11 N_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 96 226 -CG2_GB1_11 NZ_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 96 233 -CG2_GB1_11 C_GB1_28 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 234 +CG2_GB1_11 N_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 96 226 +CG2_GB1_11 NZ_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 96 233 +CG2_GB1_11 C_GB1_28 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 234 CG2_GB1_11 O_GB1_28 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 96 235 -CG2_GB1_11 N_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 96 236 -CG2_GB1_11 C_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 242 +CG2_GB1_11 N_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 96 236 +CG2_GB1_11 C_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 242 CG2_GB1_11 O_GB1_29 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 96 243 -CG2_GB1_11 N_GB1_30 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 96 244 -CG2_GB1_11 C_GB1_30 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 254 +CG2_GB1_11 N_GB1_30 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 96 244 +CG2_GB1_11 C_GB1_30 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 254 CG2_GB1_11 O_GB1_30 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 96 255 -CG2_GB1_11 N_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 96 256 -CG2_GB1_11 NZ_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 96 263 -CG2_GB1_11 C_GB1_31 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 264 +CG2_GB1_11 N_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 96 256 +CG2_GB1_11 NZ_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 96 263 +CG2_GB1_11 C_GB1_31 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 264 CG2_GB1_11 O_GB1_31 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 96 265 -CG2_GB1_11 N_GB1_32 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 96 266 -CG2_GB1_11 CD_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 271 +CG2_GB1_11 N_GB1_32 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 96 266 +CG2_GB1_11 CD_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 271 CG2_GB1_11 OE1_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 96 272 -CG2_GB1_11 NE2_GB1_32 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 96 273 -CG2_GB1_11 C_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 274 +CG2_GB1_11 NE2_GB1_32 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 96 273 +CG2_GB1_11 C_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 274 CG2_GB1_11 O_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 96 275 -CG2_GB1_11 N_GB1_33 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 96 276 -CG2_GB1_11 OH_GB1_33 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 96 286 -CG2_GB1_11 C_GB1_33 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 287 +CG2_GB1_11 N_GB1_33 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 96 276 +CG2_GB1_11 OH_GB1_33 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 96 286 +CG2_GB1_11 C_GB1_33 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 287 CG2_GB1_11 O_GB1_33 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 96 288 -CG2_GB1_11 N_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 96 289 -CG2_GB1_11 C_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 293 +CG2_GB1_11 N_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 96 289 +CG2_GB1_11 C_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 293 CG2_GB1_11 O_GB1_34 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 96 294 -CG2_GB1_11 N_GB1_35 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 96 295 -CG2_GB1_11 CG_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 299 +CG2_GB1_11 N_GB1_35 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 96 295 +CG2_GB1_11 CG_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 299 CG2_GB1_11 OD1_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 96 300 -CG2_GB1_11 ND2_GB1_35 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 96 301 -CG2_GB1_11 C_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 302 +CG2_GB1_11 ND2_GB1_35 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 96 301 +CG2_GB1_11 C_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 302 CG2_GB1_11 O_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 96 303 -CG2_GB1_11 N_GB1_36 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 96 304 -CG2_GB1_11 CG_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 308 +CG2_GB1_11 N_GB1_36 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 96 304 +CG2_GB1_11 CG_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 308 CG2_GB1_11 OD1_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 96 309 CG2_GB1_11 OD2_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 96 310 -CG2_GB1_11 C_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 311 +CG2_GB1_11 C_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 311 CG2_GB1_11 O_GB1_36 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 96 312 -CG2_GB1_11 N_GB1_37 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 96 313 -CG2_GB1_11 CG_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 317 +CG2_GB1_11 N_GB1_37 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 96 313 +CG2_GB1_11 CG_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 317 CG2_GB1_11 OD1_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 96 318 -CG2_GB1_11 ND2_GB1_37 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 96 319 -CG2_GB1_11 C_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 320 +CG2_GB1_11 ND2_GB1_37 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 96 319 +CG2_GB1_11 C_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 320 CG2_GB1_11 O_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 96 321 -CG2_GB1_11 N_GB1_38 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 96 322 -CG2_GB1_11 C_GB1_38 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 325 +CG2_GB1_11 N_GB1_38 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 96 322 +CG2_GB1_11 C_GB1_38 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 325 CG2_GB1_11 O_GB1_38 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 96 326 -CG2_GB1_11 N_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 96 327 -CG2_GB1_11 C_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 333 +CG2_GB1_11 N_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 96 327 +CG2_GB1_11 C_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 333 CG2_GB1_11 O_GB1_39 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 96 334 -CG2_GB1_11 N_GB1_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 96 335 -CG2_GB1_11 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 339 +CG2_GB1_11 N_GB1_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 96 335 +CG2_GB1_11 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 339 CG2_GB1_11 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 96 340 CG2_GB1_11 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 96 341 -CG2_GB1_11 C_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 342 +CG2_GB1_11 C_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 342 CG2_GB1_11 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 96 343 -CG2_GB1_11 N_GB1_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 96 344 -CG2_GB1_11 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 347 +CG2_GB1_11 N_GB1_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 96 344 +CG2_GB1_11 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 347 CG2_GB1_11 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 96 348 -CG2_GB1_11 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 96 349 -CG2_GB1_11 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 354 +CG2_GB1_11 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 96 349 +CG2_GB1_11 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 354 CG2_GB1_11 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 96 355 CG2_GB1_11 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 96 356 -CG2_GB1_11 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 357 +CG2_GB1_11 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 357 CG2_GB1_11 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 96 358 -CG2_GB1_11 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 96 359 -CG2_GB1_11 NE1_GB1_43 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.0 1.0 1.0 1.0 False mg 7 96 366 -CG2_GB1_11 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 372 +CG2_GB1_11 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 96 359 +CG2_GB1_11 NE1_GB1_43 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.0 1.0 1.0 1.0 False mg 7 96 366 +CG2_GB1_11 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 372 CG2_GB1_11 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 96 373 -CG2_GB1_11 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 96 374 -CG2_GB1_11 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 96 378 -CG2_GB1_11 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 380 +CG2_GB1_11 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 96 374 +CG2_GB1_11 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 96 378 +CG2_GB1_11 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 380 CG2_GB1_11 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 96 381 -CG2_GB1_11 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 96 382 -CG2_GB1_11 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 96 392 -CG2_GB1_11 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 393 +CG2_GB1_11 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 96 382 +CG2_GB1_11 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 96 392 +CG2_GB1_11 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 393 CG2_GB1_11 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 96 394 -CG2_GB1_11 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 96 395 -CG2_GB1_11 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 399 +CG2_GB1_11 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 96 395 +CG2_GB1_11 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 399 CG2_GB1_11 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 96 400 CG2_GB1_11 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 96 401 -CG2_GB1_11 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 402 +CG2_GB1_11 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 402 CG2_GB1_11 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 96 403 -CG2_GB1_11 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 96 404 -CG2_GB1_11 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 408 +CG2_GB1_11 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 96 404 +CG2_GB1_11 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 408 CG2_GB1_11 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 96 409 CG2_GB1_11 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 96 410 -CG2_GB1_11 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 411 +CG2_GB1_11 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 411 CG2_GB1_11 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 96 412 -CG2_GB1_11 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 96 413 -CG2_GB1_11 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 417 +CG2_GB1_11 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 96 413 +CG2_GB1_11 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 417 CG2_GB1_11 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 96 418 -CG2_GB1_11 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 96 419 -CG2_GB1_11 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 96 423 -CG2_GB1_11 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 425 +CG2_GB1_11 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 96 419 +CG2_GB1_11 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 96 423 +CG2_GB1_11 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 425 CG2_GB1_11 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 96 426 -CG2_GB1_11 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 96 427 -CG2_GB1_11 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 96 434 -CG2_GB1_11 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 435 +CG2_GB1_11 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 96 427 +CG2_GB1_11 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 96 434 +CG2_GB1_11 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 435 CG2_GB1_11 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 96 436 -CG2_GB1_11 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 96 437 -CG2_GB1_11 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 96 441 -CG2_GB1_11 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 443 +CG2_GB1_11 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 96 437 +CG2_GB1_11 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 96 441 +CG2_GB1_11 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 443 CG2_GB1_11 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 96 444 -CG2_GB1_11 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 96 445 -CG2_GB1_11 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 455 +CG2_GB1_11 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 96 445 +CG2_GB1_11 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 455 CG2_GB1_11 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 96 456 -CG2_GB1_11 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 96 457 -CG2_GB1_11 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 96 461 -CG2_GB1_11 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 463 +CG2_GB1_11 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 96 457 +CG2_GB1_11 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 96 461 +CG2_GB1_11 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 463 CG2_GB1_11 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 96 464 -CG2_GB1_11 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 96 465 -CG2_GB1_11 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 471 +CG2_GB1_11 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 96 465 +CG2_GB1_11 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 471 CG2_GB1_11 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 96 472 -CG2_GB1_11 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 96 473 -CG2_GB1_11 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 96 477 -CG2_GB1_11 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 479 +CG2_GB1_11 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 96 473 +CG2_GB1_11 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 96 477 +CG2_GB1_11 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 479 CG2_GB1_11 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 96 480 -CG2_GB1_11 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 96 481 -CG2_GB1_11 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 486 +CG2_GB1_11 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 96 481 +CG2_GB1_11 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 486 CG2_GB1_11 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 96 487 CG2_GB1_11 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 96 488 -CG2_GB1_11 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 96 489 +CG2_GB1_11 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 96 489 CG2_GB1_11 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 96 490 CG2_GB1_11 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 96 491 - C_GB1_11 CB_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 97 102 - C_GB1_11 CG_GB1_12 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 97 103 - C_GB1_11 CD1_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 97 104 - C_GB1_11 CD2_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 97 105 - C_GB1_11 CB_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 97 111 - C_GB1_11 CG_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 97 112 - C_GB1_11 CD_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 97 113 - C_GB1_11 CE_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 97 114 - C_GB1_11 CA_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 97 120 - C_GB1_11 CB_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 97 126 - C_GB1_11 CG_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 97 127 - C_GB1_11 CB_GB1_16 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 97 136 - C_GB1_11 CG2_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 97 138 - C_GB1_11 CB_GB1_17 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 97 144 - C_GB1_11 CG2_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 97 146 - C_GB1_11 CB_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 97 152 - C_GB1_11 CG2_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 97 154 - C_GB1_11 CB_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 97 160 - C_GB1_11 CG_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 97 161 - C_GB1_11 CB_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 97 170 - C_GB1_11 CB_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 97 176 - C_GB1_11 CG1_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 97 177 - C_GB1_11 CG2_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 97 178 - C_GB1_11 CB_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 97 184 - C_GB1_11 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 97 193 - C_GB1_11 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 97 199 - C_GB1_11 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 97 205 - C_GB1_11 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 97 207 - C_GB1_11 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 97 213 - C_GB1_11 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 97 219 - C_GB1_11 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 97 220 - C_GB1_11 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 97 229 - C_GB1_11 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 97 230 - C_GB1_11 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 97 231 - C_GB1_11 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 97 232 - C_GB1_11 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 97 239 - C_GB1_11 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 97 240 - C_GB1_11 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 97 241 - C_GB1_11 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 97 247 - C_GB1_11 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 97 259 - C_GB1_11 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 97 260 - C_GB1_11 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 97 261 - C_GB1_11 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 97 262 - C_GB1_11 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 97 269 - C_GB1_11 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 97 270 - C_GB1_11 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 97 279 - C_GB1_11 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 97 292 - C_GB1_11 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 97 298 - C_GB1_11 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 97 307 - C_GB1_11 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 97 316 - C_GB1_11 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 97 324 - C_GB1_11 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 97 330 - C_GB1_11 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 97 331 - C_GB1_11 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 97 332 - C_GB1_11 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 97 338 - C_GB1_11 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 97 346 - C_GB1_11 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 97 352 - C_GB1_11 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 97 353 - C_GB1_11 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 97 362 - C_GB1_11 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 97 377 - C_GB1_11 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 97 379 - C_GB1_11 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 97 385 - C_GB1_11 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 97 398 - C_GB1_11 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 97 407 - C_GB1_11 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 97 416 - C_GB1_11 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 97 422 - C_GB1_11 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 97 424 - C_GB1_11 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 97 430 - C_GB1_11 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 97 431 - C_GB1_11 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 97 432 - C_GB1_11 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 97 433 - C_GB1_11 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 97 440 - C_GB1_11 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 97 442 - C_GB1_11 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 97 448 - C_GB1_11 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 97 460 - C_GB1_11 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 97 462 - C_GB1_11 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 97 468 - C_GB1_11 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 97 469 - C_GB1_11 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 97 470 - C_GB1_11 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 97 476 - C_GB1_11 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 97 478 - C_GB1_11 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 97 484 - C_GB1_11 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 97 485 + C_GB1_11 CB_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 97 102 + C_GB1_11 CG_GB1_12 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 97 103 + C_GB1_11 CD1_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 97 104 + C_GB1_11 CD2_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 97 105 + C_GB1_11 CB_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 97 111 + C_GB1_11 CG_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 97 112 + C_GB1_11 CD_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 97 113 + C_GB1_11 CE_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 97 114 + C_GB1_11 CA_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 97 120 + C_GB1_11 CB_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 97 126 + C_GB1_11 CG_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 97 127 + C_GB1_11 CB_GB1_16 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 97 136 + C_GB1_11 CG2_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 97 138 + C_GB1_11 CB_GB1_17 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 97 144 + C_GB1_11 CG2_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 97 146 + C_GB1_11 CB_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 97 152 + C_GB1_11 CG2_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 97 154 + C_GB1_11 CB_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 97 160 + C_GB1_11 CG_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 97 161 + C_GB1_11 CB_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 97 170 + C_GB1_11 CB_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 97 176 + C_GB1_11 CG1_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 97 177 + C_GB1_11 CG2_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 97 178 + C_GB1_11 CB_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 97 184 + C_GB1_11 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 97 193 + C_GB1_11 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 97 199 + C_GB1_11 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 97 205 + C_GB1_11 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 97 207 + C_GB1_11 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 97 213 + C_GB1_11 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 97 219 + C_GB1_11 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 97 220 + C_GB1_11 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 97 229 + C_GB1_11 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 97 230 + C_GB1_11 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 97 231 + C_GB1_11 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 97 232 + C_GB1_11 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 97 239 + C_GB1_11 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 97 240 + C_GB1_11 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 97 241 + C_GB1_11 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 97 247 + C_GB1_11 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 97 259 + C_GB1_11 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 97 260 + C_GB1_11 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 97 261 + C_GB1_11 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 97 262 + C_GB1_11 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 97 269 + C_GB1_11 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 97 270 + C_GB1_11 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 97 279 + C_GB1_11 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 97 292 + C_GB1_11 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 97 298 + C_GB1_11 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 97 307 + C_GB1_11 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 97 316 + C_GB1_11 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 97 324 + C_GB1_11 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 97 330 + C_GB1_11 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 97 331 + C_GB1_11 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 97 332 + C_GB1_11 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 97 338 + C_GB1_11 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 97 346 + C_GB1_11 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 97 352 + C_GB1_11 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 97 353 + C_GB1_11 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 97 362 + C_GB1_11 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 97 377 + C_GB1_11 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 97 379 + C_GB1_11 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 97 385 + C_GB1_11 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 97 398 + C_GB1_11 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 97 407 + C_GB1_11 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 97 416 + C_GB1_11 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 97 422 + C_GB1_11 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 97 424 + C_GB1_11 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 97 430 + C_GB1_11 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 97 431 + C_GB1_11 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 97 432 + C_GB1_11 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 97 433 + C_GB1_11 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 97 440 + C_GB1_11 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 97 442 + C_GB1_11 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 97 448 + C_GB1_11 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 97 460 + C_GB1_11 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 97 462 + C_GB1_11 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 97 468 + C_GB1_11 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 97 469 + C_GB1_11 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 97 470 + C_GB1_11 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 97 476 + C_GB1_11 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 97 478 + C_GB1_11 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 97 484 + C_GB1_11 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 97 485 O_GB1_11 O_GB1_11 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 98 98 O_GB1_11 H_GB1_12 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 98 100 O_GB1_11 CB_GB1_12 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 98 102 @@ -14030,89 +14030,89 @@ CG2_GB1_11 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- O_GB1_11 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 98 488 O_GB1_11 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 98 490 O_GB1_11 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 98 491 - N_GB1_12 CB_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 99 102 - N_GB1_12 CG_GB1_12 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 99 103 - N_GB1_12 CD1_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 99 104 - N_GB1_12 CD2_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 99 105 - N_GB1_12 CB_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 99 111 - N_GB1_12 CG_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 99 112 - N_GB1_12 CD_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 99 113 - N_GB1_12 CE_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 99 114 - N_GB1_12 CA_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 99 120 - N_GB1_12 CB_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 99 126 - N_GB1_12 CG_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 99 127 - N_GB1_12 CB_GB1_16 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 99 136 - N_GB1_12 CG2_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 99 138 - N_GB1_12 CB_GB1_17 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 99 144 - N_GB1_12 CG2_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 99 146 - N_GB1_12 CB_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 99 152 - N_GB1_12 CG2_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 99 154 - N_GB1_12 CB_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 99 160 - N_GB1_12 CG_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 99 161 - N_GB1_12 CB_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 99 170 - N_GB1_12 CB_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 99 176 - N_GB1_12 CG1_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 99 177 - N_GB1_12 CG2_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 99 178 - N_GB1_12 CB_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 99 184 - N_GB1_12 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 99 193 - N_GB1_12 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 99 199 - N_GB1_12 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 99 205 - N_GB1_12 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 99 207 - N_GB1_12 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 99 213 - N_GB1_12 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 99 219 - N_GB1_12 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 99 220 - N_GB1_12 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 99 229 - N_GB1_12 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 99 230 - N_GB1_12 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 99 231 - N_GB1_12 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 99 232 - N_GB1_12 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 99 239 - N_GB1_12 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 99 240 - N_GB1_12 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 99 241 - N_GB1_12 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 99 247 - N_GB1_12 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 99 259 - N_GB1_12 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 99 260 - N_GB1_12 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 99 261 - N_GB1_12 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 99 262 - N_GB1_12 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 99 269 - N_GB1_12 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 99 270 - N_GB1_12 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 99 279 - N_GB1_12 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 99 292 - N_GB1_12 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 99 298 - N_GB1_12 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 99 307 - N_GB1_12 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 99 316 - N_GB1_12 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 99 324 - N_GB1_12 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 99 330 - N_GB1_12 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 99 331 - N_GB1_12 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 99 332 - N_GB1_12 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 99 338 - N_GB1_12 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 99 346 - N_GB1_12 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 99 352 - N_GB1_12 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 99 353 - N_GB1_12 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 99 362 - N_GB1_12 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 99 377 - N_GB1_12 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 99 379 - N_GB1_12 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 99 385 - N_GB1_12 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 99 398 - N_GB1_12 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 99 407 - N_GB1_12 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 99 416 - N_GB1_12 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 99 422 - N_GB1_12 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 99 424 - N_GB1_12 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 99 430 - N_GB1_12 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 99 431 - N_GB1_12 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 99 432 - N_GB1_12 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 99 433 - N_GB1_12 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 99 440 - N_GB1_12 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 99 442 - N_GB1_12 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 99 448 - N_GB1_12 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 99 460 - N_GB1_12 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 99 462 - N_GB1_12 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 99 468 - N_GB1_12 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 99 469 - N_GB1_12 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 99 470 - N_GB1_12 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 99 476 - N_GB1_12 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 99 478 - N_GB1_12 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 99 484 - N_GB1_12 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 99 485 + N_GB1_12 CB_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 99 102 + N_GB1_12 CG_GB1_12 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 99 103 + N_GB1_12 CD1_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 99 104 + N_GB1_12 CD2_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 99 105 + N_GB1_12 CB_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 99 111 + N_GB1_12 CG_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 99 112 + N_GB1_12 CD_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 99 113 + N_GB1_12 CE_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 99 114 + N_GB1_12 CA_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 99 120 + N_GB1_12 CB_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 99 126 + N_GB1_12 CG_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 99 127 + N_GB1_12 CB_GB1_16 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 99 136 + N_GB1_12 CG2_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 99 138 + N_GB1_12 CB_GB1_17 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 99 144 + N_GB1_12 CG2_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 99 146 + N_GB1_12 CB_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 99 152 + N_GB1_12 CG2_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 99 154 + N_GB1_12 CB_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 99 160 + N_GB1_12 CG_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 99 161 + N_GB1_12 CB_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 99 170 + N_GB1_12 CB_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 99 176 + N_GB1_12 CG1_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 99 177 + N_GB1_12 CG2_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 99 178 + N_GB1_12 CB_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 99 184 + N_GB1_12 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 99 193 + N_GB1_12 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 99 199 + N_GB1_12 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 99 205 + N_GB1_12 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 99 207 + N_GB1_12 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 99 213 + N_GB1_12 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 99 219 + N_GB1_12 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 99 220 + N_GB1_12 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 99 229 + N_GB1_12 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 99 230 + N_GB1_12 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 99 231 + N_GB1_12 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 99 232 + N_GB1_12 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 99 239 + N_GB1_12 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 99 240 + N_GB1_12 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 99 241 + N_GB1_12 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 99 247 + N_GB1_12 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 99 259 + N_GB1_12 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 99 260 + N_GB1_12 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 99 261 + N_GB1_12 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 99 262 + N_GB1_12 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 99 269 + N_GB1_12 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 99 270 + N_GB1_12 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 99 279 + N_GB1_12 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 99 292 + N_GB1_12 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 99 298 + N_GB1_12 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 99 307 + N_GB1_12 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 99 316 + N_GB1_12 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 99 324 + N_GB1_12 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 99 330 + N_GB1_12 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 99 331 + N_GB1_12 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 99 332 + N_GB1_12 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 99 338 + N_GB1_12 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 99 346 + N_GB1_12 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 99 352 + N_GB1_12 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 99 353 + N_GB1_12 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 99 362 + N_GB1_12 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 99 377 + N_GB1_12 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 99 379 + N_GB1_12 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 99 385 + N_GB1_12 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 99 398 + N_GB1_12 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 99 407 + N_GB1_12 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 99 416 + N_GB1_12 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 99 422 + N_GB1_12 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 99 424 + N_GB1_12 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 99 430 + N_GB1_12 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 99 431 + N_GB1_12 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 99 432 + N_GB1_12 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 99 433 + N_GB1_12 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 99 440 + N_GB1_12 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 99 442 + N_GB1_12 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 99 448 + N_GB1_12 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 99 460 + N_GB1_12 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 99 462 + N_GB1_12 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 99 468 + N_GB1_12 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 99 469 + N_GB1_12 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 99 470 + N_GB1_12 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 99 476 + N_GB1_12 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 99 478 + N_GB1_12 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 99 484 + N_GB1_12 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 99 485 H_GB1_12 H_GB1_12 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 100 100 H_GB1_12 O_GB1_12 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 100 107 H_GB1_12 H_GB1_13 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 100 109 @@ -14238,845 +14238,845 @@ CG2_GB1_11 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- H_GB1_12 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 100 488 H_GB1_12 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 100 490 H_GB1_12 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 100 491 - CB_GB1_12 C_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 106 + CB_GB1_12 C_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 106 CB_GB1_12 O_GB1_12 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 102 107 - CB_GB1_12 N_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 102 108 - CB_GB1_12 NZ_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 102 115 - CB_GB1_12 C_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 116 + CB_GB1_12 N_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 102 108 + CB_GB1_12 NZ_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 102 115 + CB_GB1_12 C_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 116 CB_GB1_12 O_GB1_13 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 102 117 - CB_GB1_12 N_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 102 118 - CB_GB1_12 C_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 121 + CB_GB1_12 N_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 102 118 + CB_GB1_12 C_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 121 CB_GB1_12 O_GB1_14 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 102 122 - CB_GB1_12 N_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 102 123 - CB_GB1_12 CD_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 128 - CB_GB1_12 OE1_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 102 129 - CB_GB1_12 OE2_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 102 130 - CB_GB1_12 C_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 131 + CB_GB1_12 N_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 102 123 + CB_GB1_12 CD_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 128 + CB_GB1_12 OE1_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 102 129 + CB_GB1_12 OE2_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 102 130 + CB_GB1_12 C_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 131 CB_GB1_12 O_GB1_15 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 102 132 - CB_GB1_12 N_GB1_16 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 102 133 - CB_GB1_12 OG1_GB1_16 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 102 137 - CB_GB1_12 C_GB1_16 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 139 + CB_GB1_12 N_GB1_16 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 102 133 + CB_GB1_12 OG1_GB1_16 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 102 137 + CB_GB1_12 C_GB1_16 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 139 CB_GB1_12 O_GB1_16 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 102 140 - CB_GB1_12 N_GB1_17 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 102 141 - CB_GB1_12 OG1_GB1_17 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 102 145 - CB_GB1_12 C_GB1_17 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 147 + CB_GB1_12 N_GB1_17 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 102 141 + CB_GB1_12 OG1_GB1_17 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 102 145 + CB_GB1_12 C_GB1_17 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 147 CB_GB1_12 O_GB1_17 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 102 148 - CB_GB1_12 N_GB1_18 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 102 149 - CB_GB1_12 OG1_GB1_18 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 102 153 - CB_GB1_12 C_GB1_18 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 155 + CB_GB1_12 N_GB1_18 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 102 149 + CB_GB1_12 OG1_GB1_18 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 102 153 + CB_GB1_12 C_GB1_18 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 155 CB_GB1_12 O_GB1_18 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 102 156 - CB_GB1_12 N_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 102 157 - CB_GB1_12 CD_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 162 - CB_GB1_12 OE1_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 102 163 - CB_GB1_12 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 102 164 - CB_GB1_12 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 165 + CB_GB1_12 N_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 102 157 + CB_GB1_12 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 162 + CB_GB1_12 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 102 163 + CB_GB1_12 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 102 164 + CB_GB1_12 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 165 CB_GB1_12 O_GB1_19 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 102 166 - CB_GB1_12 N_GB1_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 102 167 - CB_GB1_12 C_GB1_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 171 + CB_GB1_12 N_GB1_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 102 167 + CB_GB1_12 C_GB1_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 171 CB_GB1_12 O_GB1_20 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 102 172 - CB_GB1_12 N_GB1_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 102 173 - CB_GB1_12 C_GB1_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 179 + CB_GB1_12 N_GB1_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 102 173 + CB_GB1_12 C_GB1_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 179 CB_GB1_12 O_GB1_21 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 102 180 - CB_GB1_12 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 102 181 - CB_GB1_12 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 185 - CB_GB1_12 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 102 186 - CB_GB1_12 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 102 187 - CB_GB1_12 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 188 + CB_GB1_12 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 102 181 + CB_GB1_12 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 185 + CB_GB1_12 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 102 186 + CB_GB1_12 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 102 187 + CB_GB1_12 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 188 CB_GB1_12 O_GB1_22 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 102 189 - CB_GB1_12 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 102 190 - CB_GB1_12 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 194 + CB_GB1_12 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 102 190 + CB_GB1_12 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 194 CB_GB1_12 O_GB1_23 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 102 195 - CB_GB1_12 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 102 196 - CB_GB1_12 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 200 + CB_GB1_12 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 102 196 + CB_GB1_12 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 200 CB_GB1_12 O_GB1_24 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 102 201 - CB_GB1_12 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 102 202 - CB_GB1_12 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 102 206 - CB_GB1_12 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 208 + CB_GB1_12 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 102 202 + CB_GB1_12 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 102 206 + CB_GB1_12 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 208 CB_GB1_12 O_GB1_25 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 102 209 - CB_GB1_12 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 102 210 - CB_GB1_12 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 214 + CB_GB1_12 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 102 210 + CB_GB1_12 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 214 CB_GB1_12 O_GB1_26 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 102 215 - CB_GB1_12 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 102 216 - CB_GB1_12 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 221 - CB_GB1_12 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 102 222 - CB_GB1_12 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 102 223 - CB_GB1_12 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 224 + CB_GB1_12 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 102 216 + CB_GB1_12 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 221 + CB_GB1_12 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 102 222 + CB_GB1_12 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 102 223 + CB_GB1_12 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 224 CB_GB1_12 O_GB1_27 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 102 225 - CB_GB1_12 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 102 226 - CB_GB1_12 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 102 233 - CB_GB1_12 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 234 + CB_GB1_12 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 102 226 + CB_GB1_12 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 102 233 + CB_GB1_12 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 234 CB_GB1_12 O_GB1_28 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 102 235 - CB_GB1_12 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 102 236 - CB_GB1_12 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 242 + CB_GB1_12 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 102 236 + CB_GB1_12 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 242 CB_GB1_12 O_GB1_29 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 102 243 - CB_GB1_12 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 102 244 - CB_GB1_12 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 254 + CB_GB1_12 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 102 244 + CB_GB1_12 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 254 CB_GB1_12 O_GB1_30 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 102 255 - CB_GB1_12 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 102 256 - CB_GB1_12 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 102 263 - CB_GB1_12 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 264 + CB_GB1_12 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 102 256 + CB_GB1_12 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 102 263 + CB_GB1_12 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 264 CB_GB1_12 O_GB1_31 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 102 265 - CB_GB1_12 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 102 266 - CB_GB1_12 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 271 + CB_GB1_12 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 102 266 + CB_GB1_12 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 271 CB_GB1_12 OE1_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 102 272 - CB_GB1_12 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 102 273 - CB_GB1_12 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 274 + CB_GB1_12 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 102 273 + CB_GB1_12 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 274 CB_GB1_12 O_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 102 275 - CB_GB1_12 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 102 276 - CB_GB1_12 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 102 286 - CB_GB1_12 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 287 + CB_GB1_12 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 102 276 + CB_GB1_12 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 102 286 + CB_GB1_12 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 287 CB_GB1_12 O_GB1_33 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 102 288 - CB_GB1_12 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 102 289 - CB_GB1_12 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 293 + CB_GB1_12 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 102 289 + CB_GB1_12 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 293 CB_GB1_12 O_GB1_34 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 102 294 - CB_GB1_12 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 102 295 - CB_GB1_12 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 299 + CB_GB1_12 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 102 295 + CB_GB1_12 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 299 CB_GB1_12 OD1_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 102 300 - CB_GB1_12 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 102 301 - CB_GB1_12 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 302 + CB_GB1_12 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 102 301 + CB_GB1_12 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 302 CB_GB1_12 O_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 102 303 - CB_GB1_12 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 102 304 - CB_GB1_12 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 308 - CB_GB1_12 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 102 309 - CB_GB1_12 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 102 310 - CB_GB1_12 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 311 + CB_GB1_12 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 102 304 + CB_GB1_12 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 308 + CB_GB1_12 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 102 309 + CB_GB1_12 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 102 310 + CB_GB1_12 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 311 CB_GB1_12 O_GB1_36 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 102 312 - CB_GB1_12 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 102 313 - CB_GB1_12 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 317 + CB_GB1_12 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 102 313 + CB_GB1_12 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 317 CB_GB1_12 OD1_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 102 318 - CB_GB1_12 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 102 319 - CB_GB1_12 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 320 + CB_GB1_12 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 102 319 + CB_GB1_12 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 320 CB_GB1_12 O_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 102 321 - CB_GB1_12 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 102 322 - CB_GB1_12 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 325 + CB_GB1_12 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 102 322 + CB_GB1_12 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 325 CB_GB1_12 O_GB1_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 102 326 - CB_GB1_12 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 102 327 - CB_GB1_12 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 333 + CB_GB1_12 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 102 327 + CB_GB1_12 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 333 CB_GB1_12 O_GB1_39 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 102 334 - CB_GB1_12 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 102 335 - CB_GB1_12 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 339 - CB_GB1_12 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 102 340 - CB_GB1_12 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 102 341 - CB_GB1_12 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 342 + CB_GB1_12 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 102 335 + CB_GB1_12 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 339 + CB_GB1_12 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 102 340 + CB_GB1_12 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 102 341 + CB_GB1_12 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 342 CB_GB1_12 O_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 102 343 - CB_GB1_12 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 102 344 - CB_GB1_12 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 347 + CB_GB1_12 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 102 344 + CB_GB1_12 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 347 CB_GB1_12 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 102 348 - CB_GB1_12 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 102 349 - CB_GB1_12 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 354 - CB_GB1_12 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 102 355 - CB_GB1_12 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 102 356 - CB_GB1_12 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 357 + CB_GB1_12 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 102 349 + CB_GB1_12 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 354 + CB_GB1_12 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 102 355 + CB_GB1_12 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 102 356 + CB_GB1_12 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 357 CB_GB1_12 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 102 358 - CB_GB1_12 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 102 359 - CB_GB1_12 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 102 366 - CB_GB1_12 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 372 + CB_GB1_12 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 102 359 + CB_GB1_12 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 102 366 + CB_GB1_12 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 372 CB_GB1_12 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 102 373 - CB_GB1_12 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 102 374 - CB_GB1_12 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 102 378 - CB_GB1_12 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 380 + CB_GB1_12 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 102 374 + CB_GB1_12 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 102 378 + CB_GB1_12 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 380 CB_GB1_12 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 102 381 - CB_GB1_12 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 102 382 - CB_GB1_12 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 102 392 - CB_GB1_12 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 393 + CB_GB1_12 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 102 382 + CB_GB1_12 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 102 392 + CB_GB1_12 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 393 CB_GB1_12 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 102 394 - CB_GB1_12 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 102 395 - CB_GB1_12 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 399 - CB_GB1_12 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 102 400 - CB_GB1_12 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 102 401 - CB_GB1_12 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 402 + CB_GB1_12 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 102 395 + CB_GB1_12 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 399 + CB_GB1_12 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 102 400 + CB_GB1_12 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 102 401 + CB_GB1_12 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 402 CB_GB1_12 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 102 403 - CB_GB1_12 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 102 404 - CB_GB1_12 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 408 - CB_GB1_12 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 102 409 - CB_GB1_12 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 102 410 - CB_GB1_12 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 411 + CB_GB1_12 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 102 404 + CB_GB1_12 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 408 + CB_GB1_12 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 102 409 + CB_GB1_12 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 102 410 + CB_GB1_12 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 411 CB_GB1_12 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 102 412 - CB_GB1_12 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 102 413 - CB_GB1_12 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 417 + CB_GB1_12 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 102 413 + CB_GB1_12 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 417 CB_GB1_12 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 102 418 - CB_GB1_12 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 102 419 - CB_GB1_12 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 102 423 - CB_GB1_12 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 425 + CB_GB1_12 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 102 419 + CB_GB1_12 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 102 423 + CB_GB1_12 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 425 CB_GB1_12 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 102 426 - CB_GB1_12 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 102 427 - CB_GB1_12 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 102 434 - CB_GB1_12 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 435 + CB_GB1_12 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 102 427 + CB_GB1_12 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 102 434 + CB_GB1_12 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 435 CB_GB1_12 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 102 436 - CB_GB1_12 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 102 437 - CB_GB1_12 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 102 441 - CB_GB1_12 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 443 + CB_GB1_12 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 102 437 + CB_GB1_12 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 102 441 + CB_GB1_12 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 443 CB_GB1_12 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 102 444 - CB_GB1_12 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 102 445 - CB_GB1_12 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 455 + CB_GB1_12 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 102 445 + CB_GB1_12 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 455 CB_GB1_12 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 102 456 - CB_GB1_12 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 102 457 - CB_GB1_12 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 102 461 - CB_GB1_12 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 463 + CB_GB1_12 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 102 457 + CB_GB1_12 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 102 461 + CB_GB1_12 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 463 CB_GB1_12 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 102 464 - CB_GB1_12 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 102 465 - CB_GB1_12 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 471 + CB_GB1_12 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 102 465 + CB_GB1_12 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 471 CB_GB1_12 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 102 472 - CB_GB1_12 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 102 473 - CB_GB1_12 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 102 477 - CB_GB1_12 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 479 + CB_GB1_12 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 102 473 + CB_GB1_12 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 102 477 + CB_GB1_12 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 479 CB_GB1_12 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 102 480 - CB_GB1_12 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 102 481 - CB_GB1_12 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 486 - CB_GB1_12 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 102 487 - CB_GB1_12 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 102 488 - CB_GB1_12 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 102 489 - CB_GB1_12 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 102 490 - CB_GB1_12 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 102 491 - CG_GB1_12 C_GB1_12 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 106 + CB_GB1_12 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 102 481 + CB_GB1_12 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 486 + CB_GB1_12 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 102 487 + CB_GB1_12 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 102 488 + CB_GB1_12 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 102 489 + CB_GB1_12 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 102 490 + CB_GB1_12 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 102 491 + CG_GB1_12 C_GB1_12 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 106 CG_GB1_12 O_GB1_12 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 103 107 - CG_GB1_12 N_GB1_13 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 103 108 - CG_GB1_12 NZ_GB1_13 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 103 115 - CG_GB1_12 C_GB1_13 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 116 + CG_GB1_12 N_GB1_13 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 103 108 + CG_GB1_12 NZ_GB1_13 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 103 115 + CG_GB1_12 C_GB1_13 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 116 CG_GB1_12 O_GB1_13 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 103 117 - CG_GB1_12 N_GB1_14 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 103 118 - CG_GB1_12 C_GB1_14 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 121 + CG_GB1_12 N_GB1_14 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 103 118 + CG_GB1_12 C_GB1_14 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 121 CG_GB1_12 O_GB1_14 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 103 122 - CG_GB1_12 N_GB1_15 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 103 123 - CG_GB1_12 CD_GB1_15 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 128 - CG_GB1_12 OE1_GB1_15 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 103 129 - CG_GB1_12 OE2_GB1_15 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 103 130 - CG_GB1_12 C_GB1_15 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 131 + CG_GB1_12 N_GB1_15 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 103 123 + CG_GB1_12 CD_GB1_15 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 128 + CG_GB1_12 OE1_GB1_15 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 103 129 + CG_GB1_12 OE2_GB1_15 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 103 130 + CG_GB1_12 C_GB1_15 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 131 CG_GB1_12 O_GB1_15 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 103 132 - CG_GB1_12 N_GB1_16 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 103 133 - CG_GB1_12 OG1_GB1_16 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 103 137 - CG_GB1_12 C_GB1_16 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 139 + CG_GB1_12 N_GB1_16 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 103 133 + CG_GB1_12 OG1_GB1_16 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 103 137 + CG_GB1_12 C_GB1_16 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 139 CG_GB1_12 O_GB1_16 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 103 140 - CG_GB1_12 N_GB1_17 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 103 141 - CG_GB1_12 OG1_GB1_17 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 103 145 - CG_GB1_12 C_GB1_17 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 147 + CG_GB1_12 N_GB1_17 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 103 141 + CG_GB1_12 OG1_GB1_17 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 103 145 + CG_GB1_12 C_GB1_17 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 147 CG_GB1_12 O_GB1_17 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 103 148 - CG_GB1_12 N_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 103 149 - CG_GB1_12 OG1_GB1_18 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 103 153 - CG_GB1_12 C_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 155 + CG_GB1_12 N_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 103 149 + CG_GB1_12 OG1_GB1_18 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 103 153 + CG_GB1_12 C_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 155 CG_GB1_12 O_GB1_18 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 103 156 - CG_GB1_12 N_GB1_19 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 103 157 - CG_GB1_12 CD_GB1_19 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 162 - CG_GB1_12 OE1_GB1_19 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 103 163 - CG_GB1_12 OE2_GB1_19 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 103 164 - CG_GB1_12 C_GB1_19 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 165 + CG_GB1_12 N_GB1_19 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 103 157 + CG_GB1_12 CD_GB1_19 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 162 + CG_GB1_12 OE1_GB1_19 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 103 163 + CG_GB1_12 OE2_GB1_19 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 103 164 + CG_GB1_12 C_GB1_19 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 165 CG_GB1_12 O_GB1_19 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 103 166 - CG_GB1_12 N_GB1_20 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 103 167 - CG_GB1_12 C_GB1_20 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 171 + CG_GB1_12 N_GB1_20 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 103 167 + CG_GB1_12 C_GB1_20 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 171 CG_GB1_12 O_GB1_20 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 103 172 - CG_GB1_12 N_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 103 173 - CG_GB1_12 C_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 179 + CG_GB1_12 N_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 103 173 + CG_GB1_12 C_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 179 CG_GB1_12 O_GB1_21 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 103 180 - CG_GB1_12 N_GB1_22 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 103 181 - CG_GB1_12 CG_GB1_22 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 185 - CG_GB1_12 OD1_GB1_22 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 103 186 - CG_GB1_12 OD2_GB1_22 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 103 187 - CG_GB1_12 C_GB1_22 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 188 + CG_GB1_12 N_GB1_22 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 103 181 + CG_GB1_12 CG_GB1_22 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 185 + CG_GB1_12 OD1_GB1_22 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 103 186 + CG_GB1_12 OD2_GB1_22 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 103 187 + CG_GB1_12 C_GB1_22 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 188 CG_GB1_12 O_GB1_22 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 103 189 - CG_GB1_12 N_GB1_23 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 103 190 - CG_GB1_12 C_GB1_23 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 194 + CG_GB1_12 N_GB1_23 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 103 190 + CG_GB1_12 C_GB1_23 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 194 CG_GB1_12 O_GB1_23 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 103 195 - CG_GB1_12 N_GB1_24 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 103 196 - CG_GB1_12 C_GB1_24 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 200 + CG_GB1_12 N_GB1_24 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 103 196 + CG_GB1_12 C_GB1_24 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 200 CG_GB1_12 O_GB1_24 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 103 201 - CG_GB1_12 N_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 103 202 - CG_GB1_12 OG1_GB1_25 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 103 206 - CG_GB1_12 C_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 208 + CG_GB1_12 N_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 103 202 + CG_GB1_12 OG1_GB1_25 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 103 206 + CG_GB1_12 C_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 208 CG_GB1_12 O_GB1_25 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 103 209 - CG_GB1_12 N_GB1_26 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 103 210 - CG_GB1_12 C_GB1_26 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 214 + CG_GB1_12 N_GB1_26 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 103 210 + CG_GB1_12 C_GB1_26 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 214 CG_GB1_12 O_GB1_26 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 103 215 - CG_GB1_12 N_GB1_27 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 103 216 - CG_GB1_12 CD_GB1_27 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 221 - CG_GB1_12 OE1_GB1_27 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 103 222 - CG_GB1_12 OE2_GB1_27 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 103 223 - CG_GB1_12 C_GB1_27 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 224 + CG_GB1_12 N_GB1_27 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 103 216 + CG_GB1_12 CD_GB1_27 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 221 + CG_GB1_12 OE1_GB1_27 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 103 222 + CG_GB1_12 OE2_GB1_27 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 103 223 + CG_GB1_12 C_GB1_27 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 224 CG_GB1_12 O_GB1_27 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 103 225 - CG_GB1_12 N_GB1_28 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 103 226 - CG_GB1_12 NZ_GB1_28 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 103 233 - CG_GB1_12 C_GB1_28 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 234 + CG_GB1_12 N_GB1_28 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 103 226 + CG_GB1_12 NZ_GB1_28 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 103 233 + CG_GB1_12 C_GB1_28 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 234 CG_GB1_12 O_GB1_28 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 103 235 - CG_GB1_12 N_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 103 236 - CG_GB1_12 C_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 242 + CG_GB1_12 N_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 103 236 + CG_GB1_12 C_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 242 CG_GB1_12 O_GB1_29 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 103 243 - CG_GB1_12 N_GB1_30 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 103 244 - CG_GB1_12 C_GB1_30 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 254 + CG_GB1_12 N_GB1_30 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 103 244 + CG_GB1_12 C_GB1_30 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 254 CG_GB1_12 O_GB1_30 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 103 255 - CG_GB1_12 N_GB1_31 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 103 256 - CG_GB1_12 NZ_GB1_31 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 103 263 - CG_GB1_12 C_GB1_31 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 264 + CG_GB1_12 N_GB1_31 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 103 256 + CG_GB1_12 NZ_GB1_31 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 103 263 + CG_GB1_12 C_GB1_31 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 264 CG_GB1_12 O_GB1_31 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 103 265 - CG_GB1_12 N_GB1_32 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 103 266 - CG_GB1_12 CD_GB1_32 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 271 + CG_GB1_12 N_GB1_32 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 103 266 + CG_GB1_12 CD_GB1_32 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 271 CG_GB1_12 OE1_GB1_32 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 103 272 - CG_GB1_12 NE2_GB1_32 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 103 273 - CG_GB1_12 C_GB1_32 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 274 + CG_GB1_12 NE2_GB1_32 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 103 273 + CG_GB1_12 C_GB1_32 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 274 CG_GB1_12 O_GB1_32 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 103 275 - CG_GB1_12 N_GB1_33 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 103 276 - CG_GB1_12 OH_GB1_33 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 103 286 - CG_GB1_12 C_GB1_33 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 287 + CG_GB1_12 N_GB1_33 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 103 276 + CG_GB1_12 OH_GB1_33 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 103 286 + CG_GB1_12 C_GB1_33 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 287 CG_GB1_12 O_GB1_33 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 103 288 - CG_GB1_12 N_GB1_34 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 103 289 - CG_GB1_12 C_GB1_34 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 293 + CG_GB1_12 N_GB1_34 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 103 289 + CG_GB1_12 C_GB1_34 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 293 CG_GB1_12 O_GB1_34 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 103 294 - CG_GB1_12 N_GB1_35 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 103 295 - CG_GB1_12 CG_GB1_35 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 299 + CG_GB1_12 N_GB1_35 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 103 295 + CG_GB1_12 CG_GB1_35 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 299 CG_GB1_12 OD1_GB1_35 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 103 300 - CG_GB1_12 ND2_GB1_35 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 103 301 - CG_GB1_12 C_GB1_35 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 302 + CG_GB1_12 ND2_GB1_35 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 103 301 + CG_GB1_12 C_GB1_35 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 302 CG_GB1_12 O_GB1_35 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 103 303 - CG_GB1_12 N_GB1_36 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 103 304 - CG_GB1_12 CG_GB1_36 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 308 - CG_GB1_12 OD1_GB1_36 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 103 309 - CG_GB1_12 OD2_GB1_36 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 103 310 - CG_GB1_12 C_GB1_36 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 311 + CG_GB1_12 N_GB1_36 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 103 304 + CG_GB1_12 CG_GB1_36 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 308 + CG_GB1_12 OD1_GB1_36 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 103 309 + CG_GB1_12 OD2_GB1_36 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 103 310 + CG_GB1_12 C_GB1_36 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 311 CG_GB1_12 O_GB1_36 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 103 312 - CG_GB1_12 N_GB1_37 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 103 313 - CG_GB1_12 CG_GB1_37 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 317 + CG_GB1_12 N_GB1_37 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 103 313 + CG_GB1_12 CG_GB1_37 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 317 CG_GB1_12 OD1_GB1_37 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 103 318 - CG_GB1_12 ND2_GB1_37 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 103 319 - CG_GB1_12 C_GB1_37 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 320 + CG_GB1_12 ND2_GB1_37 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 103 319 + CG_GB1_12 C_GB1_37 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 320 CG_GB1_12 O_GB1_37 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 103 321 - CG_GB1_12 N_GB1_38 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 103 322 - CG_GB1_12 C_GB1_38 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 325 + CG_GB1_12 N_GB1_38 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 103 322 + CG_GB1_12 C_GB1_38 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 325 CG_GB1_12 O_GB1_38 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 103 326 - CG_GB1_12 N_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 103 327 - CG_GB1_12 C_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 333 + CG_GB1_12 N_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 103 327 + CG_GB1_12 C_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 333 CG_GB1_12 O_GB1_39 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 103 334 - CG_GB1_12 N_GB1_40 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 103 335 - CG_GB1_12 CG_GB1_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 339 - CG_GB1_12 OD1_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 103 340 - CG_GB1_12 OD2_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 103 341 - CG_GB1_12 C_GB1_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 342 + CG_GB1_12 N_GB1_40 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 103 335 + CG_GB1_12 CG_GB1_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 339 + CG_GB1_12 OD1_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 103 340 + CG_GB1_12 OD2_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 103 341 + CG_GB1_12 C_GB1_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 342 CG_GB1_12 O_GB1_40 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 103 343 - CG_GB1_12 N_GB1_41 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 103 344 - CG_GB1_12 C_GB1_41 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 347 + CG_GB1_12 N_GB1_41 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 103 344 + CG_GB1_12 C_GB1_41 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 347 CG_GB1_12 O_GB1_41 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 103 348 - CG_GB1_12 N_GB1_42 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 103 349 - CG_GB1_12 CD_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 354 - CG_GB1_12 OE1_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 103 355 - CG_GB1_12 OE2_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 103 356 - CG_GB1_12 C_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 357 + CG_GB1_12 N_GB1_42 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 103 349 + CG_GB1_12 CD_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 354 + CG_GB1_12 OE1_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 103 355 + CG_GB1_12 OE2_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 103 356 + CG_GB1_12 C_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 357 CG_GB1_12 O_GB1_42 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 103 358 - CG_GB1_12 N_GB1_43 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 103 359 - CG_GB1_12 NE1_GB1_43 1 0.000000e+00 9.937288e-06 ; 8.853117e-06 -9.937288e-06 1.0 1.0 1.0 1.0 False mg 7 103 366 - CG_GB1_12 C_GB1_43 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 372 + CG_GB1_12 N_GB1_43 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 103 359 + CG_GB1_12 NE1_GB1_43 1 0.000000e+00 9.937231e-06 ; 8.853066e-06 -9.937231e-06 1.0 1.0 1.0 1.0 False mg 7 103 366 + CG_GB1_12 C_GB1_43 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 372 CG_GB1_12 O_GB1_43 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 103 373 - CG_GB1_12 N_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 103 374 - CG_GB1_12 OG1_GB1_44 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 103 378 - CG_GB1_12 C_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 380 + CG_GB1_12 N_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 103 374 + CG_GB1_12 OG1_GB1_44 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 103 378 + CG_GB1_12 C_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 380 CG_GB1_12 O_GB1_44 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 103 381 - CG_GB1_12 N_GB1_45 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 103 382 - CG_GB1_12 OH_GB1_45 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 103 392 - CG_GB1_12 C_GB1_45 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 393 + CG_GB1_12 N_GB1_45 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 103 382 + CG_GB1_12 OH_GB1_45 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 103 392 + CG_GB1_12 C_GB1_45 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 393 CG_GB1_12 O_GB1_45 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 103 394 - CG_GB1_12 N_GB1_46 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 103 395 - CG_GB1_12 CG_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 399 - CG_GB1_12 OD1_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 103 400 - CG_GB1_12 OD2_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 103 401 - CG_GB1_12 C_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 402 + CG_GB1_12 N_GB1_46 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 103 395 + CG_GB1_12 CG_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 399 + CG_GB1_12 OD1_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 103 400 + CG_GB1_12 OD2_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 103 401 + CG_GB1_12 C_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 402 CG_GB1_12 O_GB1_46 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 103 403 - CG_GB1_12 N_GB1_47 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 103 404 - CG_GB1_12 CG_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 408 - CG_GB1_12 OD1_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 103 409 - CG_GB1_12 OD2_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 103 410 - CG_GB1_12 C_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 411 + CG_GB1_12 N_GB1_47 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 103 404 + CG_GB1_12 CG_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 408 + CG_GB1_12 OD1_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 103 409 + CG_GB1_12 OD2_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 103 410 + CG_GB1_12 C_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 411 CG_GB1_12 O_GB1_47 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 103 412 - CG_GB1_12 N_GB1_48 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 103 413 - CG_GB1_12 C_GB1_48 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 417 + CG_GB1_12 N_GB1_48 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 103 413 + CG_GB1_12 C_GB1_48 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 417 CG_GB1_12 O_GB1_48 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 103 418 - CG_GB1_12 N_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 103 419 - CG_GB1_12 OG1_GB1_49 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 103 423 - CG_GB1_12 C_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 425 + CG_GB1_12 N_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 103 419 + CG_GB1_12 OG1_GB1_49 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 103 423 + CG_GB1_12 C_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 425 CG_GB1_12 O_GB1_49 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 103 426 - CG_GB1_12 N_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 103 427 - CG_GB1_12 NZ_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 103 434 - CG_GB1_12 C_GB1_50 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 435 + CG_GB1_12 N_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 103 427 + CG_GB1_12 NZ_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 103 434 + CG_GB1_12 C_GB1_50 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 435 CG_GB1_12 O_GB1_50 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 103 436 - CG_GB1_12 N_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 103 437 - CG_GB1_12 OG1_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 103 441 - CG_GB1_12 C_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 443 + CG_GB1_12 N_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 103 437 + CG_GB1_12 OG1_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 103 441 + CG_GB1_12 C_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 443 CG_GB1_12 O_GB1_51 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 103 444 - CG_GB1_12 N_GB1_52 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 103 445 - CG_GB1_12 C_GB1_52 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 455 + CG_GB1_12 N_GB1_52 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 103 445 + CG_GB1_12 C_GB1_52 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 455 CG_GB1_12 O_GB1_52 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 103 456 - CG_GB1_12 N_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 103 457 - CG_GB1_12 OG1_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 103 461 - CG_GB1_12 C_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 463 + CG_GB1_12 N_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 103 457 + CG_GB1_12 OG1_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 103 461 + CG_GB1_12 C_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 463 CG_GB1_12 O_GB1_53 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 103 464 - CG_GB1_12 N_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 103 465 - CG_GB1_12 C_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 471 + CG_GB1_12 N_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 103 465 + CG_GB1_12 C_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 471 CG_GB1_12 O_GB1_54 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 103 472 - CG_GB1_12 N_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 103 473 - CG_GB1_12 OG1_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 103 477 - CG_GB1_12 C_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 479 + CG_GB1_12 N_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 103 473 + CG_GB1_12 OG1_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 103 477 + CG_GB1_12 C_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 479 CG_GB1_12 O_GB1_55 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 103 480 - CG_GB1_12 N_GB1_56 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 103 481 - CG_GB1_12 CD_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 486 - CG_GB1_12 OE1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 103 487 - CG_GB1_12 OE2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 103 488 - CG_GB1_12 C_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 103 489 - CG_GB1_12 O1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 103 490 - CG_GB1_12 O2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 103 491 -CD1_GB1_12 C_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 106 + CG_GB1_12 N_GB1_56 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 103 481 + CG_GB1_12 CD_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 486 + CG_GB1_12 OE1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 103 487 + CG_GB1_12 OE2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 103 488 + CG_GB1_12 C_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 103 489 + CG_GB1_12 O1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 103 490 + CG_GB1_12 O2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 103 491 +CD1_GB1_12 C_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 106 CD1_GB1_12 O_GB1_12 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 104 107 -CD1_GB1_12 N_GB1_13 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 104 108 -CD1_GB1_12 NZ_GB1_13 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 104 115 -CD1_GB1_12 C_GB1_13 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 116 +CD1_GB1_12 N_GB1_13 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 104 108 +CD1_GB1_12 NZ_GB1_13 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 104 115 +CD1_GB1_12 C_GB1_13 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 116 CD1_GB1_12 O_GB1_13 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 104 117 -CD1_GB1_12 N_GB1_14 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 104 118 -CD1_GB1_12 C_GB1_14 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 121 +CD1_GB1_12 N_GB1_14 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 104 118 +CD1_GB1_12 C_GB1_14 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 121 CD1_GB1_12 O_GB1_14 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 104 122 -CD1_GB1_12 N_GB1_15 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 104 123 -CD1_GB1_12 CD_GB1_15 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 128 +CD1_GB1_12 N_GB1_15 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 104 123 +CD1_GB1_12 CD_GB1_15 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 128 CD1_GB1_12 OE1_GB1_15 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 104 129 CD1_GB1_12 OE2_GB1_15 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 104 130 -CD1_GB1_12 C_GB1_15 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 131 +CD1_GB1_12 C_GB1_15 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 131 CD1_GB1_12 O_GB1_15 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 104 132 -CD1_GB1_12 N_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 104 133 -CD1_GB1_12 OG1_GB1_16 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 104 137 -CD1_GB1_12 C_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 139 +CD1_GB1_12 N_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 104 133 +CD1_GB1_12 OG1_GB1_16 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 104 137 +CD1_GB1_12 C_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 139 CD1_GB1_12 O_GB1_16 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 104 140 -CD1_GB1_12 N_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 104 141 -CD1_GB1_12 OG1_GB1_17 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 104 145 -CD1_GB1_12 C_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 147 +CD1_GB1_12 N_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 104 141 +CD1_GB1_12 OG1_GB1_17 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 104 145 +CD1_GB1_12 C_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 147 CD1_GB1_12 O_GB1_17 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 104 148 -CD1_GB1_12 N_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 104 149 -CD1_GB1_12 OG1_GB1_18 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 104 153 -CD1_GB1_12 C_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 155 +CD1_GB1_12 N_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 104 149 +CD1_GB1_12 OG1_GB1_18 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 104 153 +CD1_GB1_12 C_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 155 CD1_GB1_12 O_GB1_18 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 104 156 -CD1_GB1_12 N_GB1_19 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 104 157 -CD1_GB1_12 CD_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 162 +CD1_GB1_12 N_GB1_19 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 104 157 +CD1_GB1_12 CD_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 162 CD1_GB1_12 OE1_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 104 163 CD1_GB1_12 OE2_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 104 164 -CD1_GB1_12 C_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 165 +CD1_GB1_12 C_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 165 CD1_GB1_12 O_GB1_19 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 104 166 -CD1_GB1_12 N_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 104 167 -CD1_GB1_12 C_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 171 +CD1_GB1_12 N_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 104 167 +CD1_GB1_12 C_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 171 CD1_GB1_12 O_GB1_20 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 104 172 -CD1_GB1_12 N_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 104 173 -CD1_GB1_12 C_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 179 +CD1_GB1_12 N_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 104 173 +CD1_GB1_12 C_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 179 CD1_GB1_12 O_GB1_21 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 104 180 -CD1_GB1_12 N_GB1_22 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 104 181 -CD1_GB1_12 CG_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 185 +CD1_GB1_12 N_GB1_22 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 104 181 +CD1_GB1_12 CG_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 185 CD1_GB1_12 OD1_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 104 186 CD1_GB1_12 OD2_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 104 187 -CD1_GB1_12 C_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 188 +CD1_GB1_12 C_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 188 CD1_GB1_12 O_GB1_22 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 104 189 -CD1_GB1_12 N_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 104 190 -CD1_GB1_12 C_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 194 +CD1_GB1_12 N_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 104 190 +CD1_GB1_12 C_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 194 CD1_GB1_12 O_GB1_23 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 104 195 -CD1_GB1_12 N_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 104 196 -CD1_GB1_12 C_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 200 +CD1_GB1_12 N_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 104 196 +CD1_GB1_12 C_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 200 CD1_GB1_12 O_GB1_24 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 104 201 -CD1_GB1_12 N_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 104 202 -CD1_GB1_12 OG1_GB1_25 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 104 206 -CD1_GB1_12 C_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 208 +CD1_GB1_12 N_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 104 202 +CD1_GB1_12 OG1_GB1_25 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 104 206 +CD1_GB1_12 C_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 208 CD1_GB1_12 O_GB1_25 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 104 209 -CD1_GB1_12 N_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 104 210 -CD1_GB1_12 C_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 214 +CD1_GB1_12 N_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 104 210 +CD1_GB1_12 C_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 214 CD1_GB1_12 O_GB1_26 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 104 215 -CD1_GB1_12 N_GB1_27 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 104 216 -CD1_GB1_12 CD_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 221 +CD1_GB1_12 N_GB1_27 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 104 216 +CD1_GB1_12 CD_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 221 CD1_GB1_12 OE1_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 104 222 CD1_GB1_12 OE2_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 104 223 -CD1_GB1_12 C_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 224 +CD1_GB1_12 C_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 224 CD1_GB1_12 O_GB1_27 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 104 225 -CD1_GB1_12 N_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 104 226 -CD1_GB1_12 NZ_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 104 233 -CD1_GB1_12 C_GB1_28 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 234 +CD1_GB1_12 N_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 104 226 +CD1_GB1_12 NZ_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 104 233 +CD1_GB1_12 C_GB1_28 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 234 CD1_GB1_12 O_GB1_28 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 104 235 -CD1_GB1_12 N_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 104 236 -CD1_GB1_12 C_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 242 +CD1_GB1_12 N_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 104 236 +CD1_GB1_12 C_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 242 CD1_GB1_12 O_GB1_29 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 104 243 -CD1_GB1_12 N_GB1_30 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 104 244 -CD1_GB1_12 C_GB1_30 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 254 +CD1_GB1_12 N_GB1_30 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 104 244 +CD1_GB1_12 C_GB1_30 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 254 CD1_GB1_12 O_GB1_30 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 104 255 -CD1_GB1_12 N_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 104 256 -CD1_GB1_12 NZ_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 104 263 -CD1_GB1_12 C_GB1_31 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 264 +CD1_GB1_12 N_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 104 256 +CD1_GB1_12 NZ_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 104 263 +CD1_GB1_12 C_GB1_31 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 264 CD1_GB1_12 O_GB1_31 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 104 265 -CD1_GB1_12 N_GB1_32 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 104 266 -CD1_GB1_12 CD_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 271 +CD1_GB1_12 N_GB1_32 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 104 266 +CD1_GB1_12 CD_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 271 CD1_GB1_12 OE1_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 104 272 -CD1_GB1_12 NE2_GB1_32 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 104 273 -CD1_GB1_12 C_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 274 +CD1_GB1_12 NE2_GB1_32 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 104 273 +CD1_GB1_12 C_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 274 CD1_GB1_12 O_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 104 275 -CD1_GB1_12 N_GB1_33 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 104 276 -CD1_GB1_12 OH_GB1_33 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 104 286 -CD1_GB1_12 C_GB1_33 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 287 +CD1_GB1_12 N_GB1_33 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 104 276 +CD1_GB1_12 OH_GB1_33 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 104 286 +CD1_GB1_12 C_GB1_33 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 287 CD1_GB1_12 O_GB1_33 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 104 288 -CD1_GB1_12 N_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 104 289 -CD1_GB1_12 C_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 293 +CD1_GB1_12 N_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 104 289 +CD1_GB1_12 C_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 293 CD1_GB1_12 O_GB1_34 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 104 294 -CD1_GB1_12 N_GB1_35 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 104 295 -CD1_GB1_12 CG_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 299 +CD1_GB1_12 N_GB1_35 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 104 295 +CD1_GB1_12 CG_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 299 CD1_GB1_12 OD1_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 104 300 -CD1_GB1_12 ND2_GB1_35 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 104 301 -CD1_GB1_12 C_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 302 +CD1_GB1_12 ND2_GB1_35 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 104 301 +CD1_GB1_12 C_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 302 CD1_GB1_12 O_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 104 303 -CD1_GB1_12 N_GB1_36 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 104 304 -CD1_GB1_12 CG_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 308 +CD1_GB1_12 N_GB1_36 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 104 304 +CD1_GB1_12 CG_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 308 CD1_GB1_12 OD1_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 104 309 CD1_GB1_12 OD2_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 104 310 -CD1_GB1_12 C_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 311 +CD1_GB1_12 C_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 311 CD1_GB1_12 O_GB1_36 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 104 312 -CD1_GB1_12 N_GB1_37 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 104 313 -CD1_GB1_12 CG_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 317 +CD1_GB1_12 N_GB1_37 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 104 313 +CD1_GB1_12 CG_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 317 CD1_GB1_12 OD1_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 104 318 -CD1_GB1_12 ND2_GB1_37 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 104 319 -CD1_GB1_12 C_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 320 +CD1_GB1_12 ND2_GB1_37 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 104 319 +CD1_GB1_12 C_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 320 CD1_GB1_12 O_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 104 321 -CD1_GB1_12 N_GB1_38 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 104 322 -CD1_GB1_12 C_GB1_38 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 325 +CD1_GB1_12 N_GB1_38 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 104 322 +CD1_GB1_12 C_GB1_38 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 325 CD1_GB1_12 O_GB1_38 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 104 326 -CD1_GB1_12 N_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 104 327 -CD1_GB1_12 C_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 333 +CD1_GB1_12 N_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 104 327 +CD1_GB1_12 C_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 333 CD1_GB1_12 O_GB1_39 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 104 334 -CD1_GB1_12 N_GB1_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 104 335 -CD1_GB1_12 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 339 +CD1_GB1_12 N_GB1_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 104 335 +CD1_GB1_12 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 339 CD1_GB1_12 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 104 340 CD1_GB1_12 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 104 341 -CD1_GB1_12 C_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 342 +CD1_GB1_12 C_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 342 CD1_GB1_12 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 104 343 -CD1_GB1_12 N_GB1_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 104 344 -CD1_GB1_12 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 347 +CD1_GB1_12 N_GB1_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 104 344 +CD1_GB1_12 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 347 CD1_GB1_12 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 104 348 -CD1_GB1_12 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 104 349 -CD1_GB1_12 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 354 +CD1_GB1_12 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 104 349 +CD1_GB1_12 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 354 CD1_GB1_12 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 104 355 CD1_GB1_12 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 104 356 -CD1_GB1_12 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 357 +CD1_GB1_12 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 357 CD1_GB1_12 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 104 358 -CD1_GB1_12 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 104 359 -CD1_GB1_12 NE1_GB1_43 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.0 1.0 1.0 1.0 False mg 7 104 366 -CD1_GB1_12 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 372 +CD1_GB1_12 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 104 359 +CD1_GB1_12 NE1_GB1_43 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.0 1.0 1.0 1.0 False mg 7 104 366 +CD1_GB1_12 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 372 CD1_GB1_12 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 104 373 -CD1_GB1_12 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 104 374 -CD1_GB1_12 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 104 378 -CD1_GB1_12 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 380 +CD1_GB1_12 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 104 374 +CD1_GB1_12 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 104 378 +CD1_GB1_12 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 380 CD1_GB1_12 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 104 381 -CD1_GB1_12 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 104 382 -CD1_GB1_12 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 104 392 -CD1_GB1_12 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 393 +CD1_GB1_12 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 104 382 +CD1_GB1_12 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 104 392 +CD1_GB1_12 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 393 CD1_GB1_12 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 104 394 -CD1_GB1_12 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 104 395 -CD1_GB1_12 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 399 +CD1_GB1_12 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 104 395 +CD1_GB1_12 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 399 CD1_GB1_12 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 104 400 CD1_GB1_12 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 104 401 -CD1_GB1_12 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 402 +CD1_GB1_12 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 402 CD1_GB1_12 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 104 403 -CD1_GB1_12 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 104 404 -CD1_GB1_12 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 408 +CD1_GB1_12 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 104 404 +CD1_GB1_12 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 408 CD1_GB1_12 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 104 409 CD1_GB1_12 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 104 410 -CD1_GB1_12 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 411 +CD1_GB1_12 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 411 CD1_GB1_12 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 104 412 -CD1_GB1_12 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 104 413 -CD1_GB1_12 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 417 +CD1_GB1_12 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 104 413 +CD1_GB1_12 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 417 CD1_GB1_12 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 104 418 -CD1_GB1_12 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 104 419 -CD1_GB1_12 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 104 423 -CD1_GB1_12 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 425 +CD1_GB1_12 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 104 419 +CD1_GB1_12 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 104 423 +CD1_GB1_12 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 425 CD1_GB1_12 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 104 426 -CD1_GB1_12 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 104 427 -CD1_GB1_12 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 104 434 -CD1_GB1_12 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 435 +CD1_GB1_12 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 104 427 +CD1_GB1_12 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 104 434 +CD1_GB1_12 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 435 CD1_GB1_12 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 104 436 -CD1_GB1_12 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 104 437 -CD1_GB1_12 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 104 441 -CD1_GB1_12 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 443 +CD1_GB1_12 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 104 437 +CD1_GB1_12 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 104 441 +CD1_GB1_12 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 443 CD1_GB1_12 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 104 444 -CD1_GB1_12 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 104 445 -CD1_GB1_12 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 455 +CD1_GB1_12 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 104 445 +CD1_GB1_12 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 455 CD1_GB1_12 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 104 456 -CD1_GB1_12 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 104 457 -CD1_GB1_12 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 104 461 -CD1_GB1_12 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 463 +CD1_GB1_12 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 104 457 +CD1_GB1_12 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 104 461 +CD1_GB1_12 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 463 CD1_GB1_12 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 104 464 -CD1_GB1_12 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 104 465 -CD1_GB1_12 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 471 +CD1_GB1_12 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 104 465 +CD1_GB1_12 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 471 CD1_GB1_12 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 104 472 -CD1_GB1_12 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 104 473 -CD1_GB1_12 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 104 477 -CD1_GB1_12 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 479 +CD1_GB1_12 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 104 473 +CD1_GB1_12 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 104 477 +CD1_GB1_12 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 479 CD1_GB1_12 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 104 480 -CD1_GB1_12 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 104 481 -CD1_GB1_12 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 486 +CD1_GB1_12 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 104 481 +CD1_GB1_12 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 486 CD1_GB1_12 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 104 487 CD1_GB1_12 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 104 488 -CD1_GB1_12 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 104 489 +CD1_GB1_12 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 104 489 CD1_GB1_12 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 104 490 CD1_GB1_12 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 104 491 -CD2_GB1_12 C_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 106 +CD2_GB1_12 C_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 106 CD2_GB1_12 O_GB1_12 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 105 107 -CD2_GB1_12 N_GB1_13 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 105 108 -CD2_GB1_12 NZ_GB1_13 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 105 115 -CD2_GB1_12 C_GB1_13 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 116 +CD2_GB1_12 N_GB1_13 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 105 108 +CD2_GB1_12 NZ_GB1_13 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 105 115 +CD2_GB1_12 C_GB1_13 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 116 CD2_GB1_12 O_GB1_13 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 105 117 -CD2_GB1_12 N_GB1_14 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 105 118 -CD2_GB1_12 C_GB1_14 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 121 +CD2_GB1_12 N_GB1_14 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 105 118 +CD2_GB1_12 C_GB1_14 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 121 CD2_GB1_12 O_GB1_14 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 105 122 -CD2_GB1_12 N_GB1_15 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 105 123 -CD2_GB1_12 CD_GB1_15 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 128 +CD2_GB1_12 N_GB1_15 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 105 123 +CD2_GB1_12 CD_GB1_15 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 128 CD2_GB1_12 OE1_GB1_15 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 105 129 CD2_GB1_12 OE2_GB1_15 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 105 130 -CD2_GB1_12 C_GB1_15 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 131 +CD2_GB1_12 C_GB1_15 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 131 CD2_GB1_12 O_GB1_15 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 105 132 -CD2_GB1_12 N_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 105 133 -CD2_GB1_12 OG1_GB1_16 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 105 137 -CD2_GB1_12 C_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 139 +CD2_GB1_12 N_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 105 133 +CD2_GB1_12 OG1_GB1_16 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 105 137 +CD2_GB1_12 C_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 139 CD2_GB1_12 O_GB1_16 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 105 140 -CD2_GB1_12 N_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 105 141 -CD2_GB1_12 OG1_GB1_17 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 105 145 -CD2_GB1_12 C_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 147 +CD2_GB1_12 N_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 105 141 +CD2_GB1_12 OG1_GB1_17 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 105 145 +CD2_GB1_12 C_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 147 CD2_GB1_12 O_GB1_17 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 105 148 -CD2_GB1_12 N_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 105 149 -CD2_GB1_12 OG1_GB1_18 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 105 153 -CD2_GB1_12 C_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 155 +CD2_GB1_12 N_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 105 149 +CD2_GB1_12 OG1_GB1_18 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 105 153 +CD2_GB1_12 C_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 155 CD2_GB1_12 O_GB1_18 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 105 156 -CD2_GB1_12 N_GB1_19 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 105 157 -CD2_GB1_12 CD_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 162 +CD2_GB1_12 N_GB1_19 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 105 157 +CD2_GB1_12 CD_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 162 CD2_GB1_12 OE1_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 105 163 CD2_GB1_12 OE2_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 105 164 -CD2_GB1_12 C_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 165 +CD2_GB1_12 C_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 165 CD2_GB1_12 O_GB1_19 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 105 166 -CD2_GB1_12 N_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 105 167 -CD2_GB1_12 C_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 171 +CD2_GB1_12 N_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 105 167 +CD2_GB1_12 C_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 171 CD2_GB1_12 O_GB1_20 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 105 172 -CD2_GB1_12 N_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 105 173 -CD2_GB1_12 C_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 179 +CD2_GB1_12 N_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 105 173 +CD2_GB1_12 C_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 179 CD2_GB1_12 O_GB1_21 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 105 180 -CD2_GB1_12 N_GB1_22 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 105 181 -CD2_GB1_12 CG_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 185 +CD2_GB1_12 N_GB1_22 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 105 181 +CD2_GB1_12 CG_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 185 CD2_GB1_12 OD1_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 105 186 CD2_GB1_12 OD2_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 105 187 -CD2_GB1_12 C_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 188 +CD2_GB1_12 C_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 188 CD2_GB1_12 O_GB1_22 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 105 189 -CD2_GB1_12 N_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 105 190 -CD2_GB1_12 C_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 194 +CD2_GB1_12 N_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 105 190 +CD2_GB1_12 C_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 194 CD2_GB1_12 O_GB1_23 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 105 195 -CD2_GB1_12 N_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 105 196 -CD2_GB1_12 C_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 200 +CD2_GB1_12 N_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 105 196 +CD2_GB1_12 C_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 200 CD2_GB1_12 O_GB1_24 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 105 201 -CD2_GB1_12 N_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 105 202 -CD2_GB1_12 OG1_GB1_25 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 105 206 -CD2_GB1_12 C_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 208 +CD2_GB1_12 N_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 105 202 +CD2_GB1_12 OG1_GB1_25 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 105 206 +CD2_GB1_12 C_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 208 CD2_GB1_12 O_GB1_25 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 105 209 -CD2_GB1_12 N_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 105 210 -CD2_GB1_12 C_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 214 +CD2_GB1_12 N_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 105 210 +CD2_GB1_12 C_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 214 CD2_GB1_12 O_GB1_26 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 105 215 -CD2_GB1_12 N_GB1_27 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 105 216 -CD2_GB1_12 CD_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 221 +CD2_GB1_12 N_GB1_27 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 105 216 +CD2_GB1_12 CD_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 221 CD2_GB1_12 OE1_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 105 222 CD2_GB1_12 OE2_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 105 223 -CD2_GB1_12 C_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 224 +CD2_GB1_12 C_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 224 CD2_GB1_12 O_GB1_27 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 105 225 -CD2_GB1_12 N_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 105 226 -CD2_GB1_12 NZ_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 105 233 -CD2_GB1_12 C_GB1_28 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 234 +CD2_GB1_12 N_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 105 226 +CD2_GB1_12 NZ_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 105 233 +CD2_GB1_12 C_GB1_28 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 234 CD2_GB1_12 O_GB1_28 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 105 235 -CD2_GB1_12 N_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 105 236 -CD2_GB1_12 C_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 242 +CD2_GB1_12 N_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 105 236 +CD2_GB1_12 C_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 242 CD2_GB1_12 O_GB1_29 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 105 243 -CD2_GB1_12 N_GB1_30 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 105 244 -CD2_GB1_12 C_GB1_30 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 254 +CD2_GB1_12 N_GB1_30 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 105 244 +CD2_GB1_12 C_GB1_30 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 254 CD2_GB1_12 O_GB1_30 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 105 255 -CD2_GB1_12 N_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 105 256 -CD2_GB1_12 NZ_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 105 263 -CD2_GB1_12 C_GB1_31 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 264 +CD2_GB1_12 N_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 105 256 +CD2_GB1_12 NZ_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 105 263 +CD2_GB1_12 C_GB1_31 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 264 CD2_GB1_12 O_GB1_31 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 105 265 -CD2_GB1_12 N_GB1_32 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 105 266 -CD2_GB1_12 CD_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 271 +CD2_GB1_12 N_GB1_32 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 105 266 +CD2_GB1_12 CD_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 271 CD2_GB1_12 OE1_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 105 272 -CD2_GB1_12 NE2_GB1_32 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 105 273 -CD2_GB1_12 C_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 274 +CD2_GB1_12 NE2_GB1_32 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 105 273 +CD2_GB1_12 C_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 274 CD2_GB1_12 O_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 105 275 -CD2_GB1_12 N_GB1_33 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 105 276 -CD2_GB1_12 OH_GB1_33 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 105 286 -CD2_GB1_12 C_GB1_33 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 287 +CD2_GB1_12 N_GB1_33 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 105 276 +CD2_GB1_12 OH_GB1_33 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 105 286 +CD2_GB1_12 C_GB1_33 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 287 CD2_GB1_12 O_GB1_33 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 105 288 -CD2_GB1_12 N_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 105 289 -CD2_GB1_12 C_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 293 +CD2_GB1_12 N_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 105 289 +CD2_GB1_12 C_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 293 CD2_GB1_12 O_GB1_34 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 105 294 -CD2_GB1_12 N_GB1_35 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 105 295 -CD2_GB1_12 CG_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 299 +CD2_GB1_12 N_GB1_35 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 105 295 +CD2_GB1_12 CG_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 299 CD2_GB1_12 OD1_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 105 300 -CD2_GB1_12 ND2_GB1_35 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 105 301 -CD2_GB1_12 C_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 302 +CD2_GB1_12 ND2_GB1_35 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 105 301 +CD2_GB1_12 C_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 302 CD2_GB1_12 O_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 105 303 -CD2_GB1_12 N_GB1_36 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 105 304 -CD2_GB1_12 CG_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 308 +CD2_GB1_12 N_GB1_36 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 105 304 +CD2_GB1_12 CG_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 308 CD2_GB1_12 OD1_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 105 309 CD2_GB1_12 OD2_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 105 310 -CD2_GB1_12 C_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 311 +CD2_GB1_12 C_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 311 CD2_GB1_12 O_GB1_36 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 105 312 -CD2_GB1_12 N_GB1_37 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 105 313 -CD2_GB1_12 CG_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 317 +CD2_GB1_12 N_GB1_37 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 105 313 +CD2_GB1_12 CG_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 317 CD2_GB1_12 OD1_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 105 318 -CD2_GB1_12 ND2_GB1_37 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 105 319 -CD2_GB1_12 C_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 320 +CD2_GB1_12 ND2_GB1_37 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 105 319 +CD2_GB1_12 C_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 320 CD2_GB1_12 O_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 105 321 -CD2_GB1_12 N_GB1_38 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 105 322 -CD2_GB1_12 C_GB1_38 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 325 +CD2_GB1_12 N_GB1_38 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 105 322 +CD2_GB1_12 C_GB1_38 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 325 CD2_GB1_12 O_GB1_38 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 105 326 -CD2_GB1_12 N_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 105 327 -CD2_GB1_12 C_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 333 +CD2_GB1_12 N_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 105 327 +CD2_GB1_12 C_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 333 CD2_GB1_12 O_GB1_39 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 105 334 -CD2_GB1_12 N_GB1_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 105 335 -CD2_GB1_12 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 339 +CD2_GB1_12 N_GB1_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 105 335 +CD2_GB1_12 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 339 CD2_GB1_12 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 105 340 CD2_GB1_12 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 105 341 -CD2_GB1_12 C_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 342 +CD2_GB1_12 C_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 342 CD2_GB1_12 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 105 343 -CD2_GB1_12 N_GB1_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 105 344 -CD2_GB1_12 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 347 +CD2_GB1_12 N_GB1_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 105 344 +CD2_GB1_12 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 347 CD2_GB1_12 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 105 348 -CD2_GB1_12 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 105 349 -CD2_GB1_12 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 354 +CD2_GB1_12 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 105 349 +CD2_GB1_12 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 354 CD2_GB1_12 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 105 355 CD2_GB1_12 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 105 356 -CD2_GB1_12 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 357 +CD2_GB1_12 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 357 CD2_GB1_12 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 105 358 -CD2_GB1_12 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 105 359 -CD2_GB1_12 NE1_GB1_43 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.0 1.0 1.0 1.0 False mg 7 105 366 -CD2_GB1_12 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 372 +CD2_GB1_12 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 105 359 +CD2_GB1_12 NE1_GB1_43 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.0 1.0 1.0 1.0 False mg 7 105 366 +CD2_GB1_12 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 372 CD2_GB1_12 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 105 373 -CD2_GB1_12 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 105 374 -CD2_GB1_12 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 105 378 -CD2_GB1_12 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 380 +CD2_GB1_12 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 105 374 +CD2_GB1_12 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 105 378 +CD2_GB1_12 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 380 CD2_GB1_12 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 105 381 -CD2_GB1_12 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 105 382 -CD2_GB1_12 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 105 392 -CD2_GB1_12 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 393 +CD2_GB1_12 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 105 382 +CD2_GB1_12 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 105 392 +CD2_GB1_12 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 393 CD2_GB1_12 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 105 394 -CD2_GB1_12 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 105 395 -CD2_GB1_12 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 399 +CD2_GB1_12 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 105 395 +CD2_GB1_12 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 399 CD2_GB1_12 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 105 400 CD2_GB1_12 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 105 401 -CD2_GB1_12 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 402 +CD2_GB1_12 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 402 CD2_GB1_12 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 105 403 -CD2_GB1_12 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 105 404 -CD2_GB1_12 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 408 +CD2_GB1_12 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 105 404 +CD2_GB1_12 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 408 CD2_GB1_12 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 105 409 CD2_GB1_12 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 105 410 -CD2_GB1_12 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 411 +CD2_GB1_12 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 411 CD2_GB1_12 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 105 412 -CD2_GB1_12 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 105 413 -CD2_GB1_12 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 417 +CD2_GB1_12 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 105 413 +CD2_GB1_12 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 417 CD2_GB1_12 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 105 418 -CD2_GB1_12 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 105 419 -CD2_GB1_12 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 105 423 -CD2_GB1_12 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 425 +CD2_GB1_12 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 105 419 +CD2_GB1_12 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 105 423 +CD2_GB1_12 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 425 CD2_GB1_12 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 105 426 -CD2_GB1_12 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 105 427 -CD2_GB1_12 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 105 434 -CD2_GB1_12 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 435 +CD2_GB1_12 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 105 427 +CD2_GB1_12 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 105 434 +CD2_GB1_12 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 435 CD2_GB1_12 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 105 436 -CD2_GB1_12 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 105 437 -CD2_GB1_12 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 105 441 -CD2_GB1_12 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 443 +CD2_GB1_12 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 105 437 +CD2_GB1_12 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 105 441 +CD2_GB1_12 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 443 CD2_GB1_12 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 105 444 -CD2_GB1_12 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 105 445 -CD2_GB1_12 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 455 +CD2_GB1_12 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 105 445 +CD2_GB1_12 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 455 CD2_GB1_12 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 105 456 -CD2_GB1_12 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 105 457 -CD2_GB1_12 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 105 461 -CD2_GB1_12 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 463 +CD2_GB1_12 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 105 457 +CD2_GB1_12 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 105 461 +CD2_GB1_12 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 463 CD2_GB1_12 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 105 464 -CD2_GB1_12 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 105 465 -CD2_GB1_12 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 471 +CD2_GB1_12 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 105 465 +CD2_GB1_12 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 471 CD2_GB1_12 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 105 472 -CD2_GB1_12 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 105 473 -CD2_GB1_12 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 105 477 -CD2_GB1_12 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 479 +CD2_GB1_12 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 105 473 +CD2_GB1_12 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 105 477 +CD2_GB1_12 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 479 CD2_GB1_12 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 105 480 -CD2_GB1_12 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 105 481 -CD2_GB1_12 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 486 +CD2_GB1_12 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 105 481 +CD2_GB1_12 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 486 CD2_GB1_12 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 105 487 CD2_GB1_12 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 105 488 -CD2_GB1_12 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 105 489 +CD2_GB1_12 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 105 489 CD2_GB1_12 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 105 490 CD2_GB1_12 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 105 491 - C_GB1_12 CB_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 106 111 - C_GB1_12 CG_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 106 112 - C_GB1_12 CD_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 106 113 - C_GB1_12 CE_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 106 114 - C_GB1_12 CA_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 106 120 - C_GB1_12 CB_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 106 126 - C_GB1_12 CG_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 106 127 - C_GB1_12 CB_GB1_16 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 106 136 - C_GB1_12 CG2_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 106 138 - C_GB1_12 CB_GB1_17 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 106 144 - C_GB1_12 CG2_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 106 146 - C_GB1_12 CB_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 106 152 - C_GB1_12 CG2_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 106 154 - C_GB1_12 CB_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 106 160 - C_GB1_12 CG_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 106 161 - C_GB1_12 CB_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 106 170 - C_GB1_12 CB_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 106 176 - C_GB1_12 CG1_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 106 177 - C_GB1_12 CG2_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 106 178 - C_GB1_12 CB_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 106 184 - C_GB1_12 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 106 193 - C_GB1_12 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 106 199 - C_GB1_12 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 106 205 - C_GB1_12 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 106 207 - C_GB1_12 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 106 213 - C_GB1_12 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 106 219 - C_GB1_12 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 106 220 - C_GB1_12 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 106 229 - C_GB1_12 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 106 230 - C_GB1_12 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 106 231 - C_GB1_12 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 106 232 - C_GB1_12 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 106 239 - C_GB1_12 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 106 240 - C_GB1_12 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 106 241 - C_GB1_12 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 106 247 - C_GB1_12 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 106 259 - C_GB1_12 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 106 260 - C_GB1_12 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 106 261 - C_GB1_12 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 106 262 - C_GB1_12 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 106 269 - C_GB1_12 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 106 270 - C_GB1_12 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 106 279 - C_GB1_12 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 106 292 - C_GB1_12 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 106 298 - C_GB1_12 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 106 307 - C_GB1_12 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 106 316 - C_GB1_12 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 106 324 - C_GB1_12 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 106 330 - C_GB1_12 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 106 331 - C_GB1_12 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 106 332 - C_GB1_12 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 106 338 - C_GB1_12 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 106 346 - C_GB1_12 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 106 352 - C_GB1_12 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 106 353 - C_GB1_12 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 106 362 - C_GB1_12 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 106 377 - C_GB1_12 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 106 379 - C_GB1_12 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 106 385 - C_GB1_12 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 106 398 - C_GB1_12 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 106 407 - C_GB1_12 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 106 416 - C_GB1_12 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 106 422 - C_GB1_12 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 106 424 - C_GB1_12 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 106 430 - C_GB1_12 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 106 431 - C_GB1_12 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 106 432 - C_GB1_12 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 106 433 - C_GB1_12 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 106 440 - C_GB1_12 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 106 442 - C_GB1_12 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 106 448 - C_GB1_12 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 106 460 - C_GB1_12 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 106 462 - C_GB1_12 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 106 468 - C_GB1_12 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 106 469 - C_GB1_12 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 106 470 - C_GB1_12 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 106 476 - C_GB1_12 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 106 478 - C_GB1_12 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 106 484 - C_GB1_12 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 106 485 + C_GB1_12 CB_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 106 111 + C_GB1_12 CG_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 106 112 + C_GB1_12 CD_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 106 113 + C_GB1_12 CE_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 106 114 + C_GB1_12 CA_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 106 120 + C_GB1_12 CB_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 106 126 + C_GB1_12 CG_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 106 127 + C_GB1_12 CB_GB1_16 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 106 136 + C_GB1_12 CG2_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 106 138 + C_GB1_12 CB_GB1_17 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 106 144 + C_GB1_12 CG2_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 106 146 + C_GB1_12 CB_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 106 152 + C_GB1_12 CG2_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 106 154 + C_GB1_12 CB_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 106 160 + C_GB1_12 CG_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 106 161 + C_GB1_12 CB_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 106 170 + C_GB1_12 CB_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 106 176 + C_GB1_12 CG1_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 106 177 + C_GB1_12 CG2_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 106 178 + C_GB1_12 CB_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 106 184 + C_GB1_12 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 106 193 + C_GB1_12 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 106 199 + C_GB1_12 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 106 205 + C_GB1_12 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 106 207 + C_GB1_12 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 106 213 + C_GB1_12 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 106 219 + C_GB1_12 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 106 220 + C_GB1_12 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 106 229 + C_GB1_12 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 106 230 + C_GB1_12 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 106 231 + C_GB1_12 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 106 232 + C_GB1_12 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 106 239 + C_GB1_12 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 106 240 + C_GB1_12 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 106 241 + C_GB1_12 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 106 247 + C_GB1_12 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 106 259 + C_GB1_12 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 106 260 + C_GB1_12 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 106 261 + C_GB1_12 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 106 262 + C_GB1_12 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 106 269 + C_GB1_12 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 106 270 + C_GB1_12 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 106 279 + C_GB1_12 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 106 292 + C_GB1_12 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 106 298 + C_GB1_12 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 106 307 + C_GB1_12 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 106 316 + C_GB1_12 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 106 324 + C_GB1_12 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 106 330 + C_GB1_12 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 106 331 + C_GB1_12 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 106 332 + C_GB1_12 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 106 338 + C_GB1_12 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 106 346 + C_GB1_12 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 106 352 + C_GB1_12 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 106 353 + C_GB1_12 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 106 362 + C_GB1_12 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 106 377 + C_GB1_12 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 106 379 + C_GB1_12 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 106 385 + C_GB1_12 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 106 398 + C_GB1_12 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 106 407 + C_GB1_12 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 106 416 + C_GB1_12 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 106 422 + C_GB1_12 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 106 424 + C_GB1_12 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 106 430 + C_GB1_12 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 106 431 + C_GB1_12 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 106 432 + C_GB1_12 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 106 433 + C_GB1_12 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 106 440 + C_GB1_12 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 106 442 + C_GB1_12 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 106 448 + C_GB1_12 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 106 460 + C_GB1_12 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 106 462 + C_GB1_12 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 106 468 + C_GB1_12 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 106 469 + C_GB1_12 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 106 470 + C_GB1_12 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 106 476 + C_GB1_12 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 106 478 + C_GB1_12 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 106 484 + C_GB1_12 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 106 485 O_GB1_12 O_GB1_12 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 107 107 O_GB1_12 H_GB1_13 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 107 109 O_GB1_12 CB_GB1_13 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 107 111 @@ -15269,85 +15269,85 @@ CD2_GB1_12 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- O_GB1_12 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 107 488 O_GB1_12 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 107 490 O_GB1_12 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 107 491 - N_GB1_13 CB_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 108 111 - N_GB1_13 CG_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 108 112 - N_GB1_13 CD_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 108 113 - N_GB1_13 CE_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 108 114 - N_GB1_13 CA_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 108 120 - N_GB1_13 CB_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 108 126 - N_GB1_13 CG_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 108 127 - N_GB1_13 CB_GB1_16 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 108 136 - N_GB1_13 CG2_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 108 138 - N_GB1_13 CB_GB1_17 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 108 144 - N_GB1_13 CG2_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 108 146 - N_GB1_13 CB_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 108 152 - N_GB1_13 CG2_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 108 154 - N_GB1_13 CB_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 108 160 - N_GB1_13 CG_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 108 161 - N_GB1_13 CB_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 108 170 - N_GB1_13 CB_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 108 176 - N_GB1_13 CG1_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 108 177 - N_GB1_13 CG2_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 108 178 - N_GB1_13 CB_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 108 184 - N_GB1_13 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 108 193 - N_GB1_13 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 108 199 - N_GB1_13 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 108 205 - N_GB1_13 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 108 207 - N_GB1_13 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 108 213 - N_GB1_13 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 108 219 - N_GB1_13 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 108 220 - N_GB1_13 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 108 229 - N_GB1_13 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 108 230 - N_GB1_13 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 108 231 - N_GB1_13 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 108 232 - N_GB1_13 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 108 239 - N_GB1_13 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 108 240 - N_GB1_13 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 108 241 - N_GB1_13 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 108 247 - N_GB1_13 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 108 259 - N_GB1_13 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 108 260 - N_GB1_13 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 108 261 - N_GB1_13 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 108 262 - N_GB1_13 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 108 269 - N_GB1_13 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 108 270 - N_GB1_13 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 108 279 - N_GB1_13 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 108 292 - N_GB1_13 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 108 298 - N_GB1_13 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 108 307 - N_GB1_13 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 108 316 - N_GB1_13 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 108 324 - N_GB1_13 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 108 330 - N_GB1_13 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 108 331 - N_GB1_13 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 108 332 - N_GB1_13 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 108 338 - N_GB1_13 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 108 346 - N_GB1_13 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 108 352 - N_GB1_13 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 108 353 - N_GB1_13 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 108 362 - N_GB1_13 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 108 377 - N_GB1_13 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 108 379 - N_GB1_13 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 108 385 - N_GB1_13 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 108 398 - N_GB1_13 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 108 407 - N_GB1_13 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 108 416 - N_GB1_13 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 108 422 - N_GB1_13 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 108 424 - N_GB1_13 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 108 430 - N_GB1_13 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 108 431 - N_GB1_13 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 108 432 - N_GB1_13 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 108 433 - N_GB1_13 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 108 440 - N_GB1_13 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 108 442 - N_GB1_13 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 108 448 - N_GB1_13 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 108 460 - N_GB1_13 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 108 462 - N_GB1_13 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 108 468 - N_GB1_13 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 108 469 - N_GB1_13 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 108 470 - N_GB1_13 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 108 476 - N_GB1_13 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 108 478 - N_GB1_13 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 108 484 - N_GB1_13 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 108 485 + N_GB1_13 CB_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 108 111 + N_GB1_13 CG_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 108 112 + N_GB1_13 CD_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 108 113 + N_GB1_13 CE_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 108 114 + N_GB1_13 CA_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 108 120 + N_GB1_13 CB_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 108 126 + N_GB1_13 CG_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 108 127 + N_GB1_13 CB_GB1_16 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 108 136 + N_GB1_13 CG2_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 108 138 + N_GB1_13 CB_GB1_17 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 108 144 + N_GB1_13 CG2_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 108 146 + N_GB1_13 CB_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 108 152 + N_GB1_13 CG2_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 108 154 + N_GB1_13 CB_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 108 160 + N_GB1_13 CG_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 108 161 + N_GB1_13 CB_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 108 170 + N_GB1_13 CB_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 108 176 + N_GB1_13 CG1_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 108 177 + N_GB1_13 CG2_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 108 178 + N_GB1_13 CB_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 108 184 + N_GB1_13 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 108 193 + N_GB1_13 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 108 199 + N_GB1_13 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 108 205 + N_GB1_13 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 108 207 + N_GB1_13 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 108 213 + N_GB1_13 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 108 219 + N_GB1_13 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 108 220 + N_GB1_13 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 108 229 + N_GB1_13 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 108 230 + N_GB1_13 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 108 231 + N_GB1_13 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 108 232 + N_GB1_13 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 108 239 + N_GB1_13 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 108 240 + N_GB1_13 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 108 241 + N_GB1_13 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 108 247 + N_GB1_13 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 108 259 + N_GB1_13 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 108 260 + N_GB1_13 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 108 261 + N_GB1_13 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 108 262 + N_GB1_13 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 108 269 + N_GB1_13 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 108 270 + N_GB1_13 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 108 279 + N_GB1_13 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 108 292 + N_GB1_13 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 108 298 + N_GB1_13 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 108 307 + N_GB1_13 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 108 316 + N_GB1_13 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 108 324 + N_GB1_13 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 108 330 + N_GB1_13 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 108 331 + N_GB1_13 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 108 332 + N_GB1_13 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 108 338 + N_GB1_13 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 108 346 + N_GB1_13 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 108 352 + N_GB1_13 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 108 353 + N_GB1_13 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 108 362 + N_GB1_13 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 108 377 + N_GB1_13 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 108 379 + N_GB1_13 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 108 385 + N_GB1_13 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 108 398 + N_GB1_13 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 108 407 + N_GB1_13 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 108 416 + N_GB1_13 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 108 422 + N_GB1_13 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 108 424 + N_GB1_13 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 108 430 + N_GB1_13 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 108 431 + N_GB1_13 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 108 432 + N_GB1_13 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 108 433 + N_GB1_13 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 108 440 + N_GB1_13 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 108 442 + N_GB1_13 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 108 448 + N_GB1_13 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 108 460 + N_GB1_13 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 108 462 + N_GB1_13 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 108 468 + N_GB1_13 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 108 469 + N_GB1_13 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 108 470 + N_GB1_13 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 108 476 + N_GB1_13 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 108 478 + N_GB1_13 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 108 484 + N_GB1_13 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 108 485 H_GB1_13 H_GB1_13 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 109 109 H_GB1_13 O_GB1_13 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 109 117 H_GB1_13 H_GB1_14 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 109 119 @@ -15471,908 +15471,908 @@ CD2_GB1_12 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- H_GB1_13 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 109 488 H_GB1_13 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 109 490 H_GB1_13 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 109 491 - CB_GB1_13 NZ_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 111 115 - CB_GB1_13 C_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 116 + CB_GB1_13 NZ_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 111 115 + CB_GB1_13 C_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 116 CB_GB1_13 O_GB1_13 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 111 117 - CB_GB1_13 N_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 111 118 - CB_GB1_13 C_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 121 + CB_GB1_13 N_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 111 118 + CB_GB1_13 C_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 121 CB_GB1_13 O_GB1_14 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 111 122 - CB_GB1_13 N_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 111 123 - CB_GB1_13 CD_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 128 - CB_GB1_13 OE1_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 111 129 - CB_GB1_13 OE2_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 111 130 - CB_GB1_13 C_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 131 + CB_GB1_13 N_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 111 123 + CB_GB1_13 CD_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 128 + CB_GB1_13 OE1_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 111 129 + CB_GB1_13 OE2_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 111 130 + CB_GB1_13 C_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 131 CB_GB1_13 O_GB1_15 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 111 132 - CB_GB1_13 N_GB1_16 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 111 133 - CB_GB1_13 OG1_GB1_16 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 111 137 - CB_GB1_13 C_GB1_16 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 139 + CB_GB1_13 N_GB1_16 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 111 133 + CB_GB1_13 OG1_GB1_16 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 111 137 + CB_GB1_13 C_GB1_16 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 139 CB_GB1_13 O_GB1_16 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 111 140 - CB_GB1_13 N_GB1_17 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 111 141 - CB_GB1_13 OG1_GB1_17 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 111 145 - CB_GB1_13 C_GB1_17 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 147 + CB_GB1_13 N_GB1_17 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 111 141 + CB_GB1_13 OG1_GB1_17 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 111 145 + CB_GB1_13 C_GB1_17 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 147 CB_GB1_13 O_GB1_17 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 111 148 - CB_GB1_13 N_GB1_18 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 111 149 - CB_GB1_13 OG1_GB1_18 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 111 153 - CB_GB1_13 C_GB1_18 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 155 + CB_GB1_13 N_GB1_18 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 111 149 + CB_GB1_13 OG1_GB1_18 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 111 153 + CB_GB1_13 C_GB1_18 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 155 CB_GB1_13 O_GB1_18 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 111 156 - CB_GB1_13 N_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 111 157 - CB_GB1_13 CD_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 162 - CB_GB1_13 OE1_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 111 163 - CB_GB1_13 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 111 164 - CB_GB1_13 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 165 + CB_GB1_13 N_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 111 157 + CB_GB1_13 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 162 + CB_GB1_13 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 111 163 + CB_GB1_13 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 111 164 + CB_GB1_13 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 165 CB_GB1_13 O_GB1_19 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 111 166 - CB_GB1_13 N_GB1_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 111 167 - CB_GB1_13 C_GB1_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 171 + CB_GB1_13 N_GB1_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 111 167 + CB_GB1_13 C_GB1_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 171 CB_GB1_13 O_GB1_20 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 111 172 - CB_GB1_13 N_GB1_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 111 173 - CB_GB1_13 C_GB1_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 179 + CB_GB1_13 N_GB1_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 111 173 + CB_GB1_13 C_GB1_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 179 CB_GB1_13 O_GB1_21 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 111 180 - CB_GB1_13 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 111 181 - CB_GB1_13 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 185 - CB_GB1_13 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 111 186 - CB_GB1_13 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 111 187 - CB_GB1_13 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 188 + CB_GB1_13 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 111 181 + CB_GB1_13 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 185 + CB_GB1_13 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 111 186 + CB_GB1_13 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 111 187 + CB_GB1_13 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 188 CB_GB1_13 O_GB1_22 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 111 189 - CB_GB1_13 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 111 190 - CB_GB1_13 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 194 + CB_GB1_13 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 111 190 + CB_GB1_13 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 194 CB_GB1_13 O_GB1_23 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 111 195 - CB_GB1_13 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 111 196 - CB_GB1_13 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 200 + CB_GB1_13 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 111 196 + CB_GB1_13 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 200 CB_GB1_13 O_GB1_24 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 111 201 - CB_GB1_13 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 111 202 - CB_GB1_13 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 111 206 - CB_GB1_13 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 208 + CB_GB1_13 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 111 202 + CB_GB1_13 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 111 206 + CB_GB1_13 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 208 CB_GB1_13 O_GB1_25 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 111 209 - CB_GB1_13 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 111 210 - CB_GB1_13 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 214 + CB_GB1_13 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 111 210 + CB_GB1_13 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 214 CB_GB1_13 O_GB1_26 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 111 215 - CB_GB1_13 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 111 216 - CB_GB1_13 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 221 - CB_GB1_13 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 111 222 - CB_GB1_13 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 111 223 - CB_GB1_13 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 224 + CB_GB1_13 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 111 216 + CB_GB1_13 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 221 + CB_GB1_13 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 111 222 + CB_GB1_13 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 111 223 + CB_GB1_13 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 224 CB_GB1_13 O_GB1_27 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 111 225 - CB_GB1_13 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 111 226 - CB_GB1_13 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 111 233 - CB_GB1_13 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 234 + CB_GB1_13 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 111 226 + CB_GB1_13 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 111 233 + CB_GB1_13 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 234 CB_GB1_13 O_GB1_28 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 111 235 - CB_GB1_13 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 111 236 - CB_GB1_13 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 242 + CB_GB1_13 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 111 236 + CB_GB1_13 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 242 CB_GB1_13 O_GB1_29 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 111 243 - CB_GB1_13 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 111 244 - CB_GB1_13 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 254 + CB_GB1_13 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 111 244 + CB_GB1_13 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 254 CB_GB1_13 O_GB1_30 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 111 255 - CB_GB1_13 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 111 256 - CB_GB1_13 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 111 263 - CB_GB1_13 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 264 + CB_GB1_13 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 111 256 + CB_GB1_13 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 111 263 + CB_GB1_13 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 264 CB_GB1_13 O_GB1_31 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 111 265 - CB_GB1_13 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 111 266 - CB_GB1_13 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 271 + CB_GB1_13 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 111 266 + CB_GB1_13 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 271 CB_GB1_13 OE1_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 111 272 - CB_GB1_13 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 111 273 - CB_GB1_13 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 274 + CB_GB1_13 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 111 273 + CB_GB1_13 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 274 CB_GB1_13 O_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 111 275 - CB_GB1_13 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 111 276 - CB_GB1_13 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 111 286 - CB_GB1_13 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 287 + CB_GB1_13 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 111 276 + CB_GB1_13 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 111 286 + CB_GB1_13 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 287 CB_GB1_13 O_GB1_33 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 111 288 - CB_GB1_13 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 111 289 - CB_GB1_13 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 293 + CB_GB1_13 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 111 289 + CB_GB1_13 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 293 CB_GB1_13 O_GB1_34 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 111 294 - CB_GB1_13 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 111 295 - CB_GB1_13 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 299 + CB_GB1_13 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 111 295 + CB_GB1_13 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 299 CB_GB1_13 OD1_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 111 300 - CB_GB1_13 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 111 301 - CB_GB1_13 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 302 + CB_GB1_13 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 111 301 + CB_GB1_13 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 302 CB_GB1_13 O_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 111 303 - CB_GB1_13 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 111 304 - CB_GB1_13 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 308 - CB_GB1_13 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 111 309 - CB_GB1_13 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 111 310 - CB_GB1_13 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 311 + CB_GB1_13 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 111 304 + CB_GB1_13 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 308 + CB_GB1_13 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 111 309 + CB_GB1_13 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 111 310 + CB_GB1_13 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 311 CB_GB1_13 O_GB1_36 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 111 312 - CB_GB1_13 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 111 313 - CB_GB1_13 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 317 + CB_GB1_13 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 111 313 + CB_GB1_13 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 317 CB_GB1_13 OD1_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 111 318 - CB_GB1_13 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 111 319 - CB_GB1_13 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 320 + CB_GB1_13 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 111 319 + CB_GB1_13 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 320 CB_GB1_13 O_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 111 321 - CB_GB1_13 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 111 322 - CB_GB1_13 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 325 + CB_GB1_13 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 111 322 + CB_GB1_13 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 325 CB_GB1_13 O_GB1_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 111 326 - CB_GB1_13 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 111 327 - CB_GB1_13 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 333 + CB_GB1_13 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 111 327 + CB_GB1_13 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 333 CB_GB1_13 O_GB1_39 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 111 334 - CB_GB1_13 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 111 335 - CB_GB1_13 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 339 - CB_GB1_13 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 111 340 - CB_GB1_13 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 111 341 - CB_GB1_13 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 342 + CB_GB1_13 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 111 335 + CB_GB1_13 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 339 + CB_GB1_13 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 111 340 + CB_GB1_13 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 111 341 + CB_GB1_13 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 342 CB_GB1_13 O_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 111 343 - CB_GB1_13 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 111 344 - CB_GB1_13 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 347 + CB_GB1_13 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 111 344 + CB_GB1_13 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 347 CB_GB1_13 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 111 348 - CB_GB1_13 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 111 349 - CB_GB1_13 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 354 - CB_GB1_13 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 111 355 - CB_GB1_13 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 111 356 - CB_GB1_13 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 357 + CB_GB1_13 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 111 349 + CB_GB1_13 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 354 + CB_GB1_13 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 111 355 + CB_GB1_13 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 111 356 + CB_GB1_13 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 357 CB_GB1_13 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 111 358 - CB_GB1_13 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 111 359 - CB_GB1_13 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 111 366 - CB_GB1_13 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 372 + CB_GB1_13 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 111 359 + CB_GB1_13 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 111 366 + CB_GB1_13 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 372 CB_GB1_13 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 111 373 - CB_GB1_13 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 111 374 - CB_GB1_13 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 111 378 - CB_GB1_13 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 380 + CB_GB1_13 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 111 374 + CB_GB1_13 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 111 378 + CB_GB1_13 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 380 CB_GB1_13 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 111 381 - CB_GB1_13 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 111 382 - CB_GB1_13 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 111 392 - CB_GB1_13 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 393 + CB_GB1_13 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 111 382 + CB_GB1_13 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 111 392 + CB_GB1_13 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 393 CB_GB1_13 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 111 394 - CB_GB1_13 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 111 395 - CB_GB1_13 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 399 - CB_GB1_13 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 111 400 - CB_GB1_13 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 111 401 - CB_GB1_13 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 402 + CB_GB1_13 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 111 395 + CB_GB1_13 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 399 + CB_GB1_13 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 111 400 + CB_GB1_13 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 111 401 + CB_GB1_13 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 402 CB_GB1_13 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 111 403 - CB_GB1_13 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 111 404 - CB_GB1_13 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 408 - CB_GB1_13 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 111 409 - CB_GB1_13 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 111 410 - CB_GB1_13 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 411 + CB_GB1_13 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 111 404 + CB_GB1_13 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 408 + CB_GB1_13 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 111 409 + CB_GB1_13 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 111 410 + CB_GB1_13 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 411 CB_GB1_13 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 111 412 - CB_GB1_13 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 111 413 - CB_GB1_13 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 417 + CB_GB1_13 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 111 413 + CB_GB1_13 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 417 CB_GB1_13 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 111 418 - CB_GB1_13 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 111 419 - CB_GB1_13 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 111 423 - CB_GB1_13 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 425 + CB_GB1_13 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 111 419 + CB_GB1_13 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 111 423 + CB_GB1_13 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 425 CB_GB1_13 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 111 426 - CB_GB1_13 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 111 427 - CB_GB1_13 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 111 434 - CB_GB1_13 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 435 + CB_GB1_13 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 111 427 + CB_GB1_13 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 111 434 + CB_GB1_13 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 435 CB_GB1_13 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 111 436 - CB_GB1_13 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 111 437 - CB_GB1_13 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 111 441 - CB_GB1_13 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 443 + CB_GB1_13 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 111 437 + CB_GB1_13 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 111 441 + CB_GB1_13 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 443 CB_GB1_13 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 111 444 - CB_GB1_13 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 111 445 - CB_GB1_13 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 455 + CB_GB1_13 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 111 445 + CB_GB1_13 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 455 CB_GB1_13 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 111 456 - CB_GB1_13 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 111 457 - CB_GB1_13 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 111 461 - CB_GB1_13 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 463 + CB_GB1_13 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 111 457 + CB_GB1_13 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 111 461 + CB_GB1_13 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 463 CB_GB1_13 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 111 464 - CB_GB1_13 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 111 465 - CB_GB1_13 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 471 + CB_GB1_13 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 111 465 + CB_GB1_13 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 471 CB_GB1_13 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 111 472 - CB_GB1_13 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 111 473 - CB_GB1_13 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 111 477 - CB_GB1_13 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 479 + CB_GB1_13 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 111 473 + CB_GB1_13 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 111 477 + CB_GB1_13 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 479 CB_GB1_13 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 111 480 - CB_GB1_13 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 111 481 - CB_GB1_13 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 486 - CB_GB1_13 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 111 487 - CB_GB1_13 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 111 488 - CB_GB1_13 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 111 489 - CB_GB1_13 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 111 490 - CB_GB1_13 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 111 491 - CG_GB1_13 NZ_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 112 115 - CG_GB1_13 C_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 116 + CB_GB1_13 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 111 481 + CB_GB1_13 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 486 + CB_GB1_13 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 111 487 + CB_GB1_13 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 111 488 + CB_GB1_13 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 111 489 + CB_GB1_13 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 111 490 + CB_GB1_13 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 111 491 + CG_GB1_13 NZ_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 112 115 + CG_GB1_13 C_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 116 CG_GB1_13 O_GB1_13 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 112 117 - CG_GB1_13 N_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 112 118 - CG_GB1_13 C_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 121 + CG_GB1_13 N_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 112 118 + CG_GB1_13 C_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 121 CG_GB1_13 O_GB1_14 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 112 122 - CG_GB1_13 N_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 112 123 - CG_GB1_13 CD_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 128 - CG_GB1_13 OE1_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 112 129 - CG_GB1_13 OE2_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 112 130 - CG_GB1_13 C_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 131 + CG_GB1_13 N_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 112 123 + CG_GB1_13 CD_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 128 + CG_GB1_13 OE1_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 112 129 + CG_GB1_13 OE2_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 112 130 + CG_GB1_13 C_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 131 CG_GB1_13 O_GB1_15 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 112 132 - CG_GB1_13 N_GB1_16 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 112 133 - CG_GB1_13 OG1_GB1_16 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 112 137 - CG_GB1_13 C_GB1_16 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 139 + CG_GB1_13 N_GB1_16 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 112 133 + CG_GB1_13 OG1_GB1_16 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 112 137 + CG_GB1_13 C_GB1_16 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 139 CG_GB1_13 O_GB1_16 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 112 140 - CG_GB1_13 N_GB1_17 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 112 141 - CG_GB1_13 OG1_GB1_17 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 112 145 - CG_GB1_13 C_GB1_17 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 147 + CG_GB1_13 N_GB1_17 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 112 141 + CG_GB1_13 OG1_GB1_17 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 112 145 + CG_GB1_13 C_GB1_17 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 147 CG_GB1_13 O_GB1_17 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 112 148 - CG_GB1_13 N_GB1_18 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 112 149 - CG_GB1_13 OG1_GB1_18 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 112 153 - CG_GB1_13 C_GB1_18 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 155 + CG_GB1_13 N_GB1_18 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 112 149 + CG_GB1_13 OG1_GB1_18 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 112 153 + CG_GB1_13 C_GB1_18 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 155 CG_GB1_13 O_GB1_18 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 112 156 - CG_GB1_13 N_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 112 157 - CG_GB1_13 CD_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 162 - CG_GB1_13 OE1_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 112 163 - CG_GB1_13 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 112 164 - CG_GB1_13 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 165 + CG_GB1_13 N_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 112 157 + CG_GB1_13 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 162 + CG_GB1_13 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 112 163 + CG_GB1_13 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 112 164 + CG_GB1_13 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 165 CG_GB1_13 O_GB1_19 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 112 166 - CG_GB1_13 N_GB1_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 112 167 - CG_GB1_13 C_GB1_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 171 + CG_GB1_13 N_GB1_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 112 167 + CG_GB1_13 C_GB1_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 171 CG_GB1_13 O_GB1_20 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 112 172 - CG_GB1_13 N_GB1_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 112 173 - CG_GB1_13 C_GB1_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 179 + CG_GB1_13 N_GB1_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 112 173 + CG_GB1_13 C_GB1_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 179 CG_GB1_13 O_GB1_21 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 112 180 - CG_GB1_13 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 112 181 - CG_GB1_13 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 185 - CG_GB1_13 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 112 186 - CG_GB1_13 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 112 187 - CG_GB1_13 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 188 + CG_GB1_13 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 112 181 + CG_GB1_13 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 185 + CG_GB1_13 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 112 186 + CG_GB1_13 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 112 187 + CG_GB1_13 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 188 CG_GB1_13 O_GB1_22 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 112 189 - CG_GB1_13 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 112 190 - CG_GB1_13 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 194 + CG_GB1_13 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 112 190 + CG_GB1_13 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 194 CG_GB1_13 O_GB1_23 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 112 195 - CG_GB1_13 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 112 196 - CG_GB1_13 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 200 + CG_GB1_13 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 112 196 + CG_GB1_13 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 200 CG_GB1_13 O_GB1_24 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 112 201 - CG_GB1_13 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 112 202 - CG_GB1_13 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 112 206 - CG_GB1_13 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 208 + CG_GB1_13 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 112 202 + CG_GB1_13 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 112 206 + CG_GB1_13 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 208 CG_GB1_13 O_GB1_25 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 112 209 - CG_GB1_13 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 112 210 - CG_GB1_13 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 214 + CG_GB1_13 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 112 210 + CG_GB1_13 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 214 CG_GB1_13 O_GB1_26 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 112 215 - CG_GB1_13 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 112 216 - CG_GB1_13 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 221 - CG_GB1_13 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 112 222 - CG_GB1_13 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 112 223 - CG_GB1_13 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 224 + CG_GB1_13 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 112 216 + CG_GB1_13 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 221 + CG_GB1_13 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 112 222 + CG_GB1_13 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 112 223 + CG_GB1_13 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 224 CG_GB1_13 O_GB1_27 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 112 225 - CG_GB1_13 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 112 226 - CG_GB1_13 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 112 233 - CG_GB1_13 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 234 + CG_GB1_13 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 112 226 + CG_GB1_13 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 112 233 + CG_GB1_13 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 234 CG_GB1_13 O_GB1_28 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 112 235 - CG_GB1_13 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 112 236 - CG_GB1_13 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 242 + CG_GB1_13 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 112 236 + CG_GB1_13 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 242 CG_GB1_13 O_GB1_29 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 112 243 - CG_GB1_13 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 112 244 - CG_GB1_13 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 254 + CG_GB1_13 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 112 244 + CG_GB1_13 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 254 CG_GB1_13 O_GB1_30 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 112 255 - CG_GB1_13 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 112 256 - CG_GB1_13 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 112 263 - CG_GB1_13 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 264 + CG_GB1_13 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 112 256 + CG_GB1_13 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 112 263 + CG_GB1_13 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 264 CG_GB1_13 O_GB1_31 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 112 265 - CG_GB1_13 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 112 266 - CG_GB1_13 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 271 + CG_GB1_13 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 112 266 + CG_GB1_13 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 271 CG_GB1_13 OE1_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 112 272 - CG_GB1_13 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 112 273 - CG_GB1_13 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 274 + CG_GB1_13 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 112 273 + CG_GB1_13 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 274 CG_GB1_13 O_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 112 275 - CG_GB1_13 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 112 276 - CG_GB1_13 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 112 286 - CG_GB1_13 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 287 + CG_GB1_13 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 112 276 + CG_GB1_13 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 112 286 + CG_GB1_13 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 287 CG_GB1_13 O_GB1_33 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 112 288 - CG_GB1_13 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 112 289 - CG_GB1_13 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 293 + CG_GB1_13 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 112 289 + CG_GB1_13 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 293 CG_GB1_13 O_GB1_34 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 112 294 - CG_GB1_13 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 112 295 - CG_GB1_13 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 299 + CG_GB1_13 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 112 295 + CG_GB1_13 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 299 CG_GB1_13 OD1_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 112 300 - CG_GB1_13 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 112 301 - CG_GB1_13 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 302 + CG_GB1_13 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 112 301 + CG_GB1_13 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 302 CG_GB1_13 O_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 112 303 - CG_GB1_13 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 112 304 - CG_GB1_13 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 308 - CG_GB1_13 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 112 309 - CG_GB1_13 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 112 310 - CG_GB1_13 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 311 + CG_GB1_13 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 112 304 + CG_GB1_13 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 308 + CG_GB1_13 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 112 309 + CG_GB1_13 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 112 310 + CG_GB1_13 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 311 CG_GB1_13 O_GB1_36 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 112 312 - CG_GB1_13 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 112 313 - CG_GB1_13 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 317 + CG_GB1_13 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 112 313 + CG_GB1_13 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 317 CG_GB1_13 OD1_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 112 318 - CG_GB1_13 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 112 319 - CG_GB1_13 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 320 + CG_GB1_13 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 112 319 + CG_GB1_13 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 320 CG_GB1_13 O_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 112 321 - CG_GB1_13 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 112 322 - CG_GB1_13 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 325 + CG_GB1_13 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 112 322 + CG_GB1_13 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 325 CG_GB1_13 O_GB1_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 112 326 - CG_GB1_13 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 112 327 - CG_GB1_13 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 333 + CG_GB1_13 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 112 327 + CG_GB1_13 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 333 CG_GB1_13 O_GB1_39 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 112 334 - CG_GB1_13 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 112 335 - CG_GB1_13 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 339 - CG_GB1_13 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 112 340 - CG_GB1_13 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 112 341 - CG_GB1_13 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 342 + CG_GB1_13 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 112 335 + CG_GB1_13 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 339 + CG_GB1_13 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 112 340 + CG_GB1_13 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 112 341 + CG_GB1_13 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 342 CG_GB1_13 O_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 112 343 - CG_GB1_13 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 112 344 - CG_GB1_13 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 347 + CG_GB1_13 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 112 344 + CG_GB1_13 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 347 CG_GB1_13 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 112 348 - CG_GB1_13 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 112 349 - CG_GB1_13 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 354 - CG_GB1_13 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 112 355 - CG_GB1_13 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 112 356 - CG_GB1_13 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 357 + CG_GB1_13 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 112 349 + CG_GB1_13 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 354 + CG_GB1_13 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 112 355 + CG_GB1_13 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 112 356 + CG_GB1_13 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 357 CG_GB1_13 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 112 358 - CG_GB1_13 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 112 359 - CG_GB1_13 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 112 366 - CG_GB1_13 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 372 + CG_GB1_13 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 112 359 + CG_GB1_13 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 112 366 + CG_GB1_13 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 372 CG_GB1_13 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 112 373 - CG_GB1_13 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 112 374 - CG_GB1_13 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 112 378 - CG_GB1_13 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 380 + CG_GB1_13 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 112 374 + CG_GB1_13 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 112 378 + CG_GB1_13 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 380 CG_GB1_13 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 112 381 - CG_GB1_13 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 112 382 - CG_GB1_13 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 112 392 - CG_GB1_13 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 393 + CG_GB1_13 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 112 382 + CG_GB1_13 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 112 392 + CG_GB1_13 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 393 CG_GB1_13 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 112 394 - CG_GB1_13 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 112 395 - CG_GB1_13 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 399 - CG_GB1_13 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 112 400 - CG_GB1_13 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 112 401 - CG_GB1_13 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 402 + CG_GB1_13 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 112 395 + CG_GB1_13 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 399 + CG_GB1_13 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 112 400 + CG_GB1_13 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 112 401 + CG_GB1_13 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 402 CG_GB1_13 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 112 403 - CG_GB1_13 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 112 404 - CG_GB1_13 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 408 - CG_GB1_13 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 112 409 - CG_GB1_13 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 112 410 - CG_GB1_13 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 411 + CG_GB1_13 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 112 404 + CG_GB1_13 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 408 + CG_GB1_13 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 112 409 + CG_GB1_13 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 112 410 + CG_GB1_13 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 411 CG_GB1_13 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 112 412 - CG_GB1_13 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 112 413 - CG_GB1_13 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 417 + CG_GB1_13 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 112 413 + CG_GB1_13 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 417 CG_GB1_13 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 112 418 - CG_GB1_13 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 112 419 - CG_GB1_13 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 112 423 - CG_GB1_13 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 425 + CG_GB1_13 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 112 419 + CG_GB1_13 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 112 423 + CG_GB1_13 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 425 CG_GB1_13 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 112 426 - CG_GB1_13 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 112 427 - CG_GB1_13 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 112 434 - CG_GB1_13 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 435 + CG_GB1_13 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 112 427 + CG_GB1_13 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 112 434 + CG_GB1_13 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 435 CG_GB1_13 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 112 436 - CG_GB1_13 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 112 437 - CG_GB1_13 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 112 441 - CG_GB1_13 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 443 + CG_GB1_13 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 112 437 + CG_GB1_13 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 112 441 + CG_GB1_13 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 443 CG_GB1_13 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 112 444 - CG_GB1_13 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 112 445 - CG_GB1_13 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 455 + CG_GB1_13 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 112 445 + CG_GB1_13 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 455 CG_GB1_13 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 112 456 - CG_GB1_13 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 112 457 - CG_GB1_13 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 112 461 - CG_GB1_13 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 463 + CG_GB1_13 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 112 457 + CG_GB1_13 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 112 461 + CG_GB1_13 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 463 CG_GB1_13 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 112 464 - CG_GB1_13 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 112 465 - CG_GB1_13 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 471 + CG_GB1_13 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 112 465 + CG_GB1_13 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 471 CG_GB1_13 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 112 472 - CG_GB1_13 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 112 473 - CG_GB1_13 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 112 477 - CG_GB1_13 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 479 + CG_GB1_13 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 112 473 + CG_GB1_13 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 112 477 + CG_GB1_13 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 479 CG_GB1_13 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 112 480 - CG_GB1_13 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 112 481 - CG_GB1_13 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 486 - CG_GB1_13 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 112 487 - CG_GB1_13 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 112 488 - CG_GB1_13 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 112 489 - CG_GB1_13 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 112 490 - CG_GB1_13 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 112 491 - CD_GB1_13 NZ_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 113 115 - CD_GB1_13 C_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 116 + CG_GB1_13 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 112 481 + CG_GB1_13 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 486 + CG_GB1_13 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 112 487 + CG_GB1_13 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 112 488 + CG_GB1_13 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 112 489 + CG_GB1_13 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 112 490 + CG_GB1_13 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 112 491 + CD_GB1_13 NZ_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 113 115 + CD_GB1_13 C_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 116 CD_GB1_13 O_GB1_13 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 113 117 - CD_GB1_13 N_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 113 118 - CD_GB1_13 C_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 121 + CD_GB1_13 N_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 113 118 + CD_GB1_13 C_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 121 CD_GB1_13 O_GB1_14 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 113 122 - CD_GB1_13 N_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 113 123 - CD_GB1_13 CD_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 128 - CD_GB1_13 OE1_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 113 129 - CD_GB1_13 OE2_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 113 130 - CD_GB1_13 C_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 131 + CD_GB1_13 N_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 113 123 + CD_GB1_13 CD_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 128 + CD_GB1_13 OE1_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 113 129 + CD_GB1_13 OE2_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 113 130 + CD_GB1_13 C_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 131 CD_GB1_13 O_GB1_15 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 113 132 - CD_GB1_13 N_GB1_16 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 113 133 - CD_GB1_13 OG1_GB1_16 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 113 137 - CD_GB1_13 C_GB1_16 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 139 + CD_GB1_13 N_GB1_16 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 113 133 + CD_GB1_13 OG1_GB1_16 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 113 137 + CD_GB1_13 C_GB1_16 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 139 CD_GB1_13 O_GB1_16 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 113 140 - CD_GB1_13 N_GB1_17 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 113 141 - CD_GB1_13 OG1_GB1_17 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 113 145 - CD_GB1_13 C_GB1_17 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 147 + CD_GB1_13 N_GB1_17 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 113 141 + CD_GB1_13 OG1_GB1_17 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 113 145 + CD_GB1_13 C_GB1_17 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 147 CD_GB1_13 O_GB1_17 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 113 148 - CD_GB1_13 N_GB1_18 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 113 149 - CD_GB1_13 OG1_GB1_18 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 113 153 - CD_GB1_13 C_GB1_18 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 155 + CD_GB1_13 N_GB1_18 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 113 149 + CD_GB1_13 OG1_GB1_18 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 113 153 + CD_GB1_13 C_GB1_18 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 155 CD_GB1_13 O_GB1_18 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 113 156 - CD_GB1_13 N_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 113 157 - CD_GB1_13 CD_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 162 - CD_GB1_13 OE1_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 113 163 - CD_GB1_13 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 113 164 - CD_GB1_13 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 165 + CD_GB1_13 N_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 113 157 + CD_GB1_13 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 162 + CD_GB1_13 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 113 163 + CD_GB1_13 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 113 164 + CD_GB1_13 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 165 CD_GB1_13 O_GB1_19 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 113 166 - CD_GB1_13 N_GB1_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 113 167 - CD_GB1_13 C_GB1_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 171 + CD_GB1_13 N_GB1_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 113 167 + CD_GB1_13 C_GB1_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 171 CD_GB1_13 O_GB1_20 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 113 172 - CD_GB1_13 N_GB1_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 113 173 - CD_GB1_13 C_GB1_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 179 + CD_GB1_13 N_GB1_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 113 173 + CD_GB1_13 C_GB1_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 179 CD_GB1_13 O_GB1_21 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 113 180 - CD_GB1_13 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 113 181 - CD_GB1_13 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 185 - CD_GB1_13 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 113 186 - CD_GB1_13 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 113 187 - CD_GB1_13 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 188 + CD_GB1_13 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 113 181 + CD_GB1_13 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 185 + CD_GB1_13 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 113 186 + CD_GB1_13 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 113 187 + CD_GB1_13 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 188 CD_GB1_13 O_GB1_22 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 113 189 - CD_GB1_13 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 113 190 - CD_GB1_13 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 194 + CD_GB1_13 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 113 190 + CD_GB1_13 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 194 CD_GB1_13 O_GB1_23 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 113 195 - CD_GB1_13 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 113 196 - CD_GB1_13 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 200 + CD_GB1_13 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 113 196 + CD_GB1_13 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 200 CD_GB1_13 O_GB1_24 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 113 201 - CD_GB1_13 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 113 202 - CD_GB1_13 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 113 206 - CD_GB1_13 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 208 + CD_GB1_13 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 113 202 + CD_GB1_13 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 113 206 + CD_GB1_13 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 208 CD_GB1_13 O_GB1_25 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 113 209 - CD_GB1_13 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 113 210 - CD_GB1_13 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 214 + CD_GB1_13 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 113 210 + CD_GB1_13 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 214 CD_GB1_13 O_GB1_26 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 113 215 - CD_GB1_13 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 113 216 - CD_GB1_13 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 221 - CD_GB1_13 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 113 222 - CD_GB1_13 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 113 223 - CD_GB1_13 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 224 + CD_GB1_13 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 113 216 + CD_GB1_13 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 221 + CD_GB1_13 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 113 222 + CD_GB1_13 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 113 223 + CD_GB1_13 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 224 CD_GB1_13 O_GB1_27 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 113 225 - CD_GB1_13 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 113 226 - CD_GB1_13 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 113 233 - CD_GB1_13 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 234 + CD_GB1_13 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 113 226 + CD_GB1_13 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 113 233 + CD_GB1_13 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 234 CD_GB1_13 O_GB1_28 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 113 235 - CD_GB1_13 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 113 236 - CD_GB1_13 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 242 + CD_GB1_13 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 113 236 + CD_GB1_13 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 242 CD_GB1_13 O_GB1_29 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 113 243 - CD_GB1_13 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 113 244 - CD_GB1_13 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 254 + CD_GB1_13 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 113 244 + CD_GB1_13 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 254 CD_GB1_13 O_GB1_30 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 113 255 - CD_GB1_13 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 113 256 - CD_GB1_13 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 113 263 - CD_GB1_13 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 264 + CD_GB1_13 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 113 256 + CD_GB1_13 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 113 263 + CD_GB1_13 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 264 CD_GB1_13 O_GB1_31 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 113 265 - CD_GB1_13 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 113 266 - CD_GB1_13 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 271 + CD_GB1_13 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 113 266 + CD_GB1_13 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 271 CD_GB1_13 OE1_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 113 272 - CD_GB1_13 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 113 273 - CD_GB1_13 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 274 + CD_GB1_13 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 113 273 + CD_GB1_13 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 274 CD_GB1_13 O_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 113 275 - CD_GB1_13 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 113 276 - CD_GB1_13 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 113 286 - CD_GB1_13 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 287 + CD_GB1_13 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 113 276 + CD_GB1_13 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 113 286 + CD_GB1_13 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 287 CD_GB1_13 O_GB1_33 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 113 288 - CD_GB1_13 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 113 289 - CD_GB1_13 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 293 + CD_GB1_13 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 113 289 + CD_GB1_13 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 293 CD_GB1_13 O_GB1_34 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 113 294 - CD_GB1_13 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 113 295 - CD_GB1_13 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 299 + CD_GB1_13 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 113 295 + CD_GB1_13 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 299 CD_GB1_13 OD1_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 113 300 - CD_GB1_13 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 113 301 - CD_GB1_13 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 302 + CD_GB1_13 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 113 301 + CD_GB1_13 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 302 CD_GB1_13 O_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 113 303 - CD_GB1_13 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 113 304 - CD_GB1_13 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 308 - CD_GB1_13 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 113 309 - CD_GB1_13 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 113 310 - CD_GB1_13 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 311 + CD_GB1_13 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 113 304 + CD_GB1_13 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 308 + CD_GB1_13 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 113 309 + CD_GB1_13 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 113 310 + CD_GB1_13 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 311 CD_GB1_13 O_GB1_36 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 113 312 - CD_GB1_13 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 113 313 - CD_GB1_13 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 317 + CD_GB1_13 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 113 313 + CD_GB1_13 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 317 CD_GB1_13 OD1_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 113 318 - CD_GB1_13 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 113 319 - CD_GB1_13 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 320 + CD_GB1_13 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 113 319 + CD_GB1_13 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 320 CD_GB1_13 O_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 113 321 - CD_GB1_13 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 113 322 - CD_GB1_13 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 325 + CD_GB1_13 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 113 322 + CD_GB1_13 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 325 CD_GB1_13 O_GB1_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 113 326 - CD_GB1_13 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 113 327 - CD_GB1_13 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 333 + CD_GB1_13 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 113 327 + CD_GB1_13 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 333 CD_GB1_13 O_GB1_39 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 113 334 - CD_GB1_13 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 113 335 - CD_GB1_13 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 339 - CD_GB1_13 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 113 340 - CD_GB1_13 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 113 341 - CD_GB1_13 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 342 + CD_GB1_13 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 113 335 + CD_GB1_13 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 339 + CD_GB1_13 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 113 340 + CD_GB1_13 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 113 341 + CD_GB1_13 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 342 CD_GB1_13 O_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 113 343 - CD_GB1_13 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 113 344 - CD_GB1_13 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 347 + CD_GB1_13 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 113 344 + CD_GB1_13 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 347 CD_GB1_13 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 113 348 - CD_GB1_13 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 113 349 - CD_GB1_13 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 354 - CD_GB1_13 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 113 355 - CD_GB1_13 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 113 356 - CD_GB1_13 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 357 + CD_GB1_13 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 113 349 + CD_GB1_13 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 354 + CD_GB1_13 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 113 355 + CD_GB1_13 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 113 356 + CD_GB1_13 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 357 CD_GB1_13 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 113 358 - CD_GB1_13 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 113 359 - CD_GB1_13 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 113 366 - CD_GB1_13 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 372 + CD_GB1_13 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 113 359 + CD_GB1_13 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 113 366 + CD_GB1_13 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 372 CD_GB1_13 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 113 373 - CD_GB1_13 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 113 374 - CD_GB1_13 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 113 378 - CD_GB1_13 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 380 + CD_GB1_13 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 113 374 + CD_GB1_13 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 113 378 + CD_GB1_13 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 380 CD_GB1_13 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 113 381 - CD_GB1_13 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 113 382 - CD_GB1_13 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 113 392 - CD_GB1_13 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 393 + CD_GB1_13 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 113 382 + CD_GB1_13 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 113 392 + CD_GB1_13 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 393 CD_GB1_13 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 113 394 - CD_GB1_13 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 113 395 - CD_GB1_13 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 399 - CD_GB1_13 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 113 400 - CD_GB1_13 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 113 401 - CD_GB1_13 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 402 + CD_GB1_13 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 113 395 + CD_GB1_13 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 399 + CD_GB1_13 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 113 400 + CD_GB1_13 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 113 401 + CD_GB1_13 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 402 CD_GB1_13 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 113 403 - CD_GB1_13 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 113 404 - CD_GB1_13 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 408 - CD_GB1_13 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 113 409 - CD_GB1_13 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 113 410 - CD_GB1_13 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 411 + CD_GB1_13 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 113 404 + CD_GB1_13 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 408 + CD_GB1_13 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 113 409 + CD_GB1_13 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 113 410 + CD_GB1_13 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 411 CD_GB1_13 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 113 412 - CD_GB1_13 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 113 413 - CD_GB1_13 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 417 + CD_GB1_13 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 113 413 + CD_GB1_13 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 417 CD_GB1_13 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 113 418 - CD_GB1_13 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 113 419 - CD_GB1_13 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 113 423 - CD_GB1_13 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 425 + CD_GB1_13 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 113 419 + CD_GB1_13 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 113 423 + CD_GB1_13 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 425 CD_GB1_13 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 113 426 - CD_GB1_13 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 113 427 - CD_GB1_13 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 113 434 - CD_GB1_13 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 435 + CD_GB1_13 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 113 427 + CD_GB1_13 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 113 434 + CD_GB1_13 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 435 CD_GB1_13 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 113 436 - CD_GB1_13 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 113 437 - CD_GB1_13 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 113 441 - CD_GB1_13 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 443 + CD_GB1_13 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 113 437 + CD_GB1_13 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 113 441 + CD_GB1_13 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 443 CD_GB1_13 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 113 444 - CD_GB1_13 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 113 445 - CD_GB1_13 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 455 + CD_GB1_13 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 113 445 + CD_GB1_13 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 455 CD_GB1_13 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 113 456 - CD_GB1_13 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 113 457 - CD_GB1_13 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 113 461 - CD_GB1_13 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 463 + CD_GB1_13 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 113 457 + CD_GB1_13 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 113 461 + CD_GB1_13 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 463 CD_GB1_13 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 113 464 - CD_GB1_13 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 113 465 - CD_GB1_13 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 471 + CD_GB1_13 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 113 465 + CD_GB1_13 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 471 CD_GB1_13 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 113 472 - CD_GB1_13 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 113 473 - CD_GB1_13 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 113 477 - CD_GB1_13 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 479 + CD_GB1_13 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 113 473 + CD_GB1_13 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 113 477 + CD_GB1_13 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 479 CD_GB1_13 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 113 480 - CD_GB1_13 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 113 481 - CD_GB1_13 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 486 - CD_GB1_13 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 113 487 - CD_GB1_13 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 113 488 - CD_GB1_13 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 113 489 - CD_GB1_13 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 113 490 - CD_GB1_13 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 113 491 - CE_GB1_13 NZ_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 114 115 - CE_GB1_13 C_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 116 + CD_GB1_13 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 113 481 + CD_GB1_13 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 486 + CD_GB1_13 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 113 487 + CD_GB1_13 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 113 488 + CD_GB1_13 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 113 489 + CD_GB1_13 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 113 490 + CD_GB1_13 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 113 491 + CE_GB1_13 NZ_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 114 115 + CE_GB1_13 C_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 116 CE_GB1_13 O_GB1_13 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 114 117 - CE_GB1_13 N_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 114 118 - CE_GB1_13 C_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 121 + CE_GB1_13 N_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 114 118 + CE_GB1_13 C_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 121 CE_GB1_13 O_GB1_14 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 114 122 - CE_GB1_13 N_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 114 123 - CE_GB1_13 CD_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 128 - CE_GB1_13 OE1_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 114 129 - CE_GB1_13 OE2_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 114 130 - CE_GB1_13 C_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 131 + CE_GB1_13 N_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 114 123 + CE_GB1_13 CD_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 128 + CE_GB1_13 OE1_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 114 129 + CE_GB1_13 OE2_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 114 130 + CE_GB1_13 C_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 131 CE_GB1_13 O_GB1_15 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 114 132 - CE_GB1_13 N_GB1_16 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 114 133 - CE_GB1_13 OG1_GB1_16 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 114 137 - CE_GB1_13 C_GB1_16 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 139 + CE_GB1_13 N_GB1_16 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 114 133 + CE_GB1_13 OG1_GB1_16 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 114 137 + CE_GB1_13 C_GB1_16 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 139 CE_GB1_13 O_GB1_16 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 114 140 - CE_GB1_13 N_GB1_17 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 114 141 - CE_GB1_13 OG1_GB1_17 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 114 145 - CE_GB1_13 C_GB1_17 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 147 + CE_GB1_13 N_GB1_17 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 114 141 + CE_GB1_13 OG1_GB1_17 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 114 145 + CE_GB1_13 C_GB1_17 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 147 CE_GB1_13 O_GB1_17 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 114 148 - CE_GB1_13 N_GB1_18 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 114 149 - CE_GB1_13 OG1_GB1_18 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 114 153 - CE_GB1_13 C_GB1_18 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 155 + CE_GB1_13 N_GB1_18 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 114 149 + CE_GB1_13 OG1_GB1_18 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 114 153 + CE_GB1_13 C_GB1_18 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 155 CE_GB1_13 O_GB1_18 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 114 156 - CE_GB1_13 N_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 114 157 - CE_GB1_13 CD_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 162 - CE_GB1_13 OE1_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 114 163 - CE_GB1_13 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 114 164 - CE_GB1_13 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 165 + CE_GB1_13 N_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 114 157 + CE_GB1_13 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 162 + CE_GB1_13 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 114 163 + CE_GB1_13 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 114 164 + CE_GB1_13 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 165 CE_GB1_13 O_GB1_19 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 114 166 - CE_GB1_13 N_GB1_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 114 167 - CE_GB1_13 C_GB1_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 171 + CE_GB1_13 N_GB1_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 114 167 + CE_GB1_13 C_GB1_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 171 CE_GB1_13 O_GB1_20 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 114 172 - CE_GB1_13 N_GB1_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 114 173 - CE_GB1_13 C_GB1_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 179 + CE_GB1_13 N_GB1_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 114 173 + CE_GB1_13 C_GB1_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 179 CE_GB1_13 O_GB1_21 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 114 180 - CE_GB1_13 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 114 181 - CE_GB1_13 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 185 - CE_GB1_13 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 114 186 - CE_GB1_13 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 114 187 - CE_GB1_13 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 188 + CE_GB1_13 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 114 181 + CE_GB1_13 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 185 + CE_GB1_13 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 114 186 + CE_GB1_13 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 114 187 + CE_GB1_13 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 188 CE_GB1_13 O_GB1_22 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 114 189 - CE_GB1_13 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 114 190 - CE_GB1_13 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 194 + CE_GB1_13 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 114 190 + CE_GB1_13 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 194 CE_GB1_13 O_GB1_23 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 114 195 - CE_GB1_13 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 114 196 - CE_GB1_13 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 200 + CE_GB1_13 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 114 196 + CE_GB1_13 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 200 CE_GB1_13 O_GB1_24 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 114 201 - CE_GB1_13 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 114 202 - CE_GB1_13 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 114 206 - CE_GB1_13 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 208 + CE_GB1_13 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 114 202 + CE_GB1_13 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 114 206 + CE_GB1_13 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 208 CE_GB1_13 O_GB1_25 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 114 209 - CE_GB1_13 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 114 210 - CE_GB1_13 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 214 + CE_GB1_13 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 114 210 + CE_GB1_13 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 214 CE_GB1_13 O_GB1_26 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 114 215 - CE_GB1_13 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 114 216 - CE_GB1_13 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 221 - CE_GB1_13 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 114 222 - CE_GB1_13 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 114 223 - CE_GB1_13 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 224 + CE_GB1_13 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 114 216 + CE_GB1_13 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 221 + CE_GB1_13 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 114 222 + CE_GB1_13 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 114 223 + CE_GB1_13 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 224 CE_GB1_13 O_GB1_27 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 114 225 - CE_GB1_13 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 114 226 - CE_GB1_13 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 114 233 - CE_GB1_13 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 234 + CE_GB1_13 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 114 226 + CE_GB1_13 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 114 233 + CE_GB1_13 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 234 CE_GB1_13 O_GB1_28 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 114 235 - CE_GB1_13 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 114 236 - CE_GB1_13 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 242 + CE_GB1_13 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 114 236 + CE_GB1_13 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 242 CE_GB1_13 O_GB1_29 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 114 243 - CE_GB1_13 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 114 244 - CE_GB1_13 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 254 + CE_GB1_13 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 114 244 + CE_GB1_13 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 254 CE_GB1_13 O_GB1_30 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 114 255 - CE_GB1_13 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 114 256 - CE_GB1_13 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 114 263 - CE_GB1_13 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 264 + CE_GB1_13 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 114 256 + CE_GB1_13 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 114 263 + CE_GB1_13 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 264 CE_GB1_13 O_GB1_31 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 114 265 - CE_GB1_13 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 114 266 - CE_GB1_13 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 271 + CE_GB1_13 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 114 266 + CE_GB1_13 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 271 CE_GB1_13 OE1_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 114 272 - CE_GB1_13 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 114 273 - CE_GB1_13 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 274 + CE_GB1_13 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 114 273 + CE_GB1_13 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 274 CE_GB1_13 O_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 114 275 - CE_GB1_13 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 114 276 - CE_GB1_13 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 114 286 - CE_GB1_13 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 287 + CE_GB1_13 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 114 276 + CE_GB1_13 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 114 286 + CE_GB1_13 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 287 CE_GB1_13 O_GB1_33 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 114 288 - CE_GB1_13 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 114 289 - CE_GB1_13 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 293 + CE_GB1_13 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 114 289 + CE_GB1_13 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 293 CE_GB1_13 O_GB1_34 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 114 294 - CE_GB1_13 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 114 295 - CE_GB1_13 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 299 + CE_GB1_13 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 114 295 + CE_GB1_13 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 299 CE_GB1_13 OD1_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 114 300 - CE_GB1_13 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 114 301 - CE_GB1_13 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 302 + CE_GB1_13 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 114 301 + CE_GB1_13 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 302 CE_GB1_13 O_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 114 303 - CE_GB1_13 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 114 304 - CE_GB1_13 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 308 - CE_GB1_13 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 114 309 - CE_GB1_13 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 114 310 - CE_GB1_13 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 311 + CE_GB1_13 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 114 304 + CE_GB1_13 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 308 + CE_GB1_13 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 114 309 + CE_GB1_13 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 114 310 + CE_GB1_13 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 311 CE_GB1_13 O_GB1_36 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 114 312 - CE_GB1_13 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 114 313 - CE_GB1_13 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 317 + CE_GB1_13 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 114 313 + CE_GB1_13 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 317 CE_GB1_13 OD1_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 114 318 - CE_GB1_13 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 114 319 - CE_GB1_13 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 320 + CE_GB1_13 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 114 319 + CE_GB1_13 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 320 CE_GB1_13 O_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 114 321 - CE_GB1_13 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 114 322 - CE_GB1_13 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 325 + CE_GB1_13 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 114 322 + CE_GB1_13 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 325 CE_GB1_13 O_GB1_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 114 326 - CE_GB1_13 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 114 327 - CE_GB1_13 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 333 + CE_GB1_13 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 114 327 + CE_GB1_13 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 333 CE_GB1_13 O_GB1_39 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 114 334 - CE_GB1_13 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 114 335 - CE_GB1_13 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 339 - CE_GB1_13 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 114 340 - CE_GB1_13 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 114 341 - CE_GB1_13 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 342 + CE_GB1_13 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 114 335 + CE_GB1_13 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 339 + CE_GB1_13 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 114 340 + CE_GB1_13 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 114 341 + CE_GB1_13 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 342 CE_GB1_13 O_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 114 343 - CE_GB1_13 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 114 344 - CE_GB1_13 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 347 + CE_GB1_13 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 114 344 + CE_GB1_13 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 347 CE_GB1_13 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 114 348 - CE_GB1_13 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 114 349 - CE_GB1_13 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 354 - CE_GB1_13 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 114 355 - CE_GB1_13 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 114 356 - CE_GB1_13 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 357 + CE_GB1_13 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 114 349 + CE_GB1_13 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 354 + CE_GB1_13 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 114 355 + CE_GB1_13 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 114 356 + CE_GB1_13 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 357 CE_GB1_13 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 114 358 - CE_GB1_13 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 114 359 - CE_GB1_13 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 114 366 - CE_GB1_13 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 372 + CE_GB1_13 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 114 359 + CE_GB1_13 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 114 366 + CE_GB1_13 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 372 CE_GB1_13 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 114 373 - CE_GB1_13 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 114 374 - CE_GB1_13 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 114 378 - CE_GB1_13 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 380 + CE_GB1_13 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 114 374 + CE_GB1_13 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 114 378 + CE_GB1_13 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 380 CE_GB1_13 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 114 381 - CE_GB1_13 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 114 382 - CE_GB1_13 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 114 392 - CE_GB1_13 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 393 + CE_GB1_13 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 114 382 + CE_GB1_13 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 114 392 + CE_GB1_13 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 393 CE_GB1_13 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 114 394 - CE_GB1_13 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 114 395 - CE_GB1_13 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 399 - CE_GB1_13 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 114 400 - CE_GB1_13 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 114 401 - CE_GB1_13 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 402 + CE_GB1_13 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 114 395 + CE_GB1_13 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 399 + CE_GB1_13 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 114 400 + CE_GB1_13 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 114 401 + CE_GB1_13 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 402 CE_GB1_13 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 114 403 - CE_GB1_13 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 114 404 - CE_GB1_13 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 408 - CE_GB1_13 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 114 409 - CE_GB1_13 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 114 410 - CE_GB1_13 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 411 + CE_GB1_13 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 114 404 + CE_GB1_13 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 408 + CE_GB1_13 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 114 409 + CE_GB1_13 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 114 410 + CE_GB1_13 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 411 CE_GB1_13 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 114 412 - CE_GB1_13 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 114 413 - CE_GB1_13 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 417 + CE_GB1_13 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 114 413 + CE_GB1_13 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 417 CE_GB1_13 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 114 418 - CE_GB1_13 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 114 419 - CE_GB1_13 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 114 423 - CE_GB1_13 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 425 + CE_GB1_13 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 114 419 + CE_GB1_13 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 114 423 + CE_GB1_13 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 425 CE_GB1_13 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 114 426 - CE_GB1_13 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 114 427 - CE_GB1_13 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 114 434 - CE_GB1_13 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 435 + CE_GB1_13 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 114 427 + CE_GB1_13 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 114 434 + CE_GB1_13 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 435 CE_GB1_13 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 114 436 - CE_GB1_13 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 114 437 - CE_GB1_13 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 114 441 - CE_GB1_13 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 443 + CE_GB1_13 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 114 437 + CE_GB1_13 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 114 441 + CE_GB1_13 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 443 CE_GB1_13 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 114 444 - CE_GB1_13 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 114 445 - CE_GB1_13 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 455 + CE_GB1_13 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 114 445 + CE_GB1_13 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 455 CE_GB1_13 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 114 456 - CE_GB1_13 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 114 457 - CE_GB1_13 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 114 461 - CE_GB1_13 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 463 + CE_GB1_13 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 114 457 + CE_GB1_13 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 114 461 + CE_GB1_13 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 463 CE_GB1_13 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 114 464 - CE_GB1_13 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 114 465 - CE_GB1_13 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 471 + CE_GB1_13 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 114 465 + CE_GB1_13 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 471 CE_GB1_13 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 114 472 - CE_GB1_13 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 114 473 - CE_GB1_13 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 114 477 - CE_GB1_13 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 479 + CE_GB1_13 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 114 473 + CE_GB1_13 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 114 477 + CE_GB1_13 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 479 CE_GB1_13 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 114 480 - CE_GB1_13 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 114 481 - CE_GB1_13 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 486 - CE_GB1_13 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 114 487 - CE_GB1_13 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 114 488 - CE_GB1_13 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 114 489 - CE_GB1_13 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 114 490 - CE_GB1_13 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 114 491 + CE_GB1_13 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 114 481 + CE_GB1_13 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 486 + CE_GB1_13 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 114 487 + CE_GB1_13 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 114 488 + CE_GB1_13 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 114 489 + CE_GB1_13 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 114 490 + CE_GB1_13 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 114 491 NZ_GB1_13 NZ_GB1_13 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.0 1.0 1.0 1.0 False mg 7 115 115 - NZ_GB1_13 CA_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 115 120 - NZ_GB1_13 CB_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 115 126 - NZ_GB1_13 CG_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 115 127 - NZ_GB1_13 CB_GB1_16 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 115 136 - NZ_GB1_13 CG2_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 115 138 - NZ_GB1_13 CB_GB1_17 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 115 144 - NZ_GB1_13 CG2_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 115 146 - NZ_GB1_13 CB_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 115 152 - NZ_GB1_13 CG2_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 115 154 - NZ_GB1_13 CB_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 115 160 - NZ_GB1_13 CG_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 115 161 - NZ_GB1_13 CB_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 115 170 - NZ_GB1_13 CB_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 115 176 - NZ_GB1_13 CG1_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 115 177 - NZ_GB1_13 CG2_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 115 178 - NZ_GB1_13 CB_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 115 184 - NZ_GB1_13 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 115 193 - NZ_GB1_13 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 115 199 - NZ_GB1_13 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 115 205 - NZ_GB1_13 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 115 207 - NZ_GB1_13 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 115 213 - NZ_GB1_13 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 115 219 - NZ_GB1_13 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 115 220 - NZ_GB1_13 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 115 229 - NZ_GB1_13 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 115 230 - NZ_GB1_13 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 115 231 - NZ_GB1_13 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 115 232 + NZ_GB1_13 CA_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 115 120 + NZ_GB1_13 CB_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 115 126 + NZ_GB1_13 CG_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 115 127 + NZ_GB1_13 CB_GB1_16 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 115 136 + NZ_GB1_13 CG2_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 115 138 + NZ_GB1_13 CB_GB1_17 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 115 144 + NZ_GB1_13 CG2_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 115 146 + NZ_GB1_13 CB_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 115 152 + NZ_GB1_13 CG2_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 115 154 + NZ_GB1_13 CB_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 115 160 + NZ_GB1_13 CG_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 115 161 + NZ_GB1_13 CB_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 115 170 + NZ_GB1_13 CB_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 115 176 + NZ_GB1_13 CG1_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 115 177 + NZ_GB1_13 CG2_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 115 178 + NZ_GB1_13 CB_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 115 184 + NZ_GB1_13 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 115 193 + NZ_GB1_13 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 115 199 + NZ_GB1_13 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 115 205 + NZ_GB1_13 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 115 207 + NZ_GB1_13 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 115 213 + NZ_GB1_13 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 115 219 + NZ_GB1_13 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 115 220 + NZ_GB1_13 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 115 229 + NZ_GB1_13 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 115 230 + NZ_GB1_13 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 115 231 + NZ_GB1_13 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 115 232 NZ_GB1_13 NZ_GB1_28 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.0 1.0 1.0 1.0 False mg 7 115 233 - NZ_GB1_13 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 115 239 - NZ_GB1_13 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 115 240 - NZ_GB1_13 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 115 241 - NZ_GB1_13 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 115 247 - NZ_GB1_13 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 115 259 - NZ_GB1_13 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 115 260 - NZ_GB1_13 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 115 261 - NZ_GB1_13 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 115 262 + NZ_GB1_13 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 115 239 + NZ_GB1_13 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 115 240 + NZ_GB1_13 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 115 241 + NZ_GB1_13 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 115 247 + NZ_GB1_13 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 115 259 + NZ_GB1_13 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 115 260 + NZ_GB1_13 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 115 261 + NZ_GB1_13 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 115 262 NZ_GB1_13 NZ_GB1_31 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.0 1.0 1.0 1.0 False mg 7 115 263 - NZ_GB1_13 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 115 269 - NZ_GB1_13 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 115 270 - NZ_GB1_13 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 115 279 - NZ_GB1_13 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 115 292 - NZ_GB1_13 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 115 298 - NZ_GB1_13 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 115 307 - NZ_GB1_13 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 115 316 - NZ_GB1_13 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 115 324 - NZ_GB1_13 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 115 330 - NZ_GB1_13 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 115 331 - NZ_GB1_13 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 115 332 - NZ_GB1_13 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 115 338 - NZ_GB1_13 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 115 346 - NZ_GB1_13 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 115 352 - NZ_GB1_13 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 115 353 - NZ_GB1_13 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 115 362 - NZ_GB1_13 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 115 377 - NZ_GB1_13 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 115 379 - NZ_GB1_13 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 115 385 - NZ_GB1_13 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 115 398 - NZ_GB1_13 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 115 407 - NZ_GB1_13 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 115 416 - NZ_GB1_13 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 115 422 - NZ_GB1_13 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 115 424 - NZ_GB1_13 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 115 430 - NZ_GB1_13 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 115 431 - NZ_GB1_13 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 115 432 - NZ_GB1_13 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 115 433 + NZ_GB1_13 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 115 269 + NZ_GB1_13 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 115 270 + NZ_GB1_13 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 115 279 + NZ_GB1_13 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 115 292 + NZ_GB1_13 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 115 298 + NZ_GB1_13 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 115 307 + NZ_GB1_13 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 115 316 + NZ_GB1_13 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 115 324 + NZ_GB1_13 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 115 330 + NZ_GB1_13 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 115 331 + NZ_GB1_13 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 115 332 + NZ_GB1_13 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 115 338 + NZ_GB1_13 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 115 346 + NZ_GB1_13 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 115 352 + NZ_GB1_13 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 115 353 + NZ_GB1_13 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 115 362 + NZ_GB1_13 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 115 377 + NZ_GB1_13 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 115 379 + NZ_GB1_13 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 115 385 + NZ_GB1_13 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 115 398 + NZ_GB1_13 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 115 407 + NZ_GB1_13 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 115 416 + NZ_GB1_13 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 115 422 + NZ_GB1_13 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 115 424 + NZ_GB1_13 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 115 430 + NZ_GB1_13 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 115 431 + NZ_GB1_13 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 115 432 + NZ_GB1_13 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 115 433 NZ_GB1_13 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.0 1.0 1.0 1.0 False mg 7 115 434 - NZ_GB1_13 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 115 440 - NZ_GB1_13 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 115 442 - NZ_GB1_13 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 115 448 - NZ_GB1_13 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 115 460 - NZ_GB1_13 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 115 462 - NZ_GB1_13 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 115 468 - NZ_GB1_13 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 115 469 - NZ_GB1_13 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 115 470 - NZ_GB1_13 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 115 476 - NZ_GB1_13 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 115 478 - NZ_GB1_13 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 115 484 - NZ_GB1_13 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 115 485 - C_GB1_13 CA_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 116 120 - C_GB1_13 CB_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 116 126 - C_GB1_13 CG_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 116 127 - C_GB1_13 CB_GB1_16 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 116 136 - C_GB1_13 CG2_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 116 138 - C_GB1_13 CB_GB1_17 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 116 144 - C_GB1_13 CG2_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 116 146 - C_GB1_13 CB_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 116 152 - C_GB1_13 CG2_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 116 154 - C_GB1_13 CB_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 116 160 - C_GB1_13 CG_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 116 161 - C_GB1_13 CB_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 116 170 - C_GB1_13 CB_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 116 176 - C_GB1_13 CG1_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 116 177 - C_GB1_13 CG2_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 116 178 - C_GB1_13 CB_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 116 184 - C_GB1_13 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 116 193 - C_GB1_13 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 116 199 - C_GB1_13 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 116 205 - C_GB1_13 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 116 207 - C_GB1_13 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 116 213 - C_GB1_13 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 116 219 - C_GB1_13 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 116 220 - C_GB1_13 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 116 229 - C_GB1_13 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 116 230 - C_GB1_13 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 116 231 - C_GB1_13 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 116 232 - C_GB1_13 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 116 239 - C_GB1_13 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 116 240 - C_GB1_13 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 116 241 - C_GB1_13 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 116 247 - C_GB1_13 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 116 259 - C_GB1_13 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 116 260 - C_GB1_13 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 116 261 - C_GB1_13 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 116 262 - C_GB1_13 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 116 269 - C_GB1_13 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 116 270 - C_GB1_13 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 116 279 - C_GB1_13 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 116 292 - C_GB1_13 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 116 298 - C_GB1_13 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 116 307 - C_GB1_13 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 116 316 - C_GB1_13 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 116 324 - C_GB1_13 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 116 330 - C_GB1_13 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 116 331 - C_GB1_13 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 116 332 - C_GB1_13 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 116 338 - C_GB1_13 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 116 346 - C_GB1_13 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 116 352 - C_GB1_13 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 116 353 - C_GB1_13 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 116 362 - C_GB1_13 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 116 377 - C_GB1_13 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 116 379 - C_GB1_13 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 116 385 - C_GB1_13 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 116 398 - C_GB1_13 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 116 407 - C_GB1_13 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 116 416 - C_GB1_13 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 116 422 - C_GB1_13 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 116 424 - C_GB1_13 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 116 430 - C_GB1_13 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 116 431 - C_GB1_13 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 116 432 - C_GB1_13 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 116 433 - C_GB1_13 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 116 440 - C_GB1_13 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 116 442 - C_GB1_13 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 116 448 - C_GB1_13 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 116 460 - C_GB1_13 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 116 462 - C_GB1_13 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 116 468 - C_GB1_13 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 116 469 - C_GB1_13 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 116 470 - C_GB1_13 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 116 476 - C_GB1_13 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 116 478 - C_GB1_13 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 116 484 - C_GB1_13 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 116 485 + NZ_GB1_13 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 115 440 + NZ_GB1_13 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 115 442 + NZ_GB1_13 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 115 448 + NZ_GB1_13 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 115 460 + NZ_GB1_13 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 115 462 + NZ_GB1_13 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 115 468 + NZ_GB1_13 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 115 469 + NZ_GB1_13 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 115 470 + NZ_GB1_13 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 115 476 + NZ_GB1_13 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 115 478 + NZ_GB1_13 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 115 484 + NZ_GB1_13 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 115 485 + C_GB1_13 CA_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 116 120 + C_GB1_13 CB_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 116 126 + C_GB1_13 CG_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 116 127 + C_GB1_13 CB_GB1_16 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 116 136 + C_GB1_13 CG2_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 116 138 + C_GB1_13 CB_GB1_17 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 116 144 + C_GB1_13 CG2_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 116 146 + C_GB1_13 CB_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 116 152 + C_GB1_13 CG2_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 116 154 + C_GB1_13 CB_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 116 160 + C_GB1_13 CG_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 116 161 + C_GB1_13 CB_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 116 170 + C_GB1_13 CB_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 116 176 + C_GB1_13 CG1_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 116 177 + C_GB1_13 CG2_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 116 178 + C_GB1_13 CB_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 116 184 + C_GB1_13 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 116 193 + C_GB1_13 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 116 199 + C_GB1_13 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 116 205 + C_GB1_13 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 116 207 + C_GB1_13 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 116 213 + C_GB1_13 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 116 219 + C_GB1_13 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 116 220 + C_GB1_13 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 116 229 + C_GB1_13 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 116 230 + C_GB1_13 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 116 231 + C_GB1_13 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 116 232 + C_GB1_13 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 116 239 + C_GB1_13 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 116 240 + C_GB1_13 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 116 241 + C_GB1_13 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 116 247 + C_GB1_13 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 116 259 + C_GB1_13 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 116 260 + C_GB1_13 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 116 261 + C_GB1_13 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 116 262 + C_GB1_13 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 116 269 + C_GB1_13 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 116 270 + C_GB1_13 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 116 279 + C_GB1_13 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 116 292 + C_GB1_13 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 116 298 + C_GB1_13 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 116 307 + C_GB1_13 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 116 316 + C_GB1_13 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 116 324 + C_GB1_13 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 116 330 + C_GB1_13 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 116 331 + C_GB1_13 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 116 332 + C_GB1_13 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 116 338 + C_GB1_13 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 116 346 + C_GB1_13 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 116 352 + C_GB1_13 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 116 353 + C_GB1_13 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 116 362 + C_GB1_13 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 116 377 + C_GB1_13 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 116 379 + C_GB1_13 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 116 385 + C_GB1_13 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 116 398 + C_GB1_13 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 116 407 + C_GB1_13 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 116 416 + C_GB1_13 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 116 422 + C_GB1_13 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 116 424 + C_GB1_13 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 116 430 + C_GB1_13 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 116 431 + C_GB1_13 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 116 432 + C_GB1_13 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 116 433 + C_GB1_13 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 116 440 + C_GB1_13 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 116 442 + C_GB1_13 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 116 448 + C_GB1_13 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 116 460 + C_GB1_13 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 116 462 + C_GB1_13 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 116 468 + C_GB1_13 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 116 469 + C_GB1_13 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 116 470 + C_GB1_13 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 116 476 + C_GB1_13 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 116 478 + C_GB1_13 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 116 484 + C_GB1_13 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 116 485 O_GB1_13 O_GB1_13 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 117 117 O_GB1_13 H_GB1_14 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 117 119 O_GB1_13 CA_GB1_14 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 117 120 @@ -16559,81 +16559,81 @@ CD2_GB1_12 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- O_GB1_13 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 117 488 O_GB1_13 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 117 490 O_GB1_13 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 117 491 - N_GB1_14 CA_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 118 120 - N_GB1_14 CB_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 118 126 - N_GB1_14 CG_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 118 127 - N_GB1_14 CB_GB1_16 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 118 136 - N_GB1_14 CG2_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 118 138 - N_GB1_14 CB_GB1_17 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 118 144 - N_GB1_14 CG2_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 118 146 - N_GB1_14 CB_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 118 152 - N_GB1_14 CG2_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 118 154 - N_GB1_14 CB_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 118 160 - N_GB1_14 CG_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 118 161 - N_GB1_14 CB_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 118 170 - N_GB1_14 CB_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 118 176 - N_GB1_14 CG1_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 118 177 - N_GB1_14 CG2_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 118 178 - N_GB1_14 CB_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 118 184 - N_GB1_14 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 118 193 - N_GB1_14 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 118 199 - N_GB1_14 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 118 205 - N_GB1_14 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 118 207 - N_GB1_14 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 118 213 - N_GB1_14 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 118 219 - N_GB1_14 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 118 220 - N_GB1_14 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 118 229 - N_GB1_14 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 118 230 - N_GB1_14 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 118 231 - N_GB1_14 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 118 232 - N_GB1_14 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 118 239 - N_GB1_14 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 118 240 - N_GB1_14 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 118 241 - N_GB1_14 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 118 247 - N_GB1_14 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 118 259 - N_GB1_14 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 118 260 - N_GB1_14 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 118 261 - N_GB1_14 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 118 262 - N_GB1_14 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 118 269 - N_GB1_14 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 118 270 - N_GB1_14 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 118 279 - N_GB1_14 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 118 292 - N_GB1_14 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 118 298 - N_GB1_14 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 118 307 - N_GB1_14 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 118 316 - N_GB1_14 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 118 324 - N_GB1_14 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 118 330 - N_GB1_14 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 118 331 - N_GB1_14 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 118 332 - N_GB1_14 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 118 338 - N_GB1_14 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 118 346 - N_GB1_14 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 118 352 - N_GB1_14 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 118 353 - N_GB1_14 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 118 362 - N_GB1_14 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 118 377 - N_GB1_14 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 118 379 - N_GB1_14 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 118 385 - N_GB1_14 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 118 398 - N_GB1_14 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 118 407 - N_GB1_14 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 118 416 - N_GB1_14 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 118 422 - N_GB1_14 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 118 424 - N_GB1_14 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 118 430 - N_GB1_14 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 118 431 - N_GB1_14 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 118 432 - N_GB1_14 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 118 433 - N_GB1_14 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 118 440 - N_GB1_14 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 118 442 - N_GB1_14 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 118 448 - N_GB1_14 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 118 460 - N_GB1_14 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 118 462 - N_GB1_14 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 118 468 - N_GB1_14 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 118 469 - N_GB1_14 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 118 470 - N_GB1_14 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 118 476 - N_GB1_14 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 118 478 - N_GB1_14 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 118 484 - N_GB1_14 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 118 485 + N_GB1_14 CA_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 118 120 + N_GB1_14 CB_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 118 126 + N_GB1_14 CG_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 118 127 + N_GB1_14 CB_GB1_16 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 118 136 + N_GB1_14 CG2_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 118 138 + N_GB1_14 CB_GB1_17 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 118 144 + N_GB1_14 CG2_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 118 146 + N_GB1_14 CB_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 118 152 + N_GB1_14 CG2_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 118 154 + N_GB1_14 CB_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 118 160 + N_GB1_14 CG_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 118 161 + N_GB1_14 CB_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 118 170 + N_GB1_14 CB_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 118 176 + N_GB1_14 CG1_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 118 177 + N_GB1_14 CG2_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 118 178 + N_GB1_14 CB_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 118 184 + N_GB1_14 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 118 193 + N_GB1_14 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 118 199 + N_GB1_14 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 118 205 + N_GB1_14 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 118 207 + N_GB1_14 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 118 213 + N_GB1_14 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 118 219 + N_GB1_14 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 118 220 + N_GB1_14 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 118 229 + N_GB1_14 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 118 230 + N_GB1_14 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 118 231 + N_GB1_14 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 118 232 + N_GB1_14 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 118 239 + N_GB1_14 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 118 240 + N_GB1_14 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 118 241 + N_GB1_14 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 118 247 + N_GB1_14 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 118 259 + N_GB1_14 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 118 260 + N_GB1_14 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 118 261 + N_GB1_14 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 118 262 + N_GB1_14 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 118 269 + N_GB1_14 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 118 270 + N_GB1_14 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 118 279 + N_GB1_14 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 118 292 + N_GB1_14 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 118 298 + N_GB1_14 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 118 307 + N_GB1_14 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 118 316 + N_GB1_14 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 118 324 + N_GB1_14 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 118 330 + N_GB1_14 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 118 331 + N_GB1_14 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 118 332 + N_GB1_14 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 118 338 + N_GB1_14 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 118 346 + N_GB1_14 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 118 352 + N_GB1_14 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 118 353 + N_GB1_14 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 118 362 + N_GB1_14 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 118 377 + N_GB1_14 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 118 379 + N_GB1_14 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 118 385 + N_GB1_14 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 118 398 + N_GB1_14 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 118 407 + N_GB1_14 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 118 416 + N_GB1_14 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 118 422 + N_GB1_14 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 118 424 + N_GB1_14 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 118 430 + N_GB1_14 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 118 431 + N_GB1_14 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 118 432 + N_GB1_14 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 118 433 + N_GB1_14 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 118 440 + N_GB1_14 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 118 442 + N_GB1_14 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 118 448 + N_GB1_14 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 118 460 + N_GB1_14 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 118 462 + N_GB1_14 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 118 468 + N_GB1_14 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 118 469 + N_GB1_14 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 118 470 + N_GB1_14 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 118 476 + N_GB1_14 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 118 478 + N_GB1_14 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 118 484 + N_GB1_14 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 118 485 H_GB1_14 H_GB1_14 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 119 119 H_GB1_14 O_GB1_14 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 119 122 H_GB1_14 H_GB1_15 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 119 124 @@ -16755,263 +16755,263 @@ CD2_GB1_12 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- H_GB1_14 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 119 488 H_GB1_14 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 119 490 H_GB1_14 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 119 491 - CA_GB1_14 C_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 121 + CA_GB1_14 C_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 121 CA_GB1_14 O_GB1_14 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 120 122 - CA_GB1_14 N_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 120 123 - CA_GB1_14 CD_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 128 - CA_GB1_14 OE1_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 120 129 - CA_GB1_14 OE2_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 120 130 - CA_GB1_14 C_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 131 + CA_GB1_14 N_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 120 123 + CA_GB1_14 CD_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 128 + CA_GB1_14 OE1_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 120 129 + CA_GB1_14 OE2_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 120 130 + CA_GB1_14 C_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 131 CA_GB1_14 O_GB1_15 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 120 132 - CA_GB1_14 N_GB1_16 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 120 133 - CA_GB1_14 OG1_GB1_16 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 120 137 - CA_GB1_14 C_GB1_16 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 139 + CA_GB1_14 N_GB1_16 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 120 133 + CA_GB1_14 OG1_GB1_16 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 120 137 + CA_GB1_14 C_GB1_16 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 139 CA_GB1_14 O_GB1_16 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 120 140 - CA_GB1_14 N_GB1_17 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 120 141 - CA_GB1_14 OG1_GB1_17 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 120 145 - CA_GB1_14 C_GB1_17 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 147 + CA_GB1_14 N_GB1_17 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 120 141 + CA_GB1_14 OG1_GB1_17 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 120 145 + CA_GB1_14 C_GB1_17 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 147 CA_GB1_14 O_GB1_17 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 120 148 - CA_GB1_14 N_GB1_18 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 120 149 - CA_GB1_14 OG1_GB1_18 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 120 153 - CA_GB1_14 C_GB1_18 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 155 + CA_GB1_14 N_GB1_18 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 120 149 + CA_GB1_14 OG1_GB1_18 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 120 153 + CA_GB1_14 C_GB1_18 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 155 CA_GB1_14 O_GB1_18 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 120 156 - CA_GB1_14 N_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 120 157 - CA_GB1_14 CD_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 162 - CA_GB1_14 OE1_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 120 163 - CA_GB1_14 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 120 164 - CA_GB1_14 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 165 + CA_GB1_14 N_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 120 157 + CA_GB1_14 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 162 + CA_GB1_14 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 120 163 + CA_GB1_14 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 120 164 + CA_GB1_14 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 165 CA_GB1_14 O_GB1_19 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 120 166 - CA_GB1_14 N_GB1_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 120 167 - CA_GB1_14 C_GB1_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 171 + CA_GB1_14 N_GB1_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 120 167 + CA_GB1_14 C_GB1_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 171 CA_GB1_14 O_GB1_20 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 120 172 - CA_GB1_14 N_GB1_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 120 173 - CA_GB1_14 C_GB1_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 179 + CA_GB1_14 N_GB1_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 120 173 + CA_GB1_14 C_GB1_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 179 CA_GB1_14 O_GB1_21 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 120 180 - CA_GB1_14 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 120 181 - CA_GB1_14 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 185 - CA_GB1_14 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 120 186 - CA_GB1_14 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 120 187 - CA_GB1_14 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 188 + CA_GB1_14 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 120 181 + CA_GB1_14 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 185 + CA_GB1_14 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 120 186 + CA_GB1_14 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 120 187 + CA_GB1_14 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 188 CA_GB1_14 O_GB1_22 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 120 189 - CA_GB1_14 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 120 190 - CA_GB1_14 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 194 + CA_GB1_14 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 120 190 + CA_GB1_14 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 194 CA_GB1_14 O_GB1_23 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 120 195 - CA_GB1_14 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 120 196 - CA_GB1_14 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 200 + CA_GB1_14 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 120 196 + CA_GB1_14 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 200 CA_GB1_14 O_GB1_24 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 120 201 - CA_GB1_14 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 120 202 - CA_GB1_14 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 120 206 - CA_GB1_14 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 208 + CA_GB1_14 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 120 202 + CA_GB1_14 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 120 206 + CA_GB1_14 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 208 CA_GB1_14 O_GB1_25 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 120 209 - CA_GB1_14 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 120 210 - CA_GB1_14 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 214 + CA_GB1_14 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 120 210 + CA_GB1_14 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 214 CA_GB1_14 O_GB1_26 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 120 215 - CA_GB1_14 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 120 216 - CA_GB1_14 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 221 - CA_GB1_14 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 120 222 - CA_GB1_14 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 120 223 - CA_GB1_14 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 224 + CA_GB1_14 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 120 216 + CA_GB1_14 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 221 + CA_GB1_14 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 120 222 + CA_GB1_14 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 120 223 + CA_GB1_14 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 224 CA_GB1_14 O_GB1_27 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 120 225 - CA_GB1_14 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 120 226 - CA_GB1_14 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 120 233 - CA_GB1_14 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 234 + CA_GB1_14 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 120 226 + CA_GB1_14 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 120 233 + CA_GB1_14 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 234 CA_GB1_14 O_GB1_28 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 120 235 - CA_GB1_14 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 120 236 - CA_GB1_14 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 242 + CA_GB1_14 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 120 236 + CA_GB1_14 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 242 CA_GB1_14 O_GB1_29 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 120 243 - CA_GB1_14 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 120 244 - CA_GB1_14 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 254 + CA_GB1_14 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 120 244 + CA_GB1_14 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 254 CA_GB1_14 O_GB1_30 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 120 255 - CA_GB1_14 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 120 256 - CA_GB1_14 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 120 263 - CA_GB1_14 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 264 + CA_GB1_14 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 120 256 + CA_GB1_14 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 120 263 + CA_GB1_14 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 264 CA_GB1_14 O_GB1_31 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 120 265 - CA_GB1_14 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 120 266 - CA_GB1_14 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 271 + CA_GB1_14 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 120 266 + CA_GB1_14 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 271 CA_GB1_14 OE1_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 120 272 - CA_GB1_14 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 120 273 - CA_GB1_14 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 274 + CA_GB1_14 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 120 273 + CA_GB1_14 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 274 CA_GB1_14 O_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 120 275 - CA_GB1_14 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 120 276 - CA_GB1_14 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 120 286 - CA_GB1_14 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 287 + CA_GB1_14 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 120 276 + CA_GB1_14 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 120 286 + CA_GB1_14 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 287 CA_GB1_14 O_GB1_33 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 120 288 - CA_GB1_14 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 120 289 - CA_GB1_14 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 293 + CA_GB1_14 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 120 289 + CA_GB1_14 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 293 CA_GB1_14 O_GB1_34 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 120 294 - CA_GB1_14 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 120 295 - CA_GB1_14 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 299 + CA_GB1_14 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 120 295 + CA_GB1_14 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 299 CA_GB1_14 OD1_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 120 300 - CA_GB1_14 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 120 301 - CA_GB1_14 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 302 + CA_GB1_14 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 120 301 + CA_GB1_14 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 302 CA_GB1_14 O_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 120 303 - CA_GB1_14 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 120 304 - CA_GB1_14 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 308 - CA_GB1_14 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 120 309 - CA_GB1_14 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 120 310 - CA_GB1_14 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 311 + CA_GB1_14 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 120 304 + CA_GB1_14 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 308 + CA_GB1_14 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 120 309 + CA_GB1_14 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 120 310 + CA_GB1_14 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 311 CA_GB1_14 O_GB1_36 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 120 312 - CA_GB1_14 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 120 313 - CA_GB1_14 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 317 + CA_GB1_14 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 120 313 + CA_GB1_14 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 317 CA_GB1_14 OD1_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 120 318 - CA_GB1_14 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 120 319 - CA_GB1_14 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 320 + CA_GB1_14 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 120 319 + CA_GB1_14 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 320 CA_GB1_14 O_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 120 321 - CA_GB1_14 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 120 322 - CA_GB1_14 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 325 + CA_GB1_14 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 120 322 + CA_GB1_14 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 325 CA_GB1_14 O_GB1_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 120 326 - CA_GB1_14 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 120 327 - CA_GB1_14 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 333 + CA_GB1_14 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 120 327 + CA_GB1_14 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 333 CA_GB1_14 O_GB1_39 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 120 334 - CA_GB1_14 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 120 335 - CA_GB1_14 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 339 - CA_GB1_14 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 120 340 - CA_GB1_14 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 120 341 - CA_GB1_14 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 342 + CA_GB1_14 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 120 335 + CA_GB1_14 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 339 + CA_GB1_14 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 120 340 + CA_GB1_14 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 120 341 + CA_GB1_14 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 342 CA_GB1_14 O_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 120 343 - CA_GB1_14 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 120 344 - CA_GB1_14 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 347 + CA_GB1_14 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 120 344 + CA_GB1_14 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 347 CA_GB1_14 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 120 348 - CA_GB1_14 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 120 349 - CA_GB1_14 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 354 - CA_GB1_14 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 120 355 - CA_GB1_14 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 120 356 - CA_GB1_14 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 357 + CA_GB1_14 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 120 349 + CA_GB1_14 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 354 + CA_GB1_14 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 120 355 + CA_GB1_14 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 120 356 + CA_GB1_14 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 357 CA_GB1_14 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 120 358 - CA_GB1_14 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 120 359 - CA_GB1_14 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 120 366 - CA_GB1_14 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 372 + CA_GB1_14 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 120 359 + CA_GB1_14 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 120 366 + CA_GB1_14 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 372 CA_GB1_14 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 120 373 - CA_GB1_14 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 120 374 - CA_GB1_14 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 120 378 - CA_GB1_14 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 380 + CA_GB1_14 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 120 374 + CA_GB1_14 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 120 378 + CA_GB1_14 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 380 CA_GB1_14 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 120 381 - CA_GB1_14 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 120 382 - CA_GB1_14 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 120 392 - CA_GB1_14 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 393 + CA_GB1_14 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 120 382 + CA_GB1_14 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 120 392 + CA_GB1_14 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 393 CA_GB1_14 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 120 394 - CA_GB1_14 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 120 395 - CA_GB1_14 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 399 - CA_GB1_14 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 120 400 - CA_GB1_14 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 120 401 - CA_GB1_14 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 402 + CA_GB1_14 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 120 395 + CA_GB1_14 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 399 + CA_GB1_14 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 120 400 + CA_GB1_14 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 120 401 + CA_GB1_14 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 402 CA_GB1_14 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 120 403 - CA_GB1_14 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 120 404 - CA_GB1_14 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 408 - CA_GB1_14 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 120 409 - CA_GB1_14 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 120 410 - CA_GB1_14 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 411 + CA_GB1_14 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 120 404 + CA_GB1_14 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 408 + CA_GB1_14 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 120 409 + CA_GB1_14 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 120 410 + CA_GB1_14 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 411 CA_GB1_14 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 120 412 - CA_GB1_14 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 120 413 - CA_GB1_14 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 417 + CA_GB1_14 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 120 413 + CA_GB1_14 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 417 CA_GB1_14 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 120 418 - CA_GB1_14 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 120 419 - CA_GB1_14 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 120 423 - CA_GB1_14 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 425 + CA_GB1_14 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 120 419 + CA_GB1_14 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 120 423 + CA_GB1_14 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 425 CA_GB1_14 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 120 426 - CA_GB1_14 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 120 427 - CA_GB1_14 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 120 434 - CA_GB1_14 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 435 + CA_GB1_14 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 120 427 + CA_GB1_14 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 120 434 + CA_GB1_14 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 435 CA_GB1_14 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 120 436 - CA_GB1_14 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 120 437 - CA_GB1_14 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 120 441 - CA_GB1_14 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 443 + CA_GB1_14 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 120 437 + CA_GB1_14 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 120 441 + CA_GB1_14 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 443 CA_GB1_14 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 120 444 - CA_GB1_14 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 120 445 - CA_GB1_14 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 455 + CA_GB1_14 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 120 445 + CA_GB1_14 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 455 CA_GB1_14 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 120 456 - CA_GB1_14 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 120 457 - CA_GB1_14 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 120 461 - CA_GB1_14 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 463 + CA_GB1_14 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 120 457 + CA_GB1_14 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 120 461 + CA_GB1_14 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 463 CA_GB1_14 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 120 464 - CA_GB1_14 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 120 465 - CA_GB1_14 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 471 + CA_GB1_14 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 120 465 + CA_GB1_14 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 471 CA_GB1_14 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 120 472 - CA_GB1_14 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 120 473 - CA_GB1_14 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 120 477 - CA_GB1_14 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 479 + CA_GB1_14 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 120 473 + CA_GB1_14 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 120 477 + CA_GB1_14 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 479 CA_GB1_14 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 120 480 - CA_GB1_14 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 120 481 - CA_GB1_14 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 486 - CA_GB1_14 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 120 487 - CA_GB1_14 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 120 488 - CA_GB1_14 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 120 489 - CA_GB1_14 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 120 490 - CA_GB1_14 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 120 491 - C_GB1_14 CB_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 121 126 - C_GB1_14 CG_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 121 127 - C_GB1_14 CB_GB1_16 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 121 136 - C_GB1_14 CG2_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 121 138 - C_GB1_14 CB_GB1_17 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 121 144 - C_GB1_14 CG2_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 121 146 - C_GB1_14 CB_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 121 152 - C_GB1_14 CG2_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 121 154 - C_GB1_14 CB_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 121 160 - C_GB1_14 CG_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 121 161 - C_GB1_14 CB_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 121 170 - C_GB1_14 CB_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 121 176 - C_GB1_14 CG1_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 121 177 - C_GB1_14 CG2_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 121 178 - C_GB1_14 CB_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 121 184 - C_GB1_14 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 121 193 - C_GB1_14 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 121 199 - C_GB1_14 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 121 205 - C_GB1_14 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 121 207 - C_GB1_14 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 121 213 - C_GB1_14 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 121 219 - C_GB1_14 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 121 220 - C_GB1_14 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 121 229 - C_GB1_14 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 121 230 - C_GB1_14 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 121 231 - C_GB1_14 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 121 232 - C_GB1_14 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 121 239 - C_GB1_14 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 121 240 - C_GB1_14 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 121 241 - C_GB1_14 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 121 247 - C_GB1_14 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 121 259 - C_GB1_14 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 121 260 - C_GB1_14 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 121 261 - C_GB1_14 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 121 262 - C_GB1_14 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 121 269 - C_GB1_14 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 121 270 - C_GB1_14 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 121 279 - C_GB1_14 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 121 292 - C_GB1_14 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 121 298 - C_GB1_14 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 121 307 - C_GB1_14 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 121 316 - C_GB1_14 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 121 324 - C_GB1_14 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 121 330 - C_GB1_14 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 121 331 - C_GB1_14 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 121 332 - C_GB1_14 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 121 338 - C_GB1_14 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 121 346 - C_GB1_14 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 121 352 - C_GB1_14 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 121 353 - C_GB1_14 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 121 362 - C_GB1_14 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 121 377 - C_GB1_14 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 121 379 - C_GB1_14 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 121 385 - C_GB1_14 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 121 398 - C_GB1_14 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 121 407 - C_GB1_14 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 121 416 - C_GB1_14 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 121 422 - C_GB1_14 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 121 424 - C_GB1_14 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 121 430 - C_GB1_14 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 121 431 - C_GB1_14 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 121 432 - C_GB1_14 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 121 433 - C_GB1_14 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 121 440 - C_GB1_14 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 121 442 - C_GB1_14 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 121 448 - C_GB1_14 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 121 460 - C_GB1_14 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 121 462 - C_GB1_14 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 121 468 - C_GB1_14 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 121 469 - C_GB1_14 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 121 470 - C_GB1_14 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 121 476 - C_GB1_14 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 121 478 - C_GB1_14 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 121 484 - C_GB1_14 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 121 485 + CA_GB1_14 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 120 481 + CA_GB1_14 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 486 + CA_GB1_14 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 120 487 + CA_GB1_14 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 120 488 + CA_GB1_14 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 120 489 + CA_GB1_14 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 120 490 + CA_GB1_14 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 120 491 + C_GB1_14 CB_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 121 126 + C_GB1_14 CG_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 121 127 + C_GB1_14 CB_GB1_16 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 121 136 + C_GB1_14 CG2_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 121 138 + C_GB1_14 CB_GB1_17 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 121 144 + C_GB1_14 CG2_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 121 146 + C_GB1_14 CB_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 121 152 + C_GB1_14 CG2_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 121 154 + C_GB1_14 CB_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 121 160 + C_GB1_14 CG_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 121 161 + C_GB1_14 CB_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 121 170 + C_GB1_14 CB_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 121 176 + C_GB1_14 CG1_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 121 177 + C_GB1_14 CG2_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 121 178 + C_GB1_14 CB_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 121 184 + C_GB1_14 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 121 193 + C_GB1_14 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 121 199 + C_GB1_14 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 121 205 + C_GB1_14 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 121 207 + C_GB1_14 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 121 213 + C_GB1_14 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 121 219 + C_GB1_14 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 121 220 + C_GB1_14 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 121 229 + C_GB1_14 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 121 230 + C_GB1_14 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 121 231 + C_GB1_14 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 121 232 + C_GB1_14 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 121 239 + C_GB1_14 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 121 240 + C_GB1_14 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 121 241 + C_GB1_14 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 121 247 + C_GB1_14 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 121 259 + C_GB1_14 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 121 260 + C_GB1_14 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 121 261 + C_GB1_14 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 121 262 + C_GB1_14 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 121 269 + C_GB1_14 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 121 270 + C_GB1_14 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 121 279 + C_GB1_14 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 121 292 + C_GB1_14 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 121 298 + C_GB1_14 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 121 307 + C_GB1_14 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 121 316 + C_GB1_14 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 121 324 + C_GB1_14 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 121 330 + C_GB1_14 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 121 331 + C_GB1_14 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 121 332 + C_GB1_14 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 121 338 + C_GB1_14 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 121 346 + C_GB1_14 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 121 352 + C_GB1_14 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 121 353 + C_GB1_14 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 121 362 + C_GB1_14 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 121 377 + C_GB1_14 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 121 379 + C_GB1_14 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 121 385 + C_GB1_14 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 121 398 + C_GB1_14 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 121 407 + C_GB1_14 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 121 416 + C_GB1_14 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 121 422 + C_GB1_14 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 121 424 + C_GB1_14 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 121 430 + C_GB1_14 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 121 431 + C_GB1_14 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 121 432 + C_GB1_14 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 121 433 + C_GB1_14 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 121 440 + C_GB1_14 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 121 442 + C_GB1_14 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 121 448 + C_GB1_14 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 121 460 + C_GB1_14 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 121 462 + C_GB1_14 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 121 468 + C_GB1_14 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 121 469 + C_GB1_14 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 121 470 + C_GB1_14 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 121 476 + C_GB1_14 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 121 478 + C_GB1_14 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 121 484 + C_GB1_14 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 121 485 O_GB1_14 O_GB1_14 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 122 122 O_GB1_14 H_GB1_15 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 122 124 O_GB1_14 CB_GB1_15 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 122 126 @@ -17195,80 +17195,80 @@ CD2_GB1_12 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- O_GB1_14 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 122 488 O_GB1_14 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 122 490 O_GB1_14 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 122 491 - N_GB1_15 CB_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 123 126 - N_GB1_15 CG_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 123 127 - N_GB1_15 CB_GB1_16 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 123 136 - N_GB1_15 CG2_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 123 138 - N_GB1_15 CB_GB1_17 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 123 144 - N_GB1_15 CG2_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 123 146 - N_GB1_15 CB_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 123 152 - N_GB1_15 CG2_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 123 154 - N_GB1_15 CB_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 123 160 - N_GB1_15 CG_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 123 161 - N_GB1_15 CB_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 123 170 - N_GB1_15 CB_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 123 176 - N_GB1_15 CG1_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 123 177 - N_GB1_15 CG2_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 123 178 - N_GB1_15 CB_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 123 184 - N_GB1_15 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 123 193 - N_GB1_15 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 123 199 - N_GB1_15 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 123 205 - N_GB1_15 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 123 207 - N_GB1_15 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 123 213 - N_GB1_15 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 123 219 - N_GB1_15 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 123 220 - N_GB1_15 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 123 229 - N_GB1_15 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 123 230 - N_GB1_15 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 123 231 - N_GB1_15 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 123 232 - N_GB1_15 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 123 239 - N_GB1_15 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 123 240 - N_GB1_15 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 123 241 - N_GB1_15 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 123 247 - N_GB1_15 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 123 259 - N_GB1_15 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 123 260 - N_GB1_15 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 123 261 - N_GB1_15 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 123 262 - N_GB1_15 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 123 269 - N_GB1_15 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 123 270 - N_GB1_15 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 123 279 - N_GB1_15 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 123 292 - N_GB1_15 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 123 298 - N_GB1_15 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 123 307 - N_GB1_15 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 123 316 - N_GB1_15 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 123 324 - N_GB1_15 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 123 330 - N_GB1_15 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 123 331 - N_GB1_15 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 123 332 - N_GB1_15 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 123 338 - N_GB1_15 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 123 346 - N_GB1_15 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 123 352 - N_GB1_15 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 123 353 - N_GB1_15 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 123 362 - N_GB1_15 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 123 377 - N_GB1_15 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 123 379 - N_GB1_15 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 123 385 - N_GB1_15 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 123 398 - N_GB1_15 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 123 407 - N_GB1_15 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 123 416 - N_GB1_15 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 123 422 - N_GB1_15 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 123 424 - N_GB1_15 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 123 430 - N_GB1_15 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 123 431 - N_GB1_15 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 123 432 - N_GB1_15 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 123 433 - N_GB1_15 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 123 440 - N_GB1_15 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 123 442 - N_GB1_15 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 123 448 - N_GB1_15 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 123 460 - N_GB1_15 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 123 462 - N_GB1_15 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 123 468 - N_GB1_15 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 123 469 - N_GB1_15 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 123 470 - N_GB1_15 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 123 476 - N_GB1_15 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 123 478 - N_GB1_15 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 123 484 - N_GB1_15 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 123 485 + N_GB1_15 CB_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 123 126 + N_GB1_15 CG_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 123 127 + N_GB1_15 CB_GB1_16 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 123 136 + N_GB1_15 CG2_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 123 138 + N_GB1_15 CB_GB1_17 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 123 144 + N_GB1_15 CG2_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 123 146 + N_GB1_15 CB_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 123 152 + N_GB1_15 CG2_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 123 154 + N_GB1_15 CB_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 123 160 + N_GB1_15 CG_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 123 161 + N_GB1_15 CB_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 123 170 + N_GB1_15 CB_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 123 176 + N_GB1_15 CG1_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 123 177 + N_GB1_15 CG2_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 123 178 + N_GB1_15 CB_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 123 184 + N_GB1_15 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 123 193 + N_GB1_15 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 123 199 + N_GB1_15 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 123 205 + N_GB1_15 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 123 207 + N_GB1_15 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 123 213 + N_GB1_15 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 123 219 + N_GB1_15 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 123 220 + N_GB1_15 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 123 229 + N_GB1_15 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 123 230 + N_GB1_15 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 123 231 + N_GB1_15 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 123 232 + N_GB1_15 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 123 239 + N_GB1_15 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 123 240 + N_GB1_15 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 123 241 + N_GB1_15 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 123 247 + N_GB1_15 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 123 259 + N_GB1_15 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 123 260 + N_GB1_15 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 123 261 + N_GB1_15 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 123 262 + N_GB1_15 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 123 269 + N_GB1_15 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 123 270 + N_GB1_15 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 123 279 + N_GB1_15 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 123 292 + N_GB1_15 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 123 298 + N_GB1_15 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 123 307 + N_GB1_15 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 123 316 + N_GB1_15 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 123 324 + N_GB1_15 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 123 330 + N_GB1_15 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 123 331 + N_GB1_15 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 123 332 + N_GB1_15 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 123 338 + N_GB1_15 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 123 346 + N_GB1_15 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 123 352 + N_GB1_15 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 123 353 + N_GB1_15 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 123 362 + N_GB1_15 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 123 377 + N_GB1_15 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 123 379 + N_GB1_15 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 123 385 + N_GB1_15 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 123 398 + N_GB1_15 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 123 407 + N_GB1_15 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 123 416 + N_GB1_15 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 123 422 + N_GB1_15 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 123 424 + N_GB1_15 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 123 430 + N_GB1_15 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 123 431 + N_GB1_15 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 123 432 + N_GB1_15 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 123 433 + N_GB1_15 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 123 440 + N_GB1_15 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 123 442 + N_GB1_15 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 123 448 + N_GB1_15 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 123 460 + N_GB1_15 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 123 462 + N_GB1_15 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 123 468 + N_GB1_15 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 123 469 + N_GB1_15 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 123 470 + N_GB1_15 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 123 476 + N_GB1_15 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 123 478 + N_GB1_15 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 123 484 + N_GB1_15 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 123 485 H_GB1_15 H_GB1_15 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 124 124 H_GB1_15 OE1_GB1_15 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 124 129 H_GB1_15 OE2_GB1_15 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 124 130 @@ -17388,456 +17388,456 @@ CD2_GB1_12 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- H_GB1_15 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 124 488 H_GB1_15 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 124 490 H_GB1_15 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 124 491 - CB_GB1_15 CD_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 128 - CB_GB1_15 OE1_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 126 129 - CB_GB1_15 OE2_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 126 130 - CB_GB1_15 C_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 131 + CB_GB1_15 CD_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 128 + CB_GB1_15 OE1_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 126 129 + CB_GB1_15 OE2_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 126 130 + CB_GB1_15 C_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 131 CB_GB1_15 O_GB1_15 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 126 132 - CB_GB1_15 N_GB1_16 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 126 133 - CB_GB1_15 OG1_GB1_16 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 126 137 - CB_GB1_15 C_GB1_16 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 139 + CB_GB1_15 N_GB1_16 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 126 133 + CB_GB1_15 OG1_GB1_16 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 126 137 + CB_GB1_15 C_GB1_16 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 139 CB_GB1_15 O_GB1_16 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 126 140 - CB_GB1_15 N_GB1_17 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 126 141 - CB_GB1_15 OG1_GB1_17 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 126 145 - CB_GB1_15 C_GB1_17 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 147 + CB_GB1_15 N_GB1_17 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 126 141 + CB_GB1_15 OG1_GB1_17 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 126 145 + CB_GB1_15 C_GB1_17 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 147 CB_GB1_15 O_GB1_17 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 126 148 - CB_GB1_15 N_GB1_18 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 126 149 - CB_GB1_15 OG1_GB1_18 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 126 153 - CB_GB1_15 C_GB1_18 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 155 + CB_GB1_15 N_GB1_18 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 126 149 + CB_GB1_15 OG1_GB1_18 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 126 153 + CB_GB1_15 C_GB1_18 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 155 CB_GB1_15 O_GB1_18 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 126 156 - CB_GB1_15 N_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 126 157 - CB_GB1_15 CD_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 162 - CB_GB1_15 OE1_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 126 163 - CB_GB1_15 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 126 164 - CB_GB1_15 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 165 + CB_GB1_15 N_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 126 157 + CB_GB1_15 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 162 + CB_GB1_15 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 126 163 + CB_GB1_15 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 126 164 + CB_GB1_15 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 165 CB_GB1_15 O_GB1_19 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 126 166 - CB_GB1_15 N_GB1_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 126 167 - CB_GB1_15 C_GB1_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 171 + CB_GB1_15 N_GB1_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 126 167 + CB_GB1_15 C_GB1_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 171 CB_GB1_15 O_GB1_20 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 126 172 - CB_GB1_15 N_GB1_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 126 173 - CB_GB1_15 C_GB1_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 179 + CB_GB1_15 N_GB1_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 126 173 + CB_GB1_15 C_GB1_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 179 CB_GB1_15 O_GB1_21 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 126 180 - CB_GB1_15 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 126 181 - CB_GB1_15 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 185 - CB_GB1_15 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 126 186 - CB_GB1_15 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 126 187 - CB_GB1_15 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 188 + CB_GB1_15 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 126 181 + CB_GB1_15 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 185 + CB_GB1_15 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 126 186 + CB_GB1_15 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 126 187 + CB_GB1_15 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 188 CB_GB1_15 O_GB1_22 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 126 189 - CB_GB1_15 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 126 190 - CB_GB1_15 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 194 + CB_GB1_15 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 126 190 + CB_GB1_15 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 194 CB_GB1_15 O_GB1_23 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 126 195 - CB_GB1_15 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 126 196 - CB_GB1_15 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 200 + CB_GB1_15 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 126 196 + CB_GB1_15 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 200 CB_GB1_15 O_GB1_24 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 126 201 - CB_GB1_15 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 126 202 - CB_GB1_15 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 126 206 - CB_GB1_15 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 208 + CB_GB1_15 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 126 202 + CB_GB1_15 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 126 206 + CB_GB1_15 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 208 CB_GB1_15 O_GB1_25 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 126 209 - CB_GB1_15 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 126 210 - CB_GB1_15 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 214 + CB_GB1_15 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 126 210 + CB_GB1_15 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 214 CB_GB1_15 O_GB1_26 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 126 215 - CB_GB1_15 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 126 216 - CB_GB1_15 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 221 - CB_GB1_15 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 126 222 - CB_GB1_15 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 126 223 - CB_GB1_15 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 224 + CB_GB1_15 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 126 216 + CB_GB1_15 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 221 + CB_GB1_15 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 126 222 + CB_GB1_15 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 126 223 + CB_GB1_15 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 224 CB_GB1_15 O_GB1_27 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 126 225 - CB_GB1_15 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 126 226 - CB_GB1_15 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 126 233 - CB_GB1_15 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 234 + CB_GB1_15 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 126 226 + CB_GB1_15 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 126 233 + CB_GB1_15 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 234 CB_GB1_15 O_GB1_28 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 126 235 - CB_GB1_15 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 126 236 - CB_GB1_15 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 242 + CB_GB1_15 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 126 236 + CB_GB1_15 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 242 CB_GB1_15 O_GB1_29 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 126 243 - CB_GB1_15 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 126 244 - CB_GB1_15 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 254 + CB_GB1_15 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 126 244 + CB_GB1_15 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 254 CB_GB1_15 O_GB1_30 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 126 255 - CB_GB1_15 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 126 256 - CB_GB1_15 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 126 263 - CB_GB1_15 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 264 + CB_GB1_15 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 126 256 + CB_GB1_15 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 126 263 + CB_GB1_15 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 264 CB_GB1_15 O_GB1_31 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 126 265 - CB_GB1_15 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 126 266 - CB_GB1_15 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 271 + CB_GB1_15 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 126 266 + CB_GB1_15 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 271 CB_GB1_15 OE1_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 126 272 - CB_GB1_15 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 126 273 - CB_GB1_15 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 274 + CB_GB1_15 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 126 273 + CB_GB1_15 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 274 CB_GB1_15 O_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 126 275 - CB_GB1_15 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 126 276 - CB_GB1_15 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 126 286 - CB_GB1_15 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 287 + CB_GB1_15 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 126 276 + CB_GB1_15 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 126 286 + CB_GB1_15 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 287 CB_GB1_15 O_GB1_33 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 126 288 - CB_GB1_15 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 126 289 - CB_GB1_15 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 293 + CB_GB1_15 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 126 289 + CB_GB1_15 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 293 CB_GB1_15 O_GB1_34 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 126 294 - CB_GB1_15 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 126 295 - CB_GB1_15 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 299 + CB_GB1_15 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 126 295 + CB_GB1_15 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 299 CB_GB1_15 OD1_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 126 300 - CB_GB1_15 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 126 301 - CB_GB1_15 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 302 + CB_GB1_15 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 126 301 + CB_GB1_15 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 302 CB_GB1_15 O_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 126 303 - CB_GB1_15 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 126 304 - CB_GB1_15 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 308 - CB_GB1_15 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 126 309 - CB_GB1_15 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 126 310 - CB_GB1_15 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 311 + CB_GB1_15 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 126 304 + CB_GB1_15 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 308 + CB_GB1_15 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 126 309 + CB_GB1_15 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 126 310 + CB_GB1_15 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 311 CB_GB1_15 O_GB1_36 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 126 312 - CB_GB1_15 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 126 313 - CB_GB1_15 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 317 + CB_GB1_15 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 126 313 + CB_GB1_15 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 317 CB_GB1_15 OD1_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 126 318 - CB_GB1_15 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 126 319 - CB_GB1_15 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 320 + CB_GB1_15 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 126 319 + CB_GB1_15 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 320 CB_GB1_15 O_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 126 321 - CB_GB1_15 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 126 322 - CB_GB1_15 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 325 + CB_GB1_15 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 126 322 + CB_GB1_15 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 325 CB_GB1_15 O_GB1_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 126 326 - CB_GB1_15 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 126 327 - CB_GB1_15 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 333 + CB_GB1_15 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 126 327 + CB_GB1_15 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 333 CB_GB1_15 O_GB1_39 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 126 334 - CB_GB1_15 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 126 335 - CB_GB1_15 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 339 - CB_GB1_15 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 126 340 - CB_GB1_15 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 126 341 - CB_GB1_15 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 342 + CB_GB1_15 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 126 335 + CB_GB1_15 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 339 + CB_GB1_15 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 126 340 + CB_GB1_15 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 126 341 + CB_GB1_15 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 342 CB_GB1_15 O_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 126 343 - CB_GB1_15 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 126 344 - CB_GB1_15 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 347 + CB_GB1_15 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 126 344 + CB_GB1_15 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 347 CB_GB1_15 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 126 348 - CB_GB1_15 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 126 349 - CB_GB1_15 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 354 - CB_GB1_15 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 126 355 - CB_GB1_15 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 126 356 - CB_GB1_15 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 357 + CB_GB1_15 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 126 349 + CB_GB1_15 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 354 + CB_GB1_15 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 126 355 + CB_GB1_15 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 126 356 + CB_GB1_15 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 357 CB_GB1_15 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 126 358 - CB_GB1_15 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 126 359 - CB_GB1_15 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 126 366 - CB_GB1_15 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 372 + CB_GB1_15 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 126 359 + CB_GB1_15 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 126 366 + CB_GB1_15 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 372 CB_GB1_15 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 126 373 - CB_GB1_15 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 126 374 - CB_GB1_15 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 126 378 - CB_GB1_15 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 380 + CB_GB1_15 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 126 374 + CB_GB1_15 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 126 378 + CB_GB1_15 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 380 CB_GB1_15 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 126 381 - CB_GB1_15 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 126 382 - CB_GB1_15 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 126 392 - CB_GB1_15 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 393 + CB_GB1_15 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 126 382 + CB_GB1_15 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 126 392 + CB_GB1_15 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 393 CB_GB1_15 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 126 394 - CB_GB1_15 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 126 395 - CB_GB1_15 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 399 - CB_GB1_15 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 126 400 - CB_GB1_15 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 126 401 - CB_GB1_15 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 402 + CB_GB1_15 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 126 395 + CB_GB1_15 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 399 + CB_GB1_15 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 126 400 + CB_GB1_15 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 126 401 + CB_GB1_15 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 402 CB_GB1_15 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 126 403 - CB_GB1_15 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 126 404 - CB_GB1_15 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 408 - CB_GB1_15 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 126 409 - CB_GB1_15 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 126 410 - CB_GB1_15 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 411 + CB_GB1_15 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 126 404 + CB_GB1_15 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 408 + CB_GB1_15 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 126 409 + CB_GB1_15 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 126 410 + CB_GB1_15 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 411 CB_GB1_15 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 126 412 - CB_GB1_15 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 126 413 - CB_GB1_15 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 417 + CB_GB1_15 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 126 413 + CB_GB1_15 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 417 CB_GB1_15 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 126 418 - CB_GB1_15 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 126 419 - CB_GB1_15 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 126 423 - CB_GB1_15 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 425 + CB_GB1_15 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 126 419 + CB_GB1_15 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 126 423 + CB_GB1_15 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 425 CB_GB1_15 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 126 426 - CB_GB1_15 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 126 427 - CB_GB1_15 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 126 434 - CB_GB1_15 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 435 + CB_GB1_15 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 126 427 + CB_GB1_15 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 126 434 + CB_GB1_15 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 435 CB_GB1_15 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 126 436 - CB_GB1_15 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 126 437 - CB_GB1_15 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 126 441 - CB_GB1_15 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 443 + CB_GB1_15 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 126 437 + CB_GB1_15 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 126 441 + CB_GB1_15 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 443 CB_GB1_15 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 126 444 - CB_GB1_15 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 126 445 - CB_GB1_15 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 455 + CB_GB1_15 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 126 445 + CB_GB1_15 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 455 CB_GB1_15 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 126 456 - CB_GB1_15 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 126 457 - CB_GB1_15 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 126 461 - CB_GB1_15 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 463 + CB_GB1_15 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 126 457 + CB_GB1_15 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 126 461 + CB_GB1_15 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 463 CB_GB1_15 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 126 464 - CB_GB1_15 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 126 465 - CB_GB1_15 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 471 + CB_GB1_15 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 126 465 + CB_GB1_15 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 471 CB_GB1_15 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 126 472 - CB_GB1_15 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 126 473 - CB_GB1_15 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 126 477 - CB_GB1_15 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 479 + CB_GB1_15 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 126 473 + CB_GB1_15 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 126 477 + CB_GB1_15 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 479 CB_GB1_15 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 126 480 - CB_GB1_15 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 126 481 - CB_GB1_15 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 486 - CB_GB1_15 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 126 487 - CB_GB1_15 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 126 488 - CB_GB1_15 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 126 489 - CB_GB1_15 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 126 490 - CB_GB1_15 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 126 491 - CG_GB1_15 CD_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 128 - CG_GB1_15 OE1_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 127 129 - CG_GB1_15 OE2_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 127 130 - CG_GB1_15 C_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 131 + CB_GB1_15 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 126 481 + CB_GB1_15 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 486 + CB_GB1_15 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 126 487 + CB_GB1_15 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 126 488 + CB_GB1_15 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 126 489 + CB_GB1_15 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 126 490 + CB_GB1_15 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 126 491 + CG_GB1_15 CD_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 128 + CG_GB1_15 OE1_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 127 129 + CG_GB1_15 OE2_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 127 130 + CG_GB1_15 C_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 131 CG_GB1_15 O_GB1_15 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 127 132 - CG_GB1_15 N_GB1_16 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 127 133 - CG_GB1_15 OG1_GB1_16 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 127 137 - CG_GB1_15 C_GB1_16 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 139 + CG_GB1_15 N_GB1_16 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 127 133 + CG_GB1_15 OG1_GB1_16 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 127 137 + CG_GB1_15 C_GB1_16 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 139 CG_GB1_15 O_GB1_16 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 127 140 - CG_GB1_15 N_GB1_17 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 127 141 - CG_GB1_15 OG1_GB1_17 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 127 145 - CG_GB1_15 C_GB1_17 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 147 + CG_GB1_15 N_GB1_17 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 127 141 + CG_GB1_15 OG1_GB1_17 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 127 145 + CG_GB1_15 C_GB1_17 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 147 CG_GB1_15 O_GB1_17 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 127 148 - CG_GB1_15 N_GB1_18 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 127 149 - CG_GB1_15 OG1_GB1_18 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 127 153 - CG_GB1_15 C_GB1_18 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 155 + CG_GB1_15 N_GB1_18 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 127 149 + CG_GB1_15 OG1_GB1_18 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 127 153 + CG_GB1_15 C_GB1_18 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 155 CG_GB1_15 O_GB1_18 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 127 156 - CG_GB1_15 N_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 127 157 - CG_GB1_15 CD_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 162 - CG_GB1_15 OE1_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 127 163 - CG_GB1_15 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 127 164 - CG_GB1_15 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 165 + CG_GB1_15 N_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 127 157 + CG_GB1_15 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 162 + CG_GB1_15 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 127 163 + CG_GB1_15 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 127 164 + CG_GB1_15 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 165 CG_GB1_15 O_GB1_19 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 127 166 - CG_GB1_15 N_GB1_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 127 167 - CG_GB1_15 C_GB1_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 171 + CG_GB1_15 N_GB1_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 127 167 + CG_GB1_15 C_GB1_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 171 CG_GB1_15 O_GB1_20 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 127 172 - CG_GB1_15 N_GB1_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 127 173 - CG_GB1_15 C_GB1_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 179 + CG_GB1_15 N_GB1_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 127 173 + CG_GB1_15 C_GB1_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 179 CG_GB1_15 O_GB1_21 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 127 180 - CG_GB1_15 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 127 181 - CG_GB1_15 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 185 - CG_GB1_15 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 127 186 - CG_GB1_15 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 127 187 - CG_GB1_15 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 188 + CG_GB1_15 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 127 181 + CG_GB1_15 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 185 + CG_GB1_15 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 127 186 + CG_GB1_15 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 127 187 + CG_GB1_15 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 188 CG_GB1_15 O_GB1_22 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 127 189 - CG_GB1_15 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 127 190 - CG_GB1_15 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 194 + CG_GB1_15 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 127 190 + CG_GB1_15 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 194 CG_GB1_15 O_GB1_23 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 127 195 - CG_GB1_15 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 127 196 - CG_GB1_15 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 200 + CG_GB1_15 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 127 196 + CG_GB1_15 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 200 CG_GB1_15 O_GB1_24 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 127 201 - CG_GB1_15 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 127 202 - CG_GB1_15 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 127 206 - CG_GB1_15 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 208 + CG_GB1_15 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 127 202 + CG_GB1_15 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 127 206 + CG_GB1_15 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 208 CG_GB1_15 O_GB1_25 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 127 209 - CG_GB1_15 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 127 210 - CG_GB1_15 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 214 + CG_GB1_15 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 127 210 + CG_GB1_15 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 214 CG_GB1_15 O_GB1_26 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 127 215 - CG_GB1_15 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 127 216 - CG_GB1_15 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 221 - CG_GB1_15 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 127 222 - CG_GB1_15 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 127 223 - CG_GB1_15 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 224 + CG_GB1_15 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 127 216 + CG_GB1_15 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 221 + CG_GB1_15 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 127 222 + CG_GB1_15 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 127 223 + CG_GB1_15 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 224 CG_GB1_15 O_GB1_27 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 127 225 - CG_GB1_15 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 127 226 - CG_GB1_15 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 127 233 - CG_GB1_15 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 234 + CG_GB1_15 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 127 226 + CG_GB1_15 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 127 233 + CG_GB1_15 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 234 CG_GB1_15 O_GB1_28 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 127 235 - CG_GB1_15 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 127 236 - CG_GB1_15 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 242 + CG_GB1_15 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 127 236 + CG_GB1_15 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 242 CG_GB1_15 O_GB1_29 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 127 243 - CG_GB1_15 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 127 244 - CG_GB1_15 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 254 + CG_GB1_15 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 127 244 + CG_GB1_15 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 254 CG_GB1_15 O_GB1_30 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 127 255 - CG_GB1_15 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 127 256 - CG_GB1_15 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 127 263 - CG_GB1_15 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 264 + CG_GB1_15 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 127 256 + CG_GB1_15 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 127 263 + CG_GB1_15 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 264 CG_GB1_15 O_GB1_31 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 127 265 - CG_GB1_15 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 127 266 - CG_GB1_15 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 271 + CG_GB1_15 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 127 266 + CG_GB1_15 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 271 CG_GB1_15 OE1_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 127 272 - CG_GB1_15 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 127 273 - CG_GB1_15 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 274 + CG_GB1_15 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 127 273 + CG_GB1_15 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 274 CG_GB1_15 O_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 127 275 - CG_GB1_15 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 127 276 - CG_GB1_15 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 127 286 - CG_GB1_15 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 287 + CG_GB1_15 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 127 276 + CG_GB1_15 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 127 286 + CG_GB1_15 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 287 CG_GB1_15 O_GB1_33 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 127 288 - CG_GB1_15 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 127 289 - CG_GB1_15 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 293 + CG_GB1_15 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 127 289 + CG_GB1_15 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 293 CG_GB1_15 O_GB1_34 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 127 294 - CG_GB1_15 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 127 295 - CG_GB1_15 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 299 + CG_GB1_15 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 127 295 + CG_GB1_15 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 299 CG_GB1_15 OD1_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 127 300 - CG_GB1_15 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 127 301 - CG_GB1_15 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 302 + CG_GB1_15 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 127 301 + CG_GB1_15 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 302 CG_GB1_15 O_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 127 303 - CG_GB1_15 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 127 304 - CG_GB1_15 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 308 - CG_GB1_15 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 127 309 - CG_GB1_15 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 127 310 - CG_GB1_15 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 311 + CG_GB1_15 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 127 304 + CG_GB1_15 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 308 + CG_GB1_15 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 127 309 + CG_GB1_15 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 127 310 + CG_GB1_15 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 311 CG_GB1_15 O_GB1_36 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 127 312 - CG_GB1_15 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 127 313 - CG_GB1_15 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 317 + CG_GB1_15 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 127 313 + CG_GB1_15 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 317 CG_GB1_15 OD1_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 127 318 - CG_GB1_15 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 127 319 - CG_GB1_15 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 320 + CG_GB1_15 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 127 319 + CG_GB1_15 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 320 CG_GB1_15 O_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 127 321 - CG_GB1_15 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 127 322 - CG_GB1_15 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 325 + CG_GB1_15 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 127 322 + CG_GB1_15 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 325 CG_GB1_15 O_GB1_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 127 326 - CG_GB1_15 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 127 327 - CG_GB1_15 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 333 + CG_GB1_15 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 127 327 + CG_GB1_15 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 333 CG_GB1_15 O_GB1_39 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 127 334 - CG_GB1_15 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 127 335 - CG_GB1_15 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 339 - CG_GB1_15 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 127 340 - CG_GB1_15 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 127 341 - CG_GB1_15 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 342 + CG_GB1_15 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 127 335 + CG_GB1_15 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 339 + CG_GB1_15 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 127 340 + CG_GB1_15 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 127 341 + CG_GB1_15 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 342 CG_GB1_15 O_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 127 343 - CG_GB1_15 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 127 344 - CG_GB1_15 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 347 + CG_GB1_15 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 127 344 + CG_GB1_15 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 347 CG_GB1_15 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 127 348 - CG_GB1_15 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 127 349 - CG_GB1_15 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 354 - CG_GB1_15 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 127 355 - CG_GB1_15 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 127 356 - CG_GB1_15 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 357 + CG_GB1_15 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 127 349 + CG_GB1_15 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 354 + CG_GB1_15 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 127 355 + CG_GB1_15 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 127 356 + CG_GB1_15 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 357 CG_GB1_15 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 127 358 - CG_GB1_15 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 127 359 - CG_GB1_15 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 127 366 - CG_GB1_15 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 372 + CG_GB1_15 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 127 359 + CG_GB1_15 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 127 366 + CG_GB1_15 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 372 CG_GB1_15 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 127 373 - CG_GB1_15 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 127 374 - CG_GB1_15 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 127 378 - CG_GB1_15 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 380 + CG_GB1_15 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 127 374 + CG_GB1_15 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 127 378 + CG_GB1_15 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 380 CG_GB1_15 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 127 381 - CG_GB1_15 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 127 382 - CG_GB1_15 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 127 392 - CG_GB1_15 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 393 + CG_GB1_15 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 127 382 + CG_GB1_15 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 127 392 + CG_GB1_15 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 393 CG_GB1_15 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 127 394 - CG_GB1_15 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 127 395 - CG_GB1_15 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 399 - CG_GB1_15 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 127 400 - CG_GB1_15 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 127 401 - CG_GB1_15 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 402 + CG_GB1_15 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 127 395 + CG_GB1_15 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 399 + CG_GB1_15 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 127 400 + CG_GB1_15 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 127 401 + CG_GB1_15 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 402 CG_GB1_15 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 127 403 - CG_GB1_15 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 127 404 - CG_GB1_15 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 408 - CG_GB1_15 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 127 409 - CG_GB1_15 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 127 410 - CG_GB1_15 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 411 + CG_GB1_15 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 127 404 + CG_GB1_15 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 408 + CG_GB1_15 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 127 409 + CG_GB1_15 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 127 410 + CG_GB1_15 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 411 CG_GB1_15 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 127 412 - CG_GB1_15 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 127 413 - CG_GB1_15 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 417 + CG_GB1_15 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 127 413 + CG_GB1_15 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 417 CG_GB1_15 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 127 418 - CG_GB1_15 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 127 419 - CG_GB1_15 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 127 423 - CG_GB1_15 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 425 + CG_GB1_15 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 127 419 + CG_GB1_15 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 127 423 + CG_GB1_15 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 425 CG_GB1_15 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 127 426 - CG_GB1_15 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 127 427 - CG_GB1_15 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 127 434 - CG_GB1_15 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 435 + CG_GB1_15 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 127 427 + CG_GB1_15 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 127 434 + CG_GB1_15 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 435 CG_GB1_15 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 127 436 - CG_GB1_15 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 127 437 - CG_GB1_15 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 127 441 - CG_GB1_15 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 443 + CG_GB1_15 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 127 437 + CG_GB1_15 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 127 441 + CG_GB1_15 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 443 CG_GB1_15 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 127 444 - CG_GB1_15 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 127 445 - CG_GB1_15 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 455 + CG_GB1_15 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 127 445 + CG_GB1_15 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 455 CG_GB1_15 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 127 456 - CG_GB1_15 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 127 457 - CG_GB1_15 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 127 461 - CG_GB1_15 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 463 + CG_GB1_15 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 127 457 + CG_GB1_15 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 127 461 + CG_GB1_15 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 463 CG_GB1_15 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 127 464 - CG_GB1_15 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 127 465 - CG_GB1_15 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 471 + CG_GB1_15 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 127 465 + CG_GB1_15 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 471 CG_GB1_15 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 127 472 - CG_GB1_15 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 127 473 - CG_GB1_15 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 127 477 - CG_GB1_15 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 479 + CG_GB1_15 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 127 473 + CG_GB1_15 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 127 477 + CG_GB1_15 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 479 CG_GB1_15 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 127 480 - CG_GB1_15 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 127 481 - CG_GB1_15 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 486 - CG_GB1_15 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 127 487 - CG_GB1_15 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 127 488 - CG_GB1_15 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 127 489 - CG_GB1_15 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 127 490 - CG_GB1_15 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 127 491 - CD_GB1_15 CB_GB1_16 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 128 136 - CD_GB1_15 CG2_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 128 138 - CD_GB1_15 CB_GB1_17 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 128 144 - CD_GB1_15 CG2_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 128 146 - CD_GB1_15 CB_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 128 152 - CD_GB1_15 CG2_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 128 154 - CD_GB1_15 CB_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 128 160 - CD_GB1_15 CG_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 128 161 - CD_GB1_15 CB_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 128 170 - CD_GB1_15 CB_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 128 176 - CD_GB1_15 CG1_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 128 177 - CD_GB1_15 CG2_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 128 178 - CD_GB1_15 CB_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 128 184 - CD_GB1_15 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 128 193 - CD_GB1_15 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 128 199 - CD_GB1_15 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 128 205 - CD_GB1_15 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 128 207 - CD_GB1_15 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 128 213 - CD_GB1_15 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 128 219 - CD_GB1_15 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 128 220 - CD_GB1_15 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 128 229 - CD_GB1_15 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 128 230 - CD_GB1_15 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 128 231 - CD_GB1_15 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 128 232 - CD_GB1_15 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 128 239 - CD_GB1_15 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 128 240 - CD_GB1_15 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 128 241 - CD_GB1_15 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 128 247 - CD_GB1_15 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 128 259 - CD_GB1_15 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 128 260 - CD_GB1_15 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 128 261 - CD_GB1_15 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 128 262 - CD_GB1_15 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 128 269 - CD_GB1_15 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 128 270 - CD_GB1_15 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 128 279 - CD_GB1_15 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 128 292 - CD_GB1_15 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 128 298 - CD_GB1_15 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 128 307 - CD_GB1_15 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 128 316 - CD_GB1_15 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 128 324 - CD_GB1_15 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 128 330 - CD_GB1_15 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 128 331 - CD_GB1_15 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 128 332 - CD_GB1_15 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 128 338 - CD_GB1_15 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 128 346 - CD_GB1_15 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 128 352 - CD_GB1_15 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 128 353 - CD_GB1_15 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 128 362 - CD_GB1_15 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 128 377 - CD_GB1_15 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 128 379 - CD_GB1_15 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 128 385 - CD_GB1_15 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 128 398 - CD_GB1_15 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 128 407 - CD_GB1_15 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 128 416 - CD_GB1_15 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 128 422 - CD_GB1_15 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 128 424 - CD_GB1_15 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 128 430 - CD_GB1_15 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 128 431 - CD_GB1_15 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 128 432 - CD_GB1_15 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 128 433 - CD_GB1_15 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 128 440 - CD_GB1_15 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 128 442 - CD_GB1_15 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 128 448 - CD_GB1_15 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 128 460 - CD_GB1_15 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 128 462 - CD_GB1_15 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 128 468 - CD_GB1_15 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 128 469 - CD_GB1_15 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 128 470 - CD_GB1_15 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 128 476 - CD_GB1_15 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 128 478 - CD_GB1_15 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 128 484 - CD_GB1_15 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 128 485 + CG_GB1_15 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 127 481 + CG_GB1_15 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 486 + CG_GB1_15 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 127 487 + CG_GB1_15 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 127 488 + CG_GB1_15 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 127 489 + CG_GB1_15 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 127 490 + CG_GB1_15 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 127 491 + CD_GB1_15 CB_GB1_16 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 128 136 + CD_GB1_15 CG2_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 128 138 + CD_GB1_15 CB_GB1_17 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 128 144 + CD_GB1_15 CG2_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 128 146 + CD_GB1_15 CB_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 128 152 + CD_GB1_15 CG2_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 128 154 + CD_GB1_15 CB_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 128 160 + CD_GB1_15 CG_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 128 161 + CD_GB1_15 CB_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 128 170 + CD_GB1_15 CB_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 128 176 + CD_GB1_15 CG1_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 128 177 + CD_GB1_15 CG2_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 128 178 + CD_GB1_15 CB_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 128 184 + CD_GB1_15 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 128 193 + CD_GB1_15 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 128 199 + CD_GB1_15 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 128 205 + CD_GB1_15 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 128 207 + CD_GB1_15 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 128 213 + CD_GB1_15 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 128 219 + CD_GB1_15 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 128 220 + CD_GB1_15 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 128 229 + CD_GB1_15 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 128 230 + CD_GB1_15 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 128 231 + CD_GB1_15 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 128 232 + CD_GB1_15 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 128 239 + CD_GB1_15 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 128 240 + CD_GB1_15 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 128 241 + CD_GB1_15 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 128 247 + CD_GB1_15 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 128 259 + CD_GB1_15 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 128 260 + CD_GB1_15 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 128 261 + CD_GB1_15 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 128 262 + CD_GB1_15 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 128 269 + CD_GB1_15 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 128 270 + CD_GB1_15 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 128 279 + CD_GB1_15 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 128 292 + CD_GB1_15 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 128 298 + CD_GB1_15 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 128 307 + CD_GB1_15 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 128 316 + CD_GB1_15 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 128 324 + CD_GB1_15 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 128 330 + CD_GB1_15 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 128 331 + CD_GB1_15 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 128 332 + CD_GB1_15 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 128 338 + CD_GB1_15 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 128 346 + CD_GB1_15 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 128 352 + CD_GB1_15 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 128 353 + CD_GB1_15 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 128 362 + CD_GB1_15 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 128 377 + CD_GB1_15 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 128 379 + CD_GB1_15 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 128 385 + CD_GB1_15 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 128 398 + CD_GB1_15 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 128 407 + CD_GB1_15 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 128 416 + CD_GB1_15 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 128 422 + CD_GB1_15 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 128 424 + CD_GB1_15 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 128 430 + CD_GB1_15 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 128 431 + CD_GB1_15 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 128 432 + CD_GB1_15 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 128 433 + CD_GB1_15 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 128 440 + CD_GB1_15 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 128 442 + CD_GB1_15 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 128 448 + CD_GB1_15 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 128 460 + CD_GB1_15 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 128 462 + CD_GB1_15 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 128 468 + CD_GB1_15 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 128 469 + CD_GB1_15 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 128 470 + CD_GB1_15 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 128 476 + CD_GB1_15 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 128 478 + CD_GB1_15 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 128 484 + CD_GB1_15 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 128 485 OE1_GB1_15 OE1_GB1_15 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 129 OE1_GB1_15 OE2_GB1_15 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 130 OE1_GB1_15 O_GB1_15 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 132 OE1_GB1_15 H_GB1_16 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 129 134 -OE1_GB1_15 CB_GB1_16 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 129 136 +OE1_GB1_15 CB_GB1_16 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 129 136 OE1_GB1_15 CG2_GB1_16 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 129 138 OE1_GB1_15 O_GB1_16 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 140 OE1_GB1_15 H_GB1_17 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 129 142 -OE1_GB1_15 CB_GB1_17 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 129 144 +OE1_GB1_15 CB_GB1_17 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 129 144 OE1_GB1_15 CG2_GB1_17 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 129 146 OE1_GB1_15 O_GB1_17 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 148 OE1_GB1_15 H_GB1_18 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 129 150 -OE1_GB1_15 CB_GB1_18 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 129 152 +OE1_GB1_15 CB_GB1_18 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 129 152 OE1_GB1_15 CG2_GB1_18 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 129 154 OE1_GB1_15 O_GB1_18 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 156 OE1_GB1_15 H_GB1_19 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 129 158 -OE1_GB1_15 CB_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 129 160 -OE1_GB1_15 CG_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 129 161 +OE1_GB1_15 CB_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 129 160 +OE1_GB1_15 CG_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 129 161 OE1_GB1_15 OE1_GB1_19 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 163 OE1_GB1_15 OE2_GB1_19 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 164 OE1_GB1_15 O_GB1_19 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 166 @@ -17845,12 +17845,12 @@ OE1_GB1_15 H_GB1_20 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e- OE1_GB1_15 CB_GB1_20 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 129 170 OE1_GB1_15 O_GB1_20 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 172 OE1_GB1_15 H_GB1_21 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 129 174 -OE1_GB1_15 CB_GB1_21 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 129 176 +OE1_GB1_15 CB_GB1_21 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 129 176 OE1_GB1_15 CG1_GB1_21 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 129 177 OE1_GB1_15 CG2_GB1_21 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 129 178 OE1_GB1_15 O_GB1_21 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 180 OE1_GB1_15 H_GB1_22 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 129 182 -OE1_GB1_15 CB_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 129 184 +OE1_GB1_15 CB_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 129 184 OE1_GB1_15 OD1_GB1_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 186 OE1_GB1_15 OD2_GB1_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 187 OE1_GB1_15 O_GB1_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 189 @@ -17861,101 +17861,101 @@ OE1_GB1_15 H_GB1_24 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e- OE1_GB1_15 CB_GB1_24 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 129 199 OE1_GB1_15 O_GB1_24 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 201 OE1_GB1_15 H_GB1_25 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 129 203 -OE1_GB1_15 CB_GB1_25 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 129 205 +OE1_GB1_15 CB_GB1_25 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 129 205 OE1_GB1_15 CG2_GB1_25 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 129 207 OE1_GB1_15 O_GB1_25 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 209 OE1_GB1_15 H_GB1_26 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 129 211 OE1_GB1_15 CB_GB1_26 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 129 213 OE1_GB1_15 O_GB1_26 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 215 OE1_GB1_15 H_GB1_27 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 129 217 -OE1_GB1_15 CB_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 129 219 -OE1_GB1_15 CG_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 129 220 +OE1_GB1_15 CB_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 129 219 +OE1_GB1_15 CG_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 129 220 OE1_GB1_15 OE1_GB1_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 222 OE1_GB1_15 OE2_GB1_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 223 OE1_GB1_15 O_GB1_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 225 OE1_GB1_15 H_GB1_28 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 129 227 -OE1_GB1_15 CB_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 129 229 -OE1_GB1_15 CG_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 129 230 -OE1_GB1_15 CD_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 129 231 -OE1_GB1_15 CE_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 129 232 +OE1_GB1_15 CB_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 129 229 +OE1_GB1_15 CG_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 129 230 +OE1_GB1_15 CD_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 129 231 +OE1_GB1_15 CE_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 129 232 OE1_GB1_15 O_GB1_28 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 235 OE1_GB1_15 H_GB1_29 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 129 237 -OE1_GB1_15 CB_GB1_29 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 129 239 +OE1_GB1_15 CB_GB1_29 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 129 239 OE1_GB1_15 CG1_GB1_29 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 129 240 OE1_GB1_15 CG2_GB1_29 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 129 241 OE1_GB1_15 O_GB1_29 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 243 OE1_GB1_15 H_GB1_30 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 129 245 -OE1_GB1_15 CB_GB1_30 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 129 247 +OE1_GB1_15 CB_GB1_30 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 129 247 OE1_GB1_15 O_GB1_30 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 255 OE1_GB1_15 H_GB1_31 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 129 257 -OE1_GB1_15 CB_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 129 259 -OE1_GB1_15 CG_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 129 260 -OE1_GB1_15 CD_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 129 261 -OE1_GB1_15 CE_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 129 262 +OE1_GB1_15 CB_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 129 259 +OE1_GB1_15 CG_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 129 260 +OE1_GB1_15 CD_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 129 261 +OE1_GB1_15 CE_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 129 262 OE1_GB1_15 O_GB1_31 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 265 OE1_GB1_15 H_GB1_32 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 129 267 -OE1_GB1_15 CB_GB1_32 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 129 269 -OE1_GB1_15 CG_GB1_32 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 129 270 +OE1_GB1_15 CB_GB1_32 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 129 269 +OE1_GB1_15 CG_GB1_32 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 129 270 OE1_GB1_15 OE1_GB1_32 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 272 OE1_GB1_15 O_GB1_32 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 275 OE1_GB1_15 H_GB1_33 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 129 277 -OE1_GB1_15 CB_GB1_33 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 129 279 +OE1_GB1_15 CB_GB1_33 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 129 279 OE1_GB1_15 O_GB1_33 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 288 OE1_GB1_15 H_GB1_34 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 129 290 OE1_GB1_15 CB_GB1_34 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 129 292 OE1_GB1_15 O_GB1_34 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 294 OE1_GB1_15 H_GB1_35 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 129 296 -OE1_GB1_15 CB_GB1_35 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 129 298 +OE1_GB1_15 CB_GB1_35 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 129 298 OE1_GB1_15 OD1_GB1_35 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 300 OE1_GB1_15 O_GB1_35 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 303 OE1_GB1_15 H_GB1_36 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 129 305 -OE1_GB1_15 CB_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 129 307 +OE1_GB1_15 CB_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 129 307 OE1_GB1_15 OD1_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 309 OE1_GB1_15 OD2_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 310 OE1_GB1_15 O_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 312 OE1_GB1_15 H_GB1_37 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 129 314 -OE1_GB1_15 CB_GB1_37 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 129 316 +OE1_GB1_15 CB_GB1_37 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 129 316 OE1_GB1_15 OD1_GB1_37 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 318 OE1_GB1_15 O_GB1_37 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 321 OE1_GB1_15 H_GB1_38 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 129 323 -OE1_GB1_15 CA_GB1_38 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 129 324 +OE1_GB1_15 CA_GB1_38 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 129 324 OE1_GB1_15 O_GB1_38 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 326 OE1_GB1_15 H_GB1_39 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 129 328 -OE1_GB1_15 CB_GB1_39 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 129 330 +OE1_GB1_15 CB_GB1_39 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 129 330 OE1_GB1_15 CG1_GB1_39 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 129 331 OE1_GB1_15 CG2_GB1_39 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 129 332 OE1_GB1_15 O_GB1_39 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 334 OE1_GB1_15 H_GB1_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 129 336 -OE1_GB1_15 CB_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 129 338 +OE1_GB1_15 CB_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 129 338 OE1_GB1_15 OD1_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 340 OE1_GB1_15 OD2_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 341 OE1_GB1_15 O_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 343 OE1_GB1_15 H_GB1_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 129 345 -OE1_GB1_15 CA_GB1_41 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 129 346 +OE1_GB1_15 CA_GB1_41 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 129 346 OE1_GB1_15 O_GB1_41 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 348 OE1_GB1_15 H_GB1_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 129 350 -OE1_GB1_15 CB_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 129 352 -OE1_GB1_15 CG_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 129 353 +OE1_GB1_15 CB_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 129 352 +OE1_GB1_15 CG_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 129 353 OE1_GB1_15 OE1_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 355 OE1_GB1_15 OE2_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 356 OE1_GB1_15 O_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 358 OE1_GB1_15 H_GB1_43 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 129 360 -OE1_GB1_15 CB_GB1_43 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 129 362 +OE1_GB1_15 CB_GB1_43 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 129 362 OE1_GB1_15 O_GB1_43 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 373 OE1_GB1_15 H_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 129 375 -OE1_GB1_15 CB_GB1_44 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 129 377 +OE1_GB1_15 CB_GB1_44 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 129 377 OE1_GB1_15 CG2_GB1_44 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 129 379 OE1_GB1_15 O_GB1_44 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 381 OE1_GB1_15 H_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 129 383 -OE1_GB1_15 CB_GB1_45 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 129 385 +OE1_GB1_15 CB_GB1_45 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 129 385 OE1_GB1_15 O_GB1_45 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 394 OE1_GB1_15 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 129 396 -OE1_GB1_15 CB_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 129 398 +OE1_GB1_15 CB_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 129 398 OE1_GB1_15 OD1_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 400 OE1_GB1_15 OD2_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 401 OE1_GB1_15 O_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 403 OE1_GB1_15 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 129 405 -OE1_GB1_15 CB_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 129 407 +OE1_GB1_15 CB_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 129 407 OE1_GB1_15 OD1_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 409 OE1_GB1_15 OD2_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 410 OE1_GB1_15 O_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 412 @@ -17963,38 +17963,38 @@ OE1_GB1_15 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e- OE1_GB1_15 CB_GB1_48 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 129 416 OE1_GB1_15 O_GB1_48 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 418 OE1_GB1_15 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 129 420 -OE1_GB1_15 CB_GB1_49 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 129 422 +OE1_GB1_15 CB_GB1_49 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 129 422 OE1_GB1_15 CG2_GB1_49 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 129 424 OE1_GB1_15 O_GB1_49 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 426 OE1_GB1_15 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 129 428 -OE1_GB1_15 CB_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 129 430 -OE1_GB1_15 CG_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 129 431 -OE1_GB1_15 CD_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 129 432 -OE1_GB1_15 CE_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 129 433 +OE1_GB1_15 CB_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 129 430 +OE1_GB1_15 CG_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 129 431 +OE1_GB1_15 CD_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 129 432 +OE1_GB1_15 CE_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 129 433 OE1_GB1_15 O_GB1_50 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 436 OE1_GB1_15 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 129 438 -OE1_GB1_15 CB_GB1_51 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 129 440 +OE1_GB1_15 CB_GB1_51 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 129 440 OE1_GB1_15 CG2_GB1_51 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 129 442 OE1_GB1_15 O_GB1_51 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 444 OE1_GB1_15 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 129 446 -OE1_GB1_15 CB_GB1_52 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 129 448 +OE1_GB1_15 CB_GB1_52 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 129 448 OE1_GB1_15 O_GB1_52 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 456 OE1_GB1_15 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 129 458 -OE1_GB1_15 CB_GB1_53 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 129 460 +OE1_GB1_15 CB_GB1_53 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 129 460 OE1_GB1_15 CG2_GB1_53 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 129 462 OE1_GB1_15 O_GB1_53 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 464 OE1_GB1_15 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 129 466 -OE1_GB1_15 CB_GB1_54 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 129 468 +OE1_GB1_15 CB_GB1_54 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 129 468 OE1_GB1_15 CG1_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 129 469 OE1_GB1_15 CG2_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 129 470 OE1_GB1_15 O_GB1_54 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 472 OE1_GB1_15 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 129 474 -OE1_GB1_15 CB_GB1_55 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 129 476 +OE1_GB1_15 CB_GB1_55 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 129 476 OE1_GB1_15 CG2_GB1_55 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 129 478 OE1_GB1_15 O_GB1_55 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 480 OE1_GB1_15 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 129 482 -OE1_GB1_15 CB_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 129 484 -OE1_GB1_15 CG_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 129 485 +OE1_GB1_15 CB_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 129 484 +OE1_GB1_15 CG_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 129 485 OE1_GB1_15 OE1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 487 OE1_GB1_15 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 488 OE1_GB1_15 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 129 490 @@ -18002,20 +18002,20 @@ OE1_GB1_15 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- OE2_GB1_15 OE2_GB1_15 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 130 OE2_GB1_15 O_GB1_15 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 132 OE2_GB1_15 H_GB1_16 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 130 134 -OE2_GB1_15 CB_GB1_16 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 130 136 +OE2_GB1_15 CB_GB1_16 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 130 136 OE2_GB1_15 CG2_GB1_16 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 130 138 OE2_GB1_15 O_GB1_16 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 140 OE2_GB1_15 H_GB1_17 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 130 142 -OE2_GB1_15 CB_GB1_17 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 130 144 +OE2_GB1_15 CB_GB1_17 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 130 144 OE2_GB1_15 CG2_GB1_17 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 130 146 OE2_GB1_15 O_GB1_17 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 148 OE2_GB1_15 H_GB1_18 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 130 150 -OE2_GB1_15 CB_GB1_18 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 130 152 +OE2_GB1_15 CB_GB1_18 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 130 152 OE2_GB1_15 CG2_GB1_18 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 130 154 OE2_GB1_15 O_GB1_18 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 156 OE2_GB1_15 H_GB1_19 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 130 158 -OE2_GB1_15 CB_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 130 160 -OE2_GB1_15 CG_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 130 161 +OE2_GB1_15 CB_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 130 160 +OE2_GB1_15 CG_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 130 161 OE2_GB1_15 OE1_GB1_19 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 163 OE2_GB1_15 OE2_GB1_19 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 164 OE2_GB1_15 O_GB1_19 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 166 @@ -18023,12 +18023,12 @@ OE2_GB1_15 H_GB1_20 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e- OE2_GB1_15 CB_GB1_20 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 130 170 OE2_GB1_15 O_GB1_20 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 172 OE2_GB1_15 H_GB1_21 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 130 174 -OE2_GB1_15 CB_GB1_21 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 130 176 +OE2_GB1_15 CB_GB1_21 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 130 176 OE2_GB1_15 CG1_GB1_21 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 130 177 OE2_GB1_15 CG2_GB1_21 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 130 178 OE2_GB1_15 O_GB1_21 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 180 OE2_GB1_15 H_GB1_22 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 130 182 -OE2_GB1_15 CB_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 130 184 +OE2_GB1_15 CB_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 130 184 OE2_GB1_15 OD1_GB1_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 186 OE2_GB1_15 OD2_GB1_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 187 OE2_GB1_15 O_GB1_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 189 @@ -18039,101 +18039,101 @@ OE2_GB1_15 H_GB1_24 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e- OE2_GB1_15 CB_GB1_24 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 130 199 OE2_GB1_15 O_GB1_24 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 201 OE2_GB1_15 H_GB1_25 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 130 203 -OE2_GB1_15 CB_GB1_25 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 130 205 +OE2_GB1_15 CB_GB1_25 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 130 205 OE2_GB1_15 CG2_GB1_25 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 130 207 OE2_GB1_15 O_GB1_25 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 209 OE2_GB1_15 H_GB1_26 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 130 211 OE2_GB1_15 CB_GB1_26 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 130 213 OE2_GB1_15 O_GB1_26 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 215 OE2_GB1_15 H_GB1_27 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 130 217 -OE2_GB1_15 CB_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 130 219 -OE2_GB1_15 CG_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 130 220 +OE2_GB1_15 CB_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 130 219 +OE2_GB1_15 CG_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 130 220 OE2_GB1_15 OE1_GB1_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 222 OE2_GB1_15 OE2_GB1_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 223 OE2_GB1_15 O_GB1_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 225 OE2_GB1_15 H_GB1_28 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 130 227 -OE2_GB1_15 CB_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 130 229 -OE2_GB1_15 CG_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 130 230 -OE2_GB1_15 CD_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 130 231 -OE2_GB1_15 CE_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 130 232 +OE2_GB1_15 CB_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 130 229 +OE2_GB1_15 CG_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 130 230 +OE2_GB1_15 CD_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 130 231 +OE2_GB1_15 CE_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 130 232 OE2_GB1_15 O_GB1_28 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 235 OE2_GB1_15 H_GB1_29 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 130 237 -OE2_GB1_15 CB_GB1_29 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 130 239 +OE2_GB1_15 CB_GB1_29 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 130 239 OE2_GB1_15 CG1_GB1_29 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 130 240 OE2_GB1_15 CG2_GB1_29 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 130 241 OE2_GB1_15 O_GB1_29 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 243 OE2_GB1_15 H_GB1_30 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 130 245 -OE2_GB1_15 CB_GB1_30 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 130 247 +OE2_GB1_15 CB_GB1_30 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 130 247 OE2_GB1_15 O_GB1_30 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 255 OE2_GB1_15 H_GB1_31 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 130 257 -OE2_GB1_15 CB_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 130 259 -OE2_GB1_15 CG_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 130 260 -OE2_GB1_15 CD_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 130 261 -OE2_GB1_15 CE_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 130 262 +OE2_GB1_15 CB_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 130 259 +OE2_GB1_15 CG_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 130 260 +OE2_GB1_15 CD_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 130 261 +OE2_GB1_15 CE_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 130 262 OE2_GB1_15 O_GB1_31 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 265 OE2_GB1_15 H_GB1_32 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 130 267 -OE2_GB1_15 CB_GB1_32 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 130 269 -OE2_GB1_15 CG_GB1_32 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 130 270 +OE2_GB1_15 CB_GB1_32 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 130 269 +OE2_GB1_15 CG_GB1_32 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 130 270 OE2_GB1_15 OE1_GB1_32 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 272 OE2_GB1_15 O_GB1_32 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 275 OE2_GB1_15 H_GB1_33 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 130 277 -OE2_GB1_15 CB_GB1_33 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 130 279 +OE2_GB1_15 CB_GB1_33 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 130 279 OE2_GB1_15 O_GB1_33 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 288 OE2_GB1_15 H_GB1_34 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 130 290 OE2_GB1_15 CB_GB1_34 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 130 292 OE2_GB1_15 O_GB1_34 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 294 OE2_GB1_15 H_GB1_35 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 130 296 -OE2_GB1_15 CB_GB1_35 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 130 298 +OE2_GB1_15 CB_GB1_35 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 130 298 OE2_GB1_15 OD1_GB1_35 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 300 OE2_GB1_15 O_GB1_35 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 303 OE2_GB1_15 H_GB1_36 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 130 305 -OE2_GB1_15 CB_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 130 307 +OE2_GB1_15 CB_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 130 307 OE2_GB1_15 OD1_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 309 OE2_GB1_15 OD2_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 310 OE2_GB1_15 O_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 312 OE2_GB1_15 H_GB1_37 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 130 314 -OE2_GB1_15 CB_GB1_37 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 130 316 +OE2_GB1_15 CB_GB1_37 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 130 316 OE2_GB1_15 OD1_GB1_37 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 318 OE2_GB1_15 O_GB1_37 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 321 OE2_GB1_15 H_GB1_38 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 130 323 -OE2_GB1_15 CA_GB1_38 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 130 324 +OE2_GB1_15 CA_GB1_38 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 130 324 OE2_GB1_15 O_GB1_38 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 326 OE2_GB1_15 H_GB1_39 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 130 328 -OE2_GB1_15 CB_GB1_39 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 130 330 +OE2_GB1_15 CB_GB1_39 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 130 330 OE2_GB1_15 CG1_GB1_39 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 130 331 OE2_GB1_15 CG2_GB1_39 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 130 332 OE2_GB1_15 O_GB1_39 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 334 OE2_GB1_15 H_GB1_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 130 336 -OE2_GB1_15 CB_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 130 338 +OE2_GB1_15 CB_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 130 338 OE2_GB1_15 OD1_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 340 OE2_GB1_15 OD2_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 341 OE2_GB1_15 O_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 343 OE2_GB1_15 H_GB1_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 130 345 -OE2_GB1_15 CA_GB1_41 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 130 346 +OE2_GB1_15 CA_GB1_41 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 130 346 OE2_GB1_15 O_GB1_41 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 348 OE2_GB1_15 H_GB1_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 130 350 -OE2_GB1_15 CB_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 130 352 -OE2_GB1_15 CG_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 130 353 +OE2_GB1_15 CB_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 130 352 +OE2_GB1_15 CG_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 130 353 OE2_GB1_15 OE1_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 355 OE2_GB1_15 OE2_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 356 OE2_GB1_15 O_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 358 OE2_GB1_15 H_GB1_43 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 130 360 -OE2_GB1_15 CB_GB1_43 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 130 362 +OE2_GB1_15 CB_GB1_43 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 130 362 OE2_GB1_15 O_GB1_43 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 373 OE2_GB1_15 H_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 130 375 -OE2_GB1_15 CB_GB1_44 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 130 377 +OE2_GB1_15 CB_GB1_44 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 130 377 OE2_GB1_15 CG2_GB1_44 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 130 379 OE2_GB1_15 O_GB1_44 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 381 OE2_GB1_15 H_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 130 383 -OE2_GB1_15 CB_GB1_45 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 130 385 +OE2_GB1_15 CB_GB1_45 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 130 385 OE2_GB1_15 O_GB1_45 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 394 OE2_GB1_15 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 130 396 -OE2_GB1_15 CB_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 130 398 +OE2_GB1_15 CB_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 130 398 OE2_GB1_15 OD1_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 400 OE2_GB1_15 OD2_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 401 OE2_GB1_15 O_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 403 OE2_GB1_15 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 130 405 -OE2_GB1_15 CB_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 130 407 +OE2_GB1_15 CB_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 130 407 OE2_GB1_15 OD1_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 409 OE2_GB1_15 OD2_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 410 OE2_GB1_15 O_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 412 @@ -18141,114 +18141,114 @@ OE2_GB1_15 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e- OE2_GB1_15 CB_GB1_48 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 130 416 OE2_GB1_15 O_GB1_48 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 418 OE2_GB1_15 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 130 420 -OE2_GB1_15 CB_GB1_49 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 130 422 +OE2_GB1_15 CB_GB1_49 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 130 422 OE2_GB1_15 CG2_GB1_49 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 130 424 OE2_GB1_15 O_GB1_49 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 426 OE2_GB1_15 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 130 428 -OE2_GB1_15 CB_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 130 430 -OE2_GB1_15 CG_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 130 431 -OE2_GB1_15 CD_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 130 432 -OE2_GB1_15 CE_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 130 433 +OE2_GB1_15 CB_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 130 430 +OE2_GB1_15 CG_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 130 431 +OE2_GB1_15 CD_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 130 432 +OE2_GB1_15 CE_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 130 433 OE2_GB1_15 O_GB1_50 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 436 OE2_GB1_15 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 130 438 -OE2_GB1_15 CB_GB1_51 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 130 440 +OE2_GB1_15 CB_GB1_51 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 130 440 OE2_GB1_15 CG2_GB1_51 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 130 442 OE2_GB1_15 O_GB1_51 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 444 OE2_GB1_15 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 130 446 -OE2_GB1_15 CB_GB1_52 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 130 448 +OE2_GB1_15 CB_GB1_52 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 130 448 OE2_GB1_15 O_GB1_52 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 456 OE2_GB1_15 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 130 458 -OE2_GB1_15 CB_GB1_53 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 130 460 +OE2_GB1_15 CB_GB1_53 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 130 460 OE2_GB1_15 CG2_GB1_53 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 130 462 OE2_GB1_15 O_GB1_53 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 464 OE2_GB1_15 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 130 466 -OE2_GB1_15 CB_GB1_54 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 130 468 +OE2_GB1_15 CB_GB1_54 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 130 468 OE2_GB1_15 CG1_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 130 469 OE2_GB1_15 CG2_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 130 470 OE2_GB1_15 O_GB1_54 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 472 OE2_GB1_15 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 130 474 -OE2_GB1_15 CB_GB1_55 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 130 476 +OE2_GB1_15 CB_GB1_55 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 130 476 OE2_GB1_15 CG2_GB1_55 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 130 478 OE2_GB1_15 O_GB1_55 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 480 OE2_GB1_15 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 130 482 -OE2_GB1_15 CB_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 130 484 -OE2_GB1_15 CG_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 130 485 +OE2_GB1_15 CB_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 130 484 +OE2_GB1_15 CG_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 130 485 OE2_GB1_15 OE1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 487 OE2_GB1_15 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 488 OE2_GB1_15 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 490 OE2_GB1_15 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 130 491 - C_GB1_15 CB_GB1_16 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 131 136 - C_GB1_15 CG2_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 131 138 - C_GB1_15 CB_GB1_17 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 131 144 - C_GB1_15 CG2_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 131 146 - C_GB1_15 CB_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 131 152 - C_GB1_15 CG2_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 131 154 - C_GB1_15 CB_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 131 160 - C_GB1_15 CG_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 131 161 - C_GB1_15 CB_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 131 170 - C_GB1_15 CB_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 131 176 - C_GB1_15 CG1_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 131 177 - C_GB1_15 CG2_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 131 178 - C_GB1_15 CB_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 131 184 - C_GB1_15 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 131 193 - C_GB1_15 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 131 199 - C_GB1_15 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 131 205 - C_GB1_15 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 131 207 - C_GB1_15 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 131 213 - C_GB1_15 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 131 219 - C_GB1_15 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 131 220 - C_GB1_15 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 131 229 - C_GB1_15 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 131 230 - C_GB1_15 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 131 231 - C_GB1_15 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 131 232 - C_GB1_15 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 131 239 - C_GB1_15 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 131 240 - C_GB1_15 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 131 241 - C_GB1_15 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 131 247 - C_GB1_15 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 131 259 - C_GB1_15 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 131 260 - C_GB1_15 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 131 261 - C_GB1_15 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 131 262 - C_GB1_15 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 131 269 - C_GB1_15 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 131 270 - C_GB1_15 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 131 279 - C_GB1_15 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 131 292 - C_GB1_15 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 131 298 - C_GB1_15 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 131 307 - C_GB1_15 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 131 316 - C_GB1_15 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 131 324 - C_GB1_15 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 131 330 - C_GB1_15 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 131 331 - C_GB1_15 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 131 332 - C_GB1_15 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 131 338 - C_GB1_15 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 131 346 - C_GB1_15 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 131 352 - C_GB1_15 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 131 353 - C_GB1_15 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 131 362 - C_GB1_15 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 131 377 - C_GB1_15 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 131 379 - C_GB1_15 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 131 385 - C_GB1_15 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 131 398 - C_GB1_15 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 131 407 - C_GB1_15 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 131 416 - C_GB1_15 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 131 422 - C_GB1_15 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 131 424 - C_GB1_15 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 131 430 - C_GB1_15 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 131 431 - C_GB1_15 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 131 432 - C_GB1_15 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 131 433 - C_GB1_15 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 131 440 - C_GB1_15 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 131 442 - C_GB1_15 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 131 448 - C_GB1_15 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 131 460 - C_GB1_15 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 131 462 - C_GB1_15 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 131 468 - C_GB1_15 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 131 469 - C_GB1_15 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 131 470 - C_GB1_15 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 131 476 - C_GB1_15 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 131 478 - C_GB1_15 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 131 484 - C_GB1_15 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 131 485 + C_GB1_15 CB_GB1_16 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 131 136 + C_GB1_15 CG2_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 131 138 + C_GB1_15 CB_GB1_17 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 131 144 + C_GB1_15 CG2_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 131 146 + C_GB1_15 CB_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 131 152 + C_GB1_15 CG2_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 131 154 + C_GB1_15 CB_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 131 160 + C_GB1_15 CG_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 131 161 + C_GB1_15 CB_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 131 170 + C_GB1_15 CB_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 131 176 + C_GB1_15 CG1_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 131 177 + C_GB1_15 CG2_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 131 178 + C_GB1_15 CB_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 131 184 + C_GB1_15 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 131 193 + C_GB1_15 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 131 199 + C_GB1_15 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 131 205 + C_GB1_15 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 131 207 + C_GB1_15 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 131 213 + C_GB1_15 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 131 219 + C_GB1_15 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 131 220 + C_GB1_15 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 131 229 + C_GB1_15 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 131 230 + C_GB1_15 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 131 231 + C_GB1_15 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 131 232 + C_GB1_15 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 131 239 + C_GB1_15 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 131 240 + C_GB1_15 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 131 241 + C_GB1_15 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 131 247 + C_GB1_15 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 131 259 + C_GB1_15 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 131 260 + C_GB1_15 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 131 261 + C_GB1_15 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 131 262 + C_GB1_15 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 131 269 + C_GB1_15 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 131 270 + C_GB1_15 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 131 279 + C_GB1_15 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 131 292 + C_GB1_15 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 131 298 + C_GB1_15 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 131 307 + C_GB1_15 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 131 316 + C_GB1_15 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 131 324 + C_GB1_15 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 131 330 + C_GB1_15 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 131 331 + C_GB1_15 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 131 332 + C_GB1_15 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 131 338 + C_GB1_15 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 131 346 + C_GB1_15 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 131 352 + C_GB1_15 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 131 353 + C_GB1_15 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 131 362 + C_GB1_15 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 131 377 + C_GB1_15 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 131 379 + C_GB1_15 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 131 385 + C_GB1_15 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 131 398 + C_GB1_15 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 131 407 + C_GB1_15 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 131 416 + C_GB1_15 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 131 422 + C_GB1_15 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 131 424 + C_GB1_15 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 131 430 + C_GB1_15 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 131 431 + C_GB1_15 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 131 432 + C_GB1_15 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 131 433 + C_GB1_15 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 131 440 + C_GB1_15 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 131 442 + C_GB1_15 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 131 448 + C_GB1_15 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 131 460 + C_GB1_15 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 131 462 + C_GB1_15 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 131 468 + C_GB1_15 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 131 469 + C_GB1_15 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 131 470 + C_GB1_15 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 131 476 + C_GB1_15 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 131 478 + C_GB1_15 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 131 484 + C_GB1_15 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 131 485 O_GB1_15 O_GB1_15 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 132 132 O_GB1_15 H_GB1_16 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 132 134 O_GB1_15 CB_GB1_16 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 132 136 @@ -18426,78 +18426,78 @@ OE2_GB1_15 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- O_GB1_15 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 132 488 O_GB1_15 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 132 490 O_GB1_15 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 132 491 - N_GB1_16 CB_GB1_16 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 133 136 - N_GB1_16 CG2_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 133 138 - N_GB1_16 CB_GB1_17 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 133 144 - N_GB1_16 CG2_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 133 146 - N_GB1_16 CB_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 133 152 - N_GB1_16 CG2_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 133 154 - N_GB1_16 CB_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 133 160 - N_GB1_16 CG_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 133 161 - N_GB1_16 CB_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 133 170 - N_GB1_16 CB_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 133 176 - N_GB1_16 CG1_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 133 177 - N_GB1_16 CG2_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 133 178 - N_GB1_16 CB_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 133 184 - N_GB1_16 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 133 193 - N_GB1_16 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 133 199 - N_GB1_16 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 133 205 - N_GB1_16 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 133 207 - N_GB1_16 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 133 213 - N_GB1_16 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 133 219 - N_GB1_16 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 133 220 - N_GB1_16 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 133 229 - N_GB1_16 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 133 230 - N_GB1_16 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 133 231 - N_GB1_16 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 133 232 - N_GB1_16 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 133 239 - N_GB1_16 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 133 240 - N_GB1_16 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 133 241 - N_GB1_16 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 133 247 - N_GB1_16 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 133 259 - N_GB1_16 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 133 260 - N_GB1_16 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 133 261 - N_GB1_16 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 133 262 - N_GB1_16 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 133 269 - N_GB1_16 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 133 270 - N_GB1_16 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 133 279 - N_GB1_16 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 133 292 - N_GB1_16 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 133 298 - N_GB1_16 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 133 307 - N_GB1_16 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 133 316 - N_GB1_16 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 133 324 - N_GB1_16 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 133 330 - N_GB1_16 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 133 331 - N_GB1_16 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 133 332 - N_GB1_16 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 133 338 - N_GB1_16 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 133 346 - N_GB1_16 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 133 352 - N_GB1_16 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 133 353 - N_GB1_16 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 133 362 - N_GB1_16 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 133 377 - N_GB1_16 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 133 379 - N_GB1_16 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 133 385 - N_GB1_16 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 133 398 - N_GB1_16 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 133 407 - N_GB1_16 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 133 416 - N_GB1_16 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 133 422 - N_GB1_16 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 133 424 - N_GB1_16 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 133 430 - N_GB1_16 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 133 431 - N_GB1_16 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 133 432 - N_GB1_16 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 133 433 - N_GB1_16 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 133 440 - N_GB1_16 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 133 442 - N_GB1_16 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 133 448 - N_GB1_16 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 133 460 - N_GB1_16 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 133 462 - N_GB1_16 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 133 468 - N_GB1_16 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 133 469 - N_GB1_16 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 133 470 - N_GB1_16 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 133 476 - N_GB1_16 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 133 478 - N_GB1_16 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 133 484 - N_GB1_16 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 133 485 + N_GB1_16 CB_GB1_16 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 133 136 + N_GB1_16 CG2_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 133 138 + N_GB1_16 CB_GB1_17 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 133 144 + N_GB1_16 CG2_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 133 146 + N_GB1_16 CB_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 133 152 + N_GB1_16 CG2_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 133 154 + N_GB1_16 CB_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 133 160 + N_GB1_16 CG_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 133 161 + N_GB1_16 CB_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 133 170 + N_GB1_16 CB_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 133 176 + N_GB1_16 CG1_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 133 177 + N_GB1_16 CG2_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 133 178 + N_GB1_16 CB_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 133 184 + N_GB1_16 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 133 193 + N_GB1_16 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 133 199 + N_GB1_16 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 133 205 + N_GB1_16 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 133 207 + N_GB1_16 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 133 213 + N_GB1_16 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 133 219 + N_GB1_16 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 133 220 + N_GB1_16 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 133 229 + N_GB1_16 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 133 230 + N_GB1_16 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 133 231 + N_GB1_16 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 133 232 + N_GB1_16 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 133 239 + N_GB1_16 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 133 240 + N_GB1_16 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 133 241 + N_GB1_16 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 133 247 + N_GB1_16 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 133 259 + N_GB1_16 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 133 260 + N_GB1_16 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 133 261 + N_GB1_16 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 133 262 + N_GB1_16 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 133 269 + N_GB1_16 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 133 270 + N_GB1_16 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 133 279 + N_GB1_16 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 133 292 + N_GB1_16 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 133 298 + N_GB1_16 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 133 307 + N_GB1_16 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 133 316 + N_GB1_16 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 133 324 + N_GB1_16 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 133 330 + N_GB1_16 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 133 331 + N_GB1_16 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 133 332 + N_GB1_16 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 133 338 + N_GB1_16 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 133 346 + N_GB1_16 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 133 352 + N_GB1_16 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 133 353 + N_GB1_16 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 133 362 + N_GB1_16 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 133 377 + N_GB1_16 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 133 379 + N_GB1_16 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 133 385 + N_GB1_16 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 133 398 + N_GB1_16 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 133 407 + N_GB1_16 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 133 416 + N_GB1_16 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 133 422 + N_GB1_16 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 133 424 + N_GB1_16 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 133 430 + N_GB1_16 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 133 431 + N_GB1_16 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 133 432 + N_GB1_16 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 133 433 + N_GB1_16 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 133 440 + N_GB1_16 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 133 442 + N_GB1_16 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 133 448 + N_GB1_16 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 133 460 + N_GB1_16 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 133 462 + N_GB1_16 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 133 468 + N_GB1_16 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 133 469 + N_GB1_16 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 133 470 + N_GB1_16 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 133 476 + N_GB1_16 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 133 478 + N_GB1_16 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 133 484 + N_GB1_16 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 133 485 H_GB1_16 H_GB1_16 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 134 134 H_GB1_16 OG1_GB1_16 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 134 137 H_GB1_16 O_GB1_16 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 134 140 @@ -18613,534 +18613,534 @@ OE2_GB1_15 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- H_GB1_16 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 134 488 H_GB1_16 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 134 490 H_GB1_16 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 134 491 - CB_GB1_16 OG1_GB1_16 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 136 137 - CB_GB1_16 C_GB1_16 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 139 + CB_GB1_16 OG1_GB1_16 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 136 137 + CB_GB1_16 C_GB1_16 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 139 CB_GB1_16 O_GB1_16 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 136 140 - CB_GB1_16 N_GB1_17 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 136 141 - CB_GB1_16 OG1_GB1_17 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 136 145 - CB_GB1_16 C_GB1_17 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 147 + CB_GB1_16 N_GB1_17 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 136 141 + CB_GB1_16 OG1_GB1_17 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 136 145 + CB_GB1_16 C_GB1_17 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 147 CB_GB1_16 O_GB1_17 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 136 148 - CB_GB1_16 N_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 136 149 - CB_GB1_16 OG1_GB1_18 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 136 153 - CB_GB1_16 C_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 155 + CB_GB1_16 N_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 136 149 + CB_GB1_16 OG1_GB1_18 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 136 153 + CB_GB1_16 C_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 155 CB_GB1_16 O_GB1_18 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 136 156 - CB_GB1_16 N_GB1_19 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 136 157 - CB_GB1_16 CD_GB1_19 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 162 - CB_GB1_16 OE1_GB1_19 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 136 163 - CB_GB1_16 OE2_GB1_19 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 136 164 - CB_GB1_16 C_GB1_19 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 165 + CB_GB1_16 N_GB1_19 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 136 157 + CB_GB1_16 CD_GB1_19 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 162 + CB_GB1_16 OE1_GB1_19 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 136 163 + CB_GB1_16 OE2_GB1_19 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 136 164 + CB_GB1_16 C_GB1_19 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 165 CB_GB1_16 O_GB1_19 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 136 166 - CB_GB1_16 N_GB1_20 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 136 167 - CB_GB1_16 C_GB1_20 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 171 + CB_GB1_16 N_GB1_20 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 136 167 + CB_GB1_16 C_GB1_20 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 171 CB_GB1_16 O_GB1_20 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 136 172 - CB_GB1_16 N_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 136 173 - CB_GB1_16 C_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 179 + CB_GB1_16 N_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 136 173 + CB_GB1_16 C_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 179 CB_GB1_16 O_GB1_21 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 136 180 - CB_GB1_16 N_GB1_22 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 136 181 - CB_GB1_16 CG_GB1_22 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 185 - CB_GB1_16 OD1_GB1_22 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 136 186 - CB_GB1_16 OD2_GB1_22 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 136 187 - CB_GB1_16 C_GB1_22 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 188 + CB_GB1_16 N_GB1_22 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 136 181 + CB_GB1_16 CG_GB1_22 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 185 + CB_GB1_16 OD1_GB1_22 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 136 186 + CB_GB1_16 OD2_GB1_22 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 136 187 + CB_GB1_16 C_GB1_22 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 188 CB_GB1_16 O_GB1_22 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 136 189 - CB_GB1_16 N_GB1_23 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 136 190 - CB_GB1_16 C_GB1_23 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 194 + CB_GB1_16 N_GB1_23 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 136 190 + CB_GB1_16 C_GB1_23 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 194 CB_GB1_16 O_GB1_23 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 136 195 - CB_GB1_16 N_GB1_24 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 136 196 - CB_GB1_16 C_GB1_24 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 200 + CB_GB1_16 N_GB1_24 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 136 196 + CB_GB1_16 C_GB1_24 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 200 CB_GB1_16 O_GB1_24 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 136 201 - CB_GB1_16 N_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 136 202 - CB_GB1_16 OG1_GB1_25 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 136 206 - CB_GB1_16 C_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 208 + CB_GB1_16 N_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 136 202 + CB_GB1_16 OG1_GB1_25 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 136 206 + CB_GB1_16 C_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 208 CB_GB1_16 O_GB1_25 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 136 209 - CB_GB1_16 N_GB1_26 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 136 210 - CB_GB1_16 C_GB1_26 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 214 + CB_GB1_16 N_GB1_26 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 136 210 + CB_GB1_16 C_GB1_26 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 214 CB_GB1_16 O_GB1_26 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 136 215 - CB_GB1_16 N_GB1_27 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 136 216 - CB_GB1_16 CD_GB1_27 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 221 - CB_GB1_16 OE1_GB1_27 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 136 222 - CB_GB1_16 OE2_GB1_27 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 136 223 - CB_GB1_16 C_GB1_27 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 224 + CB_GB1_16 N_GB1_27 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 136 216 + CB_GB1_16 CD_GB1_27 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 221 + CB_GB1_16 OE1_GB1_27 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 136 222 + CB_GB1_16 OE2_GB1_27 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 136 223 + CB_GB1_16 C_GB1_27 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 224 CB_GB1_16 O_GB1_27 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 136 225 - CB_GB1_16 N_GB1_28 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 136 226 - CB_GB1_16 NZ_GB1_28 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 136 233 - CB_GB1_16 C_GB1_28 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 234 + CB_GB1_16 N_GB1_28 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 136 226 + CB_GB1_16 NZ_GB1_28 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 136 233 + CB_GB1_16 C_GB1_28 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 234 CB_GB1_16 O_GB1_28 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 136 235 - CB_GB1_16 N_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 136 236 - CB_GB1_16 C_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 242 + CB_GB1_16 N_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 136 236 + CB_GB1_16 C_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 242 CB_GB1_16 O_GB1_29 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 136 243 - CB_GB1_16 N_GB1_30 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 136 244 - CB_GB1_16 C_GB1_30 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 254 + CB_GB1_16 N_GB1_30 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 136 244 + CB_GB1_16 C_GB1_30 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 254 CB_GB1_16 O_GB1_30 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 136 255 - CB_GB1_16 N_GB1_31 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 136 256 - CB_GB1_16 NZ_GB1_31 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 136 263 - CB_GB1_16 C_GB1_31 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 264 + CB_GB1_16 N_GB1_31 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 136 256 + CB_GB1_16 NZ_GB1_31 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 136 263 + CB_GB1_16 C_GB1_31 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 264 CB_GB1_16 O_GB1_31 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 136 265 - CB_GB1_16 N_GB1_32 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 136 266 - CB_GB1_16 CD_GB1_32 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 271 + CB_GB1_16 N_GB1_32 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 136 266 + CB_GB1_16 CD_GB1_32 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 271 CB_GB1_16 OE1_GB1_32 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 136 272 - CB_GB1_16 NE2_GB1_32 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 136 273 - CB_GB1_16 C_GB1_32 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 274 + CB_GB1_16 NE2_GB1_32 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 136 273 + CB_GB1_16 C_GB1_32 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 274 CB_GB1_16 O_GB1_32 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 136 275 - CB_GB1_16 N_GB1_33 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 136 276 - CB_GB1_16 OH_GB1_33 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 136 286 - CB_GB1_16 C_GB1_33 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 287 + CB_GB1_16 N_GB1_33 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 136 276 + CB_GB1_16 OH_GB1_33 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 136 286 + CB_GB1_16 C_GB1_33 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 287 CB_GB1_16 O_GB1_33 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 136 288 - CB_GB1_16 N_GB1_34 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 136 289 - CB_GB1_16 C_GB1_34 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 293 + CB_GB1_16 N_GB1_34 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 136 289 + CB_GB1_16 C_GB1_34 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 293 CB_GB1_16 O_GB1_34 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 136 294 - CB_GB1_16 N_GB1_35 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 136 295 - CB_GB1_16 CG_GB1_35 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 299 + CB_GB1_16 N_GB1_35 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 136 295 + CB_GB1_16 CG_GB1_35 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 299 CB_GB1_16 OD1_GB1_35 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 136 300 - CB_GB1_16 ND2_GB1_35 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 136 301 - CB_GB1_16 C_GB1_35 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 302 + CB_GB1_16 ND2_GB1_35 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 136 301 + CB_GB1_16 C_GB1_35 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 302 CB_GB1_16 O_GB1_35 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 136 303 - CB_GB1_16 N_GB1_36 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 136 304 - CB_GB1_16 CG_GB1_36 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 308 - CB_GB1_16 OD1_GB1_36 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 136 309 - CB_GB1_16 OD2_GB1_36 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 136 310 - CB_GB1_16 C_GB1_36 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 311 + CB_GB1_16 N_GB1_36 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 136 304 + CB_GB1_16 CG_GB1_36 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 308 + CB_GB1_16 OD1_GB1_36 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 136 309 + CB_GB1_16 OD2_GB1_36 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 136 310 + CB_GB1_16 C_GB1_36 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 311 CB_GB1_16 O_GB1_36 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 136 312 - CB_GB1_16 N_GB1_37 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 136 313 - CB_GB1_16 CG_GB1_37 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 317 + CB_GB1_16 N_GB1_37 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 136 313 + CB_GB1_16 CG_GB1_37 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 317 CB_GB1_16 OD1_GB1_37 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 136 318 - CB_GB1_16 ND2_GB1_37 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 136 319 - CB_GB1_16 C_GB1_37 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 320 + CB_GB1_16 ND2_GB1_37 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 136 319 + CB_GB1_16 C_GB1_37 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 320 CB_GB1_16 O_GB1_37 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 136 321 - CB_GB1_16 N_GB1_38 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 136 322 - CB_GB1_16 C_GB1_38 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 325 + CB_GB1_16 N_GB1_38 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 136 322 + CB_GB1_16 C_GB1_38 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 325 CB_GB1_16 O_GB1_38 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 136 326 - CB_GB1_16 N_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 136 327 - CB_GB1_16 C_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 333 + CB_GB1_16 N_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 136 327 + CB_GB1_16 C_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 333 CB_GB1_16 O_GB1_39 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 136 334 - CB_GB1_16 N_GB1_40 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 136 335 - CB_GB1_16 CG_GB1_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 339 - CB_GB1_16 OD1_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 136 340 - CB_GB1_16 OD2_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 136 341 - CB_GB1_16 C_GB1_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 342 + CB_GB1_16 N_GB1_40 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 136 335 + CB_GB1_16 CG_GB1_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 339 + CB_GB1_16 OD1_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 136 340 + CB_GB1_16 OD2_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 136 341 + CB_GB1_16 C_GB1_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 342 CB_GB1_16 O_GB1_40 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 136 343 - CB_GB1_16 N_GB1_41 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 136 344 - CB_GB1_16 C_GB1_41 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 347 + CB_GB1_16 N_GB1_41 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 136 344 + CB_GB1_16 C_GB1_41 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 347 CB_GB1_16 O_GB1_41 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 136 348 - CB_GB1_16 N_GB1_42 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 136 349 - CB_GB1_16 CD_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 354 - CB_GB1_16 OE1_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 136 355 - CB_GB1_16 OE2_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 136 356 - CB_GB1_16 C_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 357 + CB_GB1_16 N_GB1_42 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 136 349 + CB_GB1_16 CD_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 354 + CB_GB1_16 OE1_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 136 355 + CB_GB1_16 OE2_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 136 356 + CB_GB1_16 C_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 357 CB_GB1_16 O_GB1_42 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 136 358 - CB_GB1_16 N_GB1_43 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 136 359 - CB_GB1_16 NE1_GB1_43 1 0.000000e+00 9.937288e-06 ; 8.853117e-06 -9.937288e-06 1.0 1.0 1.0 1.0 False mg 7 136 366 - CB_GB1_16 C_GB1_43 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 372 + CB_GB1_16 N_GB1_43 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 136 359 + CB_GB1_16 NE1_GB1_43 1 0.000000e+00 9.937231e-06 ; 8.853066e-06 -9.937231e-06 1.0 1.0 1.0 1.0 False mg 7 136 366 + CB_GB1_16 C_GB1_43 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 372 CB_GB1_16 O_GB1_43 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 136 373 - CB_GB1_16 N_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 136 374 - CB_GB1_16 OG1_GB1_44 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 136 378 - CB_GB1_16 C_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 380 + CB_GB1_16 N_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 136 374 + CB_GB1_16 OG1_GB1_44 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 136 378 + CB_GB1_16 C_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 380 CB_GB1_16 O_GB1_44 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 136 381 - CB_GB1_16 N_GB1_45 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 136 382 - CB_GB1_16 OH_GB1_45 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 136 392 - CB_GB1_16 C_GB1_45 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 393 + CB_GB1_16 N_GB1_45 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 136 382 + CB_GB1_16 OH_GB1_45 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 136 392 + CB_GB1_16 C_GB1_45 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 393 CB_GB1_16 O_GB1_45 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 136 394 - CB_GB1_16 N_GB1_46 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 136 395 - CB_GB1_16 CG_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 399 - CB_GB1_16 OD1_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 136 400 - CB_GB1_16 OD2_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 136 401 - CB_GB1_16 C_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 402 + CB_GB1_16 N_GB1_46 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 136 395 + CB_GB1_16 CG_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 399 + CB_GB1_16 OD1_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 136 400 + CB_GB1_16 OD2_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 136 401 + CB_GB1_16 C_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 402 CB_GB1_16 O_GB1_46 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 136 403 - CB_GB1_16 N_GB1_47 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 136 404 - CB_GB1_16 CG_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 408 - CB_GB1_16 OD1_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 136 409 - CB_GB1_16 OD2_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 136 410 - CB_GB1_16 C_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 411 + CB_GB1_16 N_GB1_47 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 136 404 + CB_GB1_16 CG_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 408 + CB_GB1_16 OD1_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 136 409 + CB_GB1_16 OD2_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 136 410 + CB_GB1_16 C_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 411 CB_GB1_16 O_GB1_47 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 136 412 - CB_GB1_16 N_GB1_48 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 136 413 - CB_GB1_16 C_GB1_48 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 417 + CB_GB1_16 N_GB1_48 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 136 413 + CB_GB1_16 C_GB1_48 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 417 CB_GB1_16 O_GB1_48 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 136 418 - CB_GB1_16 N_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 136 419 - CB_GB1_16 OG1_GB1_49 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 136 423 - CB_GB1_16 C_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 425 + CB_GB1_16 N_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 136 419 + CB_GB1_16 OG1_GB1_49 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 136 423 + CB_GB1_16 C_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 425 CB_GB1_16 O_GB1_49 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 136 426 - CB_GB1_16 N_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 136 427 - CB_GB1_16 NZ_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 136 434 - CB_GB1_16 C_GB1_50 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 435 + CB_GB1_16 N_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 136 427 + CB_GB1_16 NZ_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 136 434 + CB_GB1_16 C_GB1_50 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 435 CB_GB1_16 O_GB1_50 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 136 436 - CB_GB1_16 N_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 136 437 - CB_GB1_16 OG1_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 136 441 - CB_GB1_16 C_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 443 + CB_GB1_16 N_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 136 437 + CB_GB1_16 OG1_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 136 441 + CB_GB1_16 C_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 443 CB_GB1_16 O_GB1_51 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 136 444 - CB_GB1_16 N_GB1_52 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 136 445 - CB_GB1_16 C_GB1_52 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 455 + CB_GB1_16 N_GB1_52 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 136 445 + CB_GB1_16 C_GB1_52 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 455 CB_GB1_16 O_GB1_52 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 136 456 - CB_GB1_16 N_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 136 457 - CB_GB1_16 OG1_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 136 461 - CB_GB1_16 C_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 463 + CB_GB1_16 N_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 136 457 + CB_GB1_16 OG1_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 136 461 + CB_GB1_16 C_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 463 CB_GB1_16 O_GB1_53 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 136 464 - CB_GB1_16 N_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 136 465 - CB_GB1_16 C_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 471 + CB_GB1_16 N_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 136 465 + CB_GB1_16 C_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 471 CB_GB1_16 O_GB1_54 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 136 472 - CB_GB1_16 N_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 136 473 - CB_GB1_16 OG1_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 136 477 - CB_GB1_16 C_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 479 + CB_GB1_16 N_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 136 473 + CB_GB1_16 OG1_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 136 477 + CB_GB1_16 C_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 479 CB_GB1_16 O_GB1_55 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 136 480 - CB_GB1_16 N_GB1_56 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 136 481 - CB_GB1_16 CD_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 486 - CB_GB1_16 OE1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 136 487 - CB_GB1_16 OE2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 136 488 - CB_GB1_16 C_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 136 489 - CB_GB1_16 O1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 136 490 - CB_GB1_16 O2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 136 491 -OG1_GB1_16 CG2_GB1_16 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 137 138 + CB_GB1_16 N_GB1_56 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 136 481 + CB_GB1_16 CD_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 486 + CB_GB1_16 OE1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 136 487 + CB_GB1_16 OE2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 136 488 + CB_GB1_16 C_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 136 489 + CB_GB1_16 O1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 136 490 + CB_GB1_16 O2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 136 491 +OG1_GB1_16 CG2_GB1_16 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 137 138 OG1_GB1_16 H_GB1_17 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 137 142 -OG1_GB1_16 CB_GB1_17 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 137 144 -OG1_GB1_16 CG2_GB1_17 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 137 146 +OG1_GB1_16 CB_GB1_17 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 137 144 +OG1_GB1_16 CG2_GB1_17 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 137 146 OG1_GB1_16 H_GB1_18 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 137 150 -OG1_GB1_16 CB_GB1_18 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 137 152 -OG1_GB1_16 CG2_GB1_18 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 137 154 +OG1_GB1_16 CB_GB1_18 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 137 152 +OG1_GB1_16 CG2_GB1_18 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 137 154 OG1_GB1_16 H_GB1_19 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 137 158 -OG1_GB1_16 CB_GB1_19 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 137 160 -OG1_GB1_16 CG_GB1_19 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 137 161 +OG1_GB1_16 CB_GB1_19 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 137 160 +OG1_GB1_16 CG_GB1_19 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 137 161 OG1_GB1_16 H_GB1_20 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 137 168 -OG1_GB1_16 CB_GB1_20 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 137 170 +OG1_GB1_16 CB_GB1_20 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 137 170 OG1_GB1_16 H_GB1_21 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 137 174 -OG1_GB1_16 CB_GB1_21 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 137 176 -OG1_GB1_16 CG1_GB1_21 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 137 177 -OG1_GB1_16 CG2_GB1_21 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 137 178 +OG1_GB1_16 CB_GB1_21 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 137 176 +OG1_GB1_16 CG1_GB1_21 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 137 177 +OG1_GB1_16 CG2_GB1_21 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 137 178 OG1_GB1_16 H_GB1_22 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 137 182 -OG1_GB1_16 CB_GB1_22 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 137 184 +OG1_GB1_16 CB_GB1_22 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 137 184 OG1_GB1_16 H_GB1_23 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 137 191 -OG1_GB1_16 CB_GB1_23 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 137 193 +OG1_GB1_16 CB_GB1_23 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 137 193 OG1_GB1_16 H_GB1_24 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 137 197 -OG1_GB1_16 CB_GB1_24 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 137 199 +OG1_GB1_16 CB_GB1_24 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 137 199 OG1_GB1_16 H_GB1_25 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 137 203 -OG1_GB1_16 CB_GB1_25 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 137 205 -OG1_GB1_16 CG2_GB1_25 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 137 207 +OG1_GB1_16 CB_GB1_25 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 137 205 +OG1_GB1_16 CG2_GB1_25 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 137 207 OG1_GB1_16 H_GB1_26 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 137 211 -OG1_GB1_16 CB_GB1_26 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 137 213 +OG1_GB1_16 CB_GB1_26 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 137 213 OG1_GB1_16 H_GB1_27 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 137 217 -OG1_GB1_16 CB_GB1_27 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 137 219 -OG1_GB1_16 CG_GB1_27 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 137 220 +OG1_GB1_16 CB_GB1_27 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 137 219 +OG1_GB1_16 CG_GB1_27 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 137 220 OG1_GB1_16 H_GB1_28 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 137 227 -OG1_GB1_16 CB_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 137 229 -OG1_GB1_16 CG_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 137 230 -OG1_GB1_16 CD_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 137 231 -OG1_GB1_16 CE_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 137 232 +OG1_GB1_16 CB_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 137 229 +OG1_GB1_16 CG_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 137 230 +OG1_GB1_16 CD_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 137 231 +OG1_GB1_16 CE_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 137 232 OG1_GB1_16 H_GB1_29 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 137 237 -OG1_GB1_16 CB_GB1_29 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 137 239 -OG1_GB1_16 CG1_GB1_29 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 137 240 -OG1_GB1_16 CG2_GB1_29 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 137 241 +OG1_GB1_16 CB_GB1_29 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 137 239 +OG1_GB1_16 CG1_GB1_29 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 137 240 +OG1_GB1_16 CG2_GB1_29 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 137 241 OG1_GB1_16 H_GB1_30 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 137 245 -OG1_GB1_16 CB_GB1_30 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 137 247 +OG1_GB1_16 CB_GB1_30 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 137 247 OG1_GB1_16 H_GB1_31 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 137 257 -OG1_GB1_16 CB_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 137 259 -OG1_GB1_16 CG_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 137 260 -OG1_GB1_16 CD_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 137 261 -OG1_GB1_16 CE_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 137 262 +OG1_GB1_16 CB_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 137 259 +OG1_GB1_16 CG_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 137 260 +OG1_GB1_16 CD_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 137 261 +OG1_GB1_16 CE_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 137 262 OG1_GB1_16 H_GB1_32 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 137 267 -OG1_GB1_16 CB_GB1_32 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 137 269 -OG1_GB1_16 CG_GB1_32 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 137 270 +OG1_GB1_16 CB_GB1_32 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 137 269 +OG1_GB1_16 CG_GB1_32 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 137 270 OG1_GB1_16 H_GB1_33 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 137 277 -OG1_GB1_16 CB_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 137 279 +OG1_GB1_16 CB_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 137 279 OG1_GB1_16 H_GB1_34 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 137 290 -OG1_GB1_16 CB_GB1_34 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 137 292 +OG1_GB1_16 CB_GB1_34 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 137 292 OG1_GB1_16 H_GB1_35 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 137 296 -OG1_GB1_16 CB_GB1_35 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 137 298 +OG1_GB1_16 CB_GB1_35 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 137 298 OG1_GB1_16 H_GB1_36 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 137 305 -OG1_GB1_16 CB_GB1_36 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 137 307 +OG1_GB1_16 CB_GB1_36 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 137 307 OG1_GB1_16 H_GB1_37 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 137 314 -OG1_GB1_16 CB_GB1_37 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 137 316 +OG1_GB1_16 CB_GB1_37 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 137 316 OG1_GB1_16 H_GB1_38 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 137 323 -OG1_GB1_16 CA_GB1_38 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 137 324 +OG1_GB1_16 CA_GB1_38 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 137 324 OG1_GB1_16 H_GB1_39 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 137 328 -OG1_GB1_16 CB_GB1_39 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 137 330 -OG1_GB1_16 CG1_GB1_39 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 137 331 -OG1_GB1_16 CG2_GB1_39 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 137 332 +OG1_GB1_16 CB_GB1_39 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 137 330 +OG1_GB1_16 CG1_GB1_39 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 137 331 +OG1_GB1_16 CG2_GB1_39 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 137 332 OG1_GB1_16 H_GB1_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 137 336 -OG1_GB1_16 CB_GB1_40 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 137 338 +OG1_GB1_16 CB_GB1_40 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 137 338 OG1_GB1_16 H_GB1_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 137 345 -OG1_GB1_16 CA_GB1_41 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 137 346 +OG1_GB1_16 CA_GB1_41 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 137 346 OG1_GB1_16 H_GB1_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 137 350 -OG1_GB1_16 CB_GB1_42 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 137 352 -OG1_GB1_16 CG_GB1_42 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 137 353 +OG1_GB1_16 CB_GB1_42 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 137 352 +OG1_GB1_16 CG_GB1_42 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 137 353 OG1_GB1_16 H_GB1_43 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 137 360 -OG1_GB1_16 CB_GB1_43 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 137 362 +OG1_GB1_16 CB_GB1_43 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 137 362 OG1_GB1_16 H_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 137 375 -OG1_GB1_16 CB_GB1_44 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 137 377 -OG1_GB1_16 CG2_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 137 379 +OG1_GB1_16 CB_GB1_44 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 137 377 +OG1_GB1_16 CG2_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 137 379 OG1_GB1_16 H_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 137 383 -OG1_GB1_16 CB_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 137 385 +OG1_GB1_16 CB_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 137 385 OG1_GB1_16 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 137 396 -OG1_GB1_16 CB_GB1_46 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 137 398 +OG1_GB1_16 CB_GB1_46 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 137 398 OG1_GB1_16 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 137 405 -OG1_GB1_16 CB_GB1_47 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 137 407 +OG1_GB1_16 CB_GB1_47 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 137 407 OG1_GB1_16 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 137 414 -OG1_GB1_16 CB_GB1_48 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 137 416 +OG1_GB1_16 CB_GB1_48 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 137 416 OG1_GB1_16 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 137 420 -OG1_GB1_16 CB_GB1_49 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 137 422 -OG1_GB1_16 CG2_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 137 424 +OG1_GB1_16 CB_GB1_49 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 137 422 +OG1_GB1_16 CG2_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 137 424 OG1_GB1_16 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 137 428 -OG1_GB1_16 CB_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 137 430 -OG1_GB1_16 CG_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 137 431 -OG1_GB1_16 CD_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 137 432 -OG1_GB1_16 CE_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 137 433 +OG1_GB1_16 CB_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 137 430 +OG1_GB1_16 CG_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 137 431 +OG1_GB1_16 CD_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 137 432 +OG1_GB1_16 CE_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 137 433 OG1_GB1_16 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 137 438 -OG1_GB1_16 CB_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 137 440 -OG1_GB1_16 CG2_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 137 442 +OG1_GB1_16 CB_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 137 440 +OG1_GB1_16 CG2_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 137 442 OG1_GB1_16 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 137 446 -OG1_GB1_16 CB_GB1_52 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 137 448 +OG1_GB1_16 CB_GB1_52 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 137 448 OG1_GB1_16 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 137 458 -OG1_GB1_16 CB_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 137 460 -OG1_GB1_16 CG2_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 137 462 +OG1_GB1_16 CB_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 137 460 +OG1_GB1_16 CG2_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 137 462 OG1_GB1_16 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 137 466 -OG1_GB1_16 CB_GB1_54 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 137 468 -OG1_GB1_16 CG1_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 137 469 -OG1_GB1_16 CG2_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 137 470 +OG1_GB1_16 CB_GB1_54 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 137 468 +OG1_GB1_16 CG1_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 137 469 +OG1_GB1_16 CG2_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 137 470 OG1_GB1_16 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 137 474 -OG1_GB1_16 CB_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 137 476 -OG1_GB1_16 CG2_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 137 478 +OG1_GB1_16 CB_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 137 476 +OG1_GB1_16 CG2_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 137 478 OG1_GB1_16 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 137 482 -OG1_GB1_16 CB_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 137 484 -OG1_GB1_16 CG_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 137 485 -CG2_GB1_16 C_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 139 +OG1_GB1_16 CB_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 137 484 +OG1_GB1_16 CG_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 137 485 +CG2_GB1_16 C_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 139 CG2_GB1_16 O_GB1_16 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 138 140 -CG2_GB1_16 N_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 138 141 -CG2_GB1_16 OG1_GB1_17 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 138 145 -CG2_GB1_16 C_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 147 +CG2_GB1_16 N_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 138 141 +CG2_GB1_16 OG1_GB1_17 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 138 145 +CG2_GB1_16 C_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 147 CG2_GB1_16 O_GB1_17 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 138 148 -CG2_GB1_16 N_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 138 149 -CG2_GB1_16 OG1_GB1_18 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 138 153 -CG2_GB1_16 C_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 155 +CG2_GB1_16 N_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 138 149 +CG2_GB1_16 OG1_GB1_18 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 138 153 +CG2_GB1_16 C_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 155 CG2_GB1_16 O_GB1_18 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 138 156 -CG2_GB1_16 N_GB1_19 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 138 157 -CG2_GB1_16 CD_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 162 +CG2_GB1_16 N_GB1_19 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 138 157 +CG2_GB1_16 CD_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 162 CG2_GB1_16 OE1_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 138 163 CG2_GB1_16 OE2_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 138 164 -CG2_GB1_16 C_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 165 +CG2_GB1_16 C_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 165 CG2_GB1_16 O_GB1_19 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 138 166 -CG2_GB1_16 N_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 138 167 -CG2_GB1_16 C_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 171 +CG2_GB1_16 N_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 138 167 +CG2_GB1_16 C_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 171 CG2_GB1_16 O_GB1_20 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 138 172 -CG2_GB1_16 N_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 138 173 -CG2_GB1_16 C_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 179 +CG2_GB1_16 N_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 138 173 +CG2_GB1_16 C_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 179 CG2_GB1_16 O_GB1_21 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 138 180 -CG2_GB1_16 N_GB1_22 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 138 181 -CG2_GB1_16 CG_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 185 +CG2_GB1_16 N_GB1_22 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 138 181 +CG2_GB1_16 CG_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 185 CG2_GB1_16 OD1_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 138 186 CG2_GB1_16 OD2_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 138 187 -CG2_GB1_16 C_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 188 +CG2_GB1_16 C_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 188 CG2_GB1_16 O_GB1_22 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 138 189 -CG2_GB1_16 N_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 138 190 -CG2_GB1_16 C_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 194 +CG2_GB1_16 N_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 138 190 +CG2_GB1_16 C_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 194 CG2_GB1_16 O_GB1_23 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 138 195 -CG2_GB1_16 N_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 138 196 -CG2_GB1_16 C_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 200 +CG2_GB1_16 N_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 138 196 +CG2_GB1_16 C_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 200 CG2_GB1_16 O_GB1_24 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 138 201 -CG2_GB1_16 N_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 138 202 -CG2_GB1_16 OG1_GB1_25 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 138 206 -CG2_GB1_16 C_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 208 +CG2_GB1_16 N_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 138 202 +CG2_GB1_16 OG1_GB1_25 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 138 206 +CG2_GB1_16 C_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 208 CG2_GB1_16 O_GB1_25 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 138 209 -CG2_GB1_16 N_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 138 210 -CG2_GB1_16 C_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 214 +CG2_GB1_16 N_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 138 210 +CG2_GB1_16 C_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 214 CG2_GB1_16 O_GB1_26 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 138 215 -CG2_GB1_16 N_GB1_27 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 138 216 -CG2_GB1_16 CD_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 221 +CG2_GB1_16 N_GB1_27 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 138 216 +CG2_GB1_16 CD_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 221 CG2_GB1_16 OE1_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 138 222 CG2_GB1_16 OE2_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 138 223 -CG2_GB1_16 C_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 224 +CG2_GB1_16 C_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 224 CG2_GB1_16 O_GB1_27 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 138 225 -CG2_GB1_16 N_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 138 226 -CG2_GB1_16 NZ_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 138 233 -CG2_GB1_16 C_GB1_28 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 234 +CG2_GB1_16 N_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 138 226 +CG2_GB1_16 NZ_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 138 233 +CG2_GB1_16 C_GB1_28 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 234 CG2_GB1_16 O_GB1_28 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 138 235 -CG2_GB1_16 N_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 138 236 -CG2_GB1_16 C_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 242 +CG2_GB1_16 N_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 138 236 +CG2_GB1_16 C_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 242 CG2_GB1_16 O_GB1_29 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 138 243 -CG2_GB1_16 N_GB1_30 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 138 244 -CG2_GB1_16 C_GB1_30 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 254 +CG2_GB1_16 N_GB1_30 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 138 244 +CG2_GB1_16 C_GB1_30 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 254 CG2_GB1_16 O_GB1_30 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 138 255 -CG2_GB1_16 N_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 138 256 -CG2_GB1_16 NZ_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 138 263 -CG2_GB1_16 C_GB1_31 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 264 +CG2_GB1_16 N_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 138 256 +CG2_GB1_16 NZ_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 138 263 +CG2_GB1_16 C_GB1_31 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 264 CG2_GB1_16 O_GB1_31 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 138 265 -CG2_GB1_16 N_GB1_32 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 138 266 -CG2_GB1_16 CD_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 271 +CG2_GB1_16 N_GB1_32 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 138 266 +CG2_GB1_16 CD_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 271 CG2_GB1_16 OE1_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 138 272 -CG2_GB1_16 NE2_GB1_32 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 138 273 -CG2_GB1_16 C_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 274 +CG2_GB1_16 NE2_GB1_32 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 138 273 +CG2_GB1_16 C_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 274 CG2_GB1_16 O_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 138 275 -CG2_GB1_16 N_GB1_33 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 138 276 -CG2_GB1_16 OH_GB1_33 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 138 286 -CG2_GB1_16 C_GB1_33 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 287 +CG2_GB1_16 N_GB1_33 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 138 276 +CG2_GB1_16 OH_GB1_33 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 138 286 +CG2_GB1_16 C_GB1_33 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 287 CG2_GB1_16 O_GB1_33 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 138 288 -CG2_GB1_16 N_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 138 289 -CG2_GB1_16 C_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 293 +CG2_GB1_16 N_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 138 289 +CG2_GB1_16 C_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 293 CG2_GB1_16 O_GB1_34 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 138 294 -CG2_GB1_16 N_GB1_35 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 138 295 -CG2_GB1_16 CG_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 299 +CG2_GB1_16 N_GB1_35 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 138 295 +CG2_GB1_16 CG_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 299 CG2_GB1_16 OD1_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 138 300 -CG2_GB1_16 ND2_GB1_35 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 138 301 -CG2_GB1_16 C_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 302 +CG2_GB1_16 ND2_GB1_35 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 138 301 +CG2_GB1_16 C_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 302 CG2_GB1_16 O_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 138 303 -CG2_GB1_16 N_GB1_36 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 138 304 -CG2_GB1_16 CG_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 308 +CG2_GB1_16 N_GB1_36 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 138 304 +CG2_GB1_16 CG_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 308 CG2_GB1_16 OD1_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 138 309 CG2_GB1_16 OD2_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 138 310 -CG2_GB1_16 C_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 311 +CG2_GB1_16 C_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 311 CG2_GB1_16 O_GB1_36 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 138 312 -CG2_GB1_16 N_GB1_37 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 138 313 -CG2_GB1_16 CG_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 317 +CG2_GB1_16 N_GB1_37 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 138 313 +CG2_GB1_16 CG_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 317 CG2_GB1_16 OD1_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 138 318 -CG2_GB1_16 ND2_GB1_37 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 138 319 -CG2_GB1_16 C_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 320 +CG2_GB1_16 ND2_GB1_37 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 138 319 +CG2_GB1_16 C_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 320 CG2_GB1_16 O_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 138 321 -CG2_GB1_16 N_GB1_38 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 138 322 -CG2_GB1_16 C_GB1_38 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 325 +CG2_GB1_16 N_GB1_38 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 138 322 +CG2_GB1_16 C_GB1_38 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 325 CG2_GB1_16 O_GB1_38 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 138 326 -CG2_GB1_16 N_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 138 327 -CG2_GB1_16 C_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 333 +CG2_GB1_16 N_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 138 327 +CG2_GB1_16 C_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 333 CG2_GB1_16 O_GB1_39 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 138 334 -CG2_GB1_16 N_GB1_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 138 335 -CG2_GB1_16 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 339 +CG2_GB1_16 N_GB1_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 138 335 +CG2_GB1_16 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 339 CG2_GB1_16 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 138 340 CG2_GB1_16 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 138 341 -CG2_GB1_16 C_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 342 +CG2_GB1_16 C_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 342 CG2_GB1_16 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 138 343 -CG2_GB1_16 N_GB1_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 138 344 -CG2_GB1_16 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 347 +CG2_GB1_16 N_GB1_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 138 344 +CG2_GB1_16 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 347 CG2_GB1_16 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 138 348 -CG2_GB1_16 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 138 349 -CG2_GB1_16 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 354 +CG2_GB1_16 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 138 349 +CG2_GB1_16 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 354 CG2_GB1_16 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 138 355 CG2_GB1_16 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 138 356 -CG2_GB1_16 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 357 +CG2_GB1_16 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 357 CG2_GB1_16 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 138 358 -CG2_GB1_16 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 138 359 -CG2_GB1_16 NE1_GB1_43 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.0 1.0 1.0 1.0 False mg 7 138 366 -CG2_GB1_16 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 372 +CG2_GB1_16 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 138 359 +CG2_GB1_16 NE1_GB1_43 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.0 1.0 1.0 1.0 False mg 7 138 366 +CG2_GB1_16 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 372 CG2_GB1_16 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 138 373 -CG2_GB1_16 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 138 374 -CG2_GB1_16 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 138 378 -CG2_GB1_16 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 380 +CG2_GB1_16 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 138 374 +CG2_GB1_16 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 138 378 +CG2_GB1_16 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 380 CG2_GB1_16 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 138 381 -CG2_GB1_16 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 138 382 -CG2_GB1_16 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 138 392 -CG2_GB1_16 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 393 +CG2_GB1_16 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 138 382 +CG2_GB1_16 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 138 392 +CG2_GB1_16 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 393 CG2_GB1_16 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 138 394 -CG2_GB1_16 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 138 395 -CG2_GB1_16 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 399 +CG2_GB1_16 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 138 395 +CG2_GB1_16 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 399 CG2_GB1_16 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 138 400 CG2_GB1_16 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 138 401 -CG2_GB1_16 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 402 +CG2_GB1_16 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 402 CG2_GB1_16 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 138 403 -CG2_GB1_16 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 138 404 -CG2_GB1_16 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 408 +CG2_GB1_16 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 138 404 +CG2_GB1_16 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 408 CG2_GB1_16 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 138 409 CG2_GB1_16 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 138 410 -CG2_GB1_16 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 411 +CG2_GB1_16 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 411 CG2_GB1_16 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 138 412 -CG2_GB1_16 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 138 413 -CG2_GB1_16 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 417 +CG2_GB1_16 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 138 413 +CG2_GB1_16 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 417 CG2_GB1_16 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 138 418 -CG2_GB1_16 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 138 419 -CG2_GB1_16 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 138 423 -CG2_GB1_16 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 425 +CG2_GB1_16 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 138 419 +CG2_GB1_16 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 138 423 +CG2_GB1_16 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 425 CG2_GB1_16 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 138 426 -CG2_GB1_16 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 138 427 -CG2_GB1_16 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 138 434 -CG2_GB1_16 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 435 +CG2_GB1_16 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 138 427 +CG2_GB1_16 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 138 434 +CG2_GB1_16 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 435 CG2_GB1_16 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 138 436 -CG2_GB1_16 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 138 437 -CG2_GB1_16 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 138 441 -CG2_GB1_16 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 443 +CG2_GB1_16 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 138 437 +CG2_GB1_16 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 138 441 +CG2_GB1_16 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 443 CG2_GB1_16 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 138 444 -CG2_GB1_16 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 138 445 -CG2_GB1_16 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 455 +CG2_GB1_16 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 138 445 +CG2_GB1_16 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 455 CG2_GB1_16 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 138 456 -CG2_GB1_16 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 138 457 -CG2_GB1_16 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 138 461 -CG2_GB1_16 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 463 +CG2_GB1_16 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 138 457 +CG2_GB1_16 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 138 461 +CG2_GB1_16 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 463 CG2_GB1_16 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 138 464 -CG2_GB1_16 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 138 465 -CG2_GB1_16 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 471 +CG2_GB1_16 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 138 465 +CG2_GB1_16 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 471 CG2_GB1_16 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 138 472 -CG2_GB1_16 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 138 473 -CG2_GB1_16 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 138 477 -CG2_GB1_16 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 479 +CG2_GB1_16 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 138 473 +CG2_GB1_16 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 138 477 +CG2_GB1_16 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 479 CG2_GB1_16 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 138 480 -CG2_GB1_16 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 138 481 -CG2_GB1_16 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 486 +CG2_GB1_16 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 138 481 +CG2_GB1_16 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 486 CG2_GB1_16 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 138 487 CG2_GB1_16 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 138 488 -CG2_GB1_16 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 138 489 +CG2_GB1_16 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 138 489 CG2_GB1_16 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 138 490 CG2_GB1_16 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 138 491 - C_GB1_16 CB_GB1_17 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 139 144 - C_GB1_16 CG2_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 139 146 - C_GB1_16 CB_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 139 152 - C_GB1_16 CG2_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 139 154 - C_GB1_16 CB_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 139 160 - C_GB1_16 CG_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 139 161 - C_GB1_16 CB_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 139 170 - C_GB1_16 CB_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 139 176 - C_GB1_16 CG1_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 139 177 - C_GB1_16 CG2_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 139 178 - C_GB1_16 CB_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 139 184 - C_GB1_16 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 139 193 - C_GB1_16 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 139 199 - C_GB1_16 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 139 205 - C_GB1_16 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 139 207 - C_GB1_16 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 139 213 - C_GB1_16 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 139 219 - C_GB1_16 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 139 220 - C_GB1_16 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 139 229 - C_GB1_16 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 139 230 - C_GB1_16 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 139 231 - C_GB1_16 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 139 232 - C_GB1_16 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 139 239 - C_GB1_16 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 139 240 - C_GB1_16 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 139 241 - C_GB1_16 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 139 247 - C_GB1_16 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 139 259 - C_GB1_16 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 139 260 - C_GB1_16 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 139 261 - C_GB1_16 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 139 262 - C_GB1_16 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 139 269 - C_GB1_16 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 139 270 - C_GB1_16 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 139 279 - C_GB1_16 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 139 292 - C_GB1_16 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 139 298 - C_GB1_16 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 139 307 - C_GB1_16 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 139 316 - C_GB1_16 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 139 324 - C_GB1_16 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 139 330 - C_GB1_16 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 139 331 - C_GB1_16 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 139 332 - C_GB1_16 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 139 338 - C_GB1_16 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 139 346 - C_GB1_16 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 139 352 - C_GB1_16 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 139 353 - C_GB1_16 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 139 362 - C_GB1_16 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 139 377 - C_GB1_16 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 139 379 - C_GB1_16 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 139 385 - C_GB1_16 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 139 398 - C_GB1_16 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 139 407 - C_GB1_16 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 139 416 - C_GB1_16 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 139 422 - C_GB1_16 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 139 424 - C_GB1_16 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 139 430 - C_GB1_16 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 139 431 - C_GB1_16 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 139 432 - C_GB1_16 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 139 433 - C_GB1_16 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 139 440 - C_GB1_16 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 139 442 - C_GB1_16 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 139 448 - C_GB1_16 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 139 460 - C_GB1_16 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 139 462 - C_GB1_16 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 139 468 - C_GB1_16 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 139 469 - C_GB1_16 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 139 470 - C_GB1_16 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 139 476 - C_GB1_16 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 139 478 - C_GB1_16 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 139 484 - C_GB1_16 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 139 485 + C_GB1_16 CB_GB1_17 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 139 144 + C_GB1_16 CG2_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 139 146 + C_GB1_16 CB_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 139 152 + C_GB1_16 CG2_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 139 154 + C_GB1_16 CB_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 139 160 + C_GB1_16 CG_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 139 161 + C_GB1_16 CB_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 139 170 + C_GB1_16 CB_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 139 176 + C_GB1_16 CG1_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 139 177 + C_GB1_16 CG2_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 139 178 + C_GB1_16 CB_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 139 184 + C_GB1_16 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 139 193 + C_GB1_16 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 139 199 + C_GB1_16 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 139 205 + C_GB1_16 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 139 207 + C_GB1_16 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 139 213 + C_GB1_16 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 139 219 + C_GB1_16 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 139 220 + C_GB1_16 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 139 229 + C_GB1_16 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 139 230 + C_GB1_16 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 139 231 + C_GB1_16 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 139 232 + C_GB1_16 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 139 239 + C_GB1_16 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 139 240 + C_GB1_16 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 139 241 + C_GB1_16 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 139 247 + C_GB1_16 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 139 259 + C_GB1_16 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 139 260 + C_GB1_16 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 139 261 + C_GB1_16 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 139 262 + C_GB1_16 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 139 269 + C_GB1_16 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 139 270 + C_GB1_16 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 139 279 + C_GB1_16 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 139 292 + C_GB1_16 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 139 298 + C_GB1_16 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 139 307 + C_GB1_16 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 139 316 + C_GB1_16 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 139 324 + C_GB1_16 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 139 330 + C_GB1_16 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 139 331 + C_GB1_16 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 139 332 + C_GB1_16 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 139 338 + C_GB1_16 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 139 346 + C_GB1_16 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 139 352 + C_GB1_16 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 139 353 + C_GB1_16 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 139 362 + C_GB1_16 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 139 377 + C_GB1_16 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 139 379 + C_GB1_16 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 139 385 + C_GB1_16 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 139 398 + C_GB1_16 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 139 407 + C_GB1_16 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 139 416 + C_GB1_16 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 139 422 + C_GB1_16 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 139 424 + C_GB1_16 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 139 430 + C_GB1_16 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 139 431 + C_GB1_16 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 139 432 + C_GB1_16 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 139 433 + C_GB1_16 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 139 440 + C_GB1_16 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 139 442 + C_GB1_16 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 139 448 + C_GB1_16 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 139 460 + C_GB1_16 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 139 462 + C_GB1_16 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 139 468 + C_GB1_16 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 139 469 + C_GB1_16 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 139 470 + C_GB1_16 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 139 476 + C_GB1_16 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 139 478 + C_GB1_16 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 139 484 + C_GB1_16 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 139 485 O_GB1_16 O_GB1_16 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 140 140 O_GB1_16 H_GB1_17 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 140 142 O_GB1_16 CB_GB1_17 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 140 144 @@ -19314,76 +19314,76 @@ CG2_GB1_16 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- O_GB1_16 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 140 488 O_GB1_16 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 140 490 O_GB1_16 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 140 491 - N_GB1_17 CB_GB1_17 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 141 144 - N_GB1_17 CG2_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 141 146 - N_GB1_17 CB_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 141 152 - N_GB1_17 CG2_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 141 154 - N_GB1_17 CB_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 141 160 - N_GB1_17 CG_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 141 161 - N_GB1_17 CB_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 141 170 - N_GB1_17 CB_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 141 176 - N_GB1_17 CG1_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 141 177 - N_GB1_17 CG2_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 141 178 - N_GB1_17 CB_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 141 184 - N_GB1_17 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 141 193 - N_GB1_17 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 141 199 - N_GB1_17 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 141 205 - N_GB1_17 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 141 207 - N_GB1_17 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 141 213 - N_GB1_17 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 141 219 - N_GB1_17 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 141 220 - N_GB1_17 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 141 229 - N_GB1_17 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 141 230 - N_GB1_17 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 141 231 - N_GB1_17 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 141 232 - N_GB1_17 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 141 239 - N_GB1_17 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 141 240 - N_GB1_17 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 141 241 - N_GB1_17 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 141 247 - N_GB1_17 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 141 259 - N_GB1_17 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 141 260 - N_GB1_17 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 141 261 - N_GB1_17 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 141 262 - N_GB1_17 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 141 269 - N_GB1_17 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 141 270 - N_GB1_17 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 141 279 - N_GB1_17 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 141 292 - N_GB1_17 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 141 298 - N_GB1_17 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 141 307 - N_GB1_17 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 141 316 - N_GB1_17 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 141 324 - N_GB1_17 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 141 330 - N_GB1_17 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 141 331 - N_GB1_17 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 141 332 - N_GB1_17 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 141 338 - N_GB1_17 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 141 346 - N_GB1_17 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 141 352 - N_GB1_17 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 141 353 - N_GB1_17 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 141 362 - N_GB1_17 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 141 377 - N_GB1_17 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 141 379 - N_GB1_17 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 141 385 - N_GB1_17 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 141 398 - N_GB1_17 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 141 407 - N_GB1_17 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 141 416 - N_GB1_17 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 141 422 - N_GB1_17 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 141 424 - N_GB1_17 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 141 430 - N_GB1_17 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 141 431 - N_GB1_17 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 141 432 - N_GB1_17 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 141 433 - N_GB1_17 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 141 440 - N_GB1_17 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 141 442 - N_GB1_17 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 141 448 - N_GB1_17 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 141 460 - N_GB1_17 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 141 462 - N_GB1_17 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 141 468 - N_GB1_17 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 141 469 - N_GB1_17 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 141 470 - N_GB1_17 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 141 476 - N_GB1_17 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 141 478 - N_GB1_17 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 141 484 - N_GB1_17 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 141 485 + N_GB1_17 CB_GB1_17 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 141 144 + N_GB1_17 CG2_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 141 146 + N_GB1_17 CB_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 141 152 + N_GB1_17 CG2_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 141 154 + N_GB1_17 CB_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 141 160 + N_GB1_17 CG_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 141 161 + N_GB1_17 CB_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 141 170 + N_GB1_17 CB_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 141 176 + N_GB1_17 CG1_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 141 177 + N_GB1_17 CG2_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 141 178 + N_GB1_17 CB_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 141 184 + N_GB1_17 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 141 193 + N_GB1_17 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 141 199 + N_GB1_17 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 141 205 + N_GB1_17 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 141 207 + N_GB1_17 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 141 213 + N_GB1_17 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 141 219 + N_GB1_17 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 141 220 + N_GB1_17 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 141 229 + N_GB1_17 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 141 230 + N_GB1_17 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 141 231 + N_GB1_17 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 141 232 + N_GB1_17 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 141 239 + N_GB1_17 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 141 240 + N_GB1_17 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 141 241 + N_GB1_17 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 141 247 + N_GB1_17 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 141 259 + N_GB1_17 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 141 260 + N_GB1_17 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 141 261 + N_GB1_17 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 141 262 + N_GB1_17 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 141 269 + N_GB1_17 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 141 270 + N_GB1_17 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 141 279 + N_GB1_17 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 141 292 + N_GB1_17 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 141 298 + N_GB1_17 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 141 307 + N_GB1_17 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 141 316 + N_GB1_17 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 141 324 + N_GB1_17 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 141 330 + N_GB1_17 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 141 331 + N_GB1_17 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 141 332 + N_GB1_17 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 141 338 + N_GB1_17 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 141 346 + N_GB1_17 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 141 352 + N_GB1_17 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 141 353 + N_GB1_17 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 141 362 + N_GB1_17 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 141 377 + N_GB1_17 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 141 379 + N_GB1_17 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 141 385 + N_GB1_17 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 141 398 + N_GB1_17 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 141 407 + N_GB1_17 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 141 416 + N_GB1_17 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 141 422 + N_GB1_17 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 141 424 + N_GB1_17 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 141 430 + N_GB1_17 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 141 431 + N_GB1_17 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 141 432 + N_GB1_17 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 141 433 + N_GB1_17 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 141 440 + N_GB1_17 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 141 442 + N_GB1_17 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 141 448 + N_GB1_17 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 141 460 + N_GB1_17 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 141 462 + N_GB1_17 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 141 468 + N_GB1_17 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 141 469 + N_GB1_17 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 141 470 + N_GB1_17 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 141 476 + N_GB1_17 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 141 478 + N_GB1_17 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 141 484 + N_GB1_17 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 141 485 H_GB1_17 H_GB1_17 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 142 142 H_GB1_17 OG1_GB1_17 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 142 145 H_GB1_17 O_GB1_17 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 142 148 @@ -19496,521 +19496,521 @@ CG2_GB1_16 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- H_GB1_17 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 142 488 H_GB1_17 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 142 490 H_GB1_17 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 142 491 - CB_GB1_17 OG1_GB1_17 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 144 145 - CB_GB1_17 C_GB1_17 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 147 + CB_GB1_17 OG1_GB1_17 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 144 145 + CB_GB1_17 C_GB1_17 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 147 CB_GB1_17 O_GB1_17 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 144 148 - CB_GB1_17 N_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 144 149 - CB_GB1_17 OG1_GB1_18 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 144 153 - CB_GB1_17 C_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 155 + CB_GB1_17 N_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 144 149 + CB_GB1_17 OG1_GB1_18 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 144 153 + CB_GB1_17 C_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 155 CB_GB1_17 O_GB1_18 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 144 156 - CB_GB1_17 N_GB1_19 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 144 157 - CB_GB1_17 CD_GB1_19 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 162 - CB_GB1_17 OE1_GB1_19 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 144 163 - CB_GB1_17 OE2_GB1_19 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 144 164 - CB_GB1_17 C_GB1_19 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 165 + CB_GB1_17 N_GB1_19 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 144 157 + CB_GB1_17 CD_GB1_19 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 162 + CB_GB1_17 OE1_GB1_19 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 144 163 + CB_GB1_17 OE2_GB1_19 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 144 164 + CB_GB1_17 C_GB1_19 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 165 CB_GB1_17 O_GB1_19 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 144 166 - CB_GB1_17 N_GB1_20 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 144 167 - CB_GB1_17 C_GB1_20 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 171 + CB_GB1_17 N_GB1_20 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 144 167 + CB_GB1_17 C_GB1_20 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 171 CB_GB1_17 O_GB1_20 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 144 172 - CB_GB1_17 N_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 144 173 - CB_GB1_17 C_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 179 + CB_GB1_17 N_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 144 173 + CB_GB1_17 C_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 179 CB_GB1_17 O_GB1_21 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 144 180 - CB_GB1_17 N_GB1_22 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 144 181 - CB_GB1_17 CG_GB1_22 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 185 - CB_GB1_17 OD1_GB1_22 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 144 186 - CB_GB1_17 OD2_GB1_22 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 144 187 - CB_GB1_17 C_GB1_22 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 188 + CB_GB1_17 N_GB1_22 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 144 181 + CB_GB1_17 CG_GB1_22 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 185 + CB_GB1_17 OD1_GB1_22 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 144 186 + CB_GB1_17 OD2_GB1_22 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 144 187 + CB_GB1_17 C_GB1_22 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 188 CB_GB1_17 O_GB1_22 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 144 189 - CB_GB1_17 N_GB1_23 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 144 190 - CB_GB1_17 C_GB1_23 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 194 + CB_GB1_17 N_GB1_23 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 144 190 + CB_GB1_17 C_GB1_23 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 194 CB_GB1_17 O_GB1_23 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 144 195 - CB_GB1_17 N_GB1_24 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 144 196 - CB_GB1_17 C_GB1_24 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 200 + CB_GB1_17 N_GB1_24 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 144 196 + CB_GB1_17 C_GB1_24 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 200 CB_GB1_17 O_GB1_24 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 144 201 - CB_GB1_17 N_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 144 202 - CB_GB1_17 OG1_GB1_25 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 144 206 - CB_GB1_17 C_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 208 + CB_GB1_17 N_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 144 202 + CB_GB1_17 OG1_GB1_25 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 144 206 + CB_GB1_17 C_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 208 CB_GB1_17 O_GB1_25 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 144 209 - CB_GB1_17 N_GB1_26 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 144 210 - CB_GB1_17 C_GB1_26 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 214 + CB_GB1_17 N_GB1_26 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 144 210 + CB_GB1_17 C_GB1_26 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 214 CB_GB1_17 O_GB1_26 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 144 215 - CB_GB1_17 N_GB1_27 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 144 216 - CB_GB1_17 CD_GB1_27 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 221 - CB_GB1_17 OE1_GB1_27 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 144 222 - CB_GB1_17 OE2_GB1_27 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 144 223 - CB_GB1_17 C_GB1_27 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 224 + CB_GB1_17 N_GB1_27 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 144 216 + CB_GB1_17 CD_GB1_27 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 221 + CB_GB1_17 OE1_GB1_27 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 144 222 + CB_GB1_17 OE2_GB1_27 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 144 223 + CB_GB1_17 C_GB1_27 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 224 CB_GB1_17 O_GB1_27 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 144 225 - CB_GB1_17 N_GB1_28 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 144 226 - CB_GB1_17 NZ_GB1_28 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 144 233 - CB_GB1_17 C_GB1_28 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 234 + CB_GB1_17 N_GB1_28 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 144 226 + CB_GB1_17 NZ_GB1_28 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 144 233 + CB_GB1_17 C_GB1_28 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 234 CB_GB1_17 O_GB1_28 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 144 235 - CB_GB1_17 N_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 144 236 - CB_GB1_17 C_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 242 + CB_GB1_17 N_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 144 236 + CB_GB1_17 C_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 242 CB_GB1_17 O_GB1_29 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 144 243 - CB_GB1_17 N_GB1_30 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 144 244 - CB_GB1_17 C_GB1_30 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 254 + CB_GB1_17 N_GB1_30 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 144 244 + CB_GB1_17 C_GB1_30 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 254 CB_GB1_17 O_GB1_30 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 144 255 - CB_GB1_17 N_GB1_31 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 144 256 - CB_GB1_17 NZ_GB1_31 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 144 263 - CB_GB1_17 C_GB1_31 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 264 + CB_GB1_17 N_GB1_31 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 144 256 + CB_GB1_17 NZ_GB1_31 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 144 263 + CB_GB1_17 C_GB1_31 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 264 CB_GB1_17 O_GB1_31 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 144 265 - CB_GB1_17 N_GB1_32 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 144 266 - CB_GB1_17 CD_GB1_32 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 271 + CB_GB1_17 N_GB1_32 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 144 266 + CB_GB1_17 CD_GB1_32 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 271 CB_GB1_17 OE1_GB1_32 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 144 272 - CB_GB1_17 NE2_GB1_32 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 144 273 - CB_GB1_17 C_GB1_32 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 274 + CB_GB1_17 NE2_GB1_32 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 144 273 + CB_GB1_17 C_GB1_32 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 274 CB_GB1_17 O_GB1_32 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 144 275 - CB_GB1_17 N_GB1_33 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 144 276 - CB_GB1_17 OH_GB1_33 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 144 286 - CB_GB1_17 C_GB1_33 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 287 + CB_GB1_17 N_GB1_33 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 144 276 + CB_GB1_17 OH_GB1_33 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 144 286 + CB_GB1_17 C_GB1_33 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 287 CB_GB1_17 O_GB1_33 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 144 288 - CB_GB1_17 N_GB1_34 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 144 289 - CB_GB1_17 C_GB1_34 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 293 + CB_GB1_17 N_GB1_34 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 144 289 + CB_GB1_17 C_GB1_34 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 293 CB_GB1_17 O_GB1_34 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 144 294 - CB_GB1_17 N_GB1_35 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 144 295 - CB_GB1_17 CG_GB1_35 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 299 + CB_GB1_17 N_GB1_35 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 144 295 + CB_GB1_17 CG_GB1_35 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 299 CB_GB1_17 OD1_GB1_35 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 144 300 - CB_GB1_17 ND2_GB1_35 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 144 301 - CB_GB1_17 C_GB1_35 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 302 + CB_GB1_17 ND2_GB1_35 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 144 301 + CB_GB1_17 C_GB1_35 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 302 CB_GB1_17 O_GB1_35 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 144 303 - CB_GB1_17 N_GB1_36 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 144 304 - CB_GB1_17 CG_GB1_36 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 308 - CB_GB1_17 OD1_GB1_36 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 144 309 - CB_GB1_17 OD2_GB1_36 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 144 310 - CB_GB1_17 C_GB1_36 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 311 + CB_GB1_17 N_GB1_36 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 144 304 + CB_GB1_17 CG_GB1_36 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 308 + CB_GB1_17 OD1_GB1_36 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 144 309 + CB_GB1_17 OD2_GB1_36 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 144 310 + CB_GB1_17 C_GB1_36 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 311 CB_GB1_17 O_GB1_36 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 144 312 - CB_GB1_17 N_GB1_37 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 144 313 - CB_GB1_17 CG_GB1_37 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 317 + CB_GB1_17 N_GB1_37 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 144 313 + CB_GB1_17 CG_GB1_37 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 317 CB_GB1_17 OD1_GB1_37 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 144 318 - CB_GB1_17 ND2_GB1_37 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 144 319 - CB_GB1_17 C_GB1_37 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 320 + CB_GB1_17 ND2_GB1_37 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 144 319 + CB_GB1_17 C_GB1_37 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 320 CB_GB1_17 O_GB1_37 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 144 321 - CB_GB1_17 N_GB1_38 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 144 322 - CB_GB1_17 C_GB1_38 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 325 + CB_GB1_17 N_GB1_38 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 144 322 + CB_GB1_17 C_GB1_38 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 325 CB_GB1_17 O_GB1_38 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 144 326 - CB_GB1_17 N_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 144 327 - CB_GB1_17 C_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 333 + CB_GB1_17 N_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 144 327 + CB_GB1_17 C_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 333 CB_GB1_17 O_GB1_39 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 144 334 - CB_GB1_17 N_GB1_40 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 144 335 - CB_GB1_17 CG_GB1_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 339 - CB_GB1_17 OD1_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 144 340 - CB_GB1_17 OD2_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 144 341 - CB_GB1_17 C_GB1_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 342 + CB_GB1_17 N_GB1_40 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 144 335 + CB_GB1_17 CG_GB1_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 339 + CB_GB1_17 OD1_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 144 340 + CB_GB1_17 OD2_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 144 341 + CB_GB1_17 C_GB1_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 342 CB_GB1_17 O_GB1_40 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 144 343 - CB_GB1_17 N_GB1_41 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 144 344 - CB_GB1_17 C_GB1_41 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 347 + CB_GB1_17 N_GB1_41 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 144 344 + CB_GB1_17 C_GB1_41 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 347 CB_GB1_17 O_GB1_41 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 144 348 - CB_GB1_17 N_GB1_42 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 144 349 - CB_GB1_17 CD_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 354 - CB_GB1_17 OE1_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 144 355 - CB_GB1_17 OE2_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 144 356 - CB_GB1_17 C_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 357 + CB_GB1_17 N_GB1_42 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 144 349 + CB_GB1_17 CD_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 354 + CB_GB1_17 OE1_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 144 355 + CB_GB1_17 OE2_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 144 356 + CB_GB1_17 C_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 357 CB_GB1_17 O_GB1_42 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 144 358 - CB_GB1_17 N_GB1_43 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 144 359 - CB_GB1_17 NE1_GB1_43 1 0.000000e+00 9.937288e-06 ; 8.853117e-06 -9.937288e-06 1.0 1.0 1.0 1.0 False mg 7 144 366 - CB_GB1_17 C_GB1_43 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 372 + CB_GB1_17 N_GB1_43 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 144 359 + CB_GB1_17 NE1_GB1_43 1 0.000000e+00 9.937231e-06 ; 8.853066e-06 -9.937231e-06 1.0 1.0 1.0 1.0 False mg 7 144 366 + CB_GB1_17 C_GB1_43 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 372 CB_GB1_17 O_GB1_43 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 144 373 - CB_GB1_17 N_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 144 374 - CB_GB1_17 OG1_GB1_44 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 144 378 - CB_GB1_17 C_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 380 + CB_GB1_17 N_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 144 374 + CB_GB1_17 OG1_GB1_44 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 144 378 + CB_GB1_17 C_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 380 CB_GB1_17 O_GB1_44 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 144 381 - CB_GB1_17 N_GB1_45 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 144 382 - CB_GB1_17 OH_GB1_45 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 144 392 - CB_GB1_17 C_GB1_45 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 393 + CB_GB1_17 N_GB1_45 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 144 382 + CB_GB1_17 OH_GB1_45 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 144 392 + CB_GB1_17 C_GB1_45 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 393 CB_GB1_17 O_GB1_45 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 144 394 - CB_GB1_17 N_GB1_46 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 144 395 - CB_GB1_17 CG_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 399 - CB_GB1_17 OD1_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 144 400 - CB_GB1_17 OD2_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 144 401 - CB_GB1_17 C_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 402 + CB_GB1_17 N_GB1_46 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 144 395 + CB_GB1_17 CG_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 399 + CB_GB1_17 OD1_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 144 400 + CB_GB1_17 OD2_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 144 401 + CB_GB1_17 C_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 402 CB_GB1_17 O_GB1_46 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 144 403 - CB_GB1_17 N_GB1_47 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 144 404 - CB_GB1_17 CG_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 408 - CB_GB1_17 OD1_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 144 409 - CB_GB1_17 OD2_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 144 410 - CB_GB1_17 C_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 411 + CB_GB1_17 N_GB1_47 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 144 404 + CB_GB1_17 CG_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 408 + CB_GB1_17 OD1_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 144 409 + CB_GB1_17 OD2_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 144 410 + CB_GB1_17 C_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 411 CB_GB1_17 O_GB1_47 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 144 412 - CB_GB1_17 N_GB1_48 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 144 413 - CB_GB1_17 C_GB1_48 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 417 + CB_GB1_17 N_GB1_48 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 144 413 + CB_GB1_17 C_GB1_48 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 417 CB_GB1_17 O_GB1_48 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 144 418 - CB_GB1_17 N_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 144 419 - CB_GB1_17 OG1_GB1_49 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 144 423 - CB_GB1_17 C_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 425 + CB_GB1_17 N_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 144 419 + CB_GB1_17 OG1_GB1_49 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 144 423 + CB_GB1_17 C_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 425 CB_GB1_17 O_GB1_49 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 144 426 - CB_GB1_17 N_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 144 427 - CB_GB1_17 NZ_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 144 434 - CB_GB1_17 C_GB1_50 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 435 + CB_GB1_17 N_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 144 427 + CB_GB1_17 NZ_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 144 434 + CB_GB1_17 C_GB1_50 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 435 CB_GB1_17 O_GB1_50 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 144 436 - CB_GB1_17 N_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 144 437 - CB_GB1_17 OG1_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 144 441 - CB_GB1_17 C_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 443 + CB_GB1_17 N_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 144 437 + CB_GB1_17 OG1_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 144 441 + CB_GB1_17 C_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 443 CB_GB1_17 O_GB1_51 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 144 444 - CB_GB1_17 N_GB1_52 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 144 445 - CB_GB1_17 C_GB1_52 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 455 + CB_GB1_17 N_GB1_52 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 144 445 + CB_GB1_17 C_GB1_52 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 455 CB_GB1_17 O_GB1_52 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 144 456 - CB_GB1_17 N_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 144 457 - CB_GB1_17 OG1_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 144 461 - CB_GB1_17 C_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 463 + CB_GB1_17 N_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 144 457 + CB_GB1_17 OG1_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 144 461 + CB_GB1_17 C_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 463 CB_GB1_17 O_GB1_53 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 144 464 - CB_GB1_17 N_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 144 465 - CB_GB1_17 C_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 471 + CB_GB1_17 N_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 144 465 + CB_GB1_17 C_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 471 CB_GB1_17 O_GB1_54 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 144 472 - CB_GB1_17 N_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 144 473 - CB_GB1_17 OG1_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 144 477 - CB_GB1_17 C_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 479 + CB_GB1_17 N_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 144 473 + CB_GB1_17 OG1_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 144 477 + CB_GB1_17 C_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 479 CB_GB1_17 O_GB1_55 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 144 480 - CB_GB1_17 N_GB1_56 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 144 481 - CB_GB1_17 CD_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 486 - CB_GB1_17 OE1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 144 487 - CB_GB1_17 OE2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 144 488 - CB_GB1_17 C_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 144 489 - CB_GB1_17 O1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 144 490 - CB_GB1_17 O2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 144 491 -OG1_GB1_17 CG2_GB1_17 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 145 146 + CB_GB1_17 N_GB1_56 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 144 481 + CB_GB1_17 CD_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 486 + CB_GB1_17 OE1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 144 487 + CB_GB1_17 OE2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 144 488 + CB_GB1_17 C_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 144 489 + CB_GB1_17 O1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 144 490 + CB_GB1_17 O2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 144 491 +OG1_GB1_17 CG2_GB1_17 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 145 146 OG1_GB1_17 H_GB1_18 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 145 150 -OG1_GB1_17 CB_GB1_18 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 145 152 -OG1_GB1_17 CG2_GB1_18 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 145 154 +OG1_GB1_17 CB_GB1_18 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 145 152 +OG1_GB1_17 CG2_GB1_18 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 145 154 OG1_GB1_17 H_GB1_19 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 145 158 -OG1_GB1_17 CB_GB1_19 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 145 160 -OG1_GB1_17 CG_GB1_19 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 145 161 +OG1_GB1_17 CB_GB1_19 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 145 160 +OG1_GB1_17 CG_GB1_19 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 145 161 OG1_GB1_17 H_GB1_20 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 145 168 -OG1_GB1_17 CB_GB1_20 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 145 170 +OG1_GB1_17 CB_GB1_20 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 145 170 OG1_GB1_17 H_GB1_21 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 145 174 -OG1_GB1_17 CB_GB1_21 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 145 176 -OG1_GB1_17 CG1_GB1_21 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 145 177 -OG1_GB1_17 CG2_GB1_21 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 145 178 +OG1_GB1_17 CB_GB1_21 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 145 176 +OG1_GB1_17 CG1_GB1_21 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 145 177 +OG1_GB1_17 CG2_GB1_21 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 145 178 OG1_GB1_17 H_GB1_22 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 145 182 -OG1_GB1_17 CB_GB1_22 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 145 184 +OG1_GB1_17 CB_GB1_22 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 145 184 OG1_GB1_17 H_GB1_23 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 145 191 -OG1_GB1_17 CB_GB1_23 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 145 193 +OG1_GB1_17 CB_GB1_23 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 145 193 OG1_GB1_17 H_GB1_24 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 145 197 -OG1_GB1_17 CB_GB1_24 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 145 199 +OG1_GB1_17 CB_GB1_24 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 145 199 OG1_GB1_17 H_GB1_25 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 145 203 -OG1_GB1_17 CB_GB1_25 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 145 205 -OG1_GB1_17 CG2_GB1_25 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 145 207 +OG1_GB1_17 CB_GB1_25 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 145 205 +OG1_GB1_17 CG2_GB1_25 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 145 207 OG1_GB1_17 H_GB1_26 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 145 211 -OG1_GB1_17 CB_GB1_26 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 145 213 +OG1_GB1_17 CB_GB1_26 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 145 213 OG1_GB1_17 H_GB1_27 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 145 217 -OG1_GB1_17 CB_GB1_27 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 145 219 -OG1_GB1_17 CG_GB1_27 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 145 220 +OG1_GB1_17 CB_GB1_27 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 145 219 +OG1_GB1_17 CG_GB1_27 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 145 220 OG1_GB1_17 H_GB1_28 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 145 227 -OG1_GB1_17 CB_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 145 229 -OG1_GB1_17 CG_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 145 230 -OG1_GB1_17 CD_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 145 231 -OG1_GB1_17 CE_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 145 232 +OG1_GB1_17 CB_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 145 229 +OG1_GB1_17 CG_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 145 230 +OG1_GB1_17 CD_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 145 231 +OG1_GB1_17 CE_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 145 232 OG1_GB1_17 H_GB1_29 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 145 237 -OG1_GB1_17 CB_GB1_29 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 145 239 -OG1_GB1_17 CG1_GB1_29 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 145 240 -OG1_GB1_17 CG2_GB1_29 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 145 241 +OG1_GB1_17 CB_GB1_29 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 145 239 +OG1_GB1_17 CG1_GB1_29 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 145 240 +OG1_GB1_17 CG2_GB1_29 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 145 241 OG1_GB1_17 H_GB1_30 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 145 245 -OG1_GB1_17 CB_GB1_30 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 145 247 +OG1_GB1_17 CB_GB1_30 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 145 247 OG1_GB1_17 H_GB1_31 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 145 257 -OG1_GB1_17 CB_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 145 259 -OG1_GB1_17 CG_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 145 260 -OG1_GB1_17 CD_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 145 261 -OG1_GB1_17 CE_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 145 262 +OG1_GB1_17 CB_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 145 259 +OG1_GB1_17 CG_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 145 260 +OG1_GB1_17 CD_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 145 261 +OG1_GB1_17 CE_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 145 262 OG1_GB1_17 H_GB1_32 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 145 267 -OG1_GB1_17 CB_GB1_32 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 145 269 -OG1_GB1_17 CG_GB1_32 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 145 270 +OG1_GB1_17 CB_GB1_32 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 145 269 +OG1_GB1_17 CG_GB1_32 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 145 270 OG1_GB1_17 H_GB1_33 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 145 277 -OG1_GB1_17 CB_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 145 279 +OG1_GB1_17 CB_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 145 279 OG1_GB1_17 H_GB1_34 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 145 290 -OG1_GB1_17 CB_GB1_34 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 145 292 +OG1_GB1_17 CB_GB1_34 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 145 292 OG1_GB1_17 H_GB1_35 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 145 296 -OG1_GB1_17 CB_GB1_35 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 145 298 +OG1_GB1_17 CB_GB1_35 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 145 298 OG1_GB1_17 H_GB1_36 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 145 305 -OG1_GB1_17 CB_GB1_36 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 145 307 +OG1_GB1_17 CB_GB1_36 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 145 307 OG1_GB1_17 H_GB1_37 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 145 314 -OG1_GB1_17 CB_GB1_37 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 145 316 +OG1_GB1_17 CB_GB1_37 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 145 316 OG1_GB1_17 H_GB1_38 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 145 323 -OG1_GB1_17 CA_GB1_38 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 145 324 +OG1_GB1_17 CA_GB1_38 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 145 324 OG1_GB1_17 H_GB1_39 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 145 328 -OG1_GB1_17 CB_GB1_39 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 145 330 -OG1_GB1_17 CG1_GB1_39 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 145 331 -OG1_GB1_17 CG2_GB1_39 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 145 332 +OG1_GB1_17 CB_GB1_39 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 145 330 +OG1_GB1_17 CG1_GB1_39 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 145 331 +OG1_GB1_17 CG2_GB1_39 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 145 332 OG1_GB1_17 H_GB1_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 145 336 -OG1_GB1_17 CB_GB1_40 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 145 338 +OG1_GB1_17 CB_GB1_40 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 145 338 OG1_GB1_17 H_GB1_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 145 345 -OG1_GB1_17 CA_GB1_41 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 145 346 +OG1_GB1_17 CA_GB1_41 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 145 346 OG1_GB1_17 H_GB1_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 145 350 -OG1_GB1_17 CB_GB1_42 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 145 352 -OG1_GB1_17 CG_GB1_42 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 145 353 +OG1_GB1_17 CB_GB1_42 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 145 352 +OG1_GB1_17 CG_GB1_42 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 145 353 OG1_GB1_17 H_GB1_43 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 145 360 -OG1_GB1_17 CB_GB1_43 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 145 362 +OG1_GB1_17 CB_GB1_43 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 145 362 OG1_GB1_17 H_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 145 375 -OG1_GB1_17 CB_GB1_44 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 145 377 -OG1_GB1_17 CG2_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 145 379 +OG1_GB1_17 CB_GB1_44 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 145 377 +OG1_GB1_17 CG2_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 145 379 OG1_GB1_17 H_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 145 383 -OG1_GB1_17 CB_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 145 385 +OG1_GB1_17 CB_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 145 385 OG1_GB1_17 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 145 396 -OG1_GB1_17 CB_GB1_46 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 145 398 +OG1_GB1_17 CB_GB1_46 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 145 398 OG1_GB1_17 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 145 405 -OG1_GB1_17 CB_GB1_47 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 145 407 +OG1_GB1_17 CB_GB1_47 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 145 407 OG1_GB1_17 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 145 414 -OG1_GB1_17 CB_GB1_48 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 145 416 +OG1_GB1_17 CB_GB1_48 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 145 416 OG1_GB1_17 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 145 420 -OG1_GB1_17 CB_GB1_49 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 145 422 -OG1_GB1_17 CG2_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 145 424 +OG1_GB1_17 CB_GB1_49 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 145 422 +OG1_GB1_17 CG2_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 145 424 OG1_GB1_17 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 145 428 -OG1_GB1_17 CB_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 145 430 -OG1_GB1_17 CG_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 145 431 -OG1_GB1_17 CD_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 145 432 -OG1_GB1_17 CE_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 145 433 +OG1_GB1_17 CB_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 145 430 +OG1_GB1_17 CG_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 145 431 +OG1_GB1_17 CD_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 145 432 +OG1_GB1_17 CE_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 145 433 OG1_GB1_17 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 145 438 -OG1_GB1_17 CB_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 145 440 -OG1_GB1_17 CG2_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 145 442 +OG1_GB1_17 CB_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 145 440 +OG1_GB1_17 CG2_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 145 442 OG1_GB1_17 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 145 446 -OG1_GB1_17 CB_GB1_52 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 145 448 +OG1_GB1_17 CB_GB1_52 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 145 448 OG1_GB1_17 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 145 458 -OG1_GB1_17 CB_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 145 460 -OG1_GB1_17 CG2_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 145 462 +OG1_GB1_17 CB_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 145 460 +OG1_GB1_17 CG2_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 145 462 OG1_GB1_17 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 145 466 -OG1_GB1_17 CB_GB1_54 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 145 468 -OG1_GB1_17 CG1_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 145 469 -OG1_GB1_17 CG2_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 145 470 +OG1_GB1_17 CB_GB1_54 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 145 468 +OG1_GB1_17 CG1_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 145 469 +OG1_GB1_17 CG2_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 145 470 OG1_GB1_17 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 145 474 -OG1_GB1_17 CB_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 145 476 -OG1_GB1_17 CG2_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 145 478 +OG1_GB1_17 CB_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 145 476 +OG1_GB1_17 CG2_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 145 478 OG1_GB1_17 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 145 482 -OG1_GB1_17 CB_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 145 484 -OG1_GB1_17 CG_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 145 485 -CG2_GB1_17 C_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 147 +OG1_GB1_17 CB_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 145 484 +OG1_GB1_17 CG_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 145 485 +CG2_GB1_17 C_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 147 CG2_GB1_17 O_GB1_17 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 146 148 -CG2_GB1_17 N_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 146 149 -CG2_GB1_17 OG1_GB1_18 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 146 153 -CG2_GB1_17 C_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 155 +CG2_GB1_17 N_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 146 149 +CG2_GB1_17 OG1_GB1_18 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 146 153 +CG2_GB1_17 C_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 155 CG2_GB1_17 O_GB1_18 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 146 156 -CG2_GB1_17 N_GB1_19 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 146 157 -CG2_GB1_17 CD_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 162 +CG2_GB1_17 N_GB1_19 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 146 157 +CG2_GB1_17 CD_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 162 CG2_GB1_17 OE1_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 146 163 CG2_GB1_17 OE2_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 146 164 -CG2_GB1_17 C_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 165 +CG2_GB1_17 C_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 165 CG2_GB1_17 O_GB1_19 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 146 166 -CG2_GB1_17 N_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 146 167 -CG2_GB1_17 C_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 171 +CG2_GB1_17 N_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 146 167 +CG2_GB1_17 C_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 171 CG2_GB1_17 O_GB1_20 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 146 172 -CG2_GB1_17 N_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 146 173 -CG2_GB1_17 C_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 179 +CG2_GB1_17 N_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 146 173 +CG2_GB1_17 C_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 179 CG2_GB1_17 O_GB1_21 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 146 180 -CG2_GB1_17 N_GB1_22 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 146 181 -CG2_GB1_17 CG_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 185 +CG2_GB1_17 N_GB1_22 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 146 181 +CG2_GB1_17 CG_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 185 CG2_GB1_17 OD1_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 146 186 CG2_GB1_17 OD2_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 146 187 -CG2_GB1_17 C_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 188 +CG2_GB1_17 C_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 188 CG2_GB1_17 O_GB1_22 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 146 189 -CG2_GB1_17 N_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 146 190 -CG2_GB1_17 C_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 194 +CG2_GB1_17 N_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 146 190 +CG2_GB1_17 C_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 194 CG2_GB1_17 O_GB1_23 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 146 195 -CG2_GB1_17 N_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 146 196 -CG2_GB1_17 C_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 200 +CG2_GB1_17 N_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 146 196 +CG2_GB1_17 C_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 200 CG2_GB1_17 O_GB1_24 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 146 201 -CG2_GB1_17 N_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 146 202 -CG2_GB1_17 OG1_GB1_25 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 146 206 -CG2_GB1_17 C_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 208 +CG2_GB1_17 N_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 146 202 +CG2_GB1_17 OG1_GB1_25 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 146 206 +CG2_GB1_17 C_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 208 CG2_GB1_17 O_GB1_25 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 146 209 -CG2_GB1_17 N_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 146 210 -CG2_GB1_17 C_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 214 +CG2_GB1_17 N_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 146 210 +CG2_GB1_17 C_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 214 CG2_GB1_17 O_GB1_26 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 146 215 -CG2_GB1_17 N_GB1_27 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 146 216 -CG2_GB1_17 CD_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 221 +CG2_GB1_17 N_GB1_27 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 146 216 +CG2_GB1_17 CD_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 221 CG2_GB1_17 OE1_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 146 222 CG2_GB1_17 OE2_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 146 223 -CG2_GB1_17 C_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 224 +CG2_GB1_17 C_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 224 CG2_GB1_17 O_GB1_27 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 146 225 -CG2_GB1_17 N_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 146 226 -CG2_GB1_17 NZ_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 146 233 -CG2_GB1_17 C_GB1_28 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 234 +CG2_GB1_17 N_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 146 226 +CG2_GB1_17 NZ_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 146 233 +CG2_GB1_17 C_GB1_28 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 234 CG2_GB1_17 O_GB1_28 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 146 235 -CG2_GB1_17 N_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 146 236 -CG2_GB1_17 C_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 242 +CG2_GB1_17 N_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 146 236 +CG2_GB1_17 C_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 242 CG2_GB1_17 O_GB1_29 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 146 243 -CG2_GB1_17 N_GB1_30 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 146 244 -CG2_GB1_17 C_GB1_30 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 254 +CG2_GB1_17 N_GB1_30 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 146 244 +CG2_GB1_17 C_GB1_30 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 254 CG2_GB1_17 O_GB1_30 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 146 255 -CG2_GB1_17 N_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 146 256 -CG2_GB1_17 NZ_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 146 263 -CG2_GB1_17 C_GB1_31 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 264 +CG2_GB1_17 N_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 146 256 +CG2_GB1_17 NZ_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 146 263 +CG2_GB1_17 C_GB1_31 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 264 CG2_GB1_17 O_GB1_31 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 146 265 -CG2_GB1_17 N_GB1_32 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 146 266 -CG2_GB1_17 CD_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 271 +CG2_GB1_17 N_GB1_32 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 146 266 +CG2_GB1_17 CD_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 271 CG2_GB1_17 OE1_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 146 272 -CG2_GB1_17 NE2_GB1_32 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 146 273 -CG2_GB1_17 C_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 274 +CG2_GB1_17 NE2_GB1_32 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 146 273 +CG2_GB1_17 C_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 274 CG2_GB1_17 O_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 146 275 -CG2_GB1_17 N_GB1_33 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 146 276 -CG2_GB1_17 OH_GB1_33 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 146 286 -CG2_GB1_17 C_GB1_33 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 287 +CG2_GB1_17 N_GB1_33 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 146 276 +CG2_GB1_17 OH_GB1_33 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 146 286 +CG2_GB1_17 C_GB1_33 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 287 CG2_GB1_17 O_GB1_33 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 146 288 -CG2_GB1_17 N_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 146 289 -CG2_GB1_17 C_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 293 +CG2_GB1_17 N_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 146 289 +CG2_GB1_17 C_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 293 CG2_GB1_17 O_GB1_34 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 146 294 -CG2_GB1_17 N_GB1_35 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 146 295 -CG2_GB1_17 CG_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 299 +CG2_GB1_17 N_GB1_35 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 146 295 +CG2_GB1_17 CG_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 299 CG2_GB1_17 OD1_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 146 300 -CG2_GB1_17 ND2_GB1_35 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 146 301 -CG2_GB1_17 C_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 302 +CG2_GB1_17 ND2_GB1_35 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 146 301 +CG2_GB1_17 C_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 302 CG2_GB1_17 O_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 146 303 -CG2_GB1_17 N_GB1_36 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 146 304 -CG2_GB1_17 CG_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 308 +CG2_GB1_17 N_GB1_36 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 146 304 +CG2_GB1_17 CG_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 308 CG2_GB1_17 OD1_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 146 309 CG2_GB1_17 OD2_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 146 310 -CG2_GB1_17 C_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 311 +CG2_GB1_17 C_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 311 CG2_GB1_17 O_GB1_36 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 146 312 -CG2_GB1_17 N_GB1_37 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 146 313 -CG2_GB1_17 CG_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 317 +CG2_GB1_17 N_GB1_37 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 146 313 +CG2_GB1_17 CG_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 317 CG2_GB1_17 OD1_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 146 318 -CG2_GB1_17 ND2_GB1_37 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 146 319 -CG2_GB1_17 C_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 320 +CG2_GB1_17 ND2_GB1_37 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 146 319 +CG2_GB1_17 C_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 320 CG2_GB1_17 O_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 146 321 -CG2_GB1_17 N_GB1_38 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 146 322 -CG2_GB1_17 C_GB1_38 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 325 +CG2_GB1_17 N_GB1_38 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 146 322 +CG2_GB1_17 C_GB1_38 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 325 CG2_GB1_17 O_GB1_38 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 146 326 -CG2_GB1_17 N_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 146 327 -CG2_GB1_17 C_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 333 +CG2_GB1_17 N_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 146 327 +CG2_GB1_17 C_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 333 CG2_GB1_17 O_GB1_39 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 146 334 -CG2_GB1_17 N_GB1_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 146 335 -CG2_GB1_17 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 339 +CG2_GB1_17 N_GB1_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 146 335 +CG2_GB1_17 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 339 CG2_GB1_17 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 146 340 CG2_GB1_17 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 146 341 -CG2_GB1_17 C_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 342 +CG2_GB1_17 C_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 342 CG2_GB1_17 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 146 343 -CG2_GB1_17 N_GB1_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 146 344 -CG2_GB1_17 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 347 +CG2_GB1_17 N_GB1_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 146 344 +CG2_GB1_17 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 347 CG2_GB1_17 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 146 348 -CG2_GB1_17 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 146 349 -CG2_GB1_17 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 354 +CG2_GB1_17 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 146 349 +CG2_GB1_17 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 354 CG2_GB1_17 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 146 355 CG2_GB1_17 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 146 356 -CG2_GB1_17 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 357 +CG2_GB1_17 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 357 CG2_GB1_17 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 146 358 -CG2_GB1_17 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 146 359 -CG2_GB1_17 NE1_GB1_43 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.0 1.0 1.0 1.0 False mg 7 146 366 -CG2_GB1_17 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 372 +CG2_GB1_17 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 146 359 +CG2_GB1_17 NE1_GB1_43 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.0 1.0 1.0 1.0 False mg 7 146 366 +CG2_GB1_17 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 372 CG2_GB1_17 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 146 373 -CG2_GB1_17 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 146 374 -CG2_GB1_17 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 146 378 -CG2_GB1_17 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 380 +CG2_GB1_17 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 146 374 +CG2_GB1_17 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 146 378 +CG2_GB1_17 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 380 CG2_GB1_17 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 146 381 -CG2_GB1_17 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 146 382 -CG2_GB1_17 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 146 392 -CG2_GB1_17 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 393 +CG2_GB1_17 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 146 382 +CG2_GB1_17 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 146 392 +CG2_GB1_17 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 393 CG2_GB1_17 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 146 394 -CG2_GB1_17 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 146 395 -CG2_GB1_17 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 399 +CG2_GB1_17 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 146 395 +CG2_GB1_17 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 399 CG2_GB1_17 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 146 400 CG2_GB1_17 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 146 401 -CG2_GB1_17 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 402 +CG2_GB1_17 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 402 CG2_GB1_17 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 146 403 -CG2_GB1_17 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 146 404 -CG2_GB1_17 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 408 +CG2_GB1_17 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 146 404 +CG2_GB1_17 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 408 CG2_GB1_17 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 146 409 CG2_GB1_17 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 146 410 -CG2_GB1_17 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 411 +CG2_GB1_17 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 411 CG2_GB1_17 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 146 412 -CG2_GB1_17 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 146 413 -CG2_GB1_17 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 417 +CG2_GB1_17 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 146 413 +CG2_GB1_17 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 417 CG2_GB1_17 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 146 418 -CG2_GB1_17 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 146 419 -CG2_GB1_17 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 146 423 -CG2_GB1_17 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 425 +CG2_GB1_17 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 146 419 +CG2_GB1_17 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 146 423 +CG2_GB1_17 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 425 CG2_GB1_17 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 146 426 -CG2_GB1_17 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 146 427 -CG2_GB1_17 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 146 434 -CG2_GB1_17 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 435 +CG2_GB1_17 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 146 427 +CG2_GB1_17 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 146 434 +CG2_GB1_17 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 435 CG2_GB1_17 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 146 436 -CG2_GB1_17 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 146 437 -CG2_GB1_17 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 146 441 -CG2_GB1_17 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 443 +CG2_GB1_17 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 146 437 +CG2_GB1_17 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 146 441 +CG2_GB1_17 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 443 CG2_GB1_17 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 146 444 -CG2_GB1_17 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 146 445 -CG2_GB1_17 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 455 +CG2_GB1_17 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 146 445 +CG2_GB1_17 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 455 CG2_GB1_17 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 146 456 -CG2_GB1_17 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 146 457 -CG2_GB1_17 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 146 461 -CG2_GB1_17 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 463 +CG2_GB1_17 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 146 457 +CG2_GB1_17 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 146 461 +CG2_GB1_17 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 463 CG2_GB1_17 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 146 464 -CG2_GB1_17 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 146 465 -CG2_GB1_17 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 471 +CG2_GB1_17 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 146 465 +CG2_GB1_17 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 471 CG2_GB1_17 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 146 472 -CG2_GB1_17 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 146 473 -CG2_GB1_17 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 146 477 -CG2_GB1_17 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 479 +CG2_GB1_17 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 146 473 +CG2_GB1_17 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 146 477 +CG2_GB1_17 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 479 CG2_GB1_17 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 146 480 -CG2_GB1_17 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 146 481 -CG2_GB1_17 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 486 +CG2_GB1_17 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 146 481 +CG2_GB1_17 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 486 CG2_GB1_17 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 146 487 CG2_GB1_17 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 146 488 -CG2_GB1_17 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 146 489 +CG2_GB1_17 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 146 489 CG2_GB1_17 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 146 490 CG2_GB1_17 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 146 491 - C_GB1_17 CB_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 147 152 - C_GB1_17 CG2_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 147 154 - C_GB1_17 CB_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 147 160 - C_GB1_17 CG_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 147 161 - C_GB1_17 CB_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 147 170 - C_GB1_17 CB_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 147 176 - C_GB1_17 CG1_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 147 177 - C_GB1_17 CG2_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 147 178 - C_GB1_17 CB_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 147 184 - C_GB1_17 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 147 193 - C_GB1_17 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 147 199 - C_GB1_17 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 147 205 - C_GB1_17 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 147 207 - C_GB1_17 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 147 213 - C_GB1_17 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 147 219 - C_GB1_17 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 147 220 - C_GB1_17 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 147 229 - C_GB1_17 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 147 230 - C_GB1_17 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 147 231 - C_GB1_17 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 147 232 - C_GB1_17 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 147 239 - C_GB1_17 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 147 240 - C_GB1_17 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 147 241 - C_GB1_17 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 147 247 - C_GB1_17 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 147 259 - C_GB1_17 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 147 260 - C_GB1_17 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 147 261 - C_GB1_17 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 147 262 - C_GB1_17 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 147 269 - C_GB1_17 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 147 270 - C_GB1_17 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 147 279 - C_GB1_17 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 147 292 - C_GB1_17 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 147 298 - C_GB1_17 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 147 307 - C_GB1_17 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 147 316 - C_GB1_17 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 147 324 - C_GB1_17 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 147 330 - C_GB1_17 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 147 331 - C_GB1_17 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 147 332 - C_GB1_17 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 147 338 - C_GB1_17 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 147 346 - C_GB1_17 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 147 352 - C_GB1_17 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 147 353 - C_GB1_17 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 147 362 - C_GB1_17 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 147 377 - C_GB1_17 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 147 379 - C_GB1_17 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 147 385 - C_GB1_17 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 147 398 - C_GB1_17 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 147 407 - C_GB1_17 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 147 416 - C_GB1_17 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 147 422 - C_GB1_17 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 147 424 - C_GB1_17 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 147 430 - C_GB1_17 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 147 431 - C_GB1_17 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 147 432 - C_GB1_17 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 147 433 - C_GB1_17 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 147 440 - C_GB1_17 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 147 442 - C_GB1_17 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 147 448 - C_GB1_17 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 147 460 - C_GB1_17 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 147 462 - C_GB1_17 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 147 468 - C_GB1_17 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 147 469 - C_GB1_17 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 147 470 - C_GB1_17 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 147 476 - C_GB1_17 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 147 478 - C_GB1_17 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 147 484 - C_GB1_17 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 147 485 + C_GB1_17 CB_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 147 152 + C_GB1_17 CG2_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 147 154 + C_GB1_17 CB_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 147 160 + C_GB1_17 CG_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 147 161 + C_GB1_17 CB_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 147 170 + C_GB1_17 CB_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 147 176 + C_GB1_17 CG1_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 147 177 + C_GB1_17 CG2_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 147 178 + C_GB1_17 CB_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 147 184 + C_GB1_17 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 147 193 + C_GB1_17 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 147 199 + C_GB1_17 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 147 205 + C_GB1_17 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 147 207 + C_GB1_17 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 147 213 + C_GB1_17 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 147 219 + C_GB1_17 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 147 220 + C_GB1_17 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 147 229 + C_GB1_17 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 147 230 + C_GB1_17 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 147 231 + C_GB1_17 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 147 232 + C_GB1_17 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 147 239 + C_GB1_17 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 147 240 + C_GB1_17 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 147 241 + C_GB1_17 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 147 247 + C_GB1_17 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 147 259 + C_GB1_17 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 147 260 + C_GB1_17 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 147 261 + C_GB1_17 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 147 262 + C_GB1_17 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 147 269 + C_GB1_17 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 147 270 + C_GB1_17 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 147 279 + C_GB1_17 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 147 292 + C_GB1_17 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 147 298 + C_GB1_17 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 147 307 + C_GB1_17 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 147 316 + C_GB1_17 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 147 324 + C_GB1_17 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 147 330 + C_GB1_17 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 147 331 + C_GB1_17 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 147 332 + C_GB1_17 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 147 338 + C_GB1_17 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 147 346 + C_GB1_17 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 147 352 + C_GB1_17 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 147 353 + C_GB1_17 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 147 362 + C_GB1_17 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 147 377 + C_GB1_17 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 147 379 + C_GB1_17 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 147 385 + C_GB1_17 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 147 398 + C_GB1_17 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 147 407 + C_GB1_17 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 147 416 + C_GB1_17 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 147 422 + C_GB1_17 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 147 424 + C_GB1_17 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 147 430 + C_GB1_17 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 147 431 + C_GB1_17 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 147 432 + C_GB1_17 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 147 433 + C_GB1_17 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 147 440 + C_GB1_17 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 147 442 + C_GB1_17 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 147 448 + C_GB1_17 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 147 460 + C_GB1_17 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 147 462 + C_GB1_17 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 147 468 + C_GB1_17 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 147 469 + C_GB1_17 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 147 470 + C_GB1_17 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 147 476 + C_GB1_17 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 147 478 + C_GB1_17 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 147 484 + C_GB1_17 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 147 485 O_GB1_17 O_GB1_17 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 148 148 O_GB1_17 H_GB1_18 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 148 150 O_GB1_17 CB_GB1_18 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 148 152 @@ -20180,74 +20180,74 @@ CG2_GB1_17 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- O_GB1_17 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 148 488 O_GB1_17 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 148 490 O_GB1_17 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 148 491 - N_GB1_18 CB_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 149 152 - N_GB1_18 CG2_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 149 154 - N_GB1_18 CB_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 149 160 - N_GB1_18 CG_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 149 161 - N_GB1_18 CB_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 149 170 - N_GB1_18 CB_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 149 176 - N_GB1_18 CG1_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 149 177 - N_GB1_18 CG2_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 149 178 - N_GB1_18 CB_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 149 184 - N_GB1_18 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 149 193 - N_GB1_18 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 149 199 - N_GB1_18 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 149 205 - N_GB1_18 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 149 207 - N_GB1_18 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 149 213 - N_GB1_18 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 149 219 - N_GB1_18 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 149 220 - N_GB1_18 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 149 229 - N_GB1_18 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 149 230 - N_GB1_18 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 149 231 - N_GB1_18 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 149 232 - N_GB1_18 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 149 239 - N_GB1_18 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 149 240 - N_GB1_18 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 149 241 - N_GB1_18 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 149 247 - N_GB1_18 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 149 259 - N_GB1_18 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 149 260 - N_GB1_18 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 149 261 - N_GB1_18 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 149 262 - N_GB1_18 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 149 269 - N_GB1_18 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 149 270 - N_GB1_18 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 149 279 - N_GB1_18 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 149 292 - N_GB1_18 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 149 298 - N_GB1_18 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 149 307 - N_GB1_18 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 149 316 - N_GB1_18 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 149 324 - N_GB1_18 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 149 330 - N_GB1_18 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 149 331 - N_GB1_18 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 149 332 - N_GB1_18 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 149 338 - N_GB1_18 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 149 346 - N_GB1_18 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 149 352 - N_GB1_18 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 149 353 - N_GB1_18 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 149 362 - N_GB1_18 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 149 377 - N_GB1_18 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 149 379 - N_GB1_18 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 149 385 - N_GB1_18 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 149 398 - N_GB1_18 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 149 407 - N_GB1_18 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 149 416 - N_GB1_18 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 149 422 - N_GB1_18 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 149 424 - N_GB1_18 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 149 430 - N_GB1_18 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 149 431 - N_GB1_18 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 149 432 - N_GB1_18 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 149 433 - N_GB1_18 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 149 440 - N_GB1_18 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 149 442 - N_GB1_18 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 149 448 - N_GB1_18 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 149 460 - N_GB1_18 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 149 462 - N_GB1_18 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 149 468 - N_GB1_18 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 149 469 - N_GB1_18 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 149 470 - N_GB1_18 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 149 476 - N_GB1_18 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 149 478 - N_GB1_18 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 149 484 - N_GB1_18 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 149 485 + N_GB1_18 CB_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 149 152 + N_GB1_18 CG2_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 149 154 + N_GB1_18 CB_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 149 160 + N_GB1_18 CG_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 149 161 + N_GB1_18 CB_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 149 170 + N_GB1_18 CB_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 149 176 + N_GB1_18 CG1_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 149 177 + N_GB1_18 CG2_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 149 178 + N_GB1_18 CB_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 149 184 + N_GB1_18 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 149 193 + N_GB1_18 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 149 199 + N_GB1_18 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 149 205 + N_GB1_18 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 149 207 + N_GB1_18 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 149 213 + N_GB1_18 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 149 219 + N_GB1_18 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 149 220 + N_GB1_18 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 149 229 + N_GB1_18 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 149 230 + N_GB1_18 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 149 231 + N_GB1_18 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 149 232 + N_GB1_18 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 149 239 + N_GB1_18 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 149 240 + N_GB1_18 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 149 241 + N_GB1_18 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 149 247 + N_GB1_18 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 149 259 + N_GB1_18 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 149 260 + N_GB1_18 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 149 261 + N_GB1_18 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 149 262 + N_GB1_18 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 149 269 + N_GB1_18 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 149 270 + N_GB1_18 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 149 279 + N_GB1_18 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 149 292 + N_GB1_18 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 149 298 + N_GB1_18 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 149 307 + N_GB1_18 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 149 316 + N_GB1_18 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 149 324 + N_GB1_18 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 149 330 + N_GB1_18 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 149 331 + N_GB1_18 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 149 332 + N_GB1_18 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 149 338 + N_GB1_18 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 149 346 + N_GB1_18 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 149 352 + N_GB1_18 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 149 353 + N_GB1_18 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 149 362 + N_GB1_18 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 149 377 + N_GB1_18 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 149 379 + N_GB1_18 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 149 385 + N_GB1_18 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 149 398 + N_GB1_18 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 149 407 + N_GB1_18 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 149 416 + N_GB1_18 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 149 422 + N_GB1_18 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 149 424 + N_GB1_18 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 149 430 + N_GB1_18 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 149 431 + N_GB1_18 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 149 432 + N_GB1_18 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 149 433 + N_GB1_18 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 149 440 + N_GB1_18 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 149 442 + N_GB1_18 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 149 448 + N_GB1_18 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 149 460 + N_GB1_18 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 149 462 + N_GB1_18 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 149 468 + N_GB1_18 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 149 469 + N_GB1_18 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 149 470 + N_GB1_18 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 149 476 + N_GB1_18 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 149 478 + N_GB1_18 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 149 484 + N_GB1_18 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 149 485 H_GB1_18 H_GB1_18 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 150 150 H_GB1_18 OG1_GB1_18 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 150 153 H_GB1_18 O_GB1_18 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 150 156 @@ -20357,508 +20357,508 @@ CG2_GB1_17 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- H_GB1_18 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 150 488 H_GB1_18 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 150 490 H_GB1_18 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 150 491 - CB_GB1_18 OG1_GB1_18 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 152 153 - CB_GB1_18 C_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 155 + CB_GB1_18 OG1_GB1_18 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 152 153 + CB_GB1_18 C_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 155 CB_GB1_18 O_GB1_18 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 152 156 - CB_GB1_18 N_GB1_19 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 152 157 - CB_GB1_18 CD_GB1_19 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 162 - CB_GB1_18 OE1_GB1_19 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 152 163 - CB_GB1_18 OE2_GB1_19 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 152 164 - CB_GB1_18 C_GB1_19 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 165 + CB_GB1_18 N_GB1_19 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 152 157 + CB_GB1_18 CD_GB1_19 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 162 + CB_GB1_18 OE1_GB1_19 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 152 163 + CB_GB1_18 OE2_GB1_19 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 152 164 + CB_GB1_18 C_GB1_19 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 165 CB_GB1_18 O_GB1_19 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 152 166 - CB_GB1_18 N_GB1_20 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 152 167 - CB_GB1_18 C_GB1_20 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 171 + CB_GB1_18 N_GB1_20 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 152 167 + CB_GB1_18 C_GB1_20 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 171 CB_GB1_18 O_GB1_20 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 152 172 - CB_GB1_18 N_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 152 173 - CB_GB1_18 C_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 179 + CB_GB1_18 N_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 152 173 + CB_GB1_18 C_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 179 CB_GB1_18 O_GB1_21 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 152 180 - CB_GB1_18 N_GB1_22 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 152 181 - CB_GB1_18 CG_GB1_22 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 185 - CB_GB1_18 OD1_GB1_22 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 152 186 - CB_GB1_18 OD2_GB1_22 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 152 187 - CB_GB1_18 C_GB1_22 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 188 + CB_GB1_18 N_GB1_22 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 152 181 + CB_GB1_18 CG_GB1_22 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 185 + CB_GB1_18 OD1_GB1_22 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 152 186 + CB_GB1_18 OD2_GB1_22 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 152 187 + CB_GB1_18 C_GB1_22 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 188 CB_GB1_18 O_GB1_22 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 152 189 - CB_GB1_18 N_GB1_23 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 152 190 - CB_GB1_18 C_GB1_23 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 194 + CB_GB1_18 N_GB1_23 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 152 190 + CB_GB1_18 C_GB1_23 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 194 CB_GB1_18 O_GB1_23 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 152 195 - CB_GB1_18 N_GB1_24 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 152 196 - CB_GB1_18 C_GB1_24 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 200 + CB_GB1_18 N_GB1_24 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 152 196 + CB_GB1_18 C_GB1_24 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 200 CB_GB1_18 O_GB1_24 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 152 201 - CB_GB1_18 N_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 152 202 - CB_GB1_18 OG1_GB1_25 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 152 206 - CB_GB1_18 C_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 208 + CB_GB1_18 N_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 152 202 + CB_GB1_18 OG1_GB1_25 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 152 206 + CB_GB1_18 C_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 208 CB_GB1_18 O_GB1_25 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 152 209 - CB_GB1_18 N_GB1_26 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 152 210 - CB_GB1_18 C_GB1_26 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 214 + CB_GB1_18 N_GB1_26 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 152 210 + CB_GB1_18 C_GB1_26 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 214 CB_GB1_18 O_GB1_26 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 152 215 - CB_GB1_18 N_GB1_27 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 152 216 - CB_GB1_18 CD_GB1_27 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 221 - CB_GB1_18 OE1_GB1_27 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 152 222 - CB_GB1_18 OE2_GB1_27 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 152 223 - CB_GB1_18 C_GB1_27 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 224 + CB_GB1_18 N_GB1_27 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 152 216 + CB_GB1_18 CD_GB1_27 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 221 + CB_GB1_18 OE1_GB1_27 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 152 222 + CB_GB1_18 OE2_GB1_27 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 152 223 + CB_GB1_18 C_GB1_27 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 224 CB_GB1_18 O_GB1_27 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 152 225 - CB_GB1_18 N_GB1_28 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 152 226 - CB_GB1_18 NZ_GB1_28 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 152 233 - CB_GB1_18 C_GB1_28 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 234 + CB_GB1_18 N_GB1_28 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 152 226 + CB_GB1_18 NZ_GB1_28 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 152 233 + CB_GB1_18 C_GB1_28 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 234 CB_GB1_18 O_GB1_28 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 152 235 - CB_GB1_18 N_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 152 236 - CB_GB1_18 C_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 242 + CB_GB1_18 N_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 152 236 + CB_GB1_18 C_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 242 CB_GB1_18 O_GB1_29 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 152 243 - CB_GB1_18 N_GB1_30 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 152 244 - CB_GB1_18 C_GB1_30 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 254 + CB_GB1_18 N_GB1_30 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 152 244 + CB_GB1_18 C_GB1_30 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 254 CB_GB1_18 O_GB1_30 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 152 255 - CB_GB1_18 N_GB1_31 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 152 256 - CB_GB1_18 NZ_GB1_31 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 152 263 - CB_GB1_18 C_GB1_31 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 264 + CB_GB1_18 N_GB1_31 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 152 256 + CB_GB1_18 NZ_GB1_31 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 152 263 + CB_GB1_18 C_GB1_31 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 264 CB_GB1_18 O_GB1_31 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 152 265 - CB_GB1_18 N_GB1_32 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 152 266 - CB_GB1_18 CD_GB1_32 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 271 + CB_GB1_18 N_GB1_32 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 152 266 + CB_GB1_18 CD_GB1_32 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 271 CB_GB1_18 OE1_GB1_32 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 152 272 - CB_GB1_18 NE2_GB1_32 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 152 273 - CB_GB1_18 C_GB1_32 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 274 + CB_GB1_18 NE2_GB1_32 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 152 273 + CB_GB1_18 C_GB1_32 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 274 CB_GB1_18 O_GB1_32 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 152 275 - CB_GB1_18 N_GB1_33 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 152 276 - CB_GB1_18 OH_GB1_33 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 152 286 - CB_GB1_18 C_GB1_33 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 287 + CB_GB1_18 N_GB1_33 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 152 276 + CB_GB1_18 OH_GB1_33 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 152 286 + CB_GB1_18 C_GB1_33 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 287 CB_GB1_18 O_GB1_33 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 152 288 - CB_GB1_18 N_GB1_34 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 152 289 - CB_GB1_18 C_GB1_34 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 293 + CB_GB1_18 N_GB1_34 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 152 289 + CB_GB1_18 C_GB1_34 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 293 CB_GB1_18 O_GB1_34 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 152 294 - CB_GB1_18 N_GB1_35 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 152 295 - CB_GB1_18 CG_GB1_35 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 299 + CB_GB1_18 N_GB1_35 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 152 295 + CB_GB1_18 CG_GB1_35 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 299 CB_GB1_18 OD1_GB1_35 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 152 300 - CB_GB1_18 ND2_GB1_35 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 152 301 - CB_GB1_18 C_GB1_35 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 302 + CB_GB1_18 ND2_GB1_35 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 152 301 + CB_GB1_18 C_GB1_35 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 302 CB_GB1_18 O_GB1_35 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 152 303 - CB_GB1_18 N_GB1_36 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 152 304 - CB_GB1_18 CG_GB1_36 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 308 - CB_GB1_18 OD1_GB1_36 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 152 309 - CB_GB1_18 OD2_GB1_36 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 152 310 - CB_GB1_18 C_GB1_36 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 311 + CB_GB1_18 N_GB1_36 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 152 304 + CB_GB1_18 CG_GB1_36 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 308 + CB_GB1_18 OD1_GB1_36 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 152 309 + CB_GB1_18 OD2_GB1_36 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 152 310 + CB_GB1_18 C_GB1_36 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 311 CB_GB1_18 O_GB1_36 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 152 312 - CB_GB1_18 N_GB1_37 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 152 313 - CB_GB1_18 CG_GB1_37 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 317 + CB_GB1_18 N_GB1_37 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 152 313 + CB_GB1_18 CG_GB1_37 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 317 CB_GB1_18 OD1_GB1_37 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 152 318 - CB_GB1_18 ND2_GB1_37 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 152 319 - CB_GB1_18 C_GB1_37 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 320 + CB_GB1_18 ND2_GB1_37 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 152 319 + CB_GB1_18 C_GB1_37 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 320 CB_GB1_18 O_GB1_37 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 152 321 - CB_GB1_18 N_GB1_38 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 152 322 - CB_GB1_18 C_GB1_38 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 325 + CB_GB1_18 N_GB1_38 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 152 322 + CB_GB1_18 C_GB1_38 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 325 CB_GB1_18 O_GB1_38 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 152 326 - CB_GB1_18 N_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 152 327 - CB_GB1_18 C_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 333 + CB_GB1_18 N_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 152 327 + CB_GB1_18 C_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 333 CB_GB1_18 O_GB1_39 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 152 334 - CB_GB1_18 N_GB1_40 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 152 335 - CB_GB1_18 CG_GB1_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 339 - CB_GB1_18 OD1_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 152 340 - CB_GB1_18 OD2_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 152 341 - CB_GB1_18 C_GB1_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 342 + CB_GB1_18 N_GB1_40 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 152 335 + CB_GB1_18 CG_GB1_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 339 + CB_GB1_18 OD1_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 152 340 + CB_GB1_18 OD2_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 152 341 + CB_GB1_18 C_GB1_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 342 CB_GB1_18 O_GB1_40 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 152 343 - CB_GB1_18 N_GB1_41 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 152 344 - CB_GB1_18 C_GB1_41 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 347 + CB_GB1_18 N_GB1_41 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 152 344 + CB_GB1_18 C_GB1_41 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 347 CB_GB1_18 O_GB1_41 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 152 348 - CB_GB1_18 N_GB1_42 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 152 349 - CB_GB1_18 CD_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 354 - CB_GB1_18 OE1_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 152 355 - CB_GB1_18 OE2_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 152 356 - CB_GB1_18 C_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 357 + CB_GB1_18 N_GB1_42 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 152 349 + CB_GB1_18 CD_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 354 + CB_GB1_18 OE1_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 152 355 + CB_GB1_18 OE2_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 152 356 + CB_GB1_18 C_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 357 CB_GB1_18 O_GB1_42 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 152 358 - CB_GB1_18 N_GB1_43 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 152 359 - CB_GB1_18 NE1_GB1_43 1 0.000000e+00 9.937288e-06 ; 8.853117e-06 -9.937288e-06 1.0 1.0 1.0 1.0 False mg 7 152 366 - CB_GB1_18 C_GB1_43 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 372 + CB_GB1_18 N_GB1_43 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 152 359 + CB_GB1_18 NE1_GB1_43 1 0.000000e+00 9.937231e-06 ; 8.853066e-06 -9.937231e-06 1.0 1.0 1.0 1.0 False mg 7 152 366 + CB_GB1_18 C_GB1_43 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 372 CB_GB1_18 O_GB1_43 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 152 373 - CB_GB1_18 N_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 152 374 - CB_GB1_18 OG1_GB1_44 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 152 378 - CB_GB1_18 C_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 380 + CB_GB1_18 N_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 152 374 + CB_GB1_18 OG1_GB1_44 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 152 378 + CB_GB1_18 C_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 380 CB_GB1_18 O_GB1_44 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 152 381 - CB_GB1_18 N_GB1_45 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 152 382 - CB_GB1_18 OH_GB1_45 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 152 392 - CB_GB1_18 C_GB1_45 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 393 + CB_GB1_18 N_GB1_45 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 152 382 + CB_GB1_18 OH_GB1_45 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 152 392 + CB_GB1_18 C_GB1_45 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 393 CB_GB1_18 O_GB1_45 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 152 394 - CB_GB1_18 N_GB1_46 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 152 395 - CB_GB1_18 CG_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 399 - CB_GB1_18 OD1_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 152 400 - CB_GB1_18 OD2_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 152 401 - CB_GB1_18 C_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 402 + CB_GB1_18 N_GB1_46 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 152 395 + CB_GB1_18 CG_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 399 + CB_GB1_18 OD1_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 152 400 + CB_GB1_18 OD2_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 152 401 + CB_GB1_18 C_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 402 CB_GB1_18 O_GB1_46 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 152 403 - CB_GB1_18 N_GB1_47 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 152 404 - CB_GB1_18 CG_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 408 - CB_GB1_18 OD1_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 152 409 - CB_GB1_18 OD2_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 152 410 - CB_GB1_18 C_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 411 + CB_GB1_18 N_GB1_47 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 152 404 + CB_GB1_18 CG_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 408 + CB_GB1_18 OD1_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 152 409 + CB_GB1_18 OD2_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 152 410 + CB_GB1_18 C_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 411 CB_GB1_18 O_GB1_47 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 152 412 - CB_GB1_18 N_GB1_48 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 152 413 - CB_GB1_18 C_GB1_48 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 417 + CB_GB1_18 N_GB1_48 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 152 413 + CB_GB1_18 C_GB1_48 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 417 CB_GB1_18 O_GB1_48 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 152 418 - CB_GB1_18 N_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 152 419 - CB_GB1_18 OG1_GB1_49 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 152 423 - CB_GB1_18 C_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 425 + CB_GB1_18 N_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 152 419 + CB_GB1_18 OG1_GB1_49 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 152 423 + CB_GB1_18 C_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 425 CB_GB1_18 O_GB1_49 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 152 426 - CB_GB1_18 N_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 152 427 - CB_GB1_18 NZ_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 152 434 - CB_GB1_18 C_GB1_50 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 435 + CB_GB1_18 N_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 152 427 + CB_GB1_18 NZ_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 152 434 + CB_GB1_18 C_GB1_50 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 435 CB_GB1_18 O_GB1_50 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 152 436 - CB_GB1_18 N_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 152 437 - CB_GB1_18 OG1_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 152 441 - CB_GB1_18 C_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 443 + CB_GB1_18 N_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 152 437 + CB_GB1_18 OG1_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 152 441 + CB_GB1_18 C_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 443 CB_GB1_18 O_GB1_51 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 152 444 - CB_GB1_18 N_GB1_52 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 152 445 - CB_GB1_18 C_GB1_52 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 455 + CB_GB1_18 N_GB1_52 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 152 445 + CB_GB1_18 C_GB1_52 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 455 CB_GB1_18 O_GB1_52 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 152 456 - CB_GB1_18 N_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 152 457 - CB_GB1_18 OG1_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 152 461 - CB_GB1_18 C_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 463 + CB_GB1_18 N_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 152 457 + CB_GB1_18 OG1_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 152 461 + CB_GB1_18 C_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 463 CB_GB1_18 O_GB1_53 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 152 464 - CB_GB1_18 N_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 152 465 - CB_GB1_18 C_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 471 + CB_GB1_18 N_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 152 465 + CB_GB1_18 C_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 471 CB_GB1_18 O_GB1_54 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 152 472 - CB_GB1_18 N_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 152 473 - CB_GB1_18 OG1_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 152 477 - CB_GB1_18 C_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 479 + CB_GB1_18 N_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 152 473 + CB_GB1_18 OG1_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 152 477 + CB_GB1_18 C_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 479 CB_GB1_18 O_GB1_55 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 152 480 - CB_GB1_18 N_GB1_56 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 152 481 - CB_GB1_18 CD_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 486 - CB_GB1_18 OE1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 152 487 - CB_GB1_18 OE2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 152 488 - CB_GB1_18 C_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 152 489 - CB_GB1_18 O1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 152 490 - CB_GB1_18 O2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 152 491 -OG1_GB1_18 CG2_GB1_18 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 153 154 + CB_GB1_18 N_GB1_56 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 152 481 + CB_GB1_18 CD_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 486 + CB_GB1_18 OE1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 152 487 + CB_GB1_18 OE2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 152 488 + CB_GB1_18 C_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 152 489 + CB_GB1_18 O1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 152 490 + CB_GB1_18 O2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 152 491 +OG1_GB1_18 CG2_GB1_18 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 153 154 OG1_GB1_18 H_GB1_19 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 153 158 -OG1_GB1_18 CB_GB1_19 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 153 160 -OG1_GB1_18 CG_GB1_19 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 153 161 +OG1_GB1_18 CB_GB1_19 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 153 160 +OG1_GB1_18 CG_GB1_19 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 153 161 OG1_GB1_18 H_GB1_20 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 153 168 -OG1_GB1_18 CB_GB1_20 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 153 170 +OG1_GB1_18 CB_GB1_20 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 153 170 OG1_GB1_18 H_GB1_21 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 153 174 -OG1_GB1_18 CB_GB1_21 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 153 176 -OG1_GB1_18 CG1_GB1_21 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 153 177 -OG1_GB1_18 CG2_GB1_21 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 153 178 +OG1_GB1_18 CB_GB1_21 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 153 176 +OG1_GB1_18 CG1_GB1_21 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 153 177 +OG1_GB1_18 CG2_GB1_21 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 153 178 OG1_GB1_18 H_GB1_22 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 153 182 -OG1_GB1_18 CB_GB1_22 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 153 184 +OG1_GB1_18 CB_GB1_22 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 153 184 OG1_GB1_18 H_GB1_23 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 153 191 -OG1_GB1_18 CB_GB1_23 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 153 193 +OG1_GB1_18 CB_GB1_23 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 153 193 OG1_GB1_18 H_GB1_24 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 153 197 -OG1_GB1_18 CB_GB1_24 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 153 199 +OG1_GB1_18 CB_GB1_24 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 153 199 OG1_GB1_18 H_GB1_25 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 153 203 -OG1_GB1_18 CB_GB1_25 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 153 205 -OG1_GB1_18 CG2_GB1_25 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 153 207 +OG1_GB1_18 CB_GB1_25 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 153 205 +OG1_GB1_18 CG2_GB1_25 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 153 207 OG1_GB1_18 H_GB1_26 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 153 211 -OG1_GB1_18 CB_GB1_26 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 153 213 +OG1_GB1_18 CB_GB1_26 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 153 213 OG1_GB1_18 H_GB1_27 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 153 217 -OG1_GB1_18 CB_GB1_27 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 153 219 -OG1_GB1_18 CG_GB1_27 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 153 220 +OG1_GB1_18 CB_GB1_27 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 153 219 +OG1_GB1_18 CG_GB1_27 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 153 220 OG1_GB1_18 H_GB1_28 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 153 227 -OG1_GB1_18 CB_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 153 229 -OG1_GB1_18 CG_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 153 230 -OG1_GB1_18 CD_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 153 231 -OG1_GB1_18 CE_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 153 232 +OG1_GB1_18 CB_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 153 229 +OG1_GB1_18 CG_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 153 230 +OG1_GB1_18 CD_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 153 231 +OG1_GB1_18 CE_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 153 232 OG1_GB1_18 H_GB1_29 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 153 237 -OG1_GB1_18 CB_GB1_29 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 153 239 -OG1_GB1_18 CG1_GB1_29 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 153 240 -OG1_GB1_18 CG2_GB1_29 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 153 241 +OG1_GB1_18 CB_GB1_29 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 153 239 +OG1_GB1_18 CG1_GB1_29 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 153 240 +OG1_GB1_18 CG2_GB1_29 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 153 241 OG1_GB1_18 H_GB1_30 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 153 245 -OG1_GB1_18 CB_GB1_30 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 153 247 +OG1_GB1_18 CB_GB1_30 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 153 247 OG1_GB1_18 H_GB1_31 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 153 257 -OG1_GB1_18 CB_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 153 259 -OG1_GB1_18 CG_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 153 260 -OG1_GB1_18 CD_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 153 261 -OG1_GB1_18 CE_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 153 262 +OG1_GB1_18 CB_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 153 259 +OG1_GB1_18 CG_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 153 260 +OG1_GB1_18 CD_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 153 261 +OG1_GB1_18 CE_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 153 262 OG1_GB1_18 H_GB1_32 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 153 267 -OG1_GB1_18 CB_GB1_32 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 153 269 -OG1_GB1_18 CG_GB1_32 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 153 270 +OG1_GB1_18 CB_GB1_32 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 153 269 +OG1_GB1_18 CG_GB1_32 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 153 270 OG1_GB1_18 H_GB1_33 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 153 277 -OG1_GB1_18 CB_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 153 279 +OG1_GB1_18 CB_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 153 279 OG1_GB1_18 H_GB1_34 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 153 290 -OG1_GB1_18 CB_GB1_34 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 153 292 +OG1_GB1_18 CB_GB1_34 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 153 292 OG1_GB1_18 H_GB1_35 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 153 296 -OG1_GB1_18 CB_GB1_35 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 153 298 +OG1_GB1_18 CB_GB1_35 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 153 298 OG1_GB1_18 H_GB1_36 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 153 305 -OG1_GB1_18 CB_GB1_36 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 153 307 +OG1_GB1_18 CB_GB1_36 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 153 307 OG1_GB1_18 H_GB1_37 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 153 314 -OG1_GB1_18 CB_GB1_37 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 153 316 +OG1_GB1_18 CB_GB1_37 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 153 316 OG1_GB1_18 H_GB1_38 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 153 323 -OG1_GB1_18 CA_GB1_38 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 153 324 +OG1_GB1_18 CA_GB1_38 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 153 324 OG1_GB1_18 H_GB1_39 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 153 328 -OG1_GB1_18 CB_GB1_39 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 153 330 -OG1_GB1_18 CG1_GB1_39 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 153 331 -OG1_GB1_18 CG2_GB1_39 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 153 332 +OG1_GB1_18 CB_GB1_39 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 153 330 +OG1_GB1_18 CG1_GB1_39 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 153 331 +OG1_GB1_18 CG2_GB1_39 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 153 332 OG1_GB1_18 H_GB1_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 153 336 -OG1_GB1_18 CB_GB1_40 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 153 338 +OG1_GB1_18 CB_GB1_40 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 153 338 OG1_GB1_18 H_GB1_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 153 345 -OG1_GB1_18 CA_GB1_41 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 153 346 +OG1_GB1_18 CA_GB1_41 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 153 346 OG1_GB1_18 H_GB1_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 153 350 -OG1_GB1_18 CB_GB1_42 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 153 352 -OG1_GB1_18 CG_GB1_42 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 153 353 +OG1_GB1_18 CB_GB1_42 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 153 352 +OG1_GB1_18 CG_GB1_42 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 153 353 OG1_GB1_18 H_GB1_43 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 153 360 -OG1_GB1_18 CB_GB1_43 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 153 362 +OG1_GB1_18 CB_GB1_43 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 153 362 OG1_GB1_18 H_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 153 375 -OG1_GB1_18 CB_GB1_44 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 153 377 -OG1_GB1_18 CG2_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 153 379 +OG1_GB1_18 CB_GB1_44 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 153 377 +OG1_GB1_18 CG2_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 153 379 OG1_GB1_18 H_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 153 383 -OG1_GB1_18 CB_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 153 385 +OG1_GB1_18 CB_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 153 385 OG1_GB1_18 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 153 396 -OG1_GB1_18 CB_GB1_46 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 153 398 +OG1_GB1_18 CB_GB1_46 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 153 398 OG1_GB1_18 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 153 405 -OG1_GB1_18 CB_GB1_47 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 153 407 +OG1_GB1_18 CB_GB1_47 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 153 407 OG1_GB1_18 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 153 414 -OG1_GB1_18 CB_GB1_48 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 153 416 +OG1_GB1_18 CB_GB1_48 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 153 416 OG1_GB1_18 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 153 420 -OG1_GB1_18 CB_GB1_49 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 153 422 -OG1_GB1_18 CG2_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 153 424 +OG1_GB1_18 CB_GB1_49 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 153 422 +OG1_GB1_18 CG2_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 153 424 OG1_GB1_18 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 153 428 -OG1_GB1_18 CB_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 153 430 -OG1_GB1_18 CG_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 153 431 -OG1_GB1_18 CD_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 153 432 -OG1_GB1_18 CE_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 153 433 +OG1_GB1_18 CB_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 153 430 +OG1_GB1_18 CG_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 153 431 +OG1_GB1_18 CD_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 153 432 +OG1_GB1_18 CE_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 153 433 OG1_GB1_18 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 153 438 -OG1_GB1_18 CB_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 153 440 -OG1_GB1_18 CG2_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 153 442 +OG1_GB1_18 CB_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 153 440 +OG1_GB1_18 CG2_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 153 442 OG1_GB1_18 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 153 446 -OG1_GB1_18 CB_GB1_52 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 153 448 +OG1_GB1_18 CB_GB1_52 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 153 448 OG1_GB1_18 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 153 458 -OG1_GB1_18 CB_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 153 460 -OG1_GB1_18 CG2_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 153 462 +OG1_GB1_18 CB_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 153 460 +OG1_GB1_18 CG2_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 153 462 OG1_GB1_18 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 153 466 -OG1_GB1_18 CB_GB1_54 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 153 468 -OG1_GB1_18 CG1_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 153 469 -OG1_GB1_18 CG2_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 153 470 +OG1_GB1_18 CB_GB1_54 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 153 468 +OG1_GB1_18 CG1_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 153 469 +OG1_GB1_18 CG2_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 153 470 OG1_GB1_18 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 153 474 -OG1_GB1_18 CB_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 153 476 -OG1_GB1_18 CG2_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 153 478 +OG1_GB1_18 CB_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 153 476 +OG1_GB1_18 CG2_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 153 478 OG1_GB1_18 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 153 482 -OG1_GB1_18 CB_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 153 484 -OG1_GB1_18 CG_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 153 485 -CG2_GB1_18 C_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 155 +OG1_GB1_18 CB_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 153 484 +OG1_GB1_18 CG_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 153 485 +CG2_GB1_18 C_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 155 CG2_GB1_18 O_GB1_18 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 154 156 -CG2_GB1_18 N_GB1_19 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 154 157 -CG2_GB1_18 CD_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 162 +CG2_GB1_18 N_GB1_19 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 154 157 +CG2_GB1_18 CD_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 162 CG2_GB1_18 OE1_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 154 163 CG2_GB1_18 OE2_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 154 164 -CG2_GB1_18 C_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 165 +CG2_GB1_18 C_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 165 CG2_GB1_18 O_GB1_19 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 154 166 -CG2_GB1_18 N_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 154 167 -CG2_GB1_18 C_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 171 +CG2_GB1_18 N_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 154 167 +CG2_GB1_18 C_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 171 CG2_GB1_18 O_GB1_20 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 154 172 -CG2_GB1_18 N_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 154 173 -CG2_GB1_18 C_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 179 +CG2_GB1_18 N_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 154 173 +CG2_GB1_18 C_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 179 CG2_GB1_18 O_GB1_21 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 154 180 -CG2_GB1_18 N_GB1_22 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 154 181 -CG2_GB1_18 CG_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 185 +CG2_GB1_18 N_GB1_22 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 154 181 +CG2_GB1_18 CG_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 185 CG2_GB1_18 OD1_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 154 186 CG2_GB1_18 OD2_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 154 187 -CG2_GB1_18 C_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 188 +CG2_GB1_18 C_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 188 CG2_GB1_18 O_GB1_22 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 154 189 -CG2_GB1_18 N_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 154 190 -CG2_GB1_18 C_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 194 +CG2_GB1_18 N_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 154 190 +CG2_GB1_18 C_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 194 CG2_GB1_18 O_GB1_23 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 154 195 -CG2_GB1_18 N_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 154 196 -CG2_GB1_18 C_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 200 +CG2_GB1_18 N_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 154 196 +CG2_GB1_18 C_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 200 CG2_GB1_18 O_GB1_24 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 154 201 -CG2_GB1_18 N_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 154 202 -CG2_GB1_18 OG1_GB1_25 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 154 206 -CG2_GB1_18 C_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 208 +CG2_GB1_18 N_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 154 202 +CG2_GB1_18 OG1_GB1_25 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 154 206 +CG2_GB1_18 C_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 208 CG2_GB1_18 O_GB1_25 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 154 209 -CG2_GB1_18 N_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 154 210 -CG2_GB1_18 C_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 214 +CG2_GB1_18 N_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 154 210 +CG2_GB1_18 C_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 214 CG2_GB1_18 O_GB1_26 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 154 215 -CG2_GB1_18 N_GB1_27 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 154 216 -CG2_GB1_18 CD_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 221 +CG2_GB1_18 N_GB1_27 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 154 216 +CG2_GB1_18 CD_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 221 CG2_GB1_18 OE1_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 154 222 CG2_GB1_18 OE2_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 154 223 -CG2_GB1_18 C_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 224 +CG2_GB1_18 C_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 224 CG2_GB1_18 O_GB1_27 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 154 225 -CG2_GB1_18 N_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 154 226 -CG2_GB1_18 NZ_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 154 233 -CG2_GB1_18 C_GB1_28 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 234 +CG2_GB1_18 N_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 154 226 +CG2_GB1_18 NZ_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 154 233 +CG2_GB1_18 C_GB1_28 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 234 CG2_GB1_18 O_GB1_28 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 154 235 -CG2_GB1_18 N_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 154 236 -CG2_GB1_18 C_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 242 +CG2_GB1_18 N_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 154 236 +CG2_GB1_18 C_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 242 CG2_GB1_18 O_GB1_29 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 154 243 -CG2_GB1_18 N_GB1_30 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 154 244 -CG2_GB1_18 C_GB1_30 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 254 +CG2_GB1_18 N_GB1_30 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 154 244 +CG2_GB1_18 C_GB1_30 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 254 CG2_GB1_18 O_GB1_30 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 154 255 -CG2_GB1_18 N_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 154 256 -CG2_GB1_18 NZ_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 154 263 -CG2_GB1_18 C_GB1_31 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 264 +CG2_GB1_18 N_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 154 256 +CG2_GB1_18 NZ_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 154 263 +CG2_GB1_18 C_GB1_31 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 264 CG2_GB1_18 O_GB1_31 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 154 265 -CG2_GB1_18 N_GB1_32 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 154 266 -CG2_GB1_18 CD_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 271 +CG2_GB1_18 N_GB1_32 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 154 266 +CG2_GB1_18 CD_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 271 CG2_GB1_18 OE1_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 154 272 -CG2_GB1_18 NE2_GB1_32 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 154 273 -CG2_GB1_18 C_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 274 +CG2_GB1_18 NE2_GB1_32 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 154 273 +CG2_GB1_18 C_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 274 CG2_GB1_18 O_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 154 275 -CG2_GB1_18 N_GB1_33 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 154 276 -CG2_GB1_18 OH_GB1_33 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 154 286 -CG2_GB1_18 C_GB1_33 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 287 +CG2_GB1_18 N_GB1_33 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 154 276 +CG2_GB1_18 OH_GB1_33 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 154 286 +CG2_GB1_18 C_GB1_33 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 287 CG2_GB1_18 O_GB1_33 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 154 288 -CG2_GB1_18 N_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 154 289 -CG2_GB1_18 C_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 293 +CG2_GB1_18 N_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 154 289 +CG2_GB1_18 C_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 293 CG2_GB1_18 O_GB1_34 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 154 294 -CG2_GB1_18 N_GB1_35 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 154 295 -CG2_GB1_18 CG_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 299 +CG2_GB1_18 N_GB1_35 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 154 295 +CG2_GB1_18 CG_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 299 CG2_GB1_18 OD1_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 154 300 -CG2_GB1_18 ND2_GB1_35 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 154 301 -CG2_GB1_18 C_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 302 +CG2_GB1_18 ND2_GB1_35 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 154 301 +CG2_GB1_18 C_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 302 CG2_GB1_18 O_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 154 303 -CG2_GB1_18 N_GB1_36 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 154 304 -CG2_GB1_18 CG_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 308 +CG2_GB1_18 N_GB1_36 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 154 304 +CG2_GB1_18 CG_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 308 CG2_GB1_18 OD1_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 154 309 CG2_GB1_18 OD2_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 154 310 -CG2_GB1_18 C_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 311 +CG2_GB1_18 C_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 311 CG2_GB1_18 O_GB1_36 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 154 312 -CG2_GB1_18 N_GB1_37 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 154 313 -CG2_GB1_18 CG_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 317 +CG2_GB1_18 N_GB1_37 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 154 313 +CG2_GB1_18 CG_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 317 CG2_GB1_18 OD1_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 154 318 -CG2_GB1_18 ND2_GB1_37 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 154 319 -CG2_GB1_18 C_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 320 +CG2_GB1_18 ND2_GB1_37 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 154 319 +CG2_GB1_18 C_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 320 CG2_GB1_18 O_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 154 321 -CG2_GB1_18 N_GB1_38 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 154 322 -CG2_GB1_18 C_GB1_38 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 325 +CG2_GB1_18 N_GB1_38 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 154 322 +CG2_GB1_18 C_GB1_38 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 325 CG2_GB1_18 O_GB1_38 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 154 326 -CG2_GB1_18 N_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 154 327 -CG2_GB1_18 C_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 333 +CG2_GB1_18 N_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 154 327 +CG2_GB1_18 C_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 333 CG2_GB1_18 O_GB1_39 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 154 334 -CG2_GB1_18 N_GB1_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 154 335 -CG2_GB1_18 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 339 +CG2_GB1_18 N_GB1_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 154 335 +CG2_GB1_18 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 339 CG2_GB1_18 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 154 340 CG2_GB1_18 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 154 341 -CG2_GB1_18 C_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 342 +CG2_GB1_18 C_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 342 CG2_GB1_18 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 154 343 -CG2_GB1_18 N_GB1_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 154 344 -CG2_GB1_18 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 347 +CG2_GB1_18 N_GB1_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 154 344 +CG2_GB1_18 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 347 CG2_GB1_18 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 154 348 -CG2_GB1_18 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 154 349 -CG2_GB1_18 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 354 +CG2_GB1_18 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 154 349 +CG2_GB1_18 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 354 CG2_GB1_18 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 154 355 CG2_GB1_18 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 154 356 -CG2_GB1_18 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 357 +CG2_GB1_18 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 357 CG2_GB1_18 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 154 358 -CG2_GB1_18 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 154 359 -CG2_GB1_18 NE1_GB1_43 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.0 1.0 1.0 1.0 False mg 7 154 366 -CG2_GB1_18 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 372 +CG2_GB1_18 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 154 359 +CG2_GB1_18 NE1_GB1_43 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.0 1.0 1.0 1.0 False mg 7 154 366 +CG2_GB1_18 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 372 CG2_GB1_18 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 154 373 -CG2_GB1_18 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 154 374 -CG2_GB1_18 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 154 378 -CG2_GB1_18 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 380 +CG2_GB1_18 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 154 374 +CG2_GB1_18 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 154 378 +CG2_GB1_18 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 380 CG2_GB1_18 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 154 381 -CG2_GB1_18 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 154 382 -CG2_GB1_18 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 154 392 -CG2_GB1_18 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 393 +CG2_GB1_18 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 154 382 +CG2_GB1_18 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 154 392 +CG2_GB1_18 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 393 CG2_GB1_18 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 154 394 -CG2_GB1_18 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 154 395 -CG2_GB1_18 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 399 +CG2_GB1_18 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 154 395 +CG2_GB1_18 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 399 CG2_GB1_18 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 154 400 CG2_GB1_18 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 154 401 -CG2_GB1_18 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 402 +CG2_GB1_18 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 402 CG2_GB1_18 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 154 403 -CG2_GB1_18 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 154 404 -CG2_GB1_18 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 408 +CG2_GB1_18 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 154 404 +CG2_GB1_18 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 408 CG2_GB1_18 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 154 409 CG2_GB1_18 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 154 410 -CG2_GB1_18 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 411 +CG2_GB1_18 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 411 CG2_GB1_18 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 154 412 -CG2_GB1_18 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 154 413 -CG2_GB1_18 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 417 +CG2_GB1_18 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 154 413 +CG2_GB1_18 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 417 CG2_GB1_18 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 154 418 -CG2_GB1_18 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 154 419 -CG2_GB1_18 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 154 423 -CG2_GB1_18 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 425 +CG2_GB1_18 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 154 419 +CG2_GB1_18 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 154 423 +CG2_GB1_18 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 425 CG2_GB1_18 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 154 426 -CG2_GB1_18 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 154 427 -CG2_GB1_18 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 154 434 -CG2_GB1_18 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 435 +CG2_GB1_18 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 154 427 +CG2_GB1_18 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 154 434 +CG2_GB1_18 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 435 CG2_GB1_18 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 154 436 -CG2_GB1_18 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 154 437 -CG2_GB1_18 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 154 441 -CG2_GB1_18 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 443 +CG2_GB1_18 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 154 437 +CG2_GB1_18 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 154 441 +CG2_GB1_18 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 443 CG2_GB1_18 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 154 444 -CG2_GB1_18 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 154 445 -CG2_GB1_18 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 455 +CG2_GB1_18 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 154 445 +CG2_GB1_18 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 455 CG2_GB1_18 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 154 456 -CG2_GB1_18 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 154 457 -CG2_GB1_18 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 154 461 -CG2_GB1_18 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 463 +CG2_GB1_18 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 154 457 +CG2_GB1_18 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 154 461 +CG2_GB1_18 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 463 CG2_GB1_18 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 154 464 -CG2_GB1_18 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 154 465 -CG2_GB1_18 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 471 +CG2_GB1_18 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 154 465 +CG2_GB1_18 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 471 CG2_GB1_18 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 154 472 -CG2_GB1_18 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 154 473 -CG2_GB1_18 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 154 477 -CG2_GB1_18 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 479 +CG2_GB1_18 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 154 473 +CG2_GB1_18 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 154 477 +CG2_GB1_18 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 479 CG2_GB1_18 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 154 480 -CG2_GB1_18 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 154 481 -CG2_GB1_18 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 486 +CG2_GB1_18 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 154 481 +CG2_GB1_18 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 486 CG2_GB1_18 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 154 487 CG2_GB1_18 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 154 488 -CG2_GB1_18 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 154 489 +CG2_GB1_18 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 154 489 CG2_GB1_18 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 154 490 CG2_GB1_18 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 154 491 - C_GB1_18 CB_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 155 160 - C_GB1_18 CG_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 155 161 - C_GB1_18 CB_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 155 170 - C_GB1_18 CB_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 155 176 - C_GB1_18 CG1_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 155 177 - C_GB1_18 CG2_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 155 178 - C_GB1_18 CB_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 155 184 - C_GB1_18 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 155 193 - C_GB1_18 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 155 199 - C_GB1_18 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 155 205 - C_GB1_18 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 155 207 - C_GB1_18 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 155 213 - C_GB1_18 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 155 219 - C_GB1_18 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 155 220 - C_GB1_18 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 155 229 - C_GB1_18 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 155 230 - C_GB1_18 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 155 231 - C_GB1_18 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 155 232 - C_GB1_18 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 155 239 - C_GB1_18 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 155 240 - C_GB1_18 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 155 241 - C_GB1_18 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 155 247 - C_GB1_18 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 155 259 - C_GB1_18 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 155 260 - C_GB1_18 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 155 261 - C_GB1_18 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 155 262 - C_GB1_18 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 155 269 - C_GB1_18 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 155 270 - C_GB1_18 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 155 279 - C_GB1_18 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 155 292 - C_GB1_18 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 155 298 - C_GB1_18 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 155 307 - C_GB1_18 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 155 316 - C_GB1_18 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 155 324 - C_GB1_18 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 155 330 - C_GB1_18 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 155 331 - C_GB1_18 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 155 332 - C_GB1_18 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 155 338 - C_GB1_18 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 155 346 - C_GB1_18 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 155 352 - C_GB1_18 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 155 353 - C_GB1_18 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 155 362 - C_GB1_18 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 155 377 - C_GB1_18 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 155 379 - C_GB1_18 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 155 385 - C_GB1_18 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 155 398 - C_GB1_18 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 155 407 - C_GB1_18 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 155 416 - C_GB1_18 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 155 422 - C_GB1_18 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 155 424 - C_GB1_18 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 155 430 - C_GB1_18 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 155 431 - C_GB1_18 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 155 432 - C_GB1_18 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 155 433 - C_GB1_18 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 155 440 - C_GB1_18 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 155 442 - C_GB1_18 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 155 448 - C_GB1_18 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 155 460 - C_GB1_18 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 155 462 - C_GB1_18 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 155 468 - C_GB1_18 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 155 469 - C_GB1_18 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 155 470 - C_GB1_18 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 155 476 - C_GB1_18 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 155 478 - C_GB1_18 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 155 484 - C_GB1_18 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 155 485 + C_GB1_18 CB_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 155 160 + C_GB1_18 CG_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 155 161 + C_GB1_18 CB_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 155 170 + C_GB1_18 CB_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 155 176 + C_GB1_18 CG1_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 155 177 + C_GB1_18 CG2_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 155 178 + C_GB1_18 CB_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 155 184 + C_GB1_18 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 155 193 + C_GB1_18 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 155 199 + C_GB1_18 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 155 205 + C_GB1_18 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 155 207 + C_GB1_18 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 155 213 + C_GB1_18 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 155 219 + C_GB1_18 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 155 220 + C_GB1_18 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 155 229 + C_GB1_18 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 155 230 + C_GB1_18 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 155 231 + C_GB1_18 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 155 232 + C_GB1_18 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 155 239 + C_GB1_18 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 155 240 + C_GB1_18 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 155 241 + C_GB1_18 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 155 247 + C_GB1_18 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 155 259 + C_GB1_18 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 155 260 + C_GB1_18 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 155 261 + C_GB1_18 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 155 262 + C_GB1_18 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 155 269 + C_GB1_18 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 155 270 + C_GB1_18 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 155 279 + C_GB1_18 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 155 292 + C_GB1_18 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 155 298 + C_GB1_18 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 155 307 + C_GB1_18 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 155 316 + C_GB1_18 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 155 324 + C_GB1_18 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 155 330 + C_GB1_18 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 155 331 + C_GB1_18 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 155 332 + C_GB1_18 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 155 338 + C_GB1_18 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 155 346 + C_GB1_18 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 155 352 + C_GB1_18 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 155 353 + C_GB1_18 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 155 362 + C_GB1_18 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 155 377 + C_GB1_18 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 155 379 + C_GB1_18 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 155 385 + C_GB1_18 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 155 398 + C_GB1_18 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 155 407 + C_GB1_18 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 155 416 + C_GB1_18 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 155 422 + C_GB1_18 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 155 424 + C_GB1_18 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 155 430 + C_GB1_18 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 155 431 + C_GB1_18 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 155 432 + C_GB1_18 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 155 433 + C_GB1_18 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 155 440 + C_GB1_18 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 155 442 + C_GB1_18 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 155 448 + C_GB1_18 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 155 460 + C_GB1_18 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 155 462 + C_GB1_18 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 155 468 + C_GB1_18 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 155 469 + C_GB1_18 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 155 470 + C_GB1_18 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 155 476 + C_GB1_18 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 155 478 + C_GB1_18 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 155 484 + C_GB1_18 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 155 485 O_GB1_18 O_GB1_18 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 156 156 O_GB1_18 H_GB1_19 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 156 158 O_GB1_18 CB_GB1_19 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 156 160 @@ -21024,72 +21024,72 @@ CG2_GB1_18 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- O_GB1_18 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 156 488 O_GB1_18 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 156 490 O_GB1_18 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 156 491 - N_GB1_19 CB_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 157 160 - N_GB1_19 CG_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 157 161 - N_GB1_19 CB_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 157 170 - N_GB1_19 CB_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 157 176 - N_GB1_19 CG1_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 157 177 - N_GB1_19 CG2_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 157 178 - N_GB1_19 CB_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 157 184 - N_GB1_19 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 157 193 - N_GB1_19 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 157 199 - N_GB1_19 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 157 205 - N_GB1_19 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 157 207 - N_GB1_19 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 157 213 - N_GB1_19 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 157 219 - N_GB1_19 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 157 220 - N_GB1_19 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 157 229 - N_GB1_19 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 157 230 - N_GB1_19 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 157 231 - N_GB1_19 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 157 232 - N_GB1_19 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 157 239 - N_GB1_19 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 157 240 - N_GB1_19 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 157 241 - N_GB1_19 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 157 247 - N_GB1_19 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 157 259 - N_GB1_19 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 157 260 - N_GB1_19 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 157 261 - N_GB1_19 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 157 262 - N_GB1_19 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 157 269 - N_GB1_19 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 157 270 - N_GB1_19 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 157 279 - N_GB1_19 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 157 292 - N_GB1_19 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 157 298 - N_GB1_19 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 157 307 - N_GB1_19 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 157 316 - N_GB1_19 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 157 324 - N_GB1_19 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 157 330 - N_GB1_19 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 157 331 - N_GB1_19 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 157 332 - N_GB1_19 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 157 338 - N_GB1_19 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 157 346 - N_GB1_19 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 157 352 - N_GB1_19 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 157 353 - N_GB1_19 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 157 362 - N_GB1_19 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 157 377 - N_GB1_19 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 157 379 - N_GB1_19 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 157 385 - N_GB1_19 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 157 398 - N_GB1_19 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 157 407 - N_GB1_19 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 157 416 - N_GB1_19 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 157 422 - N_GB1_19 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 157 424 - N_GB1_19 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 157 430 - N_GB1_19 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 157 431 - N_GB1_19 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 157 432 - N_GB1_19 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 157 433 - N_GB1_19 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 157 440 - N_GB1_19 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 157 442 - N_GB1_19 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 157 448 - N_GB1_19 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 157 460 - N_GB1_19 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 157 462 - N_GB1_19 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 157 468 - N_GB1_19 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 157 469 - N_GB1_19 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 157 470 - N_GB1_19 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 157 476 - N_GB1_19 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 157 478 - N_GB1_19 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 157 484 - N_GB1_19 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 157 485 + N_GB1_19 CB_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 157 160 + N_GB1_19 CG_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 157 161 + N_GB1_19 CB_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 157 170 + N_GB1_19 CB_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 157 176 + N_GB1_19 CG1_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 157 177 + N_GB1_19 CG2_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 157 178 + N_GB1_19 CB_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 157 184 + N_GB1_19 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 157 193 + N_GB1_19 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 157 199 + N_GB1_19 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 157 205 + N_GB1_19 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 157 207 + N_GB1_19 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 157 213 + N_GB1_19 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 157 219 + N_GB1_19 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 157 220 + N_GB1_19 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 157 229 + N_GB1_19 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 157 230 + N_GB1_19 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 157 231 + N_GB1_19 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 157 232 + N_GB1_19 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 157 239 + N_GB1_19 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 157 240 + N_GB1_19 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 157 241 + N_GB1_19 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 157 247 + N_GB1_19 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 157 259 + N_GB1_19 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 157 260 + N_GB1_19 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 157 261 + N_GB1_19 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 157 262 + N_GB1_19 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 157 269 + N_GB1_19 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 157 270 + N_GB1_19 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 157 279 + N_GB1_19 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 157 292 + N_GB1_19 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 157 298 + N_GB1_19 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 157 307 + N_GB1_19 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 157 316 + N_GB1_19 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 157 324 + N_GB1_19 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 157 330 + N_GB1_19 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 157 331 + N_GB1_19 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 157 332 + N_GB1_19 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 157 338 + N_GB1_19 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 157 346 + N_GB1_19 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 157 352 + N_GB1_19 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 157 353 + N_GB1_19 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 157 362 + N_GB1_19 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 157 377 + N_GB1_19 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 157 379 + N_GB1_19 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 157 385 + N_GB1_19 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 157 398 + N_GB1_19 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 157 407 + N_GB1_19 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 157 416 + N_GB1_19 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 157 422 + N_GB1_19 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 157 424 + N_GB1_19 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 157 430 + N_GB1_19 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 157 431 + N_GB1_19 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 157 432 + N_GB1_19 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 157 433 + N_GB1_19 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 157 440 + N_GB1_19 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 157 442 + N_GB1_19 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 157 448 + N_GB1_19 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 157 460 + N_GB1_19 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 157 462 + N_GB1_19 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 157 468 + N_GB1_19 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 157 469 + N_GB1_19 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 157 470 + N_GB1_19 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 157 476 + N_GB1_19 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 157 478 + N_GB1_19 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 157 484 + N_GB1_19 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 157 485 H_GB1_19 H_GB1_19 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 158 158 H_GB1_19 OE1_GB1_19 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 158 163 H_GB1_19 OE2_GB1_19 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 158 164 @@ -21196,394 +21196,394 @@ CG2_GB1_18 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- H_GB1_19 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 158 488 H_GB1_19 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 158 490 H_GB1_19 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 158 491 - CB_GB1_19 CD_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 160 162 - CB_GB1_19 OE1_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 160 163 - CB_GB1_19 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 160 164 - CB_GB1_19 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 160 165 + CB_GB1_19 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 160 162 + CB_GB1_19 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 160 163 + CB_GB1_19 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 160 164 + CB_GB1_19 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 160 165 CB_GB1_19 O_GB1_19 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 160 166 - CB_GB1_19 N_GB1_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 160 167 - CB_GB1_19 C_GB1_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 160 171 + CB_GB1_19 N_GB1_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 160 167 + CB_GB1_19 C_GB1_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 160 171 CB_GB1_19 O_GB1_20 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 160 172 - CB_GB1_19 N_GB1_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 160 173 - CB_GB1_19 C_GB1_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 160 179 + CB_GB1_19 N_GB1_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 160 173 + CB_GB1_19 C_GB1_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 160 179 CB_GB1_19 O_GB1_21 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 160 180 - CB_GB1_19 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 160 181 - CB_GB1_19 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 160 185 - CB_GB1_19 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 160 186 - CB_GB1_19 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 160 187 - CB_GB1_19 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 160 188 + CB_GB1_19 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 160 181 + CB_GB1_19 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 160 185 + CB_GB1_19 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 160 186 + CB_GB1_19 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 160 187 + CB_GB1_19 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 160 188 CB_GB1_19 O_GB1_22 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 160 189 - CB_GB1_19 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 160 190 - CB_GB1_19 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 160 194 + CB_GB1_19 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 160 190 + CB_GB1_19 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 160 194 CB_GB1_19 O_GB1_23 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 160 195 - CB_GB1_19 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 160 196 - CB_GB1_19 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 160 200 + CB_GB1_19 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 160 196 + CB_GB1_19 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 160 200 CB_GB1_19 O_GB1_24 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 160 201 - CB_GB1_19 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 160 202 - CB_GB1_19 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 160 206 - CB_GB1_19 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 160 208 + CB_GB1_19 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 160 202 + CB_GB1_19 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 160 206 + CB_GB1_19 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 160 208 CB_GB1_19 O_GB1_25 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 160 209 - CB_GB1_19 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 160 210 - CB_GB1_19 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 160 214 + CB_GB1_19 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 160 210 + CB_GB1_19 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 160 214 CB_GB1_19 O_GB1_26 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 160 215 - CB_GB1_19 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 160 216 - CB_GB1_19 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 160 221 - CB_GB1_19 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 160 222 - CB_GB1_19 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 160 223 - CB_GB1_19 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 160 224 + CB_GB1_19 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 160 216 + CB_GB1_19 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 160 221 + CB_GB1_19 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 160 222 + CB_GB1_19 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 160 223 + CB_GB1_19 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 160 224 CB_GB1_19 O_GB1_27 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 160 225 - CB_GB1_19 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 160 226 - CB_GB1_19 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 160 233 - CB_GB1_19 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 160 234 + CB_GB1_19 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 160 226 + CB_GB1_19 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 160 233 + CB_GB1_19 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 160 234 CB_GB1_19 O_GB1_28 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 160 235 - CB_GB1_19 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 160 236 - CB_GB1_19 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 160 242 + CB_GB1_19 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 160 236 + CB_GB1_19 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 160 242 CB_GB1_19 O_GB1_29 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 160 243 - CB_GB1_19 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 160 244 - CB_GB1_19 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 160 254 + CB_GB1_19 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 160 244 + CB_GB1_19 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 160 254 CB_GB1_19 O_GB1_30 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 160 255 - CB_GB1_19 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 160 256 - CB_GB1_19 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 160 263 - CB_GB1_19 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 160 264 + CB_GB1_19 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 160 256 + CB_GB1_19 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 160 263 + CB_GB1_19 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 160 264 CB_GB1_19 O_GB1_31 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 160 265 - CB_GB1_19 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 160 266 - CB_GB1_19 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 160 271 + CB_GB1_19 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 160 266 + CB_GB1_19 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 160 271 CB_GB1_19 OE1_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 160 272 - CB_GB1_19 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 160 273 - CB_GB1_19 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 160 274 + CB_GB1_19 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 160 273 + CB_GB1_19 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 160 274 CB_GB1_19 O_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 160 275 - CB_GB1_19 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 160 276 - CB_GB1_19 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 160 286 - CB_GB1_19 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 160 287 + CB_GB1_19 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 160 276 + CB_GB1_19 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 160 286 + CB_GB1_19 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 160 287 CB_GB1_19 O_GB1_33 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 160 288 - CB_GB1_19 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 160 289 - CB_GB1_19 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 160 293 + CB_GB1_19 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 160 289 + CB_GB1_19 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 160 293 CB_GB1_19 O_GB1_34 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 160 294 - CB_GB1_19 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 160 295 - CB_GB1_19 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 160 299 + CB_GB1_19 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 160 295 + CB_GB1_19 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 160 299 CB_GB1_19 OD1_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 160 300 - CB_GB1_19 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 160 301 - CB_GB1_19 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 160 302 + CB_GB1_19 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 160 301 + CB_GB1_19 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 160 302 CB_GB1_19 O_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 160 303 - CB_GB1_19 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 160 304 - CB_GB1_19 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 160 308 - CB_GB1_19 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 160 309 - CB_GB1_19 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 160 310 - CB_GB1_19 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 160 311 + CB_GB1_19 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 160 304 + CB_GB1_19 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 160 308 + CB_GB1_19 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 160 309 + CB_GB1_19 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 160 310 + CB_GB1_19 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 160 311 CB_GB1_19 O_GB1_36 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 160 312 - CB_GB1_19 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 160 313 - CB_GB1_19 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 160 317 + CB_GB1_19 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 160 313 + CB_GB1_19 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 160 317 CB_GB1_19 OD1_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 160 318 - CB_GB1_19 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 160 319 - CB_GB1_19 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 160 320 + CB_GB1_19 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 160 319 + CB_GB1_19 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 160 320 CB_GB1_19 O_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 160 321 - CB_GB1_19 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 160 322 - CB_GB1_19 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 160 325 + CB_GB1_19 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 160 322 + CB_GB1_19 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 160 325 CB_GB1_19 O_GB1_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 160 326 - CB_GB1_19 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 160 327 - CB_GB1_19 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 160 333 + CB_GB1_19 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 160 327 + CB_GB1_19 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 160 333 CB_GB1_19 O_GB1_39 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 160 334 - CB_GB1_19 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 160 335 - CB_GB1_19 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 160 339 - CB_GB1_19 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 160 340 - CB_GB1_19 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 160 341 - CB_GB1_19 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 160 342 + CB_GB1_19 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 160 335 + CB_GB1_19 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 160 339 + CB_GB1_19 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 160 340 + CB_GB1_19 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 160 341 + CB_GB1_19 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 160 342 CB_GB1_19 O_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 160 343 - CB_GB1_19 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 160 344 - CB_GB1_19 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 160 347 + CB_GB1_19 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 160 344 + CB_GB1_19 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 160 347 CB_GB1_19 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 160 348 - CB_GB1_19 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 160 349 - CB_GB1_19 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 160 354 - CB_GB1_19 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 160 355 - CB_GB1_19 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 160 356 - CB_GB1_19 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 160 357 + CB_GB1_19 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 160 349 + CB_GB1_19 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 160 354 + CB_GB1_19 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 160 355 + CB_GB1_19 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 160 356 + CB_GB1_19 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 160 357 CB_GB1_19 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 160 358 - CB_GB1_19 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 160 359 - CB_GB1_19 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 160 366 - CB_GB1_19 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 160 372 + CB_GB1_19 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 160 359 + CB_GB1_19 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 160 366 + CB_GB1_19 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 160 372 CB_GB1_19 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 160 373 - CB_GB1_19 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 160 374 - CB_GB1_19 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 160 378 - CB_GB1_19 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 160 380 + CB_GB1_19 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 160 374 + CB_GB1_19 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 160 378 + CB_GB1_19 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 160 380 CB_GB1_19 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 160 381 - CB_GB1_19 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 160 382 - CB_GB1_19 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 160 392 - CB_GB1_19 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 160 393 + CB_GB1_19 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 160 382 + CB_GB1_19 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 160 392 + CB_GB1_19 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 160 393 CB_GB1_19 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 160 394 - CB_GB1_19 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 160 395 - CB_GB1_19 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 160 399 - CB_GB1_19 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 160 400 - CB_GB1_19 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 160 401 - CB_GB1_19 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 160 402 + CB_GB1_19 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 160 395 + CB_GB1_19 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 160 399 + CB_GB1_19 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 160 400 + CB_GB1_19 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 160 401 + CB_GB1_19 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 160 402 CB_GB1_19 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 160 403 - CB_GB1_19 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 160 404 - CB_GB1_19 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 160 408 - CB_GB1_19 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 160 409 - CB_GB1_19 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 160 410 - CB_GB1_19 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 160 411 + CB_GB1_19 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 160 404 + CB_GB1_19 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 160 408 + CB_GB1_19 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 160 409 + CB_GB1_19 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 160 410 + CB_GB1_19 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 160 411 CB_GB1_19 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 160 412 - CB_GB1_19 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 160 413 - CB_GB1_19 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 160 417 + CB_GB1_19 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 160 413 + CB_GB1_19 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 160 417 CB_GB1_19 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 160 418 - CB_GB1_19 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 160 419 - CB_GB1_19 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 160 423 - CB_GB1_19 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 160 425 + CB_GB1_19 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 160 419 + CB_GB1_19 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 160 423 + CB_GB1_19 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 160 425 CB_GB1_19 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 160 426 - CB_GB1_19 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 160 427 - CB_GB1_19 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 160 434 - CB_GB1_19 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 160 435 + CB_GB1_19 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 160 427 + CB_GB1_19 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 160 434 + CB_GB1_19 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 160 435 CB_GB1_19 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 160 436 - CB_GB1_19 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 160 437 - CB_GB1_19 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 160 441 - CB_GB1_19 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 160 443 + CB_GB1_19 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 160 437 + CB_GB1_19 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 160 441 + CB_GB1_19 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 160 443 CB_GB1_19 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 160 444 - CB_GB1_19 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 160 445 - CB_GB1_19 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 160 455 + CB_GB1_19 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 160 445 + CB_GB1_19 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 160 455 CB_GB1_19 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 160 456 - CB_GB1_19 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 160 457 - CB_GB1_19 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 160 461 - CB_GB1_19 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 160 463 + CB_GB1_19 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 160 457 + CB_GB1_19 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 160 461 + CB_GB1_19 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 160 463 CB_GB1_19 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 160 464 - CB_GB1_19 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 160 465 - CB_GB1_19 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 160 471 + CB_GB1_19 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 160 465 + CB_GB1_19 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 160 471 CB_GB1_19 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 160 472 - CB_GB1_19 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 160 473 - CB_GB1_19 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 160 477 - CB_GB1_19 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 160 479 + CB_GB1_19 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 160 473 + CB_GB1_19 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 160 477 + CB_GB1_19 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 160 479 CB_GB1_19 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 160 480 - CB_GB1_19 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 160 481 - CB_GB1_19 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 160 486 - CB_GB1_19 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 160 487 - CB_GB1_19 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 160 488 - CB_GB1_19 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 160 489 - CB_GB1_19 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 160 490 - CB_GB1_19 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 160 491 - CG_GB1_19 CD_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 161 162 - CG_GB1_19 OE1_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 161 163 - CG_GB1_19 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 161 164 - CG_GB1_19 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 161 165 + CB_GB1_19 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 160 481 + CB_GB1_19 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 160 486 + CB_GB1_19 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 160 487 + CB_GB1_19 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 160 488 + CB_GB1_19 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 160 489 + CB_GB1_19 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 160 490 + CB_GB1_19 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 160 491 + CG_GB1_19 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 161 162 + CG_GB1_19 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 161 163 + CG_GB1_19 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 161 164 + CG_GB1_19 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 161 165 CG_GB1_19 O_GB1_19 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 161 166 - CG_GB1_19 N_GB1_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 161 167 - CG_GB1_19 C_GB1_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 161 171 + CG_GB1_19 N_GB1_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 161 167 + CG_GB1_19 C_GB1_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 161 171 CG_GB1_19 O_GB1_20 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 161 172 - CG_GB1_19 N_GB1_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 161 173 - CG_GB1_19 C_GB1_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 161 179 + CG_GB1_19 N_GB1_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 161 173 + CG_GB1_19 C_GB1_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 161 179 CG_GB1_19 O_GB1_21 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 161 180 - CG_GB1_19 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 161 181 - CG_GB1_19 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 161 185 - CG_GB1_19 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 161 186 - CG_GB1_19 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 161 187 - CG_GB1_19 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 161 188 + CG_GB1_19 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 161 181 + CG_GB1_19 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 161 185 + CG_GB1_19 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 161 186 + CG_GB1_19 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 161 187 + CG_GB1_19 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 161 188 CG_GB1_19 O_GB1_22 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 161 189 - CG_GB1_19 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 161 190 - CG_GB1_19 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 161 194 + CG_GB1_19 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 161 190 + CG_GB1_19 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 161 194 CG_GB1_19 O_GB1_23 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 161 195 - CG_GB1_19 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 161 196 - CG_GB1_19 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 161 200 + CG_GB1_19 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 161 196 + CG_GB1_19 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 161 200 CG_GB1_19 O_GB1_24 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 161 201 - CG_GB1_19 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 161 202 - CG_GB1_19 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 161 206 - CG_GB1_19 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 161 208 + CG_GB1_19 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 161 202 + CG_GB1_19 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 161 206 + CG_GB1_19 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 161 208 CG_GB1_19 O_GB1_25 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 161 209 - CG_GB1_19 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 161 210 - CG_GB1_19 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 161 214 + CG_GB1_19 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 161 210 + CG_GB1_19 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 161 214 CG_GB1_19 O_GB1_26 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 161 215 - CG_GB1_19 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 161 216 - CG_GB1_19 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 161 221 - CG_GB1_19 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 161 222 - CG_GB1_19 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 161 223 - CG_GB1_19 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 161 224 + CG_GB1_19 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 161 216 + CG_GB1_19 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 161 221 + CG_GB1_19 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 161 222 + CG_GB1_19 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 161 223 + CG_GB1_19 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 161 224 CG_GB1_19 O_GB1_27 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 161 225 - CG_GB1_19 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 161 226 - CG_GB1_19 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 161 233 - CG_GB1_19 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 161 234 + CG_GB1_19 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 161 226 + CG_GB1_19 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 161 233 + CG_GB1_19 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 161 234 CG_GB1_19 O_GB1_28 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 161 235 - CG_GB1_19 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 161 236 - CG_GB1_19 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 161 242 + CG_GB1_19 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 161 236 + CG_GB1_19 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 161 242 CG_GB1_19 O_GB1_29 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 161 243 - CG_GB1_19 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 161 244 - CG_GB1_19 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 161 254 + CG_GB1_19 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 161 244 + CG_GB1_19 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 161 254 CG_GB1_19 O_GB1_30 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 161 255 - CG_GB1_19 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 161 256 - CG_GB1_19 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 161 263 - CG_GB1_19 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 161 264 + CG_GB1_19 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 161 256 + CG_GB1_19 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 161 263 + CG_GB1_19 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 161 264 CG_GB1_19 O_GB1_31 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 161 265 - CG_GB1_19 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 161 266 - CG_GB1_19 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 161 271 + CG_GB1_19 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 161 266 + CG_GB1_19 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 161 271 CG_GB1_19 OE1_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 161 272 - CG_GB1_19 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 161 273 - CG_GB1_19 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 161 274 + CG_GB1_19 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 161 273 + CG_GB1_19 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 161 274 CG_GB1_19 O_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 161 275 - CG_GB1_19 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 161 276 - CG_GB1_19 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 161 286 - CG_GB1_19 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 161 287 + CG_GB1_19 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 161 276 + CG_GB1_19 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 161 286 + CG_GB1_19 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 161 287 CG_GB1_19 O_GB1_33 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 161 288 - CG_GB1_19 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 161 289 - CG_GB1_19 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 161 293 + CG_GB1_19 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 161 289 + CG_GB1_19 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 161 293 CG_GB1_19 O_GB1_34 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 161 294 - CG_GB1_19 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 161 295 - CG_GB1_19 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 161 299 + CG_GB1_19 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 161 295 + CG_GB1_19 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 161 299 CG_GB1_19 OD1_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 161 300 - CG_GB1_19 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 161 301 - CG_GB1_19 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 161 302 + CG_GB1_19 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 161 301 + CG_GB1_19 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 161 302 CG_GB1_19 O_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 161 303 - CG_GB1_19 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 161 304 - CG_GB1_19 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 161 308 - CG_GB1_19 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 161 309 - CG_GB1_19 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 161 310 - CG_GB1_19 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 161 311 + CG_GB1_19 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 161 304 + CG_GB1_19 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 161 308 + CG_GB1_19 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 161 309 + CG_GB1_19 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 161 310 + CG_GB1_19 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 161 311 CG_GB1_19 O_GB1_36 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 161 312 - CG_GB1_19 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 161 313 - CG_GB1_19 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 161 317 + CG_GB1_19 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 161 313 + CG_GB1_19 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 161 317 CG_GB1_19 OD1_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 161 318 - CG_GB1_19 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 161 319 - CG_GB1_19 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 161 320 + CG_GB1_19 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 161 319 + CG_GB1_19 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 161 320 CG_GB1_19 O_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 161 321 - CG_GB1_19 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 161 322 - CG_GB1_19 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 161 325 + CG_GB1_19 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 161 322 + CG_GB1_19 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 161 325 CG_GB1_19 O_GB1_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 161 326 - CG_GB1_19 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 161 327 - CG_GB1_19 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 161 333 + CG_GB1_19 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 161 327 + CG_GB1_19 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 161 333 CG_GB1_19 O_GB1_39 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 161 334 - CG_GB1_19 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 161 335 - CG_GB1_19 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 161 339 - CG_GB1_19 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 161 340 - CG_GB1_19 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 161 341 - CG_GB1_19 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 161 342 + CG_GB1_19 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 161 335 + CG_GB1_19 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 161 339 + CG_GB1_19 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 161 340 + CG_GB1_19 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 161 341 + CG_GB1_19 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 161 342 CG_GB1_19 O_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 161 343 - CG_GB1_19 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 161 344 - CG_GB1_19 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 161 347 + CG_GB1_19 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 161 344 + CG_GB1_19 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 161 347 CG_GB1_19 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 161 348 - CG_GB1_19 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 161 349 - CG_GB1_19 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 161 354 - CG_GB1_19 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 161 355 - CG_GB1_19 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 161 356 - CG_GB1_19 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 161 357 + CG_GB1_19 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 161 349 + CG_GB1_19 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 161 354 + CG_GB1_19 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 161 355 + CG_GB1_19 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 161 356 + CG_GB1_19 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 161 357 CG_GB1_19 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 161 358 - CG_GB1_19 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 161 359 - CG_GB1_19 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 161 366 - CG_GB1_19 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 161 372 + CG_GB1_19 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 161 359 + CG_GB1_19 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 161 366 + CG_GB1_19 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 161 372 CG_GB1_19 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 161 373 - CG_GB1_19 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 161 374 - CG_GB1_19 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 161 378 - CG_GB1_19 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 161 380 + CG_GB1_19 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 161 374 + CG_GB1_19 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 161 378 + CG_GB1_19 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 161 380 CG_GB1_19 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 161 381 - CG_GB1_19 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 161 382 - CG_GB1_19 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 161 392 - CG_GB1_19 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 161 393 + CG_GB1_19 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 161 382 + CG_GB1_19 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 161 392 + CG_GB1_19 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 161 393 CG_GB1_19 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 161 394 - CG_GB1_19 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 161 395 - CG_GB1_19 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 161 399 - CG_GB1_19 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 161 400 - CG_GB1_19 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 161 401 - CG_GB1_19 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 161 402 + CG_GB1_19 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 161 395 + CG_GB1_19 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 161 399 + CG_GB1_19 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 161 400 + CG_GB1_19 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 161 401 + CG_GB1_19 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 161 402 CG_GB1_19 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 161 403 - CG_GB1_19 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 161 404 - CG_GB1_19 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 161 408 - CG_GB1_19 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 161 409 - CG_GB1_19 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 161 410 - CG_GB1_19 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 161 411 + CG_GB1_19 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 161 404 + CG_GB1_19 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 161 408 + CG_GB1_19 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 161 409 + CG_GB1_19 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 161 410 + CG_GB1_19 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 161 411 CG_GB1_19 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 161 412 - CG_GB1_19 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 161 413 - CG_GB1_19 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 161 417 + CG_GB1_19 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 161 413 + CG_GB1_19 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 161 417 CG_GB1_19 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 161 418 - CG_GB1_19 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 161 419 - CG_GB1_19 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 161 423 - CG_GB1_19 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 161 425 + CG_GB1_19 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 161 419 + CG_GB1_19 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 161 423 + CG_GB1_19 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 161 425 CG_GB1_19 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 161 426 - CG_GB1_19 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 161 427 - CG_GB1_19 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 161 434 - CG_GB1_19 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 161 435 + CG_GB1_19 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 161 427 + CG_GB1_19 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 161 434 + CG_GB1_19 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 161 435 CG_GB1_19 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 161 436 - CG_GB1_19 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 161 437 - CG_GB1_19 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 161 441 - CG_GB1_19 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 161 443 + CG_GB1_19 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 161 437 + CG_GB1_19 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 161 441 + CG_GB1_19 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 161 443 CG_GB1_19 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 161 444 - CG_GB1_19 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 161 445 - CG_GB1_19 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 161 455 + CG_GB1_19 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 161 445 + CG_GB1_19 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 161 455 CG_GB1_19 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 161 456 - CG_GB1_19 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 161 457 - CG_GB1_19 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 161 461 - CG_GB1_19 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 161 463 + CG_GB1_19 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 161 457 + CG_GB1_19 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 161 461 + CG_GB1_19 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 161 463 CG_GB1_19 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 161 464 - CG_GB1_19 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 161 465 - CG_GB1_19 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 161 471 + CG_GB1_19 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 161 465 + CG_GB1_19 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 161 471 CG_GB1_19 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 161 472 - CG_GB1_19 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 161 473 - CG_GB1_19 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 161 477 - CG_GB1_19 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 161 479 + CG_GB1_19 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 161 473 + CG_GB1_19 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 161 477 + CG_GB1_19 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 161 479 CG_GB1_19 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 161 480 - CG_GB1_19 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 161 481 - CG_GB1_19 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 161 486 - CG_GB1_19 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 161 487 - CG_GB1_19 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 161 488 - CG_GB1_19 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 161 489 - CG_GB1_19 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 161 490 - CG_GB1_19 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 161 491 - CD_GB1_19 CB_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 162 170 - CD_GB1_19 CB_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 162 176 - CD_GB1_19 CG1_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 162 177 - CD_GB1_19 CG2_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 162 178 - CD_GB1_19 CB_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 162 184 - CD_GB1_19 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 162 193 - CD_GB1_19 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 162 199 - CD_GB1_19 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 162 205 - CD_GB1_19 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 162 207 - CD_GB1_19 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 162 213 - CD_GB1_19 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 162 219 - CD_GB1_19 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 162 220 - CD_GB1_19 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 162 229 - CD_GB1_19 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 162 230 - CD_GB1_19 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 162 231 - CD_GB1_19 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 162 232 - CD_GB1_19 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 162 239 - CD_GB1_19 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 162 240 - CD_GB1_19 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 162 241 - CD_GB1_19 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 162 247 - CD_GB1_19 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 162 259 - CD_GB1_19 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 162 260 - CD_GB1_19 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 162 261 - CD_GB1_19 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 162 262 - CD_GB1_19 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 162 269 - CD_GB1_19 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 162 270 - CD_GB1_19 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 162 279 - CD_GB1_19 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 162 292 - CD_GB1_19 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 162 298 - CD_GB1_19 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 162 307 - CD_GB1_19 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 162 316 - CD_GB1_19 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 162 324 - CD_GB1_19 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 162 330 - CD_GB1_19 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 162 331 - CD_GB1_19 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 162 332 - CD_GB1_19 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 162 338 - CD_GB1_19 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 162 346 - CD_GB1_19 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 162 352 - CD_GB1_19 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 162 353 - CD_GB1_19 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 162 362 - CD_GB1_19 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 162 377 - CD_GB1_19 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 162 379 - CD_GB1_19 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 162 385 - CD_GB1_19 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 162 398 - CD_GB1_19 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 162 407 - CD_GB1_19 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 162 416 - CD_GB1_19 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 162 422 - CD_GB1_19 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 162 424 - CD_GB1_19 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 162 430 - CD_GB1_19 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 162 431 - CD_GB1_19 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 162 432 - CD_GB1_19 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 162 433 - CD_GB1_19 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 162 440 - CD_GB1_19 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 162 442 - CD_GB1_19 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 162 448 - CD_GB1_19 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 162 460 - CD_GB1_19 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 162 462 - CD_GB1_19 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 162 468 - CD_GB1_19 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 162 469 - CD_GB1_19 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 162 470 - CD_GB1_19 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 162 476 - CD_GB1_19 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 162 478 - CD_GB1_19 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 162 484 - CD_GB1_19 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 162 485 + CG_GB1_19 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 161 481 + CG_GB1_19 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 161 486 + CG_GB1_19 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 161 487 + CG_GB1_19 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 161 488 + CG_GB1_19 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 161 489 + CG_GB1_19 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 161 490 + CG_GB1_19 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 161 491 + CD_GB1_19 CB_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 162 170 + CD_GB1_19 CB_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 162 176 + CD_GB1_19 CG1_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 162 177 + CD_GB1_19 CG2_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 162 178 + CD_GB1_19 CB_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 162 184 + CD_GB1_19 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 162 193 + CD_GB1_19 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 162 199 + CD_GB1_19 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 162 205 + CD_GB1_19 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 162 207 + CD_GB1_19 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 162 213 + CD_GB1_19 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 162 219 + CD_GB1_19 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 162 220 + CD_GB1_19 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 162 229 + CD_GB1_19 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 162 230 + CD_GB1_19 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 162 231 + CD_GB1_19 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 162 232 + CD_GB1_19 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 162 239 + CD_GB1_19 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 162 240 + CD_GB1_19 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 162 241 + CD_GB1_19 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 162 247 + CD_GB1_19 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 162 259 + CD_GB1_19 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 162 260 + CD_GB1_19 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 162 261 + CD_GB1_19 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 162 262 + CD_GB1_19 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 162 269 + CD_GB1_19 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 162 270 + CD_GB1_19 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 162 279 + CD_GB1_19 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 162 292 + CD_GB1_19 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 162 298 + CD_GB1_19 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 162 307 + CD_GB1_19 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 162 316 + CD_GB1_19 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 162 324 + CD_GB1_19 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 162 330 + CD_GB1_19 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 162 331 + CD_GB1_19 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 162 332 + CD_GB1_19 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 162 338 + CD_GB1_19 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 162 346 + CD_GB1_19 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 162 352 + CD_GB1_19 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 162 353 + CD_GB1_19 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 162 362 + CD_GB1_19 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 162 377 + CD_GB1_19 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 162 379 + CD_GB1_19 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 162 385 + CD_GB1_19 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 162 398 + CD_GB1_19 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 162 407 + CD_GB1_19 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 162 416 + CD_GB1_19 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 162 422 + CD_GB1_19 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 162 424 + CD_GB1_19 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 162 430 + CD_GB1_19 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 162 431 + CD_GB1_19 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 162 432 + CD_GB1_19 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 162 433 + CD_GB1_19 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 162 440 + CD_GB1_19 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 162 442 + CD_GB1_19 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 162 448 + CD_GB1_19 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 162 460 + CD_GB1_19 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 162 462 + CD_GB1_19 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 162 468 + CD_GB1_19 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 162 469 + CD_GB1_19 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 162 470 + CD_GB1_19 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 162 476 + CD_GB1_19 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 162 478 + CD_GB1_19 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 162 484 + CD_GB1_19 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 162 485 OE1_GB1_19 OE1_GB1_19 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 163 OE1_GB1_19 OE2_GB1_19 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 164 OE1_GB1_19 O_GB1_19 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 166 @@ -21591,12 +21591,12 @@ OE1_GB1_19 H_GB1_20 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e- OE1_GB1_19 CB_GB1_20 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 163 170 OE1_GB1_19 O_GB1_20 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 172 OE1_GB1_19 H_GB1_21 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 163 174 -OE1_GB1_19 CB_GB1_21 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 163 176 +OE1_GB1_19 CB_GB1_21 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 163 176 OE1_GB1_19 CG1_GB1_21 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 163 177 OE1_GB1_19 CG2_GB1_21 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 163 178 OE1_GB1_19 O_GB1_21 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 180 OE1_GB1_19 H_GB1_22 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 163 182 -OE1_GB1_19 CB_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 163 184 +OE1_GB1_19 CB_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 163 184 OE1_GB1_19 OD1_GB1_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 186 OE1_GB1_19 OD2_GB1_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 187 OE1_GB1_19 O_GB1_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 189 @@ -21607,101 +21607,101 @@ OE1_GB1_19 H_GB1_24 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e- OE1_GB1_19 CB_GB1_24 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 163 199 OE1_GB1_19 O_GB1_24 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 201 OE1_GB1_19 H_GB1_25 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 163 203 -OE1_GB1_19 CB_GB1_25 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 163 205 +OE1_GB1_19 CB_GB1_25 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 163 205 OE1_GB1_19 CG2_GB1_25 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 163 207 OE1_GB1_19 O_GB1_25 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 209 OE1_GB1_19 H_GB1_26 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 163 211 OE1_GB1_19 CB_GB1_26 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 163 213 OE1_GB1_19 O_GB1_26 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 215 OE1_GB1_19 H_GB1_27 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 163 217 -OE1_GB1_19 CB_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 163 219 -OE1_GB1_19 CG_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 163 220 +OE1_GB1_19 CB_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 163 219 +OE1_GB1_19 CG_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 163 220 OE1_GB1_19 OE1_GB1_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 222 OE1_GB1_19 OE2_GB1_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 223 OE1_GB1_19 O_GB1_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 225 OE1_GB1_19 H_GB1_28 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 163 227 -OE1_GB1_19 CB_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 163 229 -OE1_GB1_19 CG_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 163 230 -OE1_GB1_19 CD_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 163 231 -OE1_GB1_19 CE_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 163 232 +OE1_GB1_19 CB_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 163 229 +OE1_GB1_19 CG_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 163 230 +OE1_GB1_19 CD_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 163 231 +OE1_GB1_19 CE_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 163 232 OE1_GB1_19 O_GB1_28 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 235 OE1_GB1_19 H_GB1_29 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 163 237 -OE1_GB1_19 CB_GB1_29 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 163 239 +OE1_GB1_19 CB_GB1_29 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 163 239 OE1_GB1_19 CG1_GB1_29 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 163 240 OE1_GB1_19 CG2_GB1_29 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 163 241 OE1_GB1_19 O_GB1_29 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 243 OE1_GB1_19 H_GB1_30 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 163 245 -OE1_GB1_19 CB_GB1_30 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 163 247 +OE1_GB1_19 CB_GB1_30 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 163 247 OE1_GB1_19 O_GB1_30 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 255 OE1_GB1_19 H_GB1_31 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 163 257 -OE1_GB1_19 CB_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 163 259 -OE1_GB1_19 CG_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 163 260 -OE1_GB1_19 CD_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 163 261 -OE1_GB1_19 CE_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 163 262 +OE1_GB1_19 CB_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 163 259 +OE1_GB1_19 CG_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 163 260 +OE1_GB1_19 CD_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 163 261 +OE1_GB1_19 CE_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 163 262 OE1_GB1_19 O_GB1_31 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 265 OE1_GB1_19 H_GB1_32 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 163 267 -OE1_GB1_19 CB_GB1_32 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 163 269 -OE1_GB1_19 CG_GB1_32 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 163 270 +OE1_GB1_19 CB_GB1_32 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 163 269 +OE1_GB1_19 CG_GB1_32 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 163 270 OE1_GB1_19 OE1_GB1_32 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 272 OE1_GB1_19 O_GB1_32 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 275 OE1_GB1_19 H_GB1_33 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 163 277 -OE1_GB1_19 CB_GB1_33 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 163 279 +OE1_GB1_19 CB_GB1_33 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 163 279 OE1_GB1_19 O_GB1_33 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 288 OE1_GB1_19 H_GB1_34 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 163 290 OE1_GB1_19 CB_GB1_34 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 163 292 OE1_GB1_19 O_GB1_34 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 294 OE1_GB1_19 H_GB1_35 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 163 296 -OE1_GB1_19 CB_GB1_35 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 163 298 +OE1_GB1_19 CB_GB1_35 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 163 298 OE1_GB1_19 OD1_GB1_35 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 300 OE1_GB1_19 O_GB1_35 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 303 OE1_GB1_19 H_GB1_36 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 163 305 -OE1_GB1_19 CB_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 163 307 +OE1_GB1_19 CB_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 163 307 OE1_GB1_19 OD1_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 309 OE1_GB1_19 OD2_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 310 OE1_GB1_19 O_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 312 OE1_GB1_19 H_GB1_37 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 163 314 -OE1_GB1_19 CB_GB1_37 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 163 316 +OE1_GB1_19 CB_GB1_37 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 163 316 OE1_GB1_19 OD1_GB1_37 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 318 OE1_GB1_19 O_GB1_37 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 321 OE1_GB1_19 H_GB1_38 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 163 323 -OE1_GB1_19 CA_GB1_38 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 163 324 +OE1_GB1_19 CA_GB1_38 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 163 324 OE1_GB1_19 O_GB1_38 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 326 OE1_GB1_19 H_GB1_39 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 163 328 -OE1_GB1_19 CB_GB1_39 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 163 330 +OE1_GB1_19 CB_GB1_39 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 163 330 OE1_GB1_19 CG1_GB1_39 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 163 331 OE1_GB1_19 CG2_GB1_39 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 163 332 OE1_GB1_19 O_GB1_39 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 334 OE1_GB1_19 H_GB1_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 163 336 -OE1_GB1_19 CB_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 163 338 +OE1_GB1_19 CB_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 163 338 OE1_GB1_19 OD1_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 340 OE1_GB1_19 OD2_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 341 OE1_GB1_19 O_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 343 OE1_GB1_19 H_GB1_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 163 345 -OE1_GB1_19 CA_GB1_41 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 163 346 +OE1_GB1_19 CA_GB1_41 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 163 346 OE1_GB1_19 O_GB1_41 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 348 OE1_GB1_19 H_GB1_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 163 350 -OE1_GB1_19 CB_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 163 352 -OE1_GB1_19 CG_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 163 353 +OE1_GB1_19 CB_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 163 352 +OE1_GB1_19 CG_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 163 353 OE1_GB1_19 OE1_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 355 OE1_GB1_19 OE2_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 356 OE1_GB1_19 O_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 358 OE1_GB1_19 H_GB1_43 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 163 360 -OE1_GB1_19 CB_GB1_43 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 163 362 +OE1_GB1_19 CB_GB1_43 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 163 362 OE1_GB1_19 O_GB1_43 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 373 OE1_GB1_19 H_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 163 375 -OE1_GB1_19 CB_GB1_44 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 163 377 +OE1_GB1_19 CB_GB1_44 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 163 377 OE1_GB1_19 CG2_GB1_44 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 163 379 OE1_GB1_19 O_GB1_44 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 381 OE1_GB1_19 H_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 163 383 -OE1_GB1_19 CB_GB1_45 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 163 385 +OE1_GB1_19 CB_GB1_45 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 163 385 OE1_GB1_19 O_GB1_45 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 394 OE1_GB1_19 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 163 396 -OE1_GB1_19 CB_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 163 398 +OE1_GB1_19 CB_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 163 398 OE1_GB1_19 OD1_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 400 OE1_GB1_19 OD2_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 401 OE1_GB1_19 O_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 403 OE1_GB1_19 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 163 405 -OE1_GB1_19 CB_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 163 407 +OE1_GB1_19 CB_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 163 407 OE1_GB1_19 OD1_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 409 OE1_GB1_19 OD2_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 410 OE1_GB1_19 O_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 412 @@ -21709,38 +21709,38 @@ OE1_GB1_19 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e- OE1_GB1_19 CB_GB1_48 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 163 416 OE1_GB1_19 O_GB1_48 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 418 OE1_GB1_19 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 163 420 -OE1_GB1_19 CB_GB1_49 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 163 422 +OE1_GB1_19 CB_GB1_49 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 163 422 OE1_GB1_19 CG2_GB1_49 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 163 424 OE1_GB1_19 O_GB1_49 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 426 OE1_GB1_19 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 163 428 -OE1_GB1_19 CB_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 163 430 -OE1_GB1_19 CG_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 163 431 -OE1_GB1_19 CD_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 163 432 -OE1_GB1_19 CE_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 163 433 +OE1_GB1_19 CB_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 163 430 +OE1_GB1_19 CG_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 163 431 +OE1_GB1_19 CD_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 163 432 +OE1_GB1_19 CE_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 163 433 OE1_GB1_19 O_GB1_50 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 436 OE1_GB1_19 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 163 438 -OE1_GB1_19 CB_GB1_51 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 163 440 +OE1_GB1_19 CB_GB1_51 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 163 440 OE1_GB1_19 CG2_GB1_51 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 163 442 OE1_GB1_19 O_GB1_51 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 444 OE1_GB1_19 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 163 446 -OE1_GB1_19 CB_GB1_52 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 163 448 +OE1_GB1_19 CB_GB1_52 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 163 448 OE1_GB1_19 O_GB1_52 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 456 OE1_GB1_19 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 163 458 -OE1_GB1_19 CB_GB1_53 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 163 460 +OE1_GB1_19 CB_GB1_53 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 163 460 OE1_GB1_19 CG2_GB1_53 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 163 462 OE1_GB1_19 O_GB1_53 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 464 OE1_GB1_19 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 163 466 -OE1_GB1_19 CB_GB1_54 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 163 468 +OE1_GB1_19 CB_GB1_54 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 163 468 OE1_GB1_19 CG1_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 163 469 OE1_GB1_19 CG2_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 163 470 OE1_GB1_19 O_GB1_54 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 472 OE1_GB1_19 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 163 474 -OE1_GB1_19 CB_GB1_55 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 163 476 +OE1_GB1_19 CB_GB1_55 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 163 476 OE1_GB1_19 CG2_GB1_55 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 163 478 OE1_GB1_19 O_GB1_55 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 480 OE1_GB1_19 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 163 482 -OE1_GB1_19 CB_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 163 484 -OE1_GB1_19 CG_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 163 485 +OE1_GB1_19 CB_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 163 484 +OE1_GB1_19 CG_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 163 485 OE1_GB1_19 OE1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 487 OE1_GB1_19 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 488 OE1_GB1_19 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 163 490 @@ -21751,12 +21751,12 @@ OE2_GB1_19 H_GB1_20 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e- OE2_GB1_19 CB_GB1_20 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 164 170 OE2_GB1_19 O_GB1_20 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 172 OE2_GB1_19 H_GB1_21 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 164 174 -OE2_GB1_19 CB_GB1_21 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 164 176 +OE2_GB1_19 CB_GB1_21 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 164 176 OE2_GB1_19 CG1_GB1_21 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 164 177 OE2_GB1_19 CG2_GB1_21 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 164 178 OE2_GB1_19 O_GB1_21 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 180 OE2_GB1_19 H_GB1_22 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 164 182 -OE2_GB1_19 CB_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 164 184 +OE2_GB1_19 CB_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 164 184 OE2_GB1_19 OD1_GB1_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 186 OE2_GB1_19 OD2_GB1_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 187 OE2_GB1_19 O_GB1_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 189 @@ -21767,101 +21767,101 @@ OE2_GB1_19 H_GB1_24 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e- OE2_GB1_19 CB_GB1_24 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 164 199 OE2_GB1_19 O_GB1_24 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 201 OE2_GB1_19 H_GB1_25 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 164 203 -OE2_GB1_19 CB_GB1_25 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 164 205 +OE2_GB1_19 CB_GB1_25 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 164 205 OE2_GB1_19 CG2_GB1_25 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 164 207 OE2_GB1_19 O_GB1_25 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 209 OE2_GB1_19 H_GB1_26 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 164 211 OE2_GB1_19 CB_GB1_26 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 164 213 OE2_GB1_19 O_GB1_26 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 215 OE2_GB1_19 H_GB1_27 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 164 217 -OE2_GB1_19 CB_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 164 219 -OE2_GB1_19 CG_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 164 220 +OE2_GB1_19 CB_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 164 219 +OE2_GB1_19 CG_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 164 220 OE2_GB1_19 OE1_GB1_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 222 OE2_GB1_19 OE2_GB1_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 223 OE2_GB1_19 O_GB1_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 225 OE2_GB1_19 H_GB1_28 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 164 227 -OE2_GB1_19 CB_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 164 229 -OE2_GB1_19 CG_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 164 230 -OE2_GB1_19 CD_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 164 231 -OE2_GB1_19 CE_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 164 232 +OE2_GB1_19 CB_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 164 229 +OE2_GB1_19 CG_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 164 230 +OE2_GB1_19 CD_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 164 231 +OE2_GB1_19 CE_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 164 232 OE2_GB1_19 O_GB1_28 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 235 OE2_GB1_19 H_GB1_29 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 164 237 -OE2_GB1_19 CB_GB1_29 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 164 239 +OE2_GB1_19 CB_GB1_29 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 164 239 OE2_GB1_19 CG1_GB1_29 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 164 240 OE2_GB1_19 CG2_GB1_29 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 164 241 OE2_GB1_19 O_GB1_29 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 243 OE2_GB1_19 H_GB1_30 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 164 245 -OE2_GB1_19 CB_GB1_30 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 164 247 +OE2_GB1_19 CB_GB1_30 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 164 247 OE2_GB1_19 O_GB1_30 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 255 OE2_GB1_19 H_GB1_31 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 164 257 -OE2_GB1_19 CB_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 164 259 -OE2_GB1_19 CG_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 164 260 -OE2_GB1_19 CD_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 164 261 -OE2_GB1_19 CE_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 164 262 +OE2_GB1_19 CB_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 164 259 +OE2_GB1_19 CG_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 164 260 +OE2_GB1_19 CD_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 164 261 +OE2_GB1_19 CE_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 164 262 OE2_GB1_19 O_GB1_31 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 265 OE2_GB1_19 H_GB1_32 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 164 267 -OE2_GB1_19 CB_GB1_32 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 164 269 -OE2_GB1_19 CG_GB1_32 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 164 270 +OE2_GB1_19 CB_GB1_32 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 164 269 +OE2_GB1_19 CG_GB1_32 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 164 270 OE2_GB1_19 OE1_GB1_32 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 272 OE2_GB1_19 O_GB1_32 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 275 OE2_GB1_19 H_GB1_33 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 164 277 -OE2_GB1_19 CB_GB1_33 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 164 279 +OE2_GB1_19 CB_GB1_33 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 164 279 OE2_GB1_19 O_GB1_33 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 288 OE2_GB1_19 H_GB1_34 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 164 290 OE2_GB1_19 CB_GB1_34 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 164 292 OE2_GB1_19 O_GB1_34 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 294 OE2_GB1_19 H_GB1_35 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 164 296 -OE2_GB1_19 CB_GB1_35 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 164 298 +OE2_GB1_19 CB_GB1_35 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 164 298 OE2_GB1_19 OD1_GB1_35 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 300 OE2_GB1_19 O_GB1_35 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 303 OE2_GB1_19 H_GB1_36 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 164 305 -OE2_GB1_19 CB_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 164 307 +OE2_GB1_19 CB_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 164 307 OE2_GB1_19 OD1_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 309 OE2_GB1_19 OD2_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 310 OE2_GB1_19 O_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 312 OE2_GB1_19 H_GB1_37 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 164 314 -OE2_GB1_19 CB_GB1_37 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 164 316 +OE2_GB1_19 CB_GB1_37 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 164 316 OE2_GB1_19 OD1_GB1_37 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 318 OE2_GB1_19 O_GB1_37 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 321 OE2_GB1_19 H_GB1_38 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 164 323 -OE2_GB1_19 CA_GB1_38 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 164 324 +OE2_GB1_19 CA_GB1_38 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 164 324 OE2_GB1_19 O_GB1_38 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 326 OE2_GB1_19 H_GB1_39 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 164 328 -OE2_GB1_19 CB_GB1_39 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 164 330 +OE2_GB1_19 CB_GB1_39 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 164 330 OE2_GB1_19 CG1_GB1_39 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 164 331 OE2_GB1_19 CG2_GB1_39 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 164 332 OE2_GB1_19 O_GB1_39 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 334 OE2_GB1_19 H_GB1_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 164 336 -OE2_GB1_19 CB_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 164 338 +OE2_GB1_19 CB_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 164 338 OE2_GB1_19 OD1_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 340 OE2_GB1_19 OD2_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 341 OE2_GB1_19 O_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 343 OE2_GB1_19 H_GB1_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 164 345 -OE2_GB1_19 CA_GB1_41 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 164 346 +OE2_GB1_19 CA_GB1_41 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 164 346 OE2_GB1_19 O_GB1_41 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 348 OE2_GB1_19 H_GB1_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 164 350 -OE2_GB1_19 CB_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 164 352 -OE2_GB1_19 CG_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 164 353 +OE2_GB1_19 CB_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 164 352 +OE2_GB1_19 CG_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 164 353 OE2_GB1_19 OE1_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 355 OE2_GB1_19 OE2_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 356 OE2_GB1_19 O_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 358 OE2_GB1_19 H_GB1_43 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 164 360 -OE2_GB1_19 CB_GB1_43 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 164 362 +OE2_GB1_19 CB_GB1_43 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 164 362 OE2_GB1_19 O_GB1_43 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 373 OE2_GB1_19 H_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 164 375 -OE2_GB1_19 CB_GB1_44 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 164 377 +OE2_GB1_19 CB_GB1_44 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 164 377 OE2_GB1_19 CG2_GB1_44 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 164 379 OE2_GB1_19 O_GB1_44 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 381 OE2_GB1_19 H_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 164 383 -OE2_GB1_19 CB_GB1_45 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 164 385 +OE2_GB1_19 CB_GB1_45 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 164 385 OE2_GB1_19 O_GB1_45 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 394 OE2_GB1_19 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 164 396 -OE2_GB1_19 CB_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 164 398 +OE2_GB1_19 CB_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 164 398 OE2_GB1_19 OD1_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 400 OE2_GB1_19 OD2_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 401 OE2_GB1_19 O_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 403 OE2_GB1_19 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 164 405 -OE2_GB1_19 CB_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 164 407 +OE2_GB1_19 CB_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 164 407 OE2_GB1_19 OD1_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 409 OE2_GB1_19 OD2_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 410 OE2_GB1_19 O_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 412 @@ -21869,106 +21869,106 @@ OE2_GB1_19 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e- OE2_GB1_19 CB_GB1_48 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 164 416 OE2_GB1_19 O_GB1_48 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 418 OE2_GB1_19 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 164 420 -OE2_GB1_19 CB_GB1_49 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 164 422 +OE2_GB1_19 CB_GB1_49 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 164 422 OE2_GB1_19 CG2_GB1_49 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 164 424 OE2_GB1_19 O_GB1_49 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 426 OE2_GB1_19 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 164 428 -OE2_GB1_19 CB_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 164 430 -OE2_GB1_19 CG_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 164 431 -OE2_GB1_19 CD_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 164 432 -OE2_GB1_19 CE_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 164 433 +OE2_GB1_19 CB_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 164 430 +OE2_GB1_19 CG_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 164 431 +OE2_GB1_19 CD_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 164 432 +OE2_GB1_19 CE_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 164 433 OE2_GB1_19 O_GB1_50 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 436 OE2_GB1_19 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 164 438 -OE2_GB1_19 CB_GB1_51 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 164 440 +OE2_GB1_19 CB_GB1_51 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 164 440 OE2_GB1_19 CG2_GB1_51 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 164 442 OE2_GB1_19 O_GB1_51 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 444 OE2_GB1_19 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 164 446 -OE2_GB1_19 CB_GB1_52 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 164 448 +OE2_GB1_19 CB_GB1_52 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 164 448 OE2_GB1_19 O_GB1_52 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 456 OE2_GB1_19 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 164 458 -OE2_GB1_19 CB_GB1_53 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 164 460 +OE2_GB1_19 CB_GB1_53 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 164 460 OE2_GB1_19 CG2_GB1_53 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 164 462 OE2_GB1_19 O_GB1_53 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 464 OE2_GB1_19 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 164 466 -OE2_GB1_19 CB_GB1_54 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 164 468 +OE2_GB1_19 CB_GB1_54 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 164 468 OE2_GB1_19 CG1_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 164 469 OE2_GB1_19 CG2_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 164 470 OE2_GB1_19 O_GB1_54 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 472 OE2_GB1_19 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 164 474 -OE2_GB1_19 CB_GB1_55 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 164 476 +OE2_GB1_19 CB_GB1_55 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 164 476 OE2_GB1_19 CG2_GB1_55 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 164 478 OE2_GB1_19 O_GB1_55 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 480 OE2_GB1_19 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 164 482 -OE2_GB1_19 CB_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 164 484 -OE2_GB1_19 CG_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 164 485 +OE2_GB1_19 CB_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 164 484 +OE2_GB1_19 CG_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 164 485 OE2_GB1_19 OE1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 487 OE2_GB1_19 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 488 OE2_GB1_19 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 490 OE2_GB1_19 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 164 491 - C_GB1_19 CB_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 165 170 - C_GB1_19 CB_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 165 176 - C_GB1_19 CG1_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 165 177 - C_GB1_19 CG2_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 165 178 - C_GB1_19 CB_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 165 184 - C_GB1_19 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 165 193 - C_GB1_19 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 165 199 - C_GB1_19 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 165 205 - C_GB1_19 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 165 207 - C_GB1_19 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 165 213 - C_GB1_19 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 165 219 - C_GB1_19 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 165 220 - C_GB1_19 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 165 229 - C_GB1_19 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 165 230 - C_GB1_19 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 165 231 - C_GB1_19 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 165 232 - C_GB1_19 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 165 239 - C_GB1_19 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 165 240 - C_GB1_19 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 165 241 - C_GB1_19 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 165 247 - C_GB1_19 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 165 259 - C_GB1_19 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 165 260 - C_GB1_19 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 165 261 - C_GB1_19 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 165 262 - C_GB1_19 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 165 269 - C_GB1_19 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 165 270 - C_GB1_19 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 165 279 - C_GB1_19 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 165 292 - C_GB1_19 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 165 298 - C_GB1_19 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 165 307 - C_GB1_19 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 165 316 - C_GB1_19 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 165 324 - C_GB1_19 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 165 330 - C_GB1_19 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 165 331 - C_GB1_19 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 165 332 - C_GB1_19 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 165 338 - C_GB1_19 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 165 346 - C_GB1_19 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 165 352 - C_GB1_19 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 165 353 - C_GB1_19 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 165 362 - C_GB1_19 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 165 377 - C_GB1_19 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 165 379 - C_GB1_19 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 165 385 - C_GB1_19 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 165 398 - C_GB1_19 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 165 407 - C_GB1_19 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 165 416 - C_GB1_19 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 165 422 - C_GB1_19 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 165 424 - C_GB1_19 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 165 430 - C_GB1_19 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 165 431 - C_GB1_19 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 165 432 - C_GB1_19 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 165 433 - C_GB1_19 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 165 440 - C_GB1_19 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 165 442 - C_GB1_19 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 165 448 - C_GB1_19 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 165 460 - C_GB1_19 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 165 462 - C_GB1_19 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 165 468 - C_GB1_19 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 165 469 - C_GB1_19 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 165 470 - C_GB1_19 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 165 476 - C_GB1_19 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 165 478 - C_GB1_19 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 165 484 - C_GB1_19 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 165 485 + C_GB1_19 CB_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 165 170 + C_GB1_19 CB_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 165 176 + C_GB1_19 CG1_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 165 177 + C_GB1_19 CG2_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 165 178 + C_GB1_19 CB_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 165 184 + C_GB1_19 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 165 193 + C_GB1_19 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 165 199 + C_GB1_19 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 165 205 + C_GB1_19 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 165 207 + C_GB1_19 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 165 213 + C_GB1_19 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 165 219 + C_GB1_19 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 165 220 + C_GB1_19 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 165 229 + C_GB1_19 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 165 230 + C_GB1_19 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 165 231 + C_GB1_19 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 165 232 + C_GB1_19 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 165 239 + C_GB1_19 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 165 240 + C_GB1_19 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 165 241 + C_GB1_19 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 165 247 + C_GB1_19 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 165 259 + C_GB1_19 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 165 260 + C_GB1_19 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 165 261 + C_GB1_19 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 165 262 + C_GB1_19 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 165 269 + C_GB1_19 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 165 270 + C_GB1_19 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 165 279 + C_GB1_19 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 165 292 + C_GB1_19 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 165 298 + C_GB1_19 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 165 307 + C_GB1_19 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 165 316 + C_GB1_19 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 165 324 + C_GB1_19 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 165 330 + C_GB1_19 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 165 331 + C_GB1_19 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 165 332 + C_GB1_19 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 165 338 + C_GB1_19 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 165 346 + C_GB1_19 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 165 352 + C_GB1_19 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 165 353 + C_GB1_19 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 165 362 + C_GB1_19 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 165 377 + C_GB1_19 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 165 379 + C_GB1_19 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 165 385 + C_GB1_19 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 165 398 + C_GB1_19 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 165 407 + C_GB1_19 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 165 416 + C_GB1_19 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 165 422 + C_GB1_19 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 165 424 + C_GB1_19 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 165 430 + C_GB1_19 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 165 431 + C_GB1_19 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 165 432 + C_GB1_19 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 165 433 + C_GB1_19 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 165 440 + C_GB1_19 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 165 442 + C_GB1_19 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 165 448 + C_GB1_19 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 165 460 + C_GB1_19 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 165 462 + C_GB1_19 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 165 468 + C_GB1_19 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 165 469 + C_GB1_19 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 165 470 + C_GB1_19 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 165 476 + C_GB1_19 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 165 478 + C_GB1_19 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 165 484 + C_GB1_19 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 165 485 O_GB1_19 O_GB1_19 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 166 166 O_GB1_19 H_GB1_20 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 166 168 O_GB1_19 CB_GB1_20 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 166 170 @@ -22128,70 +22128,70 @@ OE2_GB1_19 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- O_GB1_19 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 166 488 O_GB1_19 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 166 490 O_GB1_19 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 166 491 - N_GB1_20 CB_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 167 170 - N_GB1_20 CB_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 167 176 - N_GB1_20 CG1_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 167 177 - N_GB1_20 CG2_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 167 178 - N_GB1_20 CB_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 167 184 - N_GB1_20 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 167 193 - N_GB1_20 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 167 199 - N_GB1_20 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 167 205 - N_GB1_20 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 167 207 - N_GB1_20 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 167 213 - N_GB1_20 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 167 219 - N_GB1_20 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 167 220 - N_GB1_20 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 167 229 - N_GB1_20 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 167 230 - N_GB1_20 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 167 231 - N_GB1_20 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 167 232 - N_GB1_20 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 167 239 - N_GB1_20 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 167 240 - N_GB1_20 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 167 241 - N_GB1_20 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 167 247 - N_GB1_20 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 167 259 - N_GB1_20 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 167 260 - N_GB1_20 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 167 261 - N_GB1_20 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 167 262 - N_GB1_20 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 167 269 - N_GB1_20 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 167 270 - N_GB1_20 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 167 279 - N_GB1_20 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 167 292 - N_GB1_20 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 167 298 - N_GB1_20 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 167 307 - N_GB1_20 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 167 316 - N_GB1_20 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 167 324 - N_GB1_20 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 167 330 - N_GB1_20 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 167 331 - N_GB1_20 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 167 332 - N_GB1_20 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 167 338 - N_GB1_20 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 167 346 - N_GB1_20 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 167 352 - N_GB1_20 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 167 353 - N_GB1_20 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 167 362 - N_GB1_20 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 167 377 - N_GB1_20 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 167 379 - N_GB1_20 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 167 385 - N_GB1_20 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 167 398 - N_GB1_20 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 167 407 - N_GB1_20 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 167 416 - N_GB1_20 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 167 422 - N_GB1_20 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 167 424 - N_GB1_20 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 167 430 - N_GB1_20 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 167 431 - N_GB1_20 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 167 432 - N_GB1_20 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 167 433 - N_GB1_20 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 167 440 - N_GB1_20 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 167 442 - N_GB1_20 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 167 448 - N_GB1_20 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 167 460 - N_GB1_20 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 167 462 - N_GB1_20 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 167 468 - N_GB1_20 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 167 469 - N_GB1_20 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 167 470 - N_GB1_20 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 167 476 - N_GB1_20 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 167 478 - N_GB1_20 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 167 484 - N_GB1_20 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 167 485 + N_GB1_20 CB_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 167 170 + N_GB1_20 CB_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 167 176 + N_GB1_20 CG1_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 167 177 + N_GB1_20 CG2_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 167 178 + N_GB1_20 CB_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 167 184 + N_GB1_20 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 167 193 + N_GB1_20 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 167 199 + N_GB1_20 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 167 205 + N_GB1_20 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 167 207 + N_GB1_20 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 167 213 + N_GB1_20 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 167 219 + N_GB1_20 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 167 220 + N_GB1_20 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 167 229 + N_GB1_20 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 167 230 + N_GB1_20 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 167 231 + N_GB1_20 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 167 232 + N_GB1_20 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 167 239 + N_GB1_20 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 167 240 + N_GB1_20 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 167 241 + N_GB1_20 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 167 247 + N_GB1_20 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 167 259 + N_GB1_20 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 167 260 + N_GB1_20 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 167 261 + N_GB1_20 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 167 262 + N_GB1_20 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 167 269 + N_GB1_20 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 167 270 + N_GB1_20 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 167 279 + N_GB1_20 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 167 292 + N_GB1_20 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 167 298 + N_GB1_20 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 167 307 + N_GB1_20 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 167 316 + N_GB1_20 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 167 324 + N_GB1_20 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 167 330 + N_GB1_20 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 167 331 + N_GB1_20 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 167 332 + N_GB1_20 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 167 338 + N_GB1_20 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 167 346 + N_GB1_20 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 167 352 + N_GB1_20 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 167 353 + N_GB1_20 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 167 362 + N_GB1_20 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 167 377 + N_GB1_20 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 167 379 + N_GB1_20 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 167 385 + N_GB1_20 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 167 398 + N_GB1_20 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 167 407 + N_GB1_20 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 167 416 + N_GB1_20 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 167 422 + N_GB1_20 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 167 424 + N_GB1_20 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 167 430 + N_GB1_20 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 167 431 + N_GB1_20 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 167 432 + N_GB1_20 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 167 433 + N_GB1_20 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 167 440 + N_GB1_20 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 167 442 + N_GB1_20 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 167 448 + N_GB1_20 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 167 460 + N_GB1_20 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 167 462 + N_GB1_20 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 167 468 + N_GB1_20 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 167 469 + N_GB1_20 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 167 470 + N_GB1_20 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 167 476 + N_GB1_20 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 167 478 + N_GB1_20 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 167 484 + N_GB1_20 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 167 485 H_GB1_20 H_GB1_20 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 168 168 H_GB1_20 O_GB1_20 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 168 172 H_GB1_20 H_GB1_21 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 168 174 @@ -22294,225 +22294,225 @@ OE2_GB1_19 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- H_GB1_20 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 168 488 H_GB1_20 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 168 490 H_GB1_20 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 168 491 - CB_GB1_20 C_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 170 171 + CB_GB1_20 C_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 170 171 CB_GB1_20 O_GB1_20 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 170 172 - CB_GB1_20 N_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 170 173 - CB_GB1_20 C_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 170 179 + CB_GB1_20 N_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 170 173 + CB_GB1_20 C_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 170 179 CB_GB1_20 O_GB1_21 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 170 180 - CB_GB1_20 N_GB1_22 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 170 181 - CB_GB1_20 CG_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 170 185 + CB_GB1_20 N_GB1_22 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 170 181 + CB_GB1_20 CG_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 170 185 CB_GB1_20 OD1_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 170 186 CB_GB1_20 OD2_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 170 187 - CB_GB1_20 C_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 170 188 + CB_GB1_20 C_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 170 188 CB_GB1_20 O_GB1_22 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 170 189 - CB_GB1_20 N_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 170 190 - CB_GB1_20 C_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 170 194 + CB_GB1_20 N_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 170 190 + CB_GB1_20 C_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 170 194 CB_GB1_20 O_GB1_23 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 170 195 - CB_GB1_20 N_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 170 196 - CB_GB1_20 C_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 170 200 + CB_GB1_20 N_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 170 196 + CB_GB1_20 C_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 170 200 CB_GB1_20 O_GB1_24 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 170 201 - CB_GB1_20 N_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 170 202 - CB_GB1_20 OG1_GB1_25 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 170 206 - CB_GB1_20 C_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 170 208 + CB_GB1_20 N_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 170 202 + CB_GB1_20 OG1_GB1_25 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 170 206 + CB_GB1_20 C_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 170 208 CB_GB1_20 O_GB1_25 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 170 209 - CB_GB1_20 N_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 170 210 - CB_GB1_20 C_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 170 214 + CB_GB1_20 N_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 170 210 + CB_GB1_20 C_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 170 214 CB_GB1_20 O_GB1_26 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 170 215 - CB_GB1_20 N_GB1_27 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 170 216 - CB_GB1_20 CD_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 170 221 + CB_GB1_20 N_GB1_27 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 170 216 + CB_GB1_20 CD_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 170 221 CB_GB1_20 OE1_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 170 222 CB_GB1_20 OE2_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 170 223 - CB_GB1_20 C_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 170 224 + CB_GB1_20 C_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 170 224 CB_GB1_20 O_GB1_27 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 170 225 - CB_GB1_20 N_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 170 226 - CB_GB1_20 NZ_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 170 233 - CB_GB1_20 C_GB1_28 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 170 234 + CB_GB1_20 N_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 170 226 + CB_GB1_20 NZ_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 170 233 + CB_GB1_20 C_GB1_28 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 170 234 CB_GB1_20 O_GB1_28 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 170 235 - CB_GB1_20 N_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 170 236 - CB_GB1_20 C_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 170 242 + CB_GB1_20 N_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 170 236 + CB_GB1_20 C_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 170 242 CB_GB1_20 O_GB1_29 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 170 243 - CB_GB1_20 N_GB1_30 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 170 244 - CB_GB1_20 C_GB1_30 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 170 254 + CB_GB1_20 N_GB1_30 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 170 244 + CB_GB1_20 C_GB1_30 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 170 254 CB_GB1_20 O_GB1_30 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 170 255 - CB_GB1_20 N_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 170 256 - CB_GB1_20 NZ_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 170 263 - CB_GB1_20 C_GB1_31 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 170 264 + CB_GB1_20 N_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 170 256 + CB_GB1_20 NZ_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 170 263 + CB_GB1_20 C_GB1_31 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 170 264 CB_GB1_20 O_GB1_31 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 170 265 - CB_GB1_20 N_GB1_32 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 170 266 - CB_GB1_20 CD_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 170 271 + CB_GB1_20 N_GB1_32 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 170 266 + CB_GB1_20 CD_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 170 271 CB_GB1_20 OE1_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 170 272 - CB_GB1_20 NE2_GB1_32 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 170 273 - CB_GB1_20 C_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 170 274 + CB_GB1_20 NE2_GB1_32 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 170 273 + CB_GB1_20 C_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 170 274 CB_GB1_20 O_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 170 275 - CB_GB1_20 N_GB1_33 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 170 276 - CB_GB1_20 OH_GB1_33 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 170 286 - CB_GB1_20 C_GB1_33 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 170 287 + CB_GB1_20 N_GB1_33 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 170 276 + CB_GB1_20 OH_GB1_33 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 170 286 + CB_GB1_20 C_GB1_33 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 170 287 CB_GB1_20 O_GB1_33 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 170 288 - CB_GB1_20 N_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 170 289 - CB_GB1_20 C_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 170 293 + CB_GB1_20 N_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 170 289 + CB_GB1_20 C_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 170 293 CB_GB1_20 O_GB1_34 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 170 294 - CB_GB1_20 N_GB1_35 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 170 295 - CB_GB1_20 CG_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 170 299 + CB_GB1_20 N_GB1_35 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 170 295 + CB_GB1_20 CG_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 170 299 CB_GB1_20 OD1_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 170 300 - CB_GB1_20 ND2_GB1_35 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 170 301 - CB_GB1_20 C_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 170 302 + CB_GB1_20 ND2_GB1_35 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 170 301 + CB_GB1_20 C_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 170 302 CB_GB1_20 O_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 170 303 - CB_GB1_20 N_GB1_36 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 170 304 - CB_GB1_20 CG_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 170 308 + CB_GB1_20 N_GB1_36 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 170 304 + CB_GB1_20 CG_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 170 308 CB_GB1_20 OD1_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 170 309 CB_GB1_20 OD2_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 170 310 - CB_GB1_20 C_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 170 311 + CB_GB1_20 C_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 170 311 CB_GB1_20 O_GB1_36 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 170 312 - CB_GB1_20 N_GB1_37 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 170 313 - CB_GB1_20 CG_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 170 317 + CB_GB1_20 N_GB1_37 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 170 313 + CB_GB1_20 CG_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 170 317 CB_GB1_20 OD1_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 170 318 - CB_GB1_20 ND2_GB1_37 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 170 319 - CB_GB1_20 C_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 170 320 + CB_GB1_20 ND2_GB1_37 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 170 319 + CB_GB1_20 C_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 170 320 CB_GB1_20 O_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 170 321 - CB_GB1_20 N_GB1_38 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 170 322 - CB_GB1_20 C_GB1_38 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 170 325 + CB_GB1_20 N_GB1_38 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 170 322 + CB_GB1_20 C_GB1_38 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 170 325 CB_GB1_20 O_GB1_38 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 170 326 - CB_GB1_20 N_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 170 327 - CB_GB1_20 C_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 170 333 + CB_GB1_20 N_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 170 327 + CB_GB1_20 C_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 170 333 CB_GB1_20 O_GB1_39 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 170 334 - CB_GB1_20 N_GB1_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 170 335 - CB_GB1_20 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 170 339 + CB_GB1_20 N_GB1_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 170 335 + CB_GB1_20 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 170 339 CB_GB1_20 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 170 340 CB_GB1_20 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 170 341 - CB_GB1_20 C_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 170 342 + CB_GB1_20 C_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 170 342 CB_GB1_20 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 170 343 - CB_GB1_20 N_GB1_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 170 344 - CB_GB1_20 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 170 347 + CB_GB1_20 N_GB1_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 170 344 + CB_GB1_20 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 170 347 CB_GB1_20 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 170 348 - CB_GB1_20 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 170 349 - CB_GB1_20 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 170 354 + CB_GB1_20 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 170 349 + CB_GB1_20 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 170 354 CB_GB1_20 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 170 355 CB_GB1_20 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 170 356 - CB_GB1_20 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 170 357 + CB_GB1_20 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 170 357 CB_GB1_20 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 170 358 - CB_GB1_20 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 170 359 - CB_GB1_20 NE1_GB1_43 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.0 1.0 1.0 1.0 False mg 7 170 366 - CB_GB1_20 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 170 372 + CB_GB1_20 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 170 359 + CB_GB1_20 NE1_GB1_43 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.0 1.0 1.0 1.0 False mg 7 170 366 + CB_GB1_20 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 170 372 CB_GB1_20 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 170 373 - CB_GB1_20 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 170 374 - CB_GB1_20 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 170 378 - CB_GB1_20 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 170 380 + CB_GB1_20 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 170 374 + CB_GB1_20 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 170 378 + CB_GB1_20 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 170 380 CB_GB1_20 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 170 381 - CB_GB1_20 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 170 382 - CB_GB1_20 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 170 392 - CB_GB1_20 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 170 393 + CB_GB1_20 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 170 382 + CB_GB1_20 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 170 392 + CB_GB1_20 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 170 393 CB_GB1_20 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 170 394 - CB_GB1_20 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 170 395 - CB_GB1_20 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 170 399 + CB_GB1_20 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 170 395 + CB_GB1_20 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 170 399 CB_GB1_20 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 170 400 CB_GB1_20 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 170 401 - CB_GB1_20 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 170 402 + CB_GB1_20 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 170 402 CB_GB1_20 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 170 403 - CB_GB1_20 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 170 404 - CB_GB1_20 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 170 408 + CB_GB1_20 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 170 404 + CB_GB1_20 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 170 408 CB_GB1_20 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 170 409 CB_GB1_20 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 170 410 - CB_GB1_20 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 170 411 + CB_GB1_20 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 170 411 CB_GB1_20 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 170 412 - CB_GB1_20 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 170 413 - CB_GB1_20 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 170 417 + CB_GB1_20 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 170 413 + CB_GB1_20 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 170 417 CB_GB1_20 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 170 418 - CB_GB1_20 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 170 419 - CB_GB1_20 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 170 423 - CB_GB1_20 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 170 425 + CB_GB1_20 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 170 419 + CB_GB1_20 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 170 423 + CB_GB1_20 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 170 425 CB_GB1_20 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 170 426 - CB_GB1_20 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 170 427 - CB_GB1_20 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 170 434 - CB_GB1_20 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 170 435 + CB_GB1_20 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 170 427 + CB_GB1_20 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 170 434 + CB_GB1_20 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 170 435 CB_GB1_20 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 170 436 - CB_GB1_20 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 170 437 - CB_GB1_20 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 170 441 - CB_GB1_20 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 170 443 + CB_GB1_20 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 170 437 + CB_GB1_20 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 170 441 + CB_GB1_20 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 170 443 CB_GB1_20 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 170 444 - CB_GB1_20 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 170 445 - CB_GB1_20 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 170 455 + CB_GB1_20 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 170 445 + CB_GB1_20 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 170 455 CB_GB1_20 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 170 456 - CB_GB1_20 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 170 457 - CB_GB1_20 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 170 461 - CB_GB1_20 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 170 463 + CB_GB1_20 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 170 457 + CB_GB1_20 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 170 461 + CB_GB1_20 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 170 463 CB_GB1_20 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 170 464 - CB_GB1_20 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 170 465 - CB_GB1_20 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 170 471 + CB_GB1_20 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 170 465 + CB_GB1_20 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 170 471 CB_GB1_20 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 170 472 - CB_GB1_20 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 170 473 - CB_GB1_20 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 170 477 - CB_GB1_20 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 170 479 + CB_GB1_20 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 170 473 + CB_GB1_20 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 170 477 + CB_GB1_20 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 170 479 CB_GB1_20 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 170 480 - CB_GB1_20 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 170 481 - CB_GB1_20 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 170 486 + CB_GB1_20 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 170 481 + CB_GB1_20 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 170 486 CB_GB1_20 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 170 487 CB_GB1_20 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 170 488 - CB_GB1_20 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 170 489 + CB_GB1_20 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 170 489 CB_GB1_20 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 170 490 CB_GB1_20 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 170 491 - C_GB1_20 CB_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 171 176 - C_GB1_20 CG1_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 171 177 - C_GB1_20 CG2_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 171 178 - C_GB1_20 CB_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 171 184 - C_GB1_20 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 171 193 - C_GB1_20 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 171 199 - C_GB1_20 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 171 205 - C_GB1_20 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 171 207 - C_GB1_20 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 171 213 - C_GB1_20 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 171 219 - C_GB1_20 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 171 220 - C_GB1_20 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 171 229 - C_GB1_20 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 171 230 - C_GB1_20 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 171 231 - C_GB1_20 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 171 232 - C_GB1_20 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 171 239 - C_GB1_20 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 171 240 - C_GB1_20 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 171 241 - C_GB1_20 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 171 247 - C_GB1_20 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 171 259 - C_GB1_20 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 171 260 - C_GB1_20 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 171 261 - C_GB1_20 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 171 262 - C_GB1_20 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 171 269 - C_GB1_20 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 171 270 - C_GB1_20 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 171 279 - C_GB1_20 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 171 292 - C_GB1_20 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 171 298 - C_GB1_20 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 171 307 - C_GB1_20 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 171 316 - C_GB1_20 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 171 324 - C_GB1_20 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 171 330 - C_GB1_20 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 171 331 - C_GB1_20 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 171 332 - C_GB1_20 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 171 338 - C_GB1_20 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 171 346 - C_GB1_20 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 171 352 - C_GB1_20 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 171 353 - C_GB1_20 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 171 362 - C_GB1_20 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 171 377 - C_GB1_20 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 171 379 - C_GB1_20 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 171 385 - C_GB1_20 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 171 398 - C_GB1_20 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 171 407 - C_GB1_20 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 171 416 - C_GB1_20 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 171 422 - C_GB1_20 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 171 424 - C_GB1_20 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 171 430 - C_GB1_20 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 171 431 - C_GB1_20 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 171 432 - C_GB1_20 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 171 433 - C_GB1_20 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 171 440 - C_GB1_20 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 171 442 - C_GB1_20 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 171 448 - C_GB1_20 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 171 460 - C_GB1_20 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 171 462 - C_GB1_20 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 171 468 - C_GB1_20 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 171 469 - C_GB1_20 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 171 470 - C_GB1_20 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 171 476 - C_GB1_20 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 171 478 - C_GB1_20 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 171 484 - C_GB1_20 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 171 485 + C_GB1_20 CB_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 171 176 + C_GB1_20 CG1_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 171 177 + C_GB1_20 CG2_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 171 178 + C_GB1_20 CB_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 171 184 + C_GB1_20 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 171 193 + C_GB1_20 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 171 199 + C_GB1_20 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 171 205 + C_GB1_20 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 171 207 + C_GB1_20 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 171 213 + C_GB1_20 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 171 219 + C_GB1_20 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 171 220 + C_GB1_20 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 171 229 + C_GB1_20 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 171 230 + C_GB1_20 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 171 231 + C_GB1_20 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 171 232 + C_GB1_20 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 171 239 + C_GB1_20 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 171 240 + C_GB1_20 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 171 241 + C_GB1_20 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 171 247 + C_GB1_20 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 171 259 + C_GB1_20 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 171 260 + C_GB1_20 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 171 261 + C_GB1_20 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 171 262 + C_GB1_20 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 171 269 + C_GB1_20 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 171 270 + C_GB1_20 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 171 279 + C_GB1_20 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 171 292 + C_GB1_20 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 171 298 + C_GB1_20 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 171 307 + C_GB1_20 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 171 316 + C_GB1_20 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 171 324 + C_GB1_20 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 171 330 + C_GB1_20 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 171 331 + C_GB1_20 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 171 332 + C_GB1_20 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 171 338 + C_GB1_20 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 171 346 + C_GB1_20 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 171 352 + C_GB1_20 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 171 353 + C_GB1_20 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 171 362 + C_GB1_20 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 171 377 + C_GB1_20 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 171 379 + C_GB1_20 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 171 385 + C_GB1_20 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 171 398 + C_GB1_20 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 171 407 + C_GB1_20 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 171 416 + C_GB1_20 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 171 422 + C_GB1_20 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 171 424 + C_GB1_20 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 171 430 + C_GB1_20 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 171 431 + C_GB1_20 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 171 432 + C_GB1_20 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 171 433 + C_GB1_20 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 171 440 + C_GB1_20 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 171 442 + C_GB1_20 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 171 448 + C_GB1_20 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 171 460 + C_GB1_20 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 171 462 + C_GB1_20 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 171 468 + C_GB1_20 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 171 469 + C_GB1_20 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 171 470 + C_GB1_20 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 171 476 + C_GB1_20 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 171 478 + C_GB1_20 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 171 484 + C_GB1_20 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 171 485 O_GB1_20 O_GB1_20 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 172 172 O_GB1_20 H_GB1_21 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 172 174 O_GB1_20 CB_GB1_21 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 172 176 @@ -22669,69 +22669,69 @@ OE2_GB1_19 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- O_GB1_20 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 172 488 O_GB1_20 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 172 490 O_GB1_20 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 172 491 - N_GB1_21 CB_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 173 176 - N_GB1_21 CG1_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 173 177 - N_GB1_21 CG2_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 173 178 - N_GB1_21 CB_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 173 184 - N_GB1_21 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 173 193 - N_GB1_21 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 173 199 - N_GB1_21 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 173 205 - N_GB1_21 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 173 207 - N_GB1_21 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 173 213 - N_GB1_21 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 173 219 - N_GB1_21 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 173 220 - N_GB1_21 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 173 229 - N_GB1_21 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 173 230 - N_GB1_21 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 173 231 - N_GB1_21 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 173 232 - N_GB1_21 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 173 239 - N_GB1_21 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 173 240 - N_GB1_21 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 173 241 - N_GB1_21 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 173 247 - N_GB1_21 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 173 259 - N_GB1_21 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 173 260 - N_GB1_21 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 173 261 - N_GB1_21 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 173 262 - N_GB1_21 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 173 269 - N_GB1_21 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 173 270 - N_GB1_21 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 173 279 - N_GB1_21 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 173 292 - N_GB1_21 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 173 298 - N_GB1_21 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 173 307 - N_GB1_21 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 173 316 - N_GB1_21 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 173 324 - N_GB1_21 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 173 330 - N_GB1_21 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 173 331 - N_GB1_21 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 173 332 - N_GB1_21 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 173 338 - N_GB1_21 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 173 346 - N_GB1_21 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 173 352 - N_GB1_21 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 173 353 - N_GB1_21 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 173 362 - N_GB1_21 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 173 377 - N_GB1_21 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 173 379 - N_GB1_21 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 173 385 - N_GB1_21 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 173 398 - N_GB1_21 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 173 407 - N_GB1_21 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 173 416 - N_GB1_21 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 173 422 - N_GB1_21 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 173 424 - N_GB1_21 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 173 430 - N_GB1_21 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 173 431 - N_GB1_21 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 173 432 - N_GB1_21 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 173 433 - N_GB1_21 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 173 440 - N_GB1_21 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 173 442 - N_GB1_21 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 173 448 - N_GB1_21 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 173 460 - N_GB1_21 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 173 462 - N_GB1_21 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 173 468 - N_GB1_21 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 173 469 - N_GB1_21 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 173 470 - N_GB1_21 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 173 476 - N_GB1_21 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 173 478 - N_GB1_21 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 173 484 - N_GB1_21 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 173 485 + N_GB1_21 CB_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 173 176 + N_GB1_21 CG1_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 173 177 + N_GB1_21 CG2_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 173 178 + N_GB1_21 CB_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 173 184 + N_GB1_21 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 173 193 + N_GB1_21 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 173 199 + N_GB1_21 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 173 205 + N_GB1_21 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 173 207 + N_GB1_21 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 173 213 + N_GB1_21 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 173 219 + N_GB1_21 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 173 220 + N_GB1_21 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 173 229 + N_GB1_21 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 173 230 + N_GB1_21 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 173 231 + N_GB1_21 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 173 232 + N_GB1_21 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 173 239 + N_GB1_21 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 173 240 + N_GB1_21 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 173 241 + N_GB1_21 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 173 247 + N_GB1_21 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 173 259 + N_GB1_21 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 173 260 + N_GB1_21 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 173 261 + N_GB1_21 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 173 262 + N_GB1_21 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 173 269 + N_GB1_21 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 173 270 + N_GB1_21 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 173 279 + N_GB1_21 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 173 292 + N_GB1_21 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 173 298 + N_GB1_21 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 173 307 + N_GB1_21 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 173 316 + N_GB1_21 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 173 324 + N_GB1_21 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 173 330 + N_GB1_21 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 173 331 + N_GB1_21 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 173 332 + N_GB1_21 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 173 338 + N_GB1_21 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 173 346 + N_GB1_21 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 173 352 + N_GB1_21 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 173 353 + N_GB1_21 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 173 362 + N_GB1_21 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 173 377 + N_GB1_21 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 173 379 + N_GB1_21 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 173 385 + N_GB1_21 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 173 398 + N_GB1_21 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 173 407 + N_GB1_21 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 173 416 + N_GB1_21 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 173 422 + N_GB1_21 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 173 424 + N_GB1_21 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 173 430 + N_GB1_21 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 173 431 + N_GB1_21 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 173 432 + N_GB1_21 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 173 433 + N_GB1_21 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 173 440 + N_GB1_21 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 173 442 + N_GB1_21 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 173 448 + N_GB1_21 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 173 460 + N_GB1_21 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 173 462 + N_GB1_21 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 173 468 + N_GB1_21 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 173 469 + N_GB1_21 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 173 470 + N_GB1_21 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 173 476 + N_GB1_21 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 173 478 + N_GB1_21 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 173 484 + N_GB1_21 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 173 485 H_GB1_21 H_GB1_21 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 174 174 H_GB1_21 O_GB1_21 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 174 180 H_GB1_21 H_GB1_22 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 174 182 @@ -22832,525 +22832,525 @@ OE2_GB1_19 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- H_GB1_21 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 174 488 H_GB1_21 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 174 490 H_GB1_21 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 174 491 - CB_GB1_21 C_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 176 179 + CB_GB1_21 C_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 176 179 CB_GB1_21 O_GB1_21 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 176 180 - CB_GB1_21 N_GB1_22 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 176 181 - CB_GB1_21 CG_GB1_22 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 176 185 - CB_GB1_21 OD1_GB1_22 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 176 186 - CB_GB1_21 OD2_GB1_22 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 176 187 - CB_GB1_21 C_GB1_22 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 176 188 + CB_GB1_21 N_GB1_22 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 176 181 + CB_GB1_21 CG_GB1_22 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 176 185 + CB_GB1_21 OD1_GB1_22 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 176 186 + CB_GB1_21 OD2_GB1_22 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 176 187 + CB_GB1_21 C_GB1_22 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 176 188 CB_GB1_21 O_GB1_22 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 176 189 - CB_GB1_21 N_GB1_23 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 176 190 - CB_GB1_21 C_GB1_23 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 176 194 + CB_GB1_21 N_GB1_23 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 176 190 + CB_GB1_21 C_GB1_23 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 176 194 CB_GB1_21 O_GB1_23 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 176 195 - CB_GB1_21 N_GB1_24 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 176 196 - CB_GB1_21 C_GB1_24 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 176 200 + CB_GB1_21 N_GB1_24 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 176 196 + CB_GB1_21 C_GB1_24 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 176 200 CB_GB1_21 O_GB1_24 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 176 201 - CB_GB1_21 N_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 176 202 - CB_GB1_21 OG1_GB1_25 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 176 206 - CB_GB1_21 C_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 176 208 + CB_GB1_21 N_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 176 202 + CB_GB1_21 OG1_GB1_25 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 176 206 + CB_GB1_21 C_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 176 208 CB_GB1_21 O_GB1_25 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 176 209 - CB_GB1_21 N_GB1_26 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 176 210 - CB_GB1_21 C_GB1_26 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 176 214 + CB_GB1_21 N_GB1_26 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 176 210 + CB_GB1_21 C_GB1_26 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 176 214 CB_GB1_21 O_GB1_26 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 176 215 - CB_GB1_21 N_GB1_27 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 176 216 - CB_GB1_21 CD_GB1_27 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 176 221 - CB_GB1_21 OE1_GB1_27 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 176 222 - CB_GB1_21 OE2_GB1_27 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 176 223 - CB_GB1_21 C_GB1_27 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 176 224 + CB_GB1_21 N_GB1_27 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 176 216 + CB_GB1_21 CD_GB1_27 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 176 221 + CB_GB1_21 OE1_GB1_27 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 176 222 + CB_GB1_21 OE2_GB1_27 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 176 223 + CB_GB1_21 C_GB1_27 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 176 224 CB_GB1_21 O_GB1_27 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 176 225 - CB_GB1_21 N_GB1_28 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 176 226 - CB_GB1_21 NZ_GB1_28 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 176 233 - CB_GB1_21 C_GB1_28 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 176 234 + CB_GB1_21 N_GB1_28 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 176 226 + CB_GB1_21 NZ_GB1_28 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 176 233 + CB_GB1_21 C_GB1_28 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 176 234 CB_GB1_21 O_GB1_28 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 176 235 - CB_GB1_21 N_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 176 236 - CB_GB1_21 C_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 176 242 + CB_GB1_21 N_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 176 236 + CB_GB1_21 C_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 176 242 CB_GB1_21 O_GB1_29 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 176 243 - CB_GB1_21 N_GB1_30 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 176 244 - CB_GB1_21 C_GB1_30 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 176 254 + CB_GB1_21 N_GB1_30 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 176 244 + CB_GB1_21 C_GB1_30 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 176 254 CB_GB1_21 O_GB1_30 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 176 255 - CB_GB1_21 N_GB1_31 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 176 256 - CB_GB1_21 NZ_GB1_31 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 176 263 - CB_GB1_21 C_GB1_31 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 176 264 + CB_GB1_21 N_GB1_31 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 176 256 + CB_GB1_21 NZ_GB1_31 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 176 263 + CB_GB1_21 C_GB1_31 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 176 264 CB_GB1_21 O_GB1_31 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 176 265 - CB_GB1_21 N_GB1_32 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 176 266 - CB_GB1_21 CD_GB1_32 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 176 271 + CB_GB1_21 N_GB1_32 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 176 266 + CB_GB1_21 CD_GB1_32 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 176 271 CB_GB1_21 OE1_GB1_32 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 176 272 - CB_GB1_21 NE2_GB1_32 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 176 273 - CB_GB1_21 C_GB1_32 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 176 274 + CB_GB1_21 NE2_GB1_32 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 176 273 + CB_GB1_21 C_GB1_32 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 176 274 CB_GB1_21 O_GB1_32 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 176 275 - CB_GB1_21 N_GB1_33 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 176 276 - CB_GB1_21 OH_GB1_33 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 176 286 - CB_GB1_21 C_GB1_33 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 176 287 + CB_GB1_21 N_GB1_33 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 176 276 + CB_GB1_21 OH_GB1_33 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 176 286 + CB_GB1_21 C_GB1_33 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 176 287 CB_GB1_21 O_GB1_33 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 176 288 - CB_GB1_21 N_GB1_34 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 176 289 - CB_GB1_21 C_GB1_34 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 176 293 + CB_GB1_21 N_GB1_34 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 176 289 + CB_GB1_21 C_GB1_34 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 176 293 CB_GB1_21 O_GB1_34 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 176 294 - CB_GB1_21 N_GB1_35 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 176 295 - CB_GB1_21 CG_GB1_35 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 176 299 + CB_GB1_21 N_GB1_35 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 176 295 + CB_GB1_21 CG_GB1_35 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 176 299 CB_GB1_21 OD1_GB1_35 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 176 300 - CB_GB1_21 ND2_GB1_35 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 176 301 - CB_GB1_21 C_GB1_35 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 176 302 + CB_GB1_21 ND2_GB1_35 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 176 301 + CB_GB1_21 C_GB1_35 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 176 302 CB_GB1_21 O_GB1_35 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 176 303 - CB_GB1_21 N_GB1_36 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 176 304 - CB_GB1_21 CG_GB1_36 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 176 308 - CB_GB1_21 OD1_GB1_36 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 176 309 - CB_GB1_21 OD2_GB1_36 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 176 310 - CB_GB1_21 C_GB1_36 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 176 311 + CB_GB1_21 N_GB1_36 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 176 304 + CB_GB1_21 CG_GB1_36 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 176 308 + CB_GB1_21 OD1_GB1_36 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 176 309 + CB_GB1_21 OD2_GB1_36 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 176 310 + CB_GB1_21 C_GB1_36 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 176 311 CB_GB1_21 O_GB1_36 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 176 312 - CB_GB1_21 N_GB1_37 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 176 313 - CB_GB1_21 CG_GB1_37 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 176 317 + CB_GB1_21 N_GB1_37 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 176 313 + CB_GB1_21 CG_GB1_37 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 176 317 CB_GB1_21 OD1_GB1_37 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 176 318 - CB_GB1_21 ND2_GB1_37 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 176 319 - CB_GB1_21 C_GB1_37 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 176 320 + CB_GB1_21 ND2_GB1_37 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 176 319 + CB_GB1_21 C_GB1_37 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 176 320 CB_GB1_21 O_GB1_37 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 176 321 - CB_GB1_21 N_GB1_38 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 176 322 - CB_GB1_21 C_GB1_38 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 176 325 + CB_GB1_21 N_GB1_38 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 176 322 + CB_GB1_21 C_GB1_38 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 176 325 CB_GB1_21 O_GB1_38 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 176 326 - CB_GB1_21 N_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 176 327 - CB_GB1_21 C_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 176 333 + CB_GB1_21 N_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 176 327 + CB_GB1_21 C_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 176 333 CB_GB1_21 O_GB1_39 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 176 334 - CB_GB1_21 N_GB1_40 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 176 335 - CB_GB1_21 CG_GB1_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 176 339 - CB_GB1_21 OD1_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 176 340 - CB_GB1_21 OD2_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 176 341 - CB_GB1_21 C_GB1_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 176 342 + CB_GB1_21 N_GB1_40 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 176 335 + CB_GB1_21 CG_GB1_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 176 339 + CB_GB1_21 OD1_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 176 340 + CB_GB1_21 OD2_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 176 341 + CB_GB1_21 C_GB1_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 176 342 CB_GB1_21 O_GB1_40 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 176 343 - CB_GB1_21 N_GB1_41 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 176 344 - CB_GB1_21 C_GB1_41 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 176 347 + CB_GB1_21 N_GB1_41 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 176 344 + CB_GB1_21 C_GB1_41 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 176 347 CB_GB1_21 O_GB1_41 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 176 348 - CB_GB1_21 N_GB1_42 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 176 349 - CB_GB1_21 CD_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 176 354 - CB_GB1_21 OE1_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 176 355 - CB_GB1_21 OE2_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 176 356 - CB_GB1_21 C_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 176 357 + CB_GB1_21 N_GB1_42 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 176 349 + CB_GB1_21 CD_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 176 354 + CB_GB1_21 OE1_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 176 355 + CB_GB1_21 OE2_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 176 356 + CB_GB1_21 C_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 176 357 CB_GB1_21 O_GB1_42 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 176 358 - CB_GB1_21 N_GB1_43 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 176 359 - CB_GB1_21 NE1_GB1_43 1 0.000000e+00 9.937288e-06 ; 8.853117e-06 -9.937288e-06 1.0 1.0 1.0 1.0 False mg 7 176 366 - CB_GB1_21 C_GB1_43 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 176 372 + CB_GB1_21 N_GB1_43 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 176 359 + CB_GB1_21 NE1_GB1_43 1 0.000000e+00 9.937231e-06 ; 8.853066e-06 -9.937231e-06 1.0 1.0 1.0 1.0 False mg 7 176 366 + CB_GB1_21 C_GB1_43 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 176 372 CB_GB1_21 O_GB1_43 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 176 373 - CB_GB1_21 N_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 176 374 - CB_GB1_21 OG1_GB1_44 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 176 378 - CB_GB1_21 C_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 176 380 + CB_GB1_21 N_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 176 374 + CB_GB1_21 OG1_GB1_44 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 176 378 + CB_GB1_21 C_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 176 380 CB_GB1_21 O_GB1_44 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 176 381 - CB_GB1_21 N_GB1_45 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 176 382 - CB_GB1_21 OH_GB1_45 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 176 392 - CB_GB1_21 C_GB1_45 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 176 393 + CB_GB1_21 N_GB1_45 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 176 382 + CB_GB1_21 OH_GB1_45 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 176 392 + CB_GB1_21 C_GB1_45 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 176 393 CB_GB1_21 O_GB1_45 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 176 394 - CB_GB1_21 N_GB1_46 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 176 395 - CB_GB1_21 CG_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 176 399 - CB_GB1_21 OD1_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 176 400 - CB_GB1_21 OD2_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 176 401 - CB_GB1_21 C_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 176 402 + CB_GB1_21 N_GB1_46 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 176 395 + CB_GB1_21 CG_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 176 399 + CB_GB1_21 OD1_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 176 400 + CB_GB1_21 OD2_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 176 401 + CB_GB1_21 C_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 176 402 CB_GB1_21 O_GB1_46 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 176 403 - CB_GB1_21 N_GB1_47 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 176 404 - CB_GB1_21 CG_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 176 408 - CB_GB1_21 OD1_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 176 409 - CB_GB1_21 OD2_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 176 410 - CB_GB1_21 C_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 176 411 + CB_GB1_21 N_GB1_47 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 176 404 + CB_GB1_21 CG_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 176 408 + CB_GB1_21 OD1_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 176 409 + CB_GB1_21 OD2_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 176 410 + CB_GB1_21 C_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 176 411 CB_GB1_21 O_GB1_47 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 176 412 - CB_GB1_21 N_GB1_48 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 176 413 - CB_GB1_21 C_GB1_48 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 176 417 + CB_GB1_21 N_GB1_48 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 176 413 + CB_GB1_21 C_GB1_48 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 176 417 CB_GB1_21 O_GB1_48 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 176 418 - CB_GB1_21 N_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 176 419 - CB_GB1_21 OG1_GB1_49 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 176 423 - CB_GB1_21 C_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 176 425 + CB_GB1_21 N_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 176 419 + CB_GB1_21 OG1_GB1_49 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 176 423 + CB_GB1_21 C_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 176 425 CB_GB1_21 O_GB1_49 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 176 426 - CB_GB1_21 N_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 176 427 - CB_GB1_21 NZ_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 176 434 - CB_GB1_21 C_GB1_50 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 176 435 + CB_GB1_21 N_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 176 427 + CB_GB1_21 NZ_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 176 434 + CB_GB1_21 C_GB1_50 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 176 435 CB_GB1_21 O_GB1_50 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 176 436 - CB_GB1_21 N_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 176 437 - CB_GB1_21 OG1_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 176 441 - CB_GB1_21 C_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 176 443 + CB_GB1_21 N_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 176 437 + CB_GB1_21 OG1_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 176 441 + CB_GB1_21 C_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 176 443 CB_GB1_21 O_GB1_51 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 176 444 - CB_GB1_21 N_GB1_52 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 176 445 - CB_GB1_21 C_GB1_52 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 176 455 + CB_GB1_21 N_GB1_52 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 176 445 + CB_GB1_21 C_GB1_52 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 176 455 CB_GB1_21 O_GB1_52 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 176 456 - CB_GB1_21 N_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 176 457 - CB_GB1_21 OG1_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 176 461 - CB_GB1_21 C_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 176 463 + CB_GB1_21 N_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 176 457 + CB_GB1_21 OG1_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 176 461 + CB_GB1_21 C_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 176 463 CB_GB1_21 O_GB1_53 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 176 464 - CB_GB1_21 N_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 176 465 - CB_GB1_21 C_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 176 471 + CB_GB1_21 N_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 176 465 + CB_GB1_21 C_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 176 471 CB_GB1_21 O_GB1_54 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 176 472 - CB_GB1_21 N_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 176 473 - CB_GB1_21 OG1_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 176 477 - CB_GB1_21 C_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 176 479 + CB_GB1_21 N_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 176 473 + CB_GB1_21 OG1_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 176 477 + CB_GB1_21 C_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 176 479 CB_GB1_21 O_GB1_55 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 176 480 - CB_GB1_21 N_GB1_56 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 176 481 - CB_GB1_21 CD_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 176 486 - CB_GB1_21 OE1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 176 487 - CB_GB1_21 OE2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 176 488 - CB_GB1_21 C_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 176 489 - CB_GB1_21 O1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 176 490 - CB_GB1_21 O2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 176 491 -CG1_GB1_21 C_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 177 179 + CB_GB1_21 N_GB1_56 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 176 481 + CB_GB1_21 CD_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 176 486 + CB_GB1_21 OE1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 176 487 + CB_GB1_21 OE2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 176 488 + CB_GB1_21 C_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 176 489 + CB_GB1_21 O1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 176 490 + CB_GB1_21 O2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 176 491 +CG1_GB1_21 C_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 177 179 CG1_GB1_21 O_GB1_21 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 177 180 -CG1_GB1_21 N_GB1_22 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 177 181 -CG1_GB1_21 CG_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 177 185 +CG1_GB1_21 N_GB1_22 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 177 181 +CG1_GB1_21 CG_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 177 185 CG1_GB1_21 OD1_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 177 186 CG1_GB1_21 OD2_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 177 187 -CG1_GB1_21 C_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 177 188 +CG1_GB1_21 C_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 177 188 CG1_GB1_21 O_GB1_22 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 177 189 -CG1_GB1_21 N_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 177 190 -CG1_GB1_21 C_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 177 194 +CG1_GB1_21 N_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 177 190 +CG1_GB1_21 C_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 177 194 CG1_GB1_21 O_GB1_23 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 177 195 -CG1_GB1_21 N_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 177 196 -CG1_GB1_21 C_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 177 200 +CG1_GB1_21 N_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 177 196 +CG1_GB1_21 C_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 177 200 CG1_GB1_21 O_GB1_24 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 177 201 -CG1_GB1_21 N_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 177 202 -CG1_GB1_21 OG1_GB1_25 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 177 206 -CG1_GB1_21 C_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 177 208 +CG1_GB1_21 N_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 177 202 +CG1_GB1_21 OG1_GB1_25 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 177 206 +CG1_GB1_21 C_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 177 208 CG1_GB1_21 O_GB1_25 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 177 209 -CG1_GB1_21 N_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 177 210 -CG1_GB1_21 C_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 177 214 +CG1_GB1_21 N_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 177 210 +CG1_GB1_21 C_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 177 214 CG1_GB1_21 O_GB1_26 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 177 215 -CG1_GB1_21 N_GB1_27 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 177 216 -CG1_GB1_21 CD_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 177 221 +CG1_GB1_21 N_GB1_27 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 177 216 +CG1_GB1_21 CD_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 177 221 CG1_GB1_21 OE1_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 177 222 CG1_GB1_21 OE2_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 177 223 -CG1_GB1_21 C_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 177 224 +CG1_GB1_21 C_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 177 224 CG1_GB1_21 O_GB1_27 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 177 225 -CG1_GB1_21 N_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 177 226 -CG1_GB1_21 NZ_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 177 233 -CG1_GB1_21 C_GB1_28 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 177 234 +CG1_GB1_21 N_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 177 226 +CG1_GB1_21 NZ_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 177 233 +CG1_GB1_21 C_GB1_28 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 177 234 CG1_GB1_21 O_GB1_28 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 177 235 -CG1_GB1_21 N_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 177 236 -CG1_GB1_21 C_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 177 242 +CG1_GB1_21 N_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 177 236 +CG1_GB1_21 C_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 177 242 CG1_GB1_21 O_GB1_29 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 177 243 -CG1_GB1_21 N_GB1_30 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 177 244 -CG1_GB1_21 C_GB1_30 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 177 254 +CG1_GB1_21 N_GB1_30 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 177 244 +CG1_GB1_21 C_GB1_30 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 177 254 CG1_GB1_21 O_GB1_30 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 177 255 -CG1_GB1_21 N_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 177 256 -CG1_GB1_21 NZ_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 177 263 -CG1_GB1_21 C_GB1_31 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 177 264 +CG1_GB1_21 N_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 177 256 +CG1_GB1_21 NZ_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 177 263 +CG1_GB1_21 C_GB1_31 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 177 264 CG1_GB1_21 O_GB1_31 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 177 265 -CG1_GB1_21 N_GB1_32 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 177 266 -CG1_GB1_21 CD_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 177 271 +CG1_GB1_21 N_GB1_32 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 177 266 +CG1_GB1_21 CD_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 177 271 CG1_GB1_21 OE1_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 177 272 -CG1_GB1_21 NE2_GB1_32 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 177 273 -CG1_GB1_21 C_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 177 274 +CG1_GB1_21 NE2_GB1_32 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 177 273 +CG1_GB1_21 C_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 177 274 CG1_GB1_21 O_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 177 275 -CG1_GB1_21 N_GB1_33 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 177 276 -CG1_GB1_21 OH_GB1_33 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 177 286 -CG1_GB1_21 C_GB1_33 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 177 287 +CG1_GB1_21 N_GB1_33 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 177 276 +CG1_GB1_21 OH_GB1_33 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 177 286 +CG1_GB1_21 C_GB1_33 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 177 287 CG1_GB1_21 O_GB1_33 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 177 288 -CG1_GB1_21 N_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 177 289 -CG1_GB1_21 C_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 177 293 +CG1_GB1_21 N_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 177 289 +CG1_GB1_21 C_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 177 293 CG1_GB1_21 O_GB1_34 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 177 294 -CG1_GB1_21 N_GB1_35 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 177 295 -CG1_GB1_21 CG_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 177 299 +CG1_GB1_21 N_GB1_35 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 177 295 +CG1_GB1_21 CG_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 177 299 CG1_GB1_21 OD1_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 177 300 -CG1_GB1_21 ND2_GB1_35 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 177 301 -CG1_GB1_21 C_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 177 302 +CG1_GB1_21 ND2_GB1_35 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 177 301 +CG1_GB1_21 C_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 177 302 CG1_GB1_21 O_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 177 303 -CG1_GB1_21 N_GB1_36 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 177 304 -CG1_GB1_21 CG_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 177 308 +CG1_GB1_21 N_GB1_36 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 177 304 +CG1_GB1_21 CG_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 177 308 CG1_GB1_21 OD1_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 177 309 CG1_GB1_21 OD2_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 177 310 -CG1_GB1_21 C_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 177 311 +CG1_GB1_21 C_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 177 311 CG1_GB1_21 O_GB1_36 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 177 312 -CG1_GB1_21 N_GB1_37 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 177 313 -CG1_GB1_21 CG_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 177 317 +CG1_GB1_21 N_GB1_37 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 177 313 +CG1_GB1_21 CG_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 177 317 CG1_GB1_21 OD1_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 177 318 -CG1_GB1_21 ND2_GB1_37 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 177 319 -CG1_GB1_21 C_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 177 320 +CG1_GB1_21 ND2_GB1_37 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 177 319 +CG1_GB1_21 C_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 177 320 CG1_GB1_21 O_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 177 321 -CG1_GB1_21 N_GB1_38 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 177 322 -CG1_GB1_21 C_GB1_38 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 177 325 +CG1_GB1_21 N_GB1_38 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 177 322 +CG1_GB1_21 C_GB1_38 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 177 325 CG1_GB1_21 O_GB1_38 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 177 326 -CG1_GB1_21 N_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 177 327 -CG1_GB1_21 C_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 177 333 +CG1_GB1_21 N_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 177 327 +CG1_GB1_21 C_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 177 333 CG1_GB1_21 O_GB1_39 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 177 334 -CG1_GB1_21 N_GB1_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 177 335 -CG1_GB1_21 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 177 339 +CG1_GB1_21 N_GB1_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 177 335 +CG1_GB1_21 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 177 339 CG1_GB1_21 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 177 340 CG1_GB1_21 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 177 341 -CG1_GB1_21 C_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 177 342 +CG1_GB1_21 C_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 177 342 CG1_GB1_21 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 177 343 -CG1_GB1_21 N_GB1_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 177 344 -CG1_GB1_21 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 177 347 +CG1_GB1_21 N_GB1_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 177 344 +CG1_GB1_21 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 177 347 CG1_GB1_21 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 177 348 -CG1_GB1_21 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 177 349 -CG1_GB1_21 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 177 354 +CG1_GB1_21 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 177 349 +CG1_GB1_21 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 177 354 CG1_GB1_21 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 177 355 CG1_GB1_21 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 177 356 -CG1_GB1_21 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 177 357 +CG1_GB1_21 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 177 357 CG1_GB1_21 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 177 358 -CG1_GB1_21 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 177 359 -CG1_GB1_21 NE1_GB1_43 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.0 1.0 1.0 1.0 False mg 7 177 366 -CG1_GB1_21 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 177 372 +CG1_GB1_21 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 177 359 +CG1_GB1_21 NE1_GB1_43 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.0 1.0 1.0 1.0 False mg 7 177 366 +CG1_GB1_21 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 177 372 CG1_GB1_21 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 177 373 -CG1_GB1_21 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 177 374 -CG1_GB1_21 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 177 378 -CG1_GB1_21 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 177 380 +CG1_GB1_21 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 177 374 +CG1_GB1_21 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 177 378 +CG1_GB1_21 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 177 380 CG1_GB1_21 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 177 381 -CG1_GB1_21 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 177 382 -CG1_GB1_21 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 177 392 -CG1_GB1_21 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 177 393 +CG1_GB1_21 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 177 382 +CG1_GB1_21 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 177 392 +CG1_GB1_21 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 177 393 CG1_GB1_21 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 177 394 -CG1_GB1_21 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 177 395 -CG1_GB1_21 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 177 399 +CG1_GB1_21 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 177 395 +CG1_GB1_21 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 177 399 CG1_GB1_21 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 177 400 CG1_GB1_21 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 177 401 -CG1_GB1_21 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 177 402 +CG1_GB1_21 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 177 402 CG1_GB1_21 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 177 403 -CG1_GB1_21 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 177 404 -CG1_GB1_21 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 177 408 +CG1_GB1_21 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 177 404 +CG1_GB1_21 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 177 408 CG1_GB1_21 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 177 409 CG1_GB1_21 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 177 410 -CG1_GB1_21 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 177 411 +CG1_GB1_21 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 177 411 CG1_GB1_21 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 177 412 -CG1_GB1_21 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 177 413 -CG1_GB1_21 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 177 417 +CG1_GB1_21 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 177 413 +CG1_GB1_21 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 177 417 CG1_GB1_21 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 177 418 -CG1_GB1_21 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 177 419 -CG1_GB1_21 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 177 423 -CG1_GB1_21 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 177 425 +CG1_GB1_21 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 177 419 +CG1_GB1_21 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 177 423 +CG1_GB1_21 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 177 425 CG1_GB1_21 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 177 426 -CG1_GB1_21 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 177 427 -CG1_GB1_21 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 177 434 -CG1_GB1_21 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 177 435 +CG1_GB1_21 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 177 427 +CG1_GB1_21 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 177 434 +CG1_GB1_21 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 177 435 CG1_GB1_21 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 177 436 -CG1_GB1_21 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 177 437 -CG1_GB1_21 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 177 441 -CG1_GB1_21 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 177 443 +CG1_GB1_21 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 177 437 +CG1_GB1_21 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 177 441 +CG1_GB1_21 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 177 443 CG1_GB1_21 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 177 444 -CG1_GB1_21 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 177 445 -CG1_GB1_21 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 177 455 +CG1_GB1_21 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 177 445 +CG1_GB1_21 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 177 455 CG1_GB1_21 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 177 456 -CG1_GB1_21 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 177 457 -CG1_GB1_21 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 177 461 -CG1_GB1_21 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 177 463 +CG1_GB1_21 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 177 457 +CG1_GB1_21 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 177 461 +CG1_GB1_21 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 177 463 CG1_GB1_21 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 177 464 -CG1_GB1_21 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 177 465 -CG1_GB1_21 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 177 471 +CG1_GB1_21 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 177 465 +CG1_GB1_21 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 177 471 CG1_GB1_21 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 177 472 -CG1_GB1_21 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 177 473 -CG1_GB1_21 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 177 477 -CG1_GB1_21 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 177 479 +CG1_GB1_21 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 177 473 +CG1_GB1_21 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 177 477 +CG1_GB1_21 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 177 479 CG1_GB1_21 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 177 480 -CG1_GB1_21 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 177 481 -CG1_GB1_21 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 177 486 +CG1_GB1_21 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 177 481 +CG1_GB1_21 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 177 486 CG1_GB1_21 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 177 487 CG1_GB1_21 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 177 488 -CG1_GB1_21 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 177 489 +CG1_GB1_21 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 177 489 CG1_GB1_21 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 177 490 CG1_GB1_21 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 177 491 -CG2_GB1_21 C_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 178 179 +CG2_GB1_21 C_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 178 179 CG2_GB1_21 O_GB1_21 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 178 180 -CG2_GB1_21 N_GB1_22 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 178 181 -CG2_GB1_21 CG_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 178 185 +CG2_GB1_21 N_GB1_22 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 178 181 +CG2_GB1_21 CG_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 178 185 CG2_GB1_21 OD1_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 178 186 CG2_GB1_21 OD2_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 178 187 -CG2_GB1_21 C_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 178 188 +CG2_GB1_21 C_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 178 188 CG2_GB1_21 O_GB1_22 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 178 189 -CG2_GB1_21 N_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 178 190 -CG2_GB1_21 C_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 178 194 +CG2_GB1_21 N_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 178 190 +CG2_GB1_21 C_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 178 194 CG2_GB1_21 O_GB1_23 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 178 195 -CG2_GB1_21 N_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 178 196 -CG2_GB1_21 C_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 178 200 +CG2_GB1_21 N_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 178 196 +CG2_GB1_21 C_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 178 200 CG2_GB1_21 O_GB1_24 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 178 201 -CG2_GB1_21 N_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 178 202 -CG2_GB1_21 OG1_GB1_25 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 178 206 -CG2_GB1_21 C_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 178 208 +CG2_GB1_21 N_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 178 202 +CG2_GB1_21 OG1_GB1_25 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 178 206 +CG2_GB1_21 C_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 178 208 CG2_GB1_21 O_GB1_25 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 178 209 -CG2_GB1_21 N_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 178 210 -CG2_GB1_21 C_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 178 214 +CG2_GB1_21 N_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 178 210 +CG2_GB1_21 C_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 178 214 CG2_GB1_21 O_GB1_26 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 178 215 -CG2_GB1_21 N_GB1_27 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 178 216 -CG2_GB1_21 CD_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 178 221 +CG2_GB1_21 N_GB1_27 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 178 216 +CG2_GB1_21 CD_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 178 221 CG2_GB1_21 OE1_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 178 222 CG2_GB1_21 OE2_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 178 223 -CG2_GB1_21 C_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 178 224 +CG2_GB1_21 C_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 178 224 CG2_GB1_21 O_GB1_27 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 178 225 -CG2_GB1_21 N_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 178 226 -CG2_GB1_21 NZ_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 178 233 -CG2_GB1_21 C_GB1_28 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 178 234 +CG2_GB1_21 N_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 178 226 +CG2_GB1_21 NZ_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 178 233 +CG2_GB1_21 C_GB1_28 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 178 234 CG2_GB1_21 O_GB1_28 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 178 235 -CG2_GB1_21 N_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 178 236 -CG2_GB1_21 C_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 178 242 +CG2_GB1_21 N_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 178 236 +CG2_GB1_21 C_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 178 242 CG2_GB1_21 O_GB1_29 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 178 243 -CG2_GB1_21 N_GB1_30 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 178 244 -CG2_GB1_21 C_GB1_30 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 178 254 +CG2_GB1_21 N_GB1_30 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 178 244 +CG2_GB1_21 C_GB1_30 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 178 254 CG2_GB1_21 O_GB1_30 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 178 255 -CG2_GB1_21 N_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 178 256 -CG2_GB1_21 NZ_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 178 263 -CG2_GB1_21 C_GB1_31 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 178 264 +CG2_GB1_21 N_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 178 256 +CG2_GB1_21 NZ_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 178 263 +CG2_GB1_21 C_GB1_31 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 178 264 CG2_GB1_21 O_GB1_31 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 178 265 -CG2_GB1_21 N_GB1_32 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 178 266 -CG2_GB1_21 CD_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 178 271 +CG2_GB1_21 N_GB1_32 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 178 266 +CG2_GB1_21 CD_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 178 271 CG2_GB1_21 OE1_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 178 272 -CG2_GB1_21 NE2_GB1_32 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 178 273 -CG2_GB1_21 C_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 178 274 +CG2_GB1_21 NE2_GB1_32 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 178 273 +CG2_GB1_21 C_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 178 274 CG2_GB1_21 O_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 178 275 -CG2_GB1_21 N_GB1_33 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 178 276 -CG2_GB1_21 OH_GB1_33 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 178 286 -CG2_GB1_21 C_GB1_33 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 178 287 +CG2_GB1_21 N_GB1_33 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 178 276 +CG2_GB1_21 OH_GB1_33 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 178 286 +CG2_GB1_21 C_GB1_33 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 178 287 CG2_GB1_21 O_GB1_33 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 178 288 -CG2_GB1_21 N_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 178 289 -CG2_GB1_21 C_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 178 293 +CG2_GB1_21 N_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 178 289 +CG2_GB1_21 C_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 178 293 CG2_GB1_21 O_GB1_34 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 178 294 -CG2_GB1_21 N_GB1_35 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 178 295 -CG2_GB1_21 CG_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 178 299 +CG2_GB1_21 N_GB1_35 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 178 295 +CG2_GB1_21 CG_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 178 299 CG2_GB1_21 OD1_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 178 300 -CG2_GB1_21 ND2_GB1_35 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 178 301 -CG2_GB1_21 C_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 178 302 +CG2_GB1_21 ND2_GB1_35 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 178 301 +CG2_GB1_21 C_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 178 302 CG2_GB1_21 O_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 178 303 -CG2_GB1_21 N_GB1_36 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 178 304 -CG2_GB1_21 CG_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 178 308 +CG2_GB1_21 N_GB1_36 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 178 304 +CG2_GB1_21 CG_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 178 308 CG2_GB1_21 OD1_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 178 309 CG2_GB1_21 OD2_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 178 310 -CG2_GB1_21 C_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 178 311 +CG2_GB1_21 C_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 178 311 CG2_GB1_21 O_GB1_36 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 178 312 -CG2_GB1_21 N_GB1_37 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 178 313 -CG2_GB1_21 CG_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 178 317 +CG2_GB1_21 N_GB1_37 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 178 313 +CG2_GB1_21 CG_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 178 317 CG2_GB1_21 OD1_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 178 318 -CG2_GB1_21 ND2_GB1_37 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 178 319 -CG2_GB1_21 C_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 178 320 +CG2_GB1_21 ND2_GB1_37 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 178 319 +CG2_GB1_21 C_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 178 320 CG2_GB1_21 O_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 178 321 -CG2_GB1_21 N_GB1_38 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 178 322 -CG2_GB1_21 C_GB1_38 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 178 325 +CG2_GB1_21 N_GB1_38 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 178 322 +CG2_GB1_21 C_GB1_38 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 178 325 CG2_GB1_21 O_GB1_38 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 178 326 -CG2_GB1_21 N_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 178 327 -CG2_GB1_21 C_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 178 333 +CG2_GB1_21 N_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 178 327 +CG2_GB1_21 C_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 178 333 CG2_GB1_21 O_GB1_39 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 178 334 -CG2_GB1_21 N_GB1_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 178 335 -CG2_GB1_21 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 178 339 +CG2_GB1_21 N_GB1_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 178 335 +CG2_GB1_21 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 178 339 CG2_GB1_21 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 178 340 CG2_GB1_21 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 178 341 -CG2_GB1_21 C_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 178 342 +CG2_GB1_21 C_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 178 342 CG2_GB1_21 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 178 343 -CG2_GB1_21 N_GB1_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 178 344 -CG2_GB1_21 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 178 347 +CG2_GB1_21 N_GB1_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 178 344 +CG2_GB1_21 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 178 347 CG2_GB1_21 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 178 348 -CG2_GB1_21 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 178 349 -CG2_GB1_21 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 178 354 +CG2_GB1_21 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 178 349 +CG2_GB1_21 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 178 354 CG2_GB1_21 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 178 355 CG2_GB1_21 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 178 356 -CG2_GB1_21 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 178 357 +CG2_GB1_21 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 178 357 CG2_GB1_21 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 178 358 -CG2_GB1_21 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 178 359 -CG2_GB1_21 NE1_GB1_43 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.0 1.0 1.0 1.0 False mg 7 178 366 -CG2_GB1_21 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 178 372 +CG2_GB1_21 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 178 359 +CG2_GB1_21 NE1_GB1_43 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.0 1.0 1.0 1.0 False mg 7 178 366 +CG2_GB1_21 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 178 372 CG2_GB1_21 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 178 373 -CG2_GB1_21 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 178 374 -CG2_GB1_21 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 178 378 -CG2_GB1_21 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 178 380 +CG2_GB1_21 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 178 374 +CG2_GB1_21 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 178 378 +CG2_GB1_21 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 178 380 CG2_GB1_21 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 178 381 -CG2_GB1_21 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 178 382 -CG2_GB1_21 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 178 392 -CG2_GB1_21 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 178 393 +CG2_GB1_21 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 178 382 +CG2_GB1_21 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 178 392 +CG2_GB1_21 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 178 393 CG2_GB1_21 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 178 394 -CG2_GB1_21 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 178 395 -CG2_GB1_21 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 178 399 +CG2_GB1_21 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 178 395 +CG2_GB1_21 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 178 399 CG2_GB1_21 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 178 400 CG2_GB1_21 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 178 401 -CG2_GB1_21 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 178 402 +CG2_GB1_21 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 178 402 CG2_GB1_21 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 178 403 -CG2_GB1_21 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 178 404 -CG2_GB1_21 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 178 408 +CG2_GB1_21 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 178 404 +CG2_GB1_21 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 178 408 CG2_GB1_21 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 178 409 CG2_GB1_21 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 178 410 -CG2_GB1_21 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 178 411 +CG2_GB1_21 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 178 411 CG2_GB1_21 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 178 412 -CG2_GB1_21 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 178 413 -CG2_GB1_21 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 178 417 +CG2_GB1_21 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 178 413 +CG2_GB1_21 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 178 417 CG2_GB1_21 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 178 418 -CG2_GB1_21 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 178 419 -CG2_GB1_21 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 178 423 -CG2_GB1_21 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 178 425 +CG2_GB1_21 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 178 419 +CG2_GB1_21 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 178 423 +CG2_GB1_21 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 178 425 CG2_GB1_21 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 178 426 -CG2_GB1_21 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 178 427 -CG2_GB1_21 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 178 434 -CG2_GB1_21 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 178 435 +CG2_GB1_21 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 178 427 +CG2_GB1_21 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 178 434 +CG2_GB1_21 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 178 435 CG2_GB1_21 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 178 436 -CG2_GB1_21 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 178 437 -CG2_GB1_21 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 178 441 -CG2_GB1_21 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 178 443 +CG2_GB1_21 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 178 437 +CG2_GB1_21 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 178 441 +CG2_GB1_21 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 178 443 CG2_GB1_21 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 178 444 -CG2_GB1_21 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 178 445 -CG2_GB1_21 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 178 455 +CG2_GB1_21 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 178 445 +CG2_GB1_21 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 178 455 CG2_GB1_21 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 178 456 -CG2_GB1_21 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 178 457 -CG2_GB1_21 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 178 461 -CG2_GB1_21 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 178 463 +CG2_GB1_21 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 178 457 +CG2_GB1_21 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 178 461 +CG2_GB1_21 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 178 463 CG2_GB1_21 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 178 464 -CG2_GB1_21 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 178 465 -CG2_GB1_21 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 178 471 +CG2_GB1_21 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 178 465 +CG2_GB1_21 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 178 471 CG2_GB1_21 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 178 472 -CG2_GB1_21 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 178 473 -CG2_GB1_21 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 178 477 -CG2_GB1_21 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 178 479 +CG2_GB1_21 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 178 473 +CG2_GB1_21 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 178 477 +CG2_GB1_21 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 178 479 CG2_GB1_21 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 178 480 -CG2_GB1_21 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 178 481 -CG2_GB1_21 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 178 486 +CG2_GB1_21 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 178 481 +CG2_GB1_21 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 178 486 CG2_GB1_21 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 178 487 CG2_GB1_21 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 178 488 -CG2_GB1_21 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 178 489 +CG2_GB1_21 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 178 489 CG2_GB1_21 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 178 490 CG2_GB1_21 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 178 491 - C_GB1_21 CB_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 179 184 - C_GB1_21 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 179 193 - C_GB1_21 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 179 199 - C_GB1_21 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 179 205 - C_GB1_21 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 179 207 - C_GB1_21 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 179 213 - C_GB1_21 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 179 219 - C_GB1_21 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 179 220 - C_GB1_21 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 179 229 - C_GB1_21 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 179 230 - C_GB1_21 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 179 231 - C_GB1_21 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 179 232 - C_GB1_21 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 179 239 - C_GB1_21 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 179 240 - C_GB1_21 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 179 241 - C_GB1_21 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 179 247 - C_GB1_21 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 179 259 - C_GB1_21 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 179 260 - C_GB1_21 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 179 261 - C_GB1_21 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 179 262 - C_GB1_21 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 179 269 - C_GB1_21 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 179 270 - C_GB1_21 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 179 279 - C_GB1_21 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 179 292 - C_GB1_21 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 179 298 - C_GB1_21 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 179 307 - C_GB1_21 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 179 316 - C_GB1_21 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 179 324 - C_GB1_21 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 179 330 - C_GB1_21 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 179 331 - C_GB1_21 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 179 332 - C_GB1_21 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 179 338 - C_GB1_21 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 179 346 - C_GB1_21 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 179 352 - C_GB1_21 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 179 353 - C_GB1_21 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 179 362 - C_GB1_21 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 179 377 - C_GB1_21 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 179 379 - C_GB1_21 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 179 385 - C_GB1_21 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 179 398 - C_GB1_21 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 179 407 - C_GB1_21 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 179 416 - C_GB1_21 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 179 422 - C_GB1_21 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 179 424 - C_GB1_21 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 179 430 - C_GB1_21 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 179 431 - C_GB1_21 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 179 432 - C_GB1_21 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 179 433 - C_GB1_21 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 179 440 - C_GB1_21 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 179 442 - C_GB1_21 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 179 448 - C_GB1_21 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 179 460 - C_GB1_21 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 179 462 - C_GB1_21 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 179 468 - C_GB1_21 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 179 469 - C_GB1_21 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 179 470 - C_GB1_21 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 179 476 - C_GB1_21 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 179 478 - C_GB1_21 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 179 484 - C_GB1_21 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 179 485 + C_GB1_21 CB_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 179 184 + C_GB1_21 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 179 193 + C_GB1_21 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 179 199 + C_GB1_21 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 179 205 + C_GB1_21 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 179 207 + C_GB1_21 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 179 213 + C_GB1_21 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 179 219 + C_GB1_21 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 179 220 + C_GB1_21 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 179 229 + C_GB1_21 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 179 230 + C_GB1_21 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 179 231 + C_GB1_21 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 179 232 + C_GB1_21 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 179 239 + C_GB1_21 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 179 240 + C_GB1_21 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 179 241 + C_GB1_21 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 179 247 + C_GB1_21 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 179 259 + C_GB1_21 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 179 260 + C_GB1_21 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 179 261 + C_GB1_21 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 179 262 + C_GB1_21 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 179 269 + C_GB1_21 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 179 270 + C_GB1_21 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 179 279 + C_GB1_21 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 179 292 + C_GB1_21 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 179 298 + C_GB1_21 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 179 307 + C_GB1_21 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 179 316 + C_GB1_21 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 179 324 + C_GB1_21 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 179 330 + C_GB1_21 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 179 331 + C_GB1_21 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 179 332 + C_GB1_21 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 179 338 + C_GB1_21 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 179 346 + C_GB1_21 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 179 352 + C_GB1_21 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 179 353 + C_GB1_21 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 179 362 + C_GB1_21 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 179 377 + C_GB1_21 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 179 379 + C_GB1_21 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 179 385 + C_GB1_21 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 179 398 + C_GB1_21 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 179 407 + C_GB1_21 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 179 416 + C_GB1_21 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 179 422 + C_GB1_21 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 179 424 + C_GB1_21 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 179 430 + C_GB1_21 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 179 431 + C_GB1_21 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 179 432 + C_GB1_21 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 179 433 + C_GB1_21 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 179 440 + C_GB1_21 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 179 442 + C_GB1_21 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 179 448 + C_GB1_21 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 179 460 + C_GB1_21 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 179 462 + C_GB1_21 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 179 468 + C_GB1_21 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 179 469 + C_GB1_21 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 179 470 + C_GB1_21 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 179 476 + C_GB1_21 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 179 478 + C_GB1_21 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 179 484 + C_GB1_21 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 179 485 O_GB1_21 O_GB1_21 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 180 180 O_GB1_21 H_GB1_22 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 180 182 O_GB1_21 CB_GB1_22 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 180 184 @@ -23502,66 +23502,66 @@ CG2_GB1_21 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- O_GB1_21 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 180 488 O_GB1_21 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 180 490 O_GB1_21 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 180 491 - N_GB1_22 CB_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 181 184 - N_GB1_22 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 181 193 - N_GB1_22 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 181 199 - N_GB1_22 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 181 205 - N_GB1_22 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 181 207 - N_GB1_22 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 181 213 - N_GB1_22 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 181 219 - N_GB1_22 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 181 220 - N_GB1_22 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 181 229 - N_GB1_22 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 181 230 - N_GB1_22 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 181 231 - N_GB1_22 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 181 232 - N_GB1_22 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 181 239 - N_GB1_22 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 181 240 - N_GB1_22 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 181 241 - N_GB1_22 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 181 247 - N_GB1_22 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 181 259 - N_GB1_22 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 181 260 - N_GB1_22 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 181 261 - N_GB1_22 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 181 262 - N_GB1_22 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 181 269 - N_GB1_22 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 181 270 - N_GB1_22 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 181 279 - N_GB1_22 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 181 292 - N_GB1_22 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 181 298 - N_GB1_22 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 181 307 - N_GB1_22 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 181 316 - N_GB1_22 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 181 324 - N_GB1_22 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 181 330 - N_GB1_22 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 181 331 - N_GB1_22 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 181 332 - N_GB1_22 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 181 338 - N_GB1_22 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 181 346 - N_GB1_22 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 181 352 - N_GB1_22 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 181 353 - N_GB1_22 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 181 362 - N_GB1_22 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 181 377 - N_GB1_22 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 181 379 - N_GB1_22 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 181 385 - N_GB1_22 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 181 398 - N_GB1_22 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 181 407 - N_GB1_22 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 181 416 - N_GB1_22 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 181 422 - N_GB1_22 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 181 424 - N_GB1_22 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 181 430 - N_GB1_22 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 181 431 - N_GB1_22 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 181 432 - N_GB1_22 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 181 433 - N_GB1_22 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 181 440 - N_GB1_22 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 181 442 - N_GB1_22 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 181 448 - N_GB1_22 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 181 460 - N_GB1_22 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 181 462 - N_GB1_22 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 181 468 - N_GB1_22 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 181 469 - N_GB1_22 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 181 470 - N_GB1_22 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 181 476 - N_GB1_22 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 181 478 - N_GB1_22 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 181 484 - N_GB1_22 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 181 485 + N_GB1_22 CB_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 181 184 + N_GB1_22 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 181 193 + N_GB1_22 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 181 199 + N_GB1_22 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 181 205 + N_GB1_22 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 181 207 + N_GB1_22 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 181 213 + N_GB1_22 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 181 219 + N_GB1_22 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 181 220 + N_GB1_22 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 181 229 + N_GB1_22 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 181 230 + N_GB1_22 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 181 231 + N_GB1_22 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 181 232 + N_GB1_22 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 181 239 + N_GB1_22 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 181 240 + N_GB1_22 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 181 241 + N_GB1_22 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 181 247 + N_GB1_22 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 181 259 + N_GB1_22 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 181 260 + N_GB1_22 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 181 261 + N_GB1_22 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 181 262 + N_GB1_22 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 181 269 + N_GB1_22 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 181 270 + N_GB1_22 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 181 279 + N_GB1_22 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 181 292 + N_GB1_22 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 181 298 + N_GB1_22 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 181 307 + N_GB1_22 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 181 316 + N_GB1_22 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 181 324 + N_GB1_22 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 181 330 + N_GB1_22 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 181 331 + N_GB1_22 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 181 332 + N_GB1_22 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 181 338 + N_GB1_22 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 181 346 + N_GB1_22 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 181 352 + N_GB1_22 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 181 353 + N_GB1_22 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 181 362 + N_GB1_22 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 181 377 + N_GB1_22 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 181 379 + N_GB1_22 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 181 385 + N_GB1_22 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 181 398 + N_GB1_22 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 181 407 + N_GB1_22 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 181 416 + N_GB1_22 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 181 422 + N_GB1_22 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 181 424 + N_GB1_22 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 181 430 + N_GB1_22 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 181 431 + N_GB1_22 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 181 432 + N_GB1_22 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 181 433 + N_GB1_22 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 181 440 + N_GB1_22 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 181 442 + N_GB1_22 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 181 448 + N_GB1_22 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 181 460 + N_GB1_22 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 181 462 + N_GB1_22 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 181 468 + N_GB1_22 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 181 469 + N_GB1_22 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 181 470 + N_GB1_22 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 181 476 + N_GB1_22 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 181 478 + N_GB1_22 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 181 484 + N_GB1_22 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 181 485 H_GB1_22 H_GB1_22 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 182 182 H_GB1_22 OD1_GB1_22 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 182 186 H_GB1_22 OD2_GB1_22 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 182 187 @@ -23660,215 +23660,215 @@ CG2_GB1_21 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- H_GB1_22 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 182 488 H_GB1_22 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 182 490 H_GB1_22 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 182 491 - CB_GB1_22 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 184 185 - CB_GB1_22 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 184 186 - CB_GB1_22 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 184 187 - CB_GB1_22 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 184 188 + CB_GB1_22 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 184 185 + CB_GB1_22 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 184 186 + CB_GB1_22 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 184 187 + CB_GB1_22 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 184 188 CB_GB1_22 O_GB1_22 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 184 189 - CB_GB1_22 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 184 190 - CB_GB1_22 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 184 194 + CB_GB1_22 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 184 190 + CB_GB1_22 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 184 194 CB_GB1_22 O_GB1_23 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 184 195 - CB_GB1_22 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 184 196 - CB_GB1_22 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 184 200 + CB_GB1_22 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 184 196 + CB_GB1_22 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 184 200 CB_GB1_22 O_GB1_24 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 184 201 - CB_GB1_22 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 184 202 - CB_GB1_22 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 184 206 - CB_GB1_22 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 184 208 + CB_GB1_22 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 184 202 + CB_GB1_22 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 184 206 + CB_GB1_22 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 184 208 CB_GB1_22 O_GB1_25 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 184 209 - CB_GB1_22 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 184 210 - CB_GB1_22 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 184 214 + CB_GB1_22 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 184 210 + CB_GB1_22 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 184 214 CB_GB1_22 O_GB1_26 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 184 215 - CB_GB1_22 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 184 216 - CB_GB1_22 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 184 221 - CB_GB1_22 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 184 222 - CB_GB1_22 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 184 223 - CB_GB1_22 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 184 224 + CB_GB1_22 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 184 216 + CB_GB1_22 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 184 221 + CB_GB1_22 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 184 222 + CB_GB1_22 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 184 223 + CB_GB1_22 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 184 224 CB_GB1_22 O_GB1_27 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 184 225 - CB_GB1_22 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 184 226 - CB_GB1_22 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 184 233 - CB_GB1_22 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 184 234 + CB_GB1_22 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 184 226 + CB_GB1_22 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 184 233 + CB_GB1_22 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 184 234 CB_GB1_22 O_GB1_28 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 184 235 - CB_GB1_22 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 184 236 - CB_GB1_22 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 184 242 + CB_GB1_22 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 184 236 + CB_GB1_22 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 184 242 CB_GB1_22 O_GB1_29 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 184 243 - CB_GB1_22 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 184 244 - CB_GB1_22 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 184 254 + CB_GB1_22 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 184 244 + CB_GB1_22 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 184 254 CB_GB1_22 O_GB1_30 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 184 255 - CB_GB1_22 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 184 256 - CB_GB1_22 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 184 263 - CB_GB1_22 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 184 264 + CB_GB1_22 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 184 256 + CB_GB1_22 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 184 263 + CB_GB1_22 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 184 264 CB_GB1_22 O_GB1_31 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 184 265 - CB_GB1_22 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 184 266 - CB_GB1_22 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 184 271 + CB_GB1_22 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 184 266 + CB_GB1_22 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 184 271 CB_GB1_22 OE1_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 184 272 - CB_GB1_22 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 184 273 - CB_GB1_22 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 184 274 + CB_GB1_22 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 184 273 + CB_GB1_22 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 184 274 CB_GB1_22 O_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 184 275 - CB_GB1_22 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 184 276 - CB_GB1_22 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 184 286 - CB_GB1_22 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 184 287 + CB_GB1_22 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 184 276 + CB_GB1_22 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 184 286 + CB_GB1_22 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 184 287 CB_GB1_22 O_GB1_33 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 184 288 - CB_GB1_22 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 184 289 - CB_GB1_22 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 184 293 + CB_GB1_22 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 184 289 + CB_GB1_22 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 184 293 CB_GB1_22 O_GB1_34 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 184 294 - CB_GB1_22 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 184 295 - CB_GB1_22 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 184 299 + CB_GB1_22 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 184 295 + CB_GB1_22 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 184 299 CB_GB1_22 OD1_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 184 300 - CB_GB1_22 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 184 301 - CB_GB1_22 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 184 302 + CB_GB1_22 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 184 301 + CB_GB1_22 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 184 302 CB_GB1_22 O_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 184 303 - CB_GB1_22 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 184 304 - CB_GB1_22 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 184 308 - CB_GB1_22 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 184 309 - CB_GB1_22 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 184 310 - CB_GB1_22 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 184 311 + CB_GB1_22 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 184 304 + CB_GB1_22 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 184 308 + CB_GB1_22 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 184 309 + CB_GB1_22 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 184 310 + CB_GB1_22 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 184 311 CB_GB1_22 O_GB1_36 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 184 312 - CB_GB1_22 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 184 313 - CB_GB1_22 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 184 317 + CB_GB1_22 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 184 313 + CB_GB1_22 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 184 317 CB_GB1_22 OD1_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 184 318 - CB_GB1_22 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 184 319 - CB_GB1_22 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 184 320 + CB_GB1_22 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 184 319 + CB_GB1_22 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 184 320 CB_GB1_22 O_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 184 321 - CB_GB1_22 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 184 322 - CB_GB1_22 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 184 325 + CB_GB1_22 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 184 322 + CB_GB1_22 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 184 325 CB_GB1_22 O_GB1_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 184 326 - CB_GB1_22 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 184 327 - CB_GB1_22 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 184 333 + CB_GB1_22 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 184 327 + CB_GB1_22 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 184 333 CB_GB1_22 O_GB1_39 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 184 334 - CB_GB1_22 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 184 335 - CB_GB1_22 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 184 339 - CB_GB1_22 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 184 340 - CB_GB1_22 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 184 341 - CB_GB1_22 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 184 342 + CB_GB1_22 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 184 335 + CB_GB1_22 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 184 339 + CB_GB1_22 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 184 340 + CB_GB1_22 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 184 341 + CB_GB1_22 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 184 342 CB_GB1_22 O_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 184 343 - CB_GB1_22 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 184 344 - CB_GB1_22 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 184 347 + CB_GB1_22 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 184 344 + CB_GB1_22 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 184 347 CB_GB1_22 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 184 348 - CB_GB1_22 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 184 349 - CB_GB1_22 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 184 354 - CB_GB1_22 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 184 355 - CB_GB1_22 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 184 356 - CB_GB1_22 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 184 357 + CB_GB1_22 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 184 349 + CB_GB1_22 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 184 354 + CB_GB1_22 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 184 355 + CB_GB1_22 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 184 356 + CB_GB1_22 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 184 357 CB_GB1_22 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 184 358 - CB_GB1_22 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 184 359 - CB_GB1_22 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 184 366 - CB_GB1_22 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 184 372 + CB_GB1_22 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 184 359 + CB_GB1_22 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 184 366 + CB_GB1_22 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 184 372 CB_GB1_22 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 184 373 - CB_GB1_22 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 184 374 - CB_GB1_22 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 184 378 - CB_GB1_22 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 184 380 + CB_GB1_22 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 184 374 + CB_GB1_22 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 184 378 + CB_GB1_22 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 184 380 CB_GB1_22 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 184 381 - CB_GB1_22 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 184 382 - CB_GB1_22 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 184 392 - CB_GB1_22 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 184 393 + CB_GB1_22 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 184 382 + CB_GB1_22 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 184 392 + CB_GB1_22 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 184 393 CB_GB1_22 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 184 394 - CB_GB1_22 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 184 395 - CB_GB1_22 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 184 399 - CB_GB1_22 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 184 400 - CB_GB1_22 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 184 401 - CB_GB1_22 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 184 402 + CB_GB1_22 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 184 395 + CB_GB1_22 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 184 399 + CB_GB1_22 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 184 400 + CB_GB1_22 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 184 401 + CB_GB1_22 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 184 402 CB_GB1_22 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 184 403 - CB_GB1_22 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 184 404 - CB_GB1_22 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 184 408 - CB_GB1_22 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 184 409 - CB_GB1_22 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 184 410 - CB_GB1_22 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 184 411 + CB_GB1_22 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 184 404 + CB_GB1_22 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 184 408 + CB_GB1_22 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 184 409 + CB_GB1_22 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 184 410 + CB_GB1_22 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 184 411 CB_GB1_22 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 184 412 - CB_GB1_22 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 184 413 - CB_GB1_22 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 184 417 + CB_GB1_22 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 184 413 + CB_GB1_22 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 184 417 CB_GB1_22 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 184 418 - CB_GB1_22 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 184 419 - CB_GB1_22 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 184 423 - CB_GB1_22 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 184 425 + CB_GB1_22 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 184 419 + CB_GB1_22 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 184 423 + CB_GB1_22 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 184 425 CB_GB1_22 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 184 426 - CB_GB1_22 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 184 427 - CB_GB1_22 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 184 434 - CB_GB1_22 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 184 435 + CB_GB1_22 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 184 427 + CB_GB1_22 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 184 434 + CB_GB1_22 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 184 435 CB_GB1_22 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 184 436 - CB_GB1_22 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 184 437 - CB_GB1_22 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 184 441 - CB_GB1_22 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 184 443 + CB_GB1_22 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 184 437 + CB_GB1_22 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 184 441 + CB_GB1_22 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 184 443 CB_GB1_22 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 184 444 - CB_GB1_22 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 184 445 - CB_GB1_22 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 184 455 + CB_GB1_22 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 184 445 + CB_GB1_22 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 184 455 CB_GB1_22 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 184 456 - CB_GB1_22 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 184 457 - CB_GB1_22 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 184 461 - CB_GB1_22 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 184 463 + CB_GB1_22 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 184 457 + CB_GB1_22 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 184 461 + CB_GB1_22 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 184 463 CB_GB1_22 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 184 464 - CB_GB1_22 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 184 465 - CB_GB1_22 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 184 471 + CB_GB1_22 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 184 465 + CB_GB1_22 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 184 471 CB_GB1_22 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 184 472 - CB_GB1_22 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 184 473 - CB_GB1_22 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 184 477 - CB_GB1_22 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 184 479 + CB_GB1_22 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 184 473 + CB_GB1_22 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 184 477 + CB_GB1_22 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 184 479 CB_GB1_22 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 184 480 - CB_GB1_22 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 184 481 - CB_GB1_22 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 184 486 - CB_GB1_22 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 184 487 - CB_GB1_22 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 184 488 - CB_GB1_22 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 184 489 - CB_GB1_22 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 184 490 - CB_GB1_22 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 184 491 - CG_GB1_22 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 185 193 - CG_GB1_22 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 185 199 - CG_GB1_22 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 185 205 - CG_GB1_22 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 185 207 - CG_GB1_22 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 185 213 - CG_GB1_22 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 185 219 - CG_GB1_22 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 185 220 - CG_GB1_22 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 185 229 - CG_GB1_22 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 185 230 - CG_GB1_22 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 185 231 - CG_GB1_22 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 185 232 - CG_GB1_22 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 185 239 - CG_GB1_22 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 185 240 - CG_GB1_22 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 185 241 - CG_GB1_22 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 185 247 - CG_GB1_22 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 185 259 - CG_GB1_22 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 185 260 - CG_GB1_22 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 185 261 - CG_GB1_22 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 185 262 - CG_GB1_22 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 185 269 - CG_GB1_22 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 185 270 - CG_GB1_22 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 185 279 - CG_GB1_22 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 185 292 - CG_GB1_22 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 185 298 - CG_GB1_22 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 185 307 - CG_GB1_22 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 185 316 - CG_GB1_22 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 185 324 - CG_GB1_22 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 185 330 - CG_GB1_22 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 185 331 - CG_GB1_22 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 185 332 - CG_GB1_22 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 185 338 - CG_GB1_22 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 185 346 - CG_GB1_22 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 185 352 - CG_GB1_22 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 185 353 - CG_GB1_22 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 185 362 - CG_GB1_22 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 185 377 - CG_GB1_22 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 185 379 - CG_GB1_22 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 185 385 - CG_GB1_22 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 185 398 - CG_GB1_22 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 185 407 - CG_GB1_22 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 185 416 - CG_GB1_22 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 185 422 - CG_GB1_22 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 185 424 - CG_GB1_22 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 185 430 - CG_GB1_22 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 185 431 - CG_GB1_22 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 185 432 - CG_GB1_22 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 185 433 - CG_GB1_22 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 185 440 - CG_GB1_22 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 185 442 - CG_GB1_22 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 185 448 - CG_GB1_22 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 185 460 - CG_GB1_22 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 185 462 - CG_GB1_22 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 185 468 - CG_GB1_22 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 185 469 - CG_GB1_22 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 185 470 - CG_GB1_22 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 185 476 - CG_GB1_22 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 185 478 - CG_GB1_22 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 185 484 - CG_GB1_22 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 185 485 + CB_GB1_22 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 184 481 + CB_GB1_22 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 184 486 + CB_GB1_22 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 184 487 + CB_GB1_22 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 184 488 + CB_GB1_22 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 184 489 + CB_GB1_22 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 184 490 + CB_GB1_22 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 184 491 + CG_GB1_22 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 185 193 + CG_GB1_22 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 185 199 + CG_GB1_22 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 185 205 + CG_GB1_22 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 185 207 + CG_GB1_22 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 185 213 + CG_GB1_22 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 185 219 + CG_GB1_22 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 185 220 + CG_GB1_22 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 185 229 + CG_GB1_22 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 185 230 + CG_GB1_22 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 185 231 + CG_GB1_22 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 185 232 + CG_GB1_22 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 185 239 + CG_GB1_22 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 185 240 + CG_GB1_22 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 185 241 + CG_GB1_22 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 185 247 + CG_GB1_22 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 185 259 + CG_GB1_22 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 185 260 + CG_GB1_22 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 185 261 + CG_GB1_22 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 185 262 + CG_GB1_22 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 185 269 + CG_GB1_22 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 185 270 + CG_GB1_22 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 185 279 + CG_GB1_22 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 185 292 + CG_GB1_22 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 185 298 + CG_GB1_22 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 185 307 + CG_GB1_22 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 185 316 + CG_GB1_22 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 185 324 + CG_GB1_22 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 185 330 + CG_GB1_22 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 185 331 + CG_GB1_22 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 185 332 + CG_GB1_22 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 185 338 + CG_GB1_22 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 185 346 + CG_GB1_22 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 185 352 + CG_GB1_22 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 185 353 + CG_GB1_22 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 185 362 + CG_GB1_22 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 185 377 + CG_GB1_22 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 185 379 + CG_GB1_22 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 185 385 + CG_GB1_22 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 185 398 + CG_GB1_22 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 185 407 + CG_GB1_22 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 185 416 + CG_GB1_22 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 185 422 + CG_GB1_22 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 185 424 + CG_GB1_22 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 185 430 + CG_GB1_22 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 185 431 + CG_GB1_22 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 185 432 + CG_GB1_22 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 185 433 + CG_GB1_22 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 185 440 + CG_GB1_22 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 185 442 + CG_GB1_22 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 185 448 + CG_GB1_22 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 185 460 + CG_GB1_22 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 185 462 + CG_GB1_22 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 185 468 + CG_GB1_22 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 185 469 + CG_GB1_22 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 185 470 + CG_GB1_22 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 185 476 + CG_GB1_22 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 185 478 + CG_GB1_22 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 185 484 + CG_GB1_22 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 185 485 OD1_GB1_22 OD1_GB1_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 186 OD1_GB1_22 OD2_GB1_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 187 OD1_GB1_22 O_GB1_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 189 @@ -23879,101 +23879,101 @@ OD1_GB1_22 H_GB1_24 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e- OD1_GB1_22 CB_GB1_24 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 186 199 OD1_GB1_22 O_GB1_24 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 201 OD1_GB1_22 H_GB1_25 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 186 203 -OD1_GB1_22 CB_GB1_25 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 186 205 +OD1_GB1_22 CB_GB1_25 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 186 205 OD1_GB1_22 CG2_GB1_25 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 186 207 OD1_GB1_22 O_GB1_25 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 209 OD1_GB1_22 H_GB1_26 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 186 211 OD1_GB1_22 CB_GB1_26 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 186 213 OD1_GB1_22 O_GB1_26 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 215 OD1_GB1_22 H_GB1_27 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 186 217 -OD1_GB1_22 CB_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 186 219 -OD1_GB1_22 CG_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 186 220 +OD1_GB1_22 CB_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 186 219 +OD1_GB1_22 CG_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 186 220 OD1_GB1_22 OE1_GB1_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 222 OD1_GB1_22 OE2_GB1_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 223 OD1_GB1_22 O_GB1_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 225 OD1_GB1_22 H_GB1_28 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 186 227 -OD1_GB1_22 CB_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 186 229 -OD1_GB1_22 CG_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 186 230 -OD1_GB1_22 CD_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 186 231 -OD1_GB1_22 CE_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 186 232 +OD1_GB1_22 CB_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 186 229 +OD1_GB1_22 CG_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 186 230 +OD1_GB1_22 CD_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 186 231 +OD1_GB1_22 CE_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 186 232 OD1_GB1_22 O_GB1_28 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 235 OD1_GB1_22 H_GB1_29 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 186 237 -OD1_GB1_22 CB_GB1_29 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 186 239 +OD1_GB1_22 CB_GB1_29 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 186 239 OD1_GB1_22 CG1_GB1_29 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 186 240 OD1_GB1_22 CG2_GB1_29 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 186 241 OD1_GB1_22 O_GB1_29 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 243 OD1_GB1_22 H_GB1_30 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 186 245 -OD1_GB1_22 CB_GB1_30 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 186 247 +OD1_GB1_22 CB_GB1_30 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 186 247 OD1_GB1_22 O_GB1_30 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 255 OD1_GB1_22 H_GB1_31 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 186 257 -OD1_GB1_22 CB_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 186 259 -OD1_GB1_22 CG_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 186 260 -OD1_GB1_22 CD_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 186 261 -OD1_GB1_22 CE_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 186 262 +OD1_GB1_22 CB_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 186 259 +OD1_GB1_22 CG_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 186 260 +OD1_GB1_22 CD_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 186 261 +OD1_GB1_22 CE_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 186 262 OD1_GB1_22 O_GB1_31 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 265 OD1_GB1_22 H_GB1_32 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 186 267 -OD1_GB1_22 CB_GB1_32 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 186 269 -OD1_GB1_22 CG_GB1_32 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 186 270 +OD1_GB1_22 CB_GB1_32 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 186 269 +OD1_GB1_22 CG_GB1_32 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 186 270 OD1_GB1_22 OE1_GB1_32 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 272 OD1_GB1_22 O_GB1_32 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 275 OD1_GB1_22 H_GB1_33 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 186 277 -OD1_GB1_22 CB_GB1_33 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 186 279 +OD1_GB1_22 CB_GB1_33 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 186 279 OD1_GB1_22 O_GB1_33 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 288 OD1_GB1_22 H_GB1_34 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 186 290 OD1_GB1_22 CB_GB1_34 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 186 292 OD1_GB1_22 O_GB1_34 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 294 OD1_GB1_22 H_GB1_35 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 186 296 -OD1_GB1_22 CB_GB1_35 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 186 298 +OD1_GB1_22 CB_GB1_35 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 186 298 OD1_GB1_22 OD1_GB1_35 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 300 OD1_GB1_22 O_GB1_35 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 303 OD1_GB1_22 H_GB1_36 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 186 305 -OD1_GB1_22 CB_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 186 307 +OD1_GB1_22 CB_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 186 307 OD1_GB1_22 OD1_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 309 OD1_GB1_22 OD2_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 310 OD1_GB1_22 O_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 312 OD1_GB1_22 H_GB1_37 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 186 314 -OD1_GB1_22 CB_GB1_37 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 186 316 +OD1_GB1_22 CB_GB1_37 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 186 316 OD1_GB1_22 OD1_GB1_37 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 318 OD1_GB1_22 O_GB1_37 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 321 OD1_GB1_22 H_GB1_38 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 186 323 -OD1_GB1_22 CA_GB1_38 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 186 324 +OD1_GB1_22 CA_GB1_38 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 186 324 OD1_GB1_22 O_GB1_38 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 326 OD1_GB1_22 H_GB1_39 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 186 328 -OD1_GB1_22 CB_GB1_39 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 186 330 +OD1_GB1_22 CB_GB1_39 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 186 330 OD1_GB1_22 CG1_GB1_39 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 186 331 OD1_GB1_22 CG2_GB1_39 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 186 332 OD1_GB1_22 O_GB1_39 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 334 OD1_GB1_22 H_GB1_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 186 336 -OD1_GB1_22 CB_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 186 338 +OD1_GB1_22 CB_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 186 338 OD1_GB1_22 OD1_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 340 OD1_GB1_22 OD2_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 341 OD1_GB1_22 O_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 343 OD1_GB1_22 H_GB1_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 186 345 -OD1_GB1_22 CA_GB1_41 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 186 346 +OD1_GB1_22 CA_GB1_41 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 186 346 OD1_GB1_22 O_GB1_41 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 348 OD1_GB1_22 H_GB1_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 186 350 -OD1_GB1_22 CB_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 186 352 -OD1_GB1_22 CG_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 186 353 +OD1_GB1_22 CB_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 186 352 +OD1_GB1_22 CG_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 186 353 OD1_GB1_22 OE1_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 355 OD1_GB1_22 OE2_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 356 OD1_GB1_22 O_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 358 OD1_GB1_22 H_GB1_43 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 186 360 -OD1_GB1_22 CB_GB1_43 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 186 362 +OD1_GB1_22 CB_GB1_43 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 186 362 OD1_GB1_22 O_GB1_43 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 373 OD1_GB1_22 H_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 186 375 -OD1_GB1_22 CB_GB1_44 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 186 377 +OD1_GB1_22 CB_GB1_44 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 186 377 OD1_GB1_22 CG2_GB1_44 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 186 379 OD1_GB1_22 O_GB1_44 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 381 OD1_GB1_22 H_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 186 383 -OD1_GB1_22 CB_GB1_45 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 186 385 +OD1_GB1_22 CB_GB1_45 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 186 385 OD1_GB1_22 O_GB1_45 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 394 OD1_GB1_22 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 186 396 -OD1_GB1_22 CB_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 186 398 +OD1_GB1_22 CB_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 186 398 OD1_GB1_22 OD1_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 400 OD1_GB1_22 OD2_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 401 OD1_GB1_22 O_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 403 OD1_GB1_22 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 186 405 -OD1_GB1_22 CB_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 186 407 +OD1_GB1_22 CB_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 186 407 OD1_GB1_22 OD1_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 409 OD1_GB1_22 OD2_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 410 OD1_GB1_22 O_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 412 @@ -23981,38 +23981,38 @@ OD1_GB1_22 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e- OD1_GB1_22 CB_GB1_48 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 186 416 OD1_GB1_22 O_GB1_48 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 418 OD1_GB1_22 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 186 420 -OD1_GB1_22 CB_GB1_49 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 186 422 +OD1_GB1_22 CB_GB1_49 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 186 422 OD1_GB1_22 CG2_GB1_49 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 186 424 OD1_GB1_22 O_GB1_49 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 426 OD1_GB1_22 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 186 428 -OD1_GB1_22 CB_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 186 430 -OD1_GB1_22 CG_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 186 431 -OD1_GB1_22 CD_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 186 432 -OD1_GB1_22 CE_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 186 433 +OD1_GB1_22 CB_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 186 430 +OD1_GB1_22 CG_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 186 431 +OD1_GB1_22 CD_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 186 432 +OD1_GB1_22 CE_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 186 433 OD1_GB1_22 O_GB1_50 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 436 OD1_GB1_22 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 186 438 -OD1_GB1_22 CB_GB1_51 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 186 440 +OD1_GB1_22 CB_GB1_51 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 186 440 OD1_GB1_22 CG2_GB1_51 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 186 442 OD1_GB1_22 O_GB1_51 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 444 OD1_GB1_22 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 186 446 -OD1_GB1_22 CB_GB1_52 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 186 448 +OD1_GB1_22 CB_GB1_52 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 186 448 OD1_GB1_22 O_GB1_52 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 456 OD1_GB1_22 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 186 458 -OD1_GB1_22 CB_GB1_53 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 186 460 +OD1_GB1_22 CB_GB1_53 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 186 460 OD1_GB1_22 CG2_GB1_53 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 186 462 OD1_GB1_22 O_GB1_53 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 464 OD1_GB1_22 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 186 466 -OD1_GB1_22 CB_GB1_54 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 186 468 +OD1_GB1_22 CB_GB1_54 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 186 468 OD1_GB1_22 CG1_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 186 469 OD1_GB1_22 CG2_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 186 470 OD1_GB1_22 O_GB1_54 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 472 OD1_GB1_22 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 186 474 -OD1_GB1_22 CB_GB1_55 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 186 476 +OD1_GB1_22 CB_GB1_55 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 186 476 OD1_GB1_22 CG2_GB1_55 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 186 478 OD1_GB1_22 O_GB1_55 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 480 OD1_GB1_22 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 186 482 -OD1_GB1_22 CB_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 186 484 -OD1_GB1_22 CG_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 186 485 +OD1_GB1_22 CB_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 186 484 +OD1_GB1_22 CG_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 186 485 OD1_GB1_22 OE1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 487 OD1_GB1_22 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 488 OD1_GB1_22 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 186 490 @@ -24026,101 +24026,101 @@ OD2_GB1_22 H_GB1_24 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e- OD2_GB1_22 CB_GB1_24 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 187 199 OD2_GB1_22 O_GB1_24 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 201 OD2_GB1_22 H_GB1_25 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 187 203 -OD2_GB1_22 CB_GB1_25 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 187 205 +OD2_GB1_22 CB_GB1_25 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 187 205 OD2_GB1_22 CG2_GB1_25 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 187 207 OD2_GB1_22 O_GB1_25 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 209 OD2_GB1_22 H_GB1_26 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 187 211 OD2_GB1_22 CB_GB1_26 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 187 213 OD2_GB1_22 O_GB1_26 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 215 OD2_GB1_22 H_GB1_27 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 187 217 -OD2_GB1_22 CB_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 187 219 -OD2_GB1_22 CG_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 187 220 +OD2_GB1_22 CB_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 187 219 +OD2_GB1_22 CG_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 187 220 OD2_GB1_22 OE1_GB1_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 222 OD2_GB1_22 OE2_GB1_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 223 OD2_GB1_22 O_GB1_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 225 OD2_GB1_22 H_GB1_28 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 187 227 -OD2_GB1_22 CB_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 187 229 -OD2_GB1_22 CG_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 187 230 -OD2_GB1_22 CD_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 187 231 -OD2_GB1_22 CE_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 187 232 +OD2_GB1_22 CB_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 187 229 +OD2_GB1_22 CG_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 187 230 +OD2_GB1_22 CD_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 187 231 +OD2_GB1_22 CE_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 187 232 OD2_GB1_22 O_GB1_28 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 235 OD2_GB1_22 H_GB1_29 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 187 237 -OD2_GB1_22 CB_GB1_29 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 187 239 +OD2_GB1_22 CB_GB1_29 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 187 239 OD2_GB1_22 CG1_GB1_29 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 187 240 OD2_GB1_22 CG2_GB1_29 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 187 241 OD2_GB1_22 O_GB1_29 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 243 OD2_GB1_22 H_GB1_30 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 187 245 -OD2_GB1_22 CB_GB1_30 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 187 247 +OD2_GB1_22 CB_GB1_30 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 187 247 OD2_GB1_22 O_GB1_30 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 255 OD2_GB1_22 H_GB1_31 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 187 257 -OD2_GB1_22 CB_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 187 259 -OD2_GB1_22 CG_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 187 260 -OD2_GB1_22 CD_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 187 261 -OD2_GB1_22 CE_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 187 262 +OD2_GB1_22 CB_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 187 259 +OD2_GB1_22 CG_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 187 260 +OD2_GB1_22 CD_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 187 261 +OD2_GB1_22 CE_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 187 262 OD2_GB1_22 O_GB1_31 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 265 OD2_GB1_22 H_GB1_32 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 187 267 -OD2_GB1_22 CB_GB1_32 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 187 269 -OD2_GB1_22 CG_GB1_32 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 187 270 +OD2_GB1_22 CB_GB1_32 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 187 269 +OD2_GB1_22 CG_GB1_32 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 187 270 OD2_GB1_22 OE1_GB1_32 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 272 OD2_GB1_22 O_GB1_32 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 275 OD2_GB1_22 H_GB1_33 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 187 277 -OD2_GB1_22 CB_GB1_33 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 187 279 +OD2_GB1_22 CB_GB1_33 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 187 279 OD2_GB1_22 O_GB1_33 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 288 OD2_GB1_22 H_GB1_34 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 187 290 OD2_GB1_22 CB_GB1_34 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 187 292 OD2_GB1_22 O_GB1_34 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 294 OD2_GB1_22 H_GB1_35 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 187 296 -OD2_GB1_22 CB_GB1_35 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 187 298 +OD2_GB1_22 CB_GB1_35 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 187 298 OD2_GB1_22 OD1_GB1_35 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 300 OD2_GB1_22 O_GB1_35 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 303 OD2_GB1_22 H_GB1_36 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 187 305 -OD2_GB1_22 CB_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 187 307 +OD2_GB1_22 CB_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 187 307 OD2_GB1_22 OD1_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 309 OD2_GB1_22 OD2_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 310 OD2_GB1_22 O_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 312 OD2_GB1_22 H_GB1_37 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 187 314 -OD2_GB1_22 CB_GB1_37 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 187 316 +OD2_GB1_22 CB_GB1_37 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 187 316 OD2_GB1_22 OD1_GB1_37 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 318 OD2_GB1_22 O_GB1_37 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 321 OD2_GB1_22 H_GB1_38 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 187 323 -OD2_GB1_22 CA_GB1_38 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 187 324 +OD2_GB1_22 CA_GB1_38 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 187 324 OD2_GB1_22 O_GB1_38 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 326 OD2_GB1_22 H_GB1_39 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 187 328 -OD2_GB1_22 CB_GB1_39 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 187 330 +OD2_GB1_22 CB_GB1_39 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 187 330 OD2_GB1_22 CG1_GB1_39 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 187 331 OD2_GB1_22 CG2_GB1_39 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 187 332 OD2_GB1_22 O_GB1_39 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 334 OD2_GB1_22 H_GB1_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 187 336 -OD2_GB1_22 CB_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 187 338 +OD2_GB1_22 CB_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 187 338 OD2_GB1_22 OD1_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 340 OD2_GB1_22 OD2_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 341 OD2_GB1_22 O_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 343 OD2_GB1_22 H_GB1_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 187 345 -OD2_GB1_22 CA_GB1_41 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 187 346 +OD2_GB1_22 CA_GB1_41 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 187 346 OD2_GB1_22 O_GB1_41 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 348 OD2_GB1_22 H_GB1_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 187 350 -OD2_GB1_22 CB_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 187 352 -OD2_GB1_22 CG_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 187 353 +OD2_GB1_22 CB_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 187 352 +OD2_GB1_22 CG_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 187 353 OD2_GB1_22 OE1_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 355 OD2_GB1_22 OE2_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 356 OD2_GB1_22 O_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 358 OD2_GB1_22 H_GB1_43 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 187 360 -OD2_GB1_22 CB_GB1_43 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 187 362 +OD2_GB1_22 CB_GB1_43 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 187 362 OD2_GB1_22 O_GB1_43 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 373 OD2_GB1_22 H_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 187 375 -OD2_GB1_22 CB_GB1_44 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 187 377 +OD2_GB1_22 CB_GB1_44 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 187 377 OD2_GB1_22 CG2_GB1_44 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 187 379 OD2_GB1_22 O_GB1_44 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 381 OD2_GB1_22 H_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 187 383 -OD2_GB1_22 CB_GB1_45 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 187 385 +OD2_GB1_22 CB_GB1_45 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 187 385 OD2_GB1_22 O_GB1_45 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 394 OD2_GB1_22 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 187 396 -OD2_GB1_22 CB_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 187 398 +OD2_GB1_22 CB_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 187 398 OD2_GB1_22 OD1_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 400 OD2_GB1_22 OD2_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 401 OD2_GB1_22 O_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 403 OD2_GB1_22 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 187 405 -OD2_GB1_22 CB_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 187 407 +OD2_GB1_22 CB_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 187 407 OD2_GB1_22 OD1_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 409 OD2_GB1_22 OD2_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 410 OD2_GB1_22 O_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 412 @@ -24128,101 +24128,101 @@ OD2_GB1_22 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e- OD2_GB1_22 CB_GB1_48 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 187 416 OD2_GB1_22 O_GB1_48 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 418 OD2_GB1_22 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 187 420 -OD2_GB1_22 CB_GB1_49 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 187 422 +OD2_GB1_22 CB_GB1_49 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 187 422 OD2_GB1_22 CG2_GB1_49 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 187 424 OD2_GB1_22 O_GB1_49 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 426 OD2_GB1_22 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 187 428 -OD2_GB1_22 CB_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 187 430 -OD2_GB1_22 CG_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 187 431 -OD2_GB1_22 CD_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 187 432 -OD2_GB1_22 CE_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 187 433 +OD2_GB1_22 CB_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 187 430 +OD2_GB1_22 CG_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 187 431 +OD2_GB1_22 CD_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 187 432 +OD2_GB1_22 CE_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 187 433 OD2_GB1_22 O_GB1_50 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 436 OD2_GB1_22 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 187 438 -OD2_GB1_22 CB_GB1_51 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 187 440 +OD2_GB1_22 CB_GB1_51 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 187 440 OD2_GB1_22 CG2_GB1_51 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 187 442 OD2_GB1_22 O_GB1_51 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 444 OD2_GB1_22 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 187 446 -OD2_GB1_22 CB_GB1_52 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 187 448 +OD2_GB1_22 CB_GB1_52 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 187 448 OD2_GB1_22 O_GB1_52 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 456 OD2_GB1_22 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 187 458 -OD2_GB1_22 CB_GB1_53 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 187 460 +OD2_GB1_22 CB_GB1_53 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 187 460 OD2_GB1_22 CG2_GB1_53 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 187 462 OD2_GB1_22 O_GB1_53 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 464 OD2_GB1_22 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 187 466 -OD2_GB1_22 CB_GB1_54 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 187 468 +OD2_GB1_22 CB_GB1_54 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 187 468 OD2_GB1_22 CG1_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 187 469 OD2_GB1_22 CG2_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 187 470 OD2_GB1_22 O_GB1_54 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 472 OD2_GB1_22 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 187 474 -OD2_GB1_22 CB_GB1_55 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 187 476 +OD2_GB1_22 CB_GB1_55 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 187 476 OD2_GB1_22 CG2_GB1_55 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 187 478 OD2_GB1_22 O_GB1_55 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 480 OD2_GB1_22 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 187 482 -OD2_GB1_22 CB_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 187 484 -OD2_GB1_22 CG_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 187 485 +OD2_GB1_22 CB_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 187 484 +OD2_GB1_22 CG_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 187 485 OD2_GB1_22 OE1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 487 OD2_GB1_22 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 488 OD2_GB1_22 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 490 OD2_GB1_22 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 187 491 - C_GB1_22 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 188 193 - C_GB1_22 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 188 199 - C_GB1_22 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 188 205 - C_GB1_22 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 188 207 - C_GB1_22 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 188 213 - C_GB1_22 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 188 219 - C_GB1_22 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 188 220 - C_GB1_22 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 188 229 - C_GB1_22 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 188 230 - C_GB1_22 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 188 231 - C_GB1_22 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 188 232 - C_GB1_22 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 188 239 - C_GB1_22 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 188 240 - C_GB1_22 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 188 241 - C_GB1_22 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 188 247 - C_GB1_22 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 188 259 - C_GB1_22 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 188 260 - C_GB1_22 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 188 261 - C_GB1_22 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 188 262 - C_GB1_22 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 188 269 - C_GB1_22 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 188 270 - C_GB1_22 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 188 279 - C_GB1_22 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 188 292 - C_GB1_22 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 188 298 - C_GB1_22 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 188 307 - C_GB1_22 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 188 316 - C_GB1_22 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 188 324 - C_GB1_22 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 188 330 - C_GB1_22 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 188 331 - C_GB1_22 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 188 332 - C_GB1_22 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 188 338 - C_GB1_22 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 188 346 - C_GB1_22 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 188 352 - C_GB1_22 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 188 353 - C_GB1_22 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 188 362 - C_GB1_22 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 188 377 - C_GB1_22 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 188 379 - C_GB1_22 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 188 385 - C_GB1_22 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 188 398 - C_GB1_22 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 188 407 - C_GB1_22 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 188 416 - C_GB1_22 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 188 422 - C_GB1_22 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 188 424 - C_GB1_22 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 188 430 - C_GB1_22 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 188 431 - C_GB1_22 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 188 432 - C_GB1_22 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 188 433 - C_GB1_22 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 188 440 - C_GB1_22 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 188 442 - C_GB1_22 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 188 448 - C_GB1_22 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 188 460 - C_GB1_22 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 188 462 - C_GB1_22 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 188 468 - C_GB1_22 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 188 469 - C_GB1_22 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 188 470 - C_GB1_22 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 188 476 - C_GB1_22 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 188 478 - C_GB1_22 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 188 484 - C_GB1_22 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 188 485 + C_GB1_22 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 188 193 + C_GB1_22 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 188 199 + C_GB1_22 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 188 205 + C_GB1_22 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 188 207 + C_GB1_22 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 188 213 + C_GB1_22 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 188 219 + C_GB1_22 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 188 220 + C_GB1_22 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 188 229 + C_GB1_22 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 188 230 + C_GB1_22 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 188 231 + C_GB1_22 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 188 232 + C_GB1_22 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 188 239 + C_GB1_22 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 188 240 + C_GB1_22 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 188 241 + C_GB1_22 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 188 247 + C_GB1_22 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 188 259 + C_GB1_22 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 188 260 + C_GB1_22 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 188 261 + C_GB1_22 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 188 262 + C_GB1_22 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 188 269 + C_GB1_22 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 188 270 + C_GB1_22 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 188 279 + C_GB1_22 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 188 292 + C_GB1_22 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 188 298 + C_GB1_22 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 188 307 + C_GB1_22 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 188 316 + C_GB1_22 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 188 324 + C_GB1_22 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 188 330 + C_GB1_22 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 188 331 + C_GB1_22 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 188 332 + C_GB1_22 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 188 338 + C_GB1_22 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 188 346 + C_GB1_22 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 188 352 + C_GB1_22 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 188 353 + C_GB1_22 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 188 362 + C_GB1_22 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 188 377 + C_GB1_22 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 188 379 + C_GB1_22 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 188 385 + C_GB1_22 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 188 398 + C_GB1_22 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 188 407 + C_GB1_22 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 188 416 + C_GB1_22 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 188 422 + C_GB1_22 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 188 424 + C_GB1_22 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 188 430 + C_GB1_22 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 188 431 + C_GB1_22 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 188 432 + C_GB1_22 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 188 433 + C_GB1_22 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 188 440 + C_GB1_22 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 188 442 + C_GB1_22 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 188 448 + C_GB1_22 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 188 460 + C_GB1_22 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 188 462 + C_GB1_22 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 188 468 + C_GB1_22 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 188 469 + C_GB1_22 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 188 470 + C_GB1_22 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 188 476 + C_GB1_22 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 188 478 + C_GB1_22 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 188 484 + C_GB1_22 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 188 485 O_GB1_22 O_GB1_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 189 189 O_GB1_22 H_GB1_23 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 189 191 O_GB1_22 CB_GB1_23 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 189 193 @@ -24369,65 +24369,65 @@ OD2_GB1_22 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- O_GB1_22 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 189 488 O_GB1_22 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 189 490 O_GB1_22 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 189 491 - N_GB1_23 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 190 193 - N_GB1_23 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 190 199 - N_GB1_23 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 190 205 - N_GB1_23 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 190 207 - N_GB1_23 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 190 213 - N_GB1_23 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 190 219 - N_GB1_23 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 190 220 - N_GB1_23 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 190 229 - N_GB1_23 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 190 230 - N_GB1_23 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 190 231 - N_GB1_23 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 190 232 - N_GB1_23 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 190 239 - N_GB1_23 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 190 240 - N_GB1_23 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 190 241 - N_GB1_23 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 190 247 - N_GB1_23 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 190 259 - N_GB1_23 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 190 260 - N_GB1_23 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 190 261 - N_GB1_23 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 190 262 - N_GB1_23 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 190 269 - N_GB1_23 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 190 270 - N_GB1_23 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 190 279 - N_GB1_23 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 190 292 - N_GB1_23 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 190 298 - N_GB1_23 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 190 307 - N_GB1_23 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 190 316 - N_GB1_23 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 190 324 - N_GB1_23 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 190 330 - N_GB1_23 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 190 331 - N_GB1_23 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 190 332 - N_GB1_23 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 190 338 - N_GB1_23 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 190 346 - N_GB1_23 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 190 352 - N_GB1_23 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 190 353 - N_GB1_23 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 190 362 - N_GB1_23 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 190 377 - N_GB1_23 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 190 379 - N_GB1_23 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 190 385 - N_GB1_23 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 190 398 - N_GB1_23 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 190 407 - N_GB1_23 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 190 416 - N_GB1_23 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 190 422 - N_GB1_23 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 190 424 - N_GB1_23 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 190 430 - N_GB1_23 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 190 431 - N_GB1_23 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 190 432 - N_GB1_23 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 190 433 - N_GB1_23 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 190 440 - N_GB1_23 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 190 442 - N_GB1_23 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 190 448 - N_GB1_23 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 190 460 - N_GB1_23 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 190 462 - N_GB1_23 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 190 468 - N_GB1_23 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 190 469 - N_GB1_23 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 190 470 - N_GB1_23 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 190 476 - N_GB1_23 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 190 478 - N_GB1_23 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 190 484 - N_GB1_23 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 190 485 + N_GB1_23 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 190 193 + N_GB1_23 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 190 199 + N_GB1_23 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 190 205 + N_GB1_23 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 190 207 + N_GB1_23 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 190 213 + N_GB1_23 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 190 219 + N_GB1_23 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 190 220 + N_GB1_23 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 190 229 + N_GB1_23 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 190 230 + N_GB1_23 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 190 231 + N_GB1_23 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 190 232 + N_GB1_23 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 190 239 + N_GB1_23 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 190 240 + N_GB1_23 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 190 241 + N_GB1_23 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 190 247 + N_GB1_23 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 190 259 + N_GB1_23 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 190 260 + N_GB1_23 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 190 261 + N_GB1_23 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 190 262 + N_GB1_23 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 190 269 + N_GB1_23 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 190 270 + N_GB1_23 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 190 279 + N_GB1_23 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 190 292 + N_GB1_23 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 190 298 + N_GB1_23 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 190 307 + N_GB1_23 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 190 316 + N_GB1_23 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 190 324 + N_GB1_23 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 190 330 + N_GB1_23 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 190 331 + N_GB1_23 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 190 332 + N_GB1_23 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 190 338 + N_GB1_23 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 190 346 + N_GB1_23 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 190 352 + N_GB1_23 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 190 353 + N_GB1_23 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 190 362 + N_GB1_23 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 190 377 + N_GB1_23 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 190 379 + N_GB1_23 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 190 385 + N_GB1_23 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 190 398 + N_GB1_23 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 190 407 + N_GB1_23 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 190 416 + N_GB1_23 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 190 422 + N_GB1_23 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 190 424 + N_GB1_23 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 190 430 + N_GB1_23 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 190 431 + N_GB1_23 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 190 432 + N_GB1_23 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 190 433 + N_GB1_23 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 190 440 + N_GB1_23 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 190 442 + N_GB1_23 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 190 448 + N_GB1_23 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 190 460 + N_GB1_23 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 190 462 + N_GB1_23 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 190 468 + N_GB1_23 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 190 469 + N_GB1_23 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 190 470 + N_GB1_23 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 190 476 + N_GB1_23 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 190 478 + N_GB1_23 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 190 484 + N_GB1_23 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 190 485 H_GB1_23 H_GB1_23 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 191 191 H_GB1_23 O_GB1_23 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 191 195 H_GB1_23 H_GB1_24 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 191 197 @@ -24522,208 +24522,208 @@ OD2_GB1_22 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- H_GB1_23 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 191 488 H_GB1_23 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 191 490 H_GB1_23 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 191 491 - CB_GB1_23 C_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 193 194 + CB_GB1_23 C_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 193 194 CB_GB1_23 O_GB1_23 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 193 195 - CB_GB1_23 N_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 193 196 - CB_GB1_23 C_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 193 200 + CB_GB1_23 N_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 193 196 + CB_GB1_23 C_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 193 200 CB_GB1_23 O_GB1_24 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 193 201 - CB_GB1_23 N_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 193 202 - CB_GB1_23 OG1_GB1_25 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 193 206 - CB_GB1_23 C_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 193 208 + CB_GB1_23 N_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 193 202 + CB_GB1_23 OG1_GB1_25 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 193 206 + CB_GB1_23 C_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 193 208 CB_GB1_23 O_GB1_25 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 193 209 - CB_GB1_23 N_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 193 210 - CB_GB1_23 C_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 193 214 + CB_GB1_23 N_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 193 210 + CB_GB1_23 C_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 193 214 CB_GB1_23 O_GB1_26 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 193 215 - CB_GB1_23 N_GB1_27 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 193 216 - CB_GB1_23 CD_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 193 221 + CB_GB1_23 N_GB1_27 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 193 216 + CB_GB1_23 CD_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 193 221 CB_GB1_23 OE1_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 193 222 CB_GB1_23 OE2_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 193 223 - CB_GB1_23 C_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 193 224 + CB_GB1_23 C_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 193 224 CB_GB1_23 O_GB1_27 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 193 225 - CB_GB1_23 N_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 193 226 - CB_GB1_23 NZ_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 193 233 - CB_GB1_23 C_GB1_28 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 193 234 + CB_GB1_23 N_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 193 226 + CB_GB1_23 NZ_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 193 233 + CB_GB1_23 C_GB1_28 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 193 234 CB_GB1_23 O_GB1_28 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 193 235 - CB_GB1_23 N_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 193 236 - CB_GB1_23 C_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 193 242 + CB_GB1_23 N_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 193 236 + CB_GB1_23 C_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 193 242 CB_GB1_23 O_GB1_29 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 193 243 - CB_GB1_23 N_GB1_30 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 193 244 - CB_GB1_23 C_GB1_30 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 193 254 + CB_GB1_23 N_GB1_30 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 193 244 + CB_GB1_23 C_GB1_30 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 193 254 CB_GB1_23 O_GB1_30 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 193 255 - CB_GB1_23 N_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 193 256 - CB_GB1_23 NZ_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 193 263 - CB_GB1_23 C_GB1_31 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 193 264 + CB_GB1_23 N_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 193 256 + CB_GB1_23 NZ_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 193 263 + CB_GB1_23 C_GB1_31 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 193 264 CB_GB1_23 O_GB1_31 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 193 265 - CB_GB1_23 N_GB1_32 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 193 266 - CB_GB1_23 CD_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 193 271 + CB_GB1_23 N_GB1_32 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 193 266 + CB_GB1_23 CD_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 193 271 CB_GB1_23 OE1_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 193 272 - CB_GB1_23 NE2_GB1_32 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 193 273 - CB_GB1_23 C_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 193 274 + CB_GB1_23 NE2_GB1_32 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 193 273 + CB_GB1_23 C_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 193 274 CB_GB1_23 O_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 193 275 - CB_GB1_23 N_GB1_33 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 193 276 - CB_GB1_23 OH_GB1_33 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 193 286 - CB_GB1_23 C_GB1_33 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 193 287 + CB_GB1_23 N_GB1_33 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 193 276 + CB_GB1_23 OH_GB1_33 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 193 286 + CB_GB1_23 C_GB1_33 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 193 287 CB_GB1_23 O_GB1_33 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 193 288 - CB_GB1_23 N_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 193 289 - CB_GB1_23 C_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 193 293 + CB_GB1_23 N_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 193 289 + CB_GB1_23 C_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 193 293 CB_GB1_23 O_GB1_34 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 193 294 - CB_GB1_23 N_GB1_35 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 193 295 - CB_GB1_23 CG_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 193 299 + CB_GB1_23 N_GB1_35 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 193 295 + CB_GB1_23 CG_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 193 299 CB_GB1_23 OD1_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 193 300 - CB_GB1_23 ND2_GB1_35 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 193 301 - CB_GB1_23 C_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 193 302 + CB_GB1_23 ND2_GB1_35 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 193 301 + CB_GB1_23 C_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 193 302 CB_GB1_23 O_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 193 303 - CB_GB1_23 N_GB1_36 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 193 304 - CB_GB1_23 CG_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 193 308 + CB_GB1_23 N_GB1_36 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 193 304 + CB_GB1_23 CG_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 193 308 CB_GB1_23 OD1_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 193 309 CB_GB1_23 OD2_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 193 310 - CB_GB1_23 C_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 193 311 + CB_GB1_23 C_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 193 311 CB_GB1_23 O_GB1_36 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 193 312 - CB_GB1_23 N_GB1_37 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 193 313 - CB_GB1_23 CG_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 193 317 + CB_GB1_23 N_GB1_37 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 193 313 + CB_GB1_23 CG_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 193 317 CB_GB1_23 OD1_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 193 318 - CB_GB1_23 ND2_GB1_37 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 193 319 - CB_GB1_23 C_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 193 320 + CB_GB1_23 ND2_GB1_37 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 193 319 + CB_GB1_23 C_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 193 320 CB_GB1_23 O_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 193 321 - CB_GB1_23 N_GB1_38 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 193 322 - CB_GB1_23 C_GB1_38 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 193 325 + CB_GB1_23 N_GB1_38 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 193 322 + CB_GB1_23 C_GB1_38 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 193 325 CB_GB1_23 O_GB1_38 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 193 326 - CB_GB1_23 N_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 193 327 - CB_GB1_23 C_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 193 333 + CB_GB1_23 N_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 193 327 + CB_GB1_23 C_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 193 333 CB_GB1_23 O_GB1_39 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 193 334 - CB_GB1_23 N_GB1_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 193 335 - CB_GB1_23 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 193 339 + CB_GB1_23 N_GB1_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 193 335 + CB_GB1_23 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 193 339 CB_GB1_23 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 193 340 CB_GB1_23 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 193 341 - CB_GB1_23 C_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 193 342 + CB_GB1_23 C_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 193 342 CB_GB1_23 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 193 343 - CB_GB1_23 N_GB1_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 193 344 - CB_GB1_23 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 193 347 + CB_GB1_23 N_GB1_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 193 344 + CB_GB1_23 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 193 347 CB_GB1_23 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 193 348 - CB_GB1_23 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 193 349 - CB_GB1_23 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 193 354 + CB_GB1_23 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 193 349 + CB_GB1_23 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 193 354 CB_GB1_23 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 193 355 CB_GB1_23 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 193 356 - CB_GB1_23 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 193 357 + CB_GB1_23 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 193 357 CB_GB1_23 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 193 358 - CB_GB1_23 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 193 359 - CB_GB1_23 NE1_GB1_43 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.0 1.0 1.0 1.0 False mg 7 193 366 - CB_GB1_23 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 193 372 + CB_GB1_23 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 193 359 + CB_GB1_23 NE1_GB1_43 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.0 1.0 1.0 1.0 False mg 7 193 366 + CB_GB1_23 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 193 372 CB_GB1_23 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 193 373 - CB_GB1_23 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 193 374 - CB_GB1_23 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 193 378 - CB_GB1_23 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 193 380 + CB_GB1_23 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 193 374 + CB_GB1_23 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 193 378 + CB_GB1_23 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 193 380 CB_GB1_23 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 193 381 - CB_GB1_23 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 193 382 - CB_GB1_23 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 193 392 - CB_GB1_23 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 193 393 + CB_GB1_23 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 193 382 + CB_GB1_23 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 193 392 + CB_GB1_23 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 193 393 CB_GB1_23 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 193 394 - CB_GB1_23 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 193 395 - CB_GB1_23 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 193 399 + CB_GB1_23 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 193 395 + CB_GB1_23 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 193 399 CB_GB1_23 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 193 400 CB_GB1_23 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 193 401 - CB_GB1_23 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 193 402 + CB_GB1_23 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 193 402 CB_GB1_23 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 193 403 - CB_GB1_23 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 193 404 - CB_GB1_23 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 193 408 + CB_GB1_23 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 193 404 + CB_GB1_23 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 193 408 CB_GB1_23 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 193 409 CB_GB1_23 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 193 410 - CB_GB1_23 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 193 411 + CB_GB1_23 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 193 411 CB_GB1_23 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 193 412 - CB_GB1_23 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 193 413 - CB_GB1_23 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 193 417 + CB_GB1_23 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 193 413 + CB_GB1_23 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 193 417 CB_GB1_23 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 193 418 - CB_GB1_23 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 193 419 - CB_GB1_23 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 193 423 - CB_GB1_23 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 193 425 + CB_GB1_23 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 193 419 + CB_GB1_23 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 193 423 + CB_GB1_23 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 193 425 CB_GB1_23 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 193 426 - CB_GB1_23 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 193 427 - CB_GB1_23 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 193 434 - CB_GB1_23 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 193 435 + CB_GB1_23 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 193 427 + CB_GB1_23 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 193 434 + CB_GB1_23 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 193 435 CB_GB1_23 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 193 436 - CB_GB1_23 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 193 437 - CB_GB1_23 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 193 441 - CB_GB1_23 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 193 443 + CB_GB1_23 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 193 437 + CB_GB1_23 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 193 441 + CB_GB1_23 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 193 443 CB_GB1_23 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 193 444 - CB_GB1_23 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 193 445 - CB_GB1_23 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 193 455 + CB_GB1_23 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 193 445 + CB_GB1_23 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 193 455 CB_GB1_23 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 193 456 - CB_GB1_23 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 193 457 - CB_GB1_23 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 193 461 - CB_GB1_23 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 193 463 + CB_GB1_23 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 193 457 + CB_GB1_23 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 193 461 + CB_GB1_23 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 193 463 CB_GB1_23 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 193 464 - CB_GB1_23 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 193 465 - CB_GB1_23 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 193 471 + CB_GB1_23 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 193 465 + CB_GB1_23 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 193 471 CB_GB1_23 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 193 472 - CB_GB1_23 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 193 473 - CB_GB1_23 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 193 477 - CB_GB1_23 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 193 479 + CB_GB1_23 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 193 473 + CB_GB1_23 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 193 477 + CB_GB1_23 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 193 479 CB_GB1_23 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 193 480 - CB_GB1_23 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 193 481 - CB_GB1_23 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 193 486 + CB_GB1_23 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 193 481 + CB_GB1_23 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 193 486 CB_GB1_23 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 193 487 CB_GB1_23 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 193 488 - CB_GB1_23 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 193 489 + CB_GB1_23 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 193 489 CB_GB1_23 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 193 490 CB_GB1_23 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 193 491 - C_GB1_23 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 194 199 - C_GB1_23 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 194 205 - C_GB1_23 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 194 207 - C_GB1_23 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 194 213 - C_GB1_23 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 194 219 - C_GB1_23 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 194 220 - C_GB1_23 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 194 229 - C_GB1_23 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 194 230 - C_GB1_23 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 194 231 - C_GB1_23 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 194 232 - C_GB1_23 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 194 239 - C_GB1_23 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 194 240 - C_GB1_23 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 194 241 - C_GB1_23 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 194 247 - C_GB1_23 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 194 259 - C_GB1_23 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 194 260 - C_GB1_23 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 194 261 - C_GB1_23 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 194 262 - C_GB1_23 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 194 269 - C_GB1_23 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 194 270 - C_GB1_23 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 194 279 - C_GB1_23 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 194 292 - C_GB1_23 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 194 298 - C_GB1_23 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 194 307 - C_GB1_23 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 194 316 - C_GB1_23 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 194 324 - C_GB1_23 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 194 330 - C_GB1_23 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 194 331 - C_GB1_23 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 194 332 - C_GB1_23 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 194 338 - C_GB1_23 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 194 346 - C_GB1_23 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 194 352 - C_GB1_23 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 194 353 - C_GB1_23 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 194 362 - C_GB1_23 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 194 377 - C_GB1_23 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 194 379 - C_GB1_23 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 194 385 - C_GB1_23 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 194 398 - C_GB1_23 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 194 407 - C_GB1_23 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 194 416 - C_GB1_23 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 194 422 - C_GB1_23 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 194 424 - C_GB1_23 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 194 430 - C_GB1_23 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 194 431 - C_GB1_23 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 194 432 - C_GB1_23 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 194 433 - C_GB1_23 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 194 440 - C_GB1_23 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 194 442 - C_GB1_23 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 194 448 - C_GB1_23 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 194 460 - C_GB1_23 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 194 462 - C_GB1_23 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 194 468 - C_GB1_23 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 194 469 - C_GB1_23 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 194 470 - C_GB1_23 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 194 476 - C_GB1_23 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 194 478 - C_GB1_23 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 194 484 - C_GB1_23 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 194 485 + C_GB1_23 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 194 199 + C_GB1_23 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 194 205 + C_GB1_23 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 194 207 + C_GB1_23 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 194 213 + C_GB1_23 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 194 219 + C_GB1_23 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 194 220 + C_GB1_23 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 194 229 + C_GB1_23 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 194 230 + C_GB1_23 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 194 231 + C_GB1_23 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 194 232 + C_GB1_23 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 194 239 + C_GB1_23 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 194 240 + C_GB1_23 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 194 241 + C_GB1_23 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 194 247 + C_GB1_23 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 194 259 + C_GB1_23 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 194 260 + C_GB1_23 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 194 261 + C_GB1_23 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 194 262 + C_GB1_23 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 194 269 + C_GB1_23 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 194 270 + C_GB1_23 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 194 279 + C_GB1_23 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 194 292 + C_GB1_23 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 194 298 + C_GB1_23 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 194 307 + C_GB1_23 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 194 316 + C_GB1_23 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 194 324 + C_GB1_23 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 194 330 + C_GB1_23 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 194 331 + C_GB1_23 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 194 332 + C_GB1_23 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 194 338 + C_GB1_23 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 194 346 + C_GB1_23 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 194 352 + C_GB1_23 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 194 353 + C_GB1_23 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 194 362 + C_GB1_23 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 194 377 + C_GB1_23 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 194 379 + C_GB1_23 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 194 385 + C_GB1_23 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 194 398 + C_GB1_23 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 194 407 + C_GB1_23 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 194 416 + C_GB1_23 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 194 422 + C_GB1_23 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 194 424 + C_GB1_23 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 194 430 + C_GB1_23 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 194 431 + C_GB1_23 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 194 432 + C_GB1_23 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 194 433 + C_GB1_23 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 194 440 + C_GB1_23 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 194 442 + C_GB1_23 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 194 448 + C_GB1_23 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 194 460 + C_GB1_23 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 194 462 + C_GB1_23 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 194 468 + C_GB1_23 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 194 469 + C_GB1_23 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 194 470 + C_GB1_23 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 194 476 + C_GB1_23 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 194 478 + C_GB1_23 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 194 484 + C_GB1_23 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 194 485 O_GB1_23 O_GB1_23 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 195 195 O_GB1_23 H_GB1_24 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 195 197 O_GB1_23 CB_GB1_24 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 195 199 @@ -24867,64 +24867,64 @@ OD2_GB1_22 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- O_GB1_23 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 195 488 O_GB1_23 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 195 490 O_GB1_23 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 195 491 - N_GB1_24 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 196 199 - N_GB1_24 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 196 205 - N_GB1_24 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 196 207 - N_GB1_24 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 196 213 - N_GB1_24 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 196 219 - N_GB1_24 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 196 220 - N_GB1_24 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 196 229 - N_GB1_24 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 196 230 - N_GB1_24 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 196 231 - N_GB1_24 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 196 232 - N_GB1_24 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 196 239 - N_GB1_24 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 196 240 - N_GB1_24 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 196 241 - N_GB1_24 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 196 247 - N_GB1_24 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 196 259 - N_GB1_24 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 196 260 - N_GB1_24 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 196 261 - N_GB1_24 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 196 262 - N_GB1_24 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 196 269 - N_GB1_24 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 196 270 - N_GB1_24 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 196 279 - N_GB1_24 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 196 292 - N_GB1_24 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 196 298 - N_GB1_24 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 196 307 - N_GB1_24 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 196 316 - N_GB1_24 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 196 324 - N_GB1_24 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 196 330 - N_GB1_24 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 196 331 - N_GB1_24 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 196 332 - N_GB1_24 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 196 338 - N_GB1_24 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 196 346 - N_GB1_24 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 196 352 - N_GB1_24 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 196 353 - N_GB1_24 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 196 362 - N_GB1_24 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 196 377 - N_GB1_24 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 196 379 - N_GB1_24 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 196 385 - N_GB1_24 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 196 398 - N_GB1_24 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 196 407 - N_GB1_24 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 196 416 - N_GB1_24 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 196 422 - N_GB1_24 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 196 424 - N_GB1_24 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 196 430 - N_GB1_24 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 196 431 - N_GB1_24 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 196 432 - N_GB1_24 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 196 433 - N_GB1_24 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 196 440 - N_GB1_24 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 196 442 - N_GB1_24 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 196 448 - N_GB1_24 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 196 460 - N_GB1_24 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 196 462 - N_GB1_24 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 196 468 - N_GB1_24 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 196 469 - N_GB1_24 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 196 470 - N_GB1_24 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 196 476 - N_GB1_24 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 196 478 - N_GB1_24 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 196 484 - N_GB1_24 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 196 485 + N_GB1_24 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 196 199 + N_GB1_24 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 196 205 + N_GB1_24 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 196 207 + N_GB1_24 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 196 213 + N_GB1_24 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 196 219 + N_GB1_24 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 196 220 + N_GB1_24 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 196 229 + N_GB1_24 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 196 230 + N_GB1_24 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 196 231 + N_GB1_24 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 196 232 + N_GB1_24 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 196 239 + N_GB1_24 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 196 240 + N_GB1_24 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 196 241 + N_GB1_24 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 196 247 + N_GB1_24 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 196 259 + N_GB1_24 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 196 260 + N_GB1_24 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 196 261 + N_GB1_24 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 196 262 + N_GB1_24 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 196 269 + N_GB1_24 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 196 270 + N_GB1_24 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 196 279 + N_GB1_24 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 196 292 + N_GB1_24 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 196 298 + N_GB1_24 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 196 307 + N_GB1_24 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 196 316 + N_GB1_24 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 196 324 + N_GB1_24 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 196 330 + N_GB1_24 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 196 331 + N_GB1_24 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 196 332 + N_GB1_24 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 196 338 + N_GB1_24 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 196 346 + N_GB1_24 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 196 352 + N_GB1_24 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 196 353 + N_GB1_24 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 196 362 + N_GB1_24 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 196 377 + N_GB1_24 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 196 379 + N_GB1_24 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 196 385 + N_GB1_24 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 196 398 + N_GB1_24 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 196 407 + N_GB1_24 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 196 416 + N_GB1_24 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 196 422 + N_GB1_24 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 196 424 + N_GB1_24 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 196 430 + N_GB1_24 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 196 431 + N_GB1_24 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 196 432 + N_GB1_24 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 196 433 + N_GB1_24 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 196 440 + N_GB1_24 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 196 442 + N_GB1_24 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 196 448 + N_GB1_24 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 196 460 + N_GB1_24 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 196 462 + N_GB1_24 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 196 468 + N_GB1_24 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 196 469 + N_GB1_24 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 196 470 + N_GB1_24 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 196 476 + N_GB1_24 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 196 478 + N_GB1_24 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 196 484 + N_GB1_24 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 196 485 H_GB1_24 H_GB1_24 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 197 197 H_GB1_24 O_GB1_24 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 197 201 H_GB1_24 H_GB1_25 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 197 203 @@ -25017,204 +25017,204 @@ OD2_GB1_22 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- H_GB1_24 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 197 488 H_GB1_24 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 197 490 H_GB1_24 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 197 491 - CB_GB1_24 C_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 199 200 + CB_GB1_24 C_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 199 200 CB_GB1_24 O_GB1_24 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 199 201 - CB_GB1_24 N_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 199 202 - CB_GB1_24 OG1_GB1_25 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 199 206 - CB_GB1_24 C_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 199 208 + CB_GB1_24 N_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 199 202 + CB_GB1_24 OG1_GB1_25 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 199 206 + CB_GB1_24 C_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 199 208 CB_GB1_24 O_GB1_25 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 199 209 - CB_GB1_24 N_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 199 210 - CB_GB1_24 C_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 199 214 + CB_GB1_24 N_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 199 210 + CB_GB1_24 C_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 199 214 CB_GB1_24 O_GB1_26 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 199 215 - CB_GB1_24 N_GB1_27 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 199 216 - CB_GB1_24 CD_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 199 221 + CB_GB1_24 N_GB1_27 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 199 216 + CB_GB1_24 CD_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 199 221 CB_GB1_24 OE1_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 199 222 CB_GB1_24 OE2_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 199 223 - CB_GB1_24 C_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 199 224 + CB_GB1_24 C_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 199 224 CB_GB1_24 O_GB1_27 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 199 225 - CB_GB1_24 N_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 199 226 - CB_GB1_24 NZ_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 199 233 - CB_GB1_24 C_GB1_28 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 199 234 + CB_GB1_24 N_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 199 226 + CB_GB1_24 NZ_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 199 233 + CB_GB1_24 C_GB1_28 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 199 234 CB_GB1_24 O_GB1_28 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 199 235 - CB_GB1_24 N_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 199 236 - CB_GB1_24 C_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 199 242 + CB_GB1_24 N_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 199 236 + CB_GB1_24 C_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 199 242 CB_GB1_24 O_GB1_29 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 199 243 - CB_GB1_24 N_GB1_30 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 199 244 - CB_GB1_24 C_GB1_30 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 199 254 + CB_GB1_24 N_GB1_30 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 199 244 + CB_GB1_24 C_GB1_30 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 199 254 CB_GB1_24 O_GB1_30 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 199 255 - CB_GB1_24 N_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 199 256 - CB_GB1_24 NZ_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 199 263 - CB_GB1_24 C_GB1_31 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 199 264 + CB_GB1_24 N_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 199 256 + CB_GB1_24 NZ_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 199 263 + CB_GB1_24 C_GB1_31 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 199 264 CB_GB1_24 O_GB1_31 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 199 265 - CB_GB1_24 N_GB1_32 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 199 266 - CB_GB1_24 CD_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 199 271 + CB_GB1_24 N_GB1_32 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 199 266 + CB_GB1_24 CD_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 199 271 CB_GB1_24 OE1_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 199 272 - CB_GB1_24 NE2_GB1_32 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 199 273 - CB_GB1_24 C_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 199 274 + CB_GB1_24 NE2_GB1_32 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 199 273 + CB_GB1_24 C_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 199 274 CB_GB1_24 O_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 199 275 - CB_GB1_24 N_GB1_33 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 199 276 - CB_GB1_24 OH_GB1_33 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 199 286 - CB_GB1_24 C_GB1_33 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 199 287 + CB_GB1_24 N_GB1_33 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 199 276 + CB_GB1_24 OH_GB1_33 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 199 286 + CB_GB1_24 C_GB1_33 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 199 287 CB_GB1_24 O_GB1_33 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 199 288 - CB_GB1_24 N_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 199 289 - CB_GB1_24 C_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 199 293 + CB_GB1_24 N_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 199 289 + CB_GB1_24 C_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 199 293 CB_GB1_24 O_GB1_34 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 199 294 - CB_GB1_24 N_GB1_35 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 199 295 - CB_GB1_24 CG_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 199 299 + CB_GB1_24 N_GB1_35 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 199 295 + CB_GB1_24 CG_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 199 299 CB_GB1_24 OD1_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 199 300 - CB_GB1_24 ND2_GB1_35 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 199 301 - CB_GB1_24 C_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 199 302 + CB_GB1_24 ND2_GB1_35 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 199 301 + CB_GB1_24 C_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 199 302 CB_GB1_24 O_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 199 303 - CB_GB1_24 N_GB1_36 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 199 304 - CB_GB1_24 CG_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 199 308 + CB_GB1_24 N_GB1_36 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 199 304 + CB_GB1_24 CG_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 199 308 CB_GB1_24 OD1_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 199 309 CB_GB1_24 OD2_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 199 310 - CB_GB1_24 C_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 199 311 + CB_GB1_24 C_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 199 311 CB_GB1_24 O_GB1_36 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 199 312 - CB_GB1_24 N_GB1_37 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 199 313 - CB_GB1_24 CG_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 199 317 + CB_GB1_24 N_GB1_37 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 199 313 + CB_GB1_24 CG_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 199 317 CB_GB1_24 OD1_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 199 318 - CB_GB1_24 ND2_GB1_37 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 199 319 - CB_GB1_24 C_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 199 320 + CB_GB1_24 ND2_GB1_37 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 199 319 + CB_GB1_24 C_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 199 320 CB_GB1_24 O_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 199 321 - CB_GB1_24 N_GB1_38 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 199 322 - CB_GB1_24 C_GB1_38 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 199 325 + CB_GB1_24 N_GB1_38 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 199 322 + CB_GB1_24 C_GB1_38 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 199 325 CB_GB1_24 O_GB1_38 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 199 326 - CB_GB1_24 N_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 199 327 - CB_GB1_24 C_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 199 333 + CB_GB1_24 N_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 199 327 + CB_GB1_24 C_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 199 333 CB_GB1_24 O_GB1_39 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 199 334 - CB_GB1_24 N_GB1_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 199 335 - CB_GB1_24 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 199 339 + CB_GB1_24 N_GB1_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 199 335 + CB_GB1_24 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 199 339 CB_GB1_24 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 199 340 CB_GB1_24 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 199 341 - CB_GB1_24 C_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 199 342 + CB_GB1_24 C_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 199 342 CB_GB1_24 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 199 343 - CB_GB1_24 N_GB1_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 199 344 - CB_GB1_24 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 199 347 + CB_GB1_24 N_GB1_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 199 344 + CB_GB1_24 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 199 347 CB_GB1_24 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 199 348 - CB_GB1_24 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 199 349 - CB_GB1_24 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 199 354 + CB_GB1_24 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 199 349 + CB_GB1_24 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 199 354 CB_GB1_24 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 199 355 CB_GB1_24 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 199 356 - CB_GB1_24 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 199 357 + CB_GB1_24 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 199 357 CB_GB1_24 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 199 358 - CB_GB1_24 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 199 359 - CB_GB1_24 NE1_GB1_43 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.0 1.0 1.0 1.0 False mg 7 199 366 - CB_GB1_24 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 199 372 + CB_GB1_24 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 199 359 + CB_GB1_24 NE1_GB1_43 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.0 1.0 1.0 1.0 False mg 7 199 366 + CB_GB1_24 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 199 372 CB_GB1_24 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 199 373 - CB_GB1_24 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 199 374 - CB_GB1_24 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 199 378 - CB_GB1_24 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 199 380 + CB_GB1_24 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 199 374 + CB_GB1_24 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 199 378 + CB_GB1_24 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 199 380 CB_GB1_24 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 199 381 - CB_GB1_24 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 199 382 - CB_GB1_24 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 199 392 - CB_GB1_24 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 199 393 + CB_GB1_24 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 199 382 + CB_GB1_24 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 199 392 + CB_GB1_24 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 199 393 CB_GB1_24 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 199 394 - CB_GB1_24 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 199 395 - CB_GB1_24 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 199 399 + CB_GB1_24 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 199 395 + CB_GB1_24 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 199 399 CB_GB1_24 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 199 400 CB_GB1_24 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 199 401 - CB_GB1_24 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 199 402 + CB_GB1_24 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 199 402 CB_GB1_24 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 199 403 - CB_GB1_24 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 199 404 - CB_GB1_24 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 199 408 + CB_GB1_24 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 199 404 + CB_GB1_24 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 199 408 CB_GB1_24 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 199 409 CB_GB1_24 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 199 410 - CB_GB1_24 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 199 411 + CB_GB1_24 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 199 411 CB_GB1_24 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 199 412 - CB_GB1_24 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 199 413 - CB_GB1_24 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 199 417 + CB_GB1_24 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 199 413 + CB_GB1_24 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 199 417 CB_GB1_24 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 199 418 - CB_GB1_24 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 199 419 - CB_GB1_24 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 199 423 - CB_GB1_24 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 199 425 + CB_GB1_24 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 199 419 + CB_GB1_24 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 199 423 + CB_GB1_24 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 199 425 CB_GB1_24 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 199 426 - CB_GB1_24 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 199 427 - CB_GB1_24 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 199 434 - CB_GB1_24 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 199 435 + CB_GB1_24 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 199 427 + CB_GB1_24 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 199 434 + CB_GB1_24 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 199 435 CB_GB1_24 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 199 436 - CB_GB1_24 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 199 437 - CB_GB1_24 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 199 441 - CB_GB1_24 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 199 443 + CB_GB1_24 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 199 437 + CB_GB1_24 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 199 441 + CB_GB1_24 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 199 443 CB_GB1_24 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 199 444 - CB_GB1_24 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 199 445 - CB_GB1_24 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 199 455 + CB_GB1_24 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 199 445 + CB_GB1_24 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 199 455 CB_GB1_24 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 199 456 - CB_GB1_24 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 199 457 - CB_GB1_24 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 199 461 - CB_GB1_24 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 199 463 + CB_GB1_24 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 199 457 + CB_GB1_24 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 199 461 + CB_GB1_24 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 199 463 CB_GB1_24 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 199 464 - CB_GB1_24 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 199 465 - CB_GB1_24 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 199 471 + CB_GB1_24 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 199 465 + CB_GB1_24 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 199 471 CB_GB1_24 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 199 472 - CB_GB1_24 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 199 473 - CB_GB1_24 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 199 477 - CB_GB1_24 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 199 479 + CB_GB1_24 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 199 473 + CB_GB1_24 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 199 477 + CB_GB1_24 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 199 479 CB_GB1_24 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 199 480 - CB_GB1_24 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 199 481 - CB_GB1_24 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 199 486 + CB_GB1_24 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 199 481 + CB_GB1_24 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 199 486 CB_GB1_24 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 199 487 CB_GB1_24 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 199 488 - CB_GB1_24 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 199 489 + CB_GB1_24 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 199 489 CB_GB1_24 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 199 490 CB_GB1_24 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 199 491 - C_GB1_24 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 200 205 - C_GB1_24 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 200 207 - C_GB1_24 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 200 213 - C_GB1_24 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 200 219 - C_GB1_24 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 200 220 - C_GB1_24 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 200 229 - C_GB1_24 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 200 230 - C_GB1_24 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 200 231 - C_GB1_24 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 200 232 - C_GB1_24 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 200 239 - C_GB1_24 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 200 240 - C_GB1_24 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 200 241 - C_GB1_24 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 200 247 - C_GB1_24 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 200 259 - C_GB1_24 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 200 260 - C_GB1_24 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 200 261 - C_GB1_24 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 200 262 - C_GB1_24 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 200 269 - C_GB1_24 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 200 270 - C_GB1_24 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 200 279 - C_GB1_24 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 200 292 - C_GB1_24 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 200 298 - C_GB1_24 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 200 307 - C_GB1_24 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 200 316 - C_GB1_24 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 200 324 - C_GB1_24 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 200 330 - C_GB1_24 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 200 331 - C_GB1_24 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 200 332 - C_GB1_24 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 200 338 - C_GB1_24 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 200 346 - C_GB1_24 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 200 352 - C_GB1_24 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 200 353 - C_GB1_24 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 200 362 - C_GB1_24 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 200 377 - C_GB1_24 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 200 379 - C_GB1_24 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 200 385 - C_GB1_24 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 200 398 - C_GB1_24 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 200 407 - C_GB1_24 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 200 416 - C_GB1_24 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 200 422 - C_GB1_24 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 200 424 - C_GB1_24 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 200 430 - C_GB1_24 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 200 431 - C_GB1_24 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 200 432 - C_GB1_24 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 200 433 - C_GB1_24 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 200 440 - C_GB1_24 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 200 442 - C_GB1_24 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 200 448 - C_GB1_24 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 200 460 - C_GB1_24 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 200 462 - C_GB1_24 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 200 468 - C_GB1_24 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 200 469 - C_GB1_24 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 200 470 - C_GB1_24 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 200 476 - C_GB1_24 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 200 478 - C_GB1_24 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 200 484 - C_GB1_24 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 200 485 + C_GB1_24 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 200 205 + C_GB1_24 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 200 207 + C_GB1_24 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 200 213 + C_GB1_24 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 200 219 + C_GB1_24 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 200 220 + C_GB1_24 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 200 229 + C_GB1_24 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 200 230 + C_GB1_24 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 200 231 + C_GB1_24 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 200 232 + C_GB1_24 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 200 239 + C_GB1_24 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 200 240 + C_GB1_24 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 200 241 + C_GB1_24 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 200 247 + C_GB1_24 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 200 259 + C_GB1_24 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 200 260 + C_GB1_24 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 200 261 + C_GB1_24 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 200 262 + C_GB1_24 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 200 269 + C_GB1_24 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 200 270 + C_GB1_24 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 200 279 + C_GB1_24 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 200 292 + C_GB1_24 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 200 298 + C_GB1_24 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 200 307 + C_GB1_24 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 200 316 + C_GB1_24 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 200 324 + C_GB1_24 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 200 330 + C_GB1_24 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 200 331 + C_GB1_24 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 200 332 + C_GB1_24 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 200 338 + C_GB1_24 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 200 346 + C_GB1_24 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 200 352 + C_GB1_24 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 200 353 + C_GB1_24 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 200 362 + C_GB1_24 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 200 377 + C_GB1_24 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 200 379 + C_GB1_24 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 200 385 + C_GB1_24 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 200 398 + C_GB1_24 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 200 407 + C_GB1_24 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 200 416 + C_GB1_24 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 200 422 + C_GB1_24 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 200 424 + C_GB1_24 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 200 430 + C_GB1_24 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 200 431 + C_GB1_24 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 200 432 + C_GB1_24 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 200 433 + C_GB1_24 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 200 440 + C_GB1_24 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 200 442 + C_GB1_24 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 200 448 + C_GB1_24 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 200 460 + C_GB1_24 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 200 462 + C_GB1_24 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 200 468 + C_GB1_24 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 200 469 + C_GB1_24 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 200 470 + C_GB1_24 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 200 476 + C_GB1_24 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 200 478 + C_GB1_24 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 200 484 + C_GB1_24 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 200 485 O_GB1_24 O_GB1_24 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 201 201 O_GB1_24 H_GB1_25 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 201 203 O_GB1_24 CB_GB1_25 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 201 205 @@ -25355,63 +25355,63 @@ OD2_GB1_22 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- O_GB1_24 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 201 488 O_GB1_24 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 201 490 O_GB1_24 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 201 491 - N_GB1_25 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 202 205 - N_GB1_25 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 202 207 - N_GB1_25 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 202 213 - N_GB1_25 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 202 219 - N_GB1_25 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 202 220 - N_GB1_25 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 202 229 - N_GB1_25 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 202 230 - N_GB1_25 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 202 231 - N_GB1_25 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 202 232 - N_GB1_25 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 202 239 - N_GB1_25 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 202 240 - N_GB1_25 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 202 241 - N_GB1_25 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 202 247 - N_GB1_25 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 202 259 - N_GB1_25 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 202 260 - N_GB1_25 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 202 261 - N_GB1_25 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 202 262 - N_GB1_25 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 202 269 - N_GB1_25 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 202 270 - N_GB1_25 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 202 279 - N_GB1_25 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 202 292 - N_GB1_25 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 202 298 - N_GB1_25 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 202 307 - N_GB1_25 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 202 316 - N_GB1_25 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 202 324 - N_GB1_25 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 202 330 - N_GB1_25 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 202 331 - N_GB1_25 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 202 332 - N_GB1_25 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 202 338 - N_GB1_25 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 202 346 - N_GB1_25 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 202 352 - N_GB1_25 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 202 353 - N_GB1_25 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 202 362 - N_GB1_25 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 202 377 - N_GB1_25 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 202 379 - N_GB1_25 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 202 385 - N_GB1_25 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 202 398 - N_GB1_25 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 202 407 - N_GB1_25 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 202 416 - N_GB1_25 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 202 422 - N_GB1_25 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 202 424 - N_GB1_25 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 202 430 - N_GB1_25 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 202 431 - N_GB1_25 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 202 432 - N_GB1_25 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 202 433 - N_GB1_25 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 202 440 - N_GB1_25 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 202 442 - N_GB1_25 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 202 448 - N_GB1_25 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 202 460 - N_GB1_25 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 202 462 - N_GB1_25 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 202 468 - N_GB1_25 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 202 469 - N_GB1_25 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 202 470 - N_GB1_25 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 202 476 - N_GB1_25 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 202 478 - N_GB1_25 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 202 484 - N_GB1_25 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 202 485 + N_GB1_25 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 202 205 + N_GB1_25 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 202 207 + N_GB1_25 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 202 213 + N_GB1_25 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 202 219 + N_GB1_25 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 202 220 + N_GB1_25 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 202 229 + N_GB1_25 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 202 230 + N_GB1_25 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 202 231 + N_GB1_25 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 202 232 + N_GB1_25 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 202 239 + N_GB1_25 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 202 240 + N_GB1_25 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 202 241 + N_GB1_25 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 202 247 + N_GB1_25 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 202 259 + N_GB1_25 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 202 260 + N_GB1_25 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 202 261 + N_GB1_25 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 202 262 + N_GB1_25 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 202 269 + N_GB1_25 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 202 270 + N_GB1_25 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 202 279 + N_GB1_25 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 202 292 + N_GB1_25 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 202 298 + N_GB1_25 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 202 307 + N_GB1_25 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 202 316 + N_GB1_25 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 202 324 + N_GB1_25 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 202 330 + N_GB1_25 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 202 331 + N_GB1_25 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 202 332 + N_GB1_25 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 202 338 + N_GB1_25 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 202 346 + N_GB1_25 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 202 352 + N_GB1_25 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 202 353 + N_GB1_25 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 202 362 + N_GB1_25 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 202 377 + N_GB1_25 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 202 379 + N_GB1_25 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 202 385 + N_GB1_25 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 202 398 + N_GB1_25 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 202 407 + N_GB1_25 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 202 416 + N_GB1_25 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 202 422 + N_GB1_25 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 202 424 + N_GB1_25 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 202 430 + N_GB1_25 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 202 431 + N_GB1_25 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 202 432 + N_GB1_25 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 202 433 + N_GB1_25 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 202 440 + N_GB1_25 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 202 442 + N_GB1_25 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 202 448 + N_GB1_25 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 202 460 + N_GB1_25 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 202 462 + N_GB1_25 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 202 468 + N_GB1_25 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 202 469 + N_GB1_25 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 202 470 + N_GB1_25 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 202 476 + N_GB1_25 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 202 478 + N_GB1_25 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 202 484 + N_GB1_25 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 202 485 H_GB1_25 H_GB1_25 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 203 203 H_GB1_25 OG1_GB1_25 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 203 206 H_GB1_25 O_GB1_25 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 203 209 @@ -25502,423 +25502,423 @@ OD2_GB1_22 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- H_GB1_25 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 203 488 H_GB1_25 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 203 490 H_GB1_25 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 203 491 - CB_GB1_25 OG1_GB1_25 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 205 206 - CB_GB1_25 C_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 205 208 + CB_GB1_25 OG1_GB1_25 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 205 206 + CB_GB1_25 C_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 205 208 CB_GB1_25 O_GB1_25 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 205 209 - CB_GB1_25 N_GB1_26 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 205 210 - CB_GB1_25 C_GB1_26 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 205 214 + CB_GB1_25 N_GB1_26 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 205 210 + CB_GB1_25 C_GB1_26 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 205 214 CB_GB1_25 O_GB1_26 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 205 215 - CB_GB1_25 N_GB1_27 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 205 216 - CB_GB1_25 CD_GB1_27 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 205 221 - CB_GB1_25 OE1_GB1_27 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 205 222 - CB_GB1_25 OE2_GB1_27 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 205 223 - CB_GB1_25 C_GB1_27 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 205 224 + CB_GB1_25 N_GB1_27 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 205 216 + CB_GB1_25 CD_GB1_27 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 205 221 + CB_GB1_25 OE1_GB1_27 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 205 222 + CB_GB1_25 OE2_GB1_27 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 205 223 + CB_GB1_25 C_GB1_27 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 205 224 CB_GB1_25 O_GB1_27 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 205 225 - CB_GB1_25 N_GB1_28 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 205 226 - CB_GB1_25 NZ_GB1_28 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 205 233 - CB_GB1_25 C_GB1_28 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 205 234 + CB_GB1_25 N_GB1_28 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 205 226 + CB_GB1_25 NZ_GB1_28 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 205 233 + CB_GB1_25 C_GB1_28 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 205 234 CB_GB1_25 O_GB1_28 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 205 235 - CB_GB1_25 N_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 205 236 - CB_GB1_25 C_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 205 242 + CB_GB1_25 N_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 205 236 + CB_GB1_25 C_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 205 242 CB_GB1_25 O_GB1_29 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 205 243 - CB_GB1_25 N_GB1_30 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 205 244 - CB_GB1_25 C_GB1_30 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 205 254 + CB_GB1_25 N_GB1_30 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 205 244 + CB_GB1_25 C_GB1_30 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 205 254 CB_GB1_25 O_GB1_30 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 205 255 - CB_GB1_25 N_GB1_31 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 205 256 - CB_GB1_25 NZ_GB1_31 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 205 263 - CB_GB1_25 C_GB1_31 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 205 264 + CB_GB1_25 N_GB1_31 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 205 256 + CB_GB1_25 NZ_GB1_31 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 205 263 + CB_GB1_25 C_GB1_31 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 205 264 CB_GB1_25 O_GB1_31 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 205 265 - CB_GB1_25 N_GB1_32 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 205 266 - CB_GB1_25 CD_GB1_32 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 205 271 + CB_GB1_25 N_GB1_32 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 205 266 + CB_GB1_25 CD_GB1_32 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 205 271 CB_GB1_25 OE1_GB1_32 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 205 272 - CB_GB1_25 NE2_GB1_32 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 205 273 - CB_GB1_25 C_GB1_32 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 205 274 + CB_GB1_25 NE2_GB1_32 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 205 273 + CB_GB1_25 C_GB1_32 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 205 274 CB_GB1_25 O_GB1_32 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 205 275 - CB_GB1_25 N_GB1_33 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 205 276 - CB_GB1_25 OH_GB1_33 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 205 286 - CB_GB1_25 C_GB1_33 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 205 287 + CB_GB1_25 N_GB1_33 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 205 276 + CB_GB1_25 OH_GB1_33 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 205 286 + CB_GB1_25 C_GB1_33 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 205 287 CB_GB1_25 O_GB1_33 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 205 288 - CB_GB1_25 N_GB1_34 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 205 289 - CB_GB1_25 C_GB1_34 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 205 293 + CB_GB1_25 N_GB1_34 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 205 289 + CB_GB1_25 C_GB1_34 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 205 293 CB_GB1_25 O_GB1_34 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 205 294 - CB_GB1_25 N_GB1_35 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 205 295 - CB_GB1_25 CG_GB1_35 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 205 299 + CB_GB1_25 N_GB1_35 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 205 295 + CB_GB1_25 CG_GB1_35 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 205 299 CB_GB1_25 OD1_GB1_35 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 205 300 - CB_GB1_25 ND2_GB1_35 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 205 301 - CB_GB1_25 C_GB1_35 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 205 302 + CB_GB1_25 ND2_GB1_35 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 205 301 + CB_GB1_25 C_GB1_35 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 205 302 CB_GB1_25 O_GB1_35 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 205 303 - CB_GB1_25 N_GB1_36 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 205 304 - CB_GB1_25 CG_GB1_36 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 205 308 - CB_GB1_25 OD1_GB1_36 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 205 309 - CB_GB1_25 OD2_GB1_36 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 205 310 - CB_GB1_25 C_GB1_36 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 205 311 + CB_GB1_25 N_GB1_36 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 205 304 + CB_GB1_25 CG_GB1_36 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 205 308 + CB_GB1_25 OD1_GB1_36 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 205 309 + CB_GB1_25 OD2_GB1_36 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 205 310 + CB_GB1_25 C_GB1_36 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 205 311 CB_GB1_25 O_GB1_36 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 205 312 - CB_GB1_25 N_GB1_37 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 205 313 - CB_GB1_25 CG_GB1_37 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 205 317 + CB_GB1_25 N_GB1_37 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 205 313 + CB_GB1_25 CG_GB1_37 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 205 317 CB_GB1_25 OD1_GB1_37 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 205 318 - CB_GB1_25 ND2_GB1_37 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 205 319 - CB_GB1_25 C_GB1_37 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 205 320 + CB_GB1_25 ND2_GB1_37 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 205 319 + CB_GB1_25 C_GB1_37 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 205 320 CB_GB1_25 O_GB1_37 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 205 321 - CB_GB1_25 N_GB1_38 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 205 322 - CB_GB1_25 C_GB1_38 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 205 325 + CB_GB1_25 N_GB1_38 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 205 322 + CB_GB1_25 C_GB1_38 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 205 325 CB_GB1_25 O_GB1_38 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 205 326 - CB_GB1_25 N_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 205 327 - CB_GB1_25 C_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 205 333 + CB_GB1_25 N_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 205 327 + CB_GB1_25 C_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 205 333 CB_GB1_25 O_GB1_39 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 205 334 - CB_GB1_25 N_GB1_40 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 205 335 - CB_GB1_25 CG_GB1_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 205 339 - CB_GB1_25 OD1_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 205 340 - CB_GB1_25 OD2_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 205 341 - CB_GB1_25 C_GB1_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 205 342 + CB_GB1_25 N_GB1_40 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 205 335 + CB_GB1_25 CG_GB1_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 205 339 + CB_GB1_25 OD1_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 205 340 + CB_GB1_25 OD2_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 205 341 + CB_GB1_25 C_GB1_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 205 342 CB_GB1_25 O_GB1_40 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 205 343 - CB_GB1_25 N_GB1_41 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 205 344 - CB_GB1_25 C_GB1_41 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 205 347 + CB_GB1_25 N_GB1_41 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 205 344 + CB_GB1_25 C_GB1_41 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 205 347 CB_GB1_25 O_GB1_41 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 205 348 - CB_GB1_25 N_GB1_42 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 205 349 - CB_GB1_25 CD_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 205 354 - CB_GB1_25 OE1_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 205 355 - CB_GB1_25 OE2_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 205 356 - CB_GB1_25 C_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 205 357 + CB_GB1_25 N_GB1_42 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 205 349 + CB_GB1_25 CD_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 205 354 + CB_GB1_25 OE1_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 205 355 + CB_GB1_25 OE2_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 205 356 + CB_GB1_25 C_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 205 357 CB_GB1_25 O_GB1_42 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 205 358 - CB_GB1_25 N_GB1_43 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 205 359 - CB_GB1_25 NE1_GB1_43 1 0.000000e+00 9.937288e-06 ; 8.853117e-06 -9.937288e-06 1.0 1.0 1.0 1.0 False mg 7 205 366 - CB_GB1_25 C_GB1_43 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 205 372 + CB_GB1_25 N_GB1_43 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 205 359 + CB_GB1_25 NE1_GB1_43 1 0.000000e+00 9.937231e-06 ; 8.853066e-06 -9.937231e-06 1.0 1.0 1.0 1.0 False mg 7 205 366 + CB_GB1_25 C_GB1_43 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 205 372 CB_GB1_25 O_GB1_43 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 205 373 - CB_GB1_25 N_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 205 374 - CB_GB1_25 OG1_GB1_44 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 205 378 - CB_GB1_25 C_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 205 380 + CB_GB1_25 N_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 205 374 + CB_GB1_25 OG1_GB1_44 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 205 378 + CB_GB1_25 C_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 205 380 CB_GB1_25 O_GB1_44 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 205 381 - CB_GB1_25 N_GB1_45 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 205 382 - CB_GB1_25 OH_GB1_45 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 205 392 - CB_GB1_25 C_GB1_45 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 205 393 + CB_GB1_25 N_GB1_45 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 205 382 + CB_GB1_25 OH_GB1_45 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 205 392 + CB_GB1_25 C_GB1_45 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 205 393 CB_GB1_25 O_GB1_45 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 205 394 - CB_GB1_25 N_GB1_46 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 205 395 - CB_GB1_25 CG_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 205 399 - CB_GB1_25 OD1_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 205 400 - CB_GB1_25 OD2_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 205 401 - CB_GB1_25 C_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 205 402 + CB_GB1_25 N_GB1_46 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 205 395 + CB_GB1_25 CG_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 205 399 + CB_GB1_25 OD1_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 205 400 + CB_GB1_25 OD2_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 205 401 + CB_GB1_25 C_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 205 402 CB_GB1_25 O_GB1_46 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 205 403 - CB_GB1_25 N_GB1_47 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 205 404 - CB_GB1_25 CG_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 205 408 - CB_GB1_25 OD1_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 205 409 - CB_GB1_25 OD2_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 205 410 - CB_GB1_25 C_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 205 411 + CB_GB1_25 N_GB1_47 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 205 404 + CB_GB1_25 CG_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 205 408 + CB_GB1_25 OD1_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 205 409 + CB_GB1_25 OD2_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 205 410 + CB_GB1_25 C_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 205 411 CB_GB1_25 O_GB1_47 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 205 412 - CB_GB1_25 N_GB1_48 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 205 413 - CB_GB1_25 C_GB1_48 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 205 417 + CB_GB1_25 N_GB1_48 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 205 413 + CB_GB1_25 C_GB1_48 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 205 417 CB_GB1_25 O_GB1_48 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 205 418 - CB_GB1_25 N_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 205 419 - CB_GB1_25 OG1_GB1_49 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 205 423 - CB_GB1_25 C_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 205 425 + CB_GB1_25 N_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 205 419 + CB_GB1_25 OG1_GB1_49 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 205 423 + CB_GB1_25 C_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 205 425 CB_GB1_25 O_GB1_49 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 205 426 - CB_GB1_25 N_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 205 427 - CB_GB1_25 NZ_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 205 434 - CB_GB1_25 C_GB1_50 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 205 435 + CB_GB1_25 N_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 205 427 + CB_GB1_25 NZ_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 205 434 + CB_GB1_25 C_GB1_50 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 205 435 CB_GB1_25 O_GB1_50 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 205 436 - CB_GB1_25 N_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 205 437 - CB_GB1_25 OG1_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 205 441 - CB_GB1_25 C_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 205 443 + CB_GB1_25 N_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 205 437 + CB_GB1_25 OG1_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 205 441 + CB_GB1_25 C_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 205 443 CB_GB1_25 O_GB1_51 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 205 444 - CB_GB1_25 N_GB1_52 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 205 445 - CB_GB1_25 C_GB1_52 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 205 455 + CB_GB1_25 N_GB1_52 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 205 445 + CB_GB1_25 C_GB1_52 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 205 455 CB_GB1_25 O_GB1_52 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 205 456 - CB_GB1_25 N_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 205 457 - CB_GB1_25 OG1_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 205 461 - CB_GB1_25 C_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 205 463 + CB_GB1_25 N_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 205 457 + CB_GB1_25 OG1_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 205 461 + CB_GB1_25 C_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 205 463 CB_GB1_25 O_GB1_53 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 205 464 - CB_GB1_25 N_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 205 465 - CB_GB1_25 C_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 205 471 + CB_GB1_25 N_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 205 465 + CB_GB1_25 C_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 205 471 CB_GB1_25 O_GB1_54 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 205 472 - CB_GB1_25 N_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 205 473 - CB_GB1_25 OG1_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 205 477 - CB_GB1_25 C_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 205 479 + CB_GB1_25 N_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 205 473 + CB_GB1_25 OG1_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 205 477 + CB_GB1_25 C_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 205 479 CB_GB1_25 O_GB1_55 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 205 480 - CB_GB1_25 N_GB1_56 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 205 481 - CB_GB1_25 CD_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 205 486 - CB_GB1_25 OE1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 205 487 - CB_GB1_25 OE2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 205 488 - CB_GB1_25 C_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 205 489 - CB_GB1_25 O1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 205 490 - CB_GB1_25 O2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 205 491 -OG1_GB1_25 CG2_GB1_25 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 206 207 + CB_GB1_25 N_GB1_56 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 205 481 + CB_GB1_25 CD_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 205 486 + CB_GB1_25 OE1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 205 487 + CB_GB1_25 OE2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 205 488 + CB_GB1_25 C_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 205 489 + CB_GB1_25 O1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 205 490 + CB_GB1_25 O2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 205 491 +OG1_GB1_25 CG2_GB1_25 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 206 207 OG1_GB1_25 H_GB1_26 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 206 211 -OG1_GB1_25 CB_GB1_26 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 206 213 +OG1_GB1_25 CB_GB1_26 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 206 213 OG1_GB1_25 H_GB1_27 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 206 217 -OG1_GB1_25 CB_GB1_27 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 206 219 -OG1_GB1_25 CG_GB1_27 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 206 220 +OG1_GB1_25 CB_GB1_27 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 206 219 +OG1_GB1_25 CG_GB1_27 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 206 220 OG1_GB1_25 H_GB1_28 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 206 227 -OG1_GB1_25 CB_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 206 229 -OG1_GB1_25 CG_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 206 230 -OG1_GB1_25 CD_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 206 231 -OG1_GB1_25 CE_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 206 232 +OG1_GB1_25 CB_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 206 229 +OG1_GB1_25 CG_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 206 230 +OG1_GB1_25 CD_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 206 231 +OG1_GB1_25 CE_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 206 232 OG1_GB1_25 H_GB1_29 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 206 237 -OG1_GB1_25 CB_GB1_29 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 206 239 -OG1_GB1_25 CG1_GB1_29 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 206 240 -OG1_GB1_25 CG2_GB1_29 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 206 241 +OG1_GB1_25 CB_GB1_29 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 206 239 +OG1_GB1_25 CG1_GB1_29 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 206 240 +OG1_GB1_25 CG2_GB1_29 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 206 241 OG1_GB1_25 H_GB1_30 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 206 245 -OG1_GB1_25 CB_GB1_30 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 206 247 +OG1_GB1_25 CB_GB1_30 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 206 247 OG1_GB1_25 H_GB1_31 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 206 257 -OG1_GB1_25 CB_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 206 259 -OG1_GB1_25 CG_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 206 260 -OG1_GB1_25 CD_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 206 261 -OG1_GB1_25 CE_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 206 262 +OG1_GB1_25 CB_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 206 259 +OG1_GB1_25 CG_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 206 260 +OG1_GB1_25 CD_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 206 261 +OG1_GB1_25 CE_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 206 262 OG1_GB1_25 H_GB1_32 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 206 267 -OG1_GB1_25 CB_GB1_32 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 206 269 -OG1_GB1_25 CG_GB1_32 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 206 270 +OG1_GB1_25 CB_GB1_32 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 206 269 +OG1_GB1_25 CG_GB1_32 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 206 270 OG1_GB1_25 H_GB1_33 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 206 277 -OG1_GB1_25 CB_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 206 279 +OG1_GB1_25 CB_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 206 279 OG1_GB1_25 H_GB1_34 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 206 290 -OG1_GB1_25 CB_GB1_34 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 206 292 +OG1_GB1_25 CB_GB1_34 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 206 292 OG1_GB1_25 H_GB1_35 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 206 296 -OG1_GB1_25 CB_GB1_35 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 206 298 +OG1_GB1_25 CB_GB1_35 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 206 298 OG1_GB1_25 H_GB1_36 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 206 305 -OG1_GB1_25 CB_GB1_36 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 206 307 +OG1_GB1_25 CB_GB1_36 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 206 307 OG1_GB1_25 H_GB1_37 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 206 314 -OG1_GB1_25 CB_GB1_37 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 206 316 +OG1_GB1_25 CB_GB1_37 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 206 316 OG1_GB1_25 H_GB1_38 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 206 323 -OG1_GB1_25 CA_GB1_38 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 206 324 +OG1_GB1_25 CA_GB1_38 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 206 324 OG1_GB1_25 H_GB1_39 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 206 328 -OG1_GB1_25 CB_GB1_39 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 206 330 -OG1_GB1_25 CG1_GB1_39 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 206 331 -OG1_GB1_25 CG2_GB1_39 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 206 332 +OG1_GB1_25 CB_GB1_39 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 206 330 +OG1_GB1_25 CG1_GB1_39 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 206 331 +OG1_GB1_25 CG2_GB1_39 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 206 332 OG1_GB1_25 H_GB1_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 206 336 -OG1_GB1_25 CB_GB1_40 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 206 338 +OG1_GB1_25 CB_GB1_40 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 206 338 OG1_GB1_25 H_GB1_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 206 345 -OG1_GB1_25 CA_GB1_41 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 206 346 +OG1_GB1_25 CA_GB1_41 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 206 346 OG1_GB1_25 H_GB1_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 206 350 -OG1_GB1_25 CB_GB1_42 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 206 352 -OG1_GB1_25 CG_GB1_42 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 206 353 +OG1_GB1_25 CB_GB1_42 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 206 352 +OG1_GB1_25 CG_GB1_42 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 206 353 OG1_GB1_25 H_GB1_43 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 206 360 -OG1_GB1_25 CB_GB1_43 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 206 362 +OG1_GB1_25 CB_GB1_43 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 206 362 OG1_GB1_25 H_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 206 375 -OG1_GB1_25 CB_GB1_44 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 206 377 -OG1_GB1_25 CG2_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 206 379 +OG1_GB1_25 CB_GB1_44 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 206 377 +OG1_GB1_25 CG2_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 206 379 OG1_GB1_25 H_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 206 383 -OG1_GB1_25 CB_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 206 385 +OG1_GB1_25 CB_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 206 385 OG1_GB1_25 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 206 396 -OG1_GB1_25 CB_GB1_46 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 206 398 +OG1_GB1_25 CB_GB1_46 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 206 398 OG1_GB1_25 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 206 405 -OG1_GB1_25 CB_GB1_47 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 206 407 +OG1_GB1_25 CB_GB1_47 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 206 407 OG1_GB1_25 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 206 414 -OG1_GB1_25 CB_GB1_48 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 206 416 +OG1_GB1_25 CB_GB1_48 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 206 416 OG1_GB1_25 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 206 420 -OG1_GB1_25 CB_GB1_49 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 206 422 -OG1_GB1_25 CG2_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 206 424 +OG1_GB1_25 CB_GB1_49 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 206 422 +OG1_GB1_25 CG2_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 206 424 OG1_GB1_25 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 206 428 -OG1_GB1_25 CB_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 206 430 -OG1_GB1_25 CG_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 206 431 -OG1_GB1_25 CD_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 206 432 -OG1_GB1_25 CE_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 206 433 +OG1_GB1_25 CB_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 206 430 +OG1_GB1_25 CG_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 206 431 +OG1_GB1_25 CD_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 206 432 +OG1_GB1_25 CE_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 206 433 OG1_GB1_25 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 206 438 -OG1_GB1_25 CB_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 206 440 -OG1_GB1_25 CG2_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 206 442 +OG1_GB1_25 CB_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 206 440 +OG1_GB1_25 CG2_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 206 442 OG1_GB1_25 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 206 446 -OG1_GB1_25 CB_GB1_52 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 206 448 +OG1_GB1_25 CB_GB1_52 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 206 448 OG1_GB1_25 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 206 458 -OG1_GB1_25 CB_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 206 460 -OG1_GB1_25 CG2_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 206 462 +OG1_GB1_25 CB_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 206 460 +OG1_GB1_25 CG2_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 206 462 OG1_GB1_25 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 206 466 -OG1_GB1_25 CB_GB1_54 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 206 468 -OG1_GB1_25 CG1_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 206 469 -OG1_GB1_25 CG2_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 206 470 +OG1_GB1_25 CB_GB1_54 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 206 468 +OG1_GB1_25 CG1_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 206 469 +OG1_GB1_25 CG2_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 206 470 OG1_GB1_25 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 206 474 -OG1_GB1_25 CB_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 206 476 -OG1_GB1_25 CG2_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 206 478 +OG1_GB1_25 CB_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 206 476 +OG1_GB1_25 CG2_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 206 478 OG1_GB1_25 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 206 482 -OG1_GB1_25 CB_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 206 484 -OG1_GB1_25 CG_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 206 485 -CG2_GB1_25 C_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 207 208 +OG1_GB1_25 CB_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 206 484 +OG1_GB1_25 CG_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 206 485 +CG2_GB1_25 C_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 207 208 CG2_GB1_25 O_GB1_25 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 207 209 -CG2_GB1_25 N_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 207 210 -CG2_GB1_25 C_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 207 214 +CG2_GB1_25 N_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 207 210 +CG2_GB1_25 C_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 207 214 CG2_GB1_25 O_GB1_26 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 207 215 -CG2_GB1_25 N_GB1_27 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 207 216 -CG2_GB1_25 CD_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 207 221 +CG2_GB1_25 N_GB1_27 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 207 216 +CG2_GB1_25 CD_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 207 221 CG2_GB1_25 OE1_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 207 222 CG2_GB1_25 OE2_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 207 223 -CG2_GB1_25 C_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 207 224 +CG2_GB1_25 C_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 207 224 CG2_GB1_25 O_GB1_27 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 207 225 -CG2_GB1_25 N_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 207 226 -CG2_GB1_25 NZ_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 207 233 -CG2_GB1_25 C_GB1_28 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 207 234 +CG2_GB1_25 N_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 207 226 +CG2_GB1_25 NZ_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 207 233 +CG2_GB1_25 C_GB1_28 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 207 234 CG2_GB1_25 O_GB1_28 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 207 235 -CG2_GB1_25 N_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 207 236 -CG2_GB1_25 C_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 207 242 +CG2_GB1_25 N_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 207 236 +CG2_GB1_25 C_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 207 242 CG2_GB1_25 O_GB1_29 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 207 243 -CG2_GB1_25 N_GB1_30 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 207 244 -CG2_GB1_25 C_GB1_30 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 207 254 +CG2_GB1_25 N_GB1_30 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 207 244 +CG2_GB1_25 C_GB1_30 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 207 254 CG2_GB1_25 O_GB1_30 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 207 255 -CG2_GB1_25 N_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 207 256 -CG2_GB1_25 NZ_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 207 263 -CG2_GB1_25 C_GB1_31 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 207 264 +CG2_GB1_25 N_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 207 256 +CG2_GB1_25 NZ_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 207 263 +CG2_GB1_25 C_GB1_31 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 207 264 CG2_GB1_25 O_GB1_31 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 207 265 -CG2_GB1_25 N_GB1_32 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 207 266 -CG2_GB1_25 CD_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 207 271 +CG2_GB1_25 N_GB1_32 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 207 266 +CG2_GB1_25 CD_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 207 271 CG2_GB1_25 OE1_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 207 272 -CG2_GB1_25 NE2_GB1_32 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 207 273 -CG2_GB1_25 C_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 207 274 +CG2_GB1_25 NE2_GB1_32 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 207 273 +CG2_GB1_25 C_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 207 274 CG2_GB1_25 O_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 207 275 -CG2_GB1_25 N_GB1_33 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 207 276 -CG2_GB1_25 OH_GB1_33 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 207 286 -CG2_GB1_25 C_GB1_33 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 207 287 +CG2_GB1_25 N_GB1_33 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 207 276 +CG2_GB1_25 OH_GB1_33 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 207 286 +CG2_GB1_25 C_GB1_33 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 207 287 CG2_GB1_25 O_GB1_33 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 207 288 -CG2_GB1_25 N_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 207 289 -CG2_GB1_25 C_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 207 293 +CG2_GB1_25 N_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 207 289 +CG2_GB1_25 C_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 207 293 CG2_GB1_25 O_GB1_34 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 207 294 -CG2_GB1_25 N_GB1_35 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 207 295 -CG2_GB1_25 CG_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 207 299 +CG2_GB1_25 N_GB1_35 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 207 295 +CG2_GB1_25 CG_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 207 299 CG2_GB1_25 OD1_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 207 300 -CG2_GB1_25 ND2_GB1_35 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 207 301 -CG2_GB1_25 C_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 207 302 +CG2_GB1_25 ND2_GB1_35 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 207 301 +CG2_GB1_25 C_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 207 302 CG2_GB1_25 O_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 207 303 -CG2_GB1_25 N_GB1_36 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 207 304 -CG2_GB1_25 CG_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 207 308 +CG2_GB1_25 N_GB1_36 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 207 304 +CG2_GB1_25 CG_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 207 308 CG2_GB1_25 OD1_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 207 309 CG2_GB1_25 OD2_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 207 310 -CG2_GB1_25 C_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 207 311 +CG2_GB1_25 C_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 207 311 CG2_GB1_25 O_GB1_36 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 207 312 -CG2_GB1_25 N_GB1_37 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 207 313 -CG2_GB1_25 CG_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 207 317 +CG2_GB1_25 N_GB1_37 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 207 313 +CG2_GB1_25 CG_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 207 317 CG2_GB1_25 OD1_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 207 318 -CG2_GB1_25 ND2_GB1_37 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 207 319 -CG2_GB1_25 C_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 207 320 +CG2_GB1_25 ND2_GB1_37 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 207 319 +CG2_GB1_25 C_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 207 320 CG2_GB1_25 O_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 207 321 -CG2_GB1_25 N_GB1_38 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 207 322 -CG2_GB1_25 C_GB1_38 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 207 325 +CG2_GB1_25 N_GB1_38 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 207 322 +CG2_GB1_25 C_GB1_38 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 207 325 CG2_GB1_25 O_GB1_38 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 207 326 -CG2_GB1_25 N_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 207 327 -CG2_GB1_25 C_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 207 333 +CG2_GB1_25 N_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 207 327 +CG2_GB1_25 C_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 207 333 CG2_GB1_25 O_GB1_39 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 207 334 -CG2_GB1_25 N_GB1_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 207 335 -CG2_GB1_25 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 207 339 +CG2_GB1_25 N_GB1_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 207 335 +CG2_GB1_25 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 207 339 CG2_GB1_25 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 207 340 CG2_GB1_25 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 207 341 -CG2_GB1_25 C_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 207 342 +CG2_GB1_25 C_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 207 342 CG2_GB1_25 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 207 343 -CG2_GB1_25 N_GB1_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 207 344 -CG2_GB1_25 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 207 347 +CG2_GB1_25 N_GB1_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 207 344 +CG2_GB1_25 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 207 347 CG2_GB1_25 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 207 348 -CG2_GB1_25 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 207 349 -CG2_GB1_25 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 207 354 +CG2_GB1_25 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 207 349 +CG2_GB1_25 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 207 354 CG2_GB1_25 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 207 355 CG2_GB1_25 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 207 356 -CG2_GB1_25 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 207 357 +CG2_GB1_25 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 207 357 CG2_GB1_25 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 207 358 -CG2_GB1_25 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 207 359 -CG2_GB1_25 NE1_GB1_43 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.0 1.0 1.0 1.0 False mg 7 207 366 -CG2_GB1_25 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 207 372 +CG2_GB1_25 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 207 359 +CG2_GB1_25 NE1_GB1_43 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.0 1.0 1.0 1.0 False mg 7 207 366 +CG2_GB1_25 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 207 372 CG2_GB1_25 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 207 373 -CG2_GB1_25 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 207 374 -CG2_GB1_25 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 207 378 -CG2_GB1_25 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 207 380 +CG2_GB1_25 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 207 374 +CG2_GB1_25 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 207 378 +CG2_GB1_25 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 207 380 CG2_GB1_25 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 207 381 -CG2_GB1_25 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 207 382 -CG2_GB1_25 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 207 392 -CG2_GB1_25 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 207 393 +CG2_GB1_25 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 207 382 +CG2_GB1_25 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 207 392 +CG2_GB1_25 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 207 393 CG2_GB1_25 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 207 394 -CG2_GB1_25 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 207 395 -CG2_GB1_25 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 207 399 +CG2_GB1_25 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 207 395 +CG2_GB1_25 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 207 399 CG2_GB1_25 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 207 400 CG2_GB1_25 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 207 401 -CG2_GB1_25 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 207 402 +CG2_GB1_25 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 207 402 CG2_GB1_25 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 207 403 -CG2_GB1_25 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 207 404 -CG2_GB1_25 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 207 408 +CG2_GB1_25 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 207 404 +CG2_GB1_25 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 207 408 CG2_GB1_25 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 207 409 CG2_GB1_25 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 207 410 -CG2_GB1_25 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 207 411 +CG2_GB1_25 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 207 411 CG2_GB1_25 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 207 412 -CG2_GB1_25 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 207 413 -CG2_GB1_25 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 207 417 +CG2_GB1_25 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 207 413 +CG2_GB1_25 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 207 417 CG2_GB1_25 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 207 418 -CG2_GB1_25 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 207 419 -CG2_GB1_25 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 207 423 -CG2_GB1_25 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 207 425 +CG2_GB1_25 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 207 419 +CG2_GB1_25 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 207 423 +CG2_GB1_25 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 207 425 CG2_GB1_25 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 207 426 -CG2_GB1_25 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 207 427 -CG2_GB1_25 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 207 434 -CG2_GB1_25 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 207 435 +CG2_GB1_25 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 207 427 +CG2_GB1_25 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 207 434 +CG2_GB1_25 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 207 435 CG2_GB1_25 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 207 436 -CG2_GB1_25 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 207 437 -CG2_GB1_25 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 207 441 -CG2_GB1_25 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 207 443 +CG2_GB1_25 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 207 437 +CG2_GB1_25 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 207 441 +CG2_GB1_25 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 207 443 CG2_GB1_25 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 207 444 -CG2_GB1_25 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 207 445 -CG2_GB1_25 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 207 455 +CG2_GB1_25 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 207 445 +CG2_GB1_25 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 207 455 CG2_GB1_25 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 207 456 -CG2_GB1_25 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 207 457 -CG2_GB1_25 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 207 461 -CG2_GB1_25 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 207 463 +CG2_GB1_25 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 207 457 +CG2_GB1_25 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 207 461 +CG2_GB1_25 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 207 463 CG2_GB1_25 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 207 464 -CG2_GB1_25 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 207 465 -CG2_GB1_25 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 207 471 +CG2_GB1_25 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 207 465 +CG2_GB1_25 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 207 471 CG2_GB1_25 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 207 472 -CG2_GB1_25 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 207 473 -CG2_GB1_25 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 207 477 -CG2_GB1_25 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 207 479 +CG2_GB1_25 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 207 473 +CG2_GB1_25 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 207 477 +CG2_GB1_25 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 207 479 CG2_GB1_25 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 207 480 -CG2_GB1_25 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 207 481 -CG2_GB1_25 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 207 486 +CG2_GB1_25 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 207 481 +CG2_GB1_25 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 207 486 CG2_GB1_25 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 207 487 CG2_GB1_25 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 207 488 -CG2_GB1_25 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 207 489 +CG2_GB1_25 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 207 489 CG2_GB1_25 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 207 490 CG2_GB1_25 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 207 491 - C_GB1_25 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 208 213 - C_GB1_25 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 208 219 - C_GB1_25 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 208 220 - C_GB1_25 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 208 229 - C_GB1_25 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 208 230 - C_GB1_25 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 208 231 - C_GB1_25 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 208 232 - C_GB1_25 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 208 239 - C_GB1_25 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 208 240 - C_GB1_25 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 208 241 - C_GB1_25 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 208 247 - C_GB1_25 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 208 259 - C_GB1_25 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 208 260 - C_GB1_25 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 208 261 - C_GB1_25 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 208 262 - C_GB1_25 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 208 269 - C_GB1_25 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 208 270 - C_GB1_25 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 208 279 - C_GB1_25 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 208 292 - C_GB1_25 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 208 298 - C_GB1_25 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 208 307 - C_GB1_25 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 208 316 - C_GB1_25 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 208 324 - C_GB1_25 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 208 330 - C_GB1_25 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 208 331 - C_GB1_25 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 208 332 - C_GB1_25 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 208 338 - C_GB1_25 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 208 346 - C_GB1_25 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 208 352 - C_GB1_25 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 208 353 - C_GB1_25 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 208 362 - C_GB1_25 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 208 377 - C_GB1_25 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 208 379 - C_GB1_25 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 208 385 - C_GB1_25 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 208 398 - C_GB1_25 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 208 407 - C_GB1_25 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 208 416 - C_GB1_25 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 208 422 - C_GB1_25 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 208 424 - C_GB1_25 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 208 430 - C_GB1_25 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 208 431 - C_GB1_25 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 208 432 - C_GB1_25 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 208 433 - C_GB1_25 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 208 440 - C_GB1_25 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 208 442 - C_GB1_25 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 208 448 - C_GB1_25 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 208 460 - C_GB1_25 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 208 462 - C_GB1_25 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 208 468 - C_GB1_25 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 208 469 - C_GB1_25 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 208 470 - C_GB1_25 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 208 476 - C_GB1_25 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 208 478 - C_GB1_25 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 208 484 - C_GB1_25 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 208 485 + C_GB1_25 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 208 213 + C_GB1_25 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 208 219 + C_GB1_25 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 208 220 + C_GB1_25 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 208 229 + C_GB1_25 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 208 230 + C_GB1_25 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 208 231 + C_GB1_25 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 208 232 + C_GB1_25 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 208 239 + C_GB1_25 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 208 240 + C_GB1_25 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 208 241 + C_GB1_25 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 208 247 + C_GB1_25 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 208 259 + C_GB1_25 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 208 260 + C_GB1_25 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 208 261 + C_GB1_25 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 208 262 + C_GB1_25 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 208 269 + C_GB1_25 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 208 270 + C_GB1_25 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 208 279 + C_GB1_25 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 208 292 + C_GB1_25 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 208 298 + C_GB1_25 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 208 307 + C_GB1_25 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 208 316 + C_GB1_25 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 208 324 + C_GB1_25 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 208 330 + C_GB1_25 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 208 331 + C_GB1_25 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 208 332 + C_GB1_25 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 208 338 + C_GB1_25 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 208 346 + C_GB1_25 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 208 352 + C_GB1_25 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 208 353 + C_GB1_25 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 208 362 + C_GB1_25 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 208 377 + C_GB1_25 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 208 379 + C_GB1_25 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 208 385 + C_GB1_25 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 208 398 + C_GB1_25 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 208 407 + C_GB1_25 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 208 416 + C_GB1_25 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 208 422 + C_GB1_25 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 208 424 + C_GB1_25 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 208 430 + C_GB1_25 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 208 431 + C_GB1_25 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 208 432 + C_GB1_25 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 208 433 + C_GB1_25 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 208 440 + C_GB1_25 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 208 442 + C_GB1_25 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 208 448 + C_GB1_25 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 208 460 + C_GB1_25 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 208 462 + C_GB1_25 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 208 468 + C_GB1_25 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 208 469 + C_GB1_25 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 208 470 + C_GB1_25 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 208 476 + C_GB1_25 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 208 478 + C_GB1_25 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 208 484 + C_GB1_25 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 208 485 O_GB1_25 O_GB1_25 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 209 209 O_GB1_25 H_GB1_26 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 209 211 O_GB1_25 CB_GB1_26 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 209 213 @@ -26055,61 +26055,61 @@ CG2_GB1_25 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- O_GB1_25 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 209 488 O_GB1_25 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 209 490 O_GB1_25 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 209 491 - N_GB1_26 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 210 213 - N_GB1_26 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 210 219 - N_GB1_26 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 210 220 - N_GB1_26 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 210 229 - N_GB1_26 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 210 230 - N_GB1_26 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 210 231 - N_GB1_26 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 210 232 - N_GB1_26 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 210 239 - N_GB1_26 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 210 240 - N_GB1_26 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 210 241 - N_GB1_26 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 210 247 - N_GB1_26 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 210 259 - N_GB1_26 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 210 260 - N_GB1_26 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 210 261 - N_GB1_26 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 210 262 - N_GB1_26 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 210 269 - N_GB1_26 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 210 270 - N_GB1_26 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 210 279 - N_GB1_26 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 210 292 - N_GB1_26 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 210 298 - N_GB1_26 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 210 307 - N_GB1_26 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 210 316 - N_GB1_26 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 210 324 - N_GB1_26 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 210 330 - N_GB1_26 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 210 331 - N_GB1_26 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 210 332 - N_GB1_26 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 210 338 - N_GB1_26 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 210 346 - N_GB1_26 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 210 352 - N_GB1_26 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 210 353 - N_GB1_26 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 210 362 - N_GB1_26 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 210 377 - N_GB1_26 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 210 379 - N_GB1_26 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 210 385 - N_GB1_26 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 210 398 - N_GB1_26 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 210 407 - N_GB1_26 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 210 416 - N_GB1_26 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 210 422 - N_GB1_26 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 210 424 - N_GB1_26 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 210 430 - N_GB1_26 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 210 431 - N_GB1_26 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 210 432 - N_GB1_26 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 210 433 - N_GB1_26 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 210 440 - N_GB1_26 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 210 442 - N_GB1_26 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 210 448 - N_GB1_26 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 210 460 - N_GB1_26 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 210 462 - N_GB1_26 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 210 468 - N_GB1_26 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 210 469 - N_GB1_26 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 210 470 - N_GB1_26 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 210 476 - N_GB1_26 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 210 478 - N_GB1_26 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 210 484 - N_GB1_26 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 210 485 + N_GB1_26 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 210 213 + N_GB1_26 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 210 219 + N_GB1_26 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 210 220 + N_GB1_26 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 210 229 + N_GB1_26 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 210 230 + N_GB1_26 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 210 231 + N_GB1_26 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 210 232 + N_GB1_26 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 210 239 + N_GB1_26 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 210 240 + N_GB1_26 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 210 241 + N_GB1_26 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 210 247 + N_GB1_26 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 210 259 + N_GB1_26 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 210 260 + N_GB1_26 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 210 261 + N_GB1_26 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 210 262 + N_GB1_26 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 210 269 + N_GB1_26 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 210 270 + N_GB1_26 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 210 279 + N_GB1_26 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 210 292 + N_GB1_26 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 210 298 + N_GB1_26 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 210 307 + N_GB1_26 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 210 316 + N_GB1_26 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 210 324 + N_GB1_26 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 210 330 + N_GB1_26 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 210 331 + N_GB1_26 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 210 332 + N_GB1_26 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 210 338 + N_GB1_26 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 210 346 + N_GB1_26 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 210 352 + N_GB1_26 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 210 353 + N_GB1_26 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 210 362 + N_GB1_26 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 210 377 + N_GB1_26 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 210 379 + N_GB1_26 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 210 385 + N_GB1_26 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 210 398 + N_GB1_26 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 210 407 + N_GB1_26 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 210 416 + N_GB1_26 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 210 422 + N_GB1_26 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 210 424 + N_GB1_26 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 210 430 + N_GB1_26 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 210 431 + N_GB1_26 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 210 432 + N_GB1_26 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 210 433 + N_GB1_26 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 210 440 + N_GB1_26 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 210 442 + N_GB1_26 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 210 448 + N_GB1_26 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 210 460 + N_GB1_26 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 210 462 + N_GB1_26 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 210 468 + N_GB1_26 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 210 469 + N_GB1_26 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 210 470 + N_GB1_26 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 210 476 + N_GB1_26 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 210 478 + N_GB1_26 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 210 484 + N_GB1_26 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 210 485 H_GB1_26 H_GB1_26 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 211 211 H_GB1_26 O_GB1_26 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 211 215 H_GB1_26 H_GB1_27 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 211 217 @@ -26197,194 +26197,194 @@ CG2_GB1_25 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- H_GB1_26 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 211 488 H_GB1_26 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 211 490 H_GB1_26 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 211 491 - CB_GB1_26 C_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 213 214 + CB_GB1_26 C_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 213 214 CB_GB1_26 O_GB1_26 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 213 215 - CB_GB1_26 N_GB1_27 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 213 216 - CB_GB1_26 CD_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 213 221 + CB_GB1_26 N_GB1_27 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 213 216 + CB_GB1_26 CD_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 213 221 CB_GB1_26 OE1_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 213 222 CB_GB1_26 OE2_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 213 223 - CB_GB1_26 C_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 213 224 + CB_GB1_26 C_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 213 224 CB_GB1_26 O_GB1_27 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 213 225 - CB_GB1_26 N_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 213 226 - CB_GB1_26 NZ_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 213 233 - CB_GB1_26 C_GB1_28 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 213 234 + CB_GB1_26 N_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 213 226 + CB_GB1_26 NZ_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 213 233 + CB_GB1_26 C_GB1_28 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 213 234 CB_GB1_26 O_GB1_28 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 213 235 - CB_GB1_26 N_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 213 236 - CB_GB1_26 C_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 213 242 + CB_GB1_26 N_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 213 236 + CB_GB1_26 C_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 213 242 CB_GB1_26 O_GB1_29 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 213 243 - CB_GB1_26 N_GB1_30 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 213 244 - CB_GB1_26 C_GB1_30 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 213 254 + CB_GB1_26 N_GB1_30 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 213 244 + CB_GB1_26 C_GB1_30 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 213 254 CB_GB1_26 O_GB1_30 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 213 255 - CB_GB1_26 N_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 213 256 - CB_GB1_26 NZ_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 213 263 - CB_GB1_26 C_GB1_31 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 213 264 + CB_GB1_26 N_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 213 256 + CB_GB1_26 NZ_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 213 263 + CB_GB1_26 C_GB1_31 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 213 264 CB_GB1_26 O_GB1_31 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 213 265 - CB_GB1_26 N_GB1_32 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 213 266 - CB_GB1_26 CD_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 213 271 + CB_GB1_26 N_GB1_32 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 213 266 + CB_GB1_26 CD_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 213 271 CB_GB1_26 OE1_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 213 272 - CB_GB1_26 NE2_GB1_32 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 213 273 - CB_GB1_26 C_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 213 274 + CB_GB1_26 NE2_GB1_32 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 213 273 + CB_GB1_26 C_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 213 274 CB_GB1_26 O_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 213 275 - CB_GB1_26 N_GB1_33 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 213 276 - CB_GB1_26 OH_GB1_33 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 213 286 - CB_GB1_26 C_GB1_33 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 213 287 + CB_GB1_26 N_GB1_33 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 213 276 + CB_GB1_26 OH_GB1_33 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 213 286 + CB_GB1_26 C_GB1_33 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 213 287 CB_GB1_26 O_GB1_33 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 213 288 - CB_GB1_26 N_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 213 289 - CB_GB1_26 C_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 213 293 + CB_GB1_26 N_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 213 289 + CB_GB1_26 C_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 213 293 CB_GB1_26 O_GB1_34 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 213 294 - CB_GB1_26 N_GB1_35 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 213 295 - CB_GB1_26 CG_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 213 299 + CB_GB1_26 N_GB1_35 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 213 295 + CB_GB1_26 CG_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 213 299 CB_GB1_26 OD1_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 213 300 - CB_GB1_26 ND2_GB1_35 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 213 301 - CB_GB1_26 C_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 213 302 + CB_GB1_26 ND2_GB1_35 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 213 301 + CB_GB1_26 C_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 213 302 CB_GB1_26 O_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 213 303 - CB_GB1_26 N_GB1_36 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 213 304 - CB_GB1_26 CG_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 213 308 + CB_GB1_26 N_GB1_36 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 213 304 + CB_GB1_26 CG_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 213 308 CB_GB1_26 OD1_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 213 309 CB_GB1_26 OD2_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 213 310 - CB_GB1_26 C_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 213 311 + CB_GB1_26 C_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 213 311 CB_GB1_26 O_GB1_36 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 213 312 - CB_GB1_26 N_GB1_37 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 213 313 - CB_GB1_26 CG_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 213 317 + CB_GB1_26 N_GB1_37 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 213 313 + CB_GB1_26 CG_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 213 317 CB_GB1_26 OD1_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 213 318 - CB_GB1_26 ND2_GB1_37 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 213 319 - CB_GB1_26 C_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 213 320 + CB_GB1_26 ND2_GB1_37 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 213 319 + CB_GB1_26 C_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 213 320 CB_GB1_26 O_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 213 321 - CB_GB1_26 N_GB1_38 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 213 322 - CB_GB1_26 C_GB1_38 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 213 325 + CB_GB1_26 N_GB1_38 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 213 322 + CB_GB1_26 C_GB1_38 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 213 325 CB_GB1_26 O_GB1_38 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 213 326 - CB_GB1_26 N_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 213 327 - CB_GB1_26 C_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 213 333 + CB_GB1_26 N_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 213 327 + CB_GB1_26 C_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 213 333 CB_GB1_26 O_GB1_39 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 213 334 - CB_GB1_26 N_GB1_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 213 335 - CB_GB1_26 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 213 339 + CB_GB1_26 N_GB1_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 213 335 + CB_GB1_26 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 213 339 CB_GB1_26 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 213 340 CB_GB1_26 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 213 341 - CB_GB1_26 C_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 213 342 + CB_GB1_26 C_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 213 342 CB_GB1_26 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 213 343 - CB_GB1_26 N_GB1_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 213 344 - CB_GB1_26 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 213 347 + CB_GB1_26 N_GB1_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 213 344 + CB_GB1_26 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 213 347 CB_GB1_26 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 213 348 - CB_GB1_26 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 213 349 - CB_GB1_26 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 213 354 + CB_GB1_26 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 213 349 + CB_GB1_26 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 213 354 CB_GB1_26 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 213 355 CB_GB1_26 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 213 356 - CB_GB1_26 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 213 357 + CB_GB1_26 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 213 357 CB_GB1_26 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 213 358 - CB_GB1_26 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 213 359 - CB_GB1_26 NE1_GB1_43 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.0 1.0 1.0 1.0 False mg 7 213 366 - CB_GB1_26 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 213 372 + CB_GB1_26 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 213 359 + CB_GB1_26 NE1_GB1_43 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.0 1.0 1.0 1.0 False mg 7 213 366 + CB_GB1_26 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 213 372 CB_GB1_26 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 213 373 - CB_GB1_26 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 213 374 - CB_GB1_26 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 213 378 - CB_GB1_26 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 213 380 + CB_GB1_26 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 213 374 + CB_GB1_26 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 213 378 + CB_GB1_26 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 213 380 CB_GB1_26 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 213 381 - CB_GB1_26 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 213 382 - CB_GB1_26 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 213 392 - CB_GB1_26 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 213 393 + CB_GB1_26 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 213 382 + CB_GB1_26 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 213 392 + CB_GB1_26 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 213 393 CB_GB1_26 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 213 394 - CB_GB1_26 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 213 395 - CB_GB1_26 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 213 399 + CB_GB1_26 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 213 395 + CB_GB1_26 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 213 399 CB_GB1_26 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 213 400 CB_GB1_26 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 213 401 - CB_GB1_26 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 213 402 + CB_GB1_26 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 213 402 CB_GB1_26 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 213 403 - CB_GB1_26 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 213 404 - CB_GB1_26 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 213 408 + CB_GB1_26 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 213 404 + CB_GB1_26 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 213 408 CB_GB1_26 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 213 409 CB_GB1_26 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 213 410 - CB_GB1_26 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 213 411 + CB_GB1_26 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 213 411 CB_GB1_26 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 213 412 - CB_GB1_26 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 213 413 - CB_GB1_26 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 213 417 + CB_GB1_26 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 213 413 + CB_GB1_26 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 213 417 CB_GB1_26 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 213 418 - CB_GB1_26 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 213 419 - CB_GB1_26 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 213 423 - CB_GB1_26 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 213 425 + CB_GB1_26 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 213 419 + CB_GB1_26 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 213 423 + CB_GB1_26 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 213 425 CB_GB1_26 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 213 426 - CB_GB1_26 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 213 427 - CB_GB1_26 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 213 434 - CB_GB1_26 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 213 435 + CB_GB1_26 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 213 427 + CB_GB1_26 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 213 434 + CB_GB1_26 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 213 435 CB_GB1_26 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 213 436 - CB_GB1_26 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 213 437 - CB_GB1_26 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 213 441 - CB_GB1_26 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 213 443 + CB_GB1_26 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 213 437 + CB_GB1_26 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 213 441 + CB_GB1_26 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 213 443 CB_GB1_26 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 213 444 - CB_GB1_26 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 213 445 - CB_GB1_26 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 213 455 + CB_GB1_26 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 213 445 + CB_GB1_26 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 213 455 CB_GB1_26 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 213 456 - CB_GB1_26 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 213 457 - CB_GB1_26 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 213 461 - CB_GB1_26 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 213 463 + CB_GB1_26 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 213 457 + CB_GB1_26 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 213 461 + CB_GB1_26 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 213 463 CB_GB1_26 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 213 464 - CB_GB1_26 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 213 465 - CB_GB1_26 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 213 471 + CB_GB1_26 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 213 465 + CB_GB1_26 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 213 471 CB_GB1_26 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 213 472 - CB_GB1_26 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 213 473 - CB_GB1_26 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 213 477 - CB_GB1_26 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 213 479 + CB_GB1_26 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 213 473 + CB_GB1_26 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 213 477 + CB_GB1_26 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 213 479 CB_GB1_26 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 213 480 - CB_GB1_26 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 213 481 - CB_GB1_26 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 213 486 + CB_GB1_26 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 213 481 + CB_GB1_26 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 213 486 CB_GB1_26 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 213 487 CB_GB1_26 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 213 488 - CB_GB1_26 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 213 489 + CB_GB1_26 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 213 489 CB_GB1_26 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 213 490 CB_GB1_26 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 213 491 - C_GB1_26 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 214 219 - C_GB1_26 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 214 220 - C_GB1_26 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 214 229 - C_GB1_26 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 214 230 - C_GB1_26 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 214 231 - C_GB1_26 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 214 232 - C_GB1_26 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 214 239 - C_GB1_26 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 214 240 - C_GB1_26 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 214 241 - C_GB1_26 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 214 247 - C_GB1_26 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 214 259 - C_GB1_26 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 214 260 - C_GB1_26 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 214 261 - C_GB1_26 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 214 262 - C_GB1_26 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 214 269 - C_GB1_26 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 214 270 - C_GB1_26 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 214 279 - C_GB1_26 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 214 292 - C_GB1_26 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 214 298 - C_GB1_26 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 214 307 - C_GB1_26 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 214 316 - C_GB1_26 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 214 324 - C_GB1_26 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 214 330 - C_GB1_26 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 214 331 - C_GB1_26 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 214 332 - C_GB1_26 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 214 338 - C_GB1_26 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 214 346 - C_GB1_26 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 214 352 - C_GB1_26 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 214 353 - C_GB1_26 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 214 362 - C_GB1_26 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 214 377 - C_GB1_26 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 214 379 - C_GB1_26 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 214 385 - C_GB1_26 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 214 398 - C_GB1_26 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 214 407 - C_GB1_26 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 214 416 - C_GB1_26 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 214 422 - C_GB1_26 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 214 424 - C_GB1_26 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 214 430 - C_GB1_26 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 214 431 - C_GB1_26 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 214 432 - C_GB1_26 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 214 433 - C_GB1_26 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 214 440 - C_GB1_26 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 214 442 - C_GB1_26 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 214 448 - C_GB1_26 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 214 460 - C_GB1_26 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 214 462 - C_GB1_26 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 214 468 - C_GB1_26 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 214 469 - C_GB1_26 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 214 470 - C_GB1_26 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 214 476 - C_GB1_26 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 214 478 - C_GB1_26 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 214 484 - C_GB1_26 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 214 485 + C_GB1_26 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 214 219 + C_GB1_26 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 214 220 + C_GB1_26 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 214 229 + C_GB1_26 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 214 230 + C_GB1_26 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 214 231 + C_GB1_26 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 214 232 + C_GB1_26 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 214 239 + C_GB1_26 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 214 240 + C_GB1_26 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 214 241 + C_GB1_26 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 214 247 + C_GB1_26 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 214 259 + C_GB1_26 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 214 260 + C_GB1_26 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 214 261 + C_GB1_26 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 214 262 + C_GB1_26 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 214 269 + C_GB1_26 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 214 270 + C_GB1_26 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 214 279 + C_GB1_26 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 214 292 + C_GB1_26 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 214 298 + C_GB1_26 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 214 307 + C_GB1_26 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 214 316 + C_GB1_26 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 214 324 + C_GB1_26 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 214 330 + C_GB1_26 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 214 331 + C_GB1_26 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 214 332 + C_GB1_26 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 214 338 + C_GB1_26 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 214 346 + C_GB1_26 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 214 352 + C_GB1_26 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 214 353 + C_GB1_26 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 214 362 + C_GB1_26 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 214 377 + C_GB1_26 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 214 379 + C_GB1_26 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 214 385 + C_GB1_26 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 214 398 + C_GB1_26 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 214 407 + C_GB1_26 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 214 416 + C_GB1_26 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 214 422 + C_GB1_26 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 214 424 + C_GB1_26 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 214 430 + C_GB1_26 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 214 431 + C_GB1_26 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 214 432 + C_GB1_26 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 214 433 + C_GB1_26 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 214 440 + C_GB1_26 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 214 442 + C_GB1_26 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 214 448 + C_GB1_26 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 214 460 + C_GB1_26 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 214 462 + C_GB1_26 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 214 468 + C_GB1_26 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 214 469 + C_GB1_26 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 214 470 + C_GB1_26 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 214 476 + C_GB1_26 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 214 478 + C_GB1_26 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 214 484 + C_GB1_26 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 214 485 O_GB1_26 O_GB1_26 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 215 215 O_GB1_26 H_GB1_27 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 215 217 O_GB1_26 CB_GB1_27 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 215 219 @@ -26518,60 +26518,60 @@ CG2_GB1_25 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- O_GB1_26 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 215 488 O_GB1_26 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 215 490 O_GB1_26 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 215 491 - N_GB1_27 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 216 219 - N_GB1_27 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 216 220 - N_GB1_27 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 216 229 - N_GB1_27 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 216 230 - N_GB1_27 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 216 231 - N_GB1_27 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 216 232 - N_GB1_27 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 216 239 - N_GB1_27 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 216 240 - N_GB1_27 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 216 241 - N_GB1_27 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 216 247 - N_GB1_27 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 216 259 - N_GB1_27 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 216 260 - N_GB1_27 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 216 261 - N_GB1_27 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 216 262 - N_GB1_27 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 216 269 - N_GB1_27 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 216 270 - N_GB1_27 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 216 279 - N_GB1_27 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 216 292 - N_GB1_27 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 216 298 - N_GB1_27 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 216 307 - N_GB1_27 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 216 316 - N_GB1_27 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 216 324 - N_GB1_27 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 216 330 - N_GB1_27 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 216 331 - N_GB1_27 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 216 332 - N_GB1_27 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 216 338 - N_GB1_27 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 216 346 - N_GB1_27 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 216 352 - N_GB1_27 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 216 353 - N_GB1_27 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 216 362 - N_GB1_27 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 216 377 - N_GB1_27 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 216 379 - N_GB1_27 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 216 385 - N_GB1_27 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 216 398 - N_GB1_27 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 216 407 - N_GB1_27 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 216 416 - N_GB1_27 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 216 422 - N_GB1_27 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 216 424 - N_GB1_27 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 216 430 - N_GB1_27 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 216 431 - N_GB1_27 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 216 432 - N_GB1_27 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 216 433 - N_GB1_27 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 216 440 - N_GB1_27 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 216 442 - N_GB1_27 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 216 448 - N_GB1_27 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 216 460 - N_GB1_27 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 216 462 - N_GB1_27 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 216 468 - N_GB1_27 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 216 469 - N_GB1_27 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 216 470 - N_GB1_27 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 216 476 - N_GB1_27 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 216 478 - N_GB1_27 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 216 484 - N_GB1_27 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 216 485 + N_GB1_27 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 216 219 + N_GB1_27 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 216 220 + N_GB1_27 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 216 229 + N_GB1_27 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 216 230 + N_GB1_27 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 216 231 + N_GB1_27 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 216 232 + N_GB1_27 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 216 239 + N_GB1_27 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 216 240 + N_GB1_27 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 216 241 + N_GB1_27 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 216 247 + N_GB1_27 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 216 259 + N_GB1_27 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 216 260 + N_GB1_27 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 216 261 + N_GB1_27 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 216 262 + N_GB1_27 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 216 269 + N_GB1_27 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 216 270 + N_GB1_27 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 216 279 + N_GB1_27 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 216 292 + N_GB1_27 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 216 298 + N_GB1_27 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 216 307 + N_GB1_27 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 216 316 + N_GB1_27 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 216 324 + N_GB1_27 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 216 330 + N_GB1_27 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 216 331 + N_GB1_27 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 216 332 + N_GB1_27 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 216 338 + N_GB1_27 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 216 346 + N_GB1_27 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 216 352 + N_GB1_27 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 216 353 + N_GB1_27 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 216 362 + N_GB1_27 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 216 377 + N_GB1_27 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 216 379 + N_GB1_27 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 216 385 + N_GB1_27 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 216 398 + N_GB1_27 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 216 407 + N_GB1_27 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 216 416 + N_GB1_27 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 216 422 + N_GB1_27 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 216 424 + N_GB1_27 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 216 430 + N_GB1_27 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 216 431 + N_GB1_27 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 216 432 + N_GB1_27 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 216 433 + N_GB1_27 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 216 440 + N_GB1_27 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 216 442 + N_GB1_27 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 216 448 + N_GB1_27 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 216 460 + N_GB1_27 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 216 462 + N_GB1_27 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 216 468 + N_GB1_27 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 216 469 + N_GB1_27 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 216 470 + N_GB1_27 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 216 476 + N_GB1_27 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 216 478 + N_GB1_27 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 216 484 + N_GB1_27 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 216 485 H_GB1_27 H_GB1_27 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 217 217 H_GB1_27 OE1_GB1_27 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 217 222 H_GB1_27 OE2_GB1_27 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 217 223 @@ -26657,406 +26657,406 @@ CG2_GB1_25 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- H_GB1_27 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 217 488 H_GB1_27 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 217 490 H_GB1_27 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 217 491 - CB_GB1_27 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 219 221 - CB_GB1_27 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 219 222 - CB_GB1_27 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 219 223 - CB_GB1_27 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 219 224 + CB_GB1_27 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 219 221 + CB_GB1_27 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 219 222 + CB_GB1_27 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 219 223 + CB_GB1_27 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 219 224 CB_GB1_27 O_GB1_27 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 219 225 - CB_GB1_27 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 219 226 - CB_GB1_27 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 219 233 - CB_GB1_27 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 219 234 + CB_GB1_27 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 219 226 + CB_GB1_27 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 219 233 + CB_GB1_27 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 219 234 CB_GB1_27 O_GB1_28 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 219 235 - CB_GB1_27 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 219 236 - CB_GB1_27 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 219 242 + CB_GB1_27 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 219 236 + CB_GB1_27 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 219 242 CB_GB1_27 O_GB1_29 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 219 243 - CB_GB1_27 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 219 244 - CB_GB1_27 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 219 254 + CB_GB1_27 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 219 244 + CB_GB1_27 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 219 254 CB_GB1_27 O_GB1_30 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 219 255 - CB_GB1_27 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 219 256 - CB_GB1_27 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 219 263 - CB_GB1_27 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 219 264 + CB_GB1_27 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 219 256 + CB_GB1_27 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 219 263 + CB_GB1_27 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 219 264 CB_GB1_27 O_GB1_31 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 219 265 - CB_GB1_27 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 219 266 - CB_GB1_27 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 219 271 + CB_GB1_27 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 219 266 + CB_GB1_27 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 219 271 CB_GB1_27 OE1_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 219 272 - CB_GB1_27 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 219 273 - CB_GB1_27 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 219 274 + CB_GB1_27 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 219 273 + CB_GB1_27 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 219 274 CB_GB1_27 O_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 219 275 - CB_GB1_27 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 219 276 - CB_GB1_27 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 219 286 - CB_GB1_27 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 219 287 + CB_GB1_27 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 219 276 + CB_GB1_27 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 219 286 + CB_GB1_27 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 219 287 CB_GB1_27 O_GB1_33 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 219 288 - CB_GB1_27 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 219 289 - CB_GB1_27 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 219 293 + CB_GB1_27 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 219 289 + CB_GB1_27 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 219 293 CB_GB1_27 O_GB1_34 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 219 294 - CB_GB1_27 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 219 295 - CB_GB1_27 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 219 299 + CB_GB1_27 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 219 295 + CB_GB1_27 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 219 299 CB_GB1_27 OD1_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 219 300 - CB_GB1_27 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 219 301 - CB_GB1_27 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 219 302 + CB_GB1_27 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 219 301 + CB_GB1_27 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 219 302 CB_GB1_27 O_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 219 303 - CB_GB1_27 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 219 304 - CB_GB1_27 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 219 308 - CB_GB1_27 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 219 309 - CB_GB1_27 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 219 310 - CB_GB1_27 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 219 311 + CB_GB1_27 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 219 304 + CB_GB1_27 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 219 308 + CB_GB1_27 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 219 309 + CB_GB1_27 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 219 310 + CB_GB1_27 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 219 311 CB_GB1_27 O_GB1_36 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 219 312 - CB_GB1_27 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 219 313 - CB_GB1_27 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 219 317 + CB_GB1_27 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 219 313 + CB_GB1_27 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 219 317 CB_GB1_27 OD1_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 219 318 - CB_GB1_27 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 219 319 - CB_GB1_27 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 219 320 + CB_GB1_27 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 219 319 + CB_GB1_27 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 219 320 CB_GB1_27 O_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 219 321 - CB_GB1_27 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 219 322 - CB_GB1_27 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 219 325 + CB_GB1_27 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 219 322 + CB_GB1_27 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 219 325 CB_GB1_27 O_GB1_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 219 326 - CB_GB1_27 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 219 327 - CB_GB1_27 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 219 333 + CB_GB1_27 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 219 327 + CB_GB1_27 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 219 333 CB_GB1_27 O_GB1_39 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 219 334 - CB_GB1_27 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 219 335 - CB_GB1_27 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 219 339 - CB_GB1_27 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 219 340 - CB_GB1_27 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 219 341 - CB_GB1_27 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 219 342 + CB_GB1_27 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 219 335 + CB_GB1_27 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 219 339 + CB_GB1_27 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 219 340 + CB_GB1_27 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 219 341 + CB_GB1_27 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 219 342 CB_GB1_27 O_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 219 343 - CB_GB1_27 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 219 344 - CB_GB1_27 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 219 347 + CB_GB1_27 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 219 344 + CB_GB1_27 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 219 347 CB_GB1_27 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 219 348 - CB_GB1_27 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 219 349 - CB_GB1_27 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 219 354 - CB_GB1_27 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 219 355 - CB_GB1_27 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 219 356 - CB_GB1_27 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 219 357 + CB_GB1_27 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 219 349 + CB_GB1_27 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 219 354 + CB_GB1_27 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 219 355 + CB_GB1_27 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 219 356 + CB_GB1_27 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 219 357 CB_GB1_27 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 219 358 - CB_GB1_27 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 219 359 - CB_GB1_27 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 219 366 - CB_GB1_27 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 219 372 + CB_GB1_27 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 219 359 + CB_GB1_27 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 219 366 + CB_GB1_27 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 219 372 CB_GB1_27 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 219 373 - CB_GB1_27 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 219 374 - CB_GB1_27 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 219 378 - CB_GB1_27 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 219 380 + CB_GB1_27 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 219 374 + CB_GB1_27 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 219 378 + CB_GB1_27 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 219 380 CB_GB1_27 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 219 381 - CB_GB1_27 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 219 382 - CB_GB1_27 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 219 392 - CB_GB1_27 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 219 393 + CB_GB1_27 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 219 382 + CB_GB1_27 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 219 392 + CB_GB1_27 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 219 393 CB_GB1_27 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 219 394 - CB_GB1_27 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 219 395 - CB_GB1_27 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 219 399 - CB_GB1_27 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 219 400 - CB_GB1_27 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 219 401 - CB_GB1_27 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 219 402 + CB_GB1_27 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 219 395 + CB_GB1_27 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 219 399 + CB_GB1_27 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 219 400 + CB_GB1_27 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 219 401 + CB_GB1_27 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 219 402 CB_GB1_27 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 219 403 - CB_GB1_27 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 219 404 - CB_GB1_27 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 219 408 - CB_GB1_27 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 219 409 - CB_GB1_27 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 219 410 - CB_GB1_27 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 219 411 + CB_GB1_27 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 219 404 + CB_GB1_27 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 219 408 + CB_GB1_27 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 219 409 + CB_GB1_27 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 219 410 + CB_GB1_27 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 219 411 CB_GB1_27 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 219 412 - CB_GB1_27 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 219 413 - CB_GB1_27 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 219 417 + CB_GB1_27 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 219 413 + CB_GB1_27 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 219 417 CB_GB1_27 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 219 418 - CB_GB1_27 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 219 419 - CB_GB1_27 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 219 423 - CB_GB1_27 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 219 425 + CB_GB1_27 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 219 419 + CB_GB1_27 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 219 423 + CB_GB1_27 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 219 425 CB_GB1_27 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 219 426 - CB_GB1_27 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 219 427 - CB_GB1_27 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 219 434 - CB_GB1_27 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 219 435 + CB_GB1_27 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 219 427 + CB_GB1_27 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 219 434 + CB_GB1_27 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 219 435 CB_GB1_27 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 219 436 - CB_GB1_27 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 219 437 - CB_GB1_27 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 219 441 - CB_GB1_27 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 219 443 + CB_GB1_27 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 219 437 + CB_GB1_27 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 219 441 + CB_GB1_27 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 219 443 CB_GB1_27 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 219 444 - CB_GB1_27 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 219 445 - CB_GB1_27 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 219 455 + CB_GB1_27 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 219 445 + CB_GB1_27 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 219 455 CB_GB1_27 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 219 456 - CB_GB1_27 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 219 457 - CB_GB1_27 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 219 461 - CB_GB1_27 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 219 463 + CB_GB1_27 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 219 457 + CB_GB1_27 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 219 461 + CB_GB1_27 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 219 463 CB_GB1_27 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 219 464 - CB_GB1_27 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 219 465 - CB_GB1_27 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 219 471 + CB_GB1_27 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 219 465 + CB_GB1_27 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 219 471 CB_GB1_27 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 219 472 - CB_GB1_27 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 219 473 - CB_GB1_27 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 219 477 - CB_GB1_27 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 219 479 + CB_GB1_27 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 219 473 + CB_GB1_27 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 219 477 + CB_GB1_27 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 219 479 CB_GB1_27 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 219 480 - CB_GB1_27 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 219 481 - CB_GB1_27 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 219 486 - CB_GB1_27 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 219 487 - CB_GB1_27 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 219 488 - CB_GB1_27 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 219 489 - CB_GB1_27 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 219 490 - CB_GB1_27 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 219 491 - CG_GB1_27 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 220 221 - CG_GB1_27 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 220 222 - CG_GB1_27 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 220 223 - CG_GB1_27 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 220 224 + CB_GB1_27 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 219 481 + CB_GB1_27 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 219 486 + CB_GB1_27 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 219 487 + CB_GB1_27 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 219 488 + CB_GB1_27 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 219 489 + CB_GB1_27 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 219 490 + CB_GB1_27 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 219 491 + CG_GB1_27 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 220 221 + CG_GB1_27 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 220 222 + CG_GB1_27 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 220 223 + CG_GB1_27 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 220 224 CG_GB1_27 O_GB1_27 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 220 225 - CG_GB1_27 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 220 226 - CG_GB1_27 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 220 233 - CG_GB1_27 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 220 234 + CG_GB1_27 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 220 226 + CG_GB1_27 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 220 233 + CG_GB1_27 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 220 234 CG_GB1_27 O_GB1_28 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 220 235 - CG_GB1_27 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 220 236 - CG_GB1_27 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 220 242 + CG_GB1_27 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 220 236 + CG_GB1_27 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 220 242 CG_GB1_27 O_GB1_29 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 220 243 - CG_GB1_27 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 220 244 - CG_GB1_27 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 220 254 + CG_GB1_27 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 220 244 + CG_GB1_27 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 220 254 CG_GB1_27 O_GB1_30 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 220 255 - CG_GB1_27 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 220 256 - CG_GB1_27 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 220 263 - CG_GB1_27 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 220 264 + CG_GB1_27 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 220 256 + CG_GB1_27 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 220 263 + CG_GB1_27 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 220 264 CG_GB1_27 O_GB1_31 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 220 265 - CG_GB1_27 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 220 266 - CG_GB1_27 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 220 271 + CG_GB1_27 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 220 266 + CG_GB1_27 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 220 271 CG_GB1_27 OE1_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 220 272 - CG_GB1_27 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 220 273 - CG_GB1_27 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 220 274 + CG_GB1_27 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 220 273 + CG_GB1_27 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 220 274 CG_GB1_27 O_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 220 275 - CG_GB1_27 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 220 276 - CG_GB1_27 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 220 286 - CG_GB1_27 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 220 287 + CG_GB1_27 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 220 276 + CG_GB1_27 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 220 286 + CG_GB1_27 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 220 287 CG_GB1_27 O_GB1_33 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 220 288 - CG_GB1_27 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 220 289 - CG_GB1_27 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 220 293 + CG_GB1_27 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 220 289 + CG_GB1_27 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 220 293 CG_GB1_27 O_GB1_34 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 220 294 - CG_GB1_27 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 220 295 - CG_GB1_27 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 220 299 + CG_GB1_27 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 220 295 + CG_GB1_27 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 220 299 CG_GB1_27 OD1_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 220 300 - CG_GB1_27 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 220 301 - CG_GB1_27 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 220 302 + CG_GB1_27 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 220 301 + CG_GB1_27 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 220 302 CG_GB1_27 O_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 220 303 - CG_GB1_27 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 220 304 - CG_GB1_27 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 220 308 - CG_GB1_27 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 220 309 - CG_GB1_27 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 220 310 - CG_GB1_27 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 220 311 + CG_GB1_27 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 220 304 + CG_GB1_27 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 220 308 + CG_GB1_27 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 220 309 + CG_GB1_27 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 220 310 + CG_GB1_27 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 220 311 CG_GB1_27 O_GB1_36 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 220 312 - CG_GB1_27 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 220 313 - CG_GB1_27 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 220 317 + CG_GB1_27 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 220 313 + CG_GB1_27 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 220 317 CG_GB1_27 OD1_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 220 318 - CG_GB1_27 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 220 319 - CG_GB1_27 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 220 320 + CG_GB1_27 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 220 319 + CG_GB1_27 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 220 320 CG_GB1_27 O_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 220 321 - CG_GB1_27 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 220 322 - CG_GB1_27 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 220 325 + CG_GB1_27 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 220 322 + CG_GB1_27 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 220 325 CG_GB1_27 O_GB1_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 220 326 - CG_GB1_27 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 220 327 - CG_GB1_27 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 220 333 + CG_GB1_27 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 220 327 + CG_GB1_27 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 220 333 CG_GB1_27 O_GB1_39 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 220 334 - CG_GB1_27 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 220 335 - CG_GB1_27 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 220 339 - CG_GB1_27 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 220 340 - CG_GB1_27 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 220 341 - CG_GB1_27 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 220 342 + CG_GB1_27 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 220 335 + CG_GB1_27 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 220 339 + CG_GB1_27 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 220 340 + CG_GB1_27 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 220 341 + CG_GB1_27 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 220 342 CG_GB1_27 O_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 220 343 - CG_GB1_27 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 220 344 - CG_GB1_27 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 220 347 + CG_GB1_27 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 220 344 + CG_GB1_27 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 220 347 CG_GB1_27 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 220 348 - CG_GB1_27 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 220 349 - CG_GB1_27 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 220 354 - CG_GB1_27 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 220 355 - CG_GB1_27 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 220 356 - CG_GB1_27 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 220 357 + CG_GB1_27 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 220 349 + CG_GB1_27 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 220 354 + CG_GB1_27 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 220 355 + CG_GB1_27 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 220 356 + CG_GB1_27 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 220 357 CG_GB1_27 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 220 358 - CG_GB1_27 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 220 359 - CG_GB1_27 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 220 366 - CG_GB1_27 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 220 372 + CG_GB1_27 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 220 359 + CG_GB1_27 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 220 366 + CG_GB1_27 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 220 372 CG_GB1_27 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 220 373 - CG_GB1_27 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 220 374 - CG_GB1_27 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 220 378 - CG_GB1_27 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 220 380 + CG_GB1_27 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 220 374 + CG_GB1_27 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 220 378 + CG_GB1_27 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 220 380 CG_GB1_27 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 220 381 - CG_GB1_27 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 220 382 - CG_GB1_27 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 220 392 - CG_GB1_27 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 220 393 + CG_GB1_27 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 220 382 + CG_GB1_27 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 220 392 + CG_GB1_27 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 220 393 CG_GB1_27 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 220 394 - CG_GB1_27 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 220 395 - CG_GB1_27 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 220 399 - CG_GB1_27 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 220 400 - CG_GB1_27 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 220 401 - CG_GB1_27 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 220 402 + CG_GB1_27 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 220 395 + CG_GB1_27 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 220 399 + CG_GB1_27 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 220 400 + CG_GB1_27 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 220 401 + CG_GB1_27 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 220 402 CG_GB1_27 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 220 403 - CG_GB1_27 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 220 404 - CG_GB1_27 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 220 408 - CG_GB1_27 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 220 409 - CG_GB1_27 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 220 410 - CG_GB1_27 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 220 411 + CG_GB1_27 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 220 404 + CG_GB1_27 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 220 408 + CG_GB1_27 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 220 409 + CG_GB1_27 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 220 410 + CG_GB1_27 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 220 411 CG_GB1_27 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 220 412 - CG_GB1_27 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 220 413 - CG_GB1_27 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 220 417 + CG_GB1_27 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 220 413 + CG_GB1_27 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 220 417 CG_GB1_27 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 220 418 - CG_GB1_27 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 220 419 - CG_GB1_27 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 220 423 - CG_GB1_27 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 220 425 + CG_GB1_27 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 220 419 + CG_GB1_27 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 220 423 + CG_GB1_27 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 220 425 CG_GB1_27 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 220 426 - CG_GB1_27 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 220 427 - CG_GB1_27 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 220 434 - CG_GB1_27 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 220 435 + CG_GB1_27 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 220 427 + CG_GB1_27 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 220 434 + CG_GB1_27 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 220 435 CG_GB1_27 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 220 436 - CG_GB1_27 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 220 437 - CG_GB1_27 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 220 441 - CG_GB1_27 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 220 443 + CG_GB1_27 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 220 437 + CG_GB1_27 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 220 441 + CG_GB1_27 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 220 443 CG_GB1_27 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 220 444 - CG_GB1_27 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 220 445 - CG_GB1_27 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 220 455 + CG_GB1_27 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 220 445 + CG_GB1_27 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 220 455 CG_GB1_27 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 220 456 - CG_GB1_27 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 220 457 - CG_GB1_27 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 220 461 - CG_GB1_27 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 220 463 + CG_GB1_27 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 220 457 + CG_GB1_27 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 220 461 + CG_GB1_27 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 220 463 CG_GB1_27 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 220 464 - CG_GB1_27 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 220 465 - CG_GB1_27 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 220 471 + CG_GB1_27 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 220 465 + CG_GB1_27 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 220 471 CG_GB1_27 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 220 472 - CG_GB1_27 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 220 473 - CG_GB1_27 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 220 477 - CG_GB1_27 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 220 479 + CG_GB1_27 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 220 473 + CG_GB1_27 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 220 477 + CG_GB1_27 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 220 479 CG_GB1_27 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 220 480 - CG_GB1_27 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 220 481 - CG_GB1_27 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 220 486 - CG_GB1_27 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 220 487 - CG_GB1_27 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 220 488 - CG_GB1_27 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 220 489 - CG_GB1_27 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 220 490 - CG_GB1_27 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 220 491 - CD_GB1_27 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 221 229 - CD_GB1_27 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 221 230 - CD_GB1_27 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 221 231 - CD_GB1_27 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 221 232 - CD_GB1_27 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 221 239 - CD_GB1_27 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 221 240 - CD_GB1_27 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 221 241 - CD_GB1_27 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 221 247 - CD_GB1_27 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 221 259 - CD_GB1_27 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 221 260 - CD_GB1_27 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 221 261 - CD_GB1_27 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 221 262 - CD_GB1_27 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 221 269 - CD_GB1_27 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 221 270 - CD_GB1_27 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 221 279 - CD_GB1_27 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 221 292 - CD_GB1_27 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 221 298 - CD_GB1_27 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 221 307 - CD_GB1_27 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 221 316 - CD_GB1_27 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 221 324 - CD_GB1_27 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 221 330 - CD_GB1_27 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 221 331 - CD_GB1_27 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 221 332 - CD_GB1_27 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 221 338 - CD_GB1_27 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 221 346 - CD_GB1_27 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 221 352 - CD_GB1_27 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 221 353 - CD_GB1_27 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 221 362 - CD_GB1_27 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 221 377 - CD_GB1_27 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 221 379 - CD_GB1_27 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 221 385 - CD_GB1_27 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 221 398 - CD_GB1_27 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 221 407 - CD_GB1_27 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 221 416 - CD_GB1_27 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 221 422 - CD_GB1_27 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 221 424 - CD_GB1_27 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 221 430 - CD_GB1_27 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 221 431 - CD_GB1_27 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 221 432 - CD_GB1_27 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 221 433 - CD_GB1_27 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 221 440 - CD_GB1_27 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 221 442 - CD_GB1_27 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 221 448 - CD_GB1_27 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 221 460 - CD_GB1_27 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 221 462 - CD_GB1_27 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 221 468 - CD_GB1_27 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 221 469 - CD_GB1_27 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 221 470 - CD_GB1_27 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 221 476 - CD_GB1_27 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 221 478 - CD_GB1_27 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 221 484 - CD_GB1_27 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 221 485 + CG_GB1_27 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 220 481 + CG_GB1_27 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 220 486 + CG_GB1_27 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 220 487 + CG_GB1_27 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 220 488 + CG_GB1_27 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 220 489 + CG_GB1_27 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 220 490 + CG_GB1_27 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 220 491 + CD_GB1_27 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 221 229 + CD_GB1_27 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 221 230 + CD_GB1_27 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 221 231 + CD_GB1_27 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 221 232 + CD_GB1_27 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 221 239 + CD_GB1_27 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 221 240 + CD_GB1_27 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 221 241 + CD_GB1_27 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 221 247 + CD_GB1_27 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 221 259 + CD_GB1_27 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 221 260 + CD_GB1_27 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 221 261 + CD_GB1_27 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 221 262 + CD_GB1_27 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 221 269 + CD_GB1_27 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 221 270 + CD_GB1_27 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 221 279 + CD_GB1_27 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 221 292 + CD_GB1_27 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 221 298 + CD_GB1_27 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 221 307 + CD_GB1_27 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 221 316 + CD_GB1_27 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 221 324 + CD_GB1_27 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 221 330 + CD_GB1_27 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 221 331 + CD_GB1_27 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 221 332 + CD_GB1_27 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 221 338 + CD_GB1_27 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 221 346 + CD_GB1_27 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 221 352 + CD_GB1_27 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 221 353 + CD_GB1_27 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 221 362 + CD_GB1_27 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 221 377 + CD_GB1_27 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 221 379 + CD_GB1_27 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 221 385 + CD_GB1_27 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 221 398 + CD_GB1_27 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 221 407 + CD_GB1_27 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 221 416 + CD_GB1_27 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 221 422 + CD_GB1_27 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 221 424 + CD_GB1_27 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 221 430 + CD_GB1_27 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 221 431 + CD_GB1_27 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 221 432 + CD_GB1_27 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 221 433 + CD_GB1_27 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 221 440 + CD_GB1_27 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 221 442 + CD_GB1_27 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 221 448 + CD_GB1_27 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 221 460 + CD_GB1_27 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 221 462 + CD_GB1_27 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 221 468 + CD_GB1_27 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 221 469 + CD_GB1_27 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 221 470 + CD_GB1_27 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 221 476 + CD_GB1_27 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 221 478 + CD_GB1_27 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 221 484 + CD_GB1_27 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 221 485 OE1_GB1_27 OE1_GB1_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 222 222 OE1_GB1_27 OE2_GB1_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 222 223 OE1_GB1_27 O_GB1_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 222 225 OE1_GB1_27 H_GB1_28 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 222 227 -OE1_GB1_27 CB_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 222 229 -OE1_GB1_27 CG_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 222 230 -OE1_GB1_27 CD_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 222 231 -OE1_GB1_27 CE_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 222 232 +OE1_GB1_27 CB_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 222 229 +OE1_GB1_27 CG_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 222 230 +OE1_GB1_27 CD_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 222 231 +OE1_GB1_27 CE_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 222 232 OE1_GB1_27 O_GB1_28 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 222 235 OE1_GB1_27 H_GB1_29 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 222 237 -OE1_GB1_27 CB_GB1_29 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 222 239 +OE1_GB1_27 CB_GB1_29 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 222 239 OE1_GB1_27 CG1_GB1_29 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 222 240 OE1_GB1_27 CG2_GB1_29 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 222 241 OE1_GB1_27 O_GB1_29 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 222 243 OE1_GB1_27 H_GB1_30 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 222 245 -OE1_GB1_27 CB_GB1_30 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 222 247 +OE1_GB1_27 CB_GB1_30 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 222 247 OE1_GB1_27 O_GB1_30 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 222 255 OE1_GB1_27 H_GB1_31 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 222 257 -OE1_GB1_27 CB_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 222 259 -OE1_GB1_27 CG_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 222 260 -OE1_GB1_27 CD_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 222 261 -OE1_GB1_27 CE_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 222 262 +OE1_GB1_27 CB_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 222 259 +OE1_GB1_27 CG_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 222 260 +OE1_GB1_27 CD_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 222 261 +OE1_GB1_27 CE_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 222 262 OE1_GB1_27 O_GB1_31 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 222 265 OE1_GB1_27 H_GB1_32 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 222 267 -OE1_GB1_27 CB_GB1_32 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 222 269 -OE1_GB1_27 CG_GB1_32 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 222 270 +OE1_GB1_27 CB_GB1_32 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 222 269 +OE1_GB1_27 CG_GB1_32 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 222 270 OE1_GB1_27 OE1_GB1_32 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 222 272 OE1_GB1_27 O_GB1_32 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 222 275 OE1_GB1_27 H_GB1_33 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 222 277 -OE1_GB1_27 CB_GB1_33 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 222 279 +OE1_GB1_27 CB_GB1_33 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 222 279 OE1_GB1_27 O_GB1_33 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 222 288 OE1_GB1_27 H_GB1_34 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 222 290 OE1_GB1_27 CB_GB1_34 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 222 292 OE1_GB1_27 O_GB1_34 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 222 294 OE1_GB1_27 H_GB1_35 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 222 296 -OE1_GB1_27 CB_GB1_35 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 222 298 +OE1_GB1_27 CB_GB1_35 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 222 298 OE1_GB1_27 OD1_GB1_35 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 222 300 OE1_GB1_27 O_GB1_35 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 222 303 OE1_GB1_27 H_GB1_36 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 222 305 -OE1_GB1_27 CB_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 222 307 +OE1_GB1_27 CB_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 222 307 OE1_GB1_27 OD1_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 222 309 OE1_GB1_27 OD2_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 222 310 OE1_GB1_27 O_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 222 312 OE1_GB1_27 H_GB1_37 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 222 314 -OE1_GB1_27 CB_GB1_37 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 222 316 +OE1_GB1_27 CB_GB1_37 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 222 316 OE1_GB1_27 OD1_GB1_37 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 222 318 OE1_GB1_27 O_GB1_37 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 222 321 OE1_GB1_27 H_GB1_38 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 222 323 -OE1_GB1_27 CA_GB1_38 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 222 324 +OE1_GB1_27 CA_GB1_38 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 222 324 OE1_GB1_27 O_GB1_38 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 222 326 OE1_GB1_27 H_GB1_39 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 222 328 -OE1_GB1_27 CB_GB1_39 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 222 330 +OE1_GB1_27 CB_GB1_39 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 222 330 OE1_GB1_27 CG1_GB1_39 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 222 331 OE1_GB1_27 CG2_GB1_39 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 222 332 OE1_GB1_27 O_GB1_39 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 222 334 OE1_GB1_27 H_GB1_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 222 336 -OE1_GB1_27 CB_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 222 338 +OE1_GB1_27 CB_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 222 338 OE1_GB1_27 OD1_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 222 340 OE1_GB1_27 OD2_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 222 341 OE1_GB1_27 O_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 222 343 OE1_GB1_27 H_GB1_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 222 345 -OE1_GB1_27 CA_GB1_41 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 222 346 +OE1_GB1_27 CA_GB1_41 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 222 346 OE1_GB1_27 O_GB1_41 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 222 348 OE1_GB1_27 H_GB1_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 222 350 -OE1_GB1_27 CB_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 222 352 -OE1_GB1_27 CG_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 222 353 +OE1_GB1_27 CB_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 222 352 +OE1_GB1_27 CG_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 222 353 OE1_GB1_27 OE1_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 222 355 OE1_GB1_27 OE2_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 222 356 OE1_GB1_27 O_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 222 358 OE1_GB1_27 H_GB1_43 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 222 360 -OE1_GB1_27 CB_GB1_43 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 222 362 +OE1_GB1_27 CB_GB1_43 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 222 362 OE1_GB1_27 O_GB1_43 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 222 373 OE1_GB1_27 H_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 222 375 -OE1_GB1_27 CB_GB1_44 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 222 377 +OE1_GB1_27 CB_GB1_44 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 222 377 OE1_GB1_27 CG2_GB1_44 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 222 379 OE1_GB1_27 O_GB1_44 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 222 381 OE1_GB1_27 H_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 222 383 -OE1_GB1_27 CB_GB1_45 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 222 385 +OE1_GB1_27 CB_GB1_45 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 222 385 OE1_GB1_27 O_GB1_45 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 222 394 OE1_GB1_27 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 222 396 -OE1_GB1_27 CB_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 222 398 +OE1_GB1_27 CB_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 222 398 OE1_GB1_27 OD1_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 222 400 OE1_GB1_27 OD2_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 222 401 OE1_GB1_27 O_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 222 403 OE1_GB1_27 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 222 405 -OE1_GB1_27 CB_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 222 407 +OE1_GB1_27 CB_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 222 407 OE1_GB1_27 OD1_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 222 409 OE1_GB1_27 OD2_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 222 410 OE1_GB1_27 O_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 222 412 @@ -27064,38 +27064,38 @@ OE1_GB1_27 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e- OE1_GB1_27 CB_GB1_48 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 222 416 OE1_GB1_27 O_GB1_48 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 222 418 OE1_GB1_27 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 222 420 -OE1_GB1_27 CB_GB1_49 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 222 422 +OE1_GB1_27 CB_GB1_49 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 222 422 OE1_GB1_27 CG2_GB1_49 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 222 424 OE1_GB1_27 O_GB1_49 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 222 426 OE1_GB1_27 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 222 428 -OE1_GB1_27 CB_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 222 430 -OE1_GB1_27 CG_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 222 431 -OE1_GB1_27 CD_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 222 432 -OE1_GB1_27 CE_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 222 433 +OE1_GB1_27 CB_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 222 430 +OE1_GB1_27 CG_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 222 431 +OE1_GB1_27 CD_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 222 432 +OE1_GB1_27 CE_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 222 433 OE1_GB1_27 O_GB1_50 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 222 436 OE1_GB1_27 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 222 438 -OE1_GB1_27 CB_GB1_51 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 222 440 +OE1_GB1_27 CB_GB1_51 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 222 440 OE1_GB1_27 CG2_GB1_51 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 222 442 OE1_GB1_27 O_GB1_51 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 222 444 OE1_GB1_27 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 222 446 -OE1_GB1_27 CB_GB1_52 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 222 448 +OE1_GB1_27 CB_GB1_52 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 222 448 OE1_GB1_27 O_GB1_52 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 222 456 OE1_GB1_27 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 222 458 -OE1_GB1_27 CB_GB1_53 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 222 460 +OE1_GB1_27 CB_GB1_53 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 222 460 OE1_GB1_27 CG2_GB1_53 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 222 462 OE1_GB1_27 O_GB1_53 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 222 464 OE1_GB1_27 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 222 466 -OE1_GB1_27 CB_GB1_54 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 222 468 +OE1_GB1_27 CB_GB1_54 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 222 468 OE1_GB1_27 CG1_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 222 469 OE1_GB1_27 CG2_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 222 470 OE1_GB1_27 O_GB1_54 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 222 472 OE1_GB1_27 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 222 474 -OE1_GB1_27 CB_GB1_55 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 222 476 +OE1_GB1_27 CB_GB1_55 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 222 476 OE1_GB1_27 CG2_GB1_55 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 222 478 OE1_GB1_27 O_GB1_55 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 222 480 OE1_GB1_27 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 222 482 -OE1_GB1_27 CB_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 222 484 -OE1_GB1_27 CG_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 222 485 +OE1_GB1_27 CB_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 222 484 +OE1_GB1_27 CG_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 222 485 OE1_GB1_27 OE1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 222 487 OE1_GB1_27 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 222 488 OE1_GB1_27 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 222 490 @@ -27103,88 +27103,88 @@ OE1_GB1_27 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- OE2_GB1_27 OE2_GB1_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 223 223 OE2_GB1_27 O_GB1_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 223 225 OE2_GB1_27 H_GB1_28 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 223 227 -OE2_GB1_27 CB_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 223 229 -OE2_GB1_27 CG_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 223 230 -OE2_GB1_27 CD_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 223 231 -OE2_GB1_27 CE_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 223 232 +OE2_GB1_27 CB_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 223 229 +OE2_GB1_27 CG_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 223 230 +OE2_GB1_27 CD_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 223 231 +OE2_GB1_27 CE_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 223 232 OE2_GB1_27 O_GB1_28 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 223 235 OE2_GB1_27 H_GB1_29 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 223 237 -OE2_GB1_27 CB_GB1_29 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 223 239 +OE2_GB1_27 CB_GB1_29 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 223 239 OE2_GB1_27 CG1_GB1_29 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 223 240 OE2_GB1_27 CG2_GB1_29 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 223 241 OE2_GB1_27 O_GB1_29 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 223 243 OE2_GB1_27 H_GB1_30 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 223 245 -OE2_GB1_27 CB_GB1_30 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 223 247 +OE2_GB1_27 CB_GB1_30 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 223 247 OE2_GB1_27 O_GB1_30 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 223 255 OE2_GB1_27 H_GB1_31 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 223 257 -OE2_GB1_27 CB_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 223 259 -OE2_GB1_27 CG_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 223 260 -OE2_GB1_27 CD_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 223 261 -OE2_GB1_27 CE_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 223 262 +OE2_GB1_27 CB_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 223 259 +OE2_GB1_27 CG_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 223 260 +OE2_GB1_27 CD_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 223 261 +OE2_GB1_27 CE_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 223 262 OE2_GB1_27 O_GB1_31 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 223 265 OE2_GB1_27 H_GB1_32 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 223 267 -OE2_GB1_27 CB_GB1_32 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 223 269 -OE2_GB1_27 CG_GB1_32 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 223 270 +OE2_GB1_27 CB_GB1_32 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 223 269 +OE2_GB1_27 CG_GB1_32 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 223 270 OE2_GB1_27 OE1_GB1_32 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 223 272 OE2_GB1_27 O_GB1_32 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 223 275 OE2_GB1_27 H_GB1_33 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 223 277 -OE2_GB1_27 CB_GB1_33 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 223 279 +OE2_GB1_27 CB_GB1_33 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 223 279 OE2_GB1_27 O_GB1_33 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 223 288 OE2_GB1_27 H_GB1_34 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 223 290 OE2_GB1_27 CB_GB1_34 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 223 292 OE2_GB1_27 O_GB1_34 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 223 294 OE2_GB1_27 H_GB1_35 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 223 296 -OE2_GB1_27 CB_GB1_35 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 223 298 +OE2_GB1_27 CB_GB1_35 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 223 298 OE2_GB1_27 OD1_GB1_35 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 223 300 OE2_GB1_27 O_GB1_35 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 223 303 OE2_GB1_27 H_GB1_36 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 223 305 -OE2_GB1_27 CB_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 223 307 +OE2_GB1_27 CB_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 223 307 OE2_GB1_27 OD1_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 223 309 OE2_GB1_27 OD2_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 223 310 OE2_GB1_27 O_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 223 312 OE2_GB1_27 H_GB1_37 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 223 314 -OE2_GB1_27 CB_GB1_37 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 223 316 +OE2_GB1_27 CB_GB1_37 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 223 316 OE2_GB1_27 OD1_GB1_37 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 223 318 OE2_GB1_27 O_GB1_37 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 223 321 OE2_GB1_27 H_GB1_38 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 223 323 -OE2_GB1_27 CA_GB1_38 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 223 324 +OE2_GB1_27 CA_GB1_38 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 223 324 OE2_GB1_27 O_GB1_38 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 223 326 OE2_GB1_27 H_GB1_39 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 223 328 -OE2_GB1_27 CB_GB1_39 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 223 330 +OE2_GB1_27 CB_GB1_39 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 223 330 OE2_GB1_27 CG1_GB1_39 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 223 331 OE2_GB1_27 CG2_GB1_39 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 223 332 OE2_GB1_27 O_GB1_39 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 223 334 OE2_GB1_27 H_GB1_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 223 336 -OE2_GB1_27 CB_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 223 338 +OE2_GB1_27 CB_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 223 338 OE2_GB1_27 OD1_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 223 340 OE2_GB1_27 OD2_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 223 341 OE2_GB1_27 O_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 223 343 OE2_GB1_27 H_GB1_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 223 345 -OE2_GB1_27 CA_GB1_41 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 223 346 +OE2_GB1_27 CA_GB1_41 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 223 346 OE2_GB1_27 O_GB1_41 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 223 348 OE2_GB1_27 H_GB1_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 223 350 -OE2_GB1_27 CB_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 223 352 -OE2_GB1_27 CG_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 223 353 +OE2_GB1_27 CB_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 223 352 +OE2_GB1_27 CG_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 223 353 OE2_GB1_27 OE1_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 223 355 OE2_GB1_27 OE2_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 223 356 OE2_GB1_27 O_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 223 358 OE2_GB1_27 H_GB1_43 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 223 360 -OE2_GB1_27 CB_GB1_43 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 223 362 +OE2_GB1_27 CB_GB1_43 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 223 362 OE2_GB1_27 O_GB1_43 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 223 373 OE2_GB1_27 H_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 223 375 -OE2_GB1_27 CB_GB1_44 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 223 377 +OE2_GB1_27 CB_GB1_44 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 223 377 OE2_GB1_27 CG2_GB1_44 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 223 379 OE2_GB1_27 O_GB1_44 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 223 381 OE2_GB1_27 H_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 223 383 -OE2_GB1_27 CB_GB1_45 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 223 385 +OE2_GB1_27 CB_GB1_45 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 223 385 OE2_GB1_27 O_GB1_45 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 223 394 OE2_GB1_27 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 223 396 -OE2_GB1_27 CB_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 223 398 +OE2_GB1_27 CB_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 223 398 OE2_GB1_27 OD1_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 223 400 OE2_GB1_27 OD2_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 223 401 OE2_GB1_27 O_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 223 403 OE2_GB1_27 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 223 405 -OE2_GB1_27 CB_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 223 407 +OE2_GB1_27 CB_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 223 407 OE2_GB1_27 OD1_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 223 409 OE2_GB1_27 OD2_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 223 410 OE2_GB1_27 O_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 223 412 @@ -27192,94 +27192,94 @@ OE2_GB1_27 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e- OE2_GB1_27 CB_GB1_48 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 223 416 OE2_GB1_27 O_GB1_48 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 223 418 OE2_GB1_27 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 223 420 -OE2_GB1_27 CB_GB1_49 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 223 422 +OE2_GB1_27 CB_GB1_49 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 223 422 OE2_GB1_27 CG2_GB1_49 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 223 424 OE2_GB1_27 O_GB1_49 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 223 426 OE2_GB1_27 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 223 428 -OE2_GB1_27 CB_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 223 430 -OE2_GB1_27 CG_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 223 431 -OE2_GB1_27 CD_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 223 432 -OE2_GB1_27 CE_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 223 433 +OE2_GB1_27 CB_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 223 430 +OE2_GB1_27 CG_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 223 431 +OE2_GB1_27 CD_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 223 432 +OE2_GB1_27 CE_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 223 433 OE2_GB1_27 O_GB1_50 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 223 436 OE2_GB1_27 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 223 438 -OE2_GB1_27 CB_GB1_51 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 223 440 +OE2_GB1_27 CB_GB1_51 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 223 440 OE2_GB1_27 CG2_GB1_51 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 223 442 OE2_GB1_27 O_GB1_51 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 223 444 OE2_GB1_27 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 223 446 -OE2_GB1_27 CB_GB1_52 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 223 448 +OE2_GB1_27 CB_GB1_52 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 223 448 OE2_GB1_27 O_GB1_52 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 223 456 OE2_GB1_27 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 223 458 -OE2_GB1_27 CB_GB1_53 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 223 460 +OE2_GB1_27 CB_GB1_53 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 223 460 OE2_GB1_27 CG2_GB1_53 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 223 462 OE2_GB1_27 O_GB1_53 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 223 464 OE2_GB1_27 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 223 466 -OE2_GB1_27 CB_GB1_54 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 223 468 +OE2_GB1_27 CB_GB1_54 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 223 468 OE2_GB1_27 CG1_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 223 469 OE2_GB1_27 CG2_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 223 470 OE2_GB1_27 O_GB1_54 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 223 472 OE2_GB1_27 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 223 474 -OE2_GB1_27 CB_GB1_55 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 223 476 +OE2_GB1_27 CB_GB1_55 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 223 476 OE2_GB1_27 CG2_GB1_55 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 223 478 OE2_GB1_27 O_GB1_55 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 223 480 OE2_GB1_27 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 223 482 -OE2_GB1_27 CB_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 223 484 -OE2_GB1_27 CG_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 223 485 +OE2_GB1_27 CB_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 223 484 +OE2_GB1_27 CG_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 223 485 OE2_GB1_27 OE1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 223 487 OE2_GB1_27 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 223 488 OE2_GB1_27 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 223 490 OE2_GB1_27 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 223 491 - C_GB1_27 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 224 229 - C_GB1_27 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 224 230 - C_GB1_27 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 224 231 - C_GB1_27 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 224 232 - C_GB1_27 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 224 239 - C_GB1_27 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 224 240 - C_GB1_27 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 224 241 - C_GB1_27 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 224 247 - C_GB1_27 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 224 259 - C_GB1_27 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 224 260 - C_GB1_27 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 224 261 - C_GB1_27 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 224 262 - C_GB1_27 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 224 269 - C_GB1_27 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 224 270 - C_GB1_27 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 224 279 - C_GB1_27 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 224 292 - C_GB1_27 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 224 298 - C_GB1_27 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 224 307 - C_GB1_27 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 224 316 - C_GB1_27 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 224 324 - C_GB1_27 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 224 330 - C_GB1_27 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 224 331 - C_GB1_27 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 224 332 - C_GB1_27 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 224 338 - C_GB1_27 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 224 346 - C_GB1_27 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 224 352 - C_GB1_27 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 224 353 - C_GB1_27 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 224 362 - C_GB1_27 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 224 377 - C_GB1_27 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 224 379 - C_GB1_27 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 224 385 - C_GB1_27 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 224 398 - C_GB1_27 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 224 407 - C_GB1_27 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 224 416 - C_GB1_27 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 224 422 - C_GB1_27 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 224 424 - C_GB1_27 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 224 430 - C_GB1_27 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 224 431 - C_GB1_27 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 224 432 - C_GB1_27 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 224 433 - C_GB1_27 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 224 440 - C_GB1_27 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 224 442 - C_GB1_27 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 224 448 - C_GB1_27 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 224 460 - C_GB1_27 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 224 462 - C_GB1_27 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 224 468 - C_GB1_27 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 224 469 - C_GB1_27 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 224 470 - C_GB1_27 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 224 476 - C_GB1_27 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 224 478 - C_GB1_27 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 224 484 - C_GB1_27 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 224 485 + C_GB1_27 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 224 229 + C_GB1_27 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 224 230 + C_GB1_27 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 224 231 + C_GB1_27 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 224 232 + C_GB1_27 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 224 239 + C_GB1_27 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 224 240 + C_GB1_27 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 224 241 + C_GB1_27 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 224 247 + C_GB1_27 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 224 259 + C_GB1_27 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 224 260 + C_GB1_27 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 224 261 + C_GB1_27 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 224 262 + C_GB1_27 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 224 269 + C_GB1_27 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 224 270 + C_GB1_27 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 224 279 + C_GB1_27 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 224 292 + C_GB1_27 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 224 298 + C_GB1_27 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 224 307 + C_GB1_27 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 224 316 + C_GB1_27 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 224 324 + C_GB1_27 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 224 330 + C_GB1_27 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 224 331 + C_GB1_27 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 224 332 + C_GB1_27 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 224 338 + C_GB1_27 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 224 346 + C_GB1_27 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 224 352 + C_GB1_27 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 224 353 + C_GB1_27 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 224 362 + C_GB1_27 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 224 377 + C_GB1_27 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 224 379 + C_GB1_27 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 224 385 + C_GB1_27 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 224 398 + C_GB1_27 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 224 407 + C_GB1_27 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 224 416 + C_GB1_27 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 224 422 + C_GB1_27 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 224 424 + C_GB1_27 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 224 430 + C_GB1_27 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 224 431 + C_GB1_27 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 224 432 + C_GB1_27 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 224 433 + C_GB1_27 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 224 440 + C_GB1_27 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 224 442 + C_GB1_27 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 224 448 + C_GB1_27 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 224 460 + C_GB1_27 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 224 462 + C_GB1_27 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 224 468 + C_GB1_27 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 224 469 + C_GB1_27 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 224 470 + C_GB1_27 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 224 476 + C_GB1_27 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 224 478 + C_GB1_27 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 224 484 + C_GB1_27 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 224 485 O_GB1_27 O_GB1_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 225 225 O_GB1_27 H_GB1_28 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 225 227 O_GB1_27 CB_GB1_28 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 225 229 @@ -27407,58 +27407,58 @@ OE2_GB1_27 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- O_GB1_27 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 225 488 O_GB1_27 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 225 490 O_GB1_27 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 225 491 - N_GB1_28 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 226 229 - N_GB1_28 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 226 230 - N_GB1_28 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 226 231 - N_GB1_28 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 226 232 - N_GB1_28 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 226 239 - N_GB1_28 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 226 240 - N_GB1_28 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 226 241 - N_GB1_28 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 226 247 - N_GB1_28 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 226 259 - N_GB1_28 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 226 260 - N_GB1_28 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 226 261 - N_GB1_28 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 226 262 - N_GB1_28 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 226 269 - N_GB1_28 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 226 270 - N_GB1_28 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 226 279 - N_GB1_28 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 226 292 - N_GB1_28 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 226 298 - N_GB1_28 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 226 307 - N_GB1_28 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 226 316 - N_GB1_28 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 226 324 - N_GB1_28 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 226 330 - N_GB1_28 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 226 331 - N_GB1_28 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 226 332 - N_GB1_28 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 226 338 - N_GB1_28 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 226 346 - N_GB1_28 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 226 352 - N_GB1_28 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 226 353 - N_GB1_28 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 226 362 - N_GB1_28 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 226 377 - N_GB1_28 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 226 379 - N_GB1_28 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 226 385 - N_GB1_28 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 226 398 - N_GB1_28 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 226 407 - N_GB1_28 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 226 416 - N_GB1_28 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 226 422 - N_GB1_28 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 226 424 - N_GB1_28 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 226 430 - N_GB1_28 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 226 431 - N_GB1_28 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 226 432 - N_GB1_28 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 226 433 - N_GB1_28 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 226 440 - N_GB1_28 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 226 442 - N_GB1_28 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 226 448 - N_GB1_28 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 226 460 - N_GB1_28 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 226 462 - N_GB1_28 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 226 468 - N_GB1_28 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 226 469 - N_GB1_28 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 226 470 - N_GB1_28 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 226 476 - N_GB1_28 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 226 478 - N_GB1_28 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 226 484 - N_GB1_28 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 226 485 + N_GB1_28 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 226 229 + N_GB1_28 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 226 230 + N_GB1_28 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 226 231 + N_GB1_28 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 226 232 + N_GB1_28 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 226 239 + N_GB1_28 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 226 240 + N_GB1_28 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 226 241 + N_GB1_28 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 226 247 + N_GB1_28 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 226 259 + N_GB1_28 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 226 260 + N_GB1_28 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 226 261 + N_GB1_28 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 226 262 + N_GB1_28 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 226 269 + N_GB1_28 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 226 270 + N_GB1_28 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 226 279 + N_GB1_28 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 226 292 + N_GB1_28 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 226 298 + N_GB1_28 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 226 307 + N_GB1_28 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 226 316 + N_GB1_28 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 226 324 + N_GB1_28 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 226 330 + N_GB1_28 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 226 331 + N_GB1_28 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 226 332 + N_GB1_28 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 226 338 + N_GB1_28 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 226 346 + N_GB1_28 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 226 352 + N_GB1_28 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 226 353 + N_GB1_28 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 226 362 + N_GB1_28 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 226 377 + N_GB1_28 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 226 379 + N_GB1_28 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 226 385 + N_GB1_28 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 226 398 + N_GB1_28 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 226 407 + N_GB1_28 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 226 416 + N_GB1_28 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 226 422 + N_GB1_28 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 226 424 + N_GB1_28 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 226 430 + N_GB1_28 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 226 431 + N_GB1_28 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 226 432 + N_GB1_28 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 226 433 + N_GB1_28 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 226 440 + N_GB1_28 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 226 442 + N_GB1_28 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 226 448 + N_GB1_28 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 226 460 + N_GB1_28 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 226 462 + N_GB1_28 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 226 468 + N_GB1_28 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 226 469 + N_GB1_28 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 226 470 + N_GB1_28 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 226 476 + N_GB1_28 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 226 478 + N_GB1_28 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 226 484 + N_GB1_28 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 226 485 H_GB1_28 H_GB1_28 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 227 227 H_GB1_28 O_GB1_28 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 227 235 H_GB1_28 H_GB1_29 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 227 237 @@ -27540,605 +27540,605 @@ OE2_GB1_27 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- H_GB1_28 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 227 488 H_GB1_28 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 227 490 H_GB1_28 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 227 491 - CB_GB1_28 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 229 233 - CB_GB1_28 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 229 234 + CB_GB1_28 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 229 233 + CB_GB1_28 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 229 234 CB_GB1_28 O_GB1_28 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 229 235 - CB_GB1_28 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 229 236 - CB_GB1_28 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 229 242 + CB_GB1_28 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 229 236 + CB_GB1_28 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 229 242 CB_GB1_28 O_GB1_29 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 229 243 - CB_GB1_28 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 229 244 - CB_GB1_28 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 229 254 + CB_GB1_28 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 229 244 + CB_GB1_28 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 229 254 CB_GB1_28 O_GB1_30 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 229 255 - CB_GB1_28 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 229 256 - CB_GB1_28 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 229 263 - CB_GB1_28 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 229 264 + CB_GB1_28 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 229 256 + CB_GB1_28 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 229 263 + CB_GB1_28 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 229 264 CB_GB1_28 O_GB1_31 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 229 265 - CB_GB1_28 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 229 266 - CB_GB1_28 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 229 271 + CB_GB1_28 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 229 266 + CB_GB1_28 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 229 271 CB_GB1_28 OE1_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 229 272 - CB_GB1_28 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 229 273 - CB_GB1_28 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 229 274 + CB_GB1_28 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 229 273 + CB_GB1_28 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 229 274 CB_GB1_28 O_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 229 275 - CB_GB1_28 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 229 276 - CB_GB1_28 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 229 286 - CB_GB1_28 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 229 287 + CB_GB1_28 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 229 276 + CB_GB1_28 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 229 286 + CB_GB1_28 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 229 287 CB_GB1_28 O_GB1_33 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 229 288 - CB_GB1_28 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 229 289 - CB_GB1_28 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 229 293 + CB_GB1_28 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 229 289 + CB_GB1_28 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 229 293 CB_GB1_28 O_GB1_34 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 229 294 - CB_GB1_28 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 229 295 - CB_GB1_28 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 229 299 + CB_GB1_28 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 229 295 + CB_GB1_28 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 229 299 CB_GB1_28 OD1_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 229 300 - CB_GB1_28 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 229 301 - CB_GB1_28 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 229 302 + CB_GB1_28 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 229 301 + CB_GB1_28 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 229 302 CB_GB1_28 O_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 229 303 - CB_GB1_28 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 229 304 - CB_GB1_28 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 229 308 - CB_GB1_28 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 229 309 - CB_GB1_28 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 229 310 - CB_GB1_28 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 229 311 + CB_GB1_28 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 229 304 + CB_GB1_28 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 229 308 + CB_GB1_28 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 229 309 + CB_GB1_28 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 229 310 + CB_GB1_28 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 229 311 CB_GB1_28 O_GB1_36 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 229 312 - CB_GB1_28 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 229 313 - CB_GB1_28 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 229 317 + CB_GB1_28 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 229 313 + CB_GB1_28 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 229 317 CB_GB1_28 OD1_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 229 318 - CB_GB1_28 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 229 319 - CB_GB1_28 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 229 320 + CB_GB1_28 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 229 319 + CB_GB1_28 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 229 320 CB_GB1_28 O_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 229 321 - CB_GB1_28 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 229 322 - CB_GB1_28 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 229 325 + CB_GB1_28 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 229 322 + CB_GB1_28 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 229 325 CB_GB1_28 O_GB1_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 229 326 - CB_GB1_28 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 229 327 - CB_GB1_28 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 229 333 + CB_GB1_28 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 229 327 + CB_GB1_28 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 229 333 CB_GB1_28 O_GB1_39 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 229 334 - CB_GB1_28 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 229 335 - CB_GB1_28 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 229 339 - CB_GB1_28 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 229 340 - CB_GB1_28 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 229 341 - CB_GB1_28 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 229 342 + CB_GB1_28 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 229 335 + CB_GB1_28 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 229 339 + CB_GB1_28 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 229 340 + CB_GB1_28 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 229 341 + CB_GB1_28 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 229 342 CB_GB1_28 O_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 229 343 - CB_GB1_28 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 229 344 - CB_GB1_28 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 229 347 + CB_GB1_28 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 229 344 + CB_GB1_28 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 229 347 CB_GB1_28 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 229 348 - CB_GB1_28 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 229 349 - CB_GB1_28 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 229 354 - CB_GB1_28 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 229 355 - CB_GB1_28 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 229 356 - CB_GB1_28 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 229 357 + CB_GB1_28 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 229 349 + CB_GB1_28 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 229 354 + CB_GB1_28 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 229 355 + CB_GB1_28 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 229 356 + CB_GB1_28 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 229 357 CB_GB1_28 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 229 358 - CB_GB1_28 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 229 359 - CB_GB1_28 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 229 366 - CB_GB1_28 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 229 372 + CB_GB1_28 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 229 359 + CB_GB1_28 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 229 366 + CB_GB1_28 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 229 372 CB_GB1_28 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 229 373 - CB_GB1_28 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 229 374 - CB_GB1_28 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 229 378 - CB_GB1_28 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 229 380 + CB_GB1_28 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 229 374 + CB_GB1_28 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 229 378 + CB_GB1_28 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 229 380 CB_GB1_28 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 229 381 - CB_GB1_28 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 229 382 - CB_GB1_28 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 229 392 - CB_GB1_28 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 229 393 + CB_GB1_28 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 229 382 + CB_GB1_28 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 229 392 + CB_GB1_28 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 229 393 CB_GB1_28 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 229 394 - CB_GB1_28 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 229 395 - CB_GB1_28 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 229 399 - CB_GB1_28 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 229 400 - CB_GB1_28 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 229 401 - CB_GB1_28 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 229 402 + CB_GB1_28 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 229 395 + CB_GB1_28 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 229 399 + CB_GB1_28 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 229 400 + CB_GB1_28 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 229 401 + CB_GB1_28 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 229 402 CB_GB1_28 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 229 403 - CB_GB1_28 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 229 404 - CB_GB1_28 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 229 408 - CB_GB1_28 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 229 409 - CB_GB1_28 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 229 410 - CB_GB1_28 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 229 411 + CB_GB1_28 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 229 404 + CB_GB1_28 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 229 408 + CB_GB1_28 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 229 409 + CB_GB1_28 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 229 410 + CB_GB1_28 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 229 411 CB_GB1_28 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 229 412 - CB_GB1_28 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 229 413 - CB_GB1_28 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 229 417 + CB_GB1_28 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 229 413 + CB_GB1_28 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 229 417 CB_GB1_28 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 229 418 - CB_GB1_28 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 229 419 - CB_GB1_28 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 229 423 - CB_GB1_28 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 229 425 + CB_GB1_28 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 229 419 + CB_GB1_28 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 229 423 + CB_GB1_28 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 229 425 CB_GB1_28 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 229 426 - CB_GB1_28 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 229 427 - CB_GB1_28 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 229 434 - CB_GB1_28 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 229 435 + CB_GB1_28 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 229 427 + CB_GB1_28 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 229 434 + CB_GB1_28 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 229 435 CB_GB1_28 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 229 436 - CB_GB1_28 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 229 437 - CB_GB1_28 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 229 441 - CB_GB1_28 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 229 443 + CB_GB1_28 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 229 437 + CB_GB1_28 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 229 441 + CB_GB1_28 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 229 443 CB_GB1_28 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 229 444 - CB_GB1_28 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 229 445 - CB_GB1_28 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 229 455 + CB_GB1_28 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 229 445 + CB_GB1_28 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 229 455 CB_GB1_28 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 229 456 - CB_GB1_28 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 229 457 - CB_GB1_28 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 229 461 - CB_GB1_28 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 229 463 + CB_GB1_28 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 229 457 + CB_GB1_28 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 229 461 + CB_GB1_28 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 229 463 CB_GB1_28 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 229 464 - CB_GB1_28 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 229 465 - CB_GB1_28 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 229 471 + CB_GB1_28 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 229 465 + CB_GB1_28 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 229 471 CB_GB1_28 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 229 472 - CB_GB1_28 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 229 473 - CB_GB1_28 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 229 477 - CB_GB1_28 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 229 479 + CB_GB1_28 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 229 473 + CB_GB1_28 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 229 477 + CB_GB1_28 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 229 479 CB_GB1_28 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 229 480 - CB_GB1_28 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 229 481 - CB_GB1_28 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 229 486 - CB_GB1_28 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 229 487 - CB_GB1_28 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 229 488 - CB_GB1_28 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 229 489 - CB_GB1_28 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 229 490 - CB_GB1_28 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 229 491 - CG_GB1_28 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 230 233 - CG_GB1_28 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 230 234 + CB_GB1_28 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 229 481 + CB_GB1_28 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 229 486 + CB_GB1_28 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 229 487 + CB_GB1_28 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 229 488 + CB_GB1_28 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 229 489 + CB_GB1_28 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 229 490 + CB_GB1_28 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 229 491 + CG_GB1_28 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 230 233 + CG_GB1_28 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 230 234 CG_GB1_28 O_GB1_28 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 230 235 - CG_GB1_28 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 230 236 - CG_GB1_28 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 230 242 + CG_GB1_28 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 230 236 + CG_GB1_28 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 230 242 CG_GB1_28 O_GB1_29 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 230 243 - CG_GB1_28 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 230 244 - CG_GB1_28 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 230 254 + CG_GB1_28 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 230 244 + CG_GB1_28 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 230 254 CG_GB1_28 O_GB1_30 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 230 255 - CG_GB1_28 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 230 256 - CG_GB1_28 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 230 263 - CG_GB1_28 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 230 264 + CG_GB1_28 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 230 256 + CG_GB1_28 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 230 263 + CG_GB1_28 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 230 264 CG_GB1_28 O_GB1_31 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 230 265 - CG_GB1_28 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 230 266 - CG_GB1_28 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 230 271 + CG_GB1_28 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 230 266 + CG_GB1_28 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 230 271 CG_GB1_28 OE1_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 230 272 - CG_GB1_28 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 230 273 - CG_GB1_28 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 230 274 + CG_GB1_28 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 230 273 + CG_GB1_28 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 230 274 CG_GB1_28 O_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 230 275 - CG_GB1_28 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 230 276 - CG_GB1_28 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 230 286 - CG_GB1_28 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 230 287 + CG_GB1_28 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 230 276 + CG_GB1_28 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 230 286 + CG_GB1_28 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 230 287 CG_GB1_28 O_GB1_33 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 230 288 - CG_GB1_28 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 230 289 - CG_GB1_28 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 230 293 + CG_GB1_28 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 230 289 + CG_GB1_28 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 230 293 CG_GB1_28 O_GB1_34 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 230 294 - CG_GB1_28 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 230 295 - CG_GB1_28 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 230 299 + CG_GB1_28 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 230 295 + CG_GB1_28 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 230 299 CG_GB1_28 OD1_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 230 300 - CG_GB1_28 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 230 301 - CG_GB1_28 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 230 302 + CG_GB1_28 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 230 301 + CG_GB1_28 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 230 302 CG_GB1_28 O_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 230 303 - CG_GB1_28 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 230 304 - CG_GB1_28 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 230 308 - CG_GB1_28 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 230 309 - CG_GB1_28 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 230 310 - CG_GB1_28 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 230 311 + CG_GB1_28 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 230 304 + CG_GB1_28 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 230 308 + CG_GB1_28 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 230 309 + CG_GB1_28 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 230 310 + CG_GB1_28 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 230 311 CG_GB1_28 O_GB1_36 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 230 312 - CG_GB1_28 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 230 313 - CG_GB1_28 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 230 317 + CG_GB1_28 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 230 313 + CG_GB1_28 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 230 317 CG_GB1_28 OD1_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 230 318 - CG_GB1_28 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 230 319 - CG_GB1_28 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 230 320 + CG_GB1_28 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 230 319 + CG_GB1_28 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 230 320 CG_GB1_28 O_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 230 321 - CG_GB1_28 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 230 322 - CG_GB1_28 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 230 325 + CG_GB1_28 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 230 322 + CG_GB1_28 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 230 325 CG_GB1_28 O_GB1_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 230 326 - CG_GB1_28 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 230 327 - CG_GB1_28 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 230 333 + CG_GB1_28 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 230 327 + CG_GB1_28 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 230 333 CG_GB1_28 O_GB1_39 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 230 334 - CG_GB1_28 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 230 335 - CG_GB1_28 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 230 339 - CG_GB1_28 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 230 340 - CG_GB1_28 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 230 341 - CG_GB1_28 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 230 342 + CG_GB1_28 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 230 335 + CG_GB1_28 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 230 339 + CG_GB1_28 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 230 340 + CG_GB1_28 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 230 341 + CG_GB1_28 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 230 342 CG_GB1_28 O_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 230 343 - CG_GB1_28 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 230 344 - CG_GB1_28 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 230 347 + CG_GB1_28 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 230 344 + CG_GB1_28 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 230 347 CG_GB1_28 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 230 348 - CG_GB1_28 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 230 349 - CG_GB1_28 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 230 354 - CG_GB1_28 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 230 355 - CG_GB1_28 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 230 356 - CG_GB1_28 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 230 357 + CG_GB1_28 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 230 349 + CG_GB1_28 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 230 354 + CG_GB1_28 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 230 355 + CG_GB1_28 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 230 356 + CG_GB1_28 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 230 357 CG_GB1_28 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 230 358 - CG_GB1_28 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 230 359 - CG_GB1_28 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 230 366 - CG_GB1_28 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 230 372 + CG_GB1_28 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 230 359 + CG_GB1_28 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 230 366 + CG_GB1_28 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 230 372 CG_GB1_28 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 230 373 - CG_GB1_28 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 230 374 - CG_GB1_28 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 230 378 - CG_GB1_28 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 230 380 + CG_GB1_28 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 230 374 + CG_GB1_28 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 230 378 + CG_GB1_28 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 230 380 CG_GB1_28 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 230 381 - CG_GB1_28 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 230 382 - CG_GB1_28 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 230 392 - CG_GB1_28 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 230 393 + CG_GB1_28 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 230 382 + CG_GB1_28 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 230 392 + CG_GB1_28 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 230 393 CG_GB1_28 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 230 394 - CG_GB1_28 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 230 395 - CG_GB1_28 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 230 399 - CG_GB1_28 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 230 400 - CG_GB1_28 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 230 401 - CG_GB1_28 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 230 402 + CG_GB1_28 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 230 395 + CG_GB1_28 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 230 399 + CG_GB1_28 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 230 400 + CG_GB1_28 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 230 401 + CG_GB1_28 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 230 402 CG_GB1_28 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 230 403 - CG_GB1_28 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 230 404 - CG_GB1_28 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 230 408 - CG_GB1_28 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 230 409 - CG_GB1_28 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 230 410 - CG_GB1_28 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 230 411 + CG_GB1_28 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 230 404 + CG_GB1_28 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 230 408 + CG_GB1_28 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 230 409 + CG_GB1_28 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 230 410 + CG_GB1_28 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 230 411 CG_GB1_28 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 230 412 - CG_GB1_28 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 230 413 - CG_GB1_28 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 230 417 + CG_GB1_28 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 230 413 + CG_GB1_28 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 230 417 CG_GB1_28 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 230 418 - CG_GB1_28 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 230 419 - CG_GB1_28 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 230 423 - CG_GB1_28 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 230 425 + CG_GB1_28 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 230 419 + CG_GB1_28 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 230 423 + CG_GB1_28 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 230 425 CG_GB1_28 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 230 426 - CG_GB1_28 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 230 427 - CG_GB1_28 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 230 434 - CG_GB1_28 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 230 435 + CG_GB1_28 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 230 427 + CG_GB1_28 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 230 434 + CG_GB1_28 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 230 435 CG_GB1_28 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 230 436 - CG_GB1_28 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 230 437 - CG_GB1_28 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 230 441 - CG_GB1_28 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 230 443 + CG_GB1_28 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 230 437 + CG_GB1_28 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 230 441 + CG_GB1_28 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 230 443 CG_GB1_28 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 230 444 - CG_GB1_28 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 230 445 - CG_GB1_28 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 230 455 + CG_GB1_28 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 230 445 + CG_GB1_28 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 230 455 CG_GB1_28 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 230 456 - CG_GB1_28 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 230 457 - CG_GB1_28 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 230 461 - CG_GB1_28 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 230 463 + CG_GB1_28 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 230 457 + CG_GB1_28 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 230 461 + CG_GB1_28 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 230 463 CG_GB1_28 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 230 464 - CG_GB1_28 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 230 465 - CG_GB1_28 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 230 471 + CG_GB1_28 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 230 465 + CG_GB1_28 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 230 471 CG_GB1_28 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 230 472 - CG_GB1_28 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 230 473 - CG_GB1_28 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 230 477 - CG_GB1_28 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 230 479 + CG_GB1_28 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 230 473 + CG_GB1_28 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 230 477 + CG_GB1_28 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 230 479 CG_GB1_28 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 230 480 - CG_GB1_28 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 230 481 - CG_GB1_28 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 230 486 - CG_GB1_28 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 230 487 - CG_GB1_28 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 230 488 - CG_GB1_28 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 230 489 - CG_GB1_28 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 230 490 - CG_GB1_28 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 230 491 - CD_GB1_28 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 231 233 - CD_GB1_28 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 231 234 + CG_GB1_28 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 230 481 + CG_GB1_28 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 230 486 + CG_GB1_28 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 230 487 + CG_GB1_28 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 230 488 + CG_GB1_28 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 230 489 + CG_GB1_28 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 230 490 + CG_GB1_28 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 230 491 + CD_GB1_28 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 231 233 + CD_GB1_28 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 231 234 CD_GB1_28 O_GB1_28 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 231 235 - CD_GB1_28 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 231 236 - CD_GB1_28 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 231 242 + CD_GB1_28 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 231 236 + CD_GB1_28 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 231 242 CD_GB1_28 O_GB1_29 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 231 243 - CD_GB1_28 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 231 244 - CD_GB1_28 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 231 254 + CD_GB1_28 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 231 244 + CD_GB1_28 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 231 254 CD_GB1_28 O_GB1_30 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 231 255 - CD_GB1_28 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 231 256 - CD_GB1_28 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 231 263 - CD_GB1_28 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 231 264 + CD_GB1_28 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 231 256 + CD_GB1_28 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 231 263 + CD_GB1_28 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 231 264 CD_GB1_28 O_GB1_31 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 231 265 - CD_GB1_28 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 231 266 - CD_GB1_28 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 231 271 + CD_GB1_28 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 231 266 + CD_GB1_28 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 231 271 CD_GB1_28 OE1_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 231 272 - CD_GB1_28 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 231 273 - CD_GB1_28 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 231 274 + CD_GB1_28 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 231 273 + CD_GB1_28 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 231 274 CD_GB1_28 O_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 231 275 - CD_GB1_28 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 231 276 - CD_GB1_28 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 231 286 - CD_GB1_28 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 231 287 + CD_GB1_28 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 231 276 + CD_GB1_28 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 231 286 + CD_GB1_28 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 231 287 CD_GB1_28 O_GB1_33 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 231 288 - CD_GB1_28 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 231 289 - CD_GB1_28 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 231 293 + CD_GB1_28 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 231 289 + CD_GB1_28 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 231 293 CD_GB1_28 O_GB1_34 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 231 294 - CD_GB1_28 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 231 295 - CD_GB1_28 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 231 299 + CD_GB1_28 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 231 295 + CD_GB1_28 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 231 299 CD_GB1_28 OD1_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 231 300 - CD_GB1_28 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 231 301 - CD_GB1_28 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 231 302 + CD_GB1_28 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 231 301 + CD_GB1_28 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 231 302 CD_GB1_28 O_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 231 303 - CD_GB1_28 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 231 304 - CD_GB1_28 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 231 308 - CD_GB1_28 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 231 309 - CD_GB1_28 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 231 310 - CD_GB1_28 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 231 311 + CD_GB1_28 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 231 304 + CD_GB1_28 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 231 308 + CD_GB1_28 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 231 309 + CD_GB1_28 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 231 310 + CD_GB1_28 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 231 311 CD_GB1_28 O_GB1_36 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 231 312 - CD_GB1_28 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 231 313 - CD_GB1_28 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 231 317 + CD_GB1_28 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 231 313 + CD_GB1_28 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 231 317 CD_GB1_28 OD1_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 231 318 - CD_GB1_28 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 231 319 - CD_GB1_28 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 231 320 + CD_GB1_28 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 231 319 + CD_GB1_28 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 231 320 CD_GB1_28 O_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 231 321 - CD_GB1_28 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 231 322 - CD_GB1_28 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 231 325 + CD_GB1_28 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 231 322 + CD_GB1_28 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 231 325 CD_GB1_28 O_GB1_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 231 326 - CD_GB1_28 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 231 327 - CD_GB1_28 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 231 333 + CD_GB1_28 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 231 327 + CD_GB1_28 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 231 333 CD_GB1_28 O_GB1_39 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 231 334 - CD_GB1_28 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 231 335 - CD_GB1_28 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 231 339 - CD_GB1_28 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 231 340 - CD_GB1_28 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 231 341 - CD_GB1_28 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 231 342 + CD_GB1_28 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 231 335 + CD_GB1_28 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 231 339 + CD_GB1_28 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 231 340 + CD_GB1_28 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 231 341 + CD_GB1_28 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 231 342 CD_GB1_28 O_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 231 343 - CD_GB1_28 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 231 344 - CD_GB1_28 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 231 347 + CD_GB1_28 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 231 344 + CD_GB1_28 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 231 347 CD_GB1_28 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 231 348 - CD_GB1_28 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 231 349 - CD_GB1_28 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 231 354 - CD_GB1_28 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 231 355 - CD_GB1_28 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 231 356 - CD_GB1_28 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 231 357 + CD_GB1_28 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 231 349 + CD_GB1_28 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 231 354 + CD_GB1_28 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 231 355 + CD_GB1_28 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 231 356 + CD_GB1_28 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 231 357 CD_GB1_28 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 231 358 - CD_GB1_28 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 231 359 - CD_GB1_28 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 231 366 - CD_GB1_28 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 231 372 + CD_GB1_28 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 231 359 + CD_GB1_28 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 231 366 + CD_GB1_28 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 231 372 CD_GB1_28 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 231 373 - CD_GB1_28 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 231 374 - CD_GB1_28 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 231 378 - CD_GB1_28 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 231 380 + CD_GB1_28 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 231 374 + CD_GB1_28 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 231 378 + CD_GB1_28 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 231 380 CD_GB1_28 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 231 381 - CD_GB1_28 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 231 382 - CD_GB1_28 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 231 392 - CD_GB1_28 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 231 393 + CD_GB1_28 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 231 382 + CD_GB1_28 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 231 392 + CD_GB1_28 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 231 393 CD_GB1_28 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 231 394 - CD_GB1_28 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 231 395 - CD_GB1_28 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 231 399 - CD_GB1_28 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 231 400 - CD_GB1_28 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 231 401 - CD_GB1_28 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 231 402 + CD_GB1_28 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 231 395 + CD_GB1_28 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 231 399 + CD_GB1_28 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 231 400 + CD_GB1_28 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 231 401 + CD_GB1_28 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 231 402 CD_GB1_28 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 231 403 - CD_GB1_28 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 231 404 - CD_GB1_28 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 231 408 - CD_GB1_28 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 231 409 - CD_GB1_28 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 231 410 - CD_GB1_28 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 231 411 + CD_GB1_28 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 231 404 + CD_GB1_28 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 231 408 + CD_GB1_28 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 231 409 + CD_GB1_28 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 231 410 + CD_GB1_28 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 231 411 CD_GB1_28 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 231 412 - CD_GB1_28 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 231 413 - CD_GB1_28 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 231 417 + CD_GB1_28 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 231 413 + CD_GB1_28 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 231 417 CD_GB1_28 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 231 418 - CD_GB1_28 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 231 419 - CD_GB1_28 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 231 423 - CD_GB1_28 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 231 425 + CD_GB1_28 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 231 419 + CD_GB1_28 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 231 423 + CD_GB1_28 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 231 425 CD_GB1_28 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 231 426 - CD_GB1_28 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 231 427 - CD_GB1_28 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 231 434 - CD_GB1_28 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 231 435 + CD_GB1_28 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 231 427 + CD_GB1_28 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 231 434 + CD_GB1_28 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 231 435 CD_GB1_28 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 231 436 - CD_GB1_28 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 231 437 - CD_GB1_28 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 231 441 - CD_GB1_28 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 231 443 + CD_GB1_28 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 231 437 + CD_GB1_28 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 231 441 + CD_GB1_28 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 231 443 CD_GB1_28 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 231 444 - CD_GB1_28 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 231 445 - CD_GB1_28 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 231 455 + CD_GB1_28 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 231 445 + CD_GB1_28 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 231 455 CD_GB1_28 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 231 456 - CD_GB1_28 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 231 457 - CD_GB1_28 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 231 461 - CD_GB1_28 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 231 463 + CD_GB1_28 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 231 457 + CD_GB1_28 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 231 461 + CD_GB1_28 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 231 463 CD_GB1_28 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 231 464 - CD_GB1_28 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 231 465 - CD_GB1_28 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 231 471 + CD_GB1_28 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 231 465 + CD_GB1_28 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 231 471 CD_GB1_28 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 231 472 - CD_GB1_28 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 231 473 - CD_GB1_28 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 231 477 - CD_GB1_28 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 231 479 + CD_GB1_28 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 231 473 + CD_GB1_28 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 231 477 + CD_GB1_28 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 231 479 CD_GB1_28 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 231 480 - CD_GB1_28 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 231 481 - CD_GB1_28 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 231 486 - CD_GB1_28 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 231 487 - CD_GB1_28 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 231 488 - CD_GB1_28 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 231 489 - CD_GB1_28 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 231 490 - CD_GB1_28 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 231 491 - CE_GB1_28 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 232 233 - CE_GB1_28 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 232 234 + CD_GB1_28 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 231 481 + CD_GB1_28 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 231 486 + CD_GB1_28 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 231 487 + CD_GB1_28 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 231 488 + CD_GB1_28 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 231 489 + CD_GB1_28 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 231 490 + CD_GB1_28 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 231 491 + CE_GB1_28 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 232 233 + CE_GB1_28 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 232 234 CE_GB1_28 O_GB1_28 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 232 235 - CE_GB1_28 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 232 236 - CE_GB1_28 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 232 242 + CE_GB1_28 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 232 236 + CE_GB1_28 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 232 242 CE_GB1_28 O_GB1_29 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 232 243 - CE_GB1_28 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 232 244 - CE_GB1_28 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 232 254 + CE_GB1_28 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 232 244 + CE_GB1_28 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 232 254 CE_GB1_28 O_GB1_30 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 232 255 - CE_GB1_28 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 232 256 - CE_GB1_28 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 232 263 - CE_GB1_28 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 232 264 + CE_GB1_28 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 232 256 + CE_GB1_28 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 232 263 + CE_GB1_28 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 232 264 CE_GB1_28 O_GB1_31 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 232 265 - CE_GB1_28 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 232 266 - CE_GB1_28 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 232 271 + CE_GB1_28 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 232 266 + CE_GB1_28 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 232 271 CE_GB1_28 OE1_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 232 272 - CE_GB1_28 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 232 273 - CE_GB1_28 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 232 274 + CE_GB1_28 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 232 273 + CE_GB1_28 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 232 274 CE_GB1_28 O_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 232 275 - CE_GB1_28 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 232 276 - CE_GB1_28 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 232 286 - CE_GB1_28 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 232 287 + CE_GB1_28 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 232 276 + CE_GB1_28 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 232 286 + CE_GB1_28 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 232 287 CE_GB1_28 O_GB1_33 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 232 288 - CE_GB1_28 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 232 289 - CE_GB1_28 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 232 293 + CE_GB1_28 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 232 289 + CE_GB1_28 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 232 293 CE_GB1_28 O_GB1_34 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 232 294 - CE_GB1_28 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 232 295 - CE_GB1_28 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 232 299 + CE_GB1_28 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 232 295 + CE_GB1_28 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 232 299 CE_GB1_28 OD1_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 232 300 - CE_GB1_28 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 232 301 - CE_GB1_28 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 232 302 + CE_GB1_28 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 232 301 + CE_GB1_28 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 232 302 CE_GB1_28 O_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 232 303 - CE_GB1_28 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 232 304 - CE_GB1_28 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 232 308 - CE_GB1_28 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 232 309 - CE_GB1_28 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 232 310 - CE_GB1_28 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 232 311 + CE_GB1_28 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 232 304 + CE_GB1_28 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 232 308 + CE_GB1_28 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 232 309 + CE_GB1_28 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 232 310 + CE_GB1_28 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 232 311 CE_GB1_28 O_GB1_36 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 232 312 - CE_GB1_28 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 232 313 - CE_GB1_28 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 232 317 + CE_GB1_28 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 232 313 + CE_GB1_28 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 232 317 CE_GB1_28 OD1_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 232 318 - CE_GB1_28 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 232 319 - CE_GB1_28 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 232 320 + CE_GB1_28 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 232 319 + CE_GB1_28 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 232 320 CE_GB1_28 O_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 232 321 - CE_GB1_28 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 232 322 - CE_GB1_28 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 232 325 + CE_GB1_28 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 232 322 + CE_GB1_28 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 232 325 CE_GB1_28 O_GB1_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 232 326 - CE_GB1_28 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 232 327 - CE_GB1_28 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 232 333 + CE_GB1_28 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 232 327 + CE_GB1_28 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 232 333 CE_GB1_28 O_GB1_39 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 232 334 - CE_GB1_28 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 232 335 - CE_GB1_28 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 232 339 - CE_GB1_28 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 232 340 - CE_GB1_28 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 232 341 - CE_GB1_28 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 232 342 + CE_GB1_28 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 232 335 + CE_GB1_28 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 232 339 + CE_GB1_28 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 232 340 + CE_GB1_28 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 232 341 + CE_GB1_28 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 232 342 CE_GB1_28 O_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 232 343 - CE_GB1_28 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 232 344 - CE_GB1_28 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 232 347 + CE_GB1_28 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 232 344 + CE_GB1_28 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 232 347 CE_GB1_28 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 232 348 - CE_GB1_28 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 232 349 - CE_GB1_28 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 232 354 - CE_GB1_28 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 232 355 - CE_GB1_28 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 232 356 - CE_GB1_28 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 232 357 + CE_GB1_28 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 232 349 + CE_GB1_28 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 232 354 + CE_GB1_28 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 232 355 + CE_GB1_28 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 232 356 + CE_GB1_28 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 232 357 CE_GB1_28 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 232 358 - CE_GB1_28 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 232 359 - CE_GB1_28 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 232 366 - CE_GB1_28 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 232 372 + CE_GB1_28 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 232 359 + CE_GB1_28 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 232 366 + CE_GB1_28 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 232 372 CE_GB1_28 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 232 373 - CE_GB1_28 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 232 374 - CE_GB1_28 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 232 378 - CE_GB1_28 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 232 380 + CE_GB1_28 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 232 374 + CE_GB1_28 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 232 378 + CE_GB1_28 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 232 380 CE_GB1_28 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 232 381 - CE_GB1_28 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 232 382 - CE_GB1_28 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 232 392 - CE_GB1_28 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 232 393 + CE_GB1_28 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 232 382 + CE_GB1_28 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 232 392 + CE_GB1_28 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 232 393 CE_GB1_28 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 232 394 - CE_GB1_28 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 232 395 - CE_GB1_28 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 232 399 - CE_GB1_28 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 232 400 - CE_GB1_28 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 232 401 - CE_GB1_28 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 232 402 + CE_GB1_28 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 232 395 + CE_GB1_28 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 232 399 + CE_GB1_28 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 232 400 + CE_GB1_28 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 232 401 + CE_GB1_28 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 232 402 CE_GB1_28 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 232 403 - CE_GB1_28 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 232 404 - CE_GB1_28 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 232 408 - CE_GB1_28 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 232 409 - CE_GB1_28 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 232 410 - CE_GB1_28 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 232 411 + CE_GB1_28 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 232 404 + CE_GB1_28 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 232 408 + CE_GB1_28 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 232 409 + CE_GB1_28 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 232 410 + CE_GB1_28 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 232 411 CE_GB1_28 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 232 412 - CE_GB1_28 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 232 413 - CE_GB1_28 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 232 417 + CE_GB1_28 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 232 413 + CE_GB1_28 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 232 417 CE_GB1_28 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 232 418 - CE_GB1_28 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 232 419 - CE_GB1_28 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 232 423 - CE_GB1_28 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 232 425 + CE_GB1_28 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 232 419 + CE_GB1_28 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 232 423 + CE_GB1_28 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 232 425 CE_GB1_28 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 232 426 - CE_GB1_28 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 232 427 - CE_GB1_28 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 232 434 - CE_GB1_28 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 232 435 + CE_GB1_28 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 232 427 + CE_GB1_28 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 232 434 + CE_GB1_28 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 232 435 CE_GB1_28 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 232 436 - CE_GB1_28 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 232 437 - CE_GB1_28 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 232 441 - CE_GB1_28 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 232 443 + CE_GB1_28 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 232 437 + CE_GB1_28 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 232 441 + CE_GB1_28 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 232 443 CE_GB1_28 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 232 444 - CE_GB1_28 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 232 445 - CE_GB1_28 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 232 455 + CE_GB1_28 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 232 445 + CE_GB1_28 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 232 455 CE_GB1_28 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 232 456 - CE_GB1_28 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 232 457 - CE_GB1_28 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 232 461 - CE_GB1_28 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 232 463 + CE_GB1_28 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 232 457 + CE_GB1_28 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 232 461 + CE_GB1_28 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 232 463 CE_GB1_28 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 232 464 - CE_GB1_28 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 232 465 - CE_GB1_28 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 232 471 + CE_GB1_28 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 232 465 + CE_GB1_28 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 232 471 CE_GB1_28 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 232 472 - CE_GB1_28 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 232 473 - CE_GB1_28 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 232 477 - CE_GB1_28 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 232 479 + CE_GB1_28 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 232 473 + CE_GB1_28 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 232 477 + CE_GB1_28 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 232 479 CE_GB1_28 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 232 480 - CE_GB1_28 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 232 481 - CE_GB1_28 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 232 486 - CE_GB1_28 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 232 487 - CE_GB1_28 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 232 488 - CE_GB1_28 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 232 489 - CE_GB1_28 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 232 490 - CE_GB1_28 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 232 491 + CE_GB1_28 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 232 481 + CE_GB1_28 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 232 486 + CE_GB1_28 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 232 487 + CE_GB1_28 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 232 488 + CE_GB1_28 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 232 489 + CE_GB1_28 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 232 490 + CE_GB1_28 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 232 491 NZ_GB1_28 NZ_GB1_28 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.0 1.0 1.0 1.0 False mg 7 233 233 - NZ_GB1_28 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 233 239 - NZ_GB1_28 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 233 240 - NZ_GB1_28 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 233 241 - NZ_GB1_28 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 233 247 - NZ_GB1_28 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 233 259 - NZ_GB1_28 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 233 260 - NZ_GB1_28 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 233 261 - NZ_GB1_28 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 233 262 + NZ_GB1_28 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 233 239 + NZ_GB1_28 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 233 240 + NZ_GB1_28 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 233 241 + NZ_GB1_28 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 233 247 + NZ_GB1_28 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 233 259 + NZ_GB1_28 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 233 260 + NZ_GB1_28 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 233 261 + NZ_GB1_28 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 233 262 NZ_GB1_28 NZ_GB1_31 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.0 1.0 1.0 1.0 False mg 7 233 263 - NZ_GB1_28 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 233 269 - NZ_GB1_28 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 233 270 - NZ_GB1_28 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 233 279 - NZ_GB1_28 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 233 292 - NZ_GB1_28 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 233 298 - NZ_GB1_28 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 233 307 - NZ_GB1_28 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 233 316 - NZ_GB1_28 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 233 324 - NZ_GB1_28 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 233 330 - NZ_GB1_28 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 233 331 - NZ_GB1_28 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 233 332 - NZ_GB1_28 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 233 338 - NZ_GB1_28 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 233 346 - NZ_GB1_28 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 233 352 - NZ_GB1_28 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 233 353 - NZ_GB1_28 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 233 362 - NZ_GB1_28 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 233 377 - NZ_GB1_28 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 233 379 - NZ_GB1_28 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 233 385 - NZ_GB1_28 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 233 398 - NZ_GB1_28 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 233 407 - NZ_GB1_28 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 233 416 - NZ_GB1_28 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 233 422 - NZ_GB1_28 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 233 424 - NZ_GB1_28 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 233 430 - NZ_GB1_28 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 233 431 - NZ_GB1_28 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 233 432 - NZ_GB1_28 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 233 433 + NZ_GB1_28 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 233 269 + NZ_GB1_28 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 233 270 + NZ_GB1_28 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 233 279 + NZ_GB1_28 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 233 292 + NZ_GB1_28 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 233 298 + NZ_GB1_28 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 233 307 + NZ_GB1_28 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 233 316 + NZ_GB1_28 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 233 324 + NZ_GB1_28 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 233 330 + NZ_GB1_28 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 233 331 + NZ_GB1_28 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 233 332 + NZ_GB1_28 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 233 338 + NZ_GB1_28 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 233 346 + NZ_GB1_28 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 233 352 + NZ_GB1_28 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 233 353 + NZ_GB1_28 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 233 362 + NZ_GB1_28 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 233 377 + NZ_GB1_28 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 233 379 + NZ_GB1_28 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 233 385 + NZ_GB1_28 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 233 398 + NZ_GB1_28 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 233 407 + NZ_GB1_28 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 233 416 + NZ_GB1_28 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 233 422 + NZ_GB1_28 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 233 424 + NZ_GB1_28 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 233 430 + NZ_GB1_28 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 233 431 + NZ_GB1_28 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 233 432 + NZ_GB1_28 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 233 433 NZ_GB1_28 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.0 1.0 1.0 1.0 False mg 7 233 434 - NZ_GB1_28 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 233 440 - NZ_GB1_28 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 233 442 - NZ_GB1_28 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 233 448 - NZ_GB1_28 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 233 460 - NZ_GB1_28 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 233 462 - NZ_GB1_28 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 233 468 - NZ_GB1_28 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 233 469 - NZ_GB1_28 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 233 470 - NZ_GB1_28 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 233 476 - NZ_GB1_28 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 233 478 - NZ_GB1_28 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 233 484 - NZ_GB1_28 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 233 485 - C_GB1_28 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 234 239 - C_GB1_28 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 234 240 - C_GB1_28 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 234 241 - C_GB1_28 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 234 247 - C_GB1_28 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 234 259 - C_GB1_28 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 234 260 - C_GB1_28 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 234 261 - C_GB1_28 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 234 262 - C_GB1_28 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 234 269 - C_GB1_28 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 234 270 - C_GB1_28 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 234 279 - C_GB1_28 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 234 292 - C_GB1_28 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 234 298 - C_GB1_28 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 234 307 - C_GB1_28 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 234 316 - C_GB1_28 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 234 324 - C_GB1_28 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 234 330 - C_GB1_28 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 234 331 - C_GB1_28 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 234 332 - C_GB1_28 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 234 338 - C_GB1_28 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 234 346 - C_GB1_28 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 234 352 - C_GB1_28 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 234 353 - C_GB1_28 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 234 362 - C_GB1_28 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 234 377 - C_GB1_28 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 234 379 - C_GB1_28 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 234 385 - C_GB1_28 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 234 398 - C_GB1_28 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 234 407 - C_GB1_28 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 234 416 - C_GB1_28 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 234 422 - C_GB1_28 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 234 424 - C_GB1_28 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 234 430 - C_GB1_28 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 234 431 - C_GB1_28 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 234 432 - C_GB1_28 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 234 433 - C_GB1_28 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 234 440 - C_GB1_28 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 234 442 - C_GB1_28 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 234 448 - C_GB1_28 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 234 460 - C_GB1_28 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 234 462 - C_GB1_28 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 234 468 - C_GB1_28 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 234 469 - C_GB1_28 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 234 470 - C_GB1_28 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 234 476 - C_GB1_28 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 234 478 - C_GB1_28 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 234 484 - C_GB1_28 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 234 485 + NZ_GB1_28 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 233 440 + NZ_GB1_28 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 233 442 + NZ_GB1_28 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 233 448 + NZ_GB1_28 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 233 460 + NZ_GB1_28 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 233 462 + NZ_GB1_28 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 233 468 + NZ_GB1_28 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 233 469 + NZ_GB1_28 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 233 470 + NZ_GB1_28 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 233 476 + NZ_GB1_28 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 233 478 + NZ_GB1_28 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 233 484 + NZ_GB1_28 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 233 485 + C_GB1_28 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 234 239 + C_GB1_28 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 234 240 + C_GB1_28 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 234 241 + C_GB1_28 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 234 247 + C_GB1_28 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 234 259 + C_GB1_28 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 234 260 + C_GB1_28 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 234 261 + C_GB1_28 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 234 262 + C_GB1_28 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 234 269 + C_GB1_28 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 234 270 + C_GB1_28 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 234 279 + C_GB1_28 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 234 292 + C_GB1_28 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 234 298 + C_GB1_28 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 234 307 + C_GB1_28 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 234 316 + C_GB1_28 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 234 324 + C_GB1_28 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 234 330 + C_GB1_28 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 234 331 + C_GB1_28 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 234 332 + C_GB1_28 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 234 338 + C_GB1_28 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 234 346 + C_GB1_28 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 234 352 + C_GB1_28 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 234 353 + C_GB1_28 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 234 362 + C_GB1_28 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 234 377 + C_GB1_28 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 234 379 + C_GB1_28 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 234 385 + C_GB1_28 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 234 398 + C_GB1_28 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 234 407 + C_GB1_28 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 234 416 + C_GB1_28 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 234 422 + C_GB1_28 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 234 424 + C_GB1_28 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 234 430 + C_GB1_28 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 234 431 + C_GB1_28 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 234 432 + C_GB1_28 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 234 433 + C_GB1_28 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 234 440 + C_GB1_28 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 234 442 + C_GB1_28 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 234 448 + C_GB1_28 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 234 460 + C_GB1_28 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 234 462 + C_GB1_28 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 234 468 + C_GB1_28 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 234 469 + C_GB1_28 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 234 470 + C_GB1_28 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 234 476 + C_GB1_28 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 234 478 + C_GB1_28 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 234 484 + C_GB1_28 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 234 485 O_GB1_28 O_GB1_28 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 235 235 O_GB1_28 H_GB1_29 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 235 237 O_GB1_28 CB_GB1_29 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 235 239 @@ -28260,54 +28260,54 @@ OE2_GB1_27 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- O_GB1_28 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 235 488 O_GB1_28 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 235 490 O_GB1_28 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 235 491 - N_GB1_29 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 236 239 - N_GB1_29 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 236 240 - N_GB1_29 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 236 241 - N_GB1_29 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 236 247 - N_GB1_29 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 236 259 - N_GB1_29 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 236 260 - N_GB1_29 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 236 261 - N_GB1_29 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 236 262 - N_GB1_29 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 236 269 - N_GB1_29 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 236 270 - N_GB1_29 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 236 279 - N_GB1_29 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 236 292 - N_GB1_29 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 236 298 - N_GB1_29 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 236 307 - N_GB1_29 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 236 316 - N_GB1_29 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 236 324 - N_GB1_29 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 236 330 - N_GB1_29 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 236 331 - N_GB1_29 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 236 332 - N_GB1_29 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 236 338 - N_GB1_29 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 236 346 - N_GB1_29 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 236 352 - N_GB1_29 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 236 353 - N_GB1_29 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 236 362 - N_GB1_29 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 236 377 - N_GB1_29 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 236 379 - N_GB1_29 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 236 385 - N_GB1_29 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 236 398 - N_GB1_29 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 236 407 - N_GB1_29 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 236 416 - N_GB1_29 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 236 422 - N_GB1_29 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 236 424 - N_GB1_29 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 236 430 - N_GB1_29 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 236 431 - N_GB1_29 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 236 432 - N_GB1_29 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 236 433 - N_GB1_29 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 236 440 - N_GB1_29 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 236 442 - N_GB1_29 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 236 448 - N_GB1_29 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 236 460 - N_GB1_29 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 236 462 - N_GB1_29 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 236 468 - N_GB1_29 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 236 469 - N_GB1_29 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 236 470 - N_GB1_29 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 236 476 - N_GB1_29 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 236 478 - N_GB1_29 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 236 484 - N_GB1_29 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 236 485 + N_GB1_29 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 236 239 + N_GB1_29 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 236 240 + N_GB1_29 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 236 241 + N_GB1_29 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 236 247 + N_GB1_29 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 236 259 + N_GB1_29 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 236 260 + N_GB1_29 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 236 261 + N_GB1_29 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 236 262 + N_GB1_29 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 236 269 + N_GB1_29 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 236 270 + N_GB1_29 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 236 279 + N_GB1_29 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 236 292 + N_GB1_29 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 236 298 + N_GB1_29 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 236 307 + N_GB1_29 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 236 316 + N_GB1_29 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 236 324 + N_GB1_29 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 236 330 + N_GB1_29 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 236 331 + N_GB1_29 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 236 332 + N_GB1_29 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 236 338 + N_GB1_29 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 236 346 + N_GB1_29 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 236 352 + N_GB1_29 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 236 353 + N_GB1_29 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 236 362 + N_GB1_29 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 236 377 + N_GB1_29 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 236 379 + N_GB1_29 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 236 385 + N_GB1_29 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 236 398 + N_GB1_29 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 236 407 + N_GB1_29 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 236 416 + N_GB1_29 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 236 422 + N_GB1_29 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 236 424 + N_GB1_29 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 236 430 + N_GB1_29 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 236 431 + N_GB1_29 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 236 432 + N_GB1_29 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 236 433 + N_GB1_29 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 236 440 + N_GB1_29 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 236 442 + N_GB1_29 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 236 448 + N_GB1_29 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 236 460 + N_GB1_29 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 236 462 + N_GB1_29 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 236 468 + N_GB1_29 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 236 469 + N_GB1_29 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 236 470 + N_GB1_29 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 236 476 + N_GB1_29 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 236 478 + N_GB1_29 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 236 484 + N_GB1_29 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 236 485 H_GB1_29 H_GB1_29 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 237 237 H_GB1_29 O_GB1_29 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 237 243 H_GB1_29 H_GB1_30 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 237 245 @@ -28387,414 +28387,414 @@ OE2_GB1_27 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- H_GB1_29 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 237 488 H_GB1_29 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 237 490 H_GB1_29 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 237 491 - CB_GB1_29 C_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 239 242 + CB_GB1_29 C_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 239 242 CB_GB1_29 O_GB1_29 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 239 243 - CB_GB1_29 N_GB1_30 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 239 244 - CB_GB1_29 C_GB1_30 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 239 254 + CB_GB1_29 N_GB1_30 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 239 244 + CB_GB1_29 C_GB1_30 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 239 254 CB_GB1_29 O_GB1_30 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 239 255 - CB_GB1_29 N_GB1_31 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 239 256 - CB_GB1_29 NZ_GB1_31 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 239 263 - CB_GB1_29 C_GB1_31 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 239 264 + CB_GB1_29 N_GB1_31 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 239 256 + CB_GB1_29 NZ_GB1_31 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 239 263 + CB_GB1_29 C_GB1_31 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 239 264 CB_GB1_29 O_GB1_31 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 239 265 - CB_GB1_29 N_GB1_32 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 239 266 - CB_GB1_29 CD_GB1_32 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 239 271 + CB_GB1_29 N_GB1_32 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 239 266 + CB_GB1_29 CD_GB1_32 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 239 271 CB_GB1_29 OE1_GB1_32 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 239 272 - CB_GB1_29 NE2_GB1_32 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 239 273 - CB_GB1_29 C_GB1_32 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 239 274 + CB_GB1_29 NE2_GB1_32 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 239 273 + CB_GB1_29 C_GB1_32 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 239 274 CB_GB1_29 O_GB1_32 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 239 275 - CB_GB1_29 N_GB1_33 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 239 276 - CB_GB1_29 OH_GB1_33 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 239 286 - CB_GB1_29 C_GB1_33 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 239 287 + CB_GB1_29 N_GB1_33 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 239 276 + CB_GB1_29 OH_GB1_33 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 239 286 + CB_GB1_29 C_GB1_33 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 239 287 CB_GB1_29 O_GB1_33 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 239 288 - CB_GB1_29 N_GB1_34 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 239 289 - CB_GB1_29 C_GB1_34 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 239 293 + CB_GB1_29 N_GB1_34 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 239 289 + CB_GB1_29 C_GB1_34 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 239 293 CB_GB1_29 O_GB1_34 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 239 294 - CB_GB1_29 N_GB1_35 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 239 295 - CB_GB1_29 CG_GB1_35 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 239 299 + CB_GB1_29 N_GB1_35 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 239 295 + CB_GB1_29 CG_GB1_35 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 239 299 CB_GB1_29 OD1_GB1_35 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 239 300 - CB_GB1_29 ND2_GB1_35 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 239 301 - CB_GB1_29 C_GB1_35 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 239 302 + CB_GB1_29 ND2_GB1_35 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 239 301 + CB_GB1_29 C_GB1_35 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 239 302 CB_GB1_29 O_GB1_35 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 239 303 - CB_GB1_29 N_GB1_36 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 239 304 - CB_GB1_29 CG_GB1_36 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 239 308 - CB_GB1_29 OD1_GB1_36 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 239 309 - CB_GB1_29 OD2_GB1_36 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 239 310 - CB_GB1_29 C_GB1_36 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 239 311 + CB_GB1_29 N_GB1_36 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 239 304 + CB_GB1_29 CG_GB1_36 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 239 308 + CB_GB1_29 OD1_GB1_36 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 239 309 + CB_GB1_29 OD2_GB1_36 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 239 310 + CB_GB1_29 C_GB1_36 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 239 311 CB_GB1_29 O_GB1_36 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 239 312 - CB_GB1_29 N_GB1_37 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 239 313 - CB_GB1_29 CG_GB1_37 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 239 317 + CB_GB1_29 N_GB1_37 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 239 313 + CB_GB1_29 CG_GB1_37 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 239 317 CB_GB1_29 OD1_GB1_37 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 239 318 - CB_GB1_29 ND2_GB1_37 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 239 319 - CB_GB1_29 C_GB1_37 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 239 320 + CB_GB1_29 ND2_GB1_37 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 239 319 + CB_GB1_29 C_GB1_37 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 239 320 CB_GB1_29 O_GB1_37 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 239 321 - CB_GB1_29 N_GB1_38 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 239 322 - CB_GB1_29 C_GB1_38 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 239 325 + CB_GB1_29 N_GB1_38 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 239 322 + CB_GB1_29 C_GB1_38 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 239 325 CB_GB1_29 O_GB1_38 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 239 326 - CB_GB1_29 N_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 239 327 - CB_GB1_29 C_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 239 333 + CB_GB1_29 N_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 239 327 + CB_GB1_29 C_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 239 333 CB_GB1_29 O_GB1_39 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 239 334 - CB_GB1_29 N_GB1_40 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 239 335 - CB_GB1_29 CG_GB1_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 239 339 - CB_GB1_29 OD1_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 239 340 - CB_GB1_29 OD2_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 239 341 - CB_GB1_29 C_GB1_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 239 342 + CB_GB1_29 N_GB1_40 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 239 335 + CB_GB1_29 CG_GB1_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 239 339 + CB_GB1_29 OD1_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 239 340 + CB_GB1_29 OD2_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 239 341 + CB_GB1_29 C_GB1_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 239 342 CB_GB1_29 O_GB1_40 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 239 343 - CB_GB1_29 N_GB1_41 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 239 344 - CB_GB1_29 C_GB1_41 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 239 347 + CB_GB1_29 N_GB1_41 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 239 344 + CB_GB1_29 C_GB1_41 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 239 347 CB_GB1_29 O_GB1_41 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 239 348 - CB_GB1_29 N_GB1_42 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 239 349 - CB_GB1_29 CD_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 239 354 - CB_GB1_29 OE1_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 239 355 - CB_GB1_29 OE2_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 239 356 - CB_GB1_29 C_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 239 357 + CB_GB1_29 N_GB1_42 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 239 349 + CB_GB1_29 CD_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 239 354 + CB_GB1_29 OE1_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 239 355 + CB_GB1_29 OE2_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 239 356 + CB_GB1_29 C_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 239 357 CB_GB1_29 O_GB1_42 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 239 358 - CB_GB1_29 N_GB1_43 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 239 359 - CB_GB1_29 NE1_GB1_43 1 0.000000e+00 9.937288e-06 ; 8.853117e-06 -9.937288e-06 1.0 1.0 1.0 1.0 False mg 7 239 366 - CB_GB1_29 C_GB1_43 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 239 372 + CB_GB1_29 N_GB1_43 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 239 359 + CB_GB1_29 NE1_GB1_43 1 0.000000e+00 9.937231e-06 ; 8.853066e-06 -9.937231e-06 1.0 1.0 1.0 1.0 False mg 7 239 366 + CB_GB1_29 C_GB1_43 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 239 372 CB_GB1_29 O_GB1_43 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 239 373 - CB_GB1_29 N_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 239 374 - CB_GB1_29 OG1_GB1_44 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 239 378 - CB_GB1_29 C_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 239 380 + CB_GB1_29 N_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 239 374 + CB_GB1_29 OG1_GB1_44 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 239 378 + CB_GB1_29 C_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 239 380 CB_GB1_29 O_GB1_44 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 239 381 - CB_GB1_29 N_GB1_45 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 239 382 - CB_GB1_29 OH_GB1_45 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 239 392 - CB_GB1_29 C_GB1_45 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 239 393 + CB_GB1_29 N_GB1_45 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 239 382 + CB_GB1_29 OH_GB1_45 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 239 392 + CB_GB1_29 C_GB1_45 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 239 393 CB_GB1_29 O_GB1_45 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 239 394 - CB_GB1_29 N_GB1_46 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 239 395 - CB_GB1_29 CG_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 239 399 - CB_GB1_29 OD1_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 239 400 - CB_GB1_29 OD2_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 239 401 - CB_GB1_29 C_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 239 402 + CB_GB1_29 N_GB1_46 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 239 395 + CB_GB1_29 CG_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 239 399 + CB_GB1_29 OD1_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 239 400 + CB_GB1_29 OD2_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 239 401 + CB_GB1_29 C_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 239 402 CB_GB1_29 O_GB1_46 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 239 403 - CB_GB1_29 N_GB1_47 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 239 404 - CB_GB1_29 CG_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 239 408 - CB_GB1_29 OD1_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 239 409 - CB_GB1_29 OD2_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 239 410 - CB_GB1_29 C_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 239 411 + CB_GB1_29 N_GB1_47 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 239 404 + CB_GB1_29 CG_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 239 408 + CB_GB1_29 OD1_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 239 409 + CB_GB1_29 OD2_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 239 410 + CB_GB1_29 C_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 239 411 CB_GB1_29 O_GB1_47 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 239 412 - CB_GB1_29 N_GB1_48 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 239 413 - CB_GB1_29 C_GB1_48 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 239 417 + CB_GB1_29 N_GB1_48 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 239 413 + CB_GB1_29 C_GB1_48 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 239 417 CB_GB1_29 O_GB1_48 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 239 418 - CB_GB1_29 N_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 239 419 - CB_GB1_29 OG1_GB1_49 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 239 423 - CB_GB1_29 C_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 239 425 + CB_GB1_29 N_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 239 419 + CB_GB1_29 OG1_GB1_49 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 239 423 + CB_GB1_29 C_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 239 425 CB_GB1_29 O_GB1_49 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 239 426 - CB_GB1_29 N_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 239 427 - CB_GB1_29 NZ_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 239 434 - CB_GB1_29 C_GB1_50 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 239 435 + CB_GB1_29 N_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 239 427 + CB_GB1_29 NZ_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 239 434 + CB_GB1_29 C_GB1_50 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 239 435 CB_GB1_29 O_GB1_50 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 239 436 - CB_GB1_29 N_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 239 437 - CB_GB1_29 OG1_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 239 441 - CB_GB1_29 C_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 239 443 + CB_GB1_29 N_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 239 437 + CB_GB1_29 OG1_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 239 441 + CB_GB1_29 C_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 239 443 CB_GB1_29 O_GB1_51 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 239 444 - CB_GB1_29 N_GB1_52 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 239 445 - CB_GB1_29 C_GB1_52 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 239 455 + CB_GB1_29 N_GB1_52 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 239 445 + CB_GB1_29 C_GB1_52 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 239 455 CB_GB1_29 O_GB1_52 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 239 456 - CB_GB1_29 N_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 239 457 - CB_GB1_29 OG1_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 239 461 - CB_GB1_29 C_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 239 463 + CB_GB1_29 N_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 239 457 + CB_GB1_29 OG1_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 239 461 + CB_GB1_29 C_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 239 463 CB_GB1_29 O_GB1_53 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 239 464 - CB_GB1_29 N_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 239 465 - CB_GB1_29 C_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 239 471 + CB_GB1_29 N_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 239 465 + CB_GB1_29 C_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 239 471 CB_GB1_29 O_GB1_54 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 239 472 - CB_GB1_29 N_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 239 473 - CB_GB1_29 OG1_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 239 477 - CB_GB1_29 C_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 239 479 + CB_GB1_29 N_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 239 473 + CB_GB1_29 OG1_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 239 477 + CB_GB1_29 C_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 239 479 CB_GB1_29 O_GB1_55 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 239 480 - CB_GB1_29 N_GB1_56 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 239 481 - CB_GB1_29 CD_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 239 486 - CB_GB1_29 OE1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 239 487 - CB_GB1_29 OE2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 239 488 - CB_GB1_29 C_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 239 489 - CB_GB1_29 O1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 239 490 - CB_GB1_29 O2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 239 491 -CG1_GB1_29 C_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 240 242 + CB_GB1_29 N_GB1_56 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 239 481 + CB_GB1_29 CD_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 239 486 + CB_GB1_29 OE1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 239 487 + CB_GB1_29 OE2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 239 488 + CB_GB1_29 C_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 239 489 + CB_GB1_29 O1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 239 490 + CB_GB1_29 O2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 239 491 +CG1_GB1_29 C_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 240 242 CG1_GB1_29 O_GB1_29 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 240 243 -CG1_GB1_29 N_GB1_30 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 240 244 -CG1_GB1_29 C_GB1_30 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 240 254 +CG1_GB1_29 N_GB1_30 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 240 244 +CG1_GB1_29 C_GB1_30 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 240 254 CG1_GB1_29 O_GB1_30 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 240 255 -CG1_GB1_29 N_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 240 256 -CG1_GB1_29 NZ_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 240 263 -CG1_GB1_29 C_GB1_31 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 240 264 +CG1_GB1_29 N_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 240 256 +CG1_GB1_29 NZ_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 240 263 +CG1_GB1_29 C_GB1_31 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 240 264 CG1_GB1_29 O_GB1_31 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 240 265 -CG1_GB1_29 N_GB1_32 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 240 266 -CG1_GB1_29 CD_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 240 271 +CG1_GB1_29 N_GB1_32 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 240 266 +CG1_GB1_29 CD_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 240 271 CG1_GB1_29 OE1_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 240 272 -CG1_GB1_29 NE2_GB1_32 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 240 273 -CG1_GB1_29 C_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 240 274 +CG1_GB1_29 NE2_GB1_32 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 240 273 +CG1_GB1_29 C_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 240 274 CG1_GB1_29 O_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 240 275 -CG1_GB1_29 N_GB1_33 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 240 276 -CG1_GB1_29 OH_GB1_33 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 240 286 -CG1_GB1_29 C_GB1_33 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 240 287 +CG1_GB1_29 N_GB1_33 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 240 276 +CG1_GB1_29 OH_GB1_33 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 240 286 +CG1_GB1_29 C_GB1_33 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 240 287 CG1_GB1_29 O_GB1_33 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 240 288 -CG1_GB1_29 N_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 240 289 -CG1_GB1_29 C_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 240 293 +CG1_GB1_29 N_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 240 289 +CG1_GB1_29 C_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 240 293 CG1_GB1_29 O_GB1_34 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 240 294 -CG1_GB1_29 N_GB1_35 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 240 295 -CG1_GB1_29 CG_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 240 299 +CG1_GB1_29 N_GB1_35 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 240 295 +CG1_GB1_29 CG_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 240 299 CG1_GB1_29 OD1_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 240 300 -CG1_GB1_29 ND2_GB1_35 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 240 301 -CG1_GB1_29 C_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 240 302 +CG1_GB1_29 ND2_GB1_35 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 240 301 +CG1_GB1_29 C_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 240 302 CG1_GB1_29 O_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 240 303 -CG1_GB1_29 N_GB1_36 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 240 304 -CG1_GB1_29 CG_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 240 308 +CG1_GB1_29 N_GB1_36 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 240 304 +CG1_GB1_29 CG_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 240 308 CG1_GB1_29 OD1_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 240 309 CG1_GB1_29 OD2_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 240 310 -CG1_GB1_29 C_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 240 311 +CG1_GB1_29 C_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 240 311 CG1_GB1_29 O_GB1_36 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 240 312 -CG1_GB1_29 N_GB1_37 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 240 313 -CG1_GB1_29 CG_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 240 317 +CG1_GB1_29 N_GB1_37 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 240 313 +CG1_GB1_29 CG_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 240 317 CG1_GB1_29 OD1_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 240 318 -CG1_GB1_29 ND2_GB1_37 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 240 319 -CG1_GB1_29 C_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 240 320 +CG1_GB1_29 ND2_GB1_37 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 240 319 +CG1_GB1_29 C_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 240 320 CG1_GB1_29 O_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 240 321 -CG1_GB1_29 N_GB1_38 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 240 322 -CG1_GB1_29 C_GB1_38 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 240 325 +CG1_GB1_29 N_GB1_38 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 240 322 +CG1_GB1_29 C_GB1_38 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 240 325 CG1_GB1_29 O_GB1_38 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 240 326 -CG1_GB1_29 N_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 240 327 -CG1_GB1_29 C_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 240 333 +CG1_GB1_29 N_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 240 327 +CG1_GB1_29 C_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 240 333 CG1_GB1_29 O_GB1_39 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 240 334 -CG1_GB1_29 N_GB1_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 240 335 -CG1_GB1_29 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 240 339 +CG1_GB1_29 N_GB1_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 240 335 +CG1_GB1_29 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 240 339 CG1_GB1_29 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 240 340 CG1_GB1_29 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 240 341 -CG1_GB1_29 C_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 240 342 +CG1_GB1_29 C_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 240 342 CG1_GB1_29 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 240 343 -CG1_GB1_29 N_GB1_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 240 344 -CG1_GB1_29 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 240 347 +CG1_GB1_29 N_GB1_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 240 344 +CG1_GB1_29 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 240 347 CG1_GB1_29 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 240 348 -CG1_GB1_29 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 240 349 -CG1_GB1_29 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 240 354 +CG1_GB1_29 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 240 349 +CG1_GB1_29 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 240 354 CG1_GB1_29 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 240 355 CG1_GB1_29 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 240 356 -CG1_GB1_29 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 240 357 +CG1_GB1_29 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 240 357 CG1_GB1_29 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 240 358 -CG1_GB1_29 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 240 359 -CG1_GB1_29 NE1_GB1_43 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.0 1.0 1.0 1.0 False mg 7 240 366 -CG1_GB1_29 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 240 372 +CG1_GB1_29 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 240 359 +CG1_GB1_29 NE1_GB1_43 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.0 1.0 1.0 1.0 False mg 7 240 366 +CG1_GB1_29 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 240 372 CG1_GB1_29 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 240 373 -CG1_GB1_29 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 240 374 -CG1_GB1_29 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 240 378 -CG1_GB1_29 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 240 380 +CG1_GB1_29 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 240 374 +CG1_GB1_29 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 240 378 +CG1_GB1_29 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 240 380 CG1_GB1_29 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 240 381 -CG1_GB1_29 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 240 382 -CG1_GB1_29 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 240 392 -CG1_GB1_29 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 240 393 +CG1_GB1_29 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 240 382 +CG1_GB1_29 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 240 392 +CG1_GB1_29 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 240 393 CG1_GB1_29 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 240 394 -CG1_GB1_29 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 240 395 -CG1_GB1_29 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 240 399 +CG1_GB1_29 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 240 395 +CG1_GB1_29 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 240 399 CG1_GB1_29 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 240 400 CG1_GB1_29 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 240 401 -CG1_GB1_29 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 240 402 +CG1_GB1_29 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 240 402 CG1_GB1_29 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 240 403 -CG1_GB1_29 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 240 404 -CG1_GB1_29 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 240 408 +CG1_GB1_29 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 240 404 +CG1_GB1_29 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 240 408 CG1_GB1_29 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 240 409 CG1_GB1_29 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 240 410 -CG1_GB1_29 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 240 411 +CG1_GB1_29 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 240 411 CG1_GB1_29 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 240 412 -CG1_GB1_29 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 240 413 -CG1_GB1_29 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 240 417 +CG1_GB1_29 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 240 413 +CG1_GB1_29 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 240 417 CG1_GB1_29 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 240 418 -CG1_GB1_29 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 240 419 -CG1_GB1_29 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 240 423 -CG1_GB1_29 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 240 425 +CG1_GB1_29 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 240 419 +CG1_GB1_29 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 240 423 +CG1_GB1_29 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 240 425 CG1_GB1_29 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 240 426 -CG1_GB1_29 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 240 427 -CG1_GB1_29 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 240 434 -CG1_GB1_29 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 240 435 +CG1_GB1_29 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 240 427 +CG1_GB1_29 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 240 434 +CG1_GB1_29 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 240 435 CG1_GB1_29 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 240 436 -CG1_GB1_29 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 240 437 -CG1_GB1_29 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 240 441 -CG1_GB1_29 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 240 443 +CG1_GB1_29 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 240 437 +CG1_GB1_29 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 240 441 +CG1_GB1_29 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 240 443 CG1_GB1_29 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 240 444 -CG1_GB1_29 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 240 445 -CG1_GB1_29 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 240 455 +CG1_GB1_29 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 240 445 +CG1_GB1_29 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 240 455 CG1_GB1_29 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 240 456 -CG1_GB1_29 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 240 457 -CG1_GB1_29 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 240 461 -CG1_GB1_29 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 240 463 +CG1_GB1_29 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 240 457 +CG1_GB1_29 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 240 461 +CG1_GB1_29 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 240 463 CG1_GB1_29 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 240 464 -CG1_GB1_29 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 240 465 -CG1_GB1_29 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 240 471 +CG1_GB1_29 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 240 465 +CG1_GB1_29 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 240 471 CG1_GB1_29 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 240 472 -CG1_GB1_29 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 240 473 -CG1_GB1_29 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 240 477 -CG1_GB1_29 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 240 479 +CG1_GB1_29 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 240 473 +CG1_GB1_29 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 240 477 +CG1_GB1_29 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 240 479 CG1_GB1_29 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 240 480 -CG1_GB1_29 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 240 481 -CG1_GB1_29 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 240 486 +CG1_GB1_29 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 240 481 +CG1_GB1_29 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 240 486 CG1_GB1_29 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 240 487 CG1_GB1_29 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 240 488 -CG1_GB1_29 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 240 489 +CG1_GB1_29 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 240 489 CG1_GB1_29 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 240 490 CG1_GB1_29 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 240 491 -CG2_GB1_29 C_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 241 242 +CG2_GB1_29 C_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 241 242 CG2_GB1_29 O_GB1_29 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 241 243 -CG2_GB1_29 N_GB1_30 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 241 244 -CG2_GB1_29 C_GB1_30 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 241 254 +CG2_GB1_29 N_GB1_30 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 241 244 +CG2_GB1_29 C_GB1_30 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 241 254 CG2_GB1_29 O_GB1_30 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 241 255 -CG2_GB1_29 N_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 241 256 -CG2_GB1_29 NZ_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 241 263 -CG2_GB1_29 C_GB1_31 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 241 264 +CG2_GB1_29 N_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 241 256 +CG2_GB1_29 NZ_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 241 263 +CG2_GB1_29 C_GB1_31 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 241 264 CG2_GB1_29 O_GB1_31 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 241 265 -CG2_GB1_29 N_GB1_32 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 241 266 -CG2_GB1_29 CD_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 241 271 +CG2_GB1_29 N_GB1_32 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 241 266 +CG2_GB1_29 CD_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 241 271 CG2_GB1_29 OE1_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 241 272 -CG2_GB1_29 NE2_GB1_32 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 241 273 -CG2_GB1_29 C_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 241 274 +CG2_GB1_29 NE2_GB1_32 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 241 273 +CG2_GB1_29 C_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 241 274 CG2_GB1_29 O_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 241 275 -CG2_GB1_29 N_GB1_33 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 241 276 -CG2_GB1_29 OH_GB1_33 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 241 286 -CG2_GB1_29 C_GB1_33 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 241 287 +CG2_GB1_29 N_GB1_33 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 241 276 +CG2_GB1_29 OH_GB1_33 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 241 286 +CG2_GB1_29 C_GB1_33 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 241 287 CG2_GB1_29 O_GB1_33 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 241 288 -CG2_GB1_29 N_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 241 289 -CG2_GB1_29 C_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 241 293 +CG2_GB1_29 N_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 241 289 +CG2_GB1_29 C_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 241 293 CG2_GB1_29 O_GB1_34 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 241 294 -CG2_GB1_29 N_GB1_35 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 241 295 -CG2_GB1_29 CG_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 241 299 +CG2_GB1_29 N_GB1_35 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 241 295 +CG2_GB1_29 CG_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 241 299 CG2_GB1_29 OD1_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 241 300 -CG2_GB1_29 ND2_GB1_35 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 241 301 -CG2_GB1_29 C_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 241 302 +CG2_GB1_29 ND2_GB1_35 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 241 301 +CG2_GB1_29 C_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 241 302 CG2_GB1_29 O_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 241 303 -CG2_GB1_29 N_GB1_36 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 241 304 -CG2_GB1_29 CG_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 241 308 +CG2_GB1_29 N_GB1_36 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 241 304 +CG2_GB1_29 CG_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 241 308 CG2_GB1_29 OD1_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 241 309 CG2_GB1_29 OD2_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 241 310 -CG2_GB1_29 C_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 241 311 +CG2_GB1_29 C_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 241 311 CG2_GB1_29 O_GB1_36 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 241 312 -CG2_GB1_29 N_GB1_37 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 241 313 -CG2_GB1_29 CG_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 241 317 +CG2_GB1_29 N_GB1_37 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 241 313 +CG2_GB1_29 CG_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 241 317 CG2_GB1_29 OD1_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 241 318 -CG2_GB1_29 ND2_GB1_37 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 241 319 -CG2_GB1_29 C_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 241 320 +CG2_GB1_29 ND2_GB1_37 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 241 319 +CG2_GB1_29 C_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 241 320 CG2_GB1_29 O_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 241 321 -CG2_GB1_29 N_GB1_38 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 241 322 -CG2_GB1_29 C_GB1_38 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 241 325 +CG2_GB1_29 N_GB1_38 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 241 322 +CG2_GB1_29 C_GB1_38 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 241 325 CG2_GB1_29 O_GB1_38 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 241 326 -CG2_GB1_29 N_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 241 327 -CG2_GB1_29 C_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 241 333 +CG2_GB1_29 N_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 241 327 +CG2_GB1_29 C_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 241 333 CG2_GB1_29 O_GB1_39 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 241 334 -CG2_GB1_29 N_GB1_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 241 335 -CG2_GB1_29 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 241 339 +CG2_GB1_29 N_GB1_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 241 335 +CG2_GB1_29 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 241 339 CG2_GB1_29 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 241 340 CG2_GB1_29 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 241 341 -CG2_GB1_29 C_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 241 342 +CG2_GB1_29 C_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 241 342 CG2_GB1_29 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 241 343 -CG2_GB1_29 N_GB1_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 241 344 -CG2_GB1_29 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 241 347 +CG2_GB1_29 N_GB1_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 241 344 +CG2_GB1_29 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 241 347 CG2_GB1_29 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 241 348 -CG2_GB1_29 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 241 349 -CG2_GB1_29 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 241 354 +CG2_GB1_29 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 241 349 +CG2_GB1_29 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 241 354 CG2_GB1_29 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 241 355 CG2_GB1_29 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 241 356 -CG2_GB1_29 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 241 357 +CG2_GB1_29 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 241 357 CG2_GB1_29 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 241 358 -CG2_GB1_29 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 241 359 -CG2_GB1_29 NE1_GB1_43 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.0 1.0 1.0 1.0 False mg 7 241 366 -CG2_GB1_29 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 241 372 +CG2_GB1_29 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 241 359 +CG2_GB1_29 NE1_GB1_43 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.0 1.0 1.0 1.0 False mg 7 241 366 +CG2_GB1_29 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 241 372 CG2_GB1_29 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 241 373 -CG2_GB1_29 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 241 374 -CG2_GB1_29 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 241 378 -CG2_GB1_29 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 241 380 +CG2_GB1_29 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 241 374 +CG2_GB1_29 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 241 378 +CG2_GB1_29 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 241 380 CG2_GB1_29 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 241 381 -CG2_GB1_29 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 241 382 -CG2_GB1_29 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 241 392 -CG2_GB1_29 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 241 393 +CG2_GB1_29 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 241 382 +CG2_GB1_29 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 241 392 +CG2_GB1_29 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 241 393 CG2_GB1_29 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 241 394 -CG2_GB1_29 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 241 395 -CG2_GB1_29 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 241 399 +CG2_GB1_29 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 241 395 +CG2_GB1_29 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 241 399 CG2_GB1_29 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 241 400 CG2_GB1_29 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 241 401 -CG2_GB1_29 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 241 402 +CG2_GB1_29 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 241 402 CG2_GB1_29 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 241 403 -CG2_GB1_29 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 241 404 -CG2_GB1_29 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 241 408 +CG2_GB1_29 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 241 404 +CG2_GB1_29 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 241 408 CG2_GB1_29 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 241 409 CG2_GB1_29 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 241 410 -CG2_GB1_29 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 241 411 +CG2_GB1_29 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 241 411 CG2_GB1_29 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 241 412 -CG2_GB1_29 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 241 413 -CG2_GB1_29 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 241 417 +CG2_GB1_29 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 241 413 +CG2_GB1_29 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 241 417 CG2_GB1_29 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 241 418 -CG2_GB1_29 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 241 419 -CG2_GB1_29 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 241 423 -CG2_GB1_29 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 241 425 +CG2_GB1_29 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 241 419 +CG2_GB1_29 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 241 423 +CG2_GB1_29 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 241 425 CG2_GB1_29 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 241 426 -CG2_GB1_29 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 241 427 -CG2_GB1_29 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 241 434 -CG2_GB1_29 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 241 435 +CG2_GB1_29 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 241 427 +CG2_GB1_29 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 241 434 +CG2_GB1_29 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 241 435 CG2_GB1_29 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 241 436 -CG2_GB1_29 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 241 437 -CG2_GB1_29 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 241 441 -CG2_GB1_29 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 241 443 +CG2_GB1_29 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 241 437 +CG2_GB1_29 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 241 441 +CG2_GB1_29 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 241 443 CG2_GB1_29 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 241 444 -CG2_GB1_29 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 241 445 -CG2_GB1_29 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 241 455 +CG2_GB1_29 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 241 445 +CG2_GB1_29 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 241 455 CG2_GB1_29 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 241 456 -CG2_GB1_29 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 241 457 -CG2_GB1_29 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 241 461 -CG2_GB1_29 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 241 463 +CG2_GB1_29 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 241 457 +CG2_GB1_29 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 241 461 +CG2_GB1_29 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 241 463 CG2_GB1_29 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 241 464 -CG2_GB1_29 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 241 465 -CG2_GB1_29 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 241 471 +CG2_GB1_29 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 241 465 +CG2_GB1_29 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 241 471 CG2_GB1_29 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 241 472 -CG2_GB1_29 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 241 473 -CG2_GB1_29 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 241 477 -CG2_GB1_29 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 241 479 +CG2_GB1_29 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 241 473 +CG2_GB1_29 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 241 477 +CG2_GB1_29 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 241 479 CG2_GB1_29 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 241 480 -CG2_GB1_29 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 241 481 -CG2_GB1_29 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 241 486 +CG2_GB1_29 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 241 481 +CG2_GB1_29 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 241 486 CG2_GB1_29 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 241 487 CG2_GB1_29 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 241 488 -CG2_GB1_29 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 241 489 +CG2_GB1_29 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 241 489 CG2_GB1_29 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 241 490 CG2_GB1_29 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 241 491 - C_GB1_29 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 242 247 - C_GB1_29 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 242 259 - C_GB1_29 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 242 260 - C_GB1_29 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 242 261 - C_GB1_29 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 242 262 - C_GB1_29 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 242 269 - C_GB1_29 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 242 270 - C_GB1_29 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 242 279 - C_GB1_29 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 242 292 - C_GB1_29 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 242 298 - C_GB1_29 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 242 307 - C_GB1_29 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 242 316 - C_GB1_29 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 242 324 - C_GB1_29 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 242 330 - C_GB1_29 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 242 331 - C_GB1_29 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 242 332 - C_GB1_29 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 242 338 - C_GB1_29 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 242 346 - C_GB1_29 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 242 352 - C_GB1_29 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 242 353 - C_GB1_29 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 242 362 - C_GB1_29 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 242 377 - C_GB1_29 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 242 379 - C_GB1_29 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 242 385 - C_GB1_29 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 242 398 - C_GB1_29 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 242 407 - C_GB1_29 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 242 416 - C_GB1_29 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 242 422 - C_GB1_29 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 242 424 - C_GB1_29 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 242 430 - C_GB1_29 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 242 431 - C_GB1_29 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 242 432 - C_GB1_29 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 242 433 - C_GB1_29 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 242 440 - C_GB1_29 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 242 442 - C_GB1_29 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 242 448 - C_GB1_29 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 242 460 - C_GB1_29 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 242 462 - C_GB1_29 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 242 468 - C_GB1_29 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 242 469 - C_GB1_29 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 242 470 - C_GB1_29 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 242 476 - C_GB1_29 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 242 478 - C_GB1_29 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 242 484 - C_GB1_29 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 242 485 + C_GB1_29 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 242 247 + C_GB1_29 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 242 259 + C_GB1_29 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 242 260 + C_GB1_29 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 242 261 + C_GB1_29 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 242 262 + C_GB1_29 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 242 269 + C_GB1_29 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 242 270 + C_GB1_29 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 242 279 + C_GB1_29 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 242 292 + C_GB1_29 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 242 298 + C_GB1_29 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 242 307 + C_GB1_29 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 242 316 + C_GB1_29 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 242 324 + C_GB1_29 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 242 330 + C_GB1_29 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 242 331 + C_GB1_29 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 242 332 + C_GB1_29 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 242 338 + C_GB1_29 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 242 346 + C_GB1_29 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 242 352 + C_GB1_29 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 242 353 + C_GB1_29 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 242 362 + C_GB1_29 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 242 377 + C_GB1_29 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 242 379 + C_GB1_29 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 242 385 + C_GB1_29 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 242 398 + C_GB1_29 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 242 407 + C_GB1_29 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 242 416 + C_GB1_29 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 242 422 + C_GB1_29 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 242 424 + C_GB1_29 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 242 430 + C_GB1_29 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 242 431 + C_GB1_29 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 242 432 + C_GB1_29 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 242 433 + C_GB1_29 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 242 440 + C_GB1_29 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 242 442 + C_GB1_29 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 242 448 + C_GB1_29 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 242 460 + C_GB1_29 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 242 462 + C_GB1_29 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 242 468 + C_GB1_29 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 242 469 + C_GB1_29 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 242 470 + C_GB1_29 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 242 476 + C_GB1_29 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 242 478 + C_GB1_29 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 242 484 + C_GB1_29 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 242 485 O_GB1_29 O_GB1_29 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 243 243 O_GB1_29 H_GB1_30 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 243 245 O_GB1_29 CB_GB1_30 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 243 247 @@ -28911,51 +28911,51 @@ CG2_GB1_29 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- O_GB1_29 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 243 488 O_GB1_29 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 243 490 O_GB1_29 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 243 491 - N_GB1_30 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 244 247 - N_GB1_30 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 244 259 - N_GB1_30 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 244 260 - N_GB1_30 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 244 261 - N_GB1_30 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 244 262 - N_GB1_30 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 244 269 - N_GB1_30 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 244 270 - N_GB1_30 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 244 279 - N_GB1_30 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 244 292 - N_GB1_30 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 244 298 - N_GB1_30 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 244 307 - N_GB1_30 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 244 316 - N_GB1_30 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 244 324 - N_GB1_30 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 244 330 - N_GB1_30 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 244 331 - N_GB1_30 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 244 332 - N_GB1_30 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 244 338 - N_GB1_30 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 244 346 - N_GB1_30 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 244 352 - N_GB1_30 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 244 353 - N_GB1_30 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 244 362 - N_GB1_30 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 244 377 - N_GB1_30 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 244 379 - N_GB1_30 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 244 385 - N_GB1_30 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 244 398 - N_GB1_30 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 244 407 - N_GB1_30 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 244 416 - N_GB1_30 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 244 422 - N_GB1_30 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 244 424 - N_GB1_30 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 244 430 - N_GB1_30 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 244 431 - N_GB1_30 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 244 432 - N_GB1_30 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 244 433 - N_GB1_30 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 244 440 - N_GB1_30 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 244 442 - N_GB1_30 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 244 448 - N_GB1_30 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 244 460 - N_GB1_30 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 244 462 - N_GB1_30 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 244 468 - N_GB1_30 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 244 469 - N_GB1_30 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 244 470 - N_GB1_30 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 244 476 - N_GB1_30 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 244 478 - N_GB1_30 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 244 484 - N_GB1_30 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 244 485 + N_GB1_30 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 244 247 + N_GB1_30 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 244 259 + N_GB1_30 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 244 260 + N_GB1_30 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 244 261 + N_GB1_30 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 244 262 + N_GB1_30 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 244 269 + N_GB1_30 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 244 270 + N_GB1_30 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 244 279 + N_GB1_30 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 244 292 + N_GB1_30 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 244 298 + N_GB1_30 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 244 307 + N_GB1_30 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 244 316 + N_GB1_30 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 244 324 + N_GB1_30 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 244 330 + N_GB1_30 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 244 331 + N_GB1_30 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 244 332 + N_GB1_30 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 244 338 + N_GB1_30 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 244 346 + N_GB1_30 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 244 352 + N_GB1_30 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 244 353 + N_GB1_30 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 244 362 + N_GB1_30 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 244 377 + N_GB1_30 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 244 379 + N_GB1_30 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 244 385 + N_GB1_30 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 244 398 + N_GB1_30 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 244 407 + N_GB1_30 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 244 416 + N_GB1_30 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 244 422 + N_GB1_30 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 244 424 + N_GB1_30 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 244 430 + N_GB1_30 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 244 431 + N_GB1_30 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 244 432 + N_GB1_30 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 244 433 + N_GB1_30 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 244 440 + N_GB1_30 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 244 442 + N_GB1_30 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 244 448 + N_GB1_30 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 244 460 + N_GB1_30 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 244 462 + N_GB1_30 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 244 468 + N_GB1_30 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 244 469 + N_GB1_30 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 244 470 + N_GB1_30 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 244 476 + N_GB1_30 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 244 478 + N_GB1_30 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 244 484 + N_GB1_30 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 244 485 H_GB1_30 H_GB1_30 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 245 245 H_GB1_30 O_GB1_30 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 245 255 H_GB1_30 H_GB1_31 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 245 257 @@ -29033,168 +29033,168 @@ CG2_GB1_29 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- H_GB1_30 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 245 488 H_GB1_30 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 245 490 H_GB1_30 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 245 491 - CB_GB1_30 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 247 254 + CB_GB1_30 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 247 254 CB_GB1_30 O_GB1_30 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 247 255 - CB_GB1_30 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 247 256 - CB_GB1_30 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 247 263 - CB_GB1_30 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 247 264 + CB_GB1_30 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 247 256 + CB_GB1_30 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 247 263 + CB_GB1_30 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 247 264 CB_GB1_30 O_GB1_31 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 247 265 - CB_GB1_30 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 247 266 - CB_GB1_30 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 247 271 + CB_GB1_30 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 247 266 + CB_GB1_30 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 247 271 CB_GB1_30 OE1_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 247 272 - CB_GB1_30 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 247 273 - CB_GB1_30 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 247 274 + CB_GB1_30 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 247 273 + CB_GB1_30 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 247 274 CB_GB1_30 O_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 247 275 - CB_GB1_30 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 247 276 - CB_GB1_30 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 247 286 - CB_GB1_30 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 247 287 + CB_GB1_30 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 247 276 + CB_GB1_30 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 247 286 + CB_GB1_30 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 247 287 CB_GB1_30 O_GB1_33 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 247 288 - CB_GB1_30 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 247 289 - CB_GB1_30 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 247 293 + CB_GB1_30 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 247 289 + CB_GB1_30 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 247 293 CB_GB1_30 O_GB1_34 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 247 294 - CB_GB1_30 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 247 295 - CB_GB1_30 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 247 299 + CB_GB1_30 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 247 295 + CB_GB1_30 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 247 299 CB_GB1_30 OD1_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 247 300 - CB_GB1_30 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 247 301 - CB_GB1_30 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 247 302 + CB_GB1_30 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 247 301 + CB_GB1_30 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 247 302 CB_GB1_30 O_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 247 303 - CB_GB1_30 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 247 304 - CB_GB1_30 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 247 308 - CB_GB1_30 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 247 309 - CB_GB1_30 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 247 310 - CB_GB1_30 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 247 311 + CB_GB1_30 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 247 304 + CB_GB1_30 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 247 308 + CB_GB1_30 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 247 309 + CB_GB1_30 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 247 310 + CB_GB1_30 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 247 311 CB_GB1_30 O_GB1_36 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 247 312 - CB_GB1_30 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 247 313 - CB_GB1_30 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 247 317 + CB_GB1_30 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 247 313 + CB_GB1_30 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 247 317 CB_GB1_30 OD1_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 247 318 - CB_GB1_30 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 247 319 - CB_GB1_30 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 247 320 + CB_GB1_30 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 247 319 + CB_GB1_30 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 247 320 CB_GB1_30 O_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 247 321 - CB_GB1_30 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 247 322 - CB_GB1_30 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 247 325 + CB_GB1_30 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 247 322 + CB_GB1_30 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 247 325 CB_GB1_30 O_GB1_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 247 326 - CB_GB1_30 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 247 327 - CB_GB1_30 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 247 333 + CB_GB1_30 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 247 327 + CB_GB1_30 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 247 333 CB_GB1_30 O_GB1_39 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 247 334 - CB_GB1_30 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 247 335 - CB_GB1_30 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 247 339 - CB_GB1_30 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 247 340 - CB_GB1_30 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 247 341 - CB_GB1_30 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 247 342 + CB_GB1_30 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 247 335 + CB_GB1_30 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 247 339 + CB_GB1_30 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 247 340 + CB_GB1_30 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 247 341 + CB_GB1_30 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 247 342 CB_GB1_30 O_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 247 343 - CB_GB1_30 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 247 344 - CB_GB1_30 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 247 347 + CB_GB1_30 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 247 344 + CB_GB1_30 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 247 347 CB_GB1_30 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 247 348 - CB_GB1_30 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 247 349 - CB_GB1_30 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 247 354 - CB_GB1_30 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 247 355 - CB_GB1_30 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 247 356 - CB_GB1_30 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 247 357 + CB_GB1_30 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 247 349 + CB_GB1_30 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 247 354 + CB_GB1_30 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 247 355 + CB_GB1_30 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 247 356 + CB_GB1_30 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 247 357 CB_GB1_30 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 247 358 - CB_GB1_30 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 247 359 - CB_GB1_30 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 247 366 - CB_GB1_30 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 247 372 + CB_GB1_30 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 247 359 + CB_GB1_30 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 247 366 + CB_GB1_30 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 247 372 CB_GB1_30 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 247 373 - CB_GB1_30 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 247 374 - CB_GB1_30 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 247 378 - CB_GB1_30 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 247 380 + CB_GB1_30 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 247 374 + CB_GB1_30 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 247 378 + CB_GB1_30 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 247 380 CB_GB1_30 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 247 381 - CB_GB1_30 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 247 382 - CB_GB1_30 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 247 392 - CB_GB1_30 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 247 393 + CB_GB1_30 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 247 382 + CB_GB1_30 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 247 392 + CB_GB1_30 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 247 393 CB_GB1_30 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 247 394 - CB_GB1_30 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 247 395 - CB_GB1_30 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 247 399 - CB_GB1_30 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 247 400 - CB_GB1_30 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 247 401 - CB_GB1_30 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 247 402 + CB_GB1_30 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 247 395 + CB_GB1_30 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 247 399 + CB_GB1_30 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 247 400 + CB_GB1_30 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 247 401 + CB_GB1_30 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 247 402 CB_GB1_30 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 247 403 - CB_GB1_30 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 247 404 - CB_GB1_30 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 247 408 - CB_GB1_30 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 247 409 - CB_GB1_30 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 247 410 - CB_GB1_30 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 247 411 + CB_GB1_30 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 247 404 + CB_GB1_30 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 247 408 + CB_GB1_30 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 247 409 + CB_GB1_30 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 247 410 + CB_GB1_30 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 247 411 CB_GB1_30 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 247 412 - CB_GB1_30 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 247 413 - CB_GB1_30 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 247 417 + CB_GB1_30 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 247 413 + CB_GB1_30 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 247 417 CB_GB1_30 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 247 418 - CB_GB1_30 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 247 419 - CB_GB1_30 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 247 423 - CB_GB1_30 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 247 425 + CB_GB1_30 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 247 419 + CB_GB1_30 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 247 423 + CB_GB1_30 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 247 425 CB_GB1_30 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 247 426 - CB_GB1_30 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 247 427 - CB_GB1_30 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 247 434 - CB_GB1_30 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 247 435 + CB_GB1_30 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 247 427 + CB_GB1_30 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 247 434 + CB_GB1_30 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 247 435 CB_GB1_30 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 247 436 - CB_GB1_30 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 247 437 - CB_GB1_30 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 247 441 - CB_GB1_30 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 247 443 + CB_GB1_30 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 247 437 + CB_GB1_30 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 247 441 + CB_GB1_30 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 247 443 CB_GB1_30 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 247 444 - CB_GB1_30 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 247 445 - CB_GB1_30 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 247 455 + CB_GB1_30 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 247 445 + CB_GB1_30 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 247 455 CB_GB1_30 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 247 456 - CB_GB1_30 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 247 457 - CB_GB1_30 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 247 461 - CB_GB1_30 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 247 463 + CB_GB1_30 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 247 457 + CB_GB1_30 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 247 461 + CB_GB1_30 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 247 463 CB_GB1_30 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 247 464 - CB_GB1_30 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 247 465 - CB_GB1_30 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 247 471 + CB_GB1_30 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 247 465 + CB_GB1_30 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 247 471 CB_GB1_30 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 247 472 - CB_GB1_30 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 247 473 - CB_GB1_30 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 247 477 - CB_GB1_30 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 247 479 + CB_GB1_30 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 247 473 + CB_GB1_30 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 247 477 + CB_GB1_30 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 247 479 CB_GB1_30 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 247 480 - CB_GB1_30 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 247 481 - CB_GB1_30 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 247 486 - CB_GB1_30 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 247 487 - CB_GB1_30 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 247 488 - CB_GB1_30 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 247 489 - CB_GB1_30 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 247 490 - CB_GB1_30 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 247 491 - C_GB1_30 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 254 259 - C_GB1_30 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 254 260 - C_GB1_30 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 254 261 - C_GB1_30 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 254 262 - C_GB1_30 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 254 269 - C_GB1_30 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 254 270 - C_GB1_30 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 254 279 - C_GB1_30 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 254 292 - C_GB1_30 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 254 298 - C_GB1_30 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 254 307 - C_GB1_30 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 254 316 - C_GB1_30 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 254 324 - C_GB1_30 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 254 330 - C_GB1_30 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 254 331 - C_GB1_30 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 254 332 - C_GB1_30 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 254 338 - C_GB1_30 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 254 346 - C_GB1_30 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 254 352 - C_GB1_30 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 254 353 - C_GB1_30 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 254 362 - C_GB1_30 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 254 377 - C_GB1_30 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 254 379 - C_GB1_30 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 254 385 - C_GB1_30 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 254 398 - C_GB1_30 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 254 407 - C_GB1_30 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 254 416 - C_GB1_30 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 254 422 - C_GB1_30 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 254 424 - C_GB1_30 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 254 430 - C_GB1_30 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 254 431 - C_GB1_30 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 254 432 - C_GB1_30 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 254 433 - C_GB1_30 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 254 440 - C_GB1_30 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 254 442 - C_GB1_30 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 254 448 - C_GB1_30 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 254 460 - C_GB1_30 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 254 462 - C_GB1_30 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 254 468 - C_GB1_30 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 254 469 - C_GB1_30 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 254 470 - C_GB1_30 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 254 476 - C_GB1_30 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 254 478 - C_GB1_30 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 254 484 - C_GB1_30 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 254 485 + CB_GB1_30 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 247 481 + CB_GB1_30 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 247 486 + CB_GB1_30 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 247 487 + CB_GB1_30 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 247 488 + CB_GB1_30 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 247 489 + CB_GB1_30 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 247 490 + CB_GB1_30 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 247 491 + C_GB1_30 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 254 259 + C_GB1_30 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 254 260 + C_GB1_30 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 254 261 + C_GB1_30 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 254 262 + C_GB1_30 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 254 269 + C_GB1_30 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 254 270 + C_GB1_30 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 254 279 + C_GB1_30 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 254 292 + C_GB1_30 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 254 298 + C_GB1_30 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 254 307 + C_GB1_30 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 254 316 + C_GB1_30 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 254 324 + C_GB1_30 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 254 330 + C_GB1_30 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 254 331 + C_GB1_30 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 254 332 + C_GB1_30 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 254 338 + C_GB1_30 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 254 346 + C_GB1_30 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 254 352 + C_GB1_30 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 254 353 + C_GB1_30 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 254 362 + C_GB1_30 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 254 377 + C_GB1_30 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 254 379 + C_GB1_30 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 254 385 + C_GB1_30 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 254 398 + C_GB1_30 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 254 407 + C_GB1_30 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 254 416 + C_GB1_30 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 254 422 + C_GB1_30 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 254 424 + C_GB1_30 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 254 430 + C_GB1_30 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 254 431 + C_GB1_30 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 254 432 + C_GB1_30 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 254 433 + C_GB1_30 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 254 440 + C_GB1_30 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 254 442 + C_GB1_30 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 254 448 + C_GB1_30 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 254 460 + C_GB1_30 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 254 462 + C_GB1_30 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 254 468 + C_GB1_30 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 254 469 + C_GB1_30 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 254 470 + C_GB1_30 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 254 476 + C_GB1_30 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 254 478 + C_GB1_30 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 254 484 + C_GB1_30 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 254 485 O_GB1_30 O_GB1_30 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 255 255 O_GB1_30 H_GB1_31 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 255 257 O_GB1_30 CB_GB1_31 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 255 259 @@ -29308,50 +29308,50 @@ CG2_GB1_29 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- O_GB1_30 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 255 488 O_GB1_30 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 255 490 O_GB1_30 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 255 491 - N_GB1_31 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 256 259 - N_GB1_31 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 256 260 - N_GB1_31 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 256 261 - N_GB1_31 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 256 262 - N_GB1_31 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 256 269 - N_GB1_31 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 256 270 - N_GB1_31 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 256 279 - N_GB1_31 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 256 292 - N_GB1_31 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 256 298 - N_GB1_31 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 256 307 - N_GB1_31 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 256 316 - N_GB1_31 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 256 324 - N_GB1_31 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 256 330 - N_GB1_31 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 256 331 - N_GB1_31 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 256 332 - N_GB1_31 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 256 338 - N_GB1_31 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 256 346 - N_GB1_31 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 256 352 - N_GB1_31 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 256 353 - N_GB1_31 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 256 362 - N_GB1_31 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 256 377 - N_GB1_31 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 256 379 - N_GB1_31 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 256 385 - N_GB1_31 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 256 398 - N_GB1_31 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 256 407 - N_GB1_31 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 256 416 - N_GB1_31 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 256 422 - N_GB1_31 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 256 424 - N_GB1_31 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 256 430 - N_GB1_31 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 256 431 - N_GB1_31 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 256 432 - N_GB1_31 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 256 433 - N_GB1_31 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 256 440 - N_GB1_31 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 256 442 - N_GB1_31 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 256 448 - N_GB1_31 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 256 460 - N_GB1_31 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 256 462 - N_GB1_31 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 256 468 - N_GB1_31 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 256 469 - N_GB1_31 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 256 470 - N_GB1_31 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 256 476 - N_GB1_31 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 256 478 - N_GB1_31 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 256 484 - N_GB1_31 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 256 485 + N_GB1_31 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 256 259 + N_GB1_31 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 256 260 + N_GB1_31 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 256 261 + N_GB1_31 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 256 262 + N_GB1_31 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 256 269 + N_GB1_31 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 256 270 + N_GB1_31 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 256 279 + N_GB1_31 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 256 292 + N_GB1_31 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 256 298 + N_GB1_31 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 256 307 + N_GB1_31 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 256 316 + N_GB1_31 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 256 324 + N_GB1_31 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 256 330 + N_GB1_31 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 256 331 + N_GB1_31 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 256 332 + N_GB1_31 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 256 338 + N_GB1_31 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 256 346 + N_GB1_31 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 256 352 + N_GB1_31 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 256 353 + N_GB1_31 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 256 362 + N_GB1_31 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 256 377 + N_GB1_31 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 256 379 + N_GB1_31 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 256 385 + N_GB1_31 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 256 398 + N_GB1_31 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 256 407 + N_GB1_31 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 256 416 + N_GB1_31 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 256 422 + N_GB1_31 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 256 424 + N_GB1_31 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 256 430 + N_GB1_31 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 256 431 + N_GB1_31 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 256 432 + N_GB1_31 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 256 433 + N_GB1_31 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 256 440 + N_GB1_31 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 256 442 + N_GB1_31 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 256 448 + N_GB1_31 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 256 460 + N_GB1_31 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 256 462 + N_GB1_31 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 256 468 + N_GB1_31 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 256 469 + N_GB1_31 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 256 470 + N_GB1_31 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 256 476 + N_GB1_31 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 256 478 + N_GB1_31 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 256 484 + N_GB1_31 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 256 485 H_GB1_31 H_GB1_31 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 257 257 H_GB1_31 O_GB1_31 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 257 265 H_GB1_31 H_GB1_32 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 257 267 @@ -29427,548 +29427,548 @@ CG2_GB1_29 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- H_GB1_31 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 257 488 H_GB1_31 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 257 490 H_GB1_31 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 257 491 - CB_GB1_31 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 259 263 - CB_GB1_31 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 259 264 + CB_GB1_31 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 259 263 + CB_GB1_31 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 259 264 CB_GB1_31 O_GB1_31 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 259 265 - CB_GB1_31 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 259 266 - CB_GB1_31 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 259 271 + CB_GB1_31 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 259 266 + CB_GB1_31 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 259 271 CB_GB1_31 OE1_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 259 272 - CB_GB1_31 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 259 273 - CB_GB1_31 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 259 274 + CB_GB1_31 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 259 273 + CB_GB1_31 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 259 274 CB_GB1_31 O_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 259 275 - CB_GB1_31 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 259 276 - CB_GB1_31 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 259 286 - CB_GB1_31 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 259 287 + CB_GB1_31 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 259 276 + CB_GB1_31 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 259 286 + CB_GB1_31 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 259 287 CB_GB1_31 O_GB1_33 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 259 288 - CB_GB1_31 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 259 289 - CB_GB1_31 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 259 293 + CB_GB1_31 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 259 289 + CB_GB1_31 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 259 293 CB_GB1_31 O_GB1_34 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 259 294 - CB_GB1_31 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 259 295 - CB_GB1_31 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 259 299 + CB_GB1_31 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 259 295 + CB_GB1_31 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 259 299 CB_GB1_31 OD1_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 259 300 - CB_GB1_31 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 259 301 - CB_GB1_31 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 259 302 + CB_GB1_31 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 259 301 + CB_GB1_31 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 259 302 CB_GB1_31 O_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 259 303 - CB_GB1_31 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 259 304 - CB_GB1_31 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 259 308 - CB_GB1_31 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 259 309 - CB_GB1_31 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 259 310 - CB_GB1_31 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 259 311 + CB_GB1_31 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 259 304 + CB_GB1_31 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 259 308 + CB_GB1_31 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 259 309 + CB_GB1_31 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 259 310 + CB_GB1_31 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 259 311 CB_GB1_31 O_GB1_36 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 259 312 - CB_GB1_31 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 259 313 - CB_GB1_31 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 259 317 + CB_GB1_31 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 259 313 + CB_GB1_31 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 259 317 CB_GB1_31 OD1_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 259 318 - CB_GB1_31 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 259 319 - CB_GB1_31 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 259 320 + CB_GB1_31 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 259 319 + CB_GB1_31 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 259 320 CB_GB1_31 O_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 259 321 - CB_GB1_31 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 259 322 - CB_GB1_31 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 259 325 + CB_GB1_31 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 259 322 + CB_GB1_31 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 259 325 CB_GB1_31 O_GB1_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 259 326 - CB_GB1_31 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 259 327 - CB_GB1_31 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 259 333 + CB_GB1_31 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 259 327 + CB_GB1_31 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 259 333 CB_GB1_31 O_GB1_39 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 259 334 - CB_GB1_31 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 259 335 - CB_GB1_31 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 259 339 - CB_GB1_31 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 259 340 - CB_GB1_31 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 259 341 - CB_GB1_31 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 259 342 + CB_GB1_31 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 259 335 + CB_GB1_31 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 259 339 + CB_GB1_31 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 259 340 + CB_GB1_31 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 259 341 + CB_GB1_31 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 259 342 CB_GB1_31 O_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 259 343 - CB_GB1_31 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 259 344 - CB_GB1_31 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 259 347 + CB_GB1_31 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 259 344 + CB_GB1_31 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 259 347 CB_GB1_31 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 259 348 - CB_GB1_31 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 259 349 - CB_GB1_31 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 259 354 - CB_GB1_31 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 259 355 - CB_GB1_31 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 259 356 - CB_GB1_31 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 259 357 + CB_GB1_31 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 259 349 + CB_GB1_31 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 259 354 + CB_GB1_31 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 259 355 + CB_GB1_31 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 259 356 + CB_GB1_31 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 259 357 CB_GB1_31 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 259 358 - CB_GB1_31 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 259 359 - CB_GB1_31 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 259 366 - CB_GB1_31 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 259 372 + CB_GB1_31 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 259 359 + CB_GB1_31 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 259 366 + CB_GB1_31 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 259 372 CB_GB1_31 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 259 373 - CB_GB1_31 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 259 374 - CB_GB1_31 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 259 378 - CB_GB1_31 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 259 380 + CB_GB1_31 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 259 374 + CB_GB1_31 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 259 378 + CB_GB1_31 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 259 380 CB_GB1_31 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 259 381 - CB_GB1_31 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 259 382 - CB_GB1_31 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 259 392 - CB_GB1_31 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 259 393 + CB_GB1_31 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 259 382 + CB_GB1_31 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 259 392 + CB_GB1_31 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 259 393 CB_GB1_31 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 259 394 - CB_GB1_31 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 259 395 - CB_GB1_31 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 259 399 - CB_GB1_31 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 259 400 - CB_GB1_31 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 259 401 - CB_GB1_31 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 259 402 + CB_GB1_31 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 259 395 + CB_GB1_31 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 259 399 + CB_GB1_31 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 259 400 + CB_GB1_31 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 259 401 + CB_GB1_31 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 259 402 CB_GB1_31 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 259 403 - CB_GB1_31 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 259 404 - CB_GB1_31 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 259 408 - CB_GB1_31 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 259 409 - CB_GB1_31 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 259 410 - CB_GB1_31 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 259 411 + CB_GB1_31 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 259 404 + CB_GB1_31 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 259 408 + CB_GB1_31 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 259 409 + CB_GB1_31 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 259 410 + CB_GB1_31 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 259 411 CB_GB1_31 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 259 412 - CB_GB1_31 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 259 413 - CB_GB1_31 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 259 417 + CB_GB1_31 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 259 413 + CB_GB1_31 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 259 417 CB_GB1_31 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 259 418 - CB_GB1_31 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 259 419 - CB_GB1_31 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 259 423 - CB_GB1_31 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 259 425 + CB_GB1_31 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 259 419 + CB_GB1_31 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 259 423 + CB_GB1_31 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 259 425 CB_GB1_31 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 259 426 - CB_GB1_31 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 259 427 - CB_GB1_31 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 259 434 - CB_GB1_31 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 259 435 + CB_GB1_31 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 259 427 + CB_GB1_31 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 259 434 + CB_GB1_31 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 259 435 CB_GB1_31 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 259 436 - CB_GB1_31 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 259 437 - CB_GB1_31 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 259 441 - CB_GB1_31 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 259 443 + CB_GB1_31 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 259 437 + CB_GB1_31 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 259 441 + CB_GB1_31 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 259 443 CB_GB1_31 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 259 444 - CB_GB1_31 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 259 445 - CB_GB1_31 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 259 455 + CB_GB1_31 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 259 445 + CB_GB1_31 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 259 455 CB_GB1_31 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 259 456 - CB_GB1_31 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 259 457 - CB_GB1_31 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 259 461 - CB_GB1_31 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 259 463 + CB_GB1_31 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 259 457 + CB_GB1_31 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 259 461 + CB_GB1_31 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 259 463 CB_GB1_31 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 259 464 - CB_GB1_31 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 259 465 - CB_GB1_31 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 259 471 + CB_GB1_31 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 259 465 + CB_GB1_31 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 259 471 CB_GB1_31 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 259 472 - CB_GB1_31 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 259 473 - CB_GB1_31 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 259 477 - CB_GB1_31 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 259 479 + CB_GB1_31 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 259 473 + CB_GB1_31 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 259 477 + CB_GB1_31 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 259 479 CB_GB1_31 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 259 480 - CB_GB1_31 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 259 481 - CB_GB1_31 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 259 486 - CB_GB1_31 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 259 487 - CB_GB1_31 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 259 488 - CB_GB1_31 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 259 489 - CB_GB1_31 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 259 490 - CB_GB1_31 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 259 491 - CG_GB1_31 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 260 263 - CG_GB1_31 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 260 264 + CB_GB1_31 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 259 481 + CB_GB1_31 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 259 486 + CB_GB1_31 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 259 487 + CB_GB1_31 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 259 488 + CB_GB1_31 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 259 489 + CB_GB1_31 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 259 490 + CB_GB1_31 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 259 491 + CG_GB1_31 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 260 263 + CG_GB1_31 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 260 264 CG_GB1_31 O_GB1_31 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 260 265 - CG_GB1_31 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 260 266 - CG_GB1_31 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 260 271 + CG_GB1_31 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 260 266 + CG_GB1_31 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 260 271 CG_GB1_31 OE1_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 260 272 - CG_GB1_31 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 260 273 - CG_GB1_31 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 260 274 + CG_GB1_31 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 260 273 + CG_GB1_31 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 260 274 CG_GB1_31 O_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 260 275 - CG_GB1_31 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 260 276 - CG_GB1_31 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 260 286 - CG_GB1_31 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 260 287 + CG_GB1_31 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 260 276 + CG_GB1_31 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 260 286 + CG_GB1_31 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 260 287 CG_GB1_31 O_GB1_33 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 260 288 - CG_GB1_31 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 260 289 - CG_GB1_31 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 260 293 + CG_GB1_31 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 260 289 + CG_GB1_31 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 260 293 CG_GB1_31 O_GB1_34 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 260 294 - CG_GB1_31 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 260 295 - CG_GB1_31 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 260 299 + CG_GB1_31 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 260 295 + CG_GB1_31 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 260 299 CG_GB1_31 OD1_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 260 300 - CG_GB1_31 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 260 301 - CG_GB1_31 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 260 302 + CG_GB1_31 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 260 301 + CG_GB1_31 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 260 302 CG_GB1_31 O_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 260 303 - CG_GB1_31 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 260 304 - CG_GB1_31 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 260 308 - CG_GB1_31 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 260 309 - CG_GB1_31 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 260 310 - CG_GB1_31 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 260 311 + CG_GB1_31 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 260 304 + CG_GB1_31 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 260 308 + CG_GB1_31 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 260 309 + CG_GB1_31 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 260 310 + CG_GB1_31 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 260 311 CG_GB1_31 O_GB1_36 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 260 312 - CG_GB1_31 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 260 313 - CG_GB1_31 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 260 317 + CG_GB1_31 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 260 313 + CG_GB1_31 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 260 317 CG_GB1_31 OD1_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 260 318 - CG_GB1_31 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 260 319 - CG_GB1_31 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 260 320 + CG_GB1_31 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 260 319 + CG_GB1_31 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 260 320 CG_GB1_31 O_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 260 321 - CG_GB1_31 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 260 322 - CG_GB1_31 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 260 325 + CG_GB1_31 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 260 322 + CG_GB1_31 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 260 325 CG_GB1_31 O_GB1_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 260 326 - CG_GB1_31 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 260 327 - CG_GB1_31 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 260 333 + CG_GB1_31 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 260 327 + CG_GB1_31 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 260 333 CG_GB1_31 O_GB1_39 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 260 334 - CG_GB1_31 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 260 335 - CG_GB1_31 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 260 339 - CG_GB1_31 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 260 340 - CG_GB1_31 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 260 341 - CG_GB1_31 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 260 342 + CG_GB1_31 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 260 335 + CG_GB1_31 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 260 339 + CG_GB1_31 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 260 340 + CG_GB1_31 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 260 341 + CG_GB1_31 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 260 342 CG_GB1_31 O_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 260 343 - CG_GB1_31 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 260 344 - CG_GB1_31 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 260 347 + CG_GB1_31 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 260 344 + CG_GB1_31 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 260 347 CG_GB1_31 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 260 348 - CG_GB1_31 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 260 349 - CG_GB1_31 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 260 354 - CG_GB1_31 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 260 355 - CG_GB1_31 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 260 356 - CG_GB1_31 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 260 357 + CG_GB1_31 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 260 349 + CG_GB1_31 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 260 354 + CG_GB1_31 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 260 355 + CG_GB1_31 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 260 356 + CG_GB1_31 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 260 357 CG_GB1_31 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 260 358 - CG_GB1_31 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 260 359 - CG_GB1_31 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 260 366 - CG_GB1_31 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 260 372 + CG_GB1_31 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 260 359 + CG_GB1_31 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 260 366 + CG_GB1_31 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 260 372 CG_GB1_31 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 260 373 - CG_GB1_31 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 260 374 - CG_GB1_31 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 260 378 - CG_GB1_31 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 260 380 + CG_GB1_31 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 260 374 + CG_GB1_31 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 260 378 + CG_GB1_31 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 260 380 CG_GB1_31 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 260 381 - CG_GB1_31 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 260 382 - CG_GB1_31 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 260 392 - CG_GB1_31 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 260 393 + CG_GB1_31 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 260 382 + CG_GB1_31 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 260 392 + CG_GB1_31 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 260 393 CG_GB1_31 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 260 394 - CG_GB1_31 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 260 395 - CG_GB1_31 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 260 399 - CG_GB1_31 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 260 400 - CG_GB1_31 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 260 401 - CG_GB1_31 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 260 402 + CG_GB1_31 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 260 395 + CG_GB1_31 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 260 399 + CG_GB1_31 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 260 400 + CG_GB1_31 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 260 401 + CG_GB1_31 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 260 402 CG_GB1_31 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 260 403 - CG_GB1_31 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 260 404 - CG_GB1_31 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 260 408 - CG_GB1_31 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 260 409 - CG_GB1_31 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 260 410 - CG_GB1_31 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 260 411 + CG_GB1_31 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 260 404 + CG_GB1_31 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 260 408 + CG_GB1_31 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 260 409 + CG_GB1_31 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 260 410 + CG_GB1_31 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 260 411 CG_GB1_31 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 260 412 - CG_GB1_31 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 260 413 - CG_GB1_31 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 260 417 + CG_GB1_31 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 260 413 + CG_GB1_31 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 260 417 CG_GB1_31 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 260 418 - CG_GB1_31 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 260 419 - CG_GB1_31 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 260 423 - CG_GB1_31 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 260 425 + CG_GB1_31 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 260 419 + CG_GB1_31 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 260 423 + CG_GB1_31 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 260 425 CG_GB1_31 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 260 426 - CG_GB1_31 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 260 427 - CG_GB1_31 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 260 434 - CG_GB1_31 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 260 435 + CG_GB1_31 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 260 427 + CG_GB1_31 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 260 434 + CG_GB1_31 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 260 435 CG_GB1_31 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 260 436 - CG_GB1_31 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 260 437 - CG_GB1_31 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 260 441 - CG_GB1_31 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 260 443 + CG_GB1_31 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 260 437 + CG_GB1_31 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 260 441 + CG_GB1_31 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 260 443 CG_GB1_31 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 260 444 - CG_GB1_31 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 260 445 - CG_GB1_31 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 260 455 + CG_GB1_31 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 260 445 + CG_GB1_31 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 260 455 CG_GB1_31 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 260 456 - CG_GB1_31 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 260 457 - CG_GB1_31 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 260 461 - CG_GB1_31 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 260 463 + CG_GB1_31 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 260 457 + CG_GB1_31 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 260 461 + CG_GB1_31 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 260 463 CG_GB1_31 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 260 464 - CG_GB1_31 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 260 465 - CG_GB1_31 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 260 471 + CG_GB1_31 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 260 465 + CG_GB1_31 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 260 471 CG_GB1_31 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 260 472 - CG_GB1_31 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 260 473 - CG_GB1_31 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 260 477 - CG_GB1_31 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 260 479 + CG_GB1_31 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 260 473 + CG_GB1_31 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 260 477 + CG_GB1_31 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 260 479 CG_GB1_31 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 260 480 - CG_GB1_31 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 260 481 - CG_GB1_31 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 260 486 - CG_GB1_31 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 260 487 - CG_GB1_31 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 260 488 - CG_GB1_31 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 260 489 - CG_GB1_31 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 260 490 - CG_GB1_31 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 260 491 - CD_GB1_31 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 261 263 - CD_GB1_31 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 261 264 + CG_GB1_31 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 260 481 + CG_GB1_31 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 260 486 + CG_GB1_31 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 260 487 + CG_GB1_31 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 260 488 + CG_GB1_31 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 260 489 + CG_GB1_31 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 260 490 + CG_GB1_31 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 260 491 + CD_GB1_31 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 261 263 + CD_GB1_31 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 261 264 CD_GB1_31 O_GB1_31 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 261 265 - CD_GB1_31 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 261 266 - CD_GB1_31 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 261 271 + CD_GB1_31 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 261 266 + CD_GB1_31 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 261 271 CD_GB1_31 OE1_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 261 272 - CD_GB1_31 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 261 273 - CD_GB1_31 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 261 274 + CD_GB1_31 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 261 273 + CD_GB1_31 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 261 274 CD_GB1_31 O_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 261 275 - CD_GB1_31 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 261 276 - CD_GB1_31 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 261 286 - CD_GB1_31 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 261 287 + CD_GB1_31 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 261 276 + CD_GB1_31 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 261 286 + CD_GB1_31 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 261 287 CD_GB1_31 O_GB1_33 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 261 288 - CD_GB1_31 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 261 289 - CD_GB1_31 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 261 293 + CD_GB1_31 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 261 289 + CD_GB1_31 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 261 293 CD_GB1_31 O_GB1_34 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 261 294 - CD_GB1_31 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 261 295 - CD_GB1_31 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 261 299 + CD_GB1_31 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 261 295 + CD_GB1_31 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 261 299 CD_GB1_31 OD1_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 261 300 - CD_GB1_31 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 261 301 - CD_GB1_31 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 261 302 + CD_GB1_31 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 261 301 + CD_GB1_31 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 261 302 CD_GB1_31 O_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 261 303 - CD_GB1_31 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 261 304 - CD_GB1_31 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 261 308 - CD_GB1_31 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 261 309 - CD_GB1_31 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 261 310 - CD_GB1_31 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 261 311 + CD_GB1_31 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 261 304 + CD_GB1_31 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 261 308 + CD_GB1_31 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 261 309 + CD_GB1_31 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 261 310 + CD_GB1_31 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 261 311 CD_GB1_31 O_GB1_36 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 261 312 - CD_GB1_31 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 261 313 - CD_GB1_31 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 261 317 + CD_GB1_31 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 261 313 + CD_GB1_31 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 261 317 CD_GB1_31 OD1_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 261 318 - CD_GB1_31 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 261 319 - CD_GB1_31 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 261 320 + CD_GB1_31 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 261 319 + CD_GB1_31 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 261 320 CD_GB1_31 O_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 261 321 - CD_GB1_31 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 261 322 - CD_GB1_31 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 261 325 + CD_GB1_31 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 261 322 + CD_GB1_31 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 261 325 CD_GB1_31 O_GB1_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 261 326 - CD_GB1_31 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 261 327 - CD_GB1_31 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 261 333 + CD_GB1_31 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 261 327 + CD_GB1_31 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 261 333 CD_GB1_31 O_GB1_39 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 261 334 - CD_GB1_31 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 261 335 - CD_GB1_31 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 261 339 - CD_GB1_31 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 261 340 - CD_GB1_31 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 261 341 - CD_GB1_31 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 261 342 + CD_GB1_31 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 261 335 + CD_GB1_31 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 261 339 + CD_GB1_31 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 261 340 + CD_GB1_31 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 261 341 + CD_GB1_31 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 261 342 CD_GB1_31 O_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 261 343 - CD_GB1_31 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 261 344 - CD_GB1_31 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 261 347 + CD_GB1_31 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 261 344 + CD_GB1_31 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 261 347 CD_GB1_31 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 261 348 - CD_GB1_31 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 261 349 - CD_GB1_31 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 261 354 - CD_GB1_31 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 261 355 - CD_GB1_31 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 261 356 - CD_GB1_31 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 261 357 + CD_GB1_31 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 261 349 + CD_GB1_31 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 261 354 + CD_GB1_31 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 261 355 + CD_GB1_31 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 261 356 + CD_GB1_31 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 261 357 CD_GB1_31 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 261 358 - CD_GB1_31 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 261 359 - CD_GB1_31 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 261 366 - CD_GB1_31 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 261 372 + CD_GB1_31 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 261 359 + CD_GB1_31 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 261 366 + CD_GB1_31 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 261 372 CD_GB1_31 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 261 373 - CD_GB1_31 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 261 374 - CD_GB1_31 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 261 378 - CD_GB1_31 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 261 380 + CD_GB1_31 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 261 374 + CD_GB1_31 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 261 378 + CD_GB1_31 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 261 380 CD_GB1_31 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 261 381 - CD_GB1_31 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 261 382 - CD_GB1_31 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 261 392 - CD_GB1_31 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 261 393 + CD_GB1_31 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 261 382 + CD_GB1_31 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 261 392 + CD_GB1_31 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 261 393 CD_GB1_31 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 261 394 - CD_GB1_31 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 261 395 - CD_GB1_31 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 261 399 - CD_GB1_31 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 261 400 - CD_GB1_31 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 261 401 - CD_GB1_31 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 261 402 + CD_GB1_31 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 261 395 + CD_GB1_31 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 261 399 + CD_GB1_31 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 261 400 + CD_GB1_31 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 261 401 + CD_GB1_31 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 261 402 CD_GB1_31 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 261 403 - CD_GB1_31 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 261 404 - CD_GB1_31 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 261 408 - CD_GB1_31 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 261 409 - CD_GB1_31 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 261 410 - CD_GB1_31 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 261 411 + CD_GB1_31 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 261 404 + CD_GB1_31 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 261 408 + CD_GB1_31 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 261 409 + CD_GB1_31 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 261 410 + CD_GB1_31 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 261 411 CD_GB1_31 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 261 412 - CD_GB1_31 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 261 413 - CD_GB1_31 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 261 417 + CD_GB1_31 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 261 413 + CD_GB1_31 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 261 417 CD_GB1_31 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 261 418 - CD_GB1_31 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 261 419 - CD_GB1_31 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 261 423 - CD_GB1_31 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 261 425 + CD_GB1_31 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 261 419 + CD_GB1_31 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 261 423 + CD_GB1_31 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 261 425 CD_GB1_31 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 261 426 - CD_GB1_31 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 261 427 - CD_GB1_31 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 261 434 - CD_GB1_31 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 261 435 + CD_GB1_31 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 261 427 + CD_GB1_31 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 261 434 + CD_GB1_31 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 261 435 CD_GB1_31 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 261 436 - CD_GB1_31 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 261 437 - CD_GB1_31 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 261 441 - CD_GB1_31 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 261 443 + CD_GB1_31 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 261 437 + CD_GB1_31 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 261 441 + CD_GB1_31 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 261 443 CD_GB1_31 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 261 444 - CD_GB1_31 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 261 445 - CD_GB1_31 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 261 455 + CD_GB1_31 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 261 445 + CD_GB1_31 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 261 455 CD_GB1_31 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 261 456 - CD_GB1_31 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 261 457 - CD_GB1_31 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 261 461 - CD_GB1_31 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 261 463 + CD_GB1_31 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 261 457 + CD_GB1_31 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 261 461 + CD_GB1_31 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 261 463 CD_GB1_31 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 261 464 - CD_GB1_31 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 261 465 - CD_GB1_31 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 261 471 + CD_GB1_31 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 261 465 + CD_GB1_31 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 261 471 CD_GB1_31 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 261 472 - CD_GB1_31 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 261 473 - CD_GB1_31 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 261 477 - CD_GB1_31 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 261 479 + CD_GB1_31 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 261 473 + CD_GB1_31 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 261 477 + CD_GB1_31 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 261 479 CD_GB1_31 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 261 480 - CD_GB1_31 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 261 481 - CD_GB1_31 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 261 486 - CD_GB1_31 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 261 487 - CD_GB1_31 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 261 488 - CD_GB1_31 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 261 489 - CD_GB1_31 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 261 490 - CD_GB1_31 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 261 491 - CE_GB1_31 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 262 263 - CE_GB1_31 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 262 264 + CD_GB1_31 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 261 481 + CD_GB1_31 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 261 486 + CD_GB1_31 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 261 487 + CD_GB1_31 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 261 488 + CD_GB1_31 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 261 489 + CD_GB1_31 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 261 490 + CD_GB1_31 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 261 491 + CE_GB1_31 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 262 263 + CE_GB1_31 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 262 264 CE_GB1_31 O_GB1_31 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 262 265 - CE_GB1_31 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 262 266 - CE_GB1_31 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 262 271 + CE_GB1_31 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 262 266 + CE_GB1_31 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 262 271 CE_GB1_31 OE1_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 262 272 - CE_GB1_31 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 262 273 - CE_GB1_31 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 262 274 + CE_GB1_31 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 262 273 + CE_GB1_31 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 262 274 CE_GB1_31 O_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 262 275 - CE_GB1_31 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 262 276 - CE_GB1_31 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 262 286 - CE_GB1_31 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 262 287 + CE_GB1_31 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 262 276 + CE_GB1_31 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 262 286 + CE_GB1_31 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 262 287 CE_GB1_31 O_GB1_33 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 262 288 - CE_GB1_31 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 262 289 - CE_GB1_31 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 262 293 + CE_GB1_31 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 262 289 + CE_GB1_31 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 262 293 CE_GB1_31 O_GB1_34 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 262 294 - CE_GB1_31 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 262 295 - CE_GB1_31 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 262 299 + CE_GB1_31 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 262 295 + CE_GB1_31 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 262 299 CE_GB1_31 OD1_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 262 300 - CE_GB1_31 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 262 301 - CE_GB1_31 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 262 302 + CE_GB1_31 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 262 301 + CE_GB1_31 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 262 302 CE_GB1_31 O_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 262 303 - CE_GB1_31 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 262 304 - CE_GB1_31 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 262 308 - CE_GB1_31 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 262 309 - CE_GB1_31 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 262 310 - CE_GB1_31 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 262 311 + CE_GB1_31 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 262 304 + CE_GB1_31 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 262 308 + CE_GB1_31 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 262 309 + CE_GB1_31 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 262 310 + CE_GB1_31 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 262 311 CE_GB1_31 O_GB1_36 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 262 312 - CE_GB1_31 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 262 313 - CE_GB1_31 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 262 317 + CE_GB1_31 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 262 313 + CE_GB1_31 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 262 317 CE_GB1_31 OD1_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 262 318 - CE_GB1_31 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 262 319 - CE_GB1_31 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 262 320 + CE_GB1_31 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 262 319 + CE_GB1_31 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 262 320 CE_GB1_31 O_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 262 321 - CE_GB1_31 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 262 322 - CE_GB1_31 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 262 325 + CE_GB1_31 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 262 322 + CE_GB1_31 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 262 325 CE_GB1_31 O_GB1_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 262 326 - CE_GB1_31 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 262 327 - CE_GB1_31 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 262 333 + CE_GB1_31 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 262 327 + CE_GB1_31 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 262 333 CE_GB1_31 O_GB1_39 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 262 334 - CE_GB1_31 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 262 335 - CE_GB1_31 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 262 339 - CE_GB1_31 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 262 340 - CE_GB1_31 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 262 341 - CE_GB1_31 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 262 342 + CE_GB1_31 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 262 335 + CE_GB1_31 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 262 339 + CE_GB1_31 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 262 340 + CE_GB1_31 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 262 341 + CE_GB1_31 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 262 342 CE_GB1_31 O_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 262 343 - CE_GB1_31 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 262 344 - CE_GB1_31 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 262 347 + CE_GB1_31 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 262 344 + CE_GB1_31 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 262 347 CE_GB1_31 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 262 348 - CE_GB1_31 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 262 349 - CE_GB1_31 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 262 354 - CE_GB1_31 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 262 355 - CE_GB1_31 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 262 356 - CE_GB1_31 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 262 357 + CE_GB1_31 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 262 349 + CE_GB1_31 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 262 354 + CE_GB1_31 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 262 355 + CE_GB1_31 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 262 356 + CE_GB1_31 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 262 357 CE_GB1_31 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 262 358 - CE_GB1_31 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 262 359 - CE_GB1_31 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 262 366 - CE_GB1_31 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 262 372 + CE_GB1_31 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 262 359 + CE_GB1_31 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 262 366 + CE_GB1_31 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 262 372 CE_GB1_31 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 262 373 - CE_GB1_31 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 262 374 - CE_GB1_31 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 262 378 - CE_GB1_31 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 262 380 + CE_GB1_31 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 262 374 + CE_GB1_31 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 262 378 + CE_GB1_31 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 262 380 CE_GB1_31 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 262 381 - CE_GB1_31 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 262 382 - CE_GB1_31 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 262 392 - CE_GB1_31 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 262 393 + CE_GB1_31 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 262 382 + CE_GB1_31 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 262 392 + CE_GB1_31 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 262 393 CE_GB1_31 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 262 394 - CE_GB1_31 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 262 395 - CE_GB1_31 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 262 399 - CE_GB1_31 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 262 400 - CE_GB1_31 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 262 401 - CE_GB1_31 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 262 402 + CE_GB1_31 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 262 395 + CE_GB1_31 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 262 399 + CE_GB1_31 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 262 400 + CE_GB1_31 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 262 401 + CE_GB1_31 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 262 402 CE_GB1_31 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 262 403 - CE_GB1_31 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 262 404 - CE_GB1_31 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 262 408 - CE_GB1_31 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 262 409 - CE_GB1_31 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 262 410 - CE_GB1_31 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 262 411 + CE_GB1_31 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 262 404 + CE_GB1_31 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 262 408 + CE_GB1_31 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 262 409 + CE_GB1_31 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 262 410 + CE_GB1_31 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 262 411 CE_GB1_31 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 262 412 - CE_GB1_31 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 262 413 - CE_GB1_31 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 262 417 + CE_GB1_31 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 262 413 + CE_GB1_31 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 262 417 CE_GB1_31 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 262 418 - CE_GB1_31 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 262 419 - CE_GB1_31 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 262 423 - CE_GB1_31 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 262 425 + CE_GB1_31 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 262 419 + CE_GB1_31 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 262 423 + CE_GB1_31 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 262 425 CE_GB1_31 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 262 426 - CE_GB1_31 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 262 427 - CE_GB1_31 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 262 434 - CE_GB1_31 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 262 435 + CE_GB1_31 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 262 427 + CE_GB1_31 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 262 434 + CE_GB1_31 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 262 435 CE_GB1_31 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 262 436 - CE_GB1_31 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 262 437 - CE_GB1_31 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 262 441 - CE_GB1_31 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 262 443 + CE_GB1_31 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 262 437 + CE_GB1_31 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 262 441 + CE_GB1_31 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 262 443 CE_GB1_31 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 262 444 - CE_GB1_31 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 262 445 - CE_GB1_31 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 262 455 + CE_GB1_31 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 262 445 + CE_GB1_31 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 262 455 CE_GB1_31 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 262 456 - CE_GB1_31 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 262 457 - CE_GB1_31 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 262 461 - CE_GB1_31 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 262 463 + CE_GB1_31 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 262 457 + CE_GB1_31 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 262 461 + CE_GB1_31 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 262 463 CE_GB1_31 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 262 464 - CE_GB1_31 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 262 465 - CE_GB1_31 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 262 471 + CE_GB1_31 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 262 465 + CE_GB1_31 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 262 471 CE_GB1_31 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 262 472 - CE_GB1_31 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 262 473 - CE_GB1_31 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 262 477 - CE_GB1_31 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 262 479 + CE_GB1_31 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 262 473 + CE_GB1_31 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 262 477 + CE_GB1_31 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 262 479 CE_GB1_31 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 262 480 - CE_GB1_31 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 262 481 - CE_GB1_31 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 262 486 - CE_GB1_31 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 262 487 - CE_GB1_31 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 262 488 - CE_GB1_31 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 262 489 - CE_GB1_31 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 262 490 - CE_GB1_31 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 262 491 + CE_GB1_31 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 262 481 + CE_GB1_31 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 262 486 + CE_GB1_31 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 262 487 + CE_GB1_31 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 262 488 + CE_GB1_31 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 262 489 + CE_GB1_31 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 262 490 + CE_GB1_31 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 262 491 NZ_GB1_31 NZ_GB1_31 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.0 1.0 1.0 1.0 False mg 7 263 263 - NZ_GB1_31 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 263 269 - NZ_GB1_31 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 263 270 - NZ_GB1_31 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 263 279 - NZ_GB1_31 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 263 292 - NZ_GB1_31 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 263 298 - NZ_GB1_31 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 263 307 - NZ_GB1_31 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 263 316 - NZ_GB1_31 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 263 324 - NZ_GB1_31 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 263 330 - NZ_GB1_31 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 263 331 - NZ_GB1_31 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 263 332 - NZ_GB1_31 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 263 338 - NZ_GB1_31 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 263 346 - NZ_GB1_31 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 263 352 - NZ_GB1_31 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 263 353 - NZ_GB1_31 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 263 362 - NZ_GB1_31 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 263 377 - NZ_GB1_31 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 263 379 - NZ_GB1_31 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 263 385 - NZ_GB1_31 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 263 398 - NZ_GB1_31 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 263 407 - NZ_GB1_31 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 263 416 - NZ_GB1_31 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 263 422 - NZ_GB1_31 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 263 424 - NZ_GB1_31 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 263 430 - NZ_GB1_31 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 263 431 - NZ_GB1_31 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 263 432 - NZ_GB1_31 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 263 433 + NZ_GB1_31 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 263 269 + NZ_GB1_31 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 263 270 + NZ_GB1_31 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 263 279 + NZ_GB1_31 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 263 292 + NZ_GB1_31 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 263 298 + NZ_GB1_31 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 263 307 + NZ_GB1_31 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 263 316 + NZ_GB1_31 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 263 324 + NZ_GB1_31 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 263 330 + NZ_GB1_31 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 263 331 + NZ_GB1_31 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 263 332 + NZ_GB1_31 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 263 338 + NZ_GB1_31 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 263 346 + NZ_GB1_31 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 263 352 + NZ_GB1_31 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 263 353 + NZ_GB1_31 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 263 362 + NZ_GB1_31 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 263 377 + NZ_GB1_31 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 263 379 + NZ_GB1_31 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 263 385 + NZ_GB1_31 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 263 398 + NZ_GB1_31 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 263 407 + NZ_GB1_31 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 263 416 + NZ_GB1_31 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 263 422 + NZ_GB1_31 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 263 424 + NZ_GB1_31 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 263 430 + NZ_GB1_31 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 263 431 + NZ_GB1_31 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 263 432 + NZ_GB1_31 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 263 433 NZ_GB1_31 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.0 1.0 1.0 1.0 False mg 7 263 434 - NZ_GB1_31 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 263 440 - NZ_GB1_31 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 263 442 - NZ_GB1_31 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 263 448 - NZ_GB1_31 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 263 460 - NZ_GB1_31 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 263 462 - NZ_GB1_31 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 263 468 - NZ_GB1_31 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 263 469 - NZ_GB1_31 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 263 470 - NZ_GB1_31 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 263 476 - NZ_GB1_31 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 263 478 - NZ_GB1_31 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 263 484 - NZ_GB1_31 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 263 485 - C_GB1_31 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 264 269 - C_GB1_31 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 264 270 - C_GB1_31 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 264 279 - C_GB1_31 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 264 292 - C_GB1_31 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 264 298 - C_GB1_31 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 264 307 - C_GB1_31 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 264 316 - C_GB1_31 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 264 324 - C_GB1_31 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 264 330 - C_GB1_31 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 264 331 - C_GB1_31 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 264 332 - C_GB1_31 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 264 338 - C_GB1_31 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 264 346 - C_GB1_31 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 264 352 - C_GB1_31 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 264 353 - C_GB1_31 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 264 362 - C_GB1_31 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 264 377 - C_GB1_31 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 264 379 - C_GB1_31 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 264 385 - C_GB1_31 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 264 398 - C_GB1_31 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 264 407 - C_GB1_31 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 264 416 - C_GB1_31 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 264 422 - C_GB1_31 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 264 424 - C_GB1_31 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 264 430 - C_GB1_31 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 264 431 - C_GB1_31 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 264 432 - C_GB1_31 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 264 433 - C_GB1_31 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 264 440 - C_GB1_31 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 264 442 - C_GB1_31 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 264 448 - C_GB1_31 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 264 460 - C_GB1_31 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 264 462 - C_GB1_31 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 264 468 - C_GB1_31 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 264 469 - C_GB1_31 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 264 470 - C_GB1_31 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 264 476 - C_GB1_31 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 264 478 - C_GB1_31 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 264 484 - C_GB1_31 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 264 485 + NZ_GB1_31 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 263 440 + NZ_GB1_31 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 263 442 + NZ_GB1_31 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 263 448 + NZ_GB1_31 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 263 460 + NZ_GB1_31 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 263 462 + NZ_GB1_31 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 263 468 + NZ_GB1_31 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 263 469 + NZ_GB1_31 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 263 470 + NZ_GB1_31 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 263 476 + NZ_GB1_31 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 263 478 + NZ_GB1_31 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 263 484 + NZ_GB1_31 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 263 485 + C_GB1_31 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 264 269 + C_GB1_31 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 264 270 + C_GB1_31 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 264 279 + C_GB1_31 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 264 292 + C_GB1_31 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 264 298 + C_GB1_31 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 264 307 + C_GB1_31 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 264 316 + C_GB1_31 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 264 324 + C_GB1_31 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 264 330 + C_GB1_31 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 264 331 + C_GB1_31 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 264 332 + C_GB1_31 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 264 338 + C_GB1_31 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 264 346 + C_GB1_31 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 264 352 + C_GB1_31 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 264 353 + C_GB1_31 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 264 362 + C_GB1_31 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 264 377 + C_GB1_31 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 264 379 + C_GB1_31 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 264 385 + C_GB1_31 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 264 398 + C_GB1_31 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 264 407 + C_GB1_31 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 264 416 + C_GB1_31 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 264 422 + C_GB1_31 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 264 424 + C_GB1_31 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 264 430 + C_GB1_31 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 264 431 + C_GB1_31 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 264 432 + C_GB1_31 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 264 433 + C_GB1_31 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 264 440 + C_GB1_31 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 264 442 + C_GB1_31 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 264 448 + C_GB1_31 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 264 460 + C_GB1_31 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 264 462 + C_GB1_31 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 264 468 + C_GB1_31 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 264 469 + C_GB1_31 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 264 470 + C_GB1_31 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 264 476 + C_GB1_31 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 264 478 + C_GB1_31 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 264 484 + C_GB1_31 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 264 485 O_GB1_31 O_GB1_31 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 265 265 O_GB1_31 H_GB1_32 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 265 267 O_GB1_31 CB_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 265 269 @@ -30076,46 +30076,46 @@ CG2_GB1_29 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- O_GB1_31 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 265 488 O_GB1_31 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 265 490 O_GB1_31 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 265 491 - N_GB1_32 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 266 269 - N_GB1_32 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 266 270 - N_GB1_32 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 266 279 - N_GB1_32 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 266 292 - N_GB1_32 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 266 298 - N_GB1_32 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 266 307 - N_GB1_32 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 266 316 - N_GB1_32 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 266 324 - N_GB1_32 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 266 330 - N_GB1_32 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 266 331 - N_GB1_32 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 266 332 - N_GB1_32 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 266 338 - N_GB1_32 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 266 346 - N_GB1_32 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 266 352 - N_GB1_32 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 266 353 - N_GB1_32 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 266 362 - N_GB1_32 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 266 377 - N_GB1_32 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 266 379 - N_GB1_32 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 266 385 - N_GB1_32 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 266 398 - N_GB1_32 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 266 407 - N_GB1_32 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 266 416 - N_GB1_32 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 266 422 - N_GB1_32 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 266 424 - N_GB1_32 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 266 430 - N_GB1_32 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 266 431 - N_GB1_32 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 266 432 - N_GB1_32 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 266 433 - N_GB1_32 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 266 440 - N_GB1_32 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 266 442 - N_GB1_32 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 266 448 - N_GB1_32 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 266 460 - N_GB1_32 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 266 462 - N_GB1_32 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 266 468 - N_GB1_32 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 266 469 - N_GB1_32 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 266 470 - N_GB1_32 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 266 476 - N_GB1_32 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 266 478 - N_GB1_32 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 266 484 - N_GB1_32 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 266 485 + N_GB1_32 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 266 269 + N_GB1_32 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 266 270 + N_GB1_32 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 266 279 + N_GB1_32 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 266 292 + N_GB1_32 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 266 298 + N_GB1_32 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 266 307 + N_GB1_32 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 266 316 + N_GB1_32 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 266 324 + N_GB1_32 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 266 330 + N_GB1_32 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 266 331 + N_GB1_32 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 266 332 + N_GB1_32 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 266 338 + N_GB1_32 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 266 346 + N_GB1_32 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 266 352 + N_GB1_32 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 266 353 + N_GB1_32 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 266 362 + N_GB1_32 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 266 377 + N_GB1_32 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 266 379 + N_GB1_32 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 266 385 + N_GB1_32 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 266 398 + N_GB1_32 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 266 407 + N_GB1_32 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 266 416 + N_GB1_32 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 266 422 + N_GB1_32 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 266 424 + N_GB1_32 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 266 430 + N_GB1_32 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 266 431 + N_GB1_32 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 266 432 + N_GB1_32 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 266 433 + N_GB1_32 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 266 440 + N_GB1_32 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 266 442 + N_GB1_32 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 266 448 + N_GB1_32 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 266 460 + N_GB1_32 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 266 462 + N_GB1_32 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 266 468 + N_GB1_32 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 266 469 + N_GB1_32 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 266 470 + N_GB1_32 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 266 476 + N_GB1_32 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 266 478 + N_GB1_32 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 266 484 + N_GB1_32 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 266 485 H_GB1_32 H_GB1_32 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 267 267 H_GB1_32 OE1_GB1_32 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 267 272 H_GB1_32 O_GB1_32 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 267 275 @@ -30189,266 +30189,266 @@ CG2_GB1_29 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- H_GB1_32 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 267 488 H_GB1_32 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 267 490 H_GB1_32 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 267 491 - CB_GB1_32 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 269 271 + CB_GB1_32 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 269 271 CB_GB1_32 OE1_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 269 272 - CB_GB1_32 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 269 273 - CB_GB1_32 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 269 274 + CB_GB1_32 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 269 273 + CB_GB1_32 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 269 274 CB_GB1_32 O_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 269 275 - CB_GB1_32 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 269 276 - CB_GB1_32 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 269 286 - CB_GB1_32 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 269 287 + CB_GB1_32 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 269 276 + CB_GB1_32 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 269 286 + CB_GB1_32 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 269 287 CB_GB1_32 O_GB1_33 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 269 288 - CB_GB1_32 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 269 289 - CB_GB1_32 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 269 293 + CB_GB1_32 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 269 289 + CB_GB1_32 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 269 293 CB_GB1_32 O_GB1_34 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 269 294 - CB_GB1_32 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 269 295 - CB_GB1_32 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 269 299 + CB_GB1_32 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 269 295 + CB_GB1_32 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 269 299 CB_GB1_32 OD1_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 269 300 - CB_GB1_32 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 269 301 - CB_GB1_32 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 269 302 + CB_GB1_32 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 269 301 + CB_GB1_32 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 269 302 CB_GB1_32 O_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 269 303 - CB_GB1_32 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 269 304 - CB_GB1_32 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 269 308 - CB_GB1_32 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 269 309 - CB_GB1_32 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 269 310 - CB_GB1_32 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 269 311 + CB_GB1_32 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 269 304 + CB_GB1_32 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 269 308 + CB_GB1_32 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 269 309 + CB_GB1_32 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 269 310 + CB_GB1_32 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 269 311 CB_GB1_32 O_GB1_36 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 269 312 - CB_GB1_32 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 269 313 - CB_GB1_32 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 269 317 + CB_GB1_32 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 269 313 + CB_GB1_32 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 269 317 CB_GB1_32 OD1_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 269 318 - CB_GB1_32 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 269 319 - CB_GB1_32 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 269 320 + CB_GB1_32 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 269 319 + CB_GB1_32 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 269 320 CB_GB1_32 O_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 269 321 - CB_GB1_32 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 269 322 - CB_GB1_32 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 269 325 + CB_GB1_32 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 269 322 + CB_GB1_32 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 269 325 CB_GB1_32 O_GB1_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 269 326 - CB_GB1_32 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 269 327 - CB_GB1_32 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 269 333 + CB_GB1_32 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 269 327 + CB_GB1_32 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 269 333 CB_GB1_32 O_GB1_39 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 269 334 - CB_GB1_32 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 269 335 - CB_GB1_32 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 269 339 - CB_GB1_32 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 269 340 - CB_GB1_32 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 269 341 - CB_GB1_32 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 269 342 + CB_GB1_32 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 269 335 + CB_GB1_32 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 269 339 + CB_GB1_32 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 269 340 + CB_GB1_32 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 269 341 + CB_GB1_32 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 269 342 CB_GB1_32 O_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 269 343 - CB_GB1_32 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 269 344 - CB_GB1_32 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 269 347 + CB_GB1_32 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 269 344 + CB_GB1_32 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 269 347 CB_GB1_32 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 269 348 - CB_GB1_32 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 269 349 - CB_GB1_32 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 269 354 - CB_GB1_32 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 269 355 - CB_GB1_32 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 269 356 - CB_GB1_32 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 269 357 + CB_GB1_32 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 269 349 + CB_GB1_32 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 269 354 + CB_GB1_32 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 269 355 + CB_GB1_32 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 269 356 + CB_GB1_32 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 269 357 CB_GB1_32 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 269 358 - CB_GB1_32 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 269 359 - CB_GB1_32 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 269 366 - CB_GB1_32 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 269 372 + CB_GB1_32 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 269 359 + CB_GB1_32 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 269 366 + CB_GB1_32 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 269 372 CB_GB1_32 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 269 373 - CB_GB1_32 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 269 374 - CB_GB1_32 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 269 378 - CB_GB1_32 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 269 380 + CB_GB1_32 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 269 374 + CB_GB1_32 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 269 378 + CB_GB1_32 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 269 380 CB_GB1_32 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 269 381 - CB_GB1_32 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 269 382 - CB_GB1_32 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 269 392 - CB_GB1_32 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 269 393 + CB_GB1_32 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 269 382 + CB_GB1_32 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 269 392 + CB_GB1_32 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 269 393 CB_GB1_32 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 269 394 - CB_GB1_32 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 269 395 - CB_GB1_32 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 269 399 - CB_GB1_32 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 269 400 - CB_GB1_32 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 269 401 - CB_GB1_32 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 269 402 + CB_GB1_32 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 269 395 + CB_GB1_32 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 269 399 + CB_GB1_32 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 269 400 + CB_GB1_32 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 269 401 + CB_GB1_32 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 269 402 CB_GB1_32 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 269 403 - CB_GB1_32 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 269 404 - CB_GB1_32 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 269 408 - CB_GB1_32 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 269 409 - CB_GB1_32 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 269 410 - CB_GB1_32 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 269 411 + CB_GB1_32 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 269 404 + CB_GB1_32 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 269 408 + CB_GB1_32 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 269 409 + CB_GB1_32 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 269 410 + CB_GB1_32 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 269 411 CB_GB1_32 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 269 412 - CB_GB1_32 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 269 413 - CB_GB1_32 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 269 417 + CB_GB1_32 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 269 413 + CB_GB1_32 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 269 417 CB_GB1_32 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 269 418 - CB_GB1_32 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 269 419 - CB_GB1_32 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 269 423 - CB_GB1_32 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 269 425 + CB_GB1_32 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 269 419 + CB_GB1_32 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 269 423 + CB_GB1_32 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 269 425 CB_GB1_32 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 269 426 - CB_GB1_32 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 269 427 - CB_GB1_32 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 269 434 - CB_GB1_32 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 269 435 + CB_GB1_32 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 269 427 + CB_GB1_32 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 269 434 + CB_GB1_32 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 269 435 CB_GB1_32 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 269 436 - CB_GB1_32 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 269 437 - CB_GB1_32 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 269 441 - CB_GB1_32 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 269 443 + CB_GB1_32 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 269 437 + CB_GB1_32 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 269 441 + CB_GB1_32 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 269 443 CB_GB1_32 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 269 444 - CB_GB1_32 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 269 445 - CB_GB1_32 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 269 455 + CB_GB1_32 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 269 445 + CB_GB1_32 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 269 455 CB_GB1_32 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 269 456 - CB_GB1_32 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 269 457 - CB_GB1_32 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 269 461 - CB_GB1_32 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 269 463 + CB_GB1_32 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 269 457 + CB_GB1_32 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 269 461 + CB_GB1_32 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 269 463 CB_GB1_32 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 269 464 - CB_GB1_32 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 269 465 - CB_GB1_32 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 269 471 + CB_GB1_32 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 269 465 + CB_GB1_32 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 269 471 CB_GB1_32 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 269 472 - CB_GB1_32 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 269 473 - CB_GB1_32 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 269 477 - CB_GB1_32 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 269 479 + CB_GB1_32 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 269 473 + CB_GB1_32 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 269 477 + CB_GB1_32 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 269 479 CB_GB1_32 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 269 480 - CB_GB1_32 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 269 481 - CB_GB1_32 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 269 486 - CB_GB1_32 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 269 487 - CB_GB1_32 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 269 488 - CB_GB1_32 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 269 489 - CB_GB1_32 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 269 490 - CB_GB1_32 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 269 491 - CG_GB1_32 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 270 271 + CB_GB1_32 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 269 481 + CB_GB1_32 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 269 486 + CB_GB1_32 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 269 487 + CB_GB1_32 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 269 488 + CB_GB1_32 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 269 489 + CB_GB1_32 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 269 490 + CB_GB1_32 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 269 491 + CG_GB1_32 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 270 271 CG_GB1_32 OE1_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 270 272 - CG_GB1_32 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 270 273 - CG_GB1_32 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 270 274 + CG_GB1_32 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 270 273 + CG_GB1_32 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 270 274 CG_GB1_32 O_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 270 275 - CG_GB1_32 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 270 276 - CG_GB1_32 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 270 286 - CG_GB1_32 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 270 287 + CG_GB1_32 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 270 276 + CG_GB1_32 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 270 286 + CG_GB1_32 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 270 287 CG_GB1_32 O_GB1_33 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 270 288 - CG_GB1_32 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 270 289 - CG_GB1_32 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 270 293 + CG_GB1_32 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 270 289 + CG_GB1_32 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 270 293 CG_GB1_32 O_GB1_34 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 270 294 - CG_GB1_32 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 270 295 - CG_GB1_32 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 270 299 + CG_GB1_32 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 270 295 + CG_GB1_32 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 270 299 CG_GB1_32 OD1_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 270 300 - CG_GB1_32 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 270 301 - CG_GB1_32 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 270 302 + CG_GB1_32 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 270 301 + CG_GB1_32 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 270 302 CG_GB1_32 O_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 270 303 - CG_GB1_32 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 270 304 - CG_GB1_32 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 270 308 - CG_GB1_32 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 270 309 - CG_GB1_32 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 270 310 - CG_GB1_32 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 270 311 + CG_GB1_32 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 270 304 + CG_GB1_32 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 270 308 + CG_GB1_32 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 270 309 + CG_GB1_32 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 270 310 + CG_GB1_32 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 270 311 CG_GB1_32 O_GB1_36 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 270 312 - CG_GB1_32 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 270 313 - CG_GB1_32 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 270 317 + CG_GB1_32 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 270 313 + CG_GB1_32 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 270 317 CG_GB1_32 OD1_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 270 318 - CG_GB1_32 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 270 319 - CG_GB1_32 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 270 320 + CG_GB1_32 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 270 319 + CG_GB1_32 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 270 320 CG_GB1_32 O_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 270 321 - CG_GB1_32 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 270 322 - CG_GB1_32 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 270 325 + CG_GB1_32 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 270 322 + CG_GB1_32 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 270 325 CG_GB1_32 O_GB1_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 270 326 - CG_GB1_32 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 270 327 - CG_GB1_32 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 270 333 + CG_GB1_32 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 270 327 + CG_GB1_32 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 270 333 CG_GB1_32 O_GB1_39 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 270 334 - CG_GB1_32 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 270 335 - CG_GB1_32 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 270 339 - CG_GB1_32 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 270 340 - CG_GB1_32 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 270 341 - CG_GB1_32 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 270 342 + CG_GB1_32 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 270 335 + CG_GB1_32 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 270 339 + CG_GB1_32 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 270 340 + CG_GB1_32 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 270 341 + CG_GB1_32 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 270 342 CG_GB1_32 O_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 270 343 - CG_GB1_32 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 270 344 - CG_GB1_32 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 270 347 + CG_GB1_32 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 270 344 + CG_GB1_32 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 270 347 CG_GB1_32 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 270 348 - CG_GB1_32 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 270 349 - CG_GB1_32 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 270 354 - CG_GB1_32 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 270 355 - CG_GB1_32 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 270 356 - CG_GB1_32 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 270 357 + CG_GB1_32 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 270 349 + CG_GB1_32 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 270 354 + CG_GB1_32 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 270 355 + CG_GB1_32 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 270 356 + CG_GB1_32 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 270 357 CG_GB1_32 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 270 358 - CG_GB1_32 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 270 359 - CG_GB1_32 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 270 366 - CG_GB1_32 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 270 372 + CG_GB1_32 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 270 359 + CG_GB1_32 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 270 366 + CG_GB1_32 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 270 372 CG_GB1_32 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 270 373 - CG_GB1_32 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 270 374 - CG_GB1_32 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 270 378 - CG_GB1_32 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 270 380 + CG_GB1_32 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 270 374 + CG_GB1_32 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 270 378 + CG_GB1_32 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 270 380 CG_GB1_32 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 270 381 - CG_GB1_32 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 270 382 - CG_GB1_32 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 270 392 - CG_GB1_32 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 270 393 + CG_GB1_32 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 270 382 + CG_GB1_32 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 270 392 + CG_GB1_32 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 270 393 CG_GB1_32 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 270 394 - CG_GB1_32 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 270 395 - CG_GB1_32 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 270 399 - CG_GB1_32 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 270 400 - CG_GB1_32 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 270 401 - CG_GB1_32 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 270 402 + CG_GB1_32 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 270 395 + CG_GB1_32 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 270 399 + CG_GB1_32 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 270 400 + CG_GB1_32 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 270 401 + CG_GB1_32 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 270 402 CG_GB1_32 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 270 403 - CG_GB1_32 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 270 404 - CG_GB1_32 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 270 408 - CG_GB1_32 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 270 409 - CG_GB1_32 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 270 410 - CG_GB1_32 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 270 411 + CG_GB1_32 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 270 404 + CG_GB1_32 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 270 408 + CG_GB1_32 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 270 409 + CG_GB1_32 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 270 410 + CG_GB1_32 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 270 411 CG_GB1_32 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 270 412 - CG_GB1_32 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 270 413 - CG_GB1_32 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 270 417 + CG_GB1_32 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 270 413 + CG_GB1_32 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 270 417 CG_GB1_32 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 270 418 - CG_GB1_32 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 270 419 - CG_GB1_32 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 270 423 - CG_GB1_32 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 270 425 + CG_GB1_32 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 270 419 + CG_GB1_32 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 270 423 + CG_GB1_32 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 270 425 CG_GB1_32 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 270 426 - CG_GB1_32 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 270 427 - CG_GB1_32 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 270 434 - CG_GB1_32 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 270 435 + CG_GB1_32 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 270 427 + CG_GB1_32 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 270 434 + CG_GB1_32 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 270 435 CG_GB1_32 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 270 436 - CG_GB1_32 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 270 437 - CG_GB1_32 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 270 441 - CG_GB1_32 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 270 443 + CG_GB1_32 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 270 437 + CG_GB1_32 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 270 441 + CG_GB1_32 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 270 443 CG_GB1_32 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 270 444 - CG_GB1_32 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 270 445 - CG_GB1_32 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 270 455 + CG_GB1_32 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 270 445 + CG_GB1_32 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 270 455 CG_GB1_32 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 270 456 - CG_GB1_32 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 270 457 - CG_GB1_32 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 270 461 - CG_GB1_32 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 270 463 + CG_GB1_32 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 270 457 + CG_GB1_32 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 270 461 + CG_GB1_32 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 270 463 CG_GB1_32 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 270 464 - CG_GB1_32 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 270 465 - CG_GB1_32 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 270 471 + CG_GB1_32 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 270 465 + CG_GB1_32 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 270 471 CG_GB1_32 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 270 472 - CG_GB1_32 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 270 473 - CG_GB1_32 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 270 477 - CG_GB1_32 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 270 479 + CG_GB1_32 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 270 473 + CG_GB1_32 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 270 477 + CG_GB1_32 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 270 479 CG_GB1_32 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 270 480 - CG_GB1_32 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 270 481 - CG_GB1_32 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 270 486 - CG_GB1_32 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 270 487 - CG_GB1_32 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 270 488 - CG_GB1_32 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 270 489 - CG_GB1_32 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 270 490 - CG_GB1_32 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 270 491 - CD_GB1_32 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 271 279 - CD_GB1_32 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 271 292 - CD_GB1_32 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 271 298 - CD_GB1_32 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 271 307 - CD_GB1_32 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 271 316 - CD_GB1_32 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 271 324 - CD_GB1_32 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 271 330 - CD_GB1_32 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 271 331 - CD_GB1_32 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 271 332 - CD_GB1_32 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 271 338 - CD_GB1_32 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 271 346 - CD_GB1_32 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 271 352 - CD_GB1_32 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 271 353 - CD_GB1_32 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 271 362 - CD_GB1_32 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 271 377 - CD_GB1_32 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 271 379 - CD_GB1_32 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 271 385 - CD_GB1_32 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 271 398 - CD_GB1_32 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 271 407 - CD_GB1_32 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 271 416 - CD_GB1_32 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 271 422 - CD_GB1_32 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 271 424 - CD_GB1_32 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 271 430 - CD_GB1_32 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 271 431 - CD_GB1_32 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 271 432 - CD_GB1_32 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 271 433 - CD_GB1_32 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 271 440 - CD_GB1_32 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 271 442 - CD_GB1_32 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 271 448 - CD_GB1_32 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 271 460 - CD_GB1_32 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 271 462 - CD_GB1_32 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 271 468 - CD_GB1_32 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 271 469 - CD_GB1_32 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 271 470 - CD_GB1_32 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 271 476 - CD_GB1_32 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 271 478 - CD_GB1_32 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 271 484 - CD_GB1_32 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 271 485 + CG_GB1_32 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 270 481 + CG_GB1_32 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 270 486 + CG_GB1_32 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 270 487 + CG_GB1_32 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 270 488 + CG_GB1_32 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 270 489 + CG_GB1_32 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 270 490 + CG_GB1_32 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 270 491 + CD_GB1_32 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 271 279 + CD_GB1_32 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 271 292 + CD_GB1_32 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 271 298 + CD_GB1_32 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 271 307 + CD_GB1_32 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 271 316 + CD_GB1_32 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 271 324 + CD_GB1_32 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 271 330 + CD_GB1_32 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 271 331 + CD_GB1_32 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 271 332 + CD_GB1_32 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 271 338 + CD_GB1_32 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 271 346 + CD_GB1_32 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 271 352 + CD_GB1_32 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 271 353 + CD_GB1_32 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 271 362 + CD_GB1_32 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 271 377 + CD_GB1_32 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 271 379 + CD_GB1_32 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 271 385 + CD_GB1_32 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 271 398 + CD_GB1_32 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 271 407 + CD_GB1_32 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 271 416 + CD_GB1_32 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 271 422 + CD_GB1_32 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 271 424 + CD_GB1_32 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 271 430 + CD_GB1_32 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 271 431 + CD_GB1_32 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 271 432 + CD_GB1_32 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 271 433 + CD_GB1_32 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 271 440 + CD_GB1_32 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 271 442 + CD_GB1_32 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 271 448 + CD_GB1_32 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 271 460 + CD_GB1_32 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 271 462 + CD_GB1_32 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 271 468 + CD_GB1_32 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 271 469 + CD_GB1_32 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 271 470 + CD_GB1_32 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 271 476 + CD_GB1_32 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 271 478 + CD_GB1_32 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 271 484 + CD_GB1_32 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 271 485 OE1_GB1_32 OE1_GB1_32 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 272 272 OE1_GB1_32 O_GB1_32 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 272 275 OE1_GB1_32 H_GB1_33 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 272 277 @@ -30552,82 +30552,82 @@ OE1_GB1_32 OE1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- OE1_GB1_32 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 272 488 OE1_GB1_32 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 272 490 OE1_GB1_32 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 272 491 -NE2_GB1_32 CB_GB1_33 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 273 279 -NE2_GB1_32 CB_GB1_34 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 273 292 -NE2_GB1_32 CB_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 273 298 -NE2_GB1_32 CB_GB1_36 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 273 307 -NE2_GB1_32 CB_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 273 316 -NE2_GB1_32 CA_GB1_38 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 273 324 -NE2_GB1_32 CB_GB1_39 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 273 330 -NE2_GB1_32 CG1_GB1_39 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 273 331 -NE2_GB1_32 CG2_GB1_39 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 273 332 -NE2_GB1_32 CB_GB1_40 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 273 338 -NE2_GB1_32 CA_GB1_41 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 273 346 -NE2_GB1_32 CB_GB1_42 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 273 352 -NE2_GB1_32 CG_GB1_42 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 273 353 -NE2_GB1_32 CB_GB1_43 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 273 362 -NE2_GB1_32 CB_GB1_44 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 273 377 -NE2_GB1_32 CG2_GB1_44 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 273 379 -NE2_GB1_32 CB_GB1_45 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 273 385 -NE2_GB1_32 CB_GB1_46 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 273 398 -NE2_GB1_32 CB_GB1_47 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 273 407 -NE2_GB1_32 CB_GB1_48 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 273 416 -NE2_GB1_32 CB_GB1_49 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 273 422 -NE2_GB1_32 CG2_GB1_49 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 273 424 -NE2_GB1_32 CB_GB1_50 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 273 430 -NE2_GB1_32 CG_GB1_50 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 273 431 -NE2_GB1_32 CD_GB1_50 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 273 432 -NE2_GB1_32 CE_GB1_50 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 273 433 -NE2_GB1_32 CB_GB1_51 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 273 440 -NE2_GB1_32 CG2_GB1_51 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 273 442 -NE2_GB1_32 CB_GB1_52 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 273 448 -NE2_GB1_32 CB_GB1_53 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 273 460 -NE2_GB1_32 CG2_GB1_53 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 273 462 -NE2_GB1_32 CB_GB1_54 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 273 468 -NE2_GB1_32 CG1_GB1_54 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 273 469 -NE2_GB1_32 CG2_GB1_54 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 273 470 -NE2_GB1_32 CB_GB1_55 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 273 476 -NE2_GB1_32 CG2_GB1_55 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 273 478 -NE2_GB1_32 CB_GB1_56 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 273 484 -NE2_GB1_32 CG_GB1_56 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 273 485 - C_GB1_32 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 274 279 - C_GB1_32 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 274 292 - C_GB1_32 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 274 298 - C_GB1_32 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 274 307 - C_GB1_32 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 274 316 - C_GB1_32 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 274 324 - C_GB1_32 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 274 330 - C_GB1_32 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 274 331 - C_GB1_32 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 274 332 - C_GB1_32 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 274 338 - C_GB1_32 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 274 346 - C_GB1_32 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 274 352 - C_GB1_32 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 274 353 - C_GB1_32 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 274 362 - C_GB1_32 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 274 377 - C_GB1_32 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 274 379 - C_GB1_32 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 274 385 - C_GB1_32 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 274 398 - C_GB1_32 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 274 407 - C_GB1_32 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 274 416 - C_GB1_32 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 274 422 - C_GB1_32 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 274 424 - C_GB1_32 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 274 430 - C_GB1_32 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 274 431 - C_GB1_32 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 274 432 - C_GB1_32 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 274 433 - C_GB1_32 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 274 440 - C_GB1_32 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 274 442 - C_GB1_32 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 274 448 - C_GB1_32 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 274 460 - C_GB1_32 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 274 462 - C_GB1_32 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 274 468 - C_GB1_32 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 274 469 - C_GB1_32 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 274 470 - C_GB1_32 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 274 476 - C_GB1_32 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 274 478 - C_GB1_32 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 274 484 - C_GB1_32 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 274 485 +NE2_GB1_32 CB_GB1_33 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 273 279 +NE2_GB1_32 CB_GB1_34 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 273 292 +NE2_GB1_32 CB_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 273 298 +NE2_GB1_32 CB_GB1_36 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 273 307 +NE2_GB1_32 CB_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 273 316 +NE2_GB1_32 CA_GB1_38 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 273 324 +NE2_GB1_32 CB_GB1_39 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 273 330 +NE2_GB1_32 CG1_GB1_39 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 273 331 +NE2_GB1_32 CG2_GB1_39 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 273 332 +NE2_GB1_32 CB_GB1_40 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 273 338 +NE2_GB1_32 CA_GB1_41 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 273 346 +NE2_GB1_32 CB_GB1_42 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 273 352 +NE2_GB1_32 CG_GB1_42 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 273 353 +NE2_GB1_32 CB_GB1_43 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 273 362 +NE2_GB1_32 CB_GB1_44 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 273 377 +NE2_GB1_32 CG2_GB1_44 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 273 379 +NE2_GB1_32 CB_GB1_45 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 273 385 +NE2_GB1_32 CB_GB1_46 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 273 398 +NE2_GB1_32 CB_GB1_47 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 273 407 +NE2_GB1_32 CB_GB1_48 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 273 416 +NE2_GB1_32 CB_GB1_49 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 273 422 +NE2_GB1_32 CG2_GB1_49 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 273 424 +NE2_GB1_32 CB_GB1_50 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 273 430 +NE2_GB1_32 CG_GB1_50 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 273 431 +NE2_GB1_32 CD_GB1_50 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 273 432 +NE2_GB1_32 CE_GB1_50 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 273 433 +NE2_GB1_32 CB_GB1_51 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 273 440 +NE2_GB1_32 CG2_GB1_51 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 273 442 +NE2_GB1_32 CB_GB1_52 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 273 448 +NE2_GB1_32 CB_GB1_53 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 273 460 +NE2_GB1_32 CG2_GB1_53 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 273 462 +NE2_GB1_32 CB_GB1_54 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 273 468 +NE2_GB1_32 CG1_GB1_54 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 273 469 +NE2_GB1_32 CG2_GB1_54 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 273 470 +NE2_GB1_32 CB_GB1_55 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 273 476 +NE2_GB1_32 CG2_GB1_55 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 273 478 +NE2_GB1_32 CB_GB1_56 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 273 484 +NE2_GB1_32 CG_GB1_56 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 273 485 + C_GB1_32 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 274 279 + C_GB1_32 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 274 292 + C_GB1_32 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 274 298 + C_GB1_32 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 274 307 + C_GB1_32 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 274 316 + C_GB1_32 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 274 324 + C_GB1_32 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 274 330 + C_GB1_32 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 274 331 + C_GB1_32 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 274 332 + C_GB1_32 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 274 338 + C_GB1_32 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 274 346 + C_GB1_32 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 274 352 + C_GB1_32 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 274 353 + C_GB1_32 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 274 362 + C_GB1_32 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 274 377 + C_GB1_32 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 274 379 + C_GB1_32 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 274 385 + C_GB1_32 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 274 398 + C_GB1_32 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 274 407 + C_GB1_32 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 274 416 + C_GB1_32 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 274 422 + C_GB1_32 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 274 424 + C_GB1_32 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 274 430 + C_GB1_32 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 274 431 + C_GB1_32 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 274 432 + C_GB1_32 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 274 433 + C_GB1_32 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 274 440 + C_GB1_32 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 274 442 + C_GB1_32 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 274 448 + C_GB1_32 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 274 460 + C_GB1_32 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 274 462 + C_GB1_32 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 274 468 + C_GB1_32 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 274 469 + C_GB1_32 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 274 470 + C_GB1_32 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 274 476 + C_GB1_32 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 274 478 + C_GB1_32 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 274 484 + C_GB1_32 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 274 485 O_GB1_32 O_GB1_32 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 275 275 O_GB1_32 H_GB1_33 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 275 277 O_GB1_32 CB_GB1_33 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 275 279 @@ -30730,44 +30730,44 @@ NE2_GB1_32 CG_GB1_56 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e- O_GB1_32 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 275 488 O_GB1_32 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 275 490 O_GB1_32 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 275 491 - N_GB1_33 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 276 279 - N_GB1_33 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 276 292 - N_GB1_33 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 276 298 - N_GB1_33 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 276 307 - N_GB1_33 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 276 316 - N_GB1_33 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 276 324 - N_GB1_33 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 276 330 - N_GB1_33 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 276 331 - N_GB1_33 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 276 332 - N_GB1_33 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 276 338 - N_GB1_33 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 276 346 - N_GB1_33 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 276 352 - N_GB1_33 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 276 353 - N_GB1_33 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 276 362 - N_GB1_33 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 276 377 - N_GB1_33 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 276 379 - N_GB1_33 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 276 385 - N_GB1_33 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 276 398 - N_GB1_33 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 276 407 - N_GB1_33 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 276 416 - N_GB1_33 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 276 422 - N_GB1_33 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 276 424 - N_GB1_33 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 276 430 - N_GB1_33 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 276 431 - N_GB1_33 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 276 432 - N_GB1_33 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 276 433 - N_GB1_33 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 276 440 - N_GB1_33 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 276 442 - N_GB1_33 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 276 448 - N_GB1_33 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 276 460 - N_GB1_33 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 276 462 - N_GB1_33 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 276 468 - N_GB1_33 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 276 469 - N_GB1_33 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 276 470 - N_GB1_33 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 276 476 - N_GB1_33 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 276 478 - N_GB1_33 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 276 484 - N_GB1_33 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 276 485 + N_GB1_33 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 276 279 + N_GB1_33 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 276 292 + N_GB1_33 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 276 298 + N_GB1_33 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 276 307 + N_GB1_33 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 276 316 + N_GB1_33 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 276 324 + N_GB1_33 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 276 330 + N_GB1_33 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 276 331 + N_GB1_33 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 276 332 + N_GB1_33 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 276 338 + N_GB1_33 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 276 346 + N_GB1_33 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 276 352 + N_GB1_33 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 276 353 + N_GB1_33 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 276 362 + N_GB1_33 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 276 377 + N_GB1_33 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 276 379 + N_GB1_33 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 276 385 + N_GB1_33 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 276 398 + N_GB1_33 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 276 407 + N_GB1_33 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 276 416 + N_GB1_33 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 276 422 + N_GB1_33 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 276 424 + N_GB1_33 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 276 430 + N_GB1_33 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 276 431 + N_GB1_33 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 276 432 + N_GB1_33 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 276 433 + N_GB1_33 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 276 440 + N_GB1_33 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 276 442 + N_GB1_33 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 276 448 + N_GB1_33 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 276 460 + N_GB1_33 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 276 462 + N_GB1_33 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 276 468 + N_GB1_33 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 276 469 + N_GB1_33 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 276 470 + N_GB1_33 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 276 476 + N_GB1_33 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 276 478 + N_GB1_33 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 276 484 + N_GB1_33 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 276 485 H_GB1_33 H_GB1_33 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 277 277 H_GB1_33 OH_GB1_33 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 277 286 H_GB1_33 O_GB1_33 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 277 288 @@ -30838,208 +30838,208 @@ NE2_GB1_32 CG_GB1_56 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e- H_GB1_33 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 277 488 H_GB1_33 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 277 490 H_GB1_33 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 277 491 - CB_GB1_33 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 279 286 - CB_GB1_33 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 279 287 + CB_GB1_33 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 279 286 + CB_GB1_33 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 279 287 CB_GB1_33 O_GB1_33 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 279 288 - CB_GB1_33 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 279 289 - CB_GB1_33 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 279 293 + CB_GB1_33 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 279 289 + CB_GB1_33 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 279 293 CB_GB1_33 O_GB1_34 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 279 294 - CB_GB1_33 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 279 295 - CB_GB1_33 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 279 299 + CB_GB1_33 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 279 295 + CB_GB1_33 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 279 299 CB_GB1_33 OD1_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 279 300 - CB_GB1_33 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 279 301 - CB_GB1_33 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 279 302 + CB_GB1_33 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 279 301 + CB_GB1_33 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 279 302 CB_GB1_33 O_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 279 303 - CB_GB1_33 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 279 304 - CB_GB1_33 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 279 308 - CB_GB1_33 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 279 309 - CB_GB1_33 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 279 310 - CB_GB1_33 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 279 311 + CB_GB1_33 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 279 304 + CB_GB1_33 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 279 308 + CB_GB1_33 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 279 309 + CB_GB1_33 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 279 310 + CB_GB1_33 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 279 311 CB_GB1_33 O_GB1_36 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 279 312 - CB_GB1_33 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 279 313 - CB_GB1_33 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 279 317 + CB_GB1_33 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 279 313 + CB_GB1_33 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 279 317 CB_GB1_33 OD1_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 279 318 - CB_GB1_33 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 279 319 - CB_GB1_33 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 279 320 + CB_GB1_33 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 279 319 + CB_GB1_33 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 279 320 CB_GB1_33 O_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 279 321 - CB_GB1_33 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 279 322 - CB_GB1_33 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 279 325 + CB_GB1_33 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 279 322 + CB_GB1_33 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 279 325 CB_GB1_33 O_GB1_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 279 326 - CB_GB1_33 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 279 327 - CB_GB1_33 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 279 333 + CB_GB1_33 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 279 327 + CB_GB1_33 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 279 333 CB_GB1_33 O_GB1_39 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 279 334 - CB_GB1_33 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 279 335 - CB_GB1_33 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 279 339 - CB_GB1_33 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 279 340 - CB_GB1_33 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 279 341 - CB_GB1_33 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 279 342 + CB_GB1_33 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 279 335 + CB_GB1_33 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 279 339 + CB_GB1_33 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 279 340 + CB_GB1_33 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 279 341 + CB_GB1_33 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 279 342 CB_GB1_33 O_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 279 343 - CB_GB1_33 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 279 344 - CB_GB1_33 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 279 347 + CB_GB1_33 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 279 344 + CB_GB1_33 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 279 347 CB_GB1_33 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 279 348 - CB_GB1_33 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 279 349 - CB_GB1_33 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 279 354 - CB_GB1_33 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 279 355 - CB_GB1_33 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 279 356 - CB_GB1_33 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 279 357 + CB_GB1_33 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 279 349 + CB_GB1_33 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 279 354 + CB_GB1_33 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 279 355 + CB_GB1_33 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 279 356 + CB_GB1_33 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 279 357 CB_GB1_33 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 279 358 - CB_GB1_33 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 279 359 - CB_GB1_33 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 279 366 - CB_GB1_33 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 279 372 + CB_GB1_33 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 279 359 + CB_GB1_33 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 279 366 + CB_GB1_33 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 279 372 CB_GB1_33 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 279 373 - CB_GB1_33 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 279 374 - CB_GB1_33 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 279 378 - CB_GB1_33 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 279 380 + CB_GB1_33 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 279 374 + CB_GB1_33 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 279 378 + CB_GB1_33 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 279 380 CB_GB1_33 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 279 381 - CB_GB1_33 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 279 382 - CB_GB1_33 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 279 392 - CB_GB1_33 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 279 393 + CB_GB1_33 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 279 382 + CB_GB1_33 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 279 392 + CB_GB1_33 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 279 393 CB_GB1_33 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 279 394 - CB_GB1_33 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 279 395 - CB_GB1_33 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 279 399 - CB_GB1_33 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 279 400 - CB_GB1_33 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 279 401 - CB_GB1_33 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 279 402 + CB_GB1_33 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 279 395 + CB_GB1_33 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 279 399 + CB_GB1_33 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 279 400 + CB_GB1_33 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 279 401 + CB_GB1_33 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 279 402 CB_GB1_33 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 279 403 - CB_GB1_33 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 279 404 - CB_GB1_33 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 279 408 - CB_GB1_33 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 279 409 - CB_GB1_33 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 279 410 - CB_GB1_33 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 279 411 + CB_GB1_33 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 279 404 + CB_GB1_33 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 279 408 + CB_GB1_33 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 279 409 + CB_GB1_33 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 279 410 + CB_GB1_33 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 279 411 CB_GB1_33 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 279 412 - CB_GB1_33 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 279 413 - CB_GB1_33 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 279 417 + CB_GB1_33 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 279 413 + CB_GB1_33 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 279 417 CB_GB1_33 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 279 418 - CB_GB1_33 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 279 419 - CB_GB1_33 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 279 423 - CB_GB1_33 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 279 425 + CB_GB1_33 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 279 419 + CB_GB1_33 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 279 423 + CB_GB1_33 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 279 425 CB_GB1_33 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 279 426 - CB_GB1_33 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 279 427 - CB_GB1_33 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 279 434 - CB_GB1_33 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 279 435 + CB_GB1_33 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 279 427 + CB_GB1_33 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 279 434 + CB_GB1_33 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 279 435 CB_GB1_33 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 279 436 - CB_GB1_33 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 279 437 - CB_GB1_33 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 279 441 - CB_GB1_33 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 279 443 + CB_GB1_33 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 279 437 + CB_GB1_33 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 279 441 + CB_GB1_33 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 279 443 CB_GB1_33 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 279 444 - CB_GB1_33 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 279 445 - CB_GB1_33 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 279 455 + CB_GB1_33 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 279 445 + CB_GB1_33 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 279 455 CB_GB1_33 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 279 456 - CB_GB1_33 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 279 457 - CB_GB1_33 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 279 461 - CB_GB1_33 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 279 463 + CB_GB1_33 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 279 457 + CB_GB1_33 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 279 461 + CB_GB1_33 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 279 463 CB_GB1_33 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 279 464 - CB_GB1_33 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 279 465 - CB_GB1_33 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 279 471 + CB_GB1_33 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 279 465 + CB_GB1_33 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 279 471 CB_GB1_33 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 279 472 - CB_GB1_33 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 279 473 - CB_GB1_33 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 279 477 - CB_GB1_33 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 279 479 + CB_GB1_33 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 279 473 + CB_GB1_33 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 279 477 + CB_GB1_33 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 279 479 CB_GB1_33 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 279 480 - CB_GB1_33 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 279 481 - CB_GB1_33 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 279 486 - CB_GB1_33 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 279 487 - CB_GB1_33 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 279 488 - CB_GB1_33 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 279 489 - CB_GB1_33 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 279 490 - CB_GB1_33 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 279 491 + CB_GB1_33 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 279 481 + CB_GB1_33 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 279 486 + CB_GB1_33 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 279 487 + CB_GB1_33 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 279 488 + CB_GB1_33 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 279 489 + CB_GB1_33 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 279 490 + CB_GB1_33 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 279 491 OH_GB1_33 H_GB1_34 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 286 290 - OH_GB1_33 CB_GB1_34 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 286 292 + OH_GB1_33 CB_GB1_34 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 286 292 OH_GB1_33 H_GB1_35 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 286 296 - OH_GB1_33 CB_GB1_35 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 286 298 + OH_GB1_33 CB_GB1_35 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 286 298 OH_GB1_33 H_GB1_36 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 286 305 - OH_GB1_33 CB_GB1_36 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 286 307 + OH_GB1_33 CB_GB1_36 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 286 307 OH_GB1_33 H_GB1_37 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 286 314 - OH_GB1_33 CB_GB1_37 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 286 316 + OH_GB1_33 CB_GB1_37 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 286 316 OH_GB1_33 H_GB1_38 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 286 323 - OH_GB1_33 CA_GB1_38 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 286 324 + OH_GB1_33 CA_GB1_38 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 286 324 OH_GB1_33 H_GB1_39 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 286 328 - OH_GB1_33 CB_GB1_39 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 286 330 - OH_GB1_33 CG1_GB1_39 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 286 331 - OH_GB1_33 CG2_GB1_39 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 286 332 + OH_GB1_33 CB_GB1_39 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 286 330 + OH_GB1_33 CG1_GB1_39 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 286 331 + OH_GB1_33 CG2_GB1_39 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 286 332 OH_GB1_33 H_GB1_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 286 336 - OH_GB1_33 CB_GB1_40 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 286 338 + OH_GB1_33 CB_GB1_40 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 286 338 OH_GB1_33 H_GB1_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 286 345 - OH_GB1_33 CA_GB1_41 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 286 346 + OH_GB1_33 CA_GB1_41 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 286 346 OH_GB1_33 H_GB1_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 286 350 - OH_GB1_33 CB_GB1_42 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 286 352 - OH_GB1_33 CG_GB1_42 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 286 353 + OH_GB1_33 CB_GB1_42 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 286 352 + OH_GB1_33 CG_GB1_42 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 286 353 OH_GB1_33 H_GB1_43 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 286 360 - OH_GB1_33 CB_GB1_43 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 286 362 + OH_GB1_33 CB_GB1_43 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 286 362 OH_GB1_33 H_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 286 375 - OH_GB1_33 CB_GB1_44 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 286 377 - OH_GB1_33 CG2_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 286 379 + OH_GB1_33 CB_GB1_44 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 286 377 + OH_GB1_33 CG2_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 286 379 OH_GB1_33 H_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 286 383 - OH_GB1_33 CB_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 286 385 + OH_GB1_33 CB_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 286 385 OH_GB1_33 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 286 396 - OH_GB1_33 CB_GB1_46 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 286 398 + OH_GB1_33 CB_GB1_46 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 286 398 OH_GB1_33 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 286 405 - OH_GB1_33 CB_GB1_47 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 286 407 + OH_GB1_33 CB_GB1_47 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 286 407 OH_GB1_33 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 286 414 - OH_GB1_33 CB_GB1_48 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 286 416 + OH_GB1_33 CB_GB1_48 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 286 416 OH_GB1_33 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 286 420 - OH_GB1_33 CB_GB1_49 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 286 422 - OH_GB1_33 CG2_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 286 424 + OH_GB1_33 CB_GB1_49 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 286 422 + OH_GB1_33 CG2_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 286 424 OH_GB1_33 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 286 428 - OH_GB1_33 CB_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 286 430 - OH_GB1_33 CG_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 286 431 - OH_GB1_33 CD_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 286 432 - OH_GB1_33 CE_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 286 433 + OH_GB1_33 CB_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 286 430 + OH_GB1_33 CG_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 286 431 + OH_GB1_33 CD_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 286 432 + OH_GB1_33 CE_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 286 433 OH_GB1_33 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 286 438 - OH_GB1_33 CB_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 286 440 - OH_GB1_33 CG2_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 286 442 + OH_GB1_33 CB_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 286 440 + OH_GB1_33 CG2_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 286 442 OH_GB1_33 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 286 446 - OH_GB1_33 CB_GB1_52 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 286 448 + OH_GB1_33 CB_GB1_52 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 286 448 OH_GB1_33 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 286 458 - OH_GB1_33 CB_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 286 460 - OH_GB1_33 CG2_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 286 462 + OH_GB1_33 CB_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 286 460 + OH_GB1_33 CG2_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 286 462 OH_GB1_33 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 286 466 - OH_GB1_33 CB_GB1_54 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 286 468 - OH_GB1_33 CG1_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 286 469 - OH_GB1_33 CG2_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 286 470 + OH_GB1_33 CB_GB1_54 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 286 468 + OH_GB1_33 CG1_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 286 469 + OH_GB1_33 CG2_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 286 470 OH_GB1_33 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 286 474 - OH_GB1_33 CB_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 286 476 - OH_GB1_33 CG2_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 286 478 + OH_GB1_33 CB_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 286 476 + OH_GB1_33 CG2_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 286 478 OH_GB1_33 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 286 482 - OH_GB1_33 CB_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 286 484 - OH_GB1_33 CG_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 286 485 - C_GB1_33 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 287 292 - C_GB1_33 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 287 298 - C_GB1_33 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 287 307 - C_GB1_33 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 287 316 - C_GB1_33 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 287 324 - C_GB1_33 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 287 330 - C_GB1_33 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 287 331 - C_GB1_33 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 287 332 - C_GB1_33 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 287 338 - C_GB1_33 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 287 346 - C_GB1_33 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 287 352 - C_GB1_33 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 287 353 - C_GB1_33 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 287 362 - C_GB1_33 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 287 377 - C_GB1_33 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 287 379 - C_GB1_33 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 287 385 - C_GB1_33 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 287 398 - C_GB1_33 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 287 407 - C_GB1_33 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 287 416 - C_GB1_33 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 287 422 - C_GB1_33 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 287 424 - C_GB1_33 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 287 430 - C_GB1_33 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 287 431 - C_GB1_33 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 287 432 - C_GB1_33 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 287 433 - C_GB1_33 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 287 440 - C_GB1_33 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 287 442 - C_GB1_33 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 287 448 - C_GB1_33 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 287 460 - C_GB1_33 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 287 462 - C_GB1_33 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 287 468 - C_GB1_33 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 287 469 - C_GB1_33 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 287 470 - C_GB1_33 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 287 476 - C_GB1_33 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 287 478 - C_GB1_33 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 287 484 - C_GB1_33 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 287 485 + OH_GB1_33 CB_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 286 484 + OH_GB1_33 CG_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 286 485 + C_GB1_33 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 287 292 + C_GB1_33 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 287 298 + C_GB1_33 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 287 307 + C_GB1_33 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 287 316 + C_GB1_33 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 287 324 + C_GB1_33 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 287 330 + C_GB1_33 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 287 331 + C_GB1_33 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 287 332 + C_GB1_33 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 287 338 + C_GB1_33 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 287 346 + C_GB1_33 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 287 352 + C_GB1_33 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 287 353 + C_GB1_33 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 287 362 + C_GB1_33 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 287 377 + C_GB1_33 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 287 379 + C_GB1_33 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 287 385 + C_GB1_33 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 287 398 + C_GB1_33 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 287 407 + C_GB1_33 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 287 416 + C_GB1_33 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 287 422 + C_GB1_33 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 287 424 + C_GB1_33 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 287 430 + C_GB1_33 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 287 431 + C_GB1_33 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 287 432 + C_GB1_33 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 287 433 + C_GB1_33 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 287 440 + C_GB1_33 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 287 442 + C_GB1_33 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 287 448 + C_GB1_33 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 287 460 + C_GB1_33 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 287 462 + C_GB1_33 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 287 468 + C_GB1_33 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 287 469 + C_GB1_33 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 287 470 + C_GB1_33 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 287 476 + C_GB1_33 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 287 478 + C_GB1_33 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 287 484 + C_GB1_33 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 287 485 O_GB1_33 O_GB1_33 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 288 288 O_GB1_33 H_GB1_34 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 288 290 O_GB1_33 CB_GB1_34 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 288 292 @@ -31139,43 +31139,43 @@ NE2_GB1_32 CG_GB1_56 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e- O_GB1_33 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 288 488 O_GB1_33 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 288 490 O_GB1_33 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 288 491 - N_GB1_34 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 289 292 - N_GB1_34 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 289 298 - N_GB1_34 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 289 307 - N_GB1_34 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 289 316 - N_GB1_34 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 289 324 - N_GB1_34 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 289 330 - N_GB1_34 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 289 331 - N_GB1_34 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 289 332 - N_GB1_34 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 289 338 - N_GB1_34 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 289 346 - N_GB1_34 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 289 352 - N_GB1_34 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 289 353 - N_GB1_34 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 289 362 - N_GB1_34 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 289 377 - N_GB1_34 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 289 379 - N_GB1_34 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 289 385 - N_GB1_34 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 289 398 - N_GB1_34 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 289 407 - N_GB1_34 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 289 416 - N_GB1_34 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 289 422 - N_GB1_34 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 289 424 - N_GB1_34 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 289 430 - N_GB1_34 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 289 431 - N_GB1_34 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 289 432 - N_GB1_34 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 289 433 - N_GB1_34 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 289 440 - N_GB1_34 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 289 442 - N_GB1_34 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 289 448 - N_GB1_34 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 289 460 - N_GB1_34 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 289 462 - N_GB1_34 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 289 468 - N_GB1_34 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 289 469 - N_GB1_34 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 289 470 - N_GB1_34 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 289 476 - N_GB1_34 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 289 478 - N_GB1_34 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 289 484 - N_GB1_34 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 289 485 + N_GB1_34 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 289 292 + N_GB1_34 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 289 298 + N_GB1_34 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 289 307 + N_GB1_34 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 289 316 + N_GB1_34 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 289 324 + N_GB1_34 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 289 330 + N_GB1_34 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 289 331 + N_GB1_34 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 289 332 + N_GB1_34 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 289 338 + N_GB1_34 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 289 346 + N_GB1_34 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 289 352 + N_GB1_34 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 289 353 + N_GB1_34 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 289 362 + N_GB1_34 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 289 377 + N_GB1_34 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 289 379 + N_GB1_34 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 289 385 + N_GB1_34 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 289 398 + N_GB1_34 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 289 407 + N_GB1_34 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 289 416 + N_GB1_34 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 289 422 + N_GB1_34 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 289 424 + N_GB1_34 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 289 430 + N_GB1_34 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 289 431 + N_GB1_34 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 289 432 + N_GB1_34 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 289 433 + N_GB1_34 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 289 440 + N_GB1_34 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 289 442 + N_GB1_34 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 289 448 + N_GB1_34 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 289 460 + N_GB1_34 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 289 462 + N_GB1_34 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 289 468 + N_GB1_34 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 289 469 + N_GB1_34 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 289 470 + N_GB1_34 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 289 476 + N_GB1_34 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 289 478 + N_GB1_34 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 289 484 + N_GB1_34 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 289 485 H_GB1_34 H_GB1_34 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 290 290 H_GB1_34 O_GB1_34 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 290 294 H_GB1_34 H_GB1_35 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 290 296 @@ -31243,143 +31243,143 @@ NE2_GB1_32 CG_GB1_56 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e- H_GB1_34 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 290 488 H_GB1_34 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 290 490 H_GB1_34 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 290 491 - CB_GB1_34 C_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 292 293 + CB_GB1_34 C_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 292 293 CB_GB1_34 O_GB1_34 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 292 294 - CB_GB1_34 N_GB1_35 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 292 295 - CB_GB1_34 CG_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 292 299 + CB_GB1_34 N_GB1_35 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 292 295 + CB_GB1_34 CG_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 292 299 CB_GB1_34 OD1_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 292 300 - CB_GB1_34 ND2_GB1_35 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 292 301 - CB_GB1_34 C_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 292 302 + CB_GB1_34 ND2_GB1_35 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 292 301 + CB_GB1_34 C_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 292 302 CB_GB1_34 O_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 292 303 - CB_GB1_34 N_GB1_36 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 292 304 - CB_GB1_34 CG_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 292 308 + CB_GB1_34 N_GB1_36 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 292 304 + CB_GB1_34 CG_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 292 308 CB_GB1_34 OD1_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 292 309 CB_GB1_34 OD2_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 292 310 - CB_GB1_34 C_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 292 311 + CB_GB1_34 C_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 292 311 CB_GB1_34 O_GB1_36 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 292 312 - CB_GB1_34 N_GB1_37 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 292 313 - CB_GB1_34 CG_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 292 317 + CB_GB1_34 N_GB1_37 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 292 313 + CB_GB1_34 CG_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 292 317 CB_GB1_34 OD1_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 292 318 - CB_GB1_34 ND2_GB1_37 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 292 319 - CB_GB1_34 C_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 292 320 + CB_GB1_34 ND2_GB1_37 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 292 319 + CB_GB1_34 C_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 292 320 CB_GB1_34 O_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 292 321 - CB_GB1_34 N_GB1_38 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 292 322 - CB_GB1_34 C_GB1_38 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 292 325 + CB_GB1_34 N_GB1_38 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 292 322 + CB_GB1_34 C_GB1_38 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 292 325 CB_GB1_34 O_GB1_38 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 292 326 - CB_GB1_34 N_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 292 327 - CB_GB1_34 C_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 292 333 + CB_GB1_34 N_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 292 327 + CB_GB1_34 C_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 292 333 CB_GB1_34 O_GB1_39 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 292 334 - CB_GB1_34 N_GB1_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 292 335 - CB_GB1_34 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 292 339 + CB_GB1_34 N_GB1_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 292 335 + CB_GB1_34 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 292 339 CB_GB1_34 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 292 340 CB_GB1_34 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 292 341 - CB_GB1_34 C_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 292 342 + CB_GB1_34 C_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 292 342 CB_GB1_34 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 292 343 - CB_GB1_34 N_GB1_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 292 344 - CB_GB1_34 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 292 347 + CB_GB1_34 N_GB1_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 292 344 + CB_GB1_34 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 292 347 CB_GB1_34 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 292 348 - CB_GB1_34 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 292 349 - CB_GB1_34 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 292 354 + CB_GB1_34 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 292 349 + CB_GB1_34 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 292 354 CB_GB1_34 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 292 355 CB_GB1_34 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 292 356 - CB_GB1_34 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 292 357 + CB_GB1_34 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 292 357 CB_GB1_34 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 292 358 - CB_GB1_34 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 292 359 - CB_GB1_34 NE1_GB1_43 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.0 1.0 1.0 1.0 False mg 7 292 366 - CB_GB1_34 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 292 372 + CB_GB1_34 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 292 359 + CB_GB1_34 NE1_GB1_43 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.0 1.0 1.0 1.0 False mg 7 292 366 + CB_GB1_34 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 292 372 CB_GB1_34 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 292 373 - CB_GB1_34 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 292 374 - CB_GB1_34 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 292 378 - CB_GB1_34 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 292 380 + CB_GB1_34 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 292 374 + CB_GB1_34 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 292 378 + CB_GB1_34 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 292 380 CB_GB1_34 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 292 381 - CB_GB1_34 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 292 382 - CB_GB1_34 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 292 392 - CB_GB1_34 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 292 393 + CB_GB1_34 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 292 382 + CB_GB1_34 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 292 392 + CB_GB1_34 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 292 393 CB_GB1_34 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 292 394 - CB_GB1_34 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 292 395 - CB_GB1_34 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 292 399 + CB_GB1_34 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 292 395 + CB_GB1_34 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 292 399 CB_GB1_34 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 292 400 CB_GB1_34 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 292 401 - CB_GB1_34 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 292 402 + CB_GB1_34 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 292 402 CB_GB1_34 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 292 403 - CB_GB1_34 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 292 404 - CB_GB1_34 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 292 408 + CB_GB1_34 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 292 404 + CB_GB1_34 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 292 408 CB_GB1_34 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 292 409 CB_GB1_34 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 292 410 - CB_GB1_34 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 292 411 + CB_GB1_34 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 292 411 CB_GB1_34 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 292 412 - CB_GB1_34 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 292 413 - CB_GB1_34 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 292 417 + CB_GB1_34 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 292 413 + CB_GB1_34 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 292 417 CB_GB1_34 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 292 418 - CB_GB1_34 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 292 419 - CB_GB1_34 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 292 423 - CB_GB1_34 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 292 425 + CB_GB1_34 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 292 419 + CB_GB1_34 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 292 423 + CB_GB1_34 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 292 425 CB_GB1_34 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 292 426 - CB_GB1_34 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 292 427 - CB_GB1_34 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 292 434 - CB_GB1_34 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 292 435 + CB_GB1_34 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 292 427 + CB_GB1_34 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 292 434 + CB_GB1_34 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 292 435 CB_GB1_34 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 292 436 - CB_GB1_34 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 292 437 - CB_GB1_34 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 292 441 - CB_GB1_34 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 292 443 + CB_GB1_34 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 292 437 + CB_GB1_34 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 292 441 + CB_GB1_34 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 292 443 CB_GB1_34 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 292 444 - CB_GB1_34 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 292 445 - CB_GB1_34 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 292 455 + CB_GB1_34 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 292 445 + CB_GB1_34 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 292 455 CB_GB1_34 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 292 456 - CB_GB1_34 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 292 457 - CB_GB1_34 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 292 461 - CB_GB1_34 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 292 463 + CB_GB1_34 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 292 457 + CB_GB1_34 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 292 461 + CB_GB1_34 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 292 463 CB_GB1_34 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 292 464 - CB_GB1_34 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 292 465 - CB_GB1_34 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 292 471 + CB_GB1_34 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 292 465 + CB_GB1_34 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 292 471 CB_GB1_34 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 292 472 - CB_GB1_34 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 292 473 - CB_GB1_34 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 292 477 - CB_GB1_34 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 292 479 + CB_GB1_34 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 292 473 + CB_GB1_34 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 292 477 + CB_GB1_34 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 292 479 CB_GB1_34 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 292 480 - CB_GB1_34 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 292 481 - CB_GB1_34 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 292 486 + CB_GB1_34 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 292 481 + CB_GB1_34 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 292 486 CB_GB1_34 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 292 487 CB_GB1_34 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 292 488 - CB_GB1_34 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 292 489 + CB_GB1_34 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 292 489 CB_GB1_34 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 292 490 CB_GB1_34 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 292 491 - C_GB1_34 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 293 298 - C_GB1_34 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 293 307 - C_GB1_34 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 293 316 - C_GB1_34 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 293 324 - C_GB1_34 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 293 330 - C_GB1_34 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 293 331 - C_GB1_34 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 293 332 - C_GB1_34 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 293 338 - C_GB1_34 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 293 346 - C_GB1_34 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 293 352 - C_GB1_34 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 293 353 - C_GB1_34 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 293 362 - C_GB1_34 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 293 377 - C_GB1_34 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 293 379 - C_GB1_34 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 293 385 - C_GB1_34 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 293 398 - C_GB1_34 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 293 407 - C_GB1_34 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 293 416 - C_GB1_34 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 293 422 - C_GB1_34 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 293 424 - C_GB1_34 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 293 430 - C_GB1_34 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 293 431 - C_GB1_34 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 293 432 - C_GB1_34 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 293 433 - C_GB1_34 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 293 440 - C_GB1_34 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 293 442 - C_GB1_34 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 293 448 - C_GB1_34 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 293 460 - C_GB1_34 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 293 462 - C_GB1_34 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 293 468 - C_GB1_34 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 293 469 - C_GB1_34 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 293 470 - C_GB1_34 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 293 476 - C_GB1_34 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 293 478 - C_GB1_34 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 293 484 - C_GB1_34 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 293 485 + C_GB1_34 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 293 298 + C_GB1_34 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 293 307 + C_GB1_34 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 293 316 + C_GB1_34 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 293 324 + C_GB1_34 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 293 330 + C_GB1_34 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 293 331 + C_GB1_34 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 293 332 + C_GB1_34 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 293 338 + C_GB1_34 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 293 346 + C_GB1_34 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 293 352 + C_GB1_34 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 293 353 + C_GB1_34 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 293 362 + C_GB1_34 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 293 377 + C_GB1_34 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 293 379 + C_GB1_34 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 293 385 + C_GB1_34 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 293 398 + C_GB1_34 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 293 407 + C_GB1_34 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 293 416 + C_GB1_34 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 293 422 + C_GB1_34 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 293 424 + C_GB1_34 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 293 430 + C_GB1_34 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 293 431 + C_GB1_34 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 293 432 + C_GB1_34 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 293 433 + C_GB1_34 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 293 440 + C_GB1_34 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 293 442 + C_GB1_34 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 293 448 + C_GB1_34 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 293 460 + C_GB1_34 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 293 462 + C_GB1_34 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 293 468 + C_GB1_34 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 293 469 + C_GB1_34 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 293 470 + C_GB1_34 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 293 476 + C_GB1_34 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 293 478 + C_GB1_34 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 293 484 + C_GB1_34 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 293 485 O_GB1_34 O_GB1_34 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 294 294 O_GB1_34 H_GB1_35 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 294 296 O_GB1_34 CB_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 294 298 @@ -31476,42 +31476,42 @@ NE2_GB1_32 CG_GB1_56 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e- O_GB1_34 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 294 488 O_GB1_34 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 294 490 O_GB1_34 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 294 491 - N_GB1_35 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 295 298 - N_GB1_35 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 295 307 - N_GB1_35 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 295 316 - N_GB1_35 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 295 324 - N_GB1_35 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 295 330 - N_GB1_35 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 295 331 - N_GB1_35 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 295 332 - N_GB1_35 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 295 338 - N_GB1_35 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 295 346 - N_GB1_35 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 295 352 - N_GB1_35 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 295 353 - N_GB1_35 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 295 362 - N_GB1_35 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 295 377 - N_GB1_35 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 295 379 - N_GB1_35 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 295 385 - N_GB1_35 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 295 398 - N_GB1_35 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 295 407 - N_GB1_35 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 295 416 - N_GB1_35 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 295 422 - N_GB1_35 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 295 424 - N_GB1_35 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 295 430 - N_GB1_35 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 295 431 - N_GB1_35 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 295 432 - N_GB1_35 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 295 433 - N_GB1_35 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 295 440 - N_GB1_35 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 295 442 - N_GB1_35 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 295 448 - N_GB1_35 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 295 460 - N_GB1_35 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 295 462 - N_GB1_35 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 295 468 - N_GB1_35 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 295 469 - N_GB1_35 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 295 470 - N_GB1_35 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 295 476 - N_GB1_35 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 295 478 - N_GB1_35 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 295 484 - N_GB1_35 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 295 485 + N_GB1_35 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 295 298 + N_GB1_35 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 295 307 + N_GB1_35 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 295 316 + N_GB1_35 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 295 324 + N_GB1_35 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 295 330 + N_GB1_35 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 295 331 + N_GB1_35 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 295 332 + N_GB1_35 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 295 338 + N_GB1_35 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 295 346 + N_GB1_35 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 295 352 + N_GB1_35 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 295 353 + N_GB1_35 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 295 362 + N_GB1_35 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 295 377 + N_GB1_35 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 295 379 + N_GB1_35 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 295 385 + N_GB1_35 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 295 398 + N_GB1_35 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 295 407 + N_GB1_35 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 295 416 + N_GB1_35 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 295 422 + N_GB1_35 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 295 424 + N_GB1_35 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 295 430 + N_GB1_35 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 295 431 + N_GB1_35 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 295 432 + N_GB1_35 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 295 433 + N_GB1_35 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 295 440 + N_GB1_35 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 295 442 + N_GB1_35 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 295 448 + N_GB1_35 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 295 460 + N_GB1_35 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 295 462 + N_GB1_35 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 295 468 + N_GB1_35 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 295 469 + N_GB1_35 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 295 470 + N_GB1_35 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 295 476 + N_GB1_35 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 295 478 + N_GB1_35 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 295 484 + N_GB1_35 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 295 485 H_GB1_35 H_GB1_35 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 296 296 H_GB1_35 OD1_GB1_35 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 296 300 H_GB1_35 O_GB1_35 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 296 303 @@ -31577,139 +31577,139 @@ NE2_GB1_32 CG_GB1_56 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e- H_GB1_35 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 296 488 H_GB1_35 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 296 490 H_GB1_35 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 296 491 - CB_GB1_35 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 298 299 + CB_GB1_35 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 298 299 CB_GB1_35 OD1_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 298 300 - CB_GB1_35 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 298 301 - CB_GB1_35 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 298 302 + CB_GB1_35 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 298 301 + CB_GB1_35 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 298 302 CB_GB1_35 O_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 298 303 - CB_GB1_35 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 298 304 - CB_GB1_35 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 298 308 - CB_GB1_35 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 298 309 - CB_GB1_35 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 298 310 - CB_GB1_35 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 298 311 + CB_GB1_35 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 298 304 + CB_GB1_35 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 298 308 + CB_GB1_35 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 298 309 + CB_GB1_35 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 298 310 + CB_GB1_35 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 298 311 CB_GB1_35 O_GB1_36 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 298 312 - CB_GB1_35 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 298 313 - CB_GB1_35 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 298 317 + CB_GB1_35 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 298 313 + CB_GB1_35 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 298 317 CB_GB1_35 OD1_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 298 318 - CB_GB1_35 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 298 319 - CB_GB1_35 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 298 320 + CB_GB1_35 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 298 319 + CB_GB1_35 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 298 320 CB_GB1_35 O_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 298 321 - CB_GB1_35 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 298 322 - CB_GB1_35 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 298 325 + CB_GB1_35 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 298 322 + CB_GB1_35 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 298 325 CB_GB1_35 O_GB1_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 298 326 - CB_GB1_35 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 298 327 - CB_GB1_35 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 298 333 + CB_GB1_35 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 298 327 + CB_GB1_35 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 298 333 CB_GB1_35 O_GB1_39 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 298 334 - CB_GB1_35 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 298 335 - CB_GB1_35 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 298 339 - CB_GB1_35 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 298 340 - CB_GB1_35 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 298 341 - CB_GB1_35 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 298 342 + CB_GB1_35 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 298 335 + CB_GB1_35 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 298 339 + CB_GB1_35 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 298 340 + CB_GB1_35 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 298 341 + CB_GB1_35 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 298 342 CB_GB1_35 O_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 298 343 - CB_GB1_35 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 298 344 - CB_GB1_35 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 298 347 + CB_GB1_35 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 298 344 + CB_GB1_35 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 298 347 CB_GB1_35 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 298 348 - CB_GB1_35 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 298 349 - CB_GB1_35 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 298 354 - CB_GB1_35 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 298 355 - CB_GB1_35 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 298 356 - CB_GB1_35 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 298 357 + CB_GB1_35 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 298 349 + CB_GB1_35 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 298 354 + CB_GB1_35 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 298 355 + CB_GB1_35 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 298 356 + CB_GB1_35 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 298 357 CB_GB1_35 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 298 358 - CB_GB1_35 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 298 359 - CB_GB1_35 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 298 366 - CB_GB1_35 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 298 372 + CB_GB1_35 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 298 359 + CB_GB1_35 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 298 366 + CB_GB1_35 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 298 372 CB_GB1_35 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 298 373 - CB_GB1_35 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 298 374 - CB_GB1_35 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 298 378 - CB_GB1_35 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 298 380 + CB_GB1_35 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 298 374 + CB_GB1_35 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 298 378 + CB_GB1_35 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 298 380 CB_GB1_35 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 298 381 - CB_GB1_35 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 298 382 - CB_GB1_35 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 298 392 - CB_GB1_35 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 298 393 + CB_GB1_35 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 298 382 + CB_GB1_35 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 298 392 + CB_GB1_35 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 298 393 CB_GB1_35 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 298 394 - CB_GB1_35 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 298 395 - CB_GB1_35 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 298 399 - CB_GB1_35 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 298 400 - CB_GB1_35 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 298 401 - CB_GB1_35 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 298 402 + CB_GB1_35 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 298 395 + CB_GB1_35 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 298 399 + CB_GB1_35 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 298 400 + CB_GB1_35 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 298 401 + CB_GB1_35 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 298 402 CB_GB1_35 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 298 403 - CB_GB1_35 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 298 404 - CB_GB1_35 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 298 408 - CB_GB1_35 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 298 409 - CB_GB1_35 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 298 410 - CB_GB1_35 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 298 411 + CB_GB1_35 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 298 404 + CB_GB1_35 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 298 408 + CB_GB1_35 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 298 409 + CB_GB1_35 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 298 410 + CB_GB1_35 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 298 411 CB_GB1_35 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 298 412 - CB_GB1_35 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 298 413 - CB_GB1_35 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 298 417 + CB_GB1_35 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 298 413 + CB_GB1_35 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 298 417 CB_GB1_35 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 298 418 - CB_GB1_35 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 298 419 - CB_GB1_35 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 298 423 - CB_GB1_35 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 298 425 + CB_GB1_35 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 298 419 + CB_GB1_35 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 298 423 + CB_GB1_35 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 298 425 CB_GB1_35 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 298 426 - CB_GB1_35 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 298 427 - CB_GB1_35 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 298 434 - CB_GB1_35 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 298 435 + CB_GB1_35 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 298 427 + CB_GB1_35 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 298 434 + CB_GB1_35 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 298 435 CB_GB1_35 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 298 436 - CB_GB1_35 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 298 437 - CB_GB1_35 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 298 441 - CB_GB1_35 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 298 443 + CB_GB1_35 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 298 437 + CB_GB1_35 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 298 441 + CB_GB1_35 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 298 443 CB_GB1_35 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 298 444 - CB_GB1_35 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 298 445 - CB_GB1_35 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 298 455 + CB_GB1_35 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 298 445 + CB_GB1_35 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 298 455 CB_GB1_35 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 298 456 - CB_GB1_35 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 298 457 - CB_GB1_35 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 298 461 - CB_GB1_35 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 298 463 + CB_GB1_35 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 298 457 + CB_GB1_35 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 298 461 + CB_GB1_35 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 298 463 CB_GB1_35 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 298 464 - CB_GB1_35 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 298 465 - CB_GB1_35 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 298 471 + CB_GB1_35 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 298 465 + CB_GB1_35 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 298 471 CB_GB1_35 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 298 472 - CB_GB1_35 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 298 473 - CB_GB1_35 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 298 477 - CB_GB1_35 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 298 479 + CB_GB1_35 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 298 473 + CB_GB1_35 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 298 477 + CB_GB1_35 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 298 479 CB_GB1_35 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 298 480 - CB_GB1_35 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 298 481 - CB_GB1_35 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 298 486 - CB_GB1_35 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 298 487 - CB_GB1_35 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 298 488 - CB_GB1_35 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 298 489 - CB_GB1_35 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 298 490 - CB_GB1_35 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 298 491 - CG_GB1_35 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 299 307 - CG_GB1_35 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 299 316 - CG_GB1_35 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 299 324 - CG_GB1_35 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 299 330 - CG_GB1_35 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 299 331 - CG_GB1_35 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 299 332 - CG_GB1_35 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 299 338 - CG_GB1_35 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 299 346 - CG_GB1_35 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 299 352 - CG_GB1_35 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 299 353 - CG_GB1_35 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 299 362 - CG_GB1_35 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 299 377 - CG_GB1_35 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 299 379 - CG_GB1_35 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 299 385 - CG_GB1_35 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 299 398 - CG_GB1_35 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 299 407 - CG_GB1_35 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 299 416 - CG_GB1_35 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 299 422 - CG_GB1_35 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 299 424 - CG_GB1_35 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 299 430 - CG_GB1_35 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 299 431 - CG_GB1_35 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 299 432 - CG_GB1_35 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 299 433 - CG_GB1_35 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 299 440 - CG_GB1_35 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 299 442 - CG_GB1_35 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 299 448 - CG_GB1_35 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 299 460 - CG_GB1_35 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 299 462 - CG_GB1_35 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 299 468 - CG_GB1_35 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 299 469 - CG_GB1_35 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 299 470 - CG_GB1_35 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 299 476 - CG_GB1_35 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 299 478 - CG_GB1_35 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 299 484 - CG_GB1_35 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 299 485 + CB_GB1_35 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 298 481 + CB_GB1_35 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 298 486 + CB_GB1_35 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 298 487 + CB_GB1_35 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 298 488 + CB_GB1_35 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 298 489 + CB_GB1_35 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 298 490 + CB_GB1_35 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 298 491 + CG_GB1_35 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 299 307 + CG_GB1_35 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 299 316 + CG_GB1_35 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 299 324 + CG_GB1_35 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 299 330 + CG_GB1_35 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 299 331 + CG_GB1_35 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 299 332 + CG_GB1_35 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 299 338 + CG_GB1_35 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 299 346 + CG_GB1_35 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 299 352 + CG_GB1_35 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 299 353 + CG_GB1_35 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 299 362 + CG_GB1_35 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 299 377 + CG_GB1_35 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 299 379 + CG_GB1_35 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 299 385 + CG_GB1_35 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 299 398 + CG_GB1_35 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 299 407 + CG_GB1_35 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 299 416 + CG_GB1_35 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 299 422 + CG_GB1_35 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 299 424 + CG_GB1_35 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 299 430 + CG_GB1_35 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 299 431 + CG_GB1_35 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 299 432 + CG_GB1_35 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 299 433 + CG_GB1_35 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 299 440 + CG_GB1_35 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 299 442 + CG_GB1_35 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 299 448 + CG_GB1_35 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 299 460 + CG_GB1_35 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 299 462 + CG_GB1_35 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 299 468 + CG_GB1_35 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 299 469 + CG_GB1_35 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 299 470 + CG_GB1_35 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 299 476 + CG_GB1_35 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 299 478 + CG_GB1_35 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 299 484 + CG_GB1_35 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 299 485 OD1_GB1_35 OD1_GB1_35 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 300 300 OD1_GB1_35 O_GB1_35 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 300 303 OD1_GB1_35 H_GB1_36 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 300 305 @@ -31803,76 +31803,76 @@ OD1_GB1_35 OE1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- OD1_GB1_35 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 300 488 OD1_GB1_35 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 300 490 OD1_GB1_35 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 300 491 -ND2_GB1_35 CB_GB1_36 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 301 307 -ND2_GB1_35 CB_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 301 316 -ND2_GB1_35 CA_GB1_38 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 301 324 -ND2_GB1_35 CB_GB1_39 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 301 330 -ND2_GB1_35 CG1_GB1_39 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 301 331 -ND2_GB1_35 CG2_GB1_39 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 301 332 -ND2_GB1_35 CB_GB1_40 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 301 338 -ND2_GB1_35 CA_GB1_41 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 301 346 -ND2_GB1_35 CB_GB1_42 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 301 352 -ND2_GB1_35 CG_GB1_42 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 301 353 -ND2_GB1_35 CB_GB1_43 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 301 362 -ND2_GB1_35 CB_GB1_44 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 301 377 -ND2_GB1_35 CG2_GB1_44 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 301 379 -ND2_GB1_35 CB_GB1_45 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 301 385 -ND2_GB1_35 CB_GB1_46 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 301 398 -ND2_GB1_35 CB_GB1_47 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 301 407 -ND2_GB1_35 CB_GB1_48 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 301 416 -ND2_GB1_35 CB_GB1_49 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 301 422 -ND2_GB1_35 CG2_GB1_49 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 301 424 -ND2_GB1_35 CB_GB1_50 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 301 430 -ND2_GB1_35 CG_GB1_50 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 301 431 -ND2_GB1_35 CD_GB1_50 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 301 432 -ND2_GB1_35 CE_GB1_50 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 301 433 -ND2_GB1_35 CB_GB1_51 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 301 440 -ND2_GB1_35 CG2_GB1_51 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 301 442 -ND2_GB1_35 CB_GB1_52 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 301 448 -ND2_GB1_35 CB_GB1_53 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 301 460 -ND2_GB1_35 CG2_GB1_53 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 301 462 -ND2_GB1_35 CB_GB1_54 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 301 468 -ND2_GB1_35 CG1_GB1_54 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 301 469 -ND2_GB1_35 CG2_GB1_54 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 301 470 -ND2_GB1_35 CB_GB1_55 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 301 476 -ND2_GB1_35 CG2_GB1_55 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 301 478 -ND2_GB1_35 CB_GB1_56 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 301 484 -ND2_GB1_35 CG_GB1_56 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 301 485 - C_GB1_35 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 302 307 - C_GB1_35 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 302 316 - C_GB1_35 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 302 324 - C_GB1_35 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 302 330 - C_GB1_35 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 302 331 - C_GB1_35 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 302 332 - C_GB1_35 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 302 338 - C_GB1_35 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 302 346 - C_GB1_35 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 302 352 - C_GB1_35 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 302 353 - C_GB1_35 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 302 362 - C_GB1_35 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 302 377 - C_GB1_35 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 302 379 - C_GB1_35 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 302 385 - C_GB1_35 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 302 398 - C_GB1_35 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 302 407 - C_GB1_35 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 302 416 - C_GB1_35 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 302 422 - C_GB1_35 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 302 424 - C_GB1_35 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 302 430 - C_GB1_35 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 302 431 - C_GB1_35 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 302 432 - C_GB1_35 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 302 433 - C_GB1_35 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 302 440 - C_GB1_35 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 302 442 - C_GB1_35 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 302 448 - C_GB1_35 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 302 460 - C_GB1_35 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 302 462 - C_GB1_35 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 302 468 - C_GB1_35 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 302 469 - C_GB1_35 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 302 470 - C_GB1_35 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 302 476 - C_GB1_35 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 302 478 - C_GB1_35 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 302 484 - C_GB1_35 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 302 485 +ND2_GB1_35 CB_GB1_36 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 301 307 +ND2_GB1_35 CB_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 301 316 +ND2_GB1_35 CA_GB1_38 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 301 324 +ND2_GB1_35 CB_GB1_39 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 301 330 +ND2_GB1_35 CG1_GB1_39 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 301 331 +ND2_GB1_35 CG2_GB1_39 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 301 332 +ND2_GB1_35 CB_GB1_40 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 301 338 +ND2_GB1_35 CA_GB1_41 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 301 346 +ND2_GB1_35 CB_GB1_42 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 301 352 +ND2_GB1_35 CG_GB1_42 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 301 353 +ND2_GB1_35 CB_GB1_43 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 301 362 +ND2_GB1_35 CB_GB1_44 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 301 377 +ND2_GB1_35 CG2_GB1_44 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 301 379 +ND2_GB1_35 CB_GB1_45 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 301 385 +ND2_GB1_35 CB_GB1_46 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 301 398 +ND2_GB1_35 CB_GB1_47 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 301 407 +ND2_GB1_35 CB_GB1_48 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 301 416 +ND2_GB1_35 CB_GB1_49 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 301 422 +ND2_GB1_35 CG2_GB1_49 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 301 424 +ND2_GB1_35 CB_GB1_50 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 301 430 +ND2_GB1_35 CG_GB1_50 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 301 431 +ND2_GB1_35 CD_GB1_50 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 301 432 +ND2_GB1_35 CE_GB1_50 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 301 433 +ND2_GB1_35 CB_GB1_51 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 301 440 +ND2_GB1_35 CG2_GB1_51 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 301 442 +ND2_GB1_35 CB_GB1_52 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 301 448 +ND2_GB1_35 CB_GB1_53 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 301 460 +ND2_GB1_35 CG2_GB1_53 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 301 462 +ND2_GB1_35 CB_GB1_54 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 301 468 +ND2_GB1_35 CG1_GB1_54 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 301 469 +ND2_GB1_35 CG2_GB1_54 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 301 470 +ND2_GB1_35 CB_GB1_55 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 301 476 +ND2_GB1_35 CG2_GB1_55 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 301 478 +ND2_GB1_35 CB_GB1_56 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 301 484 +ND2_GB1_35 CG_GB1_56 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 301 485 + C_GB1_35 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 302 307 + C_GB1_35 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 302 316 + C_GB1_35 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 302 324 + C_GB1_35 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 302 330 + C_GB1_35 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 302 331 + C_GB1_35 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 302 332 + C_GB1_35 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 302 338 + C_GB1_35 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 302 346 + C_GB1_35 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 302 352 + C_GB1_35 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 302 353 + C_GB1_35 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 302 362 + C_GB1_35 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 302 377 + C_GB1_35 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 302 379 + C_GB1_35 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 302 385 + C_GB1_35 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 302 398 + C_GB1_35 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 302 407 + C_GB1_35 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 302 416 + C_GB1_35 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 302 422 + C_GB1_35 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 302 424 + C_GB1_35 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 302 430 + C_GB1_35 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 302 431 + C_GB1_35 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 302 432 + C_GB1_35 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 302 433 + C_GB1_35 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 302 440 + C_GB1_35 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 302 442 + C_GB1_35 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 302 448 + C_GB1_35 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 302 460 + C_GB1_35 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 302 462 + C_GB1_35 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 302 468 + C_GB1_35 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 302 469 + C_GB1_35 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 302 470 + C_GB1_35 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 302 476 + C_GB1_35 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 302 478 + C_GB1_35 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 302 484 + C_GB1_35 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 302 485 O_GB1_35 O_GB1_35 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 303 303 O_GB1_35 H_GB1_36 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 303 305 O_GB1_35 CB_GB1_36 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 303 307 @@ -31965,41 +31965,41 @@ ND2_GB1_35 CG_GB1_56 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e- O_GB1_35 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 303 488 O_GB1_35 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 303 490 O_GB1_35 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 303 491 - N_GB1_36 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 304 307 - N_GB1_36 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 304 316 - N_GB1_36 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 304 324 - N_GB1_36 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 304 330 - N_GB1_36 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 304 331 - N_GB1_36 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 304 332 - N_GB1_36 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 304 338 - N_GB1_36 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 304 346 - N_GB1_36 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 304 352 - N_GB1_36 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 304 353 - N_GB1_36 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 304 362 - N_GB1_36 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 304 377 - N_GB1_36 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 304 379 - N_GB1_36 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 304 385 - N_GB1_36 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 304 398 - N_GB1_36 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 304 407 - N_GB1_36 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 304 416 - N_GB1_36 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 304 422 - N_GB1_36 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 304 424 - N_GB1_36 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 304 430 - N_GB1_36 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 304 431 - N_GB1_36 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 304 432 - N_GB1_36 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 304 433 - N_GB1_36 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 304 440 - N_GB1_36 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 304 442 - N_GB1_36 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 304 448 - N_GB1_36 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 304 460 - N_GB1_36 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 304 462 - N_GB1_36 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 304 468 - N_GB1_36 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 304 469 - N_GB1_36 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 304 470 - N_GB1_36 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 304 476 - N_GB1_36 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 304 478 - N_GB1_36 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 304 484 - N_GB1_36 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 304 485 + N_GB1_36 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 304 307 + N_GB1_36 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 304 316 + N_GB1_36 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 304 324 + N_GB1_36 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 304 330 + N_GB1_36 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 304 331 + N_GB1_36 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 304 332 + N_GB1_36 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 304 338 + N_GB1_36 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 304 346 + N_GB1_36 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 304 352 + N_GB1_36 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 304 353 + N_GB1_36 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 304 362 + N_GB1_36 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 304 377 + N_GB1_36 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 304 379 + N_GB1_36 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 304 385 + N_GB1_36 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 304 398 + N_GB1_36 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 304 407 + N_GB1_36 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 304 416 + N_GB1_36 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 304 422 + N_GB1_36 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 304 424 + N_GB1_36 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 304 430 + N_GB1_36 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 304 431 + N_GB1_36 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 304 432 + N_GB1_36 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 304 433 + N_GB1_36 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 304 440 + N_GB1_36 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 304 442 + N_GB1_36 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 304 448 + N_GB1_36 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 304 460 + N_GB1_36 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 304 462 + N_GB1_36 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 304 468 + N_GB1_36 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 304 469 + N_GB1_36 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 304 470 + N_GB1_36 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 304 476 + N_GB1_36 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 304 478 + N_GB1_36 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 304 484 + N_GB1_36 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 304 485 H_GB1_36 H_GB1_36 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 305 305 H_GB1_36 OD1_GB1_36 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 305 309 H_GB1_36 OD2_GB1_36 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 305 310 @@ -32062,178 +32062,178 @@ ND2_GB1_35 CG_GB1_56 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e- H_GB1_36 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 305 488 H_GB1_36 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 305 490 H_GB1_36 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 305 491 - CB_GB1_36 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 307 308 - CB_GB1_36 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 307 309 - CB_GB1_36 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 307 310 - CB_GB1_36 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 307 311 + CB_GB1_36 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 307 308 + CB_GB1_36 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 307 309 + CB_GB1_36 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 307 310 + CB_GB1_36 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 307 311 CB_GB1_36 O_GB1_36 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 307 312 - CB_GB1_36 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 307 313 - CB_GB1_36 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 307 317 + CB_GB1_36 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 307 313 + CB_GB1_36 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 307 317 CB_GB1_36 OD1_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 307 318 - CB_GB1_36 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 307 319 - CB_GB1_36 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 307 320 + CB_GB1_36 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 307 319 + CB_GB1_36 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 307 320 CB_GB1_36 O_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 307 321 - CB_GB1_36 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 307 322 - CB_GB1_36 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 307 325 + CB_GB1_36 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 307 322 + CB_GB1_36 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 307 325 CB_GB1_36 O_GB1_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 307 326 - CB_GB1_36 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 307 327 - CB_GB1_36 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 307 333 + CB_GB1_36 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 307 327 + CB_GB1_36 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 307 333 CB_GB1_36 O_GB1_39 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 307 334 - CB_GB1_36 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 307 335 - CB_GB1_36 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 307 339 - CB_GB1_36 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 307 340 - CB_GB1_36 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 307 341 - CB_GB1_36 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 307 342 + CB_GB1_36 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 307 335 + CB_GB1_36 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 307 339 + CB_GB1_36 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 307 340 + CB_GB1_36 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 307 341 + CB_GB1_36 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 307 342 CB_GB1_36 O_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 307 343 - CB_GB1_36 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 307 344 - CB_GB1_36 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 307 347 + CB_GB1_36 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 307 344 + CB_GB1_36 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 307 347 CB_GB1_36 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 307 348 - CB_GB1_36 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 307 349 - CB_GB1_36 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 307 354 - CB_GB1_36 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 307 355 - CB_GB1_36 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 307 356 - CB_GB1_36 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 307 357 + CB_GB1_36 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 307 349 + CB_GB1_36 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 307 354 + CB_GB1_36 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 307 355 + CB_GB1_36 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 307 356 + CB_GB1_36 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 307 357 CB_GB1_36 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 307 358 - CB_GB1_36 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 307 359 - CB_GB1_36 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 307 366 - CB_GB1_36 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 307 372 + CB_GB1_36 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 307 359 + CB_GB1_36 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 307 366 + CB_GB1_36 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 307 372 CB_GB1_36 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 307 373 - CB_GB1_36 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 307 374 - CB_GB1_36 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 307 378 - CB_GB1_36 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 307 380 + CB_GB1_36 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 307 374 + CB_GB1_36 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 307 378 + CB_GB1_36 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 307 380 CB_GB1_36 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 307 381 - CB_GB1_36 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 307 382 - CB_GB1_36 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 307 392 - CB_GB1_36 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 307 393 + CB_GB1_36 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 307 382 + CB_GB1_36 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 307 392 + CB_GB1_36 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 307 393 CB_GB1_36 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 307 394 - CB_GB1_36 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 307 395 - CB_GB1_36 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 307 399 - CB_GB1_36 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 307 400 - CB_GB1_36 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 307 401 - CB_GB1_36 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 307 402 + CB_GB1_36 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 307 395 + CB_GB1_36 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 307 399 + CB_GB1_36 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 307 400 + CB_GB1_36 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 307 401 + CB_GB1_36 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 307 402 CB_GB1_36 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 307 403 - CB_GB1_36 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 307 404 - CB_GB1_36 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 307 408 - CB_GB1_36 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 307 409 - CB_GB1_36 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 307 410 - CB_GB1_36 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 307 411 + CB_GB1_36 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 307 404 + CB_GB1_36 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 307 408 + CB_GB1_36 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 307 409 + CB_GB1_36 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 307 410 + CB_GB1_36 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 307 411 CB_GB1_36 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 307 412 - CB_GB1_36 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 307 413 - CB_GB1_36 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 307 417 + CB_GB1_36 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 307 413 + CB_GB1_36 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 307 417 CB_GB1_36 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 307 418 - CB_GB1_36 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 307 419 - CB_GB1_36 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 307 423 - CB_GB1_36 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 307 425 + CB_GB1_36 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 307 419 + CB_GB1_36 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 307 423 + CB_GB1_36 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 307 425 CB_GB1_36 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 307 426 - CB_GB1_36 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 307 427 - CB_GB1_36 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 307 434 - CB_GB1_36 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 307 435 + CB_GB1_36 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 307 427 + CB_GB1_36 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 307 434 + CB_GB1_36 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 307 435 CB_GB1_36 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 307 436 - CB_GB1_36 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 307 437 - CB_GB1_36 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 307 441 - CB_GB1_36 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 307 443 + CB_GB1_36 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 307 437 + CB_GB1_36 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 307 441 + CB_GB1_36 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 307 443 CB_GB1_36 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 307 444 - CB_GB1_36 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 307 445 - CB_GB1_36 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 307 455 + CB_GB1_36 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 307 445 + CB_GB1_36 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 307 455 CB_GB1_36 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 307 456 - CB_GB1_36 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 307 457 - CB_GB1_36 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 307 461 - CB_GB1_36 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 307 463 + CB_GB1_36 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 307 457 + CB_GB1_36 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 307 461 + CB_GB1_36 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 307 463 CB_GB1_36 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 307 464 - CB_GB1_36 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 307 465 - CB_GB1_36 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 307 471 + CB_GB1_36 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 307 465 + CB_GB1_36 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 307 471 CB_GB1_36 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 307 472 - CB_GB1_36 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 307 473 - CB_GB1_36 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 307 477 - CB_GB1_36 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 307 479 + CB_GB1_36 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 307 473 + CB_GB1_36 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 307 477 + CB_GB1_36 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 307 479 CB_GB1_36 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 307 480 - CB_GB1_36 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 307 481 - CB_GB1_36 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 307 486 - CB_GB1_36 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 307 487 - CB_GB1_36 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 307 488 - CB_GB1_36 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 307 489 - CB_GB1_36 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 307 490 - CB_GB1_36 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 307 491 - CG_GB1_36 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 308 316 - CG_GB1_36 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 308 324 - CG_GB1_36 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 308 330 - CG_GB1_36 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 308 331 - CG_GB1_36 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 308 332 - CG_GB1_36 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 308 338 - CG_GB1_36 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 308 346 - CG_GB1_36 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 308 352 - CG_GB1_36 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 308 353 - CG_GB1_36 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 308 362 - CG_GB1_36 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 308 377 - CG_GB1_36 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 308 379 - CG_GB1_36 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 308 385 - CG_GB1_36 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 308 398 - CG_GB1_36 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 308 407 - CG_GB1_36 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 308 416 - CG_GB1_36 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 308 422 - CG_GB1_36 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 308 424 - CG_GB1_36 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 308 430 - CG_GB1_36 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 308 431 - CG_GB1_36 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 308 432 - CG_GB1_36 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 308 433 - CG_GB1_36 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 308 440 - CG_GB1_36 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 308 442 - CG_GB1_36 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 308 448 - CG_GB1_36 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 308 460 - CG_GB1_36 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 308 462 - CG_GB1_36 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 308 468 - CG_GB1_36 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 308 469 - CG_GB1_36 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 308 470 - CG_GB1_36 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 308 476 - CG_GB1_36 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 308 478 - CG_GB1_36 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 308 484 - CG_GB1_36 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 308 485 + CB_GB1_36 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 307 481 + CB_GB1_36 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 307 486 + CB_GB1_36 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 307 487 + CB_GB1_36 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 307 488 + CB_GB1_36 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 307 489 + CB_GB1_36 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 307 490 + CB_GB1_36 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 307 491 + CG_GB1_36 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 308 316 + CG_GB1_36 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 308 324 + CG_GB1_36 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 308 330 + CG_GB1_36 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 308 331 + CG_GB1_36 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 308 332 + CG_GB1_36 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 308 338 + CG_GB1_36 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 308 346 + CG_GB1_36 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 308 352 + CG_GB1_36 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 308 353 + CG_GB1_36 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 308 362 + CG_GB1_36 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 308 377 + CG_GB1_36 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 308 379 + CG_GB1_36 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 308 385 + CG_GB1_36 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 308 398 + CG_GB1_36 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 308 407 + CG_GB1_36 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 308 416 + CG_GB1_36 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 308 422 + CG_GB1_36 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 308 424 + CG_GB1_36 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 308 430 + CG_GB1_36 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 308 431 + CG_GB1_36 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 308 432 + CG_GB1_36 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 308 433 + CG_GB1_36 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 308 440 + CG_GB1_36 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 308 442 + CG_GB1_36 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 308 448 + CG_GB1_36 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 308 460 + CG_GB1_36 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 308 462 + CG_GB1_36 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 308 468 + CG_GB1_36 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 308 469 + CG_GB1_36 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 308 470 + CG_GB1_36 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 308 476 + CG_GB1_36 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 308 478 + CG_GB1_36 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 308 484 + CG_GB1_36 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 308 485 OD1_GB1_36 OD1_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 309 309 OD1_GB1_36 OD2_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 309 310 OD1_GB1_36 O_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 309 312 OD1_GB1_36 H_GB1_37 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 309 314 -OD1_GB1_36 CB_GB1_37 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 309 316 +OD1_GB1_36 CB_GB1_37 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 309 316 OD1_GB1_36 OD1_GB1_37 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 309 318 OD1_GB1_36 O_GB1_37 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 309 321 OD1_GB1_36 H_GB1_38 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 309 323 -OD1_GB1_36 CA_GB1_38 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 309 324 +OD1_GB1_36 CA_GB1_38 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 309 324 OD1_GB1_36 O_GB1_38 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 309 326 OD1_GB1_36 H_GB1_39 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 309 328 -OD1_GB1_36 CB_GB1_39 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 309 330 +OD1_GB1_36 CB_GB1_39 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 309 330 OD1_GB1_36 CG1_GB1_39 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 309 331 OD1_GB1_36 CG2_GB1_39 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 309 332 OD1_GB1_36 O_GB1_39 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 309 334 OD1_GB1_36 H_GB1_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 309 336 -OD1_GB1_36 CB_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 309 338 +OD1_GB1_36 CB_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 309 338 OD1_GB1_36 OD1_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 309 340 OD1_GB1_36 OD2_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 309 341 OD1_GB1_36 O_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 309 343 OD1_GB1_36 H_GB1_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 309 345 -OD1_GB1_36 CA_GB1_41 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 309 346 +OD1_GB1_36 CA_GB1_41 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 309 346 OD1_GB1_36 O_GB1_41 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 309 348 OD1_GB1_36 H_GB1_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 309 350 -OD1_GB1_36 CB_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 309 352 -OD1_GB1_36 CG_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 309 353 +OD1_GB1_36 CB_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 309 352 +OD1_GB1_36 CG_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 309 353 OD1_GB1_36 OE1_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 309 355 OD1_GB1_36 OE2_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 309 356 OD1_GB1_36 O_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 309 358 OD1_GB1_36 H_GB1_43 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 309 360 -OD1_GB1_36 CB_GB1_43 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 309 362 +OD1_GB1_36 CB_GB1_43 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 309 362 OD1_GB1_36 O_GB1_43 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 309 373 OD1_GB1_36 H_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 309 375 -OD1_GB1_36 CB_GB1_44 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 309 377 +OD1_GB1_36 CB_GB1_44 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 309 377 OD1_GB1_36 CG2_GB1_44 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 309 379 OD1_GB1_36 O_GB1_44 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 309 381 OD1_GB1_36 H_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 309 383 -OD1_GB1_36 CB_GB1_45 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 309 385 +OD1_GB1_36 CB_GB1_45 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 309 385 OD1_GB1_36 O_GB1_45 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 309 394 OD1_GB1_36 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 309 396 -OD1_GB1_36 CB_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 309 398 +OD1_GB1_36 CB_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 309 398 OD1_GB1_36 OD1_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 309 400 OD1_GB1_36 OD2_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 309 401 OD1_GB1_36 O_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 309 403 OD1_GB1_36 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 309 405 -OD1_GB1_36 CB_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 309 407 +OD1_GB1_36 CB_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 309 407 OD1_GB1_36 OD1_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 309 409 OD1_GB1_36 OD2_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 309 410 OD1_GB1_36 O_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 309 412 @@ -32241,38 +32241,38 @@ OD1_GB1_36 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e- OD1_GB1_36 CB_GB1_48 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 309 416 OD1_GB1_36 O_GB1_48 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 309 418 OD1_GB1_36 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 309 420 -OD1_GB1_36 CB_GB1_49 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 309 422 +OD1_GB1_36 CB_GB1_49 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 309 422 OD1_GB1_36 CG2_GB1_49 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 309 424 OD1_GB1_36 O_GB1_49 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 309 426 OD1_GB1_36 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 309 428 -OD1_GB1_36 CB_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 309 430 -OD1_GB1_36 CG_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 309 431 -OD1_GB1_36 CD_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 309 432 -OD1_GB1_36 CE_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 309 433 +OD1_GB1_36 CB_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 309 430 +OD1_GB1_36 CG_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 309 431 +OD1_GB1_36 CD_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 309 432 +OD1_GB1_36 CE_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 309 433 OD1_GB1_36 O_GB1_50 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 309 436 OD1_GB1_36 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 309 438 -OD1_GB1_36 CB_GB1_51 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 309 440 +OD1_GB1_36 CB_GB1_51 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 309 440 OD1_GB1_36 CG2_GB1_51 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 309 442 OD1_GB1_36 O_GB1_51 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 309 444 OD1_GB1_36 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 309 446 -OD1_GB1_36 CB_GB1_52 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 309 448 +OD1_GB1_36 CB_GB1_52 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 309 448 OD1_GB1_36 O_GB1_52 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 309 456 OD1_GB1_36 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 309 458 -OD1_GB1_36 CB_GB1_53 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 309 460 +OD1_GB1_36 CB_GB1_53 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 309 460 OD1_GB1_36 CG2_GB1_53 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 309 462 OD1_GB1_36 O_GB1_53 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 309 464 OD1_GB1_36 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 309 466 -OD1_GB1_36 CB_GB1_54 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 309 468 +OD1_GB1_36 CB_GB1_54 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 309 468 OD1_GB1_36 CG1_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 309 469 OD1_GB1_36 CG2_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 309 470 OD1_GB1_36 O_GB1_54 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 309 472 OD1_GB1_36 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 309 474 -OD1_GB1_36 CB_GB1_55 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 309 476 +OD1_GB1_36 CB_GB1_55 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 309 476 OD1_GB1_36 CG2_GB1_55 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 309 478 OD1_GB1_36 O_GB1_55 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 309 480 OD1_GB1_36 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 309 482 -OD1_GB1_36 CB_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 309 484 -OD1_GB1_36 CG_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 309 485 +OD1_GB1_36 CB_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 309 484 +OD1_GB1_36 CG_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 309 485 OD1_GB1_36 OE1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 309 487 OD1_GB1_36 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 309 488 OD1_GB1_36 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 309 490 @@ -32280,48 +32280,48 @@ OD1_GB1_36 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- OD2_GB1_36 OD2_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 310 310 OD2_GB1_36 O_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 310 312 OD2_GB1_36 H_GB1_37 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 310 314 -OD2_GB1_36 CB_GB1_37 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 310 316 +OD2_GB1_36 CB_GB1_37 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 310 316 OD2_GB1_36 OD1_GB1_37 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 310 318 OD2_GB1_36 O_GB1_37 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 310 321 OD2_GB1_36 H_GB1_38 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 310 323 -OD2_GB1_36 CA_GB1_38 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 310 324 +OD2_GB1_36 CA_GB1_38 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 310 324 OD2_GB1_36 O_GB1_38 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 310 326 OD2_GB1_36 H_GB1_39 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 310 328 -OD2_GB1_36 CB_GB1_39 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 310 330 +OD2_GB1_36 CB_GB1_39 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 310 330 OD2_GB1_36 CG1_GB1_39 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 310 331 OD2_GB1_36 CG2_GB1_39 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 310 332 OD2_GB1_36 O_GB1_39 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 310 334 OD2_GB1_36 H_GB1_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 310 336 -OD2_GB1_36 CB_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 310 338 +OD2_GB1_36 CB_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 310 338 OD2_GB1_36 OD1_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 310 340 OD2_GB1_36 OD2_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 310 341 OD2_GB1_36 O_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 310 343 OD2_GB1_36 H_GB1_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 310 345 -OD2_GB1_36 CA_GB1_41 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 310 346 +OD2_GB1_36 CA_GB1_41 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 310 346 OD2_GB1_36 O_GB1_41 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 310 348 OD2_GB1_36 H_GB1_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 310 350 -OD2_GB1_36 CB_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 310 352 -OD2_GB1_36 CG_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 310 353 +OD2_GB1_36 CB_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 310 352 +OD2_GB1_36 CG_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 310 353 OD2_GB1_36 OE1_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 310 355 OD2_GB1_36 OE2_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 310 356 OD2_GB1_36 O_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 310 358 OD2_GB1_36 H_GB1_43 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 310 360 -OD2_GB1_36 CB_GB1_43 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 310 362 +OD2_GB1_36 CB_GB1_43 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 310 362 OD2_GB1_36 O_GB1_43 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 310 373 OD2_GB1_36 H_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 310 375 -OD2_GB1_36 CB_GB1_44 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 310 377 +OD2_GB1_36 CB_GB1_44 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 310 377 OD2_GB1_36 CG2_GB1_44 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 310 379 OD2_GB1_36 O_GB1_44 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 310 381 OD2_GB1_36 H_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 310 383 -OD2_GB1_36 CB_GB1_45 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 310 385 +OD2_GB1_36 CB_GB1_45 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 310 385 OD2_GB1_36 O_GB1_45 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 310 394 OD2_GB1_36 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 310 396 -OD2_GB1_36 CB_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 310 398 +OD2_GB1_36 CB_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 310 398 OD2_GB1_36 OD1_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 310 400 OD2_GB1_36 OD2_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 310 401 OD2_GB1_36 O_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 310 403 OD2_GB1_36 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 310 405 -OD2_GB1_36 CB_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 310 407 +OD2_GB1_36 CB_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 310 407 OD2_GB1_36 OD1_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 310 409 OD2_GB1_36 OD2_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 310 410 OD2_GB1_36 O_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 310 412 @@ -32329,76 +32329,76 @@ OD2_GB1_36 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e- OD2_GB1_36 CB_GB1_48 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 310 416 OD2_GB1_36 O_GB1_48 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 310 418 OD2_GB1_36 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 310 420 -OD2_GB1_36 CB_GB1_49 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 310 422 +OD2_GB1_36 CB_GB1_49 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 310 422 OD2_GB1_36 CG2_GB1_49 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 310 424 OD2_GB1_36 O_GB1_49 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 310 426 OD2_GB1_36 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 310 428 -OD2_GB1_36 CB_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 310 430 -OD2_GB1_36 CG_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 310 431 -OD2_GB1_36 CD_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 310 432 -OD2_GB1_36 CE_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 310 433 +OD2_GB1_36 CB_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 310 430 +OD2_GB1_36 CG_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 310 431 +OD2_GB1_36 CD_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 310 432 +OD2_GB1_36 CE_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 310 433 OD2_GB1_36 O_GB1_50 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 310 436 OD2_GB1_36 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 310 438 -OD2_GB1_36 CB_GB1_51 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 310 440 +OD2_GB1_36 CB_GB1_51 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 310 440 OD2_GB1_36 CG2_GB1_51 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 310 442 OD2_GB1_36 O_GB1_51 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 310 444 OD2_GB1_36 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 310 446 -OD2_GB1_36 CB_GB1_52 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 310 448 +OD2_GB1_36 CB_GB1_52 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 310 448 OD2_GB1_36 O_GB1_52 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 310 456 OD2_GB1_36 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 310 458 -OD2_GB1_36 CB_GB1_53 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 310 460 +OD2_GB1_36 CB_GB1_53 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 310 460 OD2_GB1_36 CG2_GB1_53 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 310 462 OD2_GB1_36 O_GB1_53 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 310 464 OD2_GB1_36 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 310 466 -OD2_GB1_36 CB_GB1_54 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 310 468 +OD2_GB1_36 CB_GB1_54 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 310 468 OD2_GB1_36 CG1_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 310 469 OD2_GB1_36 CG2_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 310 470 OD2_GB1_36 O_GB1_54 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 310 472 OD2_GB1_36 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 310 474 -OD2_GB1_36 CB_GB1_55 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 310 476 +OD2_GB1_36 CB_GB1_55 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 310 476 OD2_GB1_36 CG2_GB1_55 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 310 478 OD2_GB1_36 O_GB1_55 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 310 480 OD2_GB1_36 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 310 482 -OD2_GB1_36 CB_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 310 484 -OD2_GB1_36 CG_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 310 485 +OD2_GB1_36 CB_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 310 484 +OD2_GB1_36 CG_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 310 485 OD2_GB1_36 OE1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 310 487 OD2_GB1_36 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 310 488 OD2_GB1_36 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 310 490 OD2_GB1_36 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 310 491 - C_GB1_36 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 311 316 - C_GB1_36 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 311 324 - C_GB1_36 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 311 330 - C_GB1_36 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 311 331 - C_GB1_36 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 311 332 - C_GB1_36 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 311 338 - C_GB1_36 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 311 346 - C_GB1_36 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 311 352 - C_GB1_36 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 311 353 - C_GB1_36 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 311 362 - C_GB1_36 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 311 377 - C_GB1_36 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 311 379 - C_GB1_36 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 311 385 - C_GB1_36 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 311 398 - C_GB1_36 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 311 407 - C_GB1_36 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 311 416 - C_GB1_36 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 311 422 - C_GB1_36 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 311 424 - C_GB1_36 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 311 430 - C_GB1_36 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 311 431 - C_GB1_36 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 311 432 - C_GB1_36 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 311 433 - C_GB1_36 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 311 440 - C_GB1_36 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 311 442 - C_GB1_36 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 311 448 - C_GB1_36 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 311 460 - C_GB1_36 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 311 462 - C_GB1_36 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 311 468 - C_GB1_36 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 311 469 - C_GB1_36 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 311 470 - C_GB1_36 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 311 476 - C_GB1_36 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 311 478 - C_GB1_36 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 311 484 - C_GB1_36 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 311 485 + C_GB1_36 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 311 316 + C_GB1_36 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 311 324 + C_GB1_36 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 311 330 + C_GB1_36 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 311 331 + C_GB1_36 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 311 332 + C_GB1_36 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 311 338 + C_GB1_36 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 311 346 + C_GB1_36 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 311 352 + C_GB1_36 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 311 353 + C_GB1_36 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 311 362 + C_GB1_36 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 311 377 + C_GB1_36 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 311 379 + C_GB1_36 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 311 385 + C_GB1_36 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 311 398 + C_GB1_36 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 311 407 + C_GB1_36 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 311 416 + C_GB1_36 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 311 422 + C_GB1_36 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 311 424 + C_GB1_36 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 311 430 + C_GB1_36 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 311 431 + C_GB1_36 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 311 432 + C_GB1_36 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 311 433 + C_GB1_36 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 311 440 + C_GB1_36 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 311 442 + C_GB1_36 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 311 448 + C_GB1_36 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 311 460 + C_GB1_36 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 311 462 + C_GB1_36 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 311 468 + C_GB1_36 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 311 469 + C_GB1_36 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 311 470 + C_GB1_36 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 311 476 + C_GB1_36 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 311 478 + C_GB1_36 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 311 484 + C_GB1_36 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 311 485 O_GB1_36 O_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 312 312 O_GB1_36 H_GB1_37 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 312 314 O_GB1_36 CB_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 312 316 @@ -32486,40 +32486,40 @@ OD2_GB1_36 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- O_GB1_36 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 312 488 O_GB1_36 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 312 490 O_GB1_36 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 312 491 - N_GB1_37 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 313 316 - N_GB1_37 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 313 324 - N_GB1_37 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 313 330 - N_GB1_37 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 313 331 - N_GB1_37 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 313 332 - N_GB1_37 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 313 338 - N_GB1_37 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 313 346 - N_GB1_37 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 313 352 - N_GB1_37 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 313 353 - N_GB1_37 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 313 362 - N_GB1_37 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 313 377 - N_GB1_37 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 313 379 - N_GB1_37 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 313 385 - N_GB1_37 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 313 398 - N_GB1_37 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 313 407 - N_GB1_37 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 313 416 - N_GB1_37 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 313 422 - N_GB1_37 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 313 424 - N_GB1_37 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 313 430 - N_GB1_37 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 313 431 - N_GB1_37 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 313 432 - N_GB1_37 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 313 433 - N_GB1_37 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 313 440 - N_GB1_37 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 313 442 - N_GB1_37 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 313 448 - N_GB1_37 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 313 460 - N_GB1_37 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 313 462 - N_GB1_37 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 313 468 - N_GB1_37 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 313 469 - N_GB1_37 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 313 470 - N_GB1_37 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 313 476 - N_GB1_37 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 313 478 - N_GB1_37 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 313 484 - N_GB1_37 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 313 485 + N_GB1_37 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 313 316 + N_GB1_37 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 313 324 + N_GB1_37 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 313 330 + N_GB1_37 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 313 331 + N_GB1_37 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 313 332 + N_GB1_37 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 313 338 + N_GB1_37 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 313 346 + N_GB1_37 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 313 352 + N_GB1_37 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 313 353 + N_GB1_37 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 313 362 + N_GB1_37 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 313 377 + N_GB1_37 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 313 379 + N_GB1_37 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 313 385 + N_GB1_37 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 313 398 + N_GB1_37 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 313 407 + N_GB1_37 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 313 416 + N_GB1_37 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 313 422 + N_GB1_37 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 313 424 + N_GB1_37 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 313 430 + N_GB1_37 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 313 431 + N_GB1_37 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 313 432 + N_GB1_37 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 313 433 + N_GB1_37 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 313 440 + N_GB1_37 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 313 442 + N_GB1_37 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 313 448 + N_GB1_37 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 313 460 + N_GB1_37 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 313 462 + N_GB1_37 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 313 468 + N_GB1_37 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 313 469 + N_GB1_37 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 313 470 + N_GB1_37 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 313 476 + N_GB1_37 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 313 478 + N_GB1_37 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 313 484 + N_GB1_37 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 313 485 H_GB1_37 H_GB1_37 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 314 314 H_GB1_37 OD1_GB1_37 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 314 318 H_GB1_37 O_GB1_37 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 314 321 @@ -32578,125 +32578,125 @@ OD2_GB1_36 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- H_GB1_37 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 314 488 H_GB1_37 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 314 490 H_GB1_37 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 314 491 - CB_GB1_37 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 316 317 + CB_GB1_37 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 316 317 CB_GB1_37 OD1_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 316 318 - CB_GB1_37 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 316 319 - CB_GB1_37 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 316 320 + CB_GB1_37 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 316 319 + CB_GB1_37 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 316 320 CB_GB1_37 O_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 316 321 - CB_GB1_37 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 316 322 - CB_GB1_37 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 316 325 + CB_GB1_37 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 316 322 + CB_GB1_37 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 316 325 CB_GB1_37 O_GB1_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 316 326 - CB_GB1_37 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 316 327 - CB_GB1_37 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 316 333 + CB_GB1_37 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 316 327 + CB_GB1_37 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 316 333 CB_GB1_37 O_GB1_39 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 316 334 - CB_GB1_37 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 316 335 - CB_GB1_37 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 316 339 - CB_GB1_37 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 316 340 - CB_GB1_37 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 316 341 - CB_GB1_37 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 316 342 + CB_GB1_37 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 316 335 + CB_GB1_37 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 316 339 + CB_GB1_37 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 316 340 + CB_GB1_37 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 316 341 + CB_GB1_37 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 316 342 CB_GB1_37 O_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 316 343 - CB_GB1_37 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 316 344 - CB_GB1_37 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 316 347 + CB_GB1_37 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 316 344 + CB_GB1_37 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 316 347 CB_GB1_37 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 316 348 - CB_GB1_37 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 316 349 - CB_GB1_37 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 316 354 - CB_GB1_37 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 316 355 - CB_GB1_37 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 316 356 - CB_GB1_37 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 316 357 + CB_GB1_37 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 316 349 + CB_GB1_37 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 316 354 + CB_GB1_37 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 316 355 + CB_GB1_37 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 316 356 + CB_GB1_37 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 316 357 CB_GB1_37 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 316 358 - CB_GB1_37 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 316 359 - CB_GB1_37 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 316 366 - CB_GB1_37 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 316 372 + CB_GB1_37 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 316 359 + CB_GB1_37 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 316 366 + CB_GB1_37 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 316 372 CB_GB1_37 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 316 373 - CB_GB1_37 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 316 374 - CB_GB1_37 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 316 378 - CB_GB1_37 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 316 380 + CB_GB1_37 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 316 374 + CB_GB1_37 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 316 378 + CB_GB1_37 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 316 380 CB_GB1_37 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 316 381 - CB_GB1_37 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 316 382 - CB_GB1_37 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 316 392 - CB_GB1_37 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 316 393 + CB_GB1_37 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 316 382 + CB_GB1_37 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 316 392 + CB_GB1_37 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 316 393 CB_GB1_37 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 316 394 - CB_GB1_37 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 316 395 - CB_GB1_37 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 316 399 - CB_GB1_37 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 316 400 - CB_GB1_37 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 316 401 - CB_GB1_37 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 316 402 + CB_GB1_37 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 316 395 + CB_GB1_37 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 316 399 + CB_GB1_37 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 316 400 + CB_GB1_37 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 316 401 + CB_GB1_37 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 316 402 CB_GB1_37 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 316 403 - CB_GB1_37 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 316 404 - CB_GB1_37 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 316 408 - CB_GB1_37 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 316 409 - CB_GB1_37 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 316 410 - CB_GB1_37 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 316 411 + CB_GB1_37 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 316 404 + CB_GB1_37 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 316 408 + CB_GB1_37 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 316 409 + CB_GB1_37 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 316 410 + CB_GB1_37 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 316 411 CB_GB1_37 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 316 412 - CB_GB1_37 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 316 413 - CB_GB1_37 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 316 417 + CB_GB1_37 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 316 413 + CB_GB1_37 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 316 417 CB_GB1_37 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 316 418 - CB_GB1_37 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 316 419 - CB_GB1_37 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 316 423 - CB_GB1_37 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 316 425 + CB_GB1_37 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 316 419 + CB_GB1_37 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 316 423 + CB_GB1_37 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 316 425 CB_GB1_37 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 316 426 - CB_GB1_37 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 316 427 - CB_GB1_37 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 316 434 - CB_GB1_37 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 316 435 + CB_GB1_37 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 316 427 + CB_GB1_37 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 316 434 + CB_GB1_37 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 316 435 CB_GB1_37 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 316 436 - CB_GB1_37 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 316 437 - CB_GB1_37 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 316 441 - CB_GB1_37 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 316 443 + CB_GB1_37 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 316 437 + CB_GB1_37 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 316 441 + CB_GB1_37 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 316 443 CB_GB1_37 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 316 444 - CB_GB1_37 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 316 445 - CB_GB1_37 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 316 455 + CB_GB1_37 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 316 445 + CB_GB1_37 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 316 455 CB_GB1_37 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 316 456 - CB_GB1_37 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 316 457 - CB_GB1_37 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 316 461 - CB_GB1_37 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 316 463 + CB_GB1_37 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 316 457 + CB_GB1_37 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 316 461 + CB_GB1_37 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 316 463 CB_GB1_37 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 316 464 - CB_GB1_37 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 316 465 - CB_GB1_37 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 316 471 + CB_GB1_37 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 316 465 + CB_GB1_37 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 316 471 CB_GB1_37 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 316 472 - CB_GB1_37 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 316 473 - CB_GB1_37 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 316 477 - CB_GB1_37 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 316 479 + CB_GB1_37 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 316 473 + CB_GB1_37 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 316 477 + CB_GB1_37 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 316 479 CB_GB1_37 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 316 480 - CB_GB1_37 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 316 481 - CB_GB1_37 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 316 486 - CB_GB1_37 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 316 487 - CB_GB1_37 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 316 488 - CB_GB1_37 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 316 489 - CB_GB1_37 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 316 490 - CB_GB1_37 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 316 491 - CG_GB1_37 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 317 324 - CG_GB1_37 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 317 330 - CG_GB1_37 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 317 331 - CG_GB1_37 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 317 332 - CG_GB1_37 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 317 338 - CG_GB1_37 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 317 346 - CG_GB1_37 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 317 352 - CG_GB1_37 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 317 353 - CG_GB1_37 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 317 362 - CG_GB1_37 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 317 377 - CG_GB1_37 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 317 379 - CG_GB1_37 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 317 385 - CG_GB1_37 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 317 398 - CG_GB1_37 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 317 407 - CG_GB1_37 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 317 416 - CG_GB1_37 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 317 422 - CG_GB1_37 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 317 424 - CG_GB1_37 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 317 430 - CG_GB1_37 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 317 431 - CG_GB1_37 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 317 432 - CG_GB1_37 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 317 433 - CG_GB1_37 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 317 440 - CG_GB1_37 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 317 442 - CG_GB1_37 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 317 448 - CG_GB1_37 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 317 460 - CG_GB1_37 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 317 462 - CG_GB1_37 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 317 468 - CG_GB1_37 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 317 469 - CG_GB1_37 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 317 470 - CG_GB1_37 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 317 476 - CG_GB1_37 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 317 478 - CG_GB1_37 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 317 484 - CG_GB1_37 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 317 485 + CB_GB1_37 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 316 481 + CB_GB1_37 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 316 486 + CB_GB1_37 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 316 487 + CB_GB1_37 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 316 488 + CB_GB1_37 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 316 489 + CB_GB1_37 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 316 490 + CB_GB1_37 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 316 491 + CG_GB1_37 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 317 324 + CG_GB1_37 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 317 330 + CG_GB1_37 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 317 331 + CG_GB1_37 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 317 332 + CG_GB1_37 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 317 338 + CG_GB1_37 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 317 346 + CG_GB1_37 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 317 352 + CG_GB1_37 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 317 353 + CG_GB1_37 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 317 362 + CG_GB1_37 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 317 377 + CG_GB1_37 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 317 379 + CG_GB1_37 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 317 385 + CG_GB1_37 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 317 398 + CG_GB1_37 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 317 407 + CG_GB1_37 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 317 416 + CG_GB1_37 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 317 422 + CG_GB1_37 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 317 424 + CG_GB1_37 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 317 430 + CG_GB1_37 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 317 431 + CG_GB1_37 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 317 432 + CG_GB1_37 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 317 433 + CG_GB1_37 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 317 440 + CG_GB1_37 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 317 442 + CG_GB1_37 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 317 448 + CG_GB1_37 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 317 460 + CG_GB1_37 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 317 462 + CG_GB1_37 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 317 468 + CG_GB1_37 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 317 469 + CG_GB1_37 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 317 470 + CG_GB1_37 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 317 476 + CG_GB1_37 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 317 478 + CG_GB1_37 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 317 484 + CG_GB1_37 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 317 485 OD1_GB1_37 OD1_GB1_37 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 318 318 OD1_GB1_37 O_GB1_37 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 318 321 OD1_GB1_37 H_GB1_38 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 318 323 @@ -32781,72 +32781,72 @@ OD1_GB1_37 OE1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- OD1_GB1_37 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 318 488 OD1_GB1_37 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 318 490 OD1_GB1_37 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 318 491 -ND2_GB1_37 CA_GB1_38 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 319 324 -ND2_GB1_37 CB_GB1_39 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 319 330 -ND2_GB1_37 CG1_GB1_39 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 319 331 -ND2_GB1_37 CG2_GB1_39 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 319 332 -ND2_GB1_37 CB_GB1_40 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 319 338 -ND2_GB1_37 CA_GB1_41 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 319 346 -ND2_GB1_37 CB_GB1_42 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 319 352 -ND2_GB1_37 CG_GB1_42 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 319 353 -ND2_GB1_37 CB_GB1_43 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 319 362 -ND2_GB1_37 CB_GB1_44 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 319 377 -ND2_GB1_37 CG2_GB1_44 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 319 379 -ND2_GB1_37 CB_GB1_45 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 319 385 -ND2_GB1_37 CB_GB1_46 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 319 398 -ND2_GB1_37 CB_GB1_47 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 319 407 -ND2_GB1_37 CB_GB1_48 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 319 416 -ND2_GB1_37 CB_GB1_49 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 319 422 -ND2_GB1_37 CG2_GB1_49 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 319 424 -ND2_GB1_37 CB_GB1_50 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 319 430 -ND2_GB1_37 CG_GB1_50 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 319 431 -ND2_GB1_37 CD_GB1_50 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 319 432 -ND2_GB1_37 CE_GB1_50 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 319 433 -ND2_GB1_37 CB_GB1_51 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 319 440 -ND2_GB1_37 CG2_GB1_51 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 319 442 -ND2_GB1_37 CB_GB1_52 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 319 448 -ND2_GB1_37 CB_GB1_53 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 319 460 -ND2_GB1_37 CG2_GB1_53 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 319 462 -ND2_GB1_37 CB_GB1_54 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 319 468 -ND2_GB1_37 CG1_GB1_54 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 319 469 -ND2_GB1_37 CG2_GB1_54 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 319 470 -ND2_GB1_37 CB_GB1_55 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.0 1.0 1.0 1.0 False mg 7 319 476 -ND2_GB1_37 CG2_GB1_55 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.0 1.0 1.0 1.0 False mg 7 319 478 -ND2_GB1_37 CB_GB1_56 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 319 484 -ND2_GB1_37 CG_GB1_56 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.0 1.0 1.0 1.0 False mg 7 319 485 - C_GB1_37 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 320 324 - C_GB1_37 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 320 330 - C_GB1_37 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 320 331 - C_GB1_37 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 320 332 - C_GB1_37 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 320 338 - C_GB1_37 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 320 346 - C_GB1_37 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 320 352 - C_GB1_37 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 320 353 - C_GB1_37 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 320 362 - C_GB1_37 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 320 377 - C_GB1_37 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 320 379 - C_GB1_37 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 320 385 - C_GB1_37 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 320 398 - C_GB1_37 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 320 407 - C_GB1_37 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 320 416 - C_GB1_37 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 320 422 - C_GB1_37 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 320 424 - C_GB1_37 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 320 430 - C_GB1_37 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 320 431 - C_GB1_37 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 320 432 - C_GB1_37 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 320 433 - C_GB1_37 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 320 440 - C_GB1_37 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 320 442 - C_GB1_37 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 320 448 - C_GB1_37 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 320 460 - C_GB1_37 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 320 462 - C_GB1_37 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 320 468 - C_GB1_37 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 320 469 - C_GB1_37 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 320 470 - C_GB1_37 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 320 476 - C_GB1_37 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 320 478 - C_GB1_37 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 320 484 - C_GB1_37 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 320 485 +ND2_GB1_37 CA_GB1_38 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 319 324 +ND2_GB1_37 CB_GB1_39 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 319 330 +ND2_GB1_37 CG1_GB1_39 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 319 331 +ND2_GB1_37 CG2_GB1_39 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 319 332 +ND2_GB1_37 CB_GB1_40 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 319 338 +ND2_GB1_37 CA_GB1_41 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 319 346 +ND2_GB1_37 CB_GB1_42 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 319 352 +ND2_GB1_37 CG_GB1_42 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 319 353 +ND2_GB1_37 CB_GB1_43 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 319 362 +ND2_GB1_37 CB_GB1_44 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 319 377 +ND2_GB1_37 CG2_GB1_44 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 319 379 +ND2_GB1_37 CB_GB1_45 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 319 385 +ND2_GB1_37 CB_GB1_46 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 319 398 +ND2_GB1_37 CB_GB1_47 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 319 407 +ND2_GB1_37 CB_GB1_48 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 319 416 +ND2_GB1_37 CB_GB1_49 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 319 422 +ND2_GB1_37 CG2_GB1_49 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 319 424 +ND2_GB1_37 CB_GB1_50 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 319 430 +ND2_GB1_37 CG_GB1_50 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 319 431 +ND2_GB1_37 CD_GB1_50 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 319 432 +ND2_GB1_37 CE_GB1_50 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 319 433 +ND2_GB1_37 CB_GB1_51 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 319 440 +ND2_GB1_37 CG2_GB1_51 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 319 442 +ND2_GB1_37 CB_GB1_52 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 319 448 +ND2_GB1_37 CB_GB1_53 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 319 460 +ND2_GB1_37 CG2_GB1_53 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 319 462 +ND2_GB1_37 CB_GB1_54 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 319 468 +ND2_GB1_37 CG1_GB1_54 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 319 469 +ND2_GB1_37 CG2_GB1_54 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 319 470 +ND2_GB1_37 CB_GB1_55 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.0 1.0 1.0 1.0 False mg 7 319 476 +ND2_GB1_37 CG2_GB1_55 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.0 1.0 1.0 1.0 False mg 7 319 478 +ND2_GB1_37 CB_GB1_56 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 319 484 +ND2_GB1_37 CG_GB1_56 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.0 1.0 1.0 1.0 False mg 7 319 485 + C_GB1_37 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 320 324 + C_GB1_37 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 320 330 + C_GB1_37 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 320 331 + C_GB1_37 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 320 332 + C_GB1_37 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 320 338 + C_GB1_37 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 320 346 + C_GB1_37 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 320 352 + C_GB1_37 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 320 353 + C_GB1_37 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 320 362 + C_GB1_37 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 320 377 + C_GB1_37 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 320 379 + C_GB1_37 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 320 385 + C_GB1_37 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 320 398 + C_GB1_37 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 320 407 + C_GB1_37 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 320 416 + C_GB1_37 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 320 422 + C_GB1_37 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 320 424 + C_GB1_37 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 320 430 + C_GB1_37 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 320 431 + C_GB1_37 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 320 432 + C_GB1_37 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 320 433 + C_GB1_37 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 320 440 + C_GB1_37 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 320 442 + C_GB1_37 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 320 448 + C_GB1_37 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 320 460 + C_GB1_37 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 320 462 + C_GB1_37 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 320 468 + C_GB1_37 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 320 469 + C_GB1_37 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 320 470 + C_GB1_37 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 320 476 + C_GB1_37 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 320 478 + C_GB1_37 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 320 484 + C_GB1_37 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 320 485 O_GB1_37 O_GB1_37 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 321 321 O_GB1_37 H_GB1_38 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 321 323 O_GB1_37 CA_GB1_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 321 324 @@ -32930,39 +32930,39 @@ ND2_GB1_37 CG_GB1_56 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e- O_GB1_37 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 321 488 O_GB1_37 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 321 490 O_GB1_37 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 321 491 - N_GB1_38 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 322 324 - N_GB1_38 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 322 330 - N_GB1_38 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 322 331 - N_GB1_38 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 322 332 - N_GB1_38 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 322 338 - N_GB1_38 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 322 346 - N_GB1_38 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 322 352 - N_GB1_38 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 322 353 - N_GB1_38 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 322 362 - N_GB1_38 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 322 377 - N_GB1_38 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 322 379 - N_GB1_38 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 322 385 - N_GB1_38 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 322 398 - N_GB1_38 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 322 407 - N_GB1_38 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 322 416 - N_GB1_38 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 322 422 - N_GB1_38 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 322 424 - N_GB1_38 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 322 430 - N_GB1_38 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 322 431 - N_GB1_38 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 322 432 - N_GB1_38 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 322 433 - N_GB1_38 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 322 440 - N_GB1_38 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 322 442 - N_GB1_38 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 322 448 - N_GB1_38 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 322 460 - N_GB1_38 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 322 462 - N_GB1_38 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 322 468 - N_GB1_38 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 322 469 - N_GB1_38 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 322 470 - N_GB1_38 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 322 476 - N_GB1_38 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 322 478 - N_GB1_38 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 322 484 - N_GB1_38 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 322 485 + N_GB1_38 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 322 324 + N_GB1_38 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 322 330 + N_GB1_38 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 322 331 + N_GB1_38 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 322 332 + N_GB1_38 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 322 338 + N_GB1_38 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 322 346 + N_GB1_38 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 322 352 + N_GB1_38 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 322 353 + N_GB1_38 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 322 362 + N_GB1_38 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 322 377 + N_GB1_38 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 322 379 + N_GB1_38 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 322 385 + N_GB1_38 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 322 398 + N_GB1_38 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 322 407 + N_GB1_38 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 322 416 + N_GB1_38 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 322 422 + N_GB1_38 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 322 424 + N_GB1_38 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 322 430 + N_GB1_38 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 322 431 + N_GB1_38 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 322 432 + N_GB1_38 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 322 433 + N_GB1_38 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 322 440 + N_GB1_38 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 322 442 + N_GB1_38 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 322 448 + N_GB1_38 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 322 460 + N_GB1_38 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 322 462 + N_GB1_38 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 322 468 + N_GB1_38 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 322 469 + N_GB1_38 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 322 470 + N_GB1_38 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 322 476 + N_GB1_38 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 322 478 + N_GB1_38 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 322 484 + N_GB1_38 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 322 485 H_GB1_38 H_GB1_38 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 323 323 H_GB1_38 O_GB1_38 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 323 326 H_GB1_38 H_GB1_39 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 323 328 @@ -33018,118 +33018,118 @@ ND2_GB1_37 CG_GB1_56 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e- H_GB1_38 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 323 488 H_GB1_38 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 323 490 H_GB1_38 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 323 491 - CA_GB1_38 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 324 325 + CA_GB1_38 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 324 325 CA_GB1_38 O_GB1_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 324 326 - CA_GB1_38 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 324 327 - CA_GB1_38 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 324 333 + CA_GB1_38 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 324 327 + CA_GB1_38 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 324 333 CA_GB1_38 O_GB1_39 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 324 334 - CA_GB1_38 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 324 335 - CA_GB1_38 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 324 339 - CA_GB1_38 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 324 340 - CA_GB1_38 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 324 341 - CA_GB1_38 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 324 342 + CA_GB1_38 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 324 335 + CA_GB1_38 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 324 339 + CA_GB1_38 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 324 340 + CA_GB1_38 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 324 341 + CA_GB1_38 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 324 342 CA_GB1_38 O_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 324 343 - CA_GB1_38 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 324 344 - CA_GB1_38 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 324 347 + CA_GB1_38 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 324 344 + CA_GB1_38 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 324 347 CA_GB1_38 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 324 348 - CA_GB1_38 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 324 349 - CA_GB1_38 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 324 354 - CA_GB1_38 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 324 355 - CA_GB1_38 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 324 356 - CA_GB1_38 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 324 357 + CA_GB1_38 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 324 349 + CA_GB1_38 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 324 354 + CA_GB1_38 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 324 355 + CA_GB1_38 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 324 356 + CA_GB1_38 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 324 357 CA_GB1_38 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 324 358 - CA_GB1_38 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 324 359 - CA_GB1_38 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 324 366 - CA_GB1_38 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 324 372 + CA_GB1_38 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 324 359 + CA_GB1_38 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 324 366 + CA_GB1_38 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 324 372 CA_GB1_38 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 324 373 - CA_GB1_38 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 324 374 - CA_GB1_38 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 324 378 - CA_GB1_38 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 324 380 + CA_GB1_38 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 324 374 + CA_GB1_38 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 324 378 + CA_GB1_38 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 324 380 CA_GB1_38 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 324 381 - CA_GB1_38 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 324 382 - CA_GB1_38 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 324 392 - CA_GB1_38 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 324 393 + CA_GB1_38 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 324 382 + CA_GB1_38 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 324 392 + CA_GB1_38 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 324 393 CA_GB1_38 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 324 394 - CA_GB1_38 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 324 395 - CA_GB1_38 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 324 399 - CA_GB1_38 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 324 400 - CA_GB1_38 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 324 401 - CA_GB1_38 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 324 402 + CA_GB1_38 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 324 395 + CA_GB1_38 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 324 399 + CA_GB1_38 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 324 400 + CA_GB1_38 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 324 401 + CA_GB1_38 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 324 402 CA_GB1_38 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 324 403 - CA_GB1_38 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 324 404 - CA_GB1_38 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 324 408 - CA_GB1_38 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 324 409 - CA_GB1_38 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 324 410 - CA_GB1_38 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 324 411 + CA_GB1_38 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 324 404 + CA_GB1_38 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 324 408 + CA_GB1_38 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 324 409 + CA_GB1_38 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 324 410 + CA_GB1_38 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 324 411 CA_GB1_38 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 324 412 - CA_GB1_38 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 324 413 - CA_GB1_38 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 324 417 + CA_GB1_38 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 324 413 + CA_GB1_38 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 324 417 CA_GB1_38 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 324 418 - CA_GB1_38 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 324 419 - CA_GB1_38 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 324 423 - CA_GB1_38 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 324 425 + CA_GB1_38 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 324 419 + CA_GB1_38 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 324 423 + CA_GB1_38 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 324 425 CA_GB1_38 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 324 426 - CA_GB1_38 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 324 427 - CA_GB1_38 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 324 434 - CA_GB1_38 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 324 435 + CA_GB1_38 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 324 427 + CA_GB1_38 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 324 434 + CA_GB1_38 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 324 435 CA_GB1_38 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 324 436 - CA_GB1_38 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 324 437 - CA_GB1_38 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 324 441 - CA_GB1_38 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 324 443 + CA_GB1_38 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 324 437 + CA_GB1_38 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 324 441 + CA_GB1_38 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 324 443 CA_GB1_38 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 324 444 - CA_GB1_38 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 324 445 - CA_GB1_38 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 324 455 + CA_GB1_38 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 324 445 + CA_GB1_38 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 324 455 CA_GB1_38 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 324 456 - CA_GB1_38 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 324 457 - CA_GB1_38 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 324 461 - CA_GB1_38 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 324 463 + CA_GB1_38 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 324 457 + CA_GB1_38 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 324 461 + CA_GB1_38 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 324 463 CA_GB1_38 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 324 464 - CA_GB1_38 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 324 465 - CA_GB1_38 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 324 471 + CA_GB1_38 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 324 465 + CA_GB1_38 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 324 471 CA_GB1_38 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 324 472 - CA_GB1_38 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 324 473 - CA_GB1_38 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 324 477 - CA_GB1_38 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 324 479 + CA_GB1_38 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 324 473 + CA_GB1_38 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 324 477 + CA_GB1_38 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 324 479 CA_GB1_38 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 324 480 - CA_GB1_38 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 324 481 - CA_GB1_38 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 324 486 - CA_GB1_38 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 324 487 - CA_GB1_38 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 324 488 - CA_GB1_38 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 324 489 - CA_GB1_38 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 324 490 - CA_GB1_38 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 324 491 - C_GB1_38 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 325 330 - C_GB1_38 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 325 331 - C_GB1_38 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 325 332 - C_GB1_38 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 325 338 - C_GB1_38 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 325 346 - C_GB1_38 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 325 352 - C_GB1_38 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 325 353 - C_GB1_38 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 325 362 - C_GB1_38 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 325 377 - C_GB1_38 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 325 379 - C_GB1_38 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 325 385 - C_GB1_38 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 325 398 - C_GB1_38 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 325 407 - C_GB1_38 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 325 416 - C_GB1_38 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 325 422 - C_GB1_38 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 325 424 - C_GB1_38 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 325 430 - C_GB1_38 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 325 431 - C_GB1_38 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 325 432 - C_GB1_38 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 325 433 - C_GB1_38 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 325 440 - C_GB1_38 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 325 442 - C_GB1_38 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 325 448 - C_GB1_38 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 325 460 - C_GB1_38 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 325 462 - C_GB1_38 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 325 468 - C_GB1_38 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 325 469 - C_GB1_38 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 325 470 - C_GB1_38 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 325 476 - C_GB1_38 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 325 478 - C_GB1_38 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 325 484 - C_GB1_38 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 325 485 + CA_GB1_38 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 324 481 + CA_GB1_38 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 324 486 + CA_GB1_38 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 324 487 + CA_GB1_38 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 324 488 + CA_GB1_38 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 324 489 + CA_GB1_38 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 324 490 + CA_GB1_38 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 324 491 + C_GB1_38 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 325 330 + C_GB1_38 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 325 331 + C_GB1_38 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 325 332 + C_GB1_38 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 325 338 + C_GB1_38 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 325 346 + C_GB1_38 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 325 352 + C_GB1_38 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 325 353 + C_GB1_38 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 325 362 + C_GB1_38 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 325 377 + C_GB1_38 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 325 379 + C_GB1_38 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 325 385 + C_GB1_38 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 325 398 + C_GB1_38 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 325 407 + C_GB1_38 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 325 416 + C_GB1_38 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 325 422 + C_GB1_38 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 325 424 + C_GB1_38 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 325 430 + C_GB1_38 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 325 431 + C_GB1_38 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 325 432 + C_GB1_38 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 325 433 + C_GB1_38 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 325 440 + C_GB1_38 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 325 442 + C_GB1_38 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 325 448 + C_GB1_38 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 325 460 + C_GB1_38 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 325 462 + C_GB1_38 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 325 468 + C_GB1_38 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 325 469 + C_GB1_38 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 325 470 + C_GB1_38 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 325 476 + C_GB1_38 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 325 478 + C_GB1_38 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 325 484 + C_GB1_38 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 325 485 O_GB1_38 O_GB1_38 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 326 326 O_GB1_38 H_GB1_39 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 326 328 O_GB1_38 CB_GB1_39 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 326 330 @@ -33210,38 +33210,38 @@ ND2_GB1_37 CG_GB1_56 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e- O_GB1_38 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 326 488 O_GB1_38 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 326 490 O_GB1_38 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 326 491 - N_GB1_39 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 327 330 - N_GB1_39 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 327 331 - N_GB1_39 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 327 332 - N_GB1_39 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 327 338 - N_GB1_39 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 327 346 - N_GB1_39 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 327 352 - N_GB1_39 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 327 353 - N_GB1_39 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 327 362 - N_GB1_39 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 327 377 - N_GB1_39 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 327 379 - N_GB1_39 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 327 385 - N_GB1_39 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 327 398 - N_GB1_39 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 327 407 - N_GB1_39 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 327 416 - N_GB1_39 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 327 422 - N_GB1_39 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 327 424 - N_GB1_39 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 327 430 - N_GB1_39 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 327 431 - N_GB1_39 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 327 432 - N_GB1_39 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 327 433 - N_GB1_39 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 327 440 - N_GB1_39 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 327 442 - N_GB1_39 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 327 448 - N_GB1_39 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 327 460 - N_GB1_39 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 327 462 - N_GB1_39 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 327 468 - N_GB1_39 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 327 469 - N_GB1_39 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 327 470 - N_GB1_39 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 327 476 - N_GB1_39 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 327 478 - N_GB1_39 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 327 484 - N_GB1_39 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 327 485 + N_GB1_39 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 327 330 + N_GB1_39 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 327 331 + N_GB1_39 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 327 332 + N_GB1_39 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 327 338 + N_GB1_39 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 327 346 + N_GB1_39 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 327 352 + N_GB1_39 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 327 353 + N_GB1_39 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 327 362 + N_GB1_39 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 327 377 + N_GB1_39 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 327 379 + N_GB1_39 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 327 385 + N_GB1_39 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 327 398 + N_GB1_39 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 327 407 + N_GB1_39 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 327 416 + N_GB1_39 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 327 422 + N_GB1_39 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 327 424 + N_GB1_39 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 327 430 + N_GB1_39 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 327 431 + N_GB1_39 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 327 432 + N_GB1_39 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 327 433 + N_GB1_39 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 327 440 + N_GB1_39 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 327 442 + N_GB1_39 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 327 448 + N_GB1_39 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 327 460 + N_GB1_39 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 327 462 + N_GB1_39 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 327 468 + N_GB1_39 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 327 469 + N_GB1_39 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 327 470 + N_GB1_39 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 327 476 + N_GB1_39 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 327 478 + N_GB1_39 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 327 484 + N_GB1_39 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 327 485 H_GB1_39 H_GB1_39 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 328 328 H_GB1_39 O_GB1_39 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 328 334 H_GB1_39 H_GB1_40 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 328 336 @@ -33295,266 +33295,266 @@ ND2_GB1_37 CG_GB1_56 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e- H_GB1_39 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 328 488 H_GB1_39 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 328 490 H_GB1_39 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 328 491 - CB_GB1_39 C_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 330 333 + CB_GB1_39 C_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 330 333 CB_GB1_39 O_GB1_39 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 330 334 - CB_GB1_39 N_GB1_40 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 330 335 - CB_GB1_39 CG_GB1_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 330 339 - CB_GB1_39 OD1_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 330 340 - CB_GB1_39 OD2_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 330 341 - CB_GB1_39 C_GB1_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 330 342 + CB_GB1_39 N_GB1_40 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 330 335 + CB_GB1_39 CG_GB1_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 330 339 + CB_GB1_39 OD1_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 330 340 + CB_GB1_39 OD2_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 330 341 + CB_GB1_39 C_GB1_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 330 342 CB_GB1_39 O_GB1_40 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 330 343 - CB_GB1_39 N_GB1_41 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 330 344 - CB_GB1_39 C_GB1_41 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 330 347 + CB_GB1_39 N_GB1_41 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 330 344 + CB_GB1_39 C_GB1_41 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 330 347 CB_GB1_39 O_GB1_41 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 330 348 - CB_GB1_39 N_GB1_42 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 330 349 - CB_GB1_39 CD_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 330 354 - CB_GB1_39 OE1_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 330 355 - CB_GB1_39 OE2_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 330 356 - CB_GB1_39 C_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 330 357 + CB_GB1_39 N_GB1_42 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 330 349 + CB_GB1_39 CD_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 330 354 + CB_GB1_39 OE1_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 330 355 + CB_GB1_39 OE2_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 330 356 + CB_GB1_39 C_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 330 357 CB_GB1_39 O_GB1_42 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 330 358 - CB_GB1_39 N_GB1_43 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 330 359 - CB_GB1_39 NE1_GB1_43 1 0.000000e+00 9.937288e-06 ; 8.853117e-06 -9.937288e-06 1.0 1.0 1.0 1.0 False mg 7 330 366 - CB_GB1_39 C_GB1_43 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 330 372 + CB_GB1_39 N_GB1_43 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 330 359 + CB_GB1_39 NE1_GB1_43 1 0.000000e+00 9.937231e-06 ; 8.853066e-06 -9.937231e-06 1.0 1.0 1.0 1.0 False mg 7 330 366 + CB_GB1_39 C_GB1_43 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 330 372 CB_GB1_39 O_GB1_43 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 330 373 - CB_GB1_39 N_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 330 374 - CB_GB1_39 OG1_GB1_44 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 330 378 - CB_GB1_39 C_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 330 380 + CB_GB1_39 N_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 330 374 + CB_GB1_39 OG1_GB1_44 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 330 378 + CB_GB1_39 C_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 330 380 CB_GB1_39 O_GB1_44 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 330 381 - CB_GB1_39 N_GB1_45 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 330 382 - CB_GB1_39 OH_GB1_45 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 330 392 - CB_GB1_39 C_GB1_45 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 330 393 + CB_GB1_39 N_GB1_45 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 330 382 + CB_GB1_39 OH_GB1_45 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 330 392 + CB_GB1_39 C_GB1_45 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 330 393 CB_GB1_39 O_GB1_45 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 330 394 - CB_GB1_39 N_GB1_46 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 330 395 - CB_GB1_39 CG_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 330 399 - CB_GB1_39 OD1_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 330 400 - CB_GB1_39 OD2_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 330 401 - CB_GB1_39 C_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 330 402 + CB_GB1_39 N_GB1_46 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 330 395 + CB_GB1_39 CG_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 330 399 + CB_GB1_39 OD1_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 330 400 + CB_GB1_39 OD2_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 330 401 + CB_GB1_39 C_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 330 402 CB_GB1_39 O_GB1_46 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 330 403 - CB_GB1_39 N_GB1_47 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 330 404 - CB_GB1_39 CG_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 330 408 - CB_GB1_39 OD1_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 330 409 - CB_GB1_39 OD2_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 330 410 - CB_GB1_39 C_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 330 411 + CB_GB1_39 N_GB1_47 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 330 404 + CB_GB1_39 CG_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 330 408 + CB_GB1_39 OD1_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 330 409 + CB_GB1_39 OD2_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 330 410 + CB_GB1_39 C_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 330 411 CB_GB1_39 O_GB1_47 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 330 412 - CB_GB1_39 N_GB1_48 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 330 413 - CB_GB1_39 C_GB1_48 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 330 417 + CB_GB1_39 N_GB1_48 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 330 413 + CB_GB1_39 C_GB1_48 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 330 417 CB_GB1_39 O_GB1_48 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 330 418 - CB_GB1_39 N_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 330 419 - CB_GB1_39 OG1_GB1_49 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 330 423 - CB_GB1_39 C_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 330 425 + CB_GB1_39 N_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 330 419 + CB_GB1_39 OG1_GB1_49 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 330 423 + CB_GB1_39 C_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 330 425 CB_GB1_39 O_GB1_49 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 330 426 - CB_GB1_39 N_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 330 427 - CB_GB1_39 NZ_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 330 434 - CB_GB1_39 C_GB1_50 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 330 435 + CB_GB1_39 N_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 330 427 + CB_GB1_39 NZ_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 330 434 + CB_GB1_39 C_GB1_50 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 330 435 CB_GB1_39 O_GB1_50 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 330 436 - CB_GB1_39 N_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 330 437 - CB_GB1_39 OG1_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 330 441 - CB_GB1_39 C_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 330 443 + CB_GB1_39 N_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 330 437 + CB_GB1_39 OG1_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 330 441 + CB_GB1_39 C_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 330 443 CB_GB1_39 O_GB1_51 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 330 444 - CB_GB1_39 N_GB1_52 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 330 445 - CB_GB1_39 C_GB1_52 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 330 455 + CB_GB1_39 N_GB1_52 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 330 445 + CB_GB1_39 C_GB1_52 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 330 455 CB_GB1_39 O_GB1_52 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 330 456 - CB_GB1_39 N_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 330 457 - CB_GB1_39 OG1_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 330 461 - CB_GB1_39 C_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 330 463 + CB_GB1_39 N_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 330 457 + CB_GB1_39 OG1_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 330 461 + CB_GB1_39 C_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 330 463 CB_GB1_39 O_GB1_53 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 330 464 - CB_GB1_39 N_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 330 465 - CB_GB1_39 C_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 330 471 + CB_GB1_39 N_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 330 465 + CB_GB1_39 C_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 330 471 CB_GB1_39 O_GB1_54 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 330 472 - CB_GB1_39 N_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 330 473 - CB_GB1_39 OG1_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 330 477 - CB_GB1_39 C_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 330 479 + CB_GB1_39 N_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 330 473 + CB_GB1_39 OG1_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 330 477 + CB_GB1_39 C_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 330 479 CB_GB1_39 O_GB1_55 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 330 480 - CB_GB1_39 N_GB1_56 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 330 481 - CB_GB1_39 CD_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 330 486 - CB_GB1_39 OE1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 330 487 - CB_GB1_39 OE2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 330 488 - CB_GB1_39 C_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 330 489 - CB_GB1_39 O1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 330 490 - CB_GB1_39 O2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 330 491 -CG1_GB1_39 C_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 331 333 + CB_GB1_39 N_GB1_56 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 330 481 + CB_GB1_39 CD_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 330 486 + CB_GB1_39 OE1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 330 487 + CB_GB1_39 OE2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 330 488 + CB_GB1_39 C_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 330 489 + CB_GB1_39 O1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 330 490 + CB_GB1_39 O2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 330 491 +CG1_GB1_39 C_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 331 333 CG1_GB1_39 O_GB1_39 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 331 334 -CG1_GB1_39 N_GB1_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 331 335 -CG1_GB1_39 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 331 339 +CG1_GB1_39 N_GB1_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 331 335 +CG1_GB1_39 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 331 339 CG1_GB1_39 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 331 340 CG1_GB1_39 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 331 341 -CG1_GB1_39 C_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 331 342 +CG1_GB1_39 C_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 331 342 CG1_GB1_39 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 331 343 -CG1_GB1_39 N_GB1_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 331 344 -CG1_GB1_39 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 331 347 +CG1_GB1_39 N_GB1_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 331 344 +CG1_GB1_39 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 331 347 CG1_GB1_39 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 331 348 -CG1_GB1_39 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 331 349 -CG1_GB1_39 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 331 354 +CG1_GB1_39 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 331 349 +CG1_GB1_39 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 331 354 CG1_GB1_39 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 331 355 CG1_GB1_39 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 331 356 -CG1_GB1_39 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 331 357 +CG1_GB1_39 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 331 357 CG1_GB1_39 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 331 358 -CG1_GB1_39 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 331 359 -CG1_GB1_39 NE1_GB1_43 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.0 1.0 1.0 1.0 False mg 7 331 366 -CG1_GB1_39 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 331 372 +CG1_GB1_39 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 331 359 +CG1_GB1_39 NE1_GB1_43 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.0 1.0 1.0 1.0 False mg 7 331 366 +CG1_GB1_39 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 331 372 CG1_GB1_39 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 331 373 -CG1_GB1_39 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 331 374 -CG1_GB1_39 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 331 378 -CG1_GB1_39 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 331 380 +CG1_GB1_39 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 331 374 +CG1_GB1_39 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 331 378 +CG1_GB1_39 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 331 380 CG1_GB1_39 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 331 381 -CG1_GB1_39 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 331 382 -CG1_GB1_39 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 331 392 -CG1_GB1_39 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 331 393 +CG1_GB1_39 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 331 382 +CG1_GB1_39 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 331 392 +CG1_GB1_39 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 331 393 CG1_GB1_39 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 331 394 -CG1_GB1_39 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 331 395 -CG1_GB1_39 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 331 399 +CG1_GB1_39 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 331 395 +CG1_GB1_39 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 331 399 CG1_GB1_39 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 331 400 CG1_GB1_39 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 331 401 -CG1_GB1_39 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 331 402 +CG1_GB1_39 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 331 402 CG1_GB1_39 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 331 403 -CG1_GB1_39 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 331 404 -CG1_GB1_39 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 331 408 +CG1_GB1_39 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 331 404 +CG1_GB1_39 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 331 408 CG1_GB1_39 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 331 409 CG1_GB1_39 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 331 410 -CG1_GB1_39 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 331 411 +CG1_GB1_39 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 331 411 CG1_GB1_39 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 331 412 -CG1_GB1_39 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 331 413 -CG1_GB1_39 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 331 417 +CG1_GB1_39 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 331 413 +CG1_GB1_39 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 331 417 CG1_GB1_39 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 331 418 -CG1_GB1_39 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 331 419 -CG1_GB1_39 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 331 423 -CG1_GB1_39 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 331 425 +CG1_GB1_39 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 331 419 +CG1_GB1_39 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 331 423 +CG1_GB1_39 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 331 425 CG1_GB1_39 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 331 426 -CG1_GB1_39 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 331 427 -CG1_GB1_39 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 331 434 -CG1_GB1_39 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 331 435 +CG1_GB1_39 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 331 427 +CG1_GB1_39 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 331 434 +CG1_GB1_39 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 331 435 CG1_GB1_39 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 331 436 -CG1_GB1_39 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 331 437 -CG1_GB1_39 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 331 441 -CG1_GB1_39 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 331 443 +CG1_GB1_39 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 331 437 +CG1_GB1_39 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 331 441 +CG1_GB1_39 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 331 443 CG1_GB1_39 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 331 444 -CG1_GB1_39 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 331 445 -CG1_GB1_39 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 331 455 +CG1_GB1_39 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 331 445 +CG1_GB1_39 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 331 455 CG1_GB1_39 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 331 456 -CG1_GB1_39 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 331 457 -CG1_GB1_39 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 331 461 -CG1_GB1_39 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 331 463 +CG1_GB1_39 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 331 457 +CG1_GB1_39 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 331 461 +CG1_GB1_39 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 331 463 CG1_GB1_39 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 331 464 -CG1_GB1_39 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 331 465 -CG1_GB1_39 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 331 471 +CG1_GB1_39 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 331 465 +CG1_GB1_39 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 331 471 CG1_GB1_39 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 331 472 -CG1_GB1_39 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 331 473 -CG1_GB1_39 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 331 477 -CG1_GB1_39 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 331 479 +CG1_GB1_39 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 331 473 +CG1_GB1_39 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 331 477 +CG1_GB1_39 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 331 479 CG1_GB1_39 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 331 480 -CG1_GB1_39 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 331 481 -CG1_GB1_39 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 331 486 +CG1_GB1_39 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 331 481 +CG1_GB1_39 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 331 486 CG1_GB1_39 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 331 487 CG1_GB1_39 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 331 488 -CG1_GB1_39 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 331 489 +CG1_GB1_39 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 331 489 CG1_GB1_39 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 331 490 CG1_GB1_39 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 331 491 -CG2_GB1_39 C_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 332 333 +CG2_GB1_39 C_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 332 333 CG2_GB1_39 O_GB1_39 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 332 334 -CG2_GB1_39 N_GB1_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 332 335 -CG2_GB1_39 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 332 339 +CG2_GB1_39 N_GB1_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 332 335 +CG2_GB1_39 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 332 339 CG2_GB1_39 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 332 340 CG2_GB1_39 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 332 341 -CG2_GB1_39 C_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 332 342 +CG2_GB1_39 C_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 332 342 CG2_GB1_39 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 332 343 -CG2_GB1_39 N_GB1_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 332 344 -CG2_GB1_39 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 332 347 +CG2_GB1_39 N_GB1_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 332 344 +CG2_GB1_39 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 332 347 CG2_GB1_39 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 332 348 -CG2_GB1_39 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 332 349 -CG2_GB1_39 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 332 354 +CG2_GB1_39 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 332 349 +CG2_GB1_39 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 332 354 CG2_GB1_39 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 332 355 CG2_GB1_39 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 332 356 -CG2_GB1_39 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 332 357 +CG2_GB1_39 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 332 357 CG2_GB1_39 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 332 358 -CG2_GB1_39 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 332 359 -CG2_GB1_39 NE1_GB1_43 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.0 1.0 1.0 1.0 False mg 7 332 366 -CG2_GB1_39 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 332 372 +CG2_GB1_39 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 332 359 +CG2_GB1_39 NE1_GB1_43 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.0 1.0 1.0 1.0 False mg 7 332 366 +CG2_GB1_39 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 332 372 CG2_GB1_39 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 332 373 -CG2_GB1_39 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 332 374 -CG2_GB1_39 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 332 378 -CG2_GB1_39 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 332 380 +CG2_GB1_39 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 332 374 +CG2_GB1_39 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 332 378 +CG2_GB1_39 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 332 380 CG2_GB1_39 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 332 381 -CG2_GB1_39 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 332 382 -CG2_GB1_39 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 332 392 -CG2_GB1_39 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 332 393 +CG2_GB1_39 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 332 382 +CG2_GB1_39 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 332 392 +CG2_GB1_39 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 332 393 CG2_GB1_39 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 332 394 -CG2_GB1_39 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 332 395 -CG2_GB1_39 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 332 399 +CG2_GB1_39 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 332 395 +CG2_GB1_39 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 332 399 CG2_GB1_39 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 332 400 CG2_GB1_39 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 332 401 -CG2_GB1_39 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 332 402 +CG2_GB1_39 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 332 402 CG2_GB1_39 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 332 403 -CG2_GB1_39 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 332 404 -CG2_GB1_39 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 332 408 +CG2_GB1_39 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 332 404 +CG2_GB1_39 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 332 408 CG2_GB1_39 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 332 409 CG2_GB1_39 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 332 410 -CG2_GB1_39 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 332 411 +CG2_GB1_39 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 332 411 CG2_GB1_39 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 332 412 -CG2_GB1_39 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 332 413 -CG2_GB1_39 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 332 417 +CG2_GB1_39 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 332 413 +CG2_GB1_39 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 332 417 CG2_GB1_39 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 332 418 -CG2_GB1_39 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 332 419 -CG2_GB1_39 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 332 423 -CG2_GB1_39 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 332 425 +CG2_GB1_39 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 332 419 +CG2_GB1_39 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 332 423 +CG2_GB1_39 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 332 425 CG2_GB1_39 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 332 426 -CG2_GB1_39 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 332 427 -CG2_GB1_39 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 332 434 -CG2_GB1_39 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 332 435 +CG2_GB1_39 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 332 427 +CG2_GB1_39 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 332 434 +CG2_GB1_39 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 332 435 CG2_GB1_39 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 332 436 -CG2_GB1_39 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 332 437 -CG2_GB1_39 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 332 441 -CG2_GB1_39 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 332 443 +CG2_GB1_39 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 332 437 +CG2_GB1_39 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 332 441 +CG2_GB1_39 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 332 443 CG2_GB1_39 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 332 444 -CG2_GB1_39 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 332 445 -CG2_GB1_39 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 332 455 +CG2_GB1_39 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 332 445 +CG2_GB1_39 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 332 455 CG2_GB1_39 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 332 456 -CG2_GB1_39 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 332 457 -CG2_GB1_39 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 332 461 -CG2_GB1_39 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 332 463 +CG2_GB1_39 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 332 457 +CG2_GB1_39 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 332 461 +CG2_GB1_39 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 332 463 CG2_GB1_39 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 332 464 -CG2_GB1_39 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 332 465 -CG2_GB1_39 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 332 471 +CG2_GB1_39 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 332 465 +CG2_GB1_39 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 332 471 CG2_GB1_39 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 332 472 -CG2_GB1_39 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 332 473 -CG2_GB1_39 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 332 477 -CG2_GB1_39 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 332 479 +CG2_GB1_39 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 332 473 +CG2_GB1_39 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 332 477 +CG2_GB1_39 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 332 479 CG2_GB1_39 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 332 480 -CG2_GB1_39 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 332 481 -CG2_GB1_39 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 332 486 +CG2_GB1_39 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 332 481 +CG2_GB1_39 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 332 486 CG2_GB1_39 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 332 487 CG2_GB1_39 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 332 488 -CG2_GB1_39 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 332 489 +CG2_GB1_39 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 332 489 CG2_GB1_39 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 332 490 CG2_GB1_39 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 332 491 - C_GB1_39 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 333 338 - C_GB1_39 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 333 346 - C_GB1_39 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 333 352 - C_GB1_39 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 333 353 - C_GB1_39 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 333 362 - C_GB1_39 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 333 377 - C_GB1_39 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 333 379 - C_GB1_39 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 333 385 - C_GB1_39 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 333 398 - C_GB1_39 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 333 407 - C_GB1_39 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 333 416 - C_GB1_39 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 333 422 - C_GB1_39 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 333 424 - C_GB1_39 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 333 430 - C_GB1_39 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 333 431 - C_GB1_39 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 333 432 - C_GB1_39 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 333 433 - C_GB1_39 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 333 440 - C_GB1_39 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 333 442 - C_GB1_39 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 333 448 - C_GB1_39 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 333 460 - C_GB1_39 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 333 462 - C_GB1_39 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 333 468 - C_GB1_39 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 333 469 - C_GB1_39 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 333 470 - C_GB1_39 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 333 476 - C_GB1_39 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 333 478 - C_GB1_39 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 333 484 - C_GB1_39 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 333 485 + C_GB1_39 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 333 338 + C_GB1_39 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 333 346 + C_GB1_39 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 333 352 + C_GB1_39 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 333 353 + C_GB1_39 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 333 362 + C_GB1_39 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 333 377 + C_GB1_39 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 333 379 + C_GB1_39 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 333 385 + C_GB1_39 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 333 398 + C_GB1_39 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 333 407 + C_GB1_39 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 333 416 + C_GB1_39 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 333 422 + C_GB1_39 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 333 424 + C_GB1_39 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 333 430 + C_GB1_39 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 333 431 + C_GB1_39 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 333 432 + C_GB1_39 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 333 433 + C_GB1_39 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 333 440 + C_GB1_39 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 333 442 + C_GB1_39 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 333 448 + C_GB1_39 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 333 460 + C_GB1_39 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 333 462 + C_GB1_39 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 333 468 + C_GB1_39 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 333 469 + C_GB1_39 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 333 470 + C_GB1_39 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 333 476 + C_GB1_39 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 333 478 + C_GB1_39 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 333 484 + C_GB1_39 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 333 485 O_GB1_39 O_GB1_39 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 334 334 O_GB1_39 H_GB1_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 334 336 O_GB1_39 CB_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 334 338 @@ -33630,35 +33630,35 @@ CG2_GB1_39 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- O_GB1_39 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 334 488 O_GB1_39 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 334 490 O_GB1_39 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 334 491 - N_GB1_40 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 335 338 - N_GB1_40 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 335 346 - N_GB1_40 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 335 352 - N_GB1_40 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 335 353 - N_GB1_40 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 335 362 - N_GB1_40 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 335 377 - N_GB1_40 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 335 379 - N_GB1_40 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 335 385 - N_GB1_40 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 335 398 - N_GB1_40 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 335 407 - N_GB1_40 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 335 416 - N_GB1_40 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 335 422 - N_GB1_40 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 335 424 - N_GB1_40 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 335 430 - N_GB1_40 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 335 431 - N_GB1_40 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 335 432 - N_GB1_40 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 335 433 - N_GB1_40 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 335 440 - N_GB1_40 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 335 442 - N_GB1_40 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 335 448 - N_GB1_40 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 335 460 - N_GB1_40 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 335 462 - N_GB1_40 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 335 468 - N_GB1_40 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 335 469 - N_GB1_40 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 335 470 - N_GB1_40 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 335 476 - N_GB1_40 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 335 478 - N_GB1_40 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 335 484 - N_GB1_40 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 335 485 + N_GB1_40 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 335 338 + N_GB1_40 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 335 346 + N_GB1_40 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 335 352 + N_GB1_40 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 335 353 + N_GB1_40 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 335 362 + N_GB1_40 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 335 377 + N_GB1_40 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 335 379 + N_GB1_40 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 335 385 + N_GB1_40 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 335 398 + N_GB1_40 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 335 407 + N_GB1_40 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 335 416 + N_GB1_40 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 335 422 + N_GB1_40 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 335 424 + N_GB1_40 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 335 430 + N_GB1_40 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 335 431 + N_GB1_40 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 335 432 + N_GB1_40 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 335 433 + N_GB1_40 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 335 440 + N_GB1_40 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 335 442 + N_GB1_40 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 335 448 + N_GB1_40 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 335 460 + N_GB1_40 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 335 462 + N_GB1_40 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 335 468 + N_GB1_40 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 335 469 + N_GB1_40 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 335 470 + N_GB1_40 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 335 476 + N_GB1_40 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 335 478 + N_GB1_40 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 335 484 + N_GB1_40 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 335 485 H_GB1_40 H_GB1_40 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 336 336 H_GB1_40 OD1_GB1_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 336 340 H_GB1_40 OD2_GB1_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 336 341 @@ -33710,137 +33710,137 @@ CG2_GB1_39 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- H_GB1_40 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 336 488 H_GB1_40 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 336 490 H_GB1_40 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 336 491 - CB_GB1_40 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 338 339 - CB_GB1_40 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 338 340 - CB_GB1_40 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 338 341 - CB_GB1_40 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 338 342 + CB_GB1_40 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 338 339 + CB_GB1_40 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 338 340 + CB_GB1_40 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 338 341 + CB_GB1_40 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 338 342 CB_GB1_40 O_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 338 343 - CB_GB1_40 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 338 344 - CB_GB1_40 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 338 347 + CB_GB1_40 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 338 344 + CB_GB1_40 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 338 347 CB_GB1_40 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 338 348 - CB_GB1_40 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 338 349 - CB_GB1_40 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 338 354 - CB_GB1_40 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 338 355 - CB_GB1_40 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 338 356 - CB_GB1_40 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 338 357 + CB_GB1_40 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 338 349 + CB_GB1_40 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 338 354 + CB_GB1_40 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 338 355 + CB_GB1_40 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 338 356 + CB_GB1_40 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 338 357 CB_GB1_40 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 338 358 - CB_GB1_40 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 338 359 - CB_GB1_40 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 338 366 - CB_GB1_40 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 338 372 + CB_GB1_40 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 338 359 + CB_GB1_40 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 338 366 + CB_GB1_40 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 338 372 CB_GB1_40 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 338 373 - CB_GB1_40 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 338 374 - CB_GB1_40 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 338 378 - CB_GB1_40 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 338 380 + CB_GB1_40 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 338 374 + CB_GB1_40 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 338 378 + CB_GB1_40 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 338 380 CB_GB1_40 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 338 381 - CB_GB1_40 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 338 382 - CB_GB1_40 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 338 392 - CB_GB1_40 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 338 393 + CB_GB1_40 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 338 382 + CB_GB1_40 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 338 392 + CB_GB1_40 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 338 393 CB_GB1_40 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 338 394 - CB_GB1_40 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 338 395 - CB_GB1_40 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 338 399 - CB_GB1_40 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 338 400 - CB_GB1_40 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 338 401 - CB_GB1_40 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 338 402 + CB_GB1_40 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 338 395 + CB_GB1_40 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 338 399 + CB_GB1_40 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 338 400 + CB_GB1_40 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 338 401 + CB_GB1_40 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 338 402 CB_GB1_40 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 338 403 - CB_GB1_40 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 338 404 - CB_GB1_40 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 338 408 - CB_GB1_40 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 338 409 - CB_GB1_40 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 338 410 - CB_GB1_40 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 338 411 + CB_GB1_40 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 338 404 + CB_GB1_40 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 338 408 + CB_GB1_40 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 338 409 + CB_GB1_40 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 338 410 + CB_GB1_40 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 338 411 CB_GB1_40 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 338 412 - CB_GB1_40 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 338 413 - CB_GB1_40 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 338 417 + CB_GB1_40 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 338 413 + CB_GB1_40 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 338 417 CB_GB1_40 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 338 418 - CB_GB1_40 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 338 419 - CB_GB1_40 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 338 423 - CB_GB1_40 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 338 425 + CB_GB1_40 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 338 419 + CB_GB1_40 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 338 423 + CB_GB1_40 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 338 425 CB_GB1_40 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 338 426 - CB_GB1_40 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 338 427 - CB_GB1_40 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 338 434 - CB_GB1_40 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 338 435 + CB_GB1_40 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 338 427 + CB_GB1_40 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 338 434 + CB_GB1_40 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 338 435 CB_GB1_40 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 338 436 - CB_GB1_40 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 338 437 - CB_GB1_40 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 338 441 - CB_GB1_40 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 338 443 + CB_GB1_40 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 338 437 + CB_GB1_40 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 338 441 + CB_GB1_40 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 338 443 CB_GB1_40 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 338 444 - CB_GB1_40 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 338 445 - CB_GB1_40 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 338 455 + CB_GB1_40 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 338 445 + CB_GB1_40 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 338 455 CB_GB1_40 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 338 456 - CB_GB1_40 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 338 457 - CB_GB1_40 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 338 461 - CB_GB1_40 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 338 463 + CB_GB1_40 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 338 457 + CB_GB1_40 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 338 461 + CB_GB1_40 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 338 463 CB_GB1_40 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 338 464 - CB_GB1_40 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 338 465 - CB_GB1_40 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 338 471 + CB_GB1_40 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 338 465 + CB_GB1_40 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 338 471 CB_GB1_40 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 338 472 - CB_GB1_40 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 338 473 - CB_GB1_40 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 338 477 - CB_GB1_40 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 338 479 + CB_GB1_40 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 338 473 + CB_GB1_40 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 338 477 + CB_GB1_40 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 338 479 CB_GB1_40 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 338 480 - CB_GB1_40 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 338 481 - CB_GB1_40 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 338 486 - CB_GB1_40 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 338 487 - CB_GB1_40 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 338 488 - CB_GB1_40 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 338 489 - CB_GB1_40 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 338 490 - CB_GB1_40 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 338 491 - CG_GB1_40 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 339 346 - CG_GB1_40 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 339 352 - CG_GB1_40 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 339 353 - CG_GB1_40 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 339 362 - CG_GB1_40 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 339 377 - CG_GB1_40 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 339 379 - CG_GB1_40 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 339 385 - CG_GB1_40 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 339 398 - CG_GB1_40 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 339 407 - CG_GB1_40 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 339 416 - CG_GB1_40 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 339 422 - CG_GB1_40 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 339 424 - CG_GB1_40 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 339 430 - CG_GB1_40 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 339 431 - CG_GB1_40 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 339 432 - CG_GB1_40 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 339 433 - CG_GB1_40 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 339 440 - CG_GB1_40 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 339 442 - CG_GB1_40 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 339 448 - CG_GB1_40 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 339 460 - CG_GB1_40 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 339 462 - CG_GB1_40 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 339 468 - CG_GB1_40 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 339 469 - CG_GB1_40 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 339 470 - CG_GB1_40 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 339 476 - CG_GB1_40 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 339 478 - CG_GB1_40 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 339 484 - CG_GB1_40 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 339 485 + CB_GB1_40 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 338 481 + CB_GB1_40 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 338 486 + CB_GB1_40 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 338 487 + CB_GB1_40 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 338 488 + CB_GB1_40 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 338 489 + CB_GB1_40 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 338 490 + CB_GB1_40 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 338 491 + CG_GB1_40 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 339 346 + CG_GB1_40 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 339 352 + CG_GB1_40 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 339 353 + CG_GB1_40 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 339 362 + CG_GB1_40 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 339 377 + CG_GB1_40 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 339 379 + CG_GB1_40 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 339 385 + CG_GB1_40 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 339 398 + CG_GB1_40 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 339 407 + CG_GB1_40 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 339 416 + CG_GB1_40 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 339 422 + CG_GB1_40 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 339 424 + CG_GB1_40 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 339 430 + CG_GB1_40 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 339 431 + CG_GB1_40 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 339 432 + CG_GB1_40 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 339 433 + CG_GB1_40 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 339 440 + CG_GB1_40 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 339 442 + CG_GB1_40 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 339 448 + CG_GB1_40 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 339 460 + CG_GB1_40 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 339 462 + CG_GB1_40 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 339 468 + CG_GB1_40 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 339 469 + CG_GB1_40 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 339 470 + CG_GB1_40 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 339 476 + CG_GB1_40 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 339 478 + CG_GB1_40 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 339 484 + CG_GB1_40 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 339 485 OD1_GB1_40 OD1_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 340 340 OD1_GB1_40 OD2_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 340 341 OD1_GB1_40 O_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 340 343 OD1_GB1_40 H_GB1_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 340 345 -OD1_GB1_40 CA_GB1_41 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 340 346 +OD1_GB1_40 CA_GB1_41 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 340 346 OD1_GB1_40 O_GB1_41 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 340 348 OD1_GB1_40 H_GB1_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 340 350 -OD1_GB1_40 CB_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 340 352 -OD1_GB1_40 CG_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 340 353 +OD1_GB1_40 CB_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 340 352 +OD1_GB1_40 CG_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 340 353 OD1_GB1_40 OE1_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 340 355 OD1_GB1_40 OE2_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 340 356 OD1_GB1_40 O_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 340 358 OD1_GB1_40 H_GB1_43 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 340 360 -OD1_GB1_40 CB_GB1_43 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 340 362 +OD1_GB1_40 CB_GB1_43 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 340 362 OD1_GB1_40 O_GB1_43 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 340 373 OD1_GB1_40 H_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 340 375 -OD1_GB1_40 CB_GB1_44 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 340 377 +OD1_GB1_40 CB_GB1_44 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 340 377 OD1_GB1_40 CG2_GB1_44 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 340 379 OD1_GB1_40 O_GB1_44 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 340 381 OD1_GB1_40 H_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 340 383 -OD1_GB1_40 CB_GB1_45 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 340 385 +OD1_GB1_40 CB_GB1_45 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 340 385 OD1_GB1_40 O_GB1_45 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 340 394 OD1_GB1_40 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 340 396 -OD1_GB1_40 CB_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 340 398 +OD1_GB1_40 CB_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 340 398 OD1_GB1_40 OD1_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 340 400 OD1_GB1_40 OD2_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 340 401 OD1_GB1_40 O_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 340 403 OD1_GB1_40 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 340 405 -OD1_GB1_40 CB_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 340 407 +OD1_GB1_40 CB_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 340 407 OD1_GB1_40 OD1_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 340 409 OD1_GB1_40 OD2_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 340 410 OD1_GB1_40 O_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 340 412 @@ -33848,38 +33848,38 @@ OD1_GB1_40 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e- OD1_GB1_40 CB_GB1_48 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 340 416 OD1_GB1_40 O_GB1_48 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 340 418 OD1_GB1_40 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 340 420 -OD1_GB1_40 CB_GB1_49 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 340 422 +OD1_GB1_40 CB_GB1_49 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 340 422 OD1_GB1_40 CG2_GB1_49 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 340 424 OD1_GB1_40 O_GB1_49 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 340 426 OD1_GB1_40 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 340 428 -OD1_GB1_40 CB_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 340 430 -OD1_GB1_40 CG_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 340 431 -OD1_GB1_40 CD_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 340 432 -OD1_GB1_40 CE_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 340 433 +OD1_GB1_40 CB_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 340 430 +OD1_GB1_40 CG_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 340 431 +OD1_GB1_40 CD_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 340 432 +OD1_GB1_40 CE_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 340 433 OD1_GB1_40 O_GB1_50 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 340 436 OD1_GB1_40 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 340 438 -OD1_GB1_40 CB_GB1_51 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 340 440 +OD1_GB1_40 CB_GB1_51 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 340 440 OD1_GB1_40 CG2_GB1_51 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 340 442 OD1_GB1_40 O_GB1_51 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 340 444 OD1_GB1_40 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 340 446 -OD1_GB1_40 CB_GB1_52 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 340 448 +OD1_GB1_40 CB_GB1_52 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 340 448 OD1_GB1_40 O_GB1_52 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 340 456 OD1_GB1_40 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 340 458 -OD1_GB1_40 CB_GB1_53 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 340 460 +OD1_GB1_40 CB_GB1_53 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 340 460 OD1_GB1_40 CG2_GB1_53 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 340 462 OD1_GB1_40 O_GB1_53 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 340 464 OD1_GB1_40 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 340 466 -OD1_GB1_40 CB_GB1_54 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 340 468 +OD1_GB1_40 CB_GB1_54 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 340 468 OD1_GB1_40 CG1_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 340 469 OD1_GB1_40 CG2_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 340 470 OD1_GB1_40 O_GB1_54 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 340 472 OD1_GB1_40 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 340 474 -OD1_GB1_40 CB_GB1_55 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 340 476 +OD1_GB1_40 CB_GB1_55 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 340 476 OD1_GB1_40 CG2_GB1_55 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 340 478 OD1_GB1_40 O_GB1_55 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 340 480 OD1_GB1_40 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 340 482 -OD1_GB1_40 CB_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 340 484 -OD1_GB1_40 CG_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 340 485 +OD1_GB1_40 CB_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 340 484 +OD1_GB1_40 CG_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 340 485 OD1_GB1_40 OE1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 340 487 OD1_GB1_40 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 340 488 OD1_GB1_40 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 340 490 @@ -33887,31 +33887,31 @@ OD1_GB1_40 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- OD2_GB1_40 OD2_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 341 341 OD2_GB1_40 O_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 341 343 OD2_GB1_40 H_GB1_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 341 345 -OD2_GB1_40 CA_GB1_41 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 341 346 +OD2_GB1_40 CA_GB1_41 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 341 346 OD2_GB1_40 O_GB1_41 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 341 348 OD2_GB1_40 H_GB1_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 341 350 -OD2_GB1_40 CB_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 341 352 -OD2_GB1_40 CG_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 341 353 +OD2_GB1_40 CB_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 341 352 +OD2_GB1_40 CG_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 341 353 OD2_GB1_40 OE1_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 341 355 OD2_GB1_40 OE2_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 341 356 OD2_GB1_40 O_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 341 358 OD2_GB1_40 H_GB1_43 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 341 360 -OD2_GB1_40 CB_GB1_43 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 341 362 +OD2_GB1_40 CB_GB1_43 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 341 362 OD2_GB1_40 O_GB1_43 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 341 373 OD2_GB1_40 H_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 341 375 -OD2_GB1_40 CB_GB1_44 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 341 377 +OD2_GB1_40 CB_GB1_44 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 341 377 OD2_GB1_40 CG2_GB1_44 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 341 379 OD2_GB1_40 O_GB1_44 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 341 381 OD2_GB1_40 H_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 341 383 -OD2_GB1_40 CB_GB1_45 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 341 385 +OD2_GB1_40 CB_GB1_45 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 341 385 OD2_GB1_40 O_GB1_45 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 341 394 OD2_GB1_40 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 341 396 -OD2_GB1_40 CB_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 341 398 +OD2_GB1_40 CB_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 341 398 OD2_GB1_40 OD1_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 341 400 OD2_GB1_40 OD2_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 341 401 OD2_GB1_40 O_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 341 403 OD2_GB1_40 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 341 405 -OD2_GB1_40 CB_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 341 407 +OD2_GB1_40 CB_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 341 407 OD2_GB1_40 OD1_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 341 409 OD2_GB1_40 OD2_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 341 410 OD2_GB1_40 O_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 341 412 @@ -33919,70 +33919,70 @@ OD2_GB1_40 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e- OD2_GB1_40 CB_GB1_48 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 341 416 OD2_GB1_40 O_GB1_48 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 341 418 OD2_GB1_40 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 341 420 -OD2_GB1_40 CB_GB1_49 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 341 422 +OD2_GB1_40 CB_GB1_49 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 341 422 OD2_GB1_40 CG2_GB1_49 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 341 424 OD2_GB1_40 O_GB1_49 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 341 426 OD2_GB1_40 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 341 428 -OD2_GB1_40 CB_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 341 430 -OD2_GB1_40 CG_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 341 431 -OD2_GB1_40 CD_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 341 432 -OD2_GB1_40 CE_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 341 433 +OD2_GB1_40 CB_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 341 430 +OD2_GB1_40 CG_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 341 431 +OD2_GB1_40 CD_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 341 432 +OD2_GB1_40 CE_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 341 433 OD2_GB1_40 O_GB1_50 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 341 436 OD2_GB1_40 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 341 438 -OD2_GB1_40 CB_GB1_51 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 341 440 +OD2_GB1_40 CB_GB1_51 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 341 440 OD2_GB1_40 CG2_GB1_51 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 341 442 OD2_GB1_40 O_GB1_51 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 341 444 OD2_GB1_40 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 341 446 -OD2_GB1_40 CB_GB1_52 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 341 448 +OD2_GB1_40 CB_GB1_52 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 341 448 OD2_GB1_40 O_GB1_52 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 341 456 OD2_GB1_40 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 341 458 -OD2_GB1_40 CB_GB1_53 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 341 460 +OD2_GB1_40 CB_GB1_53 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 341 460 OD2_GB1_40 CG2_GB1_53 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 341 462 OD2_GB1_40 O_GB1_53 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 341 464 OD2_GB1_40 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 341 466 -OD2_GB1_40 CB_GB1_54 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 341 468 +OD2_GB1_40 CB_GB1_54 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 341 468 OD2_GB1_40 CG1_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 341 469 OD2_GB1_40 CG2_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 341 470 OD2_GB1_40 O_GB1_54 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 341 472 OD2_GB1_40 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 341 474 -OD2_GB1_40 CB_GB1_55 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 341 476 +OD2_GB1_40 CB_GB1_55 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 341 476 OD2_GB1_40 CG2_GB1_55 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 341 478 OD2_GB1_40 O_GB1_55 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 341 480 OD2_GB1_40 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 341 482 -OD2_GB1_40 CB_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 341 484 -OD2_GB1_40 CG_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 341 485 +OD2_GB1_40 CB_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 341 484 +OD2_GB1_40 CG_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 341 485 OD2_GB1_40 OE1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 341 487 OD2_GB1_40 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 341 488 OD2_GB1_40 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 341 490 OD2_GB1_40 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 341 491 - C_GB1_40 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 342 346 - C_GB1_40 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 342 352 - C_GB1_40 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 342 353 - C_GB1_40 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 342 362 - C_GB1_40 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 342 377 - C_GB1_40 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 342 379 - C_GB1_40 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 342 385 - C_GB1_40 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 342 398 - C_GB1_40 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 342 407 - C_GB1_40 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 342 416 - C_GB1_40 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 342 422 - C_GB1_40 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 342 424 - C_GB1_40 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 342 430 - C_GB1_40 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 342 431 - C_GB1_40 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 342 432 - C_GB1_40 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 342 433 - C_GB1_40 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 342 440 - C_GB1_40 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 342 442 - C_GB1_40 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 342 448 - C_GB1_40 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 342 460 - C_GB1_40 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 342 462 - C_GB1_40 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 342 468 - C_GB1_40 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 342 469 - C_GB1_40 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 342 470 - C_GB1_40 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 342 476 - C_GB1_40 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 342 478 - C_GB1_40 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 342 484 - C_GB1_40 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 342 485 + C_GB1_40 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 342 346 + C_GB1_40 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 342 352 + C_GB1_40 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 342 353 + C_GB1_40 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 342 362 + C_GB1_40 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 342 377 + C_GB1_40 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 342 379 + C_GB1_40 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 342 385 + C_GB1_40 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 342 398 + C_GB1_40 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 342 407 + C_GB1_40 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 342 416 + C_GB1_40 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 342 422 + C_GB1_40 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 342 424 + C_GB1_40 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 342 430 + C_GB1_40 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 342 431 + C_GB1_40 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 342 432 + C_GB1_40 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 342 433 + C_GB1_40 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 342 440 + C_GB1_40 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 342 442 + C_GB1_40 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 342 448 + C_GB1_40 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 342 460 + C_GB1_40 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 342 462 + C_GB1_40 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 342 468 + C_GB1_40 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 342 469 + C_GB1_40 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 342 470 + C_GB1_40 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 342 476 + C_GB1_40 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 342 478 + C_GB1_40 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 342 484 + C_GB1_40 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 342 485 O_GB1_40 O_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 343 343 O_GB1_40 H_GB1_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 343 345 O_GB1_40 CA_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 343 346 @@ -34053,34 +34053,34 @@ OD2_GB1_40 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- O_GB1_40 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 343 488 O_GB1_40 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 343 490 O_GB1_40 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 343 491 - N_GB1_41 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 344 346 - N_GB1_41 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 344 352 - N_GB1_41 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 344 353 - N_GB1_41 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 344 362 - N_GB1_41 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 344 377 - N_GB1_41 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 344 379 - N_GB1_41 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 344 385 - N_GB1_41 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 344 398 - N_GB1_41 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 344 407 - N_GB1_41 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 344 416 - N_GB1_41 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 344 422 - N_GB1_41 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 344 424 - N_GB1_41 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 344 430 - N_GB1_41 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 344 431 - N_GB1_41 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 344 432 - N_GB1_41 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 344 433 - N_GB1_41 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 344 440 - N_GB1_41 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 344 442 - N_GB1_41 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 344 448 - N_GB1_41 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 344 460 - N_GB1_41 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 344 462 - N_GB1_41 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 344 468 - N_GB1_41 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 344 469 - N_GB1_41 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 344 470 - N_GB1_41 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 344 476 - N_GB1_41 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 344 478 - N_GB1_41 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 344 484 - N_GB1_41 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 344 485 + N_GB1_41 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 344 346 + N_GB1_41 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 344 352 + N_GB1_41 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 344 353 + N_GB1_41 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 344 362 + N_GB1_41 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 344 377 + N_GB1_41 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 344 379 + N_GB1_41 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 344 385 + N_GB1_41 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 344 398 + N_GB1_41 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 344 407 + N_GB1_41 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 344 416 + N_GB1_41 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 344 422 + N_GB1_41 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 344 424 + N_GB1_41 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 344 430 + N_GB1_41 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 344 431 + N_GB1_41 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 344 432 + N_GB1_41 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 344 433 + N_GB1_41 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 344 440 + N_GB1_41 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 344 442 + N_GB1_41 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 344 448 + N_GB1_41 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 344 460 + N_GB1_41 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 344 462 + N_GB1_41 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 344 468 + N_GB1_41 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 344 469 + N_GB1_41 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 344 470 + N_GB1_41 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 344 476 + N_GB1_41 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 344 478 + N_GB1_41 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 344 484 + N_GB1_41 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 344 485 H_GB1_41 H_GB1_41 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 345 345 H_GB1_41 O_GB1_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 345 348 H_GB1_41 H_GB1_42 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 345 350 @@ -34128,101 +34128,101 @@ OD2_GB1_40 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- H_GB1_41 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 345 488 H_GB1_41 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 345 490 H_GB1_41 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 345 491 - CA_GB1_41 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 346 347 + CA_GB1_41 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 346 347 CA_GB1_41 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 346 348 - CA_GB1_41 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 346 349 - CA_GB1_41 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 346 354 - CA_GB1_41 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 346 355 - CA_GB1_41 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 346 356 - CA_GB1_41 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 346 357 + CA_GB1_41 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 346 349 + CA_GB1_41 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 346 354 + CA_GB1_41 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 346 355 + CA_GB1_41 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 346 356 + CA_GB1_41 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 346 357 CA_GB1_41 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 346 358 - CA_GB1_41 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 346 359 - CA_GB1_41 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 346 366 - CA_GB1_41 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 346 372 + CA_GB1_41 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 346 359 + CA_GB1_41 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 346 366 + CA_GB1_41 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 346 372 CA_GB1_41 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 346 373 - CA_GB1_41 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 346 374 - CA_GB1_41 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 346 378 - CA_GB1_41 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 346 380 + CA_GB1_41 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 346 374 + CA_GB1_41 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 346 378 + CA_GB1_41 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 346 380 CA_GB1_41 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 346 381 - CA_GB1_41 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 346 382 - CA_GB1_41 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 346 392 - CA_GB1_41 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 346 393 + CA_GB1_41 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 346 382 + CA_GB1_41 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 346 392 + CA_GB1_41 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 346 393 CA_GB1_41 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 346 394 - CA_GB1_41 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 346 395 - CA_GB1_41 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 346 399 - CA_GB1_41 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 346 400 - CA_GB1_41 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 346 401 - CA_GB1_41 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 346 402 + CA_GB1_41 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 346 395 + CA_GB1_41 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 346 399 + CA_GB1_41 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 346 400 + CA_GB1_41 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 346 401 + CA_GB1_41 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 346 402 CA_GB1_41 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 346 403 - CA_GB1_41 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 346 404 - CA_GB1_41 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 346 408 - CA_GB1_41 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 346 409 - CA_GB1_41 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 346 410 - CA_GB1_41 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 346 411 + CA_GB1_41 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 346 404 + CA_GB1_41 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 346 408 + CA_GB1_41 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 346 409 + CA_GB1_41 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 346 410 + CA_GB1_41 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 346 411 CA_GB1_41 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 346 412 - CA_GB1_41 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 346 413 - CA_GB1_41 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 346 417 + CA_GB1_41 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 346 413 + CA_GB1_41 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 346 417 CA_GB1_41 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 346 418 - CA_GB1_41 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 346 419 - CA_GB1_41 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 346 423 - CA_GB1_41 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 346 425 + CA_GB1_41 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 346 419 + CA_GB1_41 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 346 423 + CA_GB1_41 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 346 425 CA_GB1_41 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 346 426 - CA_GB1_41 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 346 427 - CA_GB1_41 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 346 434 - CA_GB1_41 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 346 435 + CA_GB1_41 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 346 427 + CA_GB1_41 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 346 434 + CA_GB1_41 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 346 435 CA_GB1_41 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 346 436 - CA_GB1_41 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 346 437 - CA_GB1_41 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 346 441 - CA_GB1_41 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 346 443 + CA_GB1_41 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 346 437 + CA_GB1_41 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 346 441 + CA_GB1_41 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 346 443 CA_GB1_41 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 346 444 - CA_GB1_41 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 346 445 - CA_GB1_41 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 346 455 + CA_GB1_41 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 346 445 + CA_GB1_41 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 346 455 CA_GB1_41 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 346 456 - CA_GB1_41 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 346 457 - CA_GB1_41 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 346 461 - CA_GB1_41 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 346 463 + CA_GB1_41 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 346 457 + CA_GB1_41 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 346 461 + CA_GB1_41 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 346 463 CA_GB1_41 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 346 464 - CA_GB1_41 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 346 465 - CA_GB1_41 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 346 471 + CA_GB1_41 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 346 465 + CA_GB1_41 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 346 471 CA_GB1_41 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 346 472 - CA_GB1_41 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 346 473 - CA_GB1_41 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 346 477 - CA_GB1_41 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 346 479 + CA_GB1_41 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 346 473 + CA_GB1_41 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 346 477 + CA_GB1_41 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 346 479 CA_GB1_41 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 346 480 - CA_GB1_41 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 346 481 - CA_GB1_41 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 346 486 - CA_GB1_41 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 346 487 - CA_GB1_41 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 346 488 - CA_GB1_41 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 346 489 - CA_GB1_41 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 346 490 - CA_GB1_41 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 346 491 - C_GB1_41 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 347 352 - C_GB1_41 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 347 353 - C_GB1_41 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 347 362 - C_GB1_41 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 347 377 - C_GB1_41 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 347 379 - C_GB1_41 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 347 385 - C_GB1_41 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 347 398 - C_GB1_41 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 347 407 - C_GB1_41 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 347 416 - C_GB1_41 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 347 422 - C_GB1_41 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 347 424 - C_GB1_41 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 347 430 - C_GB1_41 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 347 431 - C_GB1_41 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 347 432 - C_GB1_41 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 347 433 - C_GB1_41 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 347 440 - C_GB1_41 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 347 442 - C_GB1_41 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 347 448 - C_GB1_41 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 347 460 - C_GB1_41 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 347 462 - C_GB1_41 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 347 468 - C_GB1_41 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 347 469 - C_GB1_41 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 347 470 - C_GB1_41 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 347 476 - C_GB1_41 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 347 478 - C_GB1_41 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 347 484 - C_GB1_41 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 347 485 + CA_GB1_41 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 346 481 + CA_GB1_41 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 346 486 + CA_GB1_41 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 346 487 + CA_GB1_41 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 346 488 + CA_GB1_41 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 346 489 + CA_GB1_41 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 346 490 + CA_GB1_41 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 346 491 + C_GB1_41 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 347 352 + C_GB1_41 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 347 353 + C_GB1_41 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 347 362 + C_GB1_41 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 347 377 + C_GB1_41 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 347 379 + C_GB1_41 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 347 385 + C_GB1_41 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 347 398 + C_GB1_41 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 347 407 + C_GB1_41 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 347 416 + C_GB1_41 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 347 422 + C_GB1_41 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 347 424 + C_GB1_41 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 347 430 + C_GB1_41 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 347 431 + C_GB1_41 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 347 432 + C_GB1_41 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 347 433 + C_GB1_41 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 347 440 + C_GB1_41 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 347 442 + C_GB1_41 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 347 448 + C_GB1_41 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 347 460 + C_GB1_41 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 347 462 + C_GB1_41 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 347 468 + C_GB1_41 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 347 469 + C_GB1_41 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 347 470 + C_GB1_41 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 347 476 + C_GB1_41 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 347 478 + C_GB1_41 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 347 484 + C_GB1_41 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 347 485 O_GB1_41 O_GB1_41 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 348 348 O_GB1_41 H_GB1_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 348 350 O_GB1_41 CB_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 348 352 @@ -34290,33 +34290,33 @@ OD2_GB1_40 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- O_GB1_41 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 348 488 O_GB1_41 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 348 490 O_GB1_41 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 348 491 - N_GB1_42 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 349 352 - N_GB1_42 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 349 353 - N_GB1_42 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 349 362 - N_GB1_42 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 349 377 - N_GB1_42 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 349 379 - N_GB1_42 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 349 385 - N_GB1_42 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 349 398 - N_GB1_42 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 349 407 - N_GB1_42 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 349 416 - N_GB1_42 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 349 422 - N_GB1_42 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 349 424 - N_GB1_42 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 349 430 - N_GB1_42 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 349 431 - N_GB1_42 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 349 432 - N_GB1_42 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 349 433 - N_GB1_42 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 349 440 - N_GB1_42 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 349 442 - N_GB1_42 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 349 448 - N_GB1_42 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 349 460 - N_GB1_42 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 349 462 - N_GB1_42 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 349 468 - N_GB1_42 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 349 469 - N_GB1_42 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 349 470 - N_GB1_42 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 349 476 - N_GB1_42 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 349 478 - N_GB1_42 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 349 484 - N_GB1_42 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 349 485 + N_GB1_42 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 349 352 + N_GB1_42 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 349 353 + N_GB1_42 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 349 362 + N_GB1_42 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 349 377 + N_GB1_42 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 349 379 + N_GB1_42 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 349 385 + N_GB1_42 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 349 398 + N_GB1_42 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 349 407 + N_GB1_42 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 349 416 + N_GB1_42 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 349 422 + N_GB1_42 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 349 424 + N_GB1_42 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 349 430 + N_GB1_42 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 349 431 + N_GB1_42 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 349 432 + N_GB1_42 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 349 433 + N_GB1_42 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 349 440 + N_GB1_42 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 349 442 + N_GB1_42 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 349 448 + N_GB1_42 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 349 460 + N_GB1_42 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 349 462 + N_GB1_42 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 349 468 + N_GB1_42 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 349 469 + N_GB1_42 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 349 470 + N_GB1_42 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 349 476 + N_GB1_42 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 349 478 + N_GB1_42 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 349 484 + N_GB1_42 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 349 485 H_GB1_42 H_GB1_42 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 350 350 H_GB1_42 OE1_GB1_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 350 355 H_GB1_42 OE2_GB1_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 350 356 @@ -34362,181 +34362,181 @@ OD2_GB1_40 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- H_GB1_42 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 350 488 H_GB1_42 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 350 490 H_GB1_42 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 350 491 - CB_GB1_42 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 352 354 - CB_GB1_42 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 352 355 - CB_GB1_42 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 352 356 - CB_GB1_42 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 352 357 + CB_GB1_42 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 352 354 + CB_GB1_42 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 352 355 + CB_GB1_42 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 352 356 + CB_GB1_42 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 352 357 CB_GB1_42 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 352 358 - CB_GB1_42 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 352 359 - CB_GB1_42 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 352 366 - CB_GB1_42 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 352 372 + CB_GB1_42 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 352 359 + CB_GB1_42 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 352 366 + CB_GB1_42 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 352 372 CB_GB1_42 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 352 373 - CB_GB1_42 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 352 374 - CB_GB1_42 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 352 378 - CB_GB1_42 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 352 380 + CB_GB1_42 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 352 374 + CB_GB1_42 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 352 378 + CB_GB1_42 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 352 380 CB_GB1_42 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 352 381 - CB_GB1_42 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 352 382 - CB_GB1_42 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 352 392 - CB_GB1_42 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 352 393 + CB_GB1_42 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 352 382 + CB_GB1_42 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 352 392 + CB_GB1_42 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 352 393 CB_GB1_42 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 352 394 - CB_GB1_42 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 352 395 - CB_GB1_42 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 352 399 - CB_GB1_42 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 352 400 - CB_GB1_42 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 352 401 - CB_GB1_42 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 352 402 + CB_GB1_42 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 352 395 + CB_GB1_42 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 352 399 + CB_GB1_42 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 352 400 + CB_GB1_42 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 352 401 + CB_GB1_42 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 352 402 CB_GB1_42 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 352 403 - CB_GB1_42 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 352 404 - CB_GB1_42 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 352 408 - CB_GB1_42 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 352 409 - CB_GB1_42 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 352 410 - CB_GB1_42 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 352 411 + CB_GB1_42 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 352 404 + CB_GB1_42 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 352 408 + CB_GB1_42 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 352 409 + CB_GB1_42 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 352 410 + CB_GB1_42 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 352 411 CB_GB1_42 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 352 412 - CB_GB1_42 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 352 413 - CB_GB1_42 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 352 417 + CB_GB1_42 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 352 413 + CB_GB1_42 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 352 417 CB_GB1_42 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 352 418 - CB_GB1_42 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 352 419 - CB_GB1_42 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 352 423 - CB_GB1_42 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 352 425 + CB_GB1_42 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 352 419 + CB_GB1_42 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 352 423 + CB_GB1_42 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 352 425 CB_GB1_42 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 352 426 - CB_GB1_42 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 352 427 - CB_GB1_42 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 352 434 - CB_GB1_42 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 352 435 + CB_GB1_42 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 352 427 + CB_GB1_42 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 352 434 + CB_GB1_42 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 352 435 CB_GB1_42 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 352 436 - CB_GB1_42 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 352 437 - CB_GB1_42 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 352 441 - CB_GB1_42 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 352 443 + CB_GB1_42 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 352 437 + CB_GB1_42 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 352 441 + CB_GB1_42 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 352 443 CB_GB1_42 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 352 444 - CB_GB1_42 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 352 445 - CB_GB1_42 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 352 455 + CB_GB1_42 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 352 445 + CB_GB1_42 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 352 455 CB_GB1_42 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 352 456 - CB_GB1_42 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 352 457 - CB_GB1_42 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 352 461 - CB_GB1_42 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 352 463 + CB_GB1_42 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 352 457 + CB_GB1_42 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 352 461 + CB_GB1_42 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 352 463 CB_GB1_42 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 352 464 - CB_GB1_42 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 352 465 - CB_GB1_42 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 352 471 + CB_GB1_42 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 352 465 + CB_GB1_42 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 352 471 CB_GB1_42 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 352 472 - CB_GB1_42 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 352 473 - CB_GB1_42 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 352 477 - CB_GB1_42 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 352 479 + CB_GB1_42 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 352 473 + CB_GB1_42 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 352 477 + CB_GB1_42 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 352 479 CB_GB1_42 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 352 480 - CB_GB1_42 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 352 481 - CB_GB1_42 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 352 486 - CB_GB1_42 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 352 487 - CB_GB1_42 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 352 488 - CB_GB1_42 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 352 489 - CB_GB1_42 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 352 490 - CB_GB1_42 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 352 491 - CG_GB1_42 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 353 354 - CG_GB1_42 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 353 355 - CG_GB1_42 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 353 356 - CG_GB1_42 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 353 357 + CB_GB1_42 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 352 481 + CB_GB1_42 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 352 486 + CB_GB1_42 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 352 487 + CB_GB1_42 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 352 488 + CB_GB1_42 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 352 489 + CB_GB1_42 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 352 490 + CB_GB1_42 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 352 491 + CG_GB1_42 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 353 354 + CG_GB1_42 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 353 355 + CG_GB1_42 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 353 356 + CG_GB1_42 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 353 357 CG_GB1_42 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 353 358 - CG_GB1_42 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 353 359 - CG_GB1_42 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 353 366 - CG_GB1_42 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 353 372 + CG_GB1_42 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 353 359 + CG_GB1_42 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 353 366 + CG_GB1_42 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 353 372 CG_GB1_42 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 353 373 - CG_GB1_42 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 353 374 - CG_GB1_42 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 353 378 - CG_GB1_42 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 353 380 + CG_GB1_42 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 353 374 + CG_GB1_42 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 353 378 + CG_GB1_42 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 353 380 CG_GB1_42 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 353 381 - CG_GB1_42 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 353 382 - CG_GB1_42 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 353 392 - CG_GB1_42 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 353 393 + CG_GB1_42 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 353 382 + CG_GB1_42 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 353 392 + CG_GB1_42 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 353 393 CG_GB1_42 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 353 394 - CG_GB1_42 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 353 395 - CG_GB1_42 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 353 399 - CG_GB1_42 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 353 400 - CG_GB1_42 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 353 401 - CG_GB1_42 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 353 402 + CG_GB1_42 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 353 395 + CG_GB1_42 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 353 399 + CG_GB1_42 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 353 400 + CG_GB1_42 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 353 401 + CG_GB1_42 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 353 402 CG_GB1_42 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 353 403 - CG_GB1_42 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 353 404 - CG_GB1_42 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 353 408 - CG_GB1_42 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 353 409 - CG_GB1_42 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 353 410 - CG_GB1_42 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 353 411 + CG_GB1_42 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 353 404 + CG_GB1_42 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 353 408 + CG_GB1_42 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 353 409 + CG_GB1_42 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 353 410 + CG_GB1_42 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 353 411 CG_GB1_42 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 353 412 - CG_GB1_42 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 353 413 - CG_GB1_42 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 353 417 + CG_GB1_42 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 353 413 + CG_GB1_42 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 353 417 CG_GB1_42 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 353 418 - CG_GB1_42 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 353 419 - CG_GB1_42 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 353 423 - CG_GB1_42 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 353 425 + CG_GB1_42 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 353 419 + CG_GB1_42 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 353 423 + CG_GB1_42 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 353 425 CG_GB1_42 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 353 426 - CG_GB1_42 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 353 427 - CG_GB1_42 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 353 434 - CG_GB1_42 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 353 435 + CG_GB1_42 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 353 427 + CG_GB1_42 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 353 434 + CG_GB1_42 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 353 435 CG_GB1_42 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 353 436 - CG_GB1_42 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 353 437 - CG_GB1_42 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 353 441 - CG_GB1_42 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 353 443 + CG_GB1_42 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 353 437 + CG_GB1_42 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 353 441 + CG_GB1_42 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 353 443 CG_GB1_42 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 353 444 - CG_GB1_42 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 353 445 - CG_GB1_42 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 353 455 + CG_GB1_42 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 353 445 + CG_GB1_42 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 353 455 CG_GB1_42 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 353 456 - CG_GB1_42 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 353 457 - CG_GB1_42 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 353 461 - CG_GB1_42 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 353 463 + CG_GB1_42 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 353 457 + CG_GB1_42 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 353 461 + CG_GB1_42 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 353 463 CG_GB1_42 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 353 464 - CG_GB1_42 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 353 465 - CG_GB1_42 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 353 471 + CG_GB1_42 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 353 465 + CG_GB1_42 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 353 471 CG_GB1_42 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 353 472 - CG_GB1_42 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 353 473 - CG_GB1_42 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 353 477 - CG_GB1_42 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 353 479 + CG_GB1_42 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 353 473 + CG_GB1_42 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 353 477 + CG_GB1_42 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 353 479 CG_GB1_42 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 353 480 - CG_GB1_42 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 353 481 - CG_GB1_42 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 353 486 - CG_GB1_42 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 353 487 - CG_GB1_42 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 353 488 - CG_GB1_42 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 353 489 - CG_GB1_42 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 353 490 - CG_GB1_42 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 353 491 - CD_GB1_42 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 354 362 - CD_GB1_42 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 354 377 - CD_GB1_42 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 354 379 - CD_GB1_42 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 354 385 - CD_GB1_42 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 354 398 - CD_GB1_42 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 354 407 - CD_GB1_42 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 354 416 - CD_GB1_42 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 354 422 - CD_GB1_42 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 354 424 - CD_GB1_42 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 354 430 - CD_GB1_42 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 354 431 - CD_GB1_42 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 354 432 - CD_GB1_42 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 354 433 - CD_GB1_42 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 354 440 - CD_GB1_42 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 354 442 - CD_GB1_42 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 354 448 - CD_GB1_42 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 354 460 - CD_GB1_42 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 354 462 - CD_GB1_42 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 354 468 - CD_GB1_42 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 354 469 - CD_GB1_42 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 354 470 - CD_GB1_42 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 354 476 - CD_GB1_42 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 354 478 - CD_GB1_42 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 354 484 - CD_GB1_42 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 354 485 + CG_GB1_42 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 353 481 + CG_GB1_42 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 353 486 + CG_GB1_42 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 353 487 + CG_GB1_42 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 353 488 + CG_GB1_42 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 353 489 + CG_GB1_42 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 353 490 + CG_GB1_42 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 353 491 + CD_GB1_42 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 354 362 + CD_GB1_42 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 354 377 + CD_GB1_42 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 354 379 + CD_GB1_42 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 354 385 + CD_GB1_42 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 354 398 + CD_GB1_42 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 354 407 + CD_GB1_42 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 354 416 + CD_GB1_42 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 354 422 + CD_GB1_42 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 354 424 + CD_GB1_42 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 354 430 + CD_GB1_42 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 354 431 + CD_GB1_42 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 354 432 + CD_GB1_42 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 354 433 + CD_GB1_42 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 354 440 + CD_GB1_42 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 354 442 + CD_GB1_42 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 354 448 + CD_GB1_42 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 354 460 + CD_GB1_42 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 354 462 + CD_GB1_42 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 354 468 + CD_GB1_42 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 354 469 + CD_GB1_42 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 354 470 + CD_GB1_42 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 354 476 + CD_GB1_42 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 354 478 + CD_GB1_42 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 354 484 + CD_GB1_42 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 354 485 OE1_GB1_42 OE1_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 355 355 OE1_GB1_42 OE2_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 355 356 OE1_GB1_42 O_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 355 358 OE1_GB1_42 H_GB1_43 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 355 360 -OE1_GB1_42 CB_GB1_43 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 355 362 +OE1_GB1_42 CB_GB1_43 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 355 362 OE1_GB1_42 O_GB1_43 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 355 373 OE1_GB1_42 H_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 355 375 -OE1_GB1_42 CB_GB1_44 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 355 377 +OE1_GB1_42 CB_GB1_44 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 355 377 OE1_GB1_42 CG2_GB1_44 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 355 379 OE1_GB1_42 O_GB1_44 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 355 381 OE1_GB1_42 H_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 355 383 -OE1_GB1_42 CB_GB1_45 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 355 385 +OE1_GB1_42 CB_GB1_45 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 355 385 OE1_GB1_42 O_GB1_45 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 355 394 OE1_GB1_42 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 355 396 -OE1_GB1_42 CB_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 355 398 +OE1_GB1_42 CB_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 355 398 OE1_GB1_42 OD1_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 355 400 OE1_GB1_42 OD2_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 355 401 OE1_GB1_42 O_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 355 403 OE1_GB1_42 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 355 405 -OE1_GB1_42 CB_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 355 407 +OE1_GB1_42 CB_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 355 407 OE1_GB1_42 OD1_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 355 409 OE1_GB1_42 OD2_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 355 410 OE1_GB1_42 O_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 355 412 @@ -34544,38 +34544,38 @@ OE1_GB1_42 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e- OE1_GB1_42 CB_GB1_48 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 355 416 OE1_GB1_42 O_GB1_48 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 355 418 OE1_GB1_42 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 355 420 -OE1_GB1_42 CB_GB1_49 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 355 422 +OE1_GB1_42 CB_GB1_49 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 355 422 OE1_GB1_42 CG2_GB1_49 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 355 424 OE1_GB1_42 O_GB1_49 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 355 426 OE1_GB1_42 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 355 428 -OE1_GB1_42 CB_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 355 430 -OE1_GB1_42 CG_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 355 431 -OE1_GB1_42 CD_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 355 432 -OE1_GB1_42 CE_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 355 433 +OE1_GB1_42 CB_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 355 430 +OE1_GB1_42 CG_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 355 431 +OE1_GB1_42 CD_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 355 432 +OE1_GB1_42 CE_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 355 433 OE1_GB1_42 O_GB1_50 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 355 436 OE1_GB1_42 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 355 438 -OE1_GB1_42 CB_GB1_51 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 355 440 +OE1_GB1_42 CB_GB1_51 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 355 440 OE1_GB1_42 CG2_GB1_51 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 355 442 OE1_GB1_42 O_GB1_51 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 355 444 OE1_GB1_42 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 355 446 -OE1_GB1_42 CB_GB1_52 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 355 448 +OE1_GB1_42 CB_GB1_52 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 355 448 OE1_GB1_42 O_GB1_52 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 355 456 OE1_GB1_42 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 355 458 -OE1_GB1_42 CB_GB1_53 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 355 460 +OE1_GB1_42 CB_GB1_53 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 355 460 OE1_GB1_42 CG2_GB1_53 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 355 462 OE1_GB1_42 O_GB1_53 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 355 464 OE1_GB1_42 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 355 466 -OE1_GB1_42 CB_GB1_54 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 355 468 +OE1_GB1_42 CB_GB1_54 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 355 468 OE1_GB1_42 CG1_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 355 469 OE1_GB1_42 CG2_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 355 470 OE1_GB1_42 O_GB1_54 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 355 472 OE1_GB1_42 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 355 474 -OE1_GB1_42 CB_GB1_55 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 355 476 +OE1_GB1_42 CB_GB1_55 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 355 476 OE1_GB1_42 CG2_GB1_55 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 355 478 OE1_GB1_42 O_GB1_55 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 355 480 OE1_GB1_42 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 355 482 -OE1_GB1_42 CB_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 355 484 -OE1_GB1_42 CG_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 355 485 +OE1_GB1_42 CB_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 355 484 +OE1_GB1_42 CG_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 355 485 OE1_GB1_42 OE1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 355 487 OE1_GB1_42 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 355 488 OE1_GB1_42 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 355 490 @@ -34583,22 +34583,22 @@ OE1_GB1_42 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- OE2_GB1_42 OE2_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 356 356 OE2_GB1_42 O_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 356 358 OE2_GB1_42 H_GB1_43 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 356 360 -OE2_GB1_42 CB_GB1_43 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 356 362 +OE2_GB1_42 CB_GB1_43 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 356 362 OE2_GB1_42 O_GB1_43 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 356 373 OE2_GB1_42 H_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 356 375 -OE2_GB1_42 CB_GB1_44 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 356 377 +OE2_GB1_42 CB_GB1_44 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 356 377 OE2_GB1_42 CG2_GB1_44 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 356 379 OE2_GB1_42 O_GB1_44 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 356 381 OE2_GB1_42 H_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 356 383 -OE2_GB1_42 CB_GB1_45 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 356 385 +OE2_GB1_42 CB_GB1_45 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 356 385 OE2_GB1_42 O_GB1_45 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 356 394 OE2_GB1_42 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 356 396 -OE2_GB1_42 CB_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 356 398 +OE2_GB1_42 CB_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 356 398 OE2_GB1_42 OD1_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 356 400 OE2_GB1_42 OD2_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 356 401 OE2_GB1_42 O_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 356 403 OE2_GB1_42 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 356 405 -OE2_GB1_42 CB_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 356 407 +OE2_GB1_42 CB_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 356 407 OE2_GB1_42 OD1_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 356 409 OE2_GB1_42 OD2_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 356 410 OE2_GB1_42 O_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 356 412 @@ -34606,67 +34606,67 @@ OE2_GB1_42 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e- OE2_GB1_42 CB_GB1_48 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 356 416 OE2_GB1_42 O_GB1_48 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 356 418 OE2_GB1_42 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 356 420 -OE2_GB1_42 CB_GB1_49 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 356 422 +OE2_GB1_42 CB_GB1_49 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 356 422 OE2_GB1_42 CG2_GB1_49 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 356 424 OE2_GB1_42 O_GB1_49 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 356 426 OE2_GB1_42 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 356 428 -OE2_GB1_42 CB_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 356 430 -OE2_GB1_42 CG_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 356 431 -OE2_GB1_42 CD_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 356 432 -OE2_GB1_42 CE_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 356 433 +OE2_GB1_42 CB_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 356 430 +OE2_GB1_42 CG_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 356 431 +OE2_GB1_42 CD_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 356 432 +OE2_GB1_42 CE_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 356 433 OE2_GB1_42 O_GB1_50 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 356 436 OE2_GB1_42 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 356 438 -OE2_GB1_42 CB_GB1_51 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 356 440 +OE2_GB1_42 CB_GB1_51 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 356 440 OE2_GB1_42 CG2_GB1_51 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 356 442 OE2_GB1_42 O_GB1_51 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 356 444 OE2_GB1_42 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 356 446 -OE2_GB1_42 CB_GB1_52 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 356 448 +OE2_GB1_42 CB_GB1_52 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 356 448 OE2_GB1_42 O_GB1_52 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 356 456 OE2_GB1_42 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 356 458 -OE2_GB1_42 CB_GB1_53 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 356 460 +OE2_GB1_42 CB_GB1_53 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 356 460 OE2_GB1_42 CG2_GB1_53 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 356 462 OE2_GB1_42 O_GB1_53 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 356 464 OE2_GB1_42 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 356 466 -OE2_GB1_42 CB_GB1_54 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 356 468 +OE2_GB1_42 CB_GB1_54 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 356 468 OE2_GB1_42 CG1_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 356 469 OE2_GB1_42 CG2_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 356 470 OE2_GB1_42 O_GB1_54 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 356 472 OE2_GB1_42 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 356 474 -OE2_GB1_42 CB_GB1_55 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 356 476 +OE2_GB1_42 CB_GB1_55 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 356 476 OE2_GB1_42 CG2_GB1_55 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 356 478 OE2_GB1_42 O_GB1_55 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 356 480 OE2_GB1_42 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 356 482 -OE2_GB1_42 CB_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 356 484 -OE2_GB1_42 CG_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 356 485 +OE2_GB1_42 CB_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 356 484 +OE2_GB1_42 CG_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 356 485 OE2_GB1_42 OE1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 356 487 OE2_GB1_42 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 356 488 OE2_GB1_42 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 356 490 OE2_GB1_42 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 356 491 - C_GB1_42 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 357 362 - C_GB1_42 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 357 377 - C_GB1_42 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 357 379 - C_GB1_42 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 357 385 - C_GB1_42 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 357 398 - C_GB1_42 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 357 407 - C_GB1_42 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 357 416 - C_GB1_42 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 357 422 - C_GB1_42 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 357 424 - C_GB1_42 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 357 430 - C_GB1_42 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 357 431 - C_GB1_42 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 357 432 - C_GB1_42 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 357 433 - C_GB1_42 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 357 440 - C_GB1_42 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 357 442 - C_GB1_42 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 357 448 - C_GB1_42 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 357 460 - C_GB1_42 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 357 462 - C_GB1_42 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 357 468 - C_GB1_42 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 357 469 - C_GB1_42 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 357 470 - C_GB1_42 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 357 476 - C_GB1_42 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 357 478 - C_GB1_42 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 357 484 - C_GB1_42 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 357 485 + C_GB1_42 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 357 362 + C_GB1_42 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 357 377 + C_GB1_42 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 357 379 + C_GB1_42 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 357 385 + C_GB1_42 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 357 398 + C_GB1_42 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 357 407 + C_GB1_42 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 357 416 + C_GB1_42 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 357 422 + C_GB1_42 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 357 424 + C_GB1_42 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 357 430 + C_GB1_42 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 357 431 + C_GB1_42 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 357 432 + C_GB1_42 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 357 433 + C_GB1_42 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 357 440 + C_GB1_42 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 357 442 + C_GB1_42 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 357 448 + C_GB1_42 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 357 460 + C_GB1_42 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 357 462 + C_GB1_42 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 357 468 + C_GB1_42 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 357 469 + C_GB1_42 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 357 470 + C_GB1_42 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 357 476 + C_GB1_42 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 357 478 + C_GB1_42 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 357 484 + C_GB1_42 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 357 485 O_GB1_42 O_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 358 358 O_GB1_42 H_GB1_43 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 358 360 O_GB1_42 CB_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 358 362 @@ -34728,31 +34728,31 @@ OE2_GB1_42 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- O_GB1_42 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 358 488 O_GB1_42 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 358 490 O_GB1_42 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 358 491 - N_GB1_43 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 359 362 - N_GB1_43 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 359 377 - N_GB1_43 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 359 379 - N_GB1_43 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 359 385 - N_GB1_43 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 359 398 - N_GB1_43 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 359 407 - N_GB1_43 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 359 416 - N_GB1_43 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 359 422 - N_GB1_43 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 359 424 - N_GB1_43 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 359 430 - N_GB1_43 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 359 431 - N_GB1_43 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 359 432 - N_GB1_43 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 359 433 - N_GB1_43 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 359 440 - N_GB1_43 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 359 442 - N_GB1_43 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 359 448 - N_GB1_43 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 359 460 - N_GB1_43 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 359 462 - N_GB1_43 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 359 468 - N_GB1_43 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 359 469 - N_GB1_43 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 359 470 - N_GB1_43 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 359 476 - N_GB1_43 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 359 478 - N_GB1_43 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 359 484 - N_GB1_43 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 359 485 + N_GB1_43 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 359 362 + N_GB1_43 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 359 377 + N_GB1_43 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 359 379 + N_GB1_43 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 359 385 + N_GB1_43 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 359 398 + N_GB1_43 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 359 407 + N_GB1_43 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 359 416 + N_GB1_43 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 359 422 + N_GB1_43 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 359 424 + N_GB1_43 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 359 430 + N_GB1_43 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 359 431 + N_GB1_43 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 359 432 + N_GB1_43 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 359 433 + N_GB1_43 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 359 440 + N_GB1_43 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 359 442 + N_GB1_43 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 359 448 + N_GB1_43 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 359 460 + N_GB1_43 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 359 462 + N_GB1_43 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 359 468 + N_GB1_43 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 359 469 + N_GB1_43 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 359 470 + N_GB1_43 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 359 476 + N_GB1_43 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 359 478 + N_GB1_43 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 359 484 + N_GB1_43 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 359 485 H_GB1_43 H_GB1_43 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 360 360 H_GB1_43 O_GB1_43 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 360 373 H_GB1_43 H_GB1_44 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 360 375 @@ -34794,113 +34794,113 @@ OE2_GB1_42 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- H_GB1_43 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 360 488 H_GB1_43 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 360 490 H_GB1_43 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 360 491 - CB_GB1_43 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 362 366 - CB_GB1_43 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 362 372 + CB_GB1_43 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 362 366 + CB_GB1_43 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 362 372 CB_GB1_43 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 362 373 - CB_GB1_43 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 362 374 - CB_GB1_43 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 362 378 - CB_GB1_43 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 362 380 + CB_GB1_43 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 362 374 + CB_GB1_43 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 362 378 + CB_GB1_43 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 362 380 CB_GB1_43 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 362 381 - CB_GB1_43 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 362 382 - CB_GB1_43 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 362 392 - CB_GB1_43 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 362 393 + CB_GB1_43 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 362 382 + CB_GB1_43 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 362 392 + CB_GB1_43 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 362 393 CB_GB1_43 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 362 394 - CB_GB1_43 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 362 395 - CB_GB1_43 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 362 399 - CB_GB1_43 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 362 400 - CB_GB1_43 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 362 401 - CB_GB1_43 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 362 402 + CB_GB1_43 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 362 395 + CB_GB1_43 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 362 399 + CB_GB1_43 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 362 400 + CB_GB1_43 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 362 401 + CB_GB1_43 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 362 402 CB_GB1_43 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 362 403 - CB_GB1_43 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 362 404 - CB_GB1_43 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 362 408 - CB_GB1_43 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 362 409 - CB_GB1_43 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 362 410 - CB_GB1_43 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 362 411 + CB_GB1_43 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 362 404 + CB_GB1_43 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 362 408 + CB_GB1_43 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 362 409 + CB_GB1_43 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 362 410 + CB_GB1_43 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 362 411 CB_GB1_43 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 362 412 - CB_GB1_43 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 362 413 - CB_GB1_43 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 362 417 + CB_GB1_43 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 362 413 + CB_GB1_43 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 362 417 CB_GB1_43 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 362 418 - CB_GB1_43 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 362 419 - CB_GB1_43 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 362 423 - CB_GB1_43 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 362 425 + CB_GB1_43 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 362 419 + CB_GB1_43 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 362 423 + CB_GB1_43 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 362 425 CB_GB1_43 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 362 426 - CB_GB1_43 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 362 427 - CB_GB1_43 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 362 434 - CB_GB1_43 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 362 435 + CB_GB1_43 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 362 427 + CB_GB1_43 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 362 434 + CB_GB1_43 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 362 435 CB_GB1_43 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 362 436 - CB_GB1_43 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 362 437 - CB_GB1_43 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 362 441 - CB_GB1_43 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 362 443 + CB_GB1_43 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 362 437 + CB_GB1_43 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 362 441 + CB_GB1_43 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 362 443 CB_GB1_43 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 362 444 - CB_GB1_43 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 362 445 - CB_GB1_43 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 362 455 + CB_GB1_43 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 362 445 + CB_GB1_43 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 362 455 CB_GB1_43 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 362 456 - CB_GB1_43 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 362 457 - CB_GB1_43 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 362 461 - CB_GB1_43 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 362 463 + CB_GB1_43 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 362 457 + CB_GB1_43 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 362 461 + CB_GB1_43 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 362 463 CB_GB1_43 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 362 464 - CB_GB1_43 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 362 465 - CB_GB1_43 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 362 471 + CB_GB1_43 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 362 465 + CB_GB1_43 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 362 471 CB_GB1_43 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 362 472 - CB_GB1_43 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 362 473 - CB_GB1_43 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 362 477 - CB_GB1_43 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 362 479 + CB_GB1_43 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 362 473 + CB_GB1_43 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 362 477 + CB_GB1_43 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 362 479 CB_GB1_43 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 362 480 - CB_GB1_43 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 362 481 - CB_GB1_43 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 362 486 - CB_GB1_43 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 362 487 - CB_GB1_43 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 362 488 - CB_GB1_43 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 362 489 - CB_GB1_43 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 362 490 - CB_GB1_43 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 362 491 -NE1_GB1_43 CB_GB1_44 1 0.000000e+00 9.937288e-06 ; 8.853117e-06 -9.937288e-06 1.0 1.0 1.0 1.0 False mg 7 366 377 -NE1_GB1_43 CG2_GB1_44 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.0 1.0 1.0 1.0 False mg 7 366 379 -NE1_GB1_43 CB_GB1_45 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 366 385 -NE1_GB1_43 CB_GB1_46 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 366 398 -NE1_GB1_43 CB_GB1_47 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 366 407 -NE1_GB1_43 CB_GB1_48 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.0 1.0 1.0 1.0 False mg 7 366 416 -NE1_GB1_43 CB_GB1_49 1 0.000000e+00 9.937288e-06 ; 8.853117e-06 -9.937288e-06 1.0 1.0 1.0 1.0 False mg 7 366 422 -NE1_GB1_43 CG2_GB1_49 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.0 1.0 1.0 1.0 False mg 7 366 424 -NE1_GB1_43 CB_GB1_50 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 366 430 -NE1_GB1_43 CG_GB1_50 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 366 431 -NE1_GB1_43 CD_GB1_50 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 366 432 -NE1_GB1_43 CE_GB1_50 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 366 433 -NE1_GB1_43 CB_GB1_51 1 0.000000e+00 9.937288e-06 ; 8.853117e-06 -9.937288e-06 1.0 1.0 1.0 1.0 False mg 7 366 440 -NE1_GB1_43 CG2_GB1_51 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.0 1.0 1.0 1.0 False mg 7 366 442 -NE1_GB1_43 CB_GB1_52 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 366 448 -NE1_GB1_43 CB_GB1_53 1 0.000000e+00 9.937288e-06 ; 8.853117e-06 -9.937288e-06 1.0 1.0 1.0 1.0 False mg 7 366 460 -NE1_GB1_43 CG2_GB1_53 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.0 1.0 1.0 1.0 False mg 7 366 462 -NE1_GB1_43 CB_GB1_54 1 0.000000e+00 9.937288e-06 ; 8.853117e-06 -9.937288e-06 1.0 1.0 1.0 1.0 False mg 7 366 468 -NE1_GB1_43 CG1_GB1_54 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.0 1.0 1.0 1.0 False mg 7 366 469 -NE1_GB1_43 CG2_GB1_54 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.0 1.0 1.0 1.0 False mg 7 366 470 -NE1_GB1_43 CB_GB1_55 1 0.000000e+00 9.937288e-06 ; 8.853117e-06 -9.937288e-06 1.0 1.0 1.0 1.0 False mg 7 366 476 -NE1_GB1_43 CG2_GB1_55 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.0 1.0 1.0 1.0 False mg 7 366 478 -NE1_GB1_43 CB_GB1_56 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 366 484 -NE1_GB1_43 CG_GB1_56 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.0 1.0 1.0 1.0 False mg 7 366 485 - C_GB1_43 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 372 377 - C_GB1_43 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 372 379 - C_GB1_43 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 372 385 - C_GB1_43 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 372 398 - C_GB1_43 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 372 407 - C_GB1_43 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 372 416 - C_GB1_43 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 372 422 - C_GB1_43 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 372 424 - C_GB1_43 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 372 430 - C_GB1_43 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 372 431 - C_GB1_43 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 372 432 - C_GB1_43 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 372 433 - C_GB1_43 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 372 440 - C_GB1_43 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 372 442 - C_GB1_43 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 372 448 - C_GB1_43 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 372 460 - C_GB1_43 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 372 462 - C_GB1_43 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 372 468 - C_GB1_43 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 372 469 - C_GB1_43 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 372 470 - C_GB1_43 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 372 476 - C_GB1_43 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 372 478 - C_GB1_43 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 372 484 - C_GB1_43 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 372 485 + CB_GB1_43 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 362 481 + CB_GB1_43 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 362 486 + CB_GB1_43 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 362 487 + CB_GB1_43 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 362 488 + CB_GB1_43 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 362 489 + CB_GB1_43 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 362 490 + CB_GB1_43 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 362 491 +NE1_GB1_43 CB_GB1_44 1 0.000000e+00 9.937231e-06 ; 8.853066e-06 -9.937231e-06 1.0 1.0 1.0 1.0 False mg 7 366 377 +NE1_GB1_43 CG2_GB1_44 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.0 1.0 1.0 1.0 False mg 7 366 379 +NE1_GB1_43 CB_GB1_45 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 366 385 +NE1_GB1_43 CB_GB1_46 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 366 398 +NE1_GB1_43 CB_GB1_47 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 366 407 +NE1_GB1_43 CB_GB1_48 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.0 1.0 1.0 1.0 False mg 7 366 416 +NE1_GB1_43 CB_GB1_49 1 0.000000e+00 9.937231e-06 ; 8.853066e-06 -9.937231e-06 1.0 1.0 1.0 1.0 False mg 7 366 422 +NE1_GB1_43 CG2_GB1_49 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.0 1.0 1.0 1.0 False mg 7 366 424 +NE1_GB1_43 CB_GB1_50 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 366 430 +NE1_GB1_43 CG_GB1_50 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 366 431 +NE1_GB1_43 CD_GB1_50 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 366 432 +NE1_GB1_43 CE_GB1_50 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 366 433 +NE1_GB1_43 CB_GB1_51 1 0.000000e+00 9.937231e-06 ; 8.853066e-06 -9.937231e-06 1.0 1.0 1.0 1.0 False mg 7 366 440 +NE1_GB1_43 CG2_GB1_51 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.0 1.0 1.0 1.0 False mg 7 366 442 +NE1_GB1_43 CB_GB1_52 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 366 448 +NE1_GB1_43 CB_GB1_53 1 0.000000e+00 9.937231e-06 ; 8.853066e-06 -9.937231e-06 1.0 1.0 1.0 1.0 False mg 7 366 460 +NE1_GB1_43 CG2_GB1_53 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.0 1.0 1.0 1.0 False mg 7 366 462 +NE1_GB1_43 CB_GB1_54 1 0.000000e+00 9.937231e-06 ; 8.853066e-06 -9.937231e-06 1.0 1.0 1.0 1.0 False mg 7 366 468 +NE1_GB1_43 CG1_GB1_54 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.0 1.0 1.0 1.0 False mg 7 366 469 +NE1_GB1_43 CG2_GB1_54 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.0 1.0 1.0 1.0 False mg 7 366 470 +NE1_GB1_43 CB_GB1_55 1 0.000000e+00 9.937231e-06 ; 8.853066e-06 -9.937231e-06 1.0 1.0 1.0 1.0 False mg 7 366 476 +NE1_GB1_43 CG2_GB1_55 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.0 1.0 1.0 1.0 False mg 7 366 478 +NE1_GB1_43 CB_GB1_56 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 366 484 +NE1_GB1_43 CG_GB1_56 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.0 1.0 1.0 1.0 False mg 7 366 485 + C_GB1_43 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 372 377 + C_GB1_43 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 372 379 + C_GB1_43 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 372 385 + C_GB1_43 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 372 398 + C_GB1_43 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 372 407 + C_GB1_43 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 372 416 + C_GB1_43 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 372 422 + C_GB1_43 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 372 424 + C_GB1_43 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 372 430 + C_GB1_43 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 372 431 + C_GB1_43 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 372 432 + C_GB1_43 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 372 433 + C_GB1_43 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 372 440 + C_GB1_43 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 372 442 + C_GB1_43 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 372 448 + C_GB1_43 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 372 460 + C_GB1_43 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 372 462 + C_GB1_43 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 372 468 + C_GB1_43 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 372 469 + C_GB1_43 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 372 470 + C_GB1_43 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 372 476 + C_GB1_43 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 372 478 + C_GB1_43 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 372 484 + C_GB1_43 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 372 485 O_GB1_43 O_GB1_43 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 373 373 O_GB1_43 H_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 373 375 O_GB1_43 CB_GB1_44 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 373 377 @@ -34959,30 +34959,30 @@ NE1_GB1_43 CG_GB1_56 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e- O_GB1_43 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 373 488 O_GB1_43 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 373 490 O_GB1_43 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 373 491 - N_GB1_44 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 374 377 - N_GB1_44 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 374 379 - N_GB1_44 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 374 385 - N_GB1_44 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 374 398 - N_GB1_44 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 374 407 - N_GB1_44 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 374 416 - N_GB1_44 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 374 422 - N_GB1_44 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 374 424 - N_GB1_44 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 374 430 - N_GB1_44 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 374 431 - N_GB1_44 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 374 432 - N_GB1_44 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 374 433 - N_GB1_44 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 374 440 - N_GB1_44 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 374 442 - N_GB1_44 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 374 448 - N_GB1_44 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 374 460 - N_GB1_44 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 374 462 - N_GB1_44 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 374 468 - N_GB1_44 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 374 469 - N_GB1_44 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 374 470 - N_GB1_44 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 374 476 - N_GB1_44 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 374 478 - N_GB1_44 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 374 484 - N_GB1_44 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 374 485 + N_GB1_44 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 374 377 + N_GB1_44 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 374 379 + N_GB1_44 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 374 385 + N_GB1_44 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 374 398 + N_GB1_44 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 374 407 + N_GB1_44 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 374 416 + N_GB1_44 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 374 422 + N_GB1_44 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 374 424 + N_GB1_44 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 374 430 + N_GB1_44 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 374 431 + N_GB1_44 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 374 432 + N_GB1_44 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 374 433 + N_GB1_44 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 374 440 + N_GB1_44 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 374 442 + N_GB1_44 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 374 448 + N_GB1_44 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 374 460 + N_GB1_44 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 374 462 + N_GB1_44 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 374 468 + N_GB1_44 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 374 469 + N_GB1_44 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 374 470 + N_GB1_44 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 374 476 + N_GB1_44 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 374 478 + N_GB1_44 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 374 484 + N_GB1_44 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 374 485 H_GB1_44 H_GB1_44 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 375 375 H_GB1_44 OG1_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 375 378 H_GB1_44 O_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 375 381 @@ -35022,172 +35022,172 @@ NE1_GB1_43 CG_GB1_56 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e- H_GB1_44 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 375 488 H_GB1_44 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 375 490 H_GB1_44 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 375 491 - CB_GB1_44 OG1_GB1_44 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 377 378 - CB_GB1_44 C_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 377 380 + CB_GB1_44 OG1_GB1_44 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 377 378 + CB_GB1_44 C_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 377 380 CB_GB1_44 O_GB1_44 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 377 381 - CB_GB1_44 N_GB1_45 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 377 382 - CB_GB1_44 OH_GB1_45 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 377 392 - CB_GB1_44 C_GB1_45 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 377 393 + CB_GB1_44 N_GB1_45 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 377 382 + CB_GB1_44 OH_GB1_45 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 377 392 + CB_GB1_44 C_GB1_45 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 377 393 CB_GB1_44 O_GB1_45 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 377 394 - CB_GB1_44 N_GB1_46 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 377 395 - CB_GB1_44 CG_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 377 399 - CB_GB1_44 OD1_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 377 400 - CB_GB1_44 OD2_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 377 401 - CB_GB1_44 C_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 377 402 + CB_GB1_44 N_GB1_46 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 377 395 + CB_GB1_44 CG_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 377 399 + CB_GB1_44 OD1_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 377 400 + CB_GB1_44 OD2_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 377 401 + CB_GB1_44 C_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 377 402 CB_GB1_44 O_GB1_46 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 377 403 - CB_GB1_44 N_GB1_47 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 377 404 - CB_GB1_44 CG_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 377 408 - CB_GB1_44 OD1_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 377 409 - CB_GB1_44 OD2_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 377 410 - CB_GB1_44 C_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 377 411 + CB_GB1_44 N_GB1_47 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 377 404 + CB_GB1_44 CG_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 377 408 + CB_GB1_44 OD1_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 377 409 + CB_GB1_44 OD2_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 377 410 + CB_GB1_44 C_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 377 411 CB_GB1_44 O_GB1_47 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 377 412 - CB_GB1_44 N_GB1_48 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 377 413 - CB_GB1_44 C_GB1_48 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 377 417 + CB_GB1_44 N_GB1_48 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 377 413 + CB_GB1_44 C_GB1_48 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 377 417 CB_GB1_44 O_GB1_48 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 377 418 - CB_GB1_44 N_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 377 419 - CB_GB1_44 OG1_GB1_49 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 377 423 - CB_GB1_44 C_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 377 425 + CB_GB1_44 N_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 377 419 + CB_GB1_44 OG1_GB1_49 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 377 423 + CB_GB1_44 C_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 377 425 CB_GB1_44 O_GB1_49 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 377 426 - CB_GB1_44 N_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 377 427 - CB_GB1_44 NZ_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 377 434 - CB_GB1_44 C_GB1_50 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 377 435 + CB_GB1_44 N_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 377 427 + CB_GB1_44 NZ_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 377 434 + CB_GB1_44 C_GB1_50 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 377 435 CB_GB1_44 O_GB1_50 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 377 436 - CB_GB1_44 N_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 377 437 - CB_GB1_44 OG1_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 377 441 - CB_GB1_44 C_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 377 443 + CB_GB1_44 N_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 377 437 + CB_GB1_44 OG1_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 377 441 + CB_GB1_44 C_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 377 443 CB_GB1_44 O_GB1_51 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 377 444 - CB_GB1_44 N_GB1_52 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 377 445 - CB_GB1_44 C_GB1_52 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 377 455 + CB_GB1_44 N_GB1_52 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 377 445 + CB_GB1_44 C_GB1_52 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 377 455 CB_GB1_44 O_GB1_52 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 377 456 - CB_GB1_44 N_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 377 457 - CB_GB1_44 OG1_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 377 461 - CB_GB1_44 C_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 377 463 + CB_GB1_44 N_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 377 457 + CB_GB1_44 OG1_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 377 461 + CB_GB1_44 C_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 377 463 CB_GB1_44 O_GB1_53 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 377 464 - CB_GB1_44 N_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 377 465 - CB_GB1_44 C_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 377 471 + CB_GB1_44 N_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 377 465 + CB_GB1_44 C_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 377 471 CB_GB1_44 O_GB1_54 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 377 472 - CB_GB1_44 N_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 377 473 - CB_GB1_44 OG1_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 377 477 - CB_GB1_44 C_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 377 479 + CB_GB1_44 N_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 377 473 + CB_GB1_44 OG1_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 377 477 + CB_GB1_44 C_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 377 479 CB_GB1_44 O_GB1_55 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 377 480 - CB_GB1_44 N_GB1_56 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 377 481 - CB_GB1_44 CD_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 377 486 - CB_GB1_44 OE1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 377 487 - CB_GB1_44 OE2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 377 488 - CB_GB1_44 C_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 377 489 - CB_GB1_44 O1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 377 490 - CB_GB1_44 O2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 377 491 -OG1_GB1_44 CG2_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 378 379 + CB_GB1_44 N_GB1_56 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 377 481 + CB_GB1_44 CD_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 377 486 + CB_GB1_44 OE1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 377 487 + CB_GB1_44 OE2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 377 488 + CB_GB1_44 C_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 377 489 + CB_GB1_44 O1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 377 490 + CB_GB1_44 O2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 377 491 +OG1_GB1_44 CG2_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 378 379 OG1_GB1_44 H_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 378 383 -OG1_GB1_44 CB_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 378 385 +OG1_GB1_44 CB_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 378 385 OG1_GB1_44 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 378 396 -OG1_GB1_44 CB_GB1_46 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 378 398 +OG1_GB1_44 CB_GB1_46 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 378 398 OG1_GB1_44 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 378 405 -OG1_GB1_44 CB_GB1_47 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 378 407 +OG1_GB1_44 CB_GB1_47 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 378 407 OG1_GB1_44 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 378 414 -OG1_GB1_44 CB_GB1_48 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 378 416 +OG1_GB1_44 CB_GB1_48 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 378 416 OG1_GB1_44 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 378 420 -OG1_GB1_44 CB_GB1_49 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 378 422 -OG1_GB1_44 CG2_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 378 424 +OG1_GB1_44 CB_GB1_49 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 378 422 +OG1_GB1_44 CG2_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 378 424 OG1_GB1_44 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 378 428 -OG1_GB1_44 CB_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 378 430 -OG1_GB1_44 CG_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 378 431 -OG1_GB1_44 CD_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 378 432 -OG1_GB1_44 CE_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 378 433 +OG1_GB1_44 CB_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 378 430 +OG1_GB1_44 CG_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 378 431 +OG1_GB1_44 CD_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 378 432 +OG1_GB1_44 CE_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 378 433 OG1_GB1_44 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 378 438 -OG1_GB1_44 CB_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 378 440 -OG1_GB1_44 CG2_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 378 442 +OG1_GB1_44 CB_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 378 440 +OG1_GB1_44 CG2_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 378 442 OG1_GB1_44 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 378 446 -OG1_GB1_44 CB_GB1_52 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 378 448 +OG1_GB1_44 CB_GB1_52 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 378 448 OG1_GB1_44 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 378 458 -OG1_GB1_44 CB_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 378 460 -OG1_GB1_44 CG2_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 378 462 +OG1_GB1_44 CB_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 378 460 +OG1_GB1_44 CG2_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 378 462 OG1_GB1_44 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 378 466 -OG1_GB1_44 CB_GB1_54 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 378 468 -OG1_GB1_44 CG1_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 378 469 -OG1_GB1_44 CG2_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 378 470 +OG1_GB1_44 CB_GB1_54 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 378 468 +OG1_GB1_44 CG1_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 378 469 +OG1_GB1_44 CG2_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 378 470 OG1_GB1_44 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 378 474 -OG1_GB1_44 CB_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 378 476 -OG1_GB1_44 CG2_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 378 478 +OG1_GB1_44 CB_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 378 476 +OG1_GB1_44 CG2_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 378 478 OG1_GB1_44 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 378 482 -OG1_GB1_44 CB_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 378 484 -OG1_GB1_44 CG_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 378 485 -CG2_GB1_44 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 379 380 +OG1_GB1_44 CB_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 378 484 +OG1_GB1_44 CG_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 378 485 +CG2_GB1_44 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 379 380 CG2_GB1_44 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 379 381 -CG2_GB1_44 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 379 382 -CG2_GB1_44 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 379 392 -CG2_GB1_44 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 379 393 +CG2_GB1_44 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 379 382 +CG2_GB1_44 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 379 392 +CG2_GB1_44 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 379 393 CG2_GB1_44 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 379 394 -CG2_GB1_44 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 379 395 -CG2_GB1_44 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 379 399 +CG2_GB1_44 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 379 395 +CG2_GB1_44 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 379 399 CG2_GB1_44 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 379 400 CG2_GB1_44 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 379 401 -CG2_GB1_44 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 379 402 +CG2_GB1_44 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 379 402 CG2_GB1_44 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 379 403 -CG2_GB1_44 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 379 404 -CG2_GB1_44 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 379 408 +CG2_GB1_44 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 379 404 +CG2_GB1_44 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 379 408 CG2_GB1_44 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 379 409 CG2_GB1_44 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 379 410 -CG2_GB1_44 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 379 411 +CG2_GB1_44 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 379 411 CG2_GB1_44 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 379 412 -CG2_GB1_44 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 379 413 -CG2_GB1_44 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 379 417 +CG2_GB1_44 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 379 413 +CG2_GB1_44 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 379 417 CG2_GB1_44 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 379 418 -CG2_GB1_44 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 379 419 -CG2_GB1_44 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 379 423 -CG2_GB1_44 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 379 425 +CG2_GB1_44 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 379 419 +CG2_GB1_44 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 379 423 +CG2_GB1_44 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 379 425 CG2_GB1_44 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 379 426 -CG2_GB1_44 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 379 427 -CG2_GB1_44 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 379 434 -CG2_GB1_44 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 379 435 +CG2_GB1_44 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 379 427 +CG2_GB1_44 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 379 434 +CG2_GB1_44 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 379 435 CG2_GB1_44 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 379 436 -CG2_GB1_44 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 379 437 -CG2_GB1_44 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 379 441 -CG2_GB1_44 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 379 443 +CG2_GB1_44 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 379 437 +CG2_GB1_44 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 379 441 +CG2_GB1_44 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 379 443 CG2_GB1_44 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 379 444 -CG2_GB1_44 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 379 445 -CG2_GB1_44 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 379 455 +CG2_GB1_44 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 379 445 +CG2_GB1_44 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 379 455 CG2_GB1_44 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 379 456 -CG2_GB1_44 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 379 457 -CG2_GB1_44 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 379 461 -CG2_GB1_44 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 379 463 +CG2_GB1_44 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 379 457 +CG2_GB1_44 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 379 461 +CG2_GB1_44 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 379 463 CG2_GB1_44 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 379 464 -CG2_GB1_44 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 379 465 -CG2_GB1_44 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 379 471 +CG2_GB1_44 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 379 465 +CG2_GB1_44 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 379 471 CG2_GB1_44 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 379 472 -CG2_GB1_44 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 379 473 -CG2_GB1_44 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 379 477 -CG2_GB1_44 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 379 479 +CG2_GB1_44 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 379 473 +CG2_GB1_44 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 379 477 +CG2_GB1_44 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 379 479 CG2_GB1_44 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 379 480 -CG2_GB1_44 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 379 481 -CG2_GB1_44 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 379 486 +CG2_GB1_44 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 379 481 +CG2_GB1_44 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 379 486 CG2_GB1_44 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 379 487 CG2_GB1_44 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 379 488 -CG2_GB1_44 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 379 489 +CG2_GB1_44 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 379 489 CG2_GB1_44 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 379 490 CG2_GB1_44 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 379 491 - C_GB1_44 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 380 385 - C_GB1_44 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 380 398 - C_GB1_44 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 380 407 - C_GB1_44 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 380 416 - C_GB1_44 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 380 422 - C_GB1_44 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 380 424 - C_GB1_44 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 380 430 - C_GB1_44 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 380 431 - C_GB1_44 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 380 432 - C_GB1_44 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 380 433 - C_GB1_44 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 380 440 - C_GB1_44 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 380 442 - C_GB1_44 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 380 448 - C_GB1_44 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 380 460 - C_GB1_44 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 380 462 - C_GB1_44 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 380 468 - C_GB1_44 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 380 469 - C_GB1_44 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 380 470 - C_GB1_44 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 380 476 - C_GB1_44 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 380 478 - C_GB1_44 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 380 484 - C_GB1_44 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 380 485 + C_GB1_44 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 380 385 + C_GB1_44 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 380 398 + C_GB1_44 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 380 407 + C_GB1_44 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 380 416 + C_GB1_44 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 380 422 + C_GB1_44 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 380 424 + C_GB1_44 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 380 430 + C_GB1_44 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 380 431 + C_GB1_44 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 380 432 + C_GB1_44 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 380 433 + C_GB1_44 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 380 440 + C_GB1_44 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 380 442 + C_GB1_44 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 380 448 + C_GB1_44 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 380 460 + C_GB1_44 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 380 462 + C_GB1_44 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 380 468 + C_GB1_44 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 380 469 + C_GB1_44 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 380 470 + C_GB1_44 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 380 476 + C_GB1_44 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 380 478 + C_GB1_44 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 380 484 + C_GB1_44 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 380 485 O_GB1_44 O_GB1_44 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 381 381 O_GB1_44 H_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 381 383 O_GB1_44 CB_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 381 385 @@ -35242,28 +35242,28 @@ CG2_GB1_44 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- O_GB1_44 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 381 488 O_GB1_44 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 381 490 O_GB1_44 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 381 491 - N_GB1_45 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 382 385 - N_GB1_45 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 382 398 - N_GB1_45 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 382 407 - N_GB1_45 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 382 416 - N_GB1_45 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 382 422 - N_GB1_45 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 382 424 - N_GB1_45 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 382 430 - N_GB1_45 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 382 431 - N_GB1_45 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 382 432 - N_GB1_45 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 382 433 - N_GB1_45 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 382 440 - N_GB1_45 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 382 442 - N_GB1_45 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 382 448 - N_GB1_45 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 382 460 - N_GB1_45 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 382 462 - N_GB1_45 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 382 468 - N_GB1_45 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 382 469 - N_GB1_45 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 382 470 - N_GB1_45 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 382 476 - N_GB1_45 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 382 478 - N_GB1_45 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 382 484 - N_GB1_45 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 382 485 + N_GB1_45 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 382 385 + N_GB1_45 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 382 398 + N_GB1_45 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 382 407 + N_GB1_45 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 382 416 + N_GB1_45 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 382 422 + N_GB1_45 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 382 424 + N_GB1_45 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 382 430 + N_GB1_45 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 382 431 + N_GB1_45 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 382 432 + N_GB1_45 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 382 433 + N_GB1_45 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 382 440 + N_GB1_45 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 382 442 + N_GB1_45 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 382 448 + N_GB1_45 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 382 460 + N_GB1_45 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 382 462 + N_GB1_45 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 382 468 + N_GB1_45 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 382 469 + N_GB1_45 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 382 470 + N_GB1_45 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 382 476 + N_GB1_45 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 382 478 + N_GB1_45 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 382 484 + N_GB1_45 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 382 485 H_GB1_45 H_GB1_45 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 383 383 H_GB1_45 OH_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 383 392 H_GB1_45 O_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 383 394 @@ -35300,110 +35300,110 @@ CG2_GB1_44 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- H_GB1_45 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 383 488 H_GB1_45 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 383 490 H_GB1_45 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 383 491 - CB_GB1_45 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 385 392 - CB_GB1_45 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 385 393 + CB_GB1_45 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 385 392 + CB_GB1_45 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 385 393 CB_GB1_45 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 385 394 - CB_GB1_45 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 385 395 - CB_GB1_45 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 385 399 - CB_GB1_45 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 385 400 - CB_GB1_45 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 385 401 - CB_GB1_45 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 385 402 + CB_GB1_45 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 385 395 + CB_GB1_45 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 385 399 + CB_GB1_45 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 385 400 + CB_GB1_45 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 385 401 + CB_GB1_45 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 385 402 CB_GB1_45 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 385 403 - CB_GB1_45 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 385 404 - CB_GB1_45 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 385 408 - CB_GB1_45 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 385 409 - CB_GB1_45 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 385 410 - CB_GB1_45 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 385 411 + CB_GB1_45 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 385 404 + CB_GB1_45 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 385 408 + CB_GB1_45 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 385 409 + CB_GB1_45 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 385 410 + CB_GB1_45 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 385 411 CB_GB1_45 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 385 412 - CB_GB1_45 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 385 413 - CB_GB1_45 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 385 417 + CB_GB1_45 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 385 413 + CB_GB1_45 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 385 417 CB_GB1_45 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 385 418 - CB_GB1_45 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 385 419 - CB_GB1_45 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 385 423 - CB_GB1_45 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 385 425 + CB_GB1_45 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 385 419 + CB_GB1_45 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 385 423 + CB_GB1_45 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 385 425 CB_GB1_45 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 385 426 - CB_GB1_45 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 385 427 - CB_GB1_45 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 385 434 - CB_GB1_45 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 385 435 + CB_GB1_45 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 385 427 + CB_GB1_45 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 385 434 + CB_GB1_45 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 385 435 CB_GB1_45 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 385 436 - CB_GB1_45 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 385 437 - CB_GB1_45 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 385 441 - CB_GB1_45 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 385 443 + CB_GB1_45 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 385 437 + CB_GB1_45 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 385 441 + CB_GB1_45 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 385 443 CB_GB1_45 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 385 444 - CB_GB1_45 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 385 445 - CB_GB1_45 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 385 455 + CB_GB1_45 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 385 445 + CB_GB1_45 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 385 455 CB_GB1_45 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 385 456 - CB_GB1_45 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 385 457 - CB_GB1_45 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 385 461 - CB_GB1_45 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 385 463 + CB_GB1_45 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 385 457 + CB_GB1_45 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 385 461 + CB_GB1_45 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 385 463 CB_GB1_45 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 385 464 - CB_GB1_45 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 385 465 - CB_GB1_45 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 385 471 + CB_GB1_45 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 385 465 + CB_GB1_45 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 385 471 CB_GB1_45 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 385 472 - CB_GB1_45 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 385 473 - CB_GB1_45 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 385 477 - CB_GB1_45 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 385 479 + CB_GB1_45 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 385 473 + CB_GB1_45 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 385 477 + CB_GB1_45 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 385 479 CB_GB1_45 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 385 480 - CB_GB1_45 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 385 481 - CB_GB1_45 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 385 486 - CB_GB1_45 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 385 487 - CB_GB1_45 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 385 488 - CB_GB1_45 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 385 489 - CB_GB1_45 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 385 490 - CB_GB1_45 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 385 491 + CB_GB1_45 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 385 481 + CB_GB1_45 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 385 486 + CB_GB1_45 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 385 487 + CB_GB1_45 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 385 488 + CB_GB1_45 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 385 489 + CB_GB1_45 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 385 490 + CB_GB1_45 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 385 491 OH_GB1_45 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 392 396 - OH_GB1_45 CB_GB1_46 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 392 398 + OH_GB1_45 CB_GB1_46 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 392 398 OH_GB1_45 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 392 405 - OH_GB1_45 CB_GB1_47 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 392 407 + OH_GB1_45 CB_GB1_47 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 392 407 OH_GB1_45 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 392 414 - OH_GB1_45 CB_GB1_48 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 392 416 + OH_GB1_45 CB_GB1_48 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 392 416 OH_GB1_45 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 392 420 - OH_GB1_45 CB_GB1_49 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 392 422 - OH_GB1_45 CG2_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 392 424 + OH_GB1_45 CB_GB1_49 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 392 422 + OH_GB1_45 CG2_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 392 424 OH_GB1_45 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 392 428 - OH_GB1_45 CB_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 392 430 - OH_GB1_45 CG_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 392 431 - OH_GB1_45 CD_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 392 432 - OH_GB1_45 CE_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 392 433 + OH_GB1_45 CB_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 392 430 + OH_GB1_45 CG_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 392 431 + OH_GB1_45 CD_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 392 432 + OH_GB1_45 CE_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 392 433 OH_GB1_45 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 392 438 - OH_GB1_45 CB_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 392 440 - OH_GB1_45 CG2_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 392 442 + OH_GB1_45 CB_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 392 440 + OH_GB1_45 CG2_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 392 442 OH_GB1_45 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 392 446 - OH_GB1_45 CB_GB1_52 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 392 448 + OH_GB1_45 CB_GB1_52 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 392 448 OH_GB1_45 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 392 458 - OH_GB1_45 CB_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 392 460 - OH_GB1_45 CG2_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 392 462 + OH_GB1_45 CB_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 392 460 + OH_GB1_45 CG2_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 392 462 OH_GB1_45 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 392 466 - OH_GB1_45 CB_GB1_54 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 392 468 - OH_GB1_45 CG1_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 392 469 - OH_GB1_45 CG2_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 392 470 + OH_GB1_45 CB_GB1_54 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 392 468 + OH_GB1_45 CG1_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 392 469 + OH_GB1_45 CG2_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 392 470 OH_GB1_45 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 392 474 - OH_GB1_45 CB_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 392 476 - OH_GB1_45 CG2_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 392 478 + OH_GB1_45 CB_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 392 476 + OH_GB1_45 CG2_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 392 478 OH_GB1_45 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 392 482 - OH_GB1_45 CB_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 392 484 - OH_GB1_45 CG_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 392 485 - C_GB1_45 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 393 398 - C_GB1_45 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 393 407 - C_GB1_45 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 393 416 - C_GB1_45 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 393 422 - C_GB1_45 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 393 424 - C_GB1_45 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 393 430 - C_GB1_45 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 393 431 - C_GB1_45 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 393 432 - C_GB1_45 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 393 433 - C_GB1_45 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 393 440 - C_GB1_45 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 393 442 - C_GB1_45 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 393 448 - C_GB1_45 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 393 460 - C_GB1_45 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 393 462 - C_GB1_45 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 393 468 - C_GB1_45 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 393 469 - C_GB1_45 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 393 470 - C_GB1_45 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 393 476 - C_GB1_45 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 393 478 - C_GB1_45 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 393 484 - C_GB1_45 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 393 485 + OH_GB1_45 CB_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 392 484 + OH_GB1_45 CG_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 392 485 + C_GB1_45 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 393 398 + C_GB1_45 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 393 407 + C_GB1_45 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 393 416 + C_GB1_45 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 393 422 + C_GB1_45 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 393 424 + C_GB1_45 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 393 430 + C_GB1_45 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 393 431 + C_GB1_45 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 393 432 + C_GB1_45 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 393 433 + C_GB1_45 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 393 440 + C_GB1_45 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 393 442 + C_GB1_45 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 393 448 + C_GB1_45 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 393 460 + C_GB1_45 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 393 462 + C_GB1_45 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 393 468 + C_GB1_45 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 393 469 + C_GB1_45 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 393 470 + C_GB1_45 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 393 476 + C_GB1_45 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 393 478 + C_GB1_45 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 393 484 + C_GB1_45 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 393 485 O_GB1_45 O_GB1_45 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 394 394 O_GB1_45 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 394 396 O_GB1_45 CB_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 394 398 @@ -35455,27 +35455,27 @@ CG2_GB1_44 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- O_GB1_45 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 394 488 O_GB1_45 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 394 490 O_GB1_45 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 394 491 - N_GB1_46 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 395 398 - N_GB1_46 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 395 407 - N_GB1_46 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 395 416 - N_GB1_46 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 395 422 - N_GB1_46 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 395 424 - N_GB1_46 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 395 430 - N_GB1_46 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 395 431 - N_GB1_46 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 395 432 - N_GB1_46 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 395 433 - N_GB1_46 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 395 440 - N_GB1_46 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 395 442 - N_GB1_46 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 395 448 - N_GB1_46 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 395 460 - N_GB1_46 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 395 462 - N_GB1_46 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 395 468 - N_GB1_46 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 395 469 - N_GB1_46 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 395 470 - N_GB1_46 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 395 476 - N_GB1_46 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 395 478 - N_GB1_46 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 395 484 - N_GB1_46 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 395 485 + N_GB1_46 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 395 398 + N_GB1_46 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 395 407 + N_GB1_46 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 395 416 + N_GB1_46 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 395 422 + N_GB1_46 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 395 424 + N_GB1_46 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 395 430 + N_GB1_46 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 395 431 + N_GB1_46 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 395 432 + N_GB1_46 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 395 433 + N_GB1_46 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 395 440 + N_GB1_46 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 395 442 + N_GB1_46 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 395 448 + N_GB1_46 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 395 460 + N_GB1_46 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 395 462 + N_GB1_46 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 395 468 + N_GB1_46 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 395 469 + N_GB1_46 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 395 470 + N_GB1_46 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 395 476 + N_GB1_46 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 395 478 + N_GB1_46 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 395 484 + N_GB1_46 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 395 485 H_GB1_46 H_GB1_46 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 396 396 H_GB1_46 OD1_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 396 400 H_GB1_46 OD2_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 396 401 @@ -35509,78 +35509,78 @@ CG2_GB1_44 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- H_GB1_46 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 396 488 H_GB1_46 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 396 490 H_GB1_46 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 396 491 - CB_GB1_46 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 398 399 - CB_GB1_46 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 398 400 - CB_GB1_46 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 398 401 - CB_GB1_46 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 398 402 + CB_GB1_46 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 398 399 + CB_GB1_46 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 398 400 + CB_GB1_46 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 398 401 + CB_GB1_46 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 398 402 CB_GB1_46 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 398 403 - CB_GB1_46 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 398 404 - CB_GB1_46 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 398 408 - CB_GB1_46 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 398 409 - CB_GB1_46 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 398 410 - CB_GB1_46 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 398 411 + CB_GB1_46 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 398 404 + CB_GB1_46 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 398 408 + CB_GB1_46 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 398 409 + CB_GB1_46 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 398 410 + CB_GB1_46 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 398 411 CB_GB1_46 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 398 412 - CB_GB1_46 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 398 413 - CB_GB1_46 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 398 417 + CB_GB1_46 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 398 413 + CB_GB1_46 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 398 417 CB_GB1_46 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 398 418 - CB_GB1_46 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 398 419 - CB_GB1_46 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 398 423 - CB_GB1_46 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 398 425 + CB_GB1_46 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 398 419 + CB_GB1_46 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 398 423 + CB_GB1_46 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 398 425 CB_GB1_46 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 398 426 - CB_GB1_46 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 398 427 - CB_GB1_46 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 398 434 - CB_GB1_46 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 398 435 + CB_GB1_46 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 398 427 + CB_GB1_46 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 398 434 + CB_GB1_46 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 398 435 CB_GB1_46 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 398 436 - CB_GB1_46 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 398 437 - CB_GB1_46 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 398 441 - CB_GB1_46 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 398 443 + CB_GB1_46 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 398 437 + CB_GB1_46 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 398 441 + CB_GB1_46 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 398 443 CB_GB1_46 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 398 444 - CB_GB1_46 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 398 445 - CB_GB1_46 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 398 455 + CB_GB1_46 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 398 445 + CB_GB1_46 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 398 455 CB_GB1_46 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 398 456 - CB_GB1_46 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 398 457 - CB_GB1_46 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 398 461 - CB_GB1_46 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 398 463 + CB_GB1_46 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 398 457 + CB_GB1_46 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 398 461 + CB_GB1_46 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 398 463 CB_GB1_46 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 398 464 - CB_GB1_46 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 398 465 - CB_GB1_46 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 398 471 + CB_GB1_46 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 398 465 + CB_GB1_46 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 398 471 CB_GB1_46 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 398 472 - CB_GB1_46 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 398 473 - CB_GB1_46 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 398 477 - CB_GB1_46 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 398 479 + CB_GB1_46 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 398 473 + CB_GB1_46 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 398 477 + CB_GB1_46 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 398 479 CB_GB1_46 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 398 480 - CB_GB1_46 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 398 481 - CB_GB1_46 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 398 486 - CB_GB1_46 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 398 487 - CB_GB1_46 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 398 488 - CB_GB1_46 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 398 489 - CB_GB1_46 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 398 490 - CB_GB1_46 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 398 491 - CG_GB1_46 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 399 407 - CG_GB1_46 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 399 416 - CG_GB1_46 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 399 422 - CG_GB1_46 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 399 424 - CG_GB1_46 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 399 430 - CG_GB1_46 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 399 431 - CG_GB1_46 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 399 432 - CG_GB1_46 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 399 433 - CG_GB1_46 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 399 440 - CG_GB1_46 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 399 442 - CG_GB1_46 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 399 448 - CG_GB1_46 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 399 460 - CG_GB1_46 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 399 462 - CG_GB1_46 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 399 468 - CG_GB1_46 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 399 469 - CG_GB1_46 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 399 470 - CG_GB1_46 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 399 476 - CG_GB1_46 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 399 478 - CG_GB1_46 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 399 484 - CG_GB1_46 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 399 485 + CB_GB1_46 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 398 481 + CB_GB1_46 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 398 486 + CB_GB1_46 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 398 487 + CB_GB1_46 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 398 488 + CB_GB1_46 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 398 489 + CB_GB1_46 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 398 490 + CB_GB1_46 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 398 491 + CG_GB1_46 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 399 407 + CG_GB1_46 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 399 416 + CG_GB1_46 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 399 422 + CG_GB1_46 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 399 424 + CG_GB1_46 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 399 430 + CG_GB1_46 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 399 431 + CG_GB1_46 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 399 432 + CG_GB1_46 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 399 433 + CG_GB1_46 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 399 440 + CG_GB1_46 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 399 442 + CG_GB1_46 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 399 448 + CG_GB1_46 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 399 460 + CG_GB1_46 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 399 462 + CG_GB1_46 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 399 468 + CG_GB1_46 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 399 469 + CG_GB1_46 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 399 470 + CG_GB1_46 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 399 476 + CG_GB1_46 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 399 478 + CG_GB1_46 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 399 484 + CG_GB1_46 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 399 485 OD1_GB1_46 OD1_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 400 400 OD1_GB1_46 OD2_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 400 401 OD1_GB1_46 O_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 400 403 OD1_GB1_46 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 400 405 -OD1_GB1_46 CB_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 400 407 +OD1_GB1_46 CB_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 400 407 OD1_GB1_46 OD1_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 400 409 OD1_GB1_46 OD2_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 400 410 OD1_GB1_46 O_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 400 412 @@ -35588,38 +35588,38 @@ OD1_GB1_46 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e- OD1_GB1_46 CB_GB1_48 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 400 416 OD1_GB1_46 O_GB1_48 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 400 418 OD1_GB1_46 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 400 420 -OD1_GB1_46 CB_GB1_49 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 400 422 +OD1_GB1_46 CB_GB1_49 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 400 422 OD1_GB1_46 CG2_GB1_49 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 400 424 OD1_GB1_46 O_GB1_49 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 400 426 OD1_GB1_46 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 400 428 -OD1_GB1_46 CB_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 400 430 -OD1_GB1_46 CG_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 400 431 -OD1_GB1_46 CD_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 400 432 -OD1_GB1_46 CE_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 400 433 +OD1_GB1_46 CB_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 400 430 +OD1_GB1_46 CG_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 400 431 +OD1_GB1_46 CD_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 400 432 +OD1_GB1_46 CE_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 400 433 OD1_GB1_46 O_GB1_50 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 400 436 OD1_GB1_46 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 400 438 -OD1_GB1_46 CB_GB1_51 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 400 440 +OD1_GB1_46 CB_GB1_51 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 400 440 OD1_GB1_46 CG2_GB1_51 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 400 442 OD1_GB1_46 O_GB1_51 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 400 444 OD1_GB1_46 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 400 446 -OD1_GB1_46 CB_GB1_52 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 400 448 +OD1_GB1_46 CB_GB1_52 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 400 448 OD1_GB1_46 O_GB1_52 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 400 456 OD1_GB1_46 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 400 458 -OD1_GB1_46 CB_GB1_53 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 400 460 +OD1_GB1_46 CB_GB1_53 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 400 460 OD1_GB1_46 CG2_GB1_53 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 400 462 OD1_GB1_46 O_GB1_53 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 400 464 OD1_GB1_46 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 400 466 -OD1_GB1_46 CB_GB1_54 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 400 468 +OD1_GB1_46 CB_GB1_54 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 400 468 OD1_GB1_46 CG1_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 400 469 OD1_GB1_46 CG2_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 400 470 OD1_GB1_46 O_GB1_54 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 400 472 OD1_GB1_46 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 400 474 -OD1_GB1_46 CB_GB1_55 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 400 476 +OD1_GB1_46 CB_GB1_55 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 400 476 OD1_GB1_46 CG2_GB1_55 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 400 478 OD1_GB1_46 O_GB1_55 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 400 480 OD1_GB1_46 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 400 482 -OD1_GB1_46 CB_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 400 484 -OD1_GB1_46 CG_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 400 485 +OD1_GB1_46 CB_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 400 484 +OD1_GB1_46 CG_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 400 485 OD1_GB1_46 OE1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 400 487 OD1_GB1_46 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 400 488 OD1_GB1_46 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 400 490 @@ -35627,7 +35627,7 @@ OD1_GB1_46 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- OD2_GB1_46 OD2_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 401 401 OD2_GB1_46 O_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 401 403 OD2_GB1_46 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 401 405 -OD2_GB1_46 CB_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 401 407 +OD2_GB1_46 CB_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 401 407 OD2_GB1_46 OD1_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 401 409 OD2_GB1_46 OD2_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 401 410 OD2_GB1_46 O_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 401 412 @@ -35635,62 +35635,62 @@ OD2_GB1_46 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e- OD2_GB1_46 CB_GB1_48 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 401 416 OD2_GB1_46 O_GB1_48 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 401 418 OD2_GB1_46 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 401 420 -OD2_GB1_46 CB_GB1_49 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 401 422 +OD2_GB1_46 CB_GB1_49 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 401 422 OD2_GB1_46 CG2_GB1_49 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 401 424 OD2_GB1_46 O_GB1_49 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 401 426 OD2_GB1_46 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 401 428 -OD2_GB1_46 CB_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 401 430 -OD2_GB1_46 CG_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 401 431 -OD2_GB1_46 CD_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 401 432 -OD2_GB1_46 CE_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 401 433 +OD2_GB1_46 CB_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 401 430 +OD2_GB1_46 CG_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 401 431 +OD2_GB1_46 CD_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 401 432 +OD2_GB1_46 CE_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 401 433 OD2_GB1_46 O_GB1_50 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 401 436 OD2_GB1_46 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 401 438 -OD2_GB1_46 CB_GB1_51 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 401 440 +OD2_GB1_46 CB_GB1_51 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 401 440 OD2_GB1_46 CG2_GB1_51 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 401 442 OD2_GB1_46 O_GB1_51 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 401 444 OD2_GB1_46 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 401 446 -OD2_GB1_46 CB_GB1_52 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 401 448 +OD2_GB1_46 CB_GB1_52 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 401 448 OD2_GB1_46 O_GB1_52 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 401 456 OD2_GB1_46 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 401 458 -OD2_GB1_46 CB_GB1_53 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 401 460 +OD2_GB1_46 CB_GB1_53 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 401 460 OD2_GB1_46 CG2_GB1_53 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 401 462 OD2_GB1_46 O_GB1_53 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 401 464 OD2_GB1_46 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 401 466 -OD2_GB1_46 CB_GB1_54 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 401 468 +OD2_GB1_46 CB_GB1_54 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 401 468 OD2_GB1_46 CG1_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 401 469 OD2_GB1_46 CG2_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 401 470 OD2_GB1_46 O_GB1_54 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 401 472 OD2_GB1_46 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 401 474 -OD2_GB1_46 CB_GB1_55 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 401 476 +OD2_GB1_46 CB_GB1_55 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 401 476 OD2_GB1_46 CG2_GB1_55 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 401 478 OD2_GB1_46 O_GB1_55 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 401 480 OD2_GB1_46 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 401 482 -OD2_GB1_46 CB_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 401 484 -OD2_GB1_46 CG_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 401 485 +OD2_GB1_46 CB_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 401 484 +OD2_GB1_46 CG_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 401 485 OD2_GB1_46 OE1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 401 487 OD2_GB1_46 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 401 488 OD2_GB1_46 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 401 490 OD2_GB1_46 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 401 491 - C_GB1_46 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 402 407 - C_GB1_46 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 402 416 - C_GB1_46 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 402 422 - C_GB1_46 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 402 424 - C_GB1_46 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 402 430 - C_GB1_46 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 402 431 - C_GB1_46 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 402 432 - C_GB1_46 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 402 433 - C_GB1_46 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 402 440 - C_GB1_46 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 402 442 - C_GB1_46 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 402 448 - C_GB1_46 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 402 460 - C_GB1_46 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 402 462 - C_GB1_46 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 402 468 - C_GB1_46 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 402 469 - C_GB1_46 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 402 470 - C_GB1_46 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 402 476 - C_GB1_46 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 402 478 - C_GB1_46 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 402 484 - C_GB1_46 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 402 485 + C_GB1_46 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 402 407 + C_GB1_46 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 402 416 + C_GB1_46 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 402 422 + C_GB1_46 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 402 424 + C_GB1_46 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 402 430 + C_GB1_46 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 402 431 + C_GB1_46 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 402 432 + C_GB1_46 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 402 433 + C_GB1_46 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 402 440 + C_GB1_46 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 402 442 + C_GB1_46 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 402 448 + C_GB1_46 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 402 460 + C_GB1_46 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 402 462 + C_GB1_46 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 402 468 + C_GB1_46 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 402 469 + C_GB1_46 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 402 470 + C_GB1_46 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 402 476 + C_GB1_46 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 402 478 + C_GB1_46 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 402 484 + C_GB1_46 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 402 485 O_GB1_46 O_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 403 403 O_GB1_46 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 403 405 O_GB1_46 CB_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 403 407 @@ -35737,26 +35737,26 @@ OD2_GB1_46 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- O_GB1_46 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 403 488 O_GB1_46 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 403 490 O_GB1_46 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 403 491 - N_GB1_47 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 404 407 - N_GB1_47 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 404 416 - N_GB1_47 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 404 422 - N_GB1_47 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 404 424 - N_GB1_47 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 404 430 - N_GB1_47 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 404 431 - N_GB1_47 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 404 432 - N_GB1_47 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 404 433 - N_GB1_47 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 404 440 - N_GB1_47 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 404 442 - N_GB1_47 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 404 448 - N_GB1_47 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 404 460 - N_GB1_47 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 404 462 - N_GB1_47 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 404 468 - N_GB1_47 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 404 469 - N_GB1_47 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 404 470 - N_GB1_47 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 404 476 - N_GB1_47 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 404 478 - N_GB1_47 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 404 484 - N_GB1_47 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 404 485 + N_GB1_47 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 404 407 + N_GB1_47 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 404 416 + N_GB1_47 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 404 422 + N_GB1_47 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 404 424 + N_GB1_47 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 404 430 + N_GB1_47 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 404 431 + N_GB1_47 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 404 432 + N_GB1_47 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 404 433 + N_GB1_47 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 404 440 + N_GB1_47 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 404 442 + N_GB1_47 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 404 448 + N_GB1_47 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 404 460 + N_GB1_47 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 404 462 + N_GB1_47 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 404 468 + N_GB1_47 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 404 469 + N_GB1_47 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 404 470 + N_GB1_47 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 404 476 + N_GB1_47 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 404 478 + N_GB1_47 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 404 484 + N_GB1_47 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 404 485 H_GB1_47 H_GB1_47 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 405 405 H_GB1_47 OD1_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 405 409 H_GB1_47 OD2_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 405 410 @@ -35786,66 +35786,66 @@ OD2_GB1_46 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- H_GB1_47 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 405 488 H_GB1_47 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 405 490 H_GB1_47 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 405 491 - CB_GB1_47 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 407 408 - CB_GB1_47 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 407 409 - CB_GB1_47 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 407 410 - CB_GB1_47 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 407 411 + CB_GB1_47 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 407 408 + CB_GB1_47 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 407 409 + CB_GB1_47 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 407 410 + CB_GB1_47 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 407 411 CB_GB1_47 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 407 412 - CB_GB1_47 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 407 413 - CB_GB1_47 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 407 417 + CB_GB1_47 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 407 413 + CB_GB1_47 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 407 417 CB_GB1_47 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 407 418 - CB_GB1_47 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 407 419 - CB_GB1_47 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 407 423 - CB_GB1_47 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 407 425 + CB_GB1_47 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 407 419 + CB_GB1_47 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 407 423 + CB_GB1_47 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 407 425 CB_GB1_47 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 407 426 - CB_GB1_47 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 407 427 - CB_GB1_47 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 407 434 - CB_GB1_47 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 407 435 + CB_GB1_47 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 407 427 + CB_GB1_47 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 407 434 + CB_GB1_47 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 407 435 CB_GB1_47 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 407 436 - CB_GB1_47 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 407 437 - CB_GB1_47 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 407 441 - CB_GB1_47 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 407 443 + CB_GB1_47 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 407 437 + CB_GB1_47 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 407 441 + CB_GB1_47 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 407 443 CB_GB1_47 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 407 444 - CB_GB1_47 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 407 445 - CB_GB1_47 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 407 455 + CB_GB1_47 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 407 445 + CB_GB1_47 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 407 455 CB_GB1_47 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 407 456 - CB_GB1_47 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 407 457 - CB_GB1_47 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 407 461 - CB_GB1_47 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 407 463 + CB_GB1_47 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 407 457 + CB_GB1_47 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 407 461 + CB_GB1_47 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 407 463 CB_GB1_47 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 407 464 - CB_GB1_47 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 407 465 - CB_GB1_47 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 407 471 + CB_GB1_47 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 407 465 + CB_GB1_47 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 407 471 CB_GB1_47 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 407 472 - CB_GB1_47 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 407 473 - CB_GB1_47 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 407 477 - CB_GB1_47 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 407 479 + CB_GB1_47 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 407 473 + CB_GB1_47 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 407 477 + CB_GB1_47 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 407 479 CB_GB1_47 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 407 480 - CB_GB1_47 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 407 481 - CB_GB1_47 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 407 486 - CB_GB1_47 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 407 487 - CB_GB1_47 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 407 488 - CB_GB1_47 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 407 489 - CB_GB1_47 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 407 490 - CB_GB1_47 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 407 491 - CG_GB1_47 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 408 416 - CG_GB1_47 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 408 422 - CG_GB1_47 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 408 424 - CG_GB1_47 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 408 430 - CG_GB1_47 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 408 431 - CG_GB1_47 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 408 432 - CG_GB1_47 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 408 433 - CG_GB1_47 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 408 440 - CG_GB1_47 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 408 442 - CG_GB1_47 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 408 448 - CG_GB1_47 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 408 460 - CG_GB1_47 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 408 462 - CG_GB1_47 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 408 468 - CG_GB1_47 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 408 469 - CG_GB1_47 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 408 470 - CG_GB1_47 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 408 476 - CG_GB1_47 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 408 478 - CG_GB1_47 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 408 484 - CG_GB1_47 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 408 485 + CB_GB1_47 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 407 481 + CB_GB1_47 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 407 486 + CB_GB1_47 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 407 487 + CB_GB1_47 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 407 488 + CB_GB1_47 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 407 489 + CB_GB1_47 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 407 490 + CB_GB1_47 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 407 491 + CG_GB1_47 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 408 416 + CG_GB1_47 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 408 422 + CG_GB1_47 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 408 424 + CG_GB1_47 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 408 430 + CG_GB1_47 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 408 431 + CG_GB1_47 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 408 432 + CG_GB1_47 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 408 433 + CG_GB1_47 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 408 440 + CG_GB1_47 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 408 442 + CG_GB1_47 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 408 448 + CG_GB1_47 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 408 460 + CG_GB1_47 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 408 462 + CG_GB1_47 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 408 468 + CG_GB1_47 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 408 469 + CG_GB1_47 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 408 470 + CG_GB1_47 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 408 476 + CG_GB1_47 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 408 478 + CG_GB1_47 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 408 484 + CG_GB1_47 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 408 485 OD1_GB1_47 OD1_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 409 409 OD1_GB1_47 OD2_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 409 410 OD1_GB1_47 O_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 409 412 @@ -35853,38 +35853,38 @@ OD1_GB1_47 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e- OD1_GB1_47 CB_GB1_48 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 409 416 OD1_GB1_47 O_GB1_48 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 409 418 OD1_GB1_47 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 409 420 -OD1_GB1_47 CB_GB1_49 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 409 422 +OD1_GB1_47 CB_GB1_49 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 409 422 OD1_GB1_47 CG2_GB1_49 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 409 424 OD1_GB1_47 O_GB1_49 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 409 426 OD1_GB1_47 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 409 428 -OD1_GB1_47 CB_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 409 430 -OD1_GB1_47 CG_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 409 431 -OD1_GB1_47 CD_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 409 432 -OD1_GB1_47 CE_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 409 433 +OD1_GB1_47 CB_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 409 430 +OD1_GB1_47 CG_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 409 431 +OD1_GB1_47 CD_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 409 432 +OD1_GB1_47 CE_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 409 433 OD1_GB1_47 O_GB1_50 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 409 436 OD1_GB1_47 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 409 438 -OD1_GB1_47 CB_GB1_51 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 409 440 +OD1_GB1_47 CB_GB1_51 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 409 440 OD1_GB1_47 CG2_GB1_51 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 409 442 OD1_GB1_47 O_GB1_51 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 409 444 OD1_GB1_47 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 409 446 -OD1_GB1_47 CB_GB1_52 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 409 448 +OD1_GB1_47 CB_GB1_52 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 409 448 OD1_GB1_47 O_GB1_52 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 409 456 OD1_GB1_47 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 409 458 -OD1_GB1_47 CB_GB1_53 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 409 460 +OD1_GB1_47 CB_GB1_53 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 409 460 OD1_GB1_47 CG2_GB1_53 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 409 462 OD1_GB1_47 O_GB1_53 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 409 464 OD1_GB1_47 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 409 466 -OD1_GB1_47 CB_GB1_54 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 409 468 +OD1_GB1_47 CB_GB1_54 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 409 468 OD1_GB1_47 CG1_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 409 469 OD1_GB1_47 CG2_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 409 470 OD1_GB1_47 O_GB1_54 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 409 472 OD1_GB1_47 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 409 474 -OD1_GB1_47 CB_GB1_55 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 409 476 +OD1_GB1_47 CB_GB1_55 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 409 476 OD1_GB1_47 CG2_GB1_55 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 409 478 OD1_GB1_47 O_GB1_55 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 409 480 OD1_GB1_47 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 409 482 -OD1_GB1_47 CB_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 409 484 -OD1_GB1_47 CG_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 409 485 +OD1_GB1_47 CB_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 409 484 +OD1_GB1_47 CG_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 409 485 OD1_GB1_47 OE1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 409 487 OD1_GB1_47 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 409 488 OD1_GB1_47 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 409 490 @@ -35895,61 +35895,61 @@ OD2_GB1_47 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e- OD2_GB1_47 CB_GB1_48 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 410 416 OD2_GB1_47 O_GB1_48 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 410 418 OD2_GB1_47 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 410 420 -OD2_GB1_47 CB_GB1_49 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 410 422 +OD2_GB1_47 CB_GB1_49 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 410 422 OD2_GB1_47 CG2_GB1_49 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 410 424 OD2_GB1_47 O_GB1_49 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 410 426 OD2_GB1_47 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 410 428 -OD2_GB1_47 CB_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 410 430 -OD2_GB1_47 CG_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 410 431 -OD2_GB1_47 CD_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 410 432 -OD2_GB1_47 CE_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 410 433 +OD2_GB1_47 CB_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 410 430 +OD2_GB1_47 CG_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 410 431 +OD2_GB1_47 CD_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 410 432 +OD2_GB1_47 CE_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 410 433 OD2_GB1_47 O_GB1_50 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 410 436 OD2_GB1_47 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 410 438 -OD2_GB1_47 CB_GB1_51 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 410 440 +OD2_GB1_47 CB_GB1_51 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 410 440 OD2_GB1_47 CG2_GB1_51 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 410 442 OD2_GB1_47 O_GB1_51 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 410 444 OD2_GB1_47 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 410 446 -OD2_GB1_47 CB_GB1_52 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 410 448 +OD2_GB1_47 CB_GB1_52 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 410 448 OD2_GB1_47 O_GB1_52 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 410 456 OD2_GB1_47 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 410 458 -OD2_GB1_47 CB_GB1_53 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 410 460 +OD2_GB1_47 CB_GB1_53 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 410 460 OD2_GB1_47 CG2_GB1_53 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 410 462 OD2_GB1_47 O_GB1_53 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 410 464 OD2_GB1_47 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 410 466 -OD2_GB1_47 CB_GB1_54 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 410 468 +OD2_GB1_47 CB_GB1_54 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 410 468 OD2_GB1_47 CG1_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 410 469 OD2_GB1_47 CG2_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 410 470 OD2_GB1_47 O_GB1_54 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 410 472 OD2_GB1_47 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 410 474 -OD2_GB1_47 CB_GB1_55 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 410 476 +OD2_GB1_47 CB_GB1_55 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 410 476 OD2_GB1_47 CG2_GB1_55 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 410 478 OD2_GB1_47 O_GB1_55 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 410 480 OD2_GB1_47 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 410 482 -OD2_GB1_47 CB_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 410 484 -OD2_GB1_47 CG_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 410 485 +OD2_GB1_47 CB_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 410 484 +OD2_GB1_47 CG_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 410 485 OD2_GB1_47 OE1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 410 487 OD2_GB1_47 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 410 488 OD2_GB1_47 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 410 490 OD2_GB1_47 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 410 491 - C_GB1_47 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 411 416 - C_GB1_47 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 411 422 - C_GB1_47 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 411 424 - C_GB1_47 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 411 430 - C_GB1_47 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 411 431 - C_GB1_47 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 411 432 - C_GB1_47 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 411 433 - C_GB1_47 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 411 440 - C_GB1_47 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 411 442 - C_GB1_47 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 411 448 - C_GB1_47 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 411 460 - C_GB1_47 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 411 462 - C_GB1_47 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 411 468 - C_GB1_47 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 411 469 - C_GB1_47 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 411 470 - C_GB1_47 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 411 476 - C_GB1_47 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 411 478 - C_GB1_47 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 411 484 - C_GB1_47 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 411 485 + C_GB1_47 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 411 416 + C_GB1_47 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 411 422 + C_GB1_47 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 411 424 + C_GB1_47 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 411 430 + C_GB1_47 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 411 431 + C_GB1_47 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 411 432 + C_GB1_47 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 411 433 + C_GB1_47 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 411 440 + C_GB1_47 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 411 442 + C_GB1_47 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 411 448 + C_GB1_47 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 411 460 + C_GB1_47 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 411 462 + C_GB1_47 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 411 468 + C_GB1_47 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 411 469 + C_GB1_47 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 411 470 + C_GB1_47 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 411 476 + C_GB1_47 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 411 478 + C_GB1_47 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 411 484 + C_GB1_47 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 411 485 O_GB1_47 O_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 412 412 O_GB1_47 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 412 414 O_GB1_47 CB_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 412 416 @@ -35991,25 +35991,25 @@ OD2_GB1_47 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- O_GB1_47 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 412 488 O_GB1_47 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 412 490 O_GB1_47 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 412 491 - N_GB1_48 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 413 416 - N_GB1_48 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 413 422 - N_GB1_48 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 413 424 - N_GB1_48 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 413 430 - N_GB1_48 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 413 431 - N_GB1_48 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 413 432 - N_GB1_48 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 413 433 - N_GB1_48 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 413 440 - N_GB1_48 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 413 442 - N_GB1_48 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 413 448 - N_GB1_48 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 413 460 - N_GB1_48 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 413 462 - N_GB1_48 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 413 468 - N_GB1_48 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 413 469 - N_GB1_48 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 413 470 - N_GB1_48 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 413 476 - N_GB1_48 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 413 478 - N_GB1_48 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 413 484 - N_GB1_48 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 413 485 + N_GB1_48 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 413 416 + N_GB1_48 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 413 422 + N_GB1_48 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 413 424 + N_GB1_48 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 413 430 + N_GB1_48 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 413 431 + N_GB1_48 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 413 432 + N_GB1_48 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 413 433 + N_GB1_48 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 413 440 + N_GB1_48 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 413 442 + N_GB1_48 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 413 448 + N_GB1_48 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 413 460 + N_GB1_48 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 413 462 + N_GB1_48 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 413 468 + N_GB1_48 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 413 469 + N_GB1_48 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 413 470 + N_GB1_48 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 413 476 + N_GB1_48 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 413 478 + N_GB1_48 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 413 484 + N_GB1_48 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 413 485 H_GB1_48 H_GB1_48 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 414 414 H_GB1_48 O_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 414 418 H_GB1_48 H_GB1_49 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 414 420 @@ -36035,59 +36035,59 @@ OD2_GB1_47 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- H_GB1_48 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 414 488 H_GB1_48 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 414 490 H_GB1_48 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 414 491 - CB_GB1_48 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 416 417 + CB_GB1_48 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 416 417 CB_GB1_48 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 416 418 - CB_GB1_48 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 416 419 - CB_GB1_48 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 416 423 - CB_GB1_48 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 416 425 + CB_GB1_48 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 416 419 + CB_GB1_48 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 416 423 + CB_GB1_48 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 416 425 CB_GB1_48 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 416 426 - CB_GB1_48 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 416 427 - CB_GB1_48 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 416 434 - CB_GB1_48 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 416 435 + CB_GB1_48 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 416 427 + CB_GB1_48 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 416 434 + CB_GB1_48 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 416 435 CB_GB1_48 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 416 436 - CB_GB1_48 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 416 437 - CB_GB1_48 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 416 441 - CB_GB1_48 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 416 443 + CB_GB1_48 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 416 437 + CB_GB1_48 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 416 441 + CB_GB1_48 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 416 443 CB_GB1_48 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 416 444 - CB_GB1_48 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 416 445 - CB_GB1_48 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 416 455 + CB_GB1_48 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 416 445 + CB_GB1_48 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 416 455 CB_GB1_48 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 416 456 - CB_GB1_48 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 416 457 - CB_GB1_48 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 416 461 - CB_GB1_48 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 416 463 + CB_GB1_48 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 416 457 + CB_GB1_48 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 416 461 + CB_GB1_48 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 416 463 CB_GB1_48 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 416 464 - CB_GB1_48 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 416 465 - CB_GB1_48 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 416 471 + CB_GB1_48 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 416 465 + CB_GB1_48 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 416 471 CB_GB1_48 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 416 472 - CB_GB1_48 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 416 473 - CB_GB1_48 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 416 477 - CB_GB1_48 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 416 479 + CB_GB1_48 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 416 473 + CB_GB1_48 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 416 477 + CB_GB1_48 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 416 479 CB_GB1_48 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 416 480 - CB_GB1_48 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 416 481 - CB_GB1_48 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 416 486 + CB_GB1_48 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 416 481 + CB_GB1_48 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 416 486 CB_GB1_48 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 416 487 CB_GB1_48 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 416 488 - CB_GB1_48 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 416 489 + CB_GB1_48 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 416 489 CB_GB1_48 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 416 490 CB_GB1_48 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 416 491 - C_GB1_48 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 417 422 - C_GB1_48 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 417 424 - C_GB1_48 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 417 430 - C_GB1_48 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 417 431 - C_GB1_48 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 417 432 - C_GB1_48 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 417 433 - C_GB1_48 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 417 440 - C_GB1_48 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 417 442 - C_GB1_48 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 417 448 - C_GB1_48 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 417 460 - C_GB1_48 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 417 462 - C_GB1_48 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 417 468 - C_GB1_48 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 417 469 - C_GB1_48 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 417 470 - C_GB1_48 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 417 476 - C_GB1_48 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 417 478 - C_GB1_48 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 417 484 - C_GB1_48 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 417 485 + C_GB1_48 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 417 422 + C_GB1_48 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 417 424 + C_GB1_48 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 417 430 + C_GB1_48 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 417 431 + C_GB1_48 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 417 432 + C_GB1_48 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 417 433 + C_GB1_48 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 417 440 + C_GB1_48 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 417 442 + C_GB1_48 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 417 448 + C_GB1_48 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 417 460 + C_GB1_48 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 417 462 + C_GB1_48 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 417 468 + C_GB1_48 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 417 469 + C_GB1_48 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 417 470 + C_GB1_48 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 417 476 + C_GB1_48 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 417 478 + C_GB1_48 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 417 484 + C_GB1_48 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 417 485 O_GB1_48 O_GB1_48 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 418 418 O_GB1_48 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 418 420 O_GB1_48 CB_GB1_49 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 418 422 @@ -36126,24 +36126,24 @@ OD2_GB1_47 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- O_GB1_48 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 418 488 O_GB1_48 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 418 490 O_GB1_48 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 418 491 - N_GB1_49 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 419 422 - N_GB1_49 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 419 424 - N_GB1_49 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 419 430 - N_GB1_49 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 419 431 - N_GB1_49 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 419 432 - N_GB1_49 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 419 433 - N_GB1_49 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 419 440 - N_GB1_49 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 419 442 - N_GB1_49 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 419 448 - N_GB1_49 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 419 460 - N_GB1_49 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 419 462 - N_GB1_49 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 419 468 - N_GB1_49 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 419 469 - N_GB1_49 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 419 470 - N_GB1_49 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 419 476 - N_GB1_49 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 419 478 - N_GB1_49 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 419 484 - N_GB1_49 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 419 485 + N_GB1_49 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 419 422 + N_GB1_49 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 419 424 + N_GB1_49 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 419 430 + N_GB1_49 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 419 431 + N_GB1_49 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 419 432 + N_GB1_49 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 419 433 + N_GB1_49 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 419 440 + N_GB1_49 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 419 442 + N_GB1_49 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 419 448 + N_GB1_49 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 419 460 + N_GB1_49 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 419 462 + N_GB1_49 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 419 468 + N_GB1_49 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 419 469 + N_GB1_49 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 419 470 + N_GB1_49 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 419 476 + N_GB1_49 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 419 478 + N_GB1_49 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 419 484 + N_GB1_49 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 419 485 H_GB1_49 H_GB1_49 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 420 420 H_GB1_49 OG1_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 420 423 H_GB1_49 O_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 420 426 @@ -36167,109 +36167,109 @@ OD2_GB1_47 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- H_GB1_49 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 420 488 H_GB1_49 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 420 490 H_GB1_49 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 420 491 - CB_GB1_49 OG1_GB1_49 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 422 423 - CB_GB1_49 C_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 422 425 + CB_GB1_49 OG1_GB1_49 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 422 423 + CB_GB1_49 C_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 422 425 CB_GB1_49 O_GB1_49 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 422 426 - CB_GB1_49 N_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 422 427 - CB_GB1_49 NZ_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 422 434 - CB_GB1_49 C_GB1_50 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 422 435 + CB_GB1_49 N_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 422 427 + CB_GB1_49 NZ_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 422 434 + CB_GB1_49 C_GB1_50 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 422 435 CB_GB1_49 O_GB1_50 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 422 436 - CB_GB1_49 N_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 422 437 - CB_GB1_49 OG1_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 422 441 - CB_GB1_49 C_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 422 443 + CB_GB1_49 N_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 422 437 + CB_GB1_49 OG1_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 422 441 + CB_GB1_49 C_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 422 443 CB_GB1_49 O_GB1_51 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 422 444 - CB_GB1_49 N_GB1_52 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 422 445 - CB_GB1_49 C_GB1_52 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 422 455 + CB_GB1_49 N_GB1_52 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 422 445 + CB_GB1_49 C_GB1_52 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 422 455 CB_GB1_49 O_GB1_52 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 422 456 - CB_GB1_49 N_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 422 457 - CB_GB1_49 OG1_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 422 461 - CB_GB1_49 C_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 422 463 + CB_GB1_49 N_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 422 457 + CB_GB1_49 OG1_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 422 461 + CB_GB1_49 C_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 422 463 CB_GB1_49 O_GB1_53 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 422 464 - CB_GB1_49 N_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 422 465 - CB_GB1_49 C_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 422 471 + CB_GB1_49 N_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 422 465 + CB_GB1_49 C_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 422 471 CB_GB1_49 O_GB1_54 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 422 472 - CB_GB1_49 N_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 422 473 - CB_GB1_49 OG1_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 422 477 - CB_GB1_49 C_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 422 479 + CB_GB1_49 N_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 422 473 + CB_GB1_49 OG1_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 422 477 + CB_GB1_49 C_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 422 479 CB_GB1_49 O_GB1_55 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 422 480 - CB_GB1_49 N_GB1_56 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 422 481 - CB_GB1_49 CD_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 422 486 - CB_GB1_49 OE1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 422 487 - CB_GB1_49 OE2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 422 488 - CB_GB1_49 C_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 422 489 - CB_GB1_49 O1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 422 490 - CB_GB1_49 O2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 422 491 -OG1_GB1_49 CG2_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 423 424 + CB_GB1_49 N_GB1_56 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 422 481 + CB_GB1_49 CD_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 422 486 + CB_GB1_49 OE1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 422 487 + CB_GB1_49 OE2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 422 488 + CB_GB1_49 C_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 422 489 + CB_GB1_49 O1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 422 490 + CB_GB1_49 O2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 422 491 +OG1_GB1_49 CG2_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 423 424 OG1_GB1_49 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 423 428 -OG1_GB1_49 CB_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 423 430 -OG1_GB1_49 CG_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 423 431 -OG1_GB1_49 CD_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 423 432 -OG1_GB1_49 CE_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 423 433 +OG1_GB1_49 CB_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 423 430 +OG1_GB1_49 CG_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 423 431 +OG1_GB1_49 CD_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 423 432 +OG1_GB1_49 CE_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 423 433 OG1_GB1_49 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 423 438 -OG1_GB1_49 CB_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 423 440 -OG1_GB1_49 CG2_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 423 442 +OG1_GB1_49 CB_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 423 440 +OG1_GB1_49 CG2_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 423 442 OG1_GB1_49 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 423 446 -OG1_GB1_49 CB_GB1_52 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 423 448 +OG1_GB1_49 CB_GB1_52 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 423 448 OG1_GB1_49 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 423 458 -OG1_GB1_49 CB_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 423 460 -OG1_GB1_49 CG2_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 423 462 +OG1_GB1_49 CB_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 423 460 +OG1_GB1_49 CG2_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 423 462 OG1_GB1_49 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 423 466 -OG1_GB1_49 CB_GB1_54 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 423 468 -OG1_GB1_49 CG1_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 423 469 -OG1_GB1_49 CG2_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 423 470 +OG1_GB1_49 CB_GB1_54 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 423 468 +OG1_GB1_49 CG1_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 423 469 +OG1_GB1_49 CG2_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 423 470 OG1_GB1_49 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 423 474 -OG1_GB1_49 CB_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 423 476 -OG1_GB1_49 CG2_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 423 478 +OG1_GB1_49 CB_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 423 476 +OG1_GB1_49 CG2_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 423 478 OG1_GB1_49 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 423 482 -OG1_GB1_49 CB_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 423 484 -OG1_GB1_49 CG_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 423 485 -CG2_GB1_49 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 424 425 +OG1_GB1_49 CB_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 423 484 +OG1_GB1_49 CG_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 423 485 +CG2_GB1_49 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 424 425 CG2_GB1_49 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 424 426 -CG2_GB1_49 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 424 427 -CG2_GB1_49 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 424 434 -CG2_GB1_49 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 424 435 +CG2_GB1_49 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 424 427 +CG2_GB1_49 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 424 434 +CG2_GB1_49 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 424 435 CG2_GB1_49 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 424 436 -CG2_GB1_49 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 424 437 -CG2_GB1_49 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 424 441 -CG2_GB1_49 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 424 443 +CG2_GB1_49 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 424 437 +CG2_GB1_49 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 424 441 +CG2_GB1_49 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 424 443 CG2_GB1_49 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 424 444 -CG2_GB1_49 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 424 445 -CG2_GB1_49 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 424 455 +CG2_GB1_49 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 424 445 +CG2_GB1_49 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 424 455 CG2_GB1_49 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 424 456 -CG2_GB1_49 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 424 457 -CG2_GB1_49 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 424 461 -CG2_GB1_49 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 424 463 +CG2_GB1_49 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 424 457 +CG2_GB1_49 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 424 461 +CG2_GB1_49 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 424 463 CG2_GB1_49 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 424 464 -CG2_GB1_49 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 424 465 -CG2_GB1_49 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 424 471 +CG2_GB1_49 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 424 465 +CG2_GB1_49 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 424 471 CG2_GB1_49 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 424 472 -CG2_GB1_49 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 424 473 -CG2_GB1_49 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 424 477 -CG2_GB1_49 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 424 479 +CG2_GB1_49 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 424 473 +CG2_GB1_49 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 424 477 +CG2_GB1_49 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 424 479 CG2_GB1_49 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 424 480 -CG2_GB1_49 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 424 481 -CG2_GB1_49 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 424 486 +CG2_GB1_49 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 424 481 +CG2_GB1_49 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 424 486 CG2_GB1_49 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 424 487 CG2_GB1_49 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 424 488 -CG2_GB1_49 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 424 489 +CG2_GB1_49 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 424 489 CG2_GB1_49 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 424 490 CG2_GB1_49 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 424 491 - C_GB1_49 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 425 430 - C_GB1_49 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 425 431 - C_GB1_49 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 425 432 - C_GB1_49 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 425 433 - C_GB1_49 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 425 440 - C_GB1_49 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 425 442 - C_GB1_49 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 425 448 - C_GB1_49 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 425 460 - C_GB1_49 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 425 462 - C_GB1_49 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 425 468 - C_GB1_49 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 425 469 - C_GB1_49 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 425 470 - C_GB1_49 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 425 476 - C_GB1_49 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 425 478 - C_GB1_49 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 425 484 - C_GB1_49 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 425 485 + C_GB1_49 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 425 430 + C_GB1_49 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 425 431 + C_GB1_49 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 425 432 + C_GB1_49 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 425 433 + C_GB1_49 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 425 440 + C_GB1_49 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 425 442 + C_GB1_49 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 425 448 + C_GB1_49 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 425 460 + C_GB1_49 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 425 462 + C_GB1_49 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 425 468 + C_GB1_49 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 425 469 + C_GB1_49 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 425 470 + C_GB1_49 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 425 476 + C_GB1_49 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 425 478 + C_GB1_49 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 425 484 + C_GB1_49 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 425 485 O_GB1_49 O_GB1_49 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 426 426 O_GB1_49 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 426 428 O_GB1_49 CB_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 426 430 @@ -36304,22 +36304,22 @@ CG2_GB1_49 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- O_GB1_49 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 426 488 O_GB1_49 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 426 490 O_GB1_49 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 426 491 - N_GB1_50 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 427 430 - N_GB1_50 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 427 431 - N_GB1_50 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 427 432 - N_GB1_50 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 427 433 - N_GB1_50 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 427 440 - N_GB1_50 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 427 442 - N_GB1_50 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 427 448 - N_GB1_50 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 427 460 - N_GB1_50 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 427 462 - N_GB1_50 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 427 468 - N_GB1_50 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 427 469 - N_GB1_50 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 427 470 - N_GB1_50 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 427 476 - N_GB1_50 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 427 478 - N_GB1_50 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 427 484 - N_GB1_50 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 427 485 + N_GB1_50 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 427 430 + N_GB1_50 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 427 431 + N_GB1_50 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 427 432 + N_GB1_50 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 427 433 + N_GB1_50 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 427 440 + N_GB1_50 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 427 442 + N_GB1_50 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 427 448 + N_GB1_50 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 427 460 + N_GB1_50 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 427 462 + N_GB1_50 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 427 468 + N_GB1_50 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 427 469 + N_GB1_50 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 427 470 + N_GB1_50 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 427 476 + N_GB1_50 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 427 478 + N_GB1_50 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 427 484 + N_GB1_50 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 427 485 H_GB1_50 H_GB1_50 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 428 428 H_GB1_50 O_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 428 436 H_GB1_50 H_GB1_51 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 428 438 @@ -36340,143 +36340,143 @@ CG2_GB1_49 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- H_GB1_50 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 428 488 H_GB1_50 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 428 490 H_GB1_50 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 428 491 - CB_GB1_50 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 430 434 - CB_GB1_50 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 430 435 + CB_GB1_50 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 430 434 + CB_GB1_50 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 430 435 CB_GB1_50 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 430 436 - CB_GB1_50 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 430 437 - CB_GB1_50 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 430 441 - CB_GB1_50 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 430 443 + CB_GB1_50 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 430 437 + CB_GB1_50 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 430 441 + CB_GB1_50 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 430 443 CB_GB1_50 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 430 444 - CB_GB1_50 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 430 445 - CB_GB1_50 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 430 455 + CB_GB1_50 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 430 445 + CB_GB1_50 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 430 455 CB_GB1_50 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 430 456 - CB_GB1_50 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 430 457 - CB_GB1_50 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 430 461 - CB_GB1_50 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 430 463 + CB_GB1_50 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 430 457 + CB_GB1_50 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 430 461 + CB_GB1_50 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 430 463 CB_GB1_50 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 430 464 - CB_GB1_50 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 430 465 - CB_GB1_50 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 430 471 + CB_GB1_50 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 430 465 + CB_GB1_50 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 430 471 CB_GB1_50 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 430 472 - CB_GB1_50 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 430 473 - CB_GB1_50 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 430 477 - CB_GB1_50 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 430 479 + CB_GB1_50 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 430 473 + CB_GB1_50 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 430 477 + CB_GB1_50 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 430 479 CB_GB1_50 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 430 480 - CB_GB1_50 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 430 481 - CB_GB1_50 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 430 486 - CB_GB1_50 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 430 487 - CB_GB1_50 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 430 488 - CB_GB1_50 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 430 489 - CB_GB1_50 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 430 490 - CB_GB1_50 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 430 491 - CG_GB1_50 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 431 434 - CG_GB1_50 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 431 435 + CB_GB1_50 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 430 481 + CB_GB1_50 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 430 486 + CB_GB1_50 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 430 487 + CB_GB1_50 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 430 488 + CB_GB1_50 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 430 489 + CB_GB1_50 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 430 490 + CB_GB1_50 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 430 491 + CG_GB1_50 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 431 434 + CG_GB1_50 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 431 435 CG_GB1_50 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 431 436 - CG_GB1_50 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 431 437 - CG_GB1_50 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 431 441 - CG_GB1_50 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 431 443 + CG_GB1_50 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 431 437 + CG_GB1_50 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 431 441 + CG_GB1_50 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 431 443 CG_GB1_50 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 431 444 - CG_GB1_50 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 431 445 - CG_GB1_50 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 431 455 + CG_GB1_50 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 431 445 + CG_GB1_50 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 431 455 CG_GB1_50 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 431 456 - CG_GB1_50 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 431 457 - CG_GB1_50 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 431 461 - CG_GB1_50 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 431 463 + CG_GB1_50 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 431 457 + CG_GB1_50 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 431 461 + CG_GB1_50 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 431 463 CG_GB1_50 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 431 464 - CG_GB1_50 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 431 465 - CG_GB1_50 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 431 471 + CG_GB1_50 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 431 465 + CG_GB1_50 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 431 471 CG_GB1_50 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 431 472 - CG_GB1_50 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 431 473 - CG_GB1_50 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 431 477 - CG_GB1_50 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 431 479 + CG_GB1_50 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 431 473 + CG_GB1_50 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 431 477 + CG_GB1_50 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 431 479 CG_GB1_50 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 431 480 - CG_GB1_50 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 431 481 - CG_GB1_50 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 431 486 - CG_GB1_50 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 431 487 - CG_GB1_50 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 431 488 - CG_GB1_50 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 431 489 - CG_GB1_50 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 431 490 - CG_GB1_50 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 431 491 - CD_GB1_50 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 432 434 - CD_GB1_50 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 432 435 + CG_GB1_50 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 431 481 + CG_GB1_50 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 431 486 + CG_GB1_50 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 431 487 + CG_GB1_50 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 431 488 + CG_GB1_50 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 431 489 + CG_GB1_50 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 431 490 + CG_GB1_50 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 431 491 + CD_GB1_50 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 432 434 + CD_GB1_50 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 432 435 CD_GB1_50 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 432 436 - CD_GB1_50 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 432 437 - CD_GB1_50 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 432 441 - CD_GB1_50 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 432 443 + CD_GB1_50 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 432 437 + CD_GB1_50 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 432 441 + CD_GB1_50 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 432 443 CD_GB1_50 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 432 444 - CD_GB1_50 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 432 445 - CD_GB1_50 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 432 455 + CD_GB1_50 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 432 445 + CD_GB1_50 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 432 455 CD_GB1_50 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 432 456 - CD_GB1_50 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 432 457 - CD_GB1_50 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 432 461 - CD_GB1_50 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 432 463 + CD_GB1_50 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 432 457 + CD_GB1_50 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 432 461 + CD_GB1_50 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 432 463 CD_GB1_50 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 432 464 - CD_GB1_50 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 432 465 - CD_GB1_50 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 432 471 + CD_GB1_50 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 432 465 + CD_GB1_50 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 432 471 CD_GB1_50 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 432 472 - CD_GB1_50 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 432 473 - CD_GB1_50 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 432 477 - CD_GB1_50 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 432 479 + CD_GB1_50 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 432 473 + CD_GB1_50 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 432 477 + CD_GB1_50 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 432 479 CD_GB1_50 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 432 480 - CD_GB1_50 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 432 481 - CD_GB1_50 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 432 486 - CD_GB1_50 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 432 487 - CD_GB1_50 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 432 488 - CD_GB1_50 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 432 489 - CD_GB1_50 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 432 490 - CD_GB1_50 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 432 491 - CE_GB1_50 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 433 434 - CE_GB1_50 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 433 435 + CD_GB1_50 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 432 481 + CD_GB1_50 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 432 486 + CD_GB1_50 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 432 487 + CD_GB1_50 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 432 488 + CD_GB1_50 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 432 489 + CD_GB1_50 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 432 490 + CD_GB1_50 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 432 491 + CE_GB1_50 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 433 434 + CE_GB1_50 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 433 435 CE_GB1_50 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 433 436 - CE_GB1_50 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 433 437 - CE_GB1_50 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 433 441 - CE_GB1_50 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 433 443 + CE_GB1_50 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 433 437 + CE_GB1_50 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 433 441 + CE_GB1_50 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 433 443 CE_GB1_50 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 433 444 - CE_GB1_50 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 433 445 - CE_GB1_50 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 433 455 + CE_GB1_50 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 433 445 + CE_GB1_50 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 433 455 CE_GB1_50 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 433 456 - CE_GB1_50 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 433 457 - CE_GB1_50 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 433 461 - CE_GB1_50 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 433 463 + CE_GB1_50 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 433 457 + CE_GB1_50 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 433 461 + CE_GB1_50 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 433 463 CE_GB1_50 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 433 464 - CE_GB1_50 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 433 465 - CE_GB1_50 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 433 471 + CE_GB1_50 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 433 465 + CE_GB1_50 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 433 471 CE_GB1_50 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 433 472 - CE_GB1_50 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 433 473 - CE_GB1_50 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 433 477 - CE_GB1_50 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 433 479 + CE_GB1_50 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 433 473 + CE_GB1_50 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 433 477 + CE_GB1_50 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 433 479 CE_GB1_50 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 433 480 - CE_GB1_50 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 433 481 - CE_GB1_50 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 433 486 - CE_GB1_50 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 433 487 - CE_GB1_50 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 433 488 - CE_GB1_50 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 433 489 - CE_GB1_50 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 433 490 - CE_GB1_50 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 433 491 + CE_GB1_50 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 433 481 + CE_GB1_50 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 433 486 + CE_GB1_50 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 433 487 + CE_GB1_50 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 433 488 + CE_GB1_50 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 433 489 + CE_GB1_50 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 433 490 + CE_GB1_50 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 433 491 NZ_GB1_50 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.0 1.0 1.0 1.0 False mg 7 434 434 - NZ_GB1_50 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 434 440 - NZ_GB1_50 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 434 442 - NZ_GB1_50 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 434 448 - NZ_GB1_50 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 434 460 - NZ_GB1_50 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 434 462 - NZ_GB1_50 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 434 468 - NZ_GB1_50 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 434 469 - NZ_GB1_50 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 434 470 - NZ_GB1_50 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 434 476 - NZ_GB1_50 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 434 478 - NZ_GB1_50 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 434 484 - NZ_GB1_50 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 434 485 - C_GB1_50 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 435 440 - C_GB1_50 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 435 442 - C_GB1_50 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 435 448 - C_GB1_50 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 435 460 - C_GB1_50 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 435 462 - C_GB1_50 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 435 468 - C_GB1_50 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 435 469 - C_GB1_50 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 435 470 - C_GB1_50 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 435 476 - C_GB1_50 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 435 478 - C_GB1_50 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 435 484 - C_GB1_50 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 435 485 + NZ_GB1_50 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 434 440 + NZ_GB1_50 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 434 442 + NZ_GB1_50 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 434 448 + NZ_GB1_50 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 434 460 + NZ_GB1_50 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 434 462 + NZ_GB1_50 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 434 468 + NZ_GB1_50 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 434 469 + NZ_GB1_50 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 434 470 + NZ_GB1_50 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 434 476 + NZ_GB1_50 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 434 478 + NZ_GB1_50 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 434 484 + NZ_GB1_50 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 434 485 + C_GB1_50 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 435 440 + C_GB1_50 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 435 442 + C_GB1_50 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 435 448 + C_GB1_50 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 435 460 + C_GB1_50 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 435 462 + C_GB1_50 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 435 468 + C_GB1_50 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 435 469 + C_GB1_50 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 435 470 + C_GB1_50 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 435 476 + C_GB1_50 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 435 478 + C_GB1_50 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 435 484 + C_GB1_50 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 435 485 O_GB1_50 O_GB1_50 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 436 436 O_GB1_50 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 436 438 O_GB1_50 CB_GB1_51 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 436 440 @@ -36505,18 +36505,18 @@ CG2_GB1_49 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- O_GB1_50 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 436 488 O_GB1_50 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 436 490 O_GB1_50 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 436 491 - N_GB1_51 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 437 440 - N_GB1_51 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 437 442 - N_GB1_51 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 437 448 - N_GB1_51 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 437 460 - N_GB1_51 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 437 462 - N_GB1_51 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 437 468 - N_GB1_51 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 437 469 - N_GB1_51 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 437 470 - N_GB1_51 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 437 476 - N_GB1_51 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 437 478 - N_GB1_51 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 437 484 - N_GB1_51 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 437 485 + N_GB1_51 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 437 440 + N_GB1_51 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 437 442 + N_GB1_51 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 437 448 + N_GB1_51 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 437 460 + N_GB1_51 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 437 462 + N_GB1_51 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 437 468 + N_GB1_51 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 437 469 + N_GB1_51 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 437 470 + N_GB1_51 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 437 476 + N_GB1_51 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 437 478 + N_GB1_51 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 437 484 + N_GB1_51 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 437 485 H_GB1_51 H_GB1_51 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 438 438 H_GB1_51 OG1_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 438 441 H_GB1_51 O_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 438 444 @@ -36535,79 +36535,79 @@ CG2_GB1_49 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- H_GB1_51 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 438 488 H_GB1_51 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 438 490 H_GB1_51 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 438 491 - CB_GB1_51 OG1_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 440 441 - CB_GB1_51 C_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 440 443 + CB_GB1_51 OG1_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 440 441 + CB_GB1_51 C_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 440 443 CB_GB1_51 O_GB1_51 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 440 444 - CB_GB1_51 N_GB1_52 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 440 445 - CB_GB1_51 C_GB1_52 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 440 455 + CB_GB1_51 N_GB1_52 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 440 445 + CB_GB1_51 C_GB1_52 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 440 455 CB_GB1_51 O_GB1_52 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 440 456 - CB_GB1_51 N_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 440 457 - CB_GB1_51 OG1_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 440 461 - CB_GB1_51 C_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 440 463 + CB_GB1_51 N_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 440 457 + CB_GB1_51 OG1_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 440 461 + CB_GB1_51 C_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 440 463 CB_GB1_51 O_GB1_53 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 440 464 - CB_GB1_51 N_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 440 465 - CB_GB1_51 C_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 440 471 + CB_GB1_51 N_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 440 465 + CB_GB1_51 C_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 440 471 CB_GB1_51 O_GB1_54 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 440 472 - CB_GB1_51 N_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 440 473 - CB_GB1_51 OG1_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 440 477 - CB_GB1_51 C_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 440 479 + CB_GB1_51 N_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 440 473 + CB_GB1_51 OG1_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 440 477 + CB_GB1_51 C_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 440 479 CB_GB1_51 O_GB1_55 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 440 480 - CB_GB1_51 N_GB1_56 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 440 481 - CB_GB1_51 CD_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 440 486 - CB_GB1_51 OE1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 440 487 - CB_GB1_51 OE2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 440 488 - CB_GB1_51 C_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 440 489 - CB_GB1_51 O1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 440 490 - CB_GB1_51 O2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 440 491 -OG1_GB1_51 CG2_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 441 442 + CB_GB1_51 N_GB1_56 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 440 481 + CB_GB1_51 CD_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 440 486 + CB_GB1_51 OE1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 440 487 + CB_GB1_51 OE2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 440 488 + CB_GB1_51 C_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 440 489 + CB_GB1_51 O1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 440 490 + CB_GB1_51 O2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 440 491 +OG1_GB1_51 CG2_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 441 442 OG1_GB1_51 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 441 446 -OG1_GB1_51 CB_GB1_52 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 441 448 +OG1_GB1_51 CB_GB1_52 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 441 448 OG1_GB1_51 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 441 458 -OG1_GB1_51 CB_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 441 460 -OG1_GB1_51 CG2_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 441 462 +OG1_GB1_51 CB_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 441 460 +OG1_GB1_51 CG2_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 441 462 OG1_GB1_51 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 441 466 -OG1_GB1_51 CB_GB1_54 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 441 468 -OG1_GB1_51 CG1_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 441 469 -OG1_GB1_51 CG2_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 441 470 +OG1_GB1_51 CB_GB1_54 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 441 468 +OG1_GB1_51 CG1_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 441 469 +OG1_GB1_51 CG2_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 441 470 OG1_GB1_51 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 441 474 -OG1_GB1_51 CB_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 441 476 -OG1_GB1_51 CG2_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 441 478 +OG1_GB1_51 CB_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 441 476 +OG1_GB1_51 CG2_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 441 478 OG1_GB1_51 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 441 482 -OG1_GB1_51 CB_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 441 484 -OG1_GB1_51 CG_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 441 485 -CG2_GB1_51 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 442 443 +OG1_GB1_51 CB_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 441 484 +OG1_GB1_51 CG_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 441 485 +CG2_GB1_51 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 442 443 CG2_GB1_51 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 442 444 -CG2_GB1_51 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 442 445 -CG2_GB1_51 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 442 455 +CG2_GB1_51 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 442 445 +CG2_GB1_51 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 442 455 CG2_GB1_51 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 442 456 -CG2_GB1_51 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 442 457 -CG2_GB1_51 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 442 461 -CG2_GB1_51 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 442 463 +CG2_GB1_51 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 442 457 +CG2_GB1_51 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 442 461 +CG2_GB1_51 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 442 463 CG2_GB1_51 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 442 464 -CG2_GB1_51 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 442 465 -CG2_GB1_51 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 442 471 +CG2_GB1_51 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 442 465 +CG2_GB1_51 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 442 471 CG2_GB1_51 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 442 472 -CG2_GB1_51 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 442 473 -CG2_GB1_51 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 442 477 -CG2_GB1_51 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 442 479 +CG2_GB1_51 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 442 473 +CG2_GB1_51 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 442 477 +CG2_GB1_51 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 442 479 CG2_GB1_51 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 442 480 -CG2_GB1_51 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 442 481 -CG2_GB1_51 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 442 486 +CG2_GB1_51 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 442 481 +CG2_GB1_51 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 442 486 CG2_GB1_51 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 442 487 CG2_GB1_51 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 442 488 -CG2_GB1_51 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 442 489 +CG2_GB1_51 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 442 489 CG2_GB1_51 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 442 490 CG2_GB1_51 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 442 491 - C_GB1_51 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 443 448 - C_GB1_51 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 443 460 - C_GB1_51 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 443 462 - C_GB1_51 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 443 468 - C_GB1_51 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 443 469 - C_GB1_51 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 443 470 - C_GB1_51 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 443 476 - C_GB1_51 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 443 478 - C_GB1_51 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 443 484 - C_GB1_51 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 443 485 + C_GB1_51 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 443 448 + C_GB1_51 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 443 460 + C_GB1_51 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 443 462 + C_GB1_51 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 443 468 + C_GB1_51 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 443 469 + C_GB1_51 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 443 470 + C_GB1_51 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 443 476 + C_GB1_51 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 443 478 + C_GB1_51 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 443 484 + C_GB1_51 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 443 485 O_GB1_51 O_GB1_51 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 444 444 O_GB1_51 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 444 446 O_GB1_51 CB_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 444 448 @@ -36632,16 +36632,16 @@ CG2_GB1_51 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- O_GB1_51 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 444 488 O_GB1_51 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 444 490 O_GB1_51 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 444 491 - N_GB1_52 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 445 448 - N_GB1_52 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 445 460 - N_GB1_52 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 445 462 - N_GB1_52 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 445 468 - N_GB1_52 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 445 469 - N_GB1_52 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 445 470 - N_GB1_52 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 445 476 - N_GB1_52 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 445 478 - N_GB1_52 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 445 484 - N_GB1_52 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 445 485 + N_GB1_52 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 445 448 + N_GB1_52 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 445 460 + N_GB1_52 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 445 462 + N_GB1_52 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 445 468 + N_GB1_52 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 445 469 + N_GB1_52 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 445 470 + N_GB1_52 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 445 476 + N_GB1_52 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 445 478 + N_GB1_52 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 445 484 + N_GB1_52 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 445 485 H_GB1_52 H_GB1_52 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 446 446 H_GB1_52 O_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 446 456 H_GB1_52 H_GB1_53 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 446 458 @@ -36657,35 +36657,35 @@ CG2_GB1_51 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- H_GB1_52 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 446 488 H_GB1_52 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 446 490 H_GB1_52 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 446 491 - CB_GB1_52 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 448 455 + CB_GB1_52 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 448 455 CB_GB1_52 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 448 456 - CB_GB1_52 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 448 457 - CB_GB1_52 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 448 461 - CB_GB1_52 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 448 463 + CB_GB1_52 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 448 457 + CB_GB1_52 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 448 461 + CB_GB1_52 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 448 463 CB_GB1_52 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 448 464 - CB_GB1_52 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 448 465 - CB_GB1_52 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 448 471 + CB_GB1_52 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 448 465 + CB_GB1_52 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 448 471 CB_GB1_52 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 448 472 - CB_GB1_52 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 448 473 - CB_GB1_52 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 448 477 - CB_GB1_52 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 448 479 + CB_GB1_52 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 448 473 + CB_GB1_52 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 448 477 + CB_GB1_52 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 448 479 CB_GB1_52 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 448 480 - CB_GB1_52 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 448 481 - CB_GB1_52 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 448 486 - CB_GB1_52 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 448 487 - CB_GB1_52 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 448 488 - CB_GB1_52 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 448 489 - CB_GB1_52 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 448 490 - CB_GB1_52 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 448 491 - C_GB1_52 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 455 460 - C_GB1_52 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 455 462 - C_GB1_52 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 455 468 - C_GB1_52 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 455 469 - C_GB1_52 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 455 470 - C_GB1_52 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 455 476 - C_GB1_52 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 455 478 - C_GB1_52 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 455 484 - C_GB1_52 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 455 485 + CB_GB1_52 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 448 481 + CB_GB1_52 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 448 486 + CB_GB1_52 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 448 487 + CB_GB1_52 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 448 488 + CB_GB1_52 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 448 489 + CB_GB1_52 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 448 490 + CB_GB1_52 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 448 491 + C_GB1_52 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 455 460 + C_GB1_52 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 455 462 + C_GB1_52 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 455 468 + C_GB1_52 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 455 469 + C_GB1_52 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 455 470 + C_GB1_52 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 455 476 + C_GB1_52 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 455 478 + C_GB1_52 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 455 484 + C_GB1_52 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 455 485 O_GB1_52 O_GB1_52 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 456 456 O_GB1_52 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 456 458 O_GB1_52 CB_GB1_53 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 456 460 @@ -36707,15 +36707,15 @@ CG2_GB1_51 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- O_GB1_52 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 456 488 O_GB1_52 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 456 490 O_GB1_52 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 456 491 - N_GB1_53 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 457 460 - N_GB1_53 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 457 462 - N_GB1_53 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 457 468 - N_GB1_53 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 457 469 - N_GB1_53 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 457 470 - N_GB1_53 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 457 476 - N_GB1_53 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 457 478 - N_GB1_53 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 457 484 - N_GB1_53 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 457 485 + N_GB1_53 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 457 460 + N_GB1_53 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 457 462 + N_GB1_53 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 457 468 + N_GB1_53 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 457 469 + N_GB1_53 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 457 470 + N_GB1_53 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 457 476 + N_GB1_53 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 457 478 + N_GB1_53 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 457 484 + N_GB1_53 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 457 485 H_GB1_53 H_GB1_53 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 458 458 H_GB1_53 OG1_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 458 461 H_GB1_53 O_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 458 464 @@ -36729,57 +36729,57 @@ CG2_GB1_51 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- H_GB1_53 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 458 488 H_GB1_53 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 458 490 H_GB1_53 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 458 491 - CB_GB1_53 OG1_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 460 461 - CB_GB1_53 C_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 460 463 + CB_GB1_53 OG1_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 460 461 + CB_GB1_53 C_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 460 463 CB_GB1_53 O_GB1_53 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 460 464 - CB_GB1_53 N_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 460 465 - CB_GB1_53 C_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 460 471 + CB_GB1_53 N_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 460 465 + CB_GB1_53 C_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 460 471 CB_GB1_53 O_GB1_54 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 460 472 - CB_GB1_53 N_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 460 473 - CB_GB1_53 OG1_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 460 477 - CB_GB1_53 C_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 460 479 + CB_GB1_53 N_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 460 473 + CB_GB1_53 OG1_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 460 477 + CB_GB1_53 C_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 460 479 CB_GB1_53 O_GB1_55 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 460 480 - CB_GB1_53 N_GB1_56 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 460 481 - CB_GB1_53 CD_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 460 486 - CB_GB1_53 OE1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 460 487 - CB_GB1_53 OE2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 460 488 - CB_GB1_53 C_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 460 489 - CB_GB1_53 O1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 460 490 - CB_GB1_53 O2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 460 491 -OG1_GB1_53 CG2_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 461 462 + CB_GB1_53 N_GB1_56 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 460 481 + CB_GB1_53 CD_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 460 486 + CB_GB1_53 OE1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 460 487 + CB_GB1_53 OE2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 460 488 + CB_GB1_53 C_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 460 489 + CB_GB1_53 O1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 460 490 + CB_GB1_53 O2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 460 491 +OG1_GB1_53 CG2_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 461 462 OG1_GB1_53 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 461 466 -OG1_GB1_53 CB_GB1_54 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 461 468 -OG1_GB1_53 CG1_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 461 469 -OG1_GB1_53 CG2_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 461 470 +OG1_GB1_53 CB_GB1_54 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 461 468 +OG1_GB1_53 CG1_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 461 469 +OG1_GB1_53 CG2_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 461 470 OG1_GB1_53 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 461 474 -OG1_GB1_53 CB_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 461 476 -OG1_GB1_53 CG2_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 461 478 +OG1_GB1_53 CB_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 461 476 +OG1_GB1_53 CG2_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 461 478 OG1_GB1_53 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 461 482 -OG1_GB1_53 CB_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 461 484 -OG1_GB1_53 CG_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 461 485 -CG2_GB1_53 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 462 463 +OG1_GB1_53 CB_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 461 484 +OG1_GB1_53 CG_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 461 485 +CG2_GB1_53 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 462 463 CG2_GB1_53 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 462 464 -CG2_GB1_53 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 462 465 -CG2_GB1_53 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 462 471 +CG2_GB1_53 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 462 465 +CG2_GB1_53 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 462 471 CG2_GB1_53 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 462 472 -CG2_GB1_53 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 462 473 -CG2_GB1_53 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 462 477 -CG2_GB1_53 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 462 479 +CG2_GB1_53 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 462 473 +CG2_GB1_53 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 462 477 +CG2_GB1_53 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 462 479 CG2_GB1_53 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 462 480 -CG2_GB1_53 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 462 481 -CG2_GB1_53 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 462 486 +CG2_GB1_53 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 462 481 +CG2_GB1_53 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 462 486 CG2_GB1_53 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 462 487 CG2_GB1_53 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 462 488 -CG2_GB1_53 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 462 489 +CG2_GB1_53 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 462 489 CG2_GB1_53 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 462 490 CG2_GB1_53 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 462 491 - C_GB1_53 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 463 468 - C_GB1_53 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 463 469 - C_GB1_53 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 463 470 - C_GB1_53 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 463 476 - C_GB1_53 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 463 478 - C_GB1_53 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 463 484 - C_GB1_53 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 463 485 + C_GB1_53 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 463 468 + C_GB1_53 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 463 469 + C_GB1_53 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 463 470 + C_GB1_53 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 463 476 + C_GB1_53 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 463 478 + C_GB1_53 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 463 484 + C_GB1_53 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 463 485 O_GB1_53 O_GB1_53 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 464 464 O_GB1_53 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 464 466 O_GB1_53 CB_GB1_54 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 464 468 @@ -36797,13 +36797,13 @@ CG2_GB1_53 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- O_GB1_53 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 464 488 O_GB1_53 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 464 490 O_GB1_53 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 464 491 - N_GB1_54 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 465 468 - N_GB1_54 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 465 469 - N_GB1_54 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 465 470 - N_GB1_54 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 465 476 - N_GB1_54 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 465 478 - N_GB1_54 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 465 484 - N_GB1_54 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 465 485 + N_GB1_54 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 465 468 + N_GB1_54 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 465 469 + N_GB1_54 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 465 470 + N_GB1_54 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 465 476 + N_GB1_54 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 465 478 + N_GB1_54 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 465 484 + N_GB1_54 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 465 485 H_GB1_54 H_GB1_54 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 466 466 H_GB1_54 O_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 466 472 H_GB1_54 H_GB1_55 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 466 474 @@ -36814,49 +36814,49 @@ CG2_GB1_53 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- H_GB1_54 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 466 488 H_GB1_54 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 466 490 H_GB1_54 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 466 491 - CB_GB1_54 C_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 468 471 + CB_GB1_54 C_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 468 471 CB_GB1_54 O_GB1_54 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 468 472 - CB_GB1_54 N_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 468 473 - CB_GB1_54 OG1_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 468 477 - CB_GB1_54 C_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 468 479 + CB_GB1_54 N_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 468 473 + CB_GB1_54 OG1_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 468 477 + CB_GB1_54 C_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 468 479 CB_GB1_54 O_GB1_55 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 468 480 - CB_GB1_54 N_GB1_56 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 468 481 - CB_GB1_54 CD_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 468 486 - CB_GB1_54 OE1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 468 487 - CB_GB1_54 OE2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 468 488 - CB_GB1_54 C_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 468 489 - CB_GB1_54 O1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 468 490 - CB_GB1_54 O2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 468 491 -CG1_GB1_54 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 469 471 + CB_GB1_54 N_GB1_56 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 468 481 + CB_GB1_54 CD_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 468 486 + CB_GB1_54 OE1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 468 487 + CB_GB1_54 OE2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 468 488 + CB_GB1_54 C_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 468 489 + CB_GB1_54 O1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 468 490 + CB_GB1_54 O2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 468 491 +CG1_GB1_54 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 469 471 CG1_GB1_54 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 469 472 -CG1_GB1_54 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 469 473 -CG1_GB1_54 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 469 477 -CG1_GB1_54 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 469 479 +CG1_GB1_54 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 469 473 +CG1_GB1_54 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 469 477 +CG1_GB1_54 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 469 479 CG1_GB1_54 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 469 480 -CG1_GB1_54 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 469 481 -CG1_GB1_54 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 469 486 +CG1_GB1_54 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 469 481 +CG1_GB1_54 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 469 486 CG1_GB1_54 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 469 487 CG1_GB1_54 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 469 488 -CG1_GB1_54 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 469 489 +CG1_GB1_54 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 469 489 CG1_GB1_54 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 469 490 CG1_GB1_54 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 469 491 -CG2_GB1_54 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 470 471 +CG2_GB1_54 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 470 471 CG2_GB1_54 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 470 472 -CG2_GB1_54 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 470 473 -CG2_GB1_54 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 470 477 -CG2_GB1_54 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 470 479 +CG2_GB1_54 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 470 473 +CG2_GB1_54 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 470 477 +CG2_GB1_54 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 470 479 CG2_GB1_54 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 470 480 -CG2_GB1_54 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 470 481 -CG2_GB1_54 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 470 486 +CG2_GB1_54 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 470 481 +CG2_GB1_54 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 470 486 CG2_GB1_54 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 470 487 CG2_GB1_54 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 470 488 -CG2_GB1_54 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 470 489 +CG2_GB1_54 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 470 489 CG2_GB1_54 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 470 490 CG2_GB1_54 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 470 491 - C_GB1_54 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 471 476 - C_GB1_54 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 471 478 - C_GB1_54 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 471 484 - C_GB1_54 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 471 485 + C_GB1_54 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 471 476 + C_GB1_54 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 471 478 + C_GB1_54 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 471 484 + C_GB1_54 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 471 485 O_GB1_54 O_GB1_54 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 472 472 O_GB1_54 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 472 474 O_GB1_54 CB_GB1_55 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 472 476 @@ -36869,10 +36869,10 @@ CG2_GB1_54 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- O_GB1_54 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 472 488 O_GB1_54 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 472 490 O_GB1_54 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 472 491 - N_GB1_55 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 473 476 - N_GB1_55 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 473 478 - N_GB1_55 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 473 484 - N_GB1_55 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 473 485 + N_GB1_55 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 473 476 + N_GB1_55 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 473 478 + N_GB1_55 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 473 484 + N_GB1_55 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 473 485 H_GB1_55 H_GB1_55 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 474 474 H_GB1_55 OG1_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 474 477 H_GB1_55 O_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 474 480 @@ -36881,31 +36881,31 @@ CG2_GB1_54 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- H_GB1_55 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 474 488 H_GB1_55 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 474 490 H_GB1_55 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 474 491 - CB_GB1_55 OG1_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.0 1.0 1.0 1.0 False mg 7 476 477 - CB_GB1_55 C_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 476 479 + CB_GB1_55 OG1_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.0 1.0 1.0 1.0 False mg 7 476 477 + CB_GB1_55 C_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 476 479 CB_GB1_55 O_GB1_55 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 476 480 - CB_GB1_55 N_GB1_56 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.0 1.0 1.0 1.0 False mg 7 476 481 - CB_GB1_55 CD_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 476 486 - CB_GB1_55 OE1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 476 487 - CB_GB1_55 OE2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 476 488 - CB_GB1_55 C_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.0 1.0 1.0 1.0 False mg 7 476 489 - CB_GB1_55 O1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 476 490 - CB_GB1_55 O2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.0 1.0 1.0 1.0 False mg 7 476 491 -OG1_GB1_55 CG2_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.0 1.0 1.0 1.0 False mg 7 477 478 + CB_GB1_55 N_GB1_56 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.0 1.0 1.0 1.0 False mg 7 476 481 + CB_GB1_55 CD_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 476 486 + CB_GB1_55 OE1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 476 487 + CB_GB1_55 OE2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 476 488 + CB_GB1_55 C_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.0 1.0 1.0 1.0 False mg 7 476 489 + CB_GB1_55 O1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 476 490 + CB_GB1_55 O2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.0 1.0 1.0 1.0 False mg 7 476 491 +OG1_GB1_55 CG2_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.0 1.0 1.0 1.0 False mg 7 477 478 OG1_GB1_55 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 477 482 -OG1_GB1_55 CB_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 477 484 -OG1_GB1_55 CG_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.0 1.0 1.0 1.0 False mg 7 477 485 -CG2_GB1_55 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 478 479 +OG1_GB1_55 CB_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 477 484 +OG1_GB1_55 CG_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.0 1.0 1.0 1.0 False mg 7 477 485 +CG2_GB1_55 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 478 479 CG2_GB1_55 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 478 480 -CG2_GB1_55 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.0 1.0 1.0 1.0 False mg 7 478 481 -CG2_GB1_55 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 478 486 +CG2_GB1_55 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.0 1.0 1.0 1.0 False mg 7 478 481 +CG2_GB1_55 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 478 486 CG2_GB1_55 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 478 487 CG2_GB1_55 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 478 488 -CG2_GB1_55 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.0 1.0 1.0 1.0 False mg 7 478 489 +CG2_GB1_55 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.0 1.0 1.0 1.0 False mg 7 478 489 CG2_GB1_55 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 478 490 CG2_GB1_55 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.0 1.0 1.0 1.0 False mg 7 478 491 - C_GB1_55 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 479 484 - C_GB1_55 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 479 485 + C_GB1_55 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 479 484 + C_GB1_55 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 479 485 O_GB1_55 O_GB1_55 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 480 480 O_GB1_55 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 480 482 O_GB1_55 CB_GB1_56 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.0 1.0 1.0 1.0 False mg 7 480 484 @@ -36914,25 +36914,25 @@ CG2_GB1_55 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- O_GB1_55 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 480 488 O_GB1_55 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 480 490 O_GB1_55 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 480 491 - N_GB1_56 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 481 484 - N_GB1_56 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.0 1.0 1.0 1.0 False mg 7 481 485 + N_GB1_56 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 481 484 + N_GB1_56 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.0 1.0 1.0 1.0 False mg 7 481 485 H_GB1_56 H_GB1_56 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.0 1.0 1.0 1.0 False mg 7 482 482 H_GB1_56 OE1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 482 487 H_GB1_56 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 482 488 H_GB1_56 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 482 490 H_GB1_56 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.0 1.0 1.0 1.0 False mg 7 482 491 - CB_GB1_56 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 484 486 - CB_GB1_56 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 484 487 - CB_GB1_56 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 484 488 - CB_GB1_56 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 484 489 - CB_GB1_56 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 484 490 - CB_GB1_56 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 484 491 - CG_GB1_56 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 485 486 - CG_GB1_56 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 485 487 - CG_GB1_56 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 485 488 - CG_GB1_56 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.0 1.0 1.0 1.0 False mg 7 485 489 - CG_GB1_56 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 485 490 - CG_GB1_56 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.0 1.0 1.0 1.0 False mg 7 485 491 + CB_GB1_56 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 484 486 + CB_GB1_56 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 484 487 + CB_GB1_56 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 484 488 + CB_GB1_56 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 484 489 + CB_GB1_56 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 484 490 + CB_GB1_56 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 484 491 + CG_GB1_56 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 485 486 + CG_GB1_56 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 485 487 + CG_GB1_56 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 485 488 + CG_GB1_56 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.0 1.0 1.0 1.0 False mg 7 485 489 + CG_GB1_56 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 485 490 + CG_GB1_56 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.0 1.0 1.0 1.0 False mg 7 485 491 OE1_GB1_56 OE1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 487 487 OE1_GB1_56 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 487 488 OE1_GB1_56 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.0 1.0 1.0 1.0 False mg 7 487 490 diff --git a/test/test_outputs/gpref/case_1/topol_mego.top b/test/test_outputs/gpref/case_1/topol_mego.top index 2275127a..f9eeb5b7 100644 --- a/test/test_outputs/gpref/case_1/topol_mego.top +++ b/test/test_outputs/gpref/case_1/topol_mego.top @@ -2339,3234 +2339,3234 @@ GB1 3 [ pairs ] ; ai aj func c6 c12 ; probability rc_probability source 1 4 1 0.000000e+00 5.500000e-07 ; 1.0 1.0 1-4 - 1 5 1 0.000000e+00 1.544132e-06 ; 1.0 1.0 mg - 1 6 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg + 1 5 1 0.000000e+00 1.544134e-06 ; 1.0 1.0 mg + 1 6 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg 1 9 1 0.000000e+00 4.000000e-06 ; 1.0 1.0 1-4 - 1 11 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 1 12 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 1 13 1 0.000000e+00 6.627671e-07 ; 1.0 1.0 mg - 1 14 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 1 15 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 1 16 1 0.000000e+00 4.799381e-07 ; 1.0 1.0 mg - 1 17 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg + 1 11 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 1 12 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 1 13 1 0.000000e+00 6.627589e-07 ; 1.0 1.0 mg + 1 14 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 1 15 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 1 16 1 0.000000e+00 4.799377e-07 ; 1.0 1.0 mg + 1 17 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg 2 5 1 0.000000e+00 5.000000e-07 ; 1.0 1.0 1-4 - 2 6 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 2 12 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 2 13 1 0.000000e+00 5.735738e-06 ; 1.0 1.0 mg - 2 14 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 2 15 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 2 16 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 2 17 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 2 19 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg + 2 6 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 2 12 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 2 13 1 0.000000e+00 5.735719e-06 ; 1.0 1.0 mg + 2 14 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 2 15 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 2 16 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 2 17 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 2 19 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg 3 8 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 3 9 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 3 11 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 3 12 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 3 13 1 0.000000e+00 2.783506e-06 ; 1.0 1.0 mg - 3 14 1 0.000000e+00 1.151981e-05 ; 1.0 1.0 mg - 3 15 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 3 16 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 3 17 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg + 3 11 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 3 12 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 3 13 1 0.000000e+00 2.783464e-06 ; 1.0 1.0 mg + 3 14 1 0.000000e+00 1.151967e-05 ; 1.0 1.0 mg + 3 15 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 3 16 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 3 17 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg 4 7 1 0.000000e+00 1.200000e-06 ; 1.0 1.0 1-4 - 4 8 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 4 9 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 4 11 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 4 12 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 4 15 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 5 7 1 0.000000e+00 2.660570e-06 ; 1.0 1.0 mg - 5 8 1 0.000000e+00 8.466732e-07 ; 1.0 1.0 mg - 5 9 1 0.000000e+00 1.544132e-06 ; 1.0 1.0 mg - 5 11 1 0.000000e+00 1.336327e-05 ; 1.0 1.0 mg - 6 7 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg + 4 8 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 4 9 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 4 11 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 4 12 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 4 15 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 5 7 1 0.000000e+00 2.660563e-06 ; 1.0 1.0 mg + 5 8 1 0.000000e+00 8.466821e-07 ; 1.0 1.0 mg + 5 9 1 0.000000e+00 1.544134e-06 ; 1.0 1.0 mg + 5 11 1 0.000000e+00 1.336341e-05 ; 1.0 1.0 mg + 6 7 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg 6 8 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 6 9 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg + 6 9 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg 7 12 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 7 13 1 0.000000e+00 1.141961e-06 ; 1.0 1.0 mg - 7 14 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg - 7 15 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 7 16 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 7 17 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 7 19 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 7 20 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 7 28 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 8 12 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 8 13 1 0.000000e+00 3.634061e-07 ; 1.0 1.0 mg + 7 13 1 0.000000e+00 1.141943e-06 ; 1.0 1.0 mg + 7 14 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg + 7 15 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 7 16 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 7 17 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 7 19 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 7 20 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 7 28 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 8 12 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 8 13 1 0.000000e+00 3.634051e-07 ; 1.0 1.0 mg 8 14 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 8 15 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 8 15 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 8 16 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 8 17 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 8 18 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 8 19 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 9 13 1 0.000000e+00 1.325534e-07 ; 1.0 1.0 1-4 - 9 14 1 0.000000e+00 5.485852e-07 ; 1.0 1.0 1-4 - 9 17 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 9 19 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 9 20 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 9 21 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 9 28 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 8 18 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 8 19 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 9 13 1 0.000000e+00 1.325518e-07 ; 1.0 1.0 1-4 + 9 14 1 0.000000e+00 5.485800e-07 ; 1.0 1.0 1-4 + 9 17 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 9 19 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 9 20 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 9 21 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 9 28 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 9 29 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 9 30 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 10 13 1 0.000000e+00 2.142698e-08 ; 1.0 1.0 mg - 10 16 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 9 30 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 10 13 1 0.000000e+00 2.142708e-08 ; 1.0 1.0 mg + 10 16 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 10 18 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg - 11 20 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 11 21 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 11 22 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 11 23 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 11 28 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 11 29 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 11 30 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 11 32 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg + 11 20 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 11 21 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 11 22 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 11 23 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 11 28 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 11 29 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 11 30 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 11 32 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg 12 16 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 12 17 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 12 19 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 12 20 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 12 21 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 12 28 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 12 29 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 12 30 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 13 15 1 0.000000e+00 2.854902e-07 ; 1.0 1.0 1-4 - 13 16 1 0.000000e+00 3.634061e-07 ; 1.0 1.0 mg - 13 17 1 0.000000e+00 6.627671e-07 ; 1.0 1.0 mg - 13 18 1 0.000000e+00 2.142698e-08 ; 1.0 1.0 mg - 13 19 1 0.000000e+00 5.735738e-06 ; 1.0 1.0 mg - 13 20 1 0.000000e+00 2.783506e-06 ; 1.0 1.0 mg - 13 28 1 0.000000e+00 1.141961e-06 ; 1.0 1.0 mg - 14 15 1 0.000000e+00 1.181529e-06 ; 1.0 1.0 1-4 + 12 19 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 12 20 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 12 21 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 12 28 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 12 29 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 12 30 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 13 15 1 0.000000e+00 2.854856e-07 ; 1.0 1.0 1-4 + 13 16 1 0.000000e+00 3.634051e-07 ; 1.0 1.0 mg + 13 17 1 0.000000e+00 6.627589e-07 ; 1.0 1.0 mg + 13 18 1 0.000000e+00 2.142708e-08 ; 1.0 1.0 mg + 13 19 1 0.000000e+00 5.735719e-06 ; 1.0 1.0 mg + 13 20 1 0.000000e+00 2.783464e-06 ; 1.0 1.0 mg + 13 28 1 0.000000e+00 1.141943e-06 ; 1.0 1.0 mg + 14 15 1 0.000000e+00 1.181513e-06 ; 1.0 1.0 1-4 14 16 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 14 17 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 14 19 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 14 20 1 0.000000e+00 1.151981e-05 ; 1.0 1.0 mg - 14 28 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg + 14 17 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 14 19 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 14 20 1 0.000000e+00 1.151967e-05 ; 1.0 1.0 mg + 14 28 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg 15 20 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 15 21 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 15 22 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 15 23 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 15 24 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 15 25 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 15 28 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 15 29 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 15 30 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 15 32 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 15 33 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 15 38 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 16 20 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 16 21 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 16 22 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 16 23 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 16 28 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 15 21 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 15 22 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 15 23 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 15 24 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 15 25 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 15 28 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 15 29 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 15 30 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 15 32 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 15 33 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 15 38 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 16 20 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 16 21 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 16 22 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 16 23 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 16 28 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 16 29 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 16 30 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 16 31 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 16 32 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 17 21 1 0.000000e+00 3.016298e-07 ; 1.0 1.0 1-4 - 17 22 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 17 23 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 17 24 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 17 25 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 17 26 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 17 30 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 17 32 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 17 33 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 17 34 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 17 38 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 16 31 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 16 32 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 17 21 1 0.000000e+00 3.016255e-07 ; 1.0 1.0 1-4 + 17 22 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 17 23 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 17 24 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 17 25 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 17 26 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 17 30 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 17 32 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 17 33 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 17 34 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 17 38 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 17 39 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 17 40 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 18 29 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 17 40 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 18 29 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 18 31 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg 19 22 1 0.000000e+00 5.000000e-07 ; 1.0 1.0 1-4 19 23 1 0.000000e+00 5.000000e-07 ; 1.0 1.0 1-4 - 19 24 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 19 25 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 19 26 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 19 27 1 0.000000e+00 5.735738e-06 ; 1.0 1.0 mg - 19 33 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 19 34 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 19 35 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 19 38 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 19 39 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 19 40 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 19 42 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 20 26 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 20 27 1 0.000000e+00 2.783506e-06 ; 1.0 1.0 mg + 19 24 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 19 25 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 19 26 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 19 27 1 0.000000e+00 5.735719e-06 ; 1.0 1.0 mg + 19 33 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 19 34 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 19 35 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 19 38 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 19 39 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 19 40 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 19 42 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 20 26 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 20 27 1 0.000000e+00 2.783464e-06 ; 1.0 1.0 mg 20 29 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 20 30 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 20 32 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 20 33 1 0.000000e+00 1.543890e-05 ; 1.0 1.0 mg - 20 34 1 0.000000e+00 1.543890e-05 ; 1.0 1.0 mg - 20 38 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 20 39 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 20 40 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 21 27 1 0.000000e+00 1.141961e-06 ; 1.0 1.0 mg - 21 28 1 0.000000e+00 6.496425e-07 ; 1.0 1.0 1-4 - 21 29 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 21 30 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 21 32 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 21 33 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 21 38 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 22 28 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 22 29 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 22 30 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 22 32 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 23 28 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 23 29 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 23 30 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 23 32 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 24 28 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 24 29 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 24 30 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 25 28 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 25 29 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 25 30 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 26 28 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg + 20 32 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 20 33 1 0.000000e+00 1.543866e-05 ; 1.0 1.0 mg + 20 34 1 0.000000e+00 1.543866e-05 ; 1.0 1.0 mg + 20 38 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 20 39 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 20 40 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 21 27 1 0.000000e+00 1.141943e-06 ; 1.0 1.0 mg + 21 28 1 0.000000e+00 6.496310e-07 ; 1.0 1.0 1-4 + 21 29 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 21 30 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 21 32 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 21 33 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 21 38 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 22 28 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 22 29 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 22 30 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 22 32 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 23 28 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 23 29 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 23 30 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 23 32 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 24 28 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 24 29 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 24 30 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 25 28 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 25 29 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 25 30 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 26 28 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg 28 33 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 28 34 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 28 35 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 28 36 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 28 38 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 28 39 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 28 40 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 28 42 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 28 43 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 28 47 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 29 33 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 29 34 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 29 35 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 29 38 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 28 34 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 28 35 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 28 36 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 28 38 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 28 39 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 28 40 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 28 42 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 28 43 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 28 47 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 29 33 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 29 34 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 29 35 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 29 38 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 29 39 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 29 40 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 29 41 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 29 42 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg + 29 41 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 29 42 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg 30 34 1 0.000000e+00 5.500000e-07 ; 1.0 1.0 1-4 - 30 35 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 30 36 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 30 37 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 30 40 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 30 42 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 30 43 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 30 44 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 30 47 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 30 35 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 30 36 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 30 37 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 30 40 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 30 42 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 30 43 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 30 44 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 30 47 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 30 48 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 30 49 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 31 39 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 30 49 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 31 39 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 31 41 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg 32 35 1 0.000000e+00 5.000000e-07 ; 1.0 1.0 1-4 - 32 36 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 32 37 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 32 43 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 32 44 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 32 45 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 32 46 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 32 47 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 32 48 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 32 49 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 32 51 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 33 37 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg + 32 36 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 32 37 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 32 43 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 32 44 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 32 45 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 32 46 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 32 47 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 32 48 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 32 49 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 32 51 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 33 37 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg 33 39 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 33 40 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 33 42 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 33 43 1 0.000000e+00 1.543890e-05 ; 1.0 1.0 mg - 33 44 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 33 47 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 33 48 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 33 49 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg + 33 42 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 33 43 1 0.000000e+00 1.543866e-05 ; 1.0 1.0 mg + 33 44 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 33 47 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 33 48 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 33 49 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg 34 38 1 0.000000e+00 1.200000e-06 ; 1.0 1.0 1-4 - 34 39 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 34 40 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 34 42 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 34 43 1 0.000000e+00 1.543890e-05 ; 1.0 1.0 mg - 34 47 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 35 38 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 35 39 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 35 40 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 35 42 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 36 38 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 36 39 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 36 40 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 37 38 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 34 39 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 34 40 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 34 42 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 34 43 1 0.000000e+00 1.543866e-05 ; 1.0 1.0 mg + 34 47 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 35 38 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 35 39 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 35 40 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 35 42 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 36 38 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 36 39 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 36 40 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 37 38 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 38 43 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 38 44 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 38 45 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg - 38 46 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg - 38 47 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 38 48 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 38 49 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 38 51 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 38 52 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 38 56 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 39 43 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 39 44 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg + 38 44 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 38 45 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg + 38 46 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg + 38 47 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 38 48 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 38 49 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 38 51 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 38 52 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 38 56 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 39 43 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 39 44 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg 39 45 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg 39 46 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 39 47 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 39 47 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 39 48 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 39 49 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 39 50 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 39 51 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg + 39 50 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 39 51 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg 40 44 1 0.000000e+00 5.500000e-07 ; 1.0 1.0 1-4 - 40 45 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 40 46 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 40 49 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 40 51 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 40 52 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 40 53 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 40 54 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 40 56 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 40 45 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 40 46 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 40 49 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 40 51 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 40 52 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 40 53 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 40 54 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 40 56 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 40 57 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 40 58 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 41 48 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 40 58 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 41 48 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 41 50 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg 42 45 1 0.000000e+00 5.000000e-07 ; 1.0 1.0 1-4 42 46 1 0.000000e+00 5.000000e-07 ; 1.0 1.0 1-4 - 42 52 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 42 53 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 42 54 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 42 55 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 42 56 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 42 57 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 42 58 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 42 60 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg + 42 52 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 42 53 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 42 54 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 42 55 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 42 56 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 42 57 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 42 58 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 42 60 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg 43 48 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 43 49 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 43 51 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 43 52 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 43 53 1 0.000000e+00 1.543890e-05 ; 1.0 1.0 mg - 43 54 1 0.000000e+00 1.151981e-05 ; 1.0 1.0 mg - 43 56 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 43 57 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 43 58 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg + 43 51 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 43 52 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 43 53 1 0.000000e+00 1.543866e-05 ; 1.0 1.0 mg + 43 54 1 0.000000e+00 1.151967e-05 ; 1.0 1.0 mg + 43 56 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 43 57 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 43 58 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg 44 47 1 0.000000e+00 1.200000e-06 ; 1.0 1.0 1-4 - 44 48 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 44 49 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 44 51 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 44 52 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 44 56 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 45 47 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg + 44 48 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 44 49 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 44 51 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 44 52 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 44 56 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 45 47 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg 45 48 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 45 49 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 45 51 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 46 47 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg + 45 49 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 45 51 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 46 47 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg 46 48 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 46 49 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 46 51 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg + 46 49 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 46 51 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg 47 52 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 47 53 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 47 54 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg - 47 55 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg - 47 56 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 47 57 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 47 58 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 47 60 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 47 61 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 47 65 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 48 52 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 48 53 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg + 47 53 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 47 54 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg + 47 55 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg + 47 56 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 47 57 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 47 58 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 47 60 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 47 61 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 47 65 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 48 52 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 48 53 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg 48 54 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg 48 55 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 48 56 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 48 56 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 48 57 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 48 58 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 48 59 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 48 60 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg + 48 59 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 48 60 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg 49 53 1 0.000000e+00 5.500000e-07 ; 1.0 1.0 1-4 - 49 54 1 0.000000e+00 5.485852e-07 ; 1.0 1.0 1-4 - 49 55 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 49 58 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 49 60 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 49 61 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 49 62 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 49 65 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 49 54 1 0.000000e+00 5.485800e-07 ; 1.0 1.0 1-4 + 49 55 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 49 58 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 49 60 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 49 61 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 49 62 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 49 65 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 49 66 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 49 67 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 50 57 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 49 67 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 50 57 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 50 59 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg 51 55 1 0.000000e+00 5.000000e-07 ; 1.0 1.0 1-4 - 51 61 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 51 62 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 51 63 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 51 64 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 51 65 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 51 66 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 51 67 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 51 69 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg + 51 61 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 51 62 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 51 63 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 51 64 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 51 65 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 51 66 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 51 67 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 51 69 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg 52 57 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 52 58 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 52 60 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 52 61 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 52 62 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 52 65 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 52 66 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 52 67 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg + 52 60 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 52 61 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 52 62 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 52 65 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 52 66 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 52 67 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg 53 56 1 0.000000e+00 1.200000e-06 ; 1.0 1.0 1-4 - 53 57 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 53 58 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 53 60 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 53 61 1 0.000000e+00 1.543890e-05 ; 1.0 1.0 mg - 53 65 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 54 56 1 0.000000e+00 1.181529e-06 ; 1.0 1.0 1-4 + 53 57 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 53 58 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 53 60 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 53 61 1 0.000000e+00 1.543866e-05 ; 1.0 1.0 mg + 53 65 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 54 56 1 0.000000e+00 1.181513e-06 ; 1.0 1.0 1-4 54 57 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 54 58 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 54 60 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 54 61 1 0.000000e+00 1.151981e-05 ; 1.0 1.0 mg - 54 65 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg - 55 56 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg + 54 58 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 54 60 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 54 61 1 0.000000e+00 1.151967e-05 ; 1.0 1.0 mg + 54 65 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg + 55 56 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg 55 57 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 55 58 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 55 60 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg + 55 58 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 55 60 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg 56 61 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 56 62 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 56 63 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg - 56 64 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg - 56 65 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 56 66 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 56 67 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 56 69 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 56 70 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 56 74 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 57 61 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 57 62 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg + 56 62 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 56 63 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg + 56 64 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg + 56 65 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 56 66 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 56 67 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 56 69 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 56 70 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 56 74 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 57 61 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 57 62 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg 57 63 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg 57 64 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 57 65 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 57 65 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 57 66 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 57 67 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 57 68 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 57 69 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg + 57 68 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 57 69 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg 58 62 1 0.000000e+00 5.500000e-07 ; 1.0 1.0 1-4 - 58 63 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 58 64 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 58 67 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 58 69 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 58 70 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 58 71 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 58 74 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 58 63 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 58 64 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 58 67 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 58 69 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 58 70 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 58 71 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 58 74 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 58 75 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 58 76 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 59 66 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 58 76 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 59 66 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 59 68 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg 60 63 1 0.000000e+00 5.000000e-07 ; 1.0 1.0 1-4 60 64 1 0.000000e+00 5.000000e-07 ; 1.0 1.0 1-4 - 60 70 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 60 71 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 60 72 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 60 73 1 0.000000e+00 1.304580e-05 ; 1.0 1.0 mg - 60 74 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 60 75 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 60 76 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 60 78 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg + 60 70 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 60 71 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 60 72 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 60 73 1 0.000000e+00 1.304587e-05 ; 1.0 1.0 mg + 60 74 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 60 75 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 60 76 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 60 78 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg 61 66 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 61 67 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 61 69 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 61 70 1 0.000000e+00 1.543890e-05 ; 1.0 1.0 mg - 61 71 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 61 74 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 61 75 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 61 76 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg + 61 69 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 61 70 1 0.000000e+00 1.543866e-05 ; 1.0 1.0 mg + 61 71 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 61 74 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 61 75 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 61 76 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg 62 65 1 0.000000e+00 1.200000e-06 ; 1.0 1.0 1-4 - 62 66 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 62 67 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 62 69 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 62 70 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 62 74 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 63 65 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg + 62 66 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 62 67 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 62 69 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 62 70 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 62 74 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 63 65 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg 63 66 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 63 67 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 63 69 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 64 65 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg + 63 67 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 63 69 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 64 65 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg 64 66 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 64 67 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 64 69 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg + 64 67 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 64 69 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg 65 70 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 65 71 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 65 72 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 65 73 1 0.000000e+00 2.597362e-06 ; 1.0 1.0 mg - 65 74 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 65 75 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 65 76 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 65 78 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 65 79 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 66 70 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 66 71 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 65 71 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 65 72 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 65 73 1 0.000000e+00 2.597345e-06 ; 1.0 1.0 mg + 65 74 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 65 75 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 65 76 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 65 78 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 65 79 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 66 70 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 66 71 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 66 72 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 66 73 1 0.000000e+00 8.265583e-07 ; 1.0 1.0 mg - 66 74 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 66 73 1 0.000000e+00 8.265638e-07 ; 1.0 1.0 mg + 66 74 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 66 75 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 66 76 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 66 77 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 66 78 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 67 71 1 0.000000e+00 3.016298e-07 ; 1.0 1.0 1-4 + 66 77 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 66 78 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 67 71 1 0.000000e+00 3.016255e-07 ; 1.0 1.0 1-4 67 72 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 67 73 1 0.000000e+00 1.507448e-06 ; 1.0 1.0 mg - 67 76 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 67 78 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 67 79 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 67 73 1 0.000000e+00 1.507443e-06 ; 1.0 1.0 mg + 67 76 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 67 78 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 67 79 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 67 80 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 67 81 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 68 72 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 68 75 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 67 81 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 68 72 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 68 75 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 68 77 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg - 69 72 1 0.000000e+00 4.153495e-07 ; 1.0 1.0 1-4 + 69 72 1 0.000000e+00 4.153528e-07 ; 1.0 1.0 1-4 69 73 1 0.000000e+00 5.000000e-07 ; 1.0 1.0 1-4 - 69 79 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 69 80 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 69 81 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 69 83 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg + 69 79 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 69 80 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 69 81 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 69 83 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg 70 75 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 70 76 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 70 78 1 0.000000e+00 1.543890e-05 ; 1.0 1.0 mg - 70 79 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 70 80 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 70 81 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 71 74 1 0.000000e+00 6.496425e-07 ; 1.0 1.0 1-4 - 71 75 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 71 76 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 71 78 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 71 79 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 72 74 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 70 78 1 0.000000e+00 1.543866e-05 ; 1.0 1.0 mg + 70 79 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 70 80 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 70 81 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 71 74 1 0.000000e+00 6.496310e-07 ; 1.0 1.0 1-4 + 71 75 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 71 76 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 71 78 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 71 79 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 72 74 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 72 75 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 72 76 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 72 77 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 72 78 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 73 74 1 0.000000e+00 2.597362e-06 ; 1.0 1.0 mg - 73 75 1 0.000000e+00 8.265583e-07 ; 1.0 1.0 mg - 73 76 1 0.000000e+00 1.507448e-06 ; 1.0 1.0 mg - 73 78 1 0.000000e+00 6.331016e-06 ; 1.0 1.0 mg - 74 79 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 74 80 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 74 81 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 74 83 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 74 84 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 74 89 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 75 79 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 72 77 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 72 78 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 73 74 1 0.000000e+00 2.597345e-06 ; 1.0 1.0 mg + 73 75 1 0.000000e+00 8.265638e-07 ; 1.0 1.0 mg + 73 76 1 0.000000e+00 1.507443e-06 ; 1.0 1.0 mg + 73 78 1 0.000000e+00 6.330980e-06 ; 1.0 1.0 mg + 74 79 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 74 80 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 74 81 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 74 83 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 74 84 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 74 89 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 75 79 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 75 80 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 75 81 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 75 82 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 75 83 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 76 81 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 76 83 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 76 84 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 76 85 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 76 89 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 75 82 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 75 83 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 76 81 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 76 83 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 76 84 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 76 85 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 76 89 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 76 90 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 76 91 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 77 80 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 76 91 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 77 80 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 77 82 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg - 78 84 1 0.000000e+00 1.543890e-05 ; 1.0 1.0 mg - 78 85 1 0.000000e+00 1.543890e-05 ; 1.0 1.0 mg - 78 86 1 0.000000e+00 1.543890e-05 ; 1.0 1.0 mg - 78 89 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 78 90 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 78 91 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 78 93 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg + 78 84 1 0.000000e+00 1.543866e-05 ; 1.0 1.0 mg + 78 85 1 0.000000e+00 1.543866e-05 ; 1.0 1.0 mg + 78 86 1 0.000000e+00 1.543866e-05 ; 1.0 1.0 mg + 78 89 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 78 90 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 78 91 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 78 93 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg 79 84 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 79 85 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 79 86 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 79 87 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 79 89 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 79 90 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 79 91 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 79 93 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 79 94 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 79 97 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 80 84 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 80 85 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 80 86 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 80 89 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 79 85 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 79 86 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 79 87 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 79 89 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 79 90 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 79 91 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 79 93 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 79 94 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 79 97 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 80 84 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 80 85 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 80 86 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 80 89 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 80 90 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 80 91 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 80 92 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 80 93 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg + 80 92 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 80 93 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg 81 85 1 0.000000e+00 5.500000e-07 ; 1.0 1.0 1-4 - 81 86 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 81 87 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 81 88 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 81 91 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 81 93 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 81 94 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 81 95 1 0.000000e+00 6.627671e-07 ; 1.0 1.0 mg - 81 96 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 81 97 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 81 86 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 81 87 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 81 88 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 81 91 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 81 93 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 81 94 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 81 95 1 0.000000e+00 6.627589e-07 ; 1.0 1.0 mg + 81 96 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 81 97 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 81 98 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 81 99 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 82 90 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 81 99 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 82 90 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 82 92 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg 83 86 1 0.000000e+00 5.000000e-07 ; 1.0 1.0 1-4 - 83 87 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 83 88 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 83 94 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 83 95 1 0.000000e+00 5.735738e-06 ; 1.0 1.0 mg - 83 96 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 83 97 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 83 98 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 83 99 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 83 101 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 84 88 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg + 83 87 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 83 88 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 83 94 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 83 95 1 0.000000e+00 5.735719e-06 ; 1.0 1.0 mg + 83 96 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 83 97 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 83 98 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 83 99 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 83 101 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 84 88 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg 84 90 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 84 91 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 84 93 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 84 94 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 84 95 1 0.000000e+00 2.783506e-06 ; 1.0 1.0 mg - 84 96 1 0.000000e+00 1.151981e-05 ; 1.0 1.0 mg - 84 97 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 84 98 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 84 99 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg + 84 93 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 84 94 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 84 95 1 0.000000e+00 2.783464e-06 ; 1.0 1.0 mg + 84 96 1 0.000000e+00 1.151967e-05 ; 1.0 1.0 mg + 84 97 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 84 98 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 84 99 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg 85 89 1 0.000000e+00 1.200000e-06 ; 1.0 1.0 1-4 - 85 90 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 85 91 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 85 93 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 85 94 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 85 97 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 86 89 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 86 90 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 86 91 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 86 93 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 87 89 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 87 90 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 87 91 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 88 89 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 85 90 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 85 91 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 85 93 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 85 94 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 85 97 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 86 89 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 86 90 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 86 91 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 86 93 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 87 89 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 87 90 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 87 91 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 88 89 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 89 94 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 89 95 1 0.000000e+00 1.141961e-06 ; 1.0 1.0 mg - 89 96 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg - 89 97 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 89 98 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 89 99 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 89 101 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 89 102 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 89 106 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 90 94 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 90 95 1 0.000000e+00 3.634061e-07 ; 1.0 1.0 mg + 89 95 1 0.000000e+00 1.141943e-06 ; 1.0 1.0 mg + 89 96 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg + 89 97 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 89 98 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 89 99 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 89 101 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 89 102 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 89 106 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 90 94 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 90 95 1 0.000000e+00 3.634051e-07 ; 1.0 1.0 mg 90 96 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 90 97 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 90 97 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 90 98 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 90 99 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 90 100 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 90 101 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 91 95 1 0.000000e+00 1.325534e-07 ; 1.0 1.0 1-4 - 91 96 1 0.000000e+00 5.485852e-07 ; 1.0 1.0 1-4 - 91 99 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 91 101 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 91 102 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 91 103 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 91 106 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 90 100 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 90 101 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 91 95 1 0.000000e+00 1.325518e-07 ; 1.0 1.0 1-4 + 91 96 1 0.000000e+00 5.485800e-07 ; 1.0 1.0 1-4 + 91 99 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 91 101 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 91 102 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 91 103 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 91 106 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 91 107 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 91 108 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 92 95 1 0.000000e+00 2.142698e-08 ; 1.0 1.0 mg - 92 98 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 91 108 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 92 95 1 0.000000e+00 2.142708e-08 ; 1.0 1.0 mg + 92 98 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 92 100 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg - 93 102 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 93 103 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 93 104 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 93 105 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 93 106 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 93 107 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 93 108 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 93 110 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg + 93 102 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 93 103 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 93 104 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 93 105 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 93 106 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 93 107 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 93 108 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 93 110 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg 94 98 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 94 99 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 94 101 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 94 102 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 94 103 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 94 106 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 94 107 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 94 108 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 95 97 1 0.000000e+00 2.854902e-07 ; 1.0 1.0 1-4 - 95 98 1 0.000000e+00 3.634061e-07 ; 1.0 1.0 mg - 95 99 1 0.000000e+00 6.627671e-07 ; 1.0 1.0 mg - 95 100 1 0.000000e+00 2.142698e-08 ; 1.0 1.0 mg - 95 101 1 0.000000e+00 5.735738e-06 ; 1.0 1.0 mg - 95 102 1 0.000000e+00 2.783506e-06 ; 1.0 1.0 mg - 95 106 1 0.000000e+00 1.141961e-06 ; 1.0 1.0 mg - 96 97 1 0.000000e+00 1.181529e-06 ; 1.0 1.0 1-4 + 94 101 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 94 102 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 94 103 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 94 106 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 94 107 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 94 108 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 95 97 1 0.000000e+00 2.854856e-07 ; 1.0 1.0 1-4 + 95 98 1 0.000000e+00 3.634051e-07 ; 1.0 1.0 mg + 95 99 1 0.000000e+00 6.627589e-07 ; 1.0 1.0 mg + 95 100 1 0.000000e+00 2.142708e-08 ; 1.0 1.0 mg + 95 101 1 0.000000e+00 5.735719e-06 ; 1.0 1.0 mg + 95 102 1 0.000000e+00 2.783464e-06 ; 1.0 1.0 mg + 95 106 1 0.000000e+00 1.141943e-06 ; 1.0 1.0 mg + 96 97 1 0.000000e+00 1.181513e-06 ; 1.0 1.0 1-4 96 98 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 96 99 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 96 101 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 96 102 1 0.000000e+00 1.151981e-05 ; 1.0 1.0 mg - 96 106 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg + 96 99 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 96 101 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 96 102 1 0.000000e+00 1.151967e-05 ; 1.0 1.0 mg + 96 106 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg 97 102 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 97 103 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 97 104 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg - 97 105 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg - 97 106 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 97 107 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 97 108 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 97 110 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 97 111 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 97 116 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 98 102 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 98 103 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg + 97 103 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 97 104 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg + 97 105 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg + 97 106 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 97 107 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 97 108 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 97 110 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 97 111 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 97 116 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 98 102 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 98 103 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg 98 104 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg 98 105 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 98 106 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 98 106 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 98 107 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 98 108 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 98 109 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 98 110 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg + 98 109 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 98 110 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg 99 103 1 0.000000e+00 5.500000e-07 ; 1.0 1.0 1-4 - 99 104 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 99 105 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 99 108 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 99 110 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 99 111 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 99 112 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 99 116 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 99 104 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 99 105 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 99 108 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 99 110 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 99 111 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 99 112 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 99 116 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 99 117 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 99 118 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 100 107 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 99 118 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 100 107 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 100 109 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg 101 104 1 0.000000e+00 5.000000e-07 ; 1.0 1.0 1-4 101 105 1 0.000000e+00 5.000000e-07 ; 1.0 1.0 1-4 - 101 111 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 101 112 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 101 113 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 101 116 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 101 117 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 101 118 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 101 120 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg + 101 111 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 101 112 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 101 113 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 101 116 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 101 117 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 101 118 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 101 120 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg 102 107 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 102 108 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 102 110 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 102 111 1 0.000000e+00 1.543890e-05 ; 1.0 1.0 mg - 102 112 1 0.000000e+00 1.543890e-05 ; 1.0 1.0 mg - 102 116 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 102 117 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 102 118 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg + 102 110 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 102 111 1 0.000000e+00 1.543866e-05 ; 1.0 1.0 mg + 102 112 1 0.000000e+00 1.543866e-05 ; 1.0 1.0 mg + 102 116 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 102 117 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 102 118 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg 103 106 1 0.000000e+00 1.200000e-06 ; 1.0 1.0 1-4 - 103 107 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 103 108 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 103 110 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 103 111 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 103 116 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 104 106 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg + 103 107 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 103 108 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 103 110 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 103 111 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 103 116 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 104 106 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg 104 107 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 104 108 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 104 110 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 105 106 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg + 104 108 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 104 110 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 105 106 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg 105 107 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 105 108 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 105 110 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg + 105 108 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 105 110 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg 106 111 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 106 112 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 106 113 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 106 114 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 106 116 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 106 117 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 106 118 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 106 120 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 106 121 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 107 111 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 107 112 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 107 113 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 107 116 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 106 112 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 106 113 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 106 114 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 106 116 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 106 117 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 106 118 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 106 120 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 106 121 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 107 111 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 107 112 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 107 113 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 107 116 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 107 117 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 107 118 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 107 119 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 107 120 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg + 107 119 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 107 120 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg 108 112 1 0.000000e+00 5.500000e-07 ; 1.0 1.0 1-4 - 108 113 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 108 114 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 108 115 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 108 118 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 108 120 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 108 121 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 108 113 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 108 114 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 108 115 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 108 118 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 108 120 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 108 121 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 108 122 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 108 123 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 109 117 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 108 123 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 109 117 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 109 119 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg 110 113 1 0.000000e+00 5.000000e-07 ; 1.0 1.0 1-4 - 110 114 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 110 115 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 110 121 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 110 122 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 110 123 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 110 125 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 111 115 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg + 110 114 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 110 115 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 110 121 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 110 122 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 110 123 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 110 125 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 111 115 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg 111 117 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 111 118 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 111 120 1 0.000000e+00 1.543890e-05 ; 1.0 1.0 mg - 111 121 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 111 122 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 111 123 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg + 111 120 1 0.000000e+00 1.543866e-05 ; 1.0 1.0 mg + 111 121 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 111 122 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 111 123 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg 112 116 1 0.000000e+00 1.200000e-06 ; 1.0 1.0 1-4 - 112 117 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 112 118 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 112 120 1 0.000000e+00 1.543890e-05 ; 1.0 1.0 mg - 112 121 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 113 116 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 113 117 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 113 118 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 113 120 1 0.000000e+00 1.543890e-05 ; 1.0 1.0 mg - 114 116 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 114 117 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 114 118 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 115 116 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 116 121 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 116 122 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 116 123 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 116 125 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 116 126 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 116 131 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 117 121 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 112 117 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 112 118 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 112 120 1 0.000000e+00 1.543866e-05 ; 1.0 1.0 mg + 112 121 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 113 116 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 113 117 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 113 118 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 113 120 1 0.000000e+00 1.543866e-05 ; 1.0 1.0 mg + 114 116 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 114 117 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 114 118 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 115 116 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 116 121 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 116 122 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 116 123 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 116 125 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 116 126 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 116 131 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 117 121 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 117 122 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 117 123 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 117 124 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 117 125 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 118 123 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 118 125 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 118 126 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 118 127 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 118 131 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 117 124 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 117 125 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 118 123 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 118 125 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 118 126 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 118 127 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 118 131 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 118 132 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 118 133 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 119 122 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 118 133 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 119 122 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 119 124 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg - 120 126 1 0.000000e+00 1.543890e-05 ; 1.0 1.0 mg - 120 127 1 0.000000e+00 1.543890e-05 ; 1.0 1.0 mg - 120 128 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 120 131 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 120 132 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 120 133 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 120 135 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg + 120 126 1 0.000000e+00 1.543866e-05 ; 1.0 1.0 mg + 120 127 1 0.000000e+00 1.543866e-05 ; 1.0 1.0 mg + 120 128 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 120 131 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 120 132 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 120 133 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 120 135 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg 121 126 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 121 127 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 121 128 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 121 129 1 0.000000e+00 6.694014e-07 ; 1.0 1.0 mg - 121 130 1 0.000000e+00 6.694014e-07 ; 1.0 1.0 mg - 121 131 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 121 132 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 121 133 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 121 135 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 121 136 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 121 139 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 122 126 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 122 127 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 122 128 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 122 131 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 121 127 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 121 128 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 121 129 1 0.000000e+00 6.693984e-07 ; 1.0 1.0 mg + 121 130 1 0.000000e+00 6.693984e-07 ; 1.0 1.0 mg + 121 131 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 121 132 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 121 133 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 121 135 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 121 136 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 121 139 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 122 126 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 122 127 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 122 128 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 122 131 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 122 132 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 122 133 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 122 134 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 122 135 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg + 122 134 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 122 135 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg 123 127 1 0.000000e+00 5.500000e-07 ; 1.0 1.0 1-4 - 123 128 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 123 128 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 123 129 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 123 130 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 123 133 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 123 135 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 123 136 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 123 137 1 0.000000e+00 6.627671e-07 ; 1.0 1.0 mg - 123 138 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 123 139 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 123 133 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 123 135 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 123 136 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 123 137 1 0.000000e+00 6.627589e-07 ; 1.0 1.0 mg + 123 138 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 123 139 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 123 140 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 123 141 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 124 129 1 0.000000e+00 1.256020e-08 ; 1.0 1.0 mg - 124 130 1 0.000000e+00 1.256020e-08 ; 1.0 1.0 mg - 124 132 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 123 141 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 124 129 1 0.000000e+00 1.256040e-08 ; 1.0 1.0 mg + 124 130 1 0.000000e+00 1.256040e-08 ; 1.0 1.0 mg + 124 132 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 124 134 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg 125 128 1 0.000000e+00 5.000000e-07 ; 1.0 1.0 1-4 - 125 129 1 0.000000e+00 3.362209e-06 ; 1.0 1.0 mg - 125 130 1 0.000000e+00 3.362209e-06 ; 1.0 1.0 mg - 125 136 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 125 137 1 0.000000e+00 5.735738e-06 ; 1.0 1.0 mg - 125 138 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 125 139 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 125 140 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 125 141 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 125 143 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg + 125 129 1 0.000000e+00 3.362237e-06 ; 1.0 1.0 mg + 125 130 1 0.000000e+00 3.362237e-06 ; 1.0 1.0 mg + 125 136 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 125 137 1 0.000000e+00 5.735719e-06 ; 1.0 1.0 mg + 125 138 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 125 139 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 125 140 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 125 141 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 125 143 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg 126 132 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 126 133 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 126 135 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 126 136 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 126 137 1 0.000000e+00 2.783506e-06 ; 1.0 1.0 mg - 126 138 1 0.000000e+00 1.151981e-05 ; 1.0 1.0 mg - 126 139 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 126 140 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 126 141 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg + 126 135 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 126 136 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 126 137 1 0.000000e+00 2.783464e-06 ; 1.0 1.0 mg + 126 138 1 0.000000e+00 1.151967e-05 ; 1.0 1.0 mg + 126 139 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 126 140 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 126 141 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg 127 131 1 0.000000e+00 1.200000e-06 ; 1.0 1.0 1-4 - 127 132 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 127 133 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 127 135 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 127 136 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 127 139 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 128 131 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 128 132 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 128 133 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 128 135 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 129 131 1 0.000000e+00 6.694014e-07 ; 1.0 1.0 mg + 127 132 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 127 133 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 127 135 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 127 136 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 127 139 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 128 131 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 128 132 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 128 133 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 128 135 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 129 131 1 0.000000e+00 6.693984e-07 ; 1.0 1.0 mg 129 132 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 129 133 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 130 131 1 0.000000e+00 6.694014e-07 ; 1.0 1.0 mg + 130 131 1 0.000000e+00 6.693984e-07 ; 1.0 1.0 mg 130 132 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 130 133 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 131 136 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 131 137 1 0.000000e+00 1.141961e-06 ; 1.0 1.0 mg - 131 138 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg - 131 139 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 131 140 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 131 141 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 131 143 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 131 144 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 131 147 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 132 136 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 132 137 1 0.000000e+00 3.634061e-07 ; 1.0 1.0 mg + 131 137 1 0.000000e+00 1.141943e-06 ; 1.0 1.0 mg + 131 138 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg + 131 139 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 131 140 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 131 141 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 131 143 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 131 144 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 131 147 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 132 136 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 132 137 1 0.000000e+00 3.634051e-07 ; 1.0 1.0 mg 132 138 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 132 139 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 132 139 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 132 140 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 132 141 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 132 142 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 132 143 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 133 137 1 0.000000e+00 1.325534e-07 ; 1.0 1.0 1-4 - 133 138 1 0.000000e+00 5.485852e-07 ; 1.0 1.0 1-4 - 133 141 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 133 143 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 133 144 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 133 145 1 0.000000e+00 6.627671e-07 ; 1.0 1.0 mg - 133 146 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 133 147 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 132 142 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 132 143 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 133 137 1 0.000000e+00 1.325518e-07 ; 1.0 1.0 1-4 + 133 138 1 0.000000e+00 5.485800e-07 ; 1.0 1.0 1-4 + 133 141 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 133 143 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 133 144 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 133 145 1 0.000000e+00 6.627589e-07 ; 1.0 1.0 mg + 133 146 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 133 147 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 133 148 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 133 149 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 134 137 1 0.000000e+00 2.142698e-08 ; 1.0 1.0 mg - 134 140 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 133 149 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 134 137 1 0.000000e+00 2.142708e-08 ; 1.0 1.0 mg + 134 140 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 134 142 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg - 135 144 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 135 145 1 0.000000e+00 5.735738e-06 ; 1.0 1.0 mg - 135 146 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 135 147 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 135 148 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 135 149 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 135 151 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg + 135 144 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 135 145 1 0.000000e+00 5.735719e-06 ; 1.0 1.0 mg + 135 146 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 135 147 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 135 148 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 135 149 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 135 151 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg 136 140 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 136 141 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 136 143 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 136 144 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 136 145 1 0.000000e+00 5.735738e-06 ; 1.0 1.0 mg - 136 146 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 136 147 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 136 148 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 136 149 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 137 139 1 0.000000e+00 2.854902e-07 ; 1.0 1.0 1-4 - 137 140 1 0.000000e+00 3.634061e-07 ; 1.0 1.0 mg - 137 141 1 0.000000e+00 6.627671e-07 ; 1.0 1.0 mg - 137 142 1 0.000000e+00 2.142698e-08 ; 1.0 1.0 mg - 137 143 1 0.000000e+00 5.735738e-06 ; 1.0 1.0 mg - 137 144 1 0.000000e+00 5.735738e-06 ; 1.0 1.0 mg - 137 147 1 0.000000e+00 1.141961e-06 ; 1.0 1.0 mg - 138 139 1 0.000000e+00 1.181529e-06 ; 1.0 1.0 1-4 + 136 143 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 136 144 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 136 145 1 0.000000e+00 5.735719e-06 ; 1.0 1.0 mg + 136 146 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 136 147 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 136 148 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 136 149 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 137 139 1 0.000000e+00 2.854856e-07 ; 1.0 1.0 1-4 + 137 140 1 0.000000e+00 3.634051e-07 ; 1.0 1.0 mg + 137 141 1 0.000000e+00 6.627589e-07 ; 1.0 1.0 mg + 137 142 1 0.000000e+00 2.142708e-08 ; 1.0 1.0 mg + 137 143 1 0.000000e+00 5.735719e-06 ; 1.0 1.0 mg + 137 144 1 0.000000e+00 5.735719e-06 ; 1.0 1.0 mg + 137 147 1 0.000000e+00 1.141943e-06 ; 1.0 1.0 mg + 138 139 1 0.000000e+00 1.181513e-06 ; 1.0 1.0 1-4 138 140 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 138 141 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 138 143 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 138 144 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 138 147 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg + 138 141 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 138 143 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 138 144 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 138 147 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg 139 144 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 139 145 1 0.000000e+00 1.141961e-06 ; 1.0 1.0 mg - 139 146 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg - 139 147 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 139 148 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 139 149 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 139 151 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 139 152 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 139 155 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 140 144 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 140 145 1 0.000000e+00 3.634061e-07 ; 1.0 1.0 mg + 139 145 1 0.000000e+00 1.141943e-06 ; 1.0 1.0 mg + 139 146 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg + 139 147 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 139 148 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 139 149 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 139 151 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 139 152 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 139 155 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 140 144 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 140 145 1 0.000000e+00 3.634051e-07 ; 1.0 1.0 mg 140 146 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 140 147 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 140 147 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 140 148 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 140 149 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 140 150 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 140 151 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 141 145 1 0.000000e+00 1.325534e-07 ; 1.0 1.0 1-4 - 141 146 1 0.000000e+00 5.485852e-07 ; 1.0 1.0 1-4 - 141 149 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 141 151 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 141 152 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 141 153 1 0.000000e+00 6.627671e-07 ; 1.0 1.0 mg - 141 154 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 141 155 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 140 150 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 140 151 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 141 145 1 0.000000e+00 1.325518e-07 ; 1.0 1.0 1-4 + 141 146 1 0.000000e+00 5.485800e-07 ; 1.0 1.0 1-4 + 141 149 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 141 151 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 141 152 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 141 153 1 0.000000e+00 6.627589e-07 ; 1.0 1.0 mg + 141 154 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 141 155 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 141 156 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 141 157 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 142 145 1 0.000000e+00 2.142698e-08 ; 1.0 1.0 mg - 142 148 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 141 157 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 142 145 1 0.000000e+00 2.142708e-08 ; 1.0 1.0 mg + 142 148 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 142 150 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg - 143 152 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 143 153 1 0.000000e+00 5.735738e-06 ; 1.0 1.0 mg - 143 154 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 143 155 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 143 156 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 143 157 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 143 159 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg + 143 152 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 143 153 1 0.000000e+00 5.735719e-06 ; 1.0 1.0 mg + 143 154 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 143 155 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 143 156 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 143 157 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 143 159 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg 144 148 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 144 149 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 144 151 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 144 152 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 144 153 1 0.000000e+00 5.735738e-06 ; 1.0 1.0 mg - 144 154 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 144 155 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 144 156 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 144 157 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 145 147 1 0.000000e+00 2.854902e-07 ; 1.0 1.0 1-4 - 145 148 1 0.000000e+00 3.634061e-07 ; 1.0 1.0 mg - 145 149 1 0.000000e+00 6.627671e-07 ; 1.0 1.0 mg - 145 150 1 0.000000e+00 2.142698e-08 ; 1.0 1.0 mg - 145 151 1 0.000000e+00 5.735738e-06 ; 1.0 1.0 mg - 145 152 1 0.000000e+00 5.735738e-06 ; 1.0 1.0 mg - 145 155 1 0.000000e+00 1.141961e-06 ; 1.0 1.0 mg - 146 147 1 0.000000e+00 1.181529e-06 ; 1.0 1.0 1-4 + 144 151 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 144 152 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 144 153 1 0.000000e+00 5.735719e-06 ; 1.0 1.0 mg + 144 154 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 144 155 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 144 156 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 144 157 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 145 147 1 0.000000e+00 2.854856e-07 ; 1.0 1.0 1-4 + 145 148 1 0.000000e+00 3.634051e-07 ; 1.0 1.0 mg + 145 149 1 0.000000e+00 6.627589e-07 ; 1.0 1.0 mg + 145 150 1 0.000000e+00 2.142708e-08 ; 1.0 1.0 mg + 145 151 1 0.000000e+00 5.735719e-06 ; 1.0 1.0 mg + 145 152 1 0.000000e+00 5.735719e-06 ; 1.0 1.0 mg + 145 155 1 0.000000e+00 1.141943e-06 ; 1.0 1.0 mg + 146 147 1 0.000000e+00 1.181513e-06 ; 1.0 1.0 1-4 146 148 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 146 149 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 146 151 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 146 152 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 146 155 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg + 146 149 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 146 151 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 146 152 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 146 155 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg 147 152 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 147 153 1 0.000000e+00 1.141961e-06 ; 1.0 1.0 mg - 147 154 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg - 147 155 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 147 156 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 147 157 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 147 159 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 147 160 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 147 165 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 148 152 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 148 153 1 0.000000e+00 3.634061e-07 ; 1.0 1.0 mg + 147 153 1 0.000000e+00 1.141943e-06 ; 1.0 1.0 mg + 147 154 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg + 147 155 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 147 156 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 147 157 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 147 159 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 147 160 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 147 165 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 148 152 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 148 153 1 0.000000e+00 3.634051e-07 ; 1.0 1.0 mg 148 154 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 148 155 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 148 155 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 148 156 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 148 157 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 148 158 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 148 159 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 149 153 1 0.000000e+00 1.325534e-07 ; 1.0 1.0 1-4 - 149 154 1 0.000000e+00 5.485852e-07 ; 1.0 1.0 1-4 - 149 157 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 149 159 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 149 160 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 149 161 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 149 165 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 148 158 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 148 159 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 149 153 1 0.000000e+00 1.325518e-07 ; 1.0 1.0 1-4 + 149 154 1 0.000000e+00 5.485800e-07 ; 1.0 1.0 1-4 + 149 157 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 149 159 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 149 160 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 149 161 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 149 165 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 149 166 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 149 167 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 150 153 1 0.000000e+00 2.142698e-08 ; 1.0 1.0 mg - 150 156 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 149 167 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 150 153 1 0.000000e+00 2.142708e-08 ; 1.0 1.0 mg + 150 156 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 150 158 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg - 151 160 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 151 161 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 151 162 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 151 165 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 151 166 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 151 167 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 151 169 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg + 151 160 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 151 161 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 151 162 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 151 165 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 151 166 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 151 167 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 151 169 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg 152 156 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 152 157 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 152 159 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 152 160 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 152 161 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 152 165 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 152 166 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 152 167 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 153 155 1 0.000000e+00 2.854902e-07 ; 1.0 1.0 1-4 - 153 156 1 0.000000e+00 3.634061e-07 ; 1.0 1.0 mg - 153 157 1 0.000000e+00 6.627671e-07 ; 1.0 1.0 mg - 153 158 1 0.000000e+00 2.142698e-08 ; 1.0 1.0 mg - 153 159 1 0.000000e+00 5.735738e-06 ; 1.0 1.0 mg - 153 160 1 0.000000e+00 2.783506e-06 ; 1.0 1.0 mg - 153 165 1 0.000000e+00 1.141961e-06 ; 1.0 1.0 mg - 154 155 1 0.000000e+00 1.181529e-06 ; 1.0 1.0 1-4 + 152 159 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 152 160 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 152 161 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 152 165 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 152 166 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 152 167 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 153 155 1 0.000000e+00 2.854856e-07 ; 1.0 1.0 1-4 + 153 156 1 0.000000e+00 3.634051e-07 ; 1.0 1.0 mg + 153 157 1 0.000000e+00 6.627589e-07 ; 1.0 1.0 mg + 153 158 1 0.000000e+00 2.142708e-08 ; 1.0 1.0 mg + 153 159 1 0.000000e+00 5.735719e-06 ; 1.0 1.0 mg + 153 160 1 0.000000e+00 2.783464e-06 ; 1.0 1.0 mg + 153 165 1 0.000000e+00 1.141943e-06 ; 1.0 1.0 mg + 154 155 1 0.000000e+00 1.181513e-06 ; 1.0 1.0 1-4 154 156 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 154 157 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 154 159 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 154 160 1 0.000000e+00 1.151981e-05 ; 1.0 1.0 mg - 154 165 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg + 154 157 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 154 159 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 154 160 1 0.000000e+00 1.151967e-05 ; 1.0 1.0 mg + 154 165 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg 155 160 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 155 161 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 155 162 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 155 163 1 0.000000e+00 6.694014e-07 ; 1.0 1.0 mg - 155 164 1 0.000000e+00 6.694014e-07 ; 1.0 1.0 mg - 155 165 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 155 166 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 155 167 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 155 169 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 155 170 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg - 155 171 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 156 160 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 156 161 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 156 162 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 156 165 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 155 161 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 155 162 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 155 163 1 0.000000e+00 6.693984e-07 ; 1.0 1.0 mg + 155 164 1 0.000000e+00 6.693984e-07 ; 1.0 1.0 mg + 155 165 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 155 166 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 155 167 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 155 169 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 155 170 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg + 155 171 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 156 160 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 156 161 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 156 162 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 156 165 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 156 166 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 156 167 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 156 168 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 156 169 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg + 156 168 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 156 169 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg 157 161 1 0.000000e+00 5.500000e-07 ; 1.0 1.0 1-4 - 157 162 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 157 162 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 157 163 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 157 164 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 157 167 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 157 169 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 157 170 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 157 171 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 157 167 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 157 169 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 157 170 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 157 171 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 157 172 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 157 173 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 158 163 1 0.000000e+00 1.256020e-08 ; 1.0 1.0 mg - 158 164 1 0.000000e+00 1.256020e-08 ; 1.0 1.0 mg - 158 166 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 157 173 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 158 163 1 0.000000e+00 1.256040e-08 ; 1.0 1.0 mg + 158 164 1 0.000000e+00 1.256040e-08 ; 1.0 1.0 mg + 158 166 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 158 168 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg 159 162 1 0.000000e+00 5.000000e-07 ; 1.0 1.0 1-4 - 159 163 1 0.000000e+00 3.362209e-06 ; 1.0 1.0 mg - 159 164 1 0.000000e+00 3.362209e-06 ; 1.0 1.0 mg - 159 170 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 159 171 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 159 172 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 159 173 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 159 175 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg + 159 163 1 0.000000e+00 3.362237e-06 ; 1.0 1.0 mg + 159 164 1 0.000000e+00 3.362237e-06 ; 1.0 1.0 mg + 159 170 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 159 171 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 159 172 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 159 173 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 159 175 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg 160 166 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 160 167 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 160 169 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 160 170 1 0.000000e+00 1.151981e-05 ; 1.0 1.0 mg - 160 171 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 160 172 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 160 173 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg + 160 169 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 160 170 1 0.000000e+00 1.151967e-05 ; 1.0 1.0 mg + 160 171 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 160 172 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 160 173 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg 161 165 1 0.000000e+00 1.200000e-06 ; 1.0 1.0 1-4 - 161 166 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 161 167 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 161 169 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 161 170 1 0.000000e+00 1.151981e-05 ; 1.0 1.0 mg - 161 171 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 162 165 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 162 166 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 162 167 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 162 169 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 163 165 1 0.000000e+00 6.694014e-07 ; 1.0 1.0 mg + 161 166 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 161 167 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 161 169 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 161 170 1 0.000000e+00 1.151967e-05 ; 1.0 1.0 mg + 161 171 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 162 165 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 162 166 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 162 167 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 162 169 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 163 165 1 0.000000e+00 6.693984e-07 ; 1.0 1.0 mg 163 166 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 163 167 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 164 165 1 0.000000e+00 6.694014e-07 ; 1.0 1.0 mg + 164 165 1 0.000000e+00 6.693984e-07 ; 1.0 1.0 mg 164 166 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 164 167 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 165 170 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 165 171 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 165 172 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 165 173 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 165 175 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 165 176 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 165 179 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg + 165 170 1 0.000000e+00 1.299665e-06 ; 1.0 1.0 1-4 + 165 171 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 165 172 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 165 173 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 165 175 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 165 176 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 165 179 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg 166 170 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 166 171 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 166 171 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 166 172 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 166 173 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 166 174 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 166 175 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 167 173 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 167 175 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 167 176 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 167 177 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 167 178 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 167 179 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 166 174 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 166 175 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 167 173 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 167 175 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 167 176 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 167 177 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 167 178 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 167 179 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 167 180 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 167 181 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 168 172 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 167 181 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 168 172 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 168 174 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg - 169 176 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 169 177 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 169 178 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 169 179 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 169 180 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 169 181 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 169 183 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg + 169 176 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 169 177 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 169 178 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 169 179 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 169 180 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 169 181 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 169 183 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg 170 172 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 170 173 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 170 175 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 170 176 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 170 177 1 0.000000e+00 8.595562e-06 ; 1.0 1.0 mg - 170 178 1 0.000000e+00 8.595562e-06 ; 1.0 1.0 mg - 170 179 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg + 170 175 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 170 176 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 170 177 1 0.000000e+00 8.595490e-06 ; 1.0 1.0 mg + 170 178 1 0.000000e+00 8.595490e-06 ; 1.0 1.0 mg + 170 179 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg 170 180 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 170 181 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg + 170 181 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg 171 176 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 171 177 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg - 171 178 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg - 171 179 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 171 180 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 171 181 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 171 183 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 171 184 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 171 188 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 172 176 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg + 171 177 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg + 171 178 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg + 171 179 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 171 180 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 171 181 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 171 183 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 171 184 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 171 188 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 172 176 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg 172 177 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg 172 178 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 172 179 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 172 179 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 172 180 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 172 181 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 172 182 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 172 183 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 173 177 1 0.000000e+00 5.485852e-07 ; 1.0 1.0 1-4 - 173 178 1 0.000000e+00 5.485852e-07 ; 1.0 1.0 1-4 - 173 181 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 173 183 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 173 184 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 173 185 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 173 188 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 172 182 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 172 183 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 173 177 1 0.000000e+00 5.485800e-07 ; 1.0 1.0 1-4 + 173 178 1 0.000000e+00 5.485800e-07 ; 1.0 1.0 1-4 + 173 181 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 173 183 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 173 184 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 173 185 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 173 188 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 173 189 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 173 190 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 174 180 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 173 190 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 174 180 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 174 182 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg - 175 184 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 175 185 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 175 186 1 0.000000e+00 3.362209e-06 ; 1.0 1.0 mg - 175 187 1 0.000000e+00 3.362209e-06 ; 1.0 1.0 mg - 175 188 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 175 189 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 175 190 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 175 192 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg + 175 184 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 175 185 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 175 186 1 0.000000e+00 3.362237e-06 ; 1.0 1.0 mg + 175 187 1 0.000000e+00 3.362237e-06 ; 1.0 1.0 mg + 175 188 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 175 189 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 175 190 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 175 192 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg 176 180 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 176 181 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 176 183 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 176 184 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 176 185 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 176 188 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 176 189 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 176 190 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 177 179 1 0.000000e+00 1.181529e-06 ; 1.0 1.0 1-4 + 176 183 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 176 184 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 176 185 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 176 188 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 176 189 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 176 190 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 177 179 1 0.000000e+00 1.181513e-06 ; 1.0 1.0 1-4 177 180 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 177 181 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 177 183 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 177 184 1 0.000000e+00 1.151981e-05 ; 1.0 1.0 mg - 177 188 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg - 178 179 1 0.000000e+00 1.181529e-06 ; 1.0 1.0 1-4 + 177 181 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 177 183 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 177 184 1 0.000000e+00 1.151967e-05 ; 1.0 1.0 mg + 177 188 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg + 178 179 1 0.000000e+00 1.181513e-06 ; 1.0 1.0 1-4 178 180 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 178 181 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 178 183 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 178 184 1 0.000000e+00 1.151981e-05 ; 1.0 1.0 mg - 178 188 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg + 178 181 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 178 183 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 178 184 1 0.000000e+00 1.151967e-05 ; 1.0 1.0 mg + 178 188 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg 179 184 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 179 185 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 179 186 1 0.000000e+00 6.694014e-07 ; 1.0 1.0 mg - 179 187 1 0.000000e+00 6.694014e-07 ; 1.0 1.0 mg - 179 188 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 179 189 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 179 190 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 179 192 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 179 193 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg - 179 194 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 180 184 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 180 185 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 179 185 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 179 186 1 0.000000e+00 6.693984e-07 ; 1.0 1.0 mg + 179 187 1 0.000000e+00 6.693984e-07 ; 1.0 1.0 mg + 179 188 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 179 189 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 179 190 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 179 192 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 179 193 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg + 179 194 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 180 184 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 180 185 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 180 186 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 180 187 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 180 188 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 180 188 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 180 189 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 180 190 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 180 191 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 180 192 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 181 185 1 0.000000e+00 3.016298e-07 ; 1.0 1.0 1-4 + 180 191 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 180 192 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 181 185 1 0.000000e+00 3.016255e-07 ; 1.0 1.0 1-4 181 186 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 181 187 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 181 190 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 181 192 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 181 193 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 181 194 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 181 190 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 181 192 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 181 193 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 181 194 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 181 195 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 181 196 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 182 186 1 0.000000e+00 1.256020e-08 ; 1.0 1.0 mg - 182 187 1 0.000000e+00 1.256020e-08 ; 1.0 1.0 mg - 182 189 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 181 196 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 182 186 1 0.000000e+00 1.256040e-08 ; 1.0 1.0 mg + 182 187 1 0.000000e+00 1.256040e-08 ; 1.0 1.0 mg + 182 189 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 182 191 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg - 183 186 1 0.000000e+00 3.362209e-07 ; 1.0 1.0 1-4 - 183 187 1 0.000000e+00 3.362209e-07 ; 1.0 1.0 1-4 - 183 193 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 183 194 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 183 195 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 183 196 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 183 198 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg + 183 186 1 0.000000e+00 3.362237e-07 ; 1.0 1.0 1-4 + 183 187 1 0.000000e+00 3.362237e-07 ; 1.0 1.0 1-4 + 183 193 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 183 194 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 183 195 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 183 196 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 183 198 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg 184 189 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 184 190 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 184 192 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 184 193 1 0.000000e+00 1.151981e-05 ; 1.0 1.0 mg - 184 194 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 184 195 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 184 196 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 185 188 1 0.000000e+00 6.496425e-07 ; 1.0 1.0 1-4 - 185 189 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 185 190 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 185 192 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 185 193 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg - 185 194 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 186 188 1 0.000000e+00 6.694014e-07 ; 1.0 1.0 mg + 184 192 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 184 193 1 0.000000e+00 1.151967e-05 ; 1.0 1.0 mg + 184 194 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 184 195 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 184 196 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 185 188 1 0.000000e+00 6.496310e-07 ; 1.0 1.0 1-4 + 185 189 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 185 190 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 185 192 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 185 193 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg + 185 194 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 186 188 1 0.000000e+00 6.693984e-07 ; 1.0 1.0 mg 186 189 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 186 190 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 186 191 1 0.000000e+00 1.256020e-08 ; 1.0 1.0 mg - 186 192 1 0.000000e+00 3.362209e-06 ; 1.0 1.0 mg - 187 188 1 0.000000e+00 6.694014e-07 ; 1.0 1.0 mg + 186 191 1 0.000000e+00 1.256040e-08 ; 1.0 1.0 mg + 186 192 1 0.000000e+00 3.362237e-06 ; 1.0 1.0 mg + 187 188 1 0.000000e+00 6.693984e-07 ; 1.0 1.0 mg 187 189 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 187 190 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 187 191 1 0.000000e+00 1.256020e-08 ; 1.0 1.0 mg - 187 192 1 0.000000e+00 3.362209e-06 ; 1.0 1.0 mg - 188 193 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 188 194 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 188 195 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 188 196 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 188 198 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 188 199 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg - 188 200 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg + 187 191 1 0.000000e+00 1.256040e-08 ; 1.0 1.0 mg + 187 192 1 0.000000e+00 3.362237e-06 ; 1.0 1.0 mg + 188 193 1 0.000000e+00 1.299665e-06 ; 1.0 1.0 1-4 + 188 194 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 188 195 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 188 196 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 188 198 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 188 199 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg + 188 200 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg 189 193 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 189 194 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 189 194 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 189 195 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 189 196 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 189 197 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 189 198 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 190 196 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 190 198 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 190 199 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 190 200 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 189 197 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 189 198 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 190 196 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 190 198 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 190 199 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 190 200 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 190 201 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 190 202 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 191 195 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 190 202 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 191 195 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 191 197 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg - 192 199 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 192 200 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 192 201 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 192 202 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 192 204 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg + 192 199 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 192 200 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 192 201 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 192 202 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 192 204 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg 193 195 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 193 196 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 193 198 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 193 199 1 0.000000e+00 8.595562e-06 ; 1.0 1.0 mg - 193 200 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg + 193 198 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 193 199 1 0.000000e+00 8.595490e-06 ; 1.0 1.0 mg + 193 200 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg 193 201 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 193 202 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 194 199 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 194 200 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 194 201 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 194 202 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 194 204 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 194 205 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 194 208 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg + 193 202 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 194 199 1 0.000000e+00 1.299665e-06 ; 1.0 1.0 1-4 + 194 200 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 194 201 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 194 202 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 194 204 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 194 205 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 194 208 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg 195 199 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 195 200 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 195 200 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 195 201 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 195 202 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 195 203 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 195 204 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 196 202 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 196 204 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 196 205 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 196 206 1 0.000000e+00 6.627671e-07 ; 1.0 1.0 mg - 196 207 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 196 208 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 195 203 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 195 204 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 196 202 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 196 204 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 196 205 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 196 206 1 0.000000e+00 6.627589e-07 ; 1.0 1.0 mg + 196 207 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 196 208 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 196 209 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 196 210 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 197 201 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 196 210 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 197 201 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 197 203 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg - 198 205 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 198 206 1 0.000000e+00 5.735738e-06 ; 1.0 1.0 mg - 198 207 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 198 208 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 198 209 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 198 210 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 198 212 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg + 198 205 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 198 206 1 0.000000e+00 5.735719e-06 ; 1.0 1.0 mg + 198 207 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 198 208 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 198 209 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 198 210 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 198 212 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg 199 201 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 199 202 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 199 204 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 199 205 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 199 206 1 0.000000e+00 2.076926e-06 ; 1.0 1.0 mg - 199 207 1 0.000000e+00 8.595562e-06 ; 1.0 1.0 mg - 199 208 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg + 199 204 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 199 205 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 199 206 1 0.000000e+00 2.076903e-06 ; 1.0 1.0 mg + 199 207 1 0.000000e+00 8.595490e-06 ; 1.0 1.0 mg + 199 208 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg 199 209 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 199 210 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg + 199 210 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg 200 205 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 200 206 1 0.000000e+00 1.141961e-06 ; 1.0 1.0 mg - 200 207 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg - 200 208 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 200 209 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 200 210 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 200 212 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 200 213 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg - 200 214 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 201 205 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 201 206 1 0.000000e+00 3.634061e-07 ; 1.0 1.0 mg + 200 206 1 0.000000e+00 1.141943e-06 ; 1.0 1.0 mg + 200 207 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg + 200 208 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 200 209 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 200 210 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 200 212 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 200 213 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg + 200 214 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 201 205 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 201 206 1 0.000000e+00 3.634051e-07 ; 1.0 1.0 mg 201 207 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 201 208 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 201 208 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 201 209 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 201 210 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 201 211 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 201 212 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 202 206 1 0.000000e+00 1.325534e-07 ; 1.0 1.0 1-4 - 202 207 1 0.000000e+00 5.485852e-07 ; 1.0 1.0 1-4 - 202 210 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 202 212 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 202 213 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 202 214 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 201 211 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 201 212 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 202 206 1 0.000000e+00 1.325518e-07 ; 1.0 1.0 1-4 + 202 207 1 0.000000e+00 5.485800e-07 ; 1.0 1.0 1-4 + 202 210 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 202 212 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 202 213 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 202 214 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 202 215 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 202 216 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 203 206 1 0.000000e+00 2.142698e-08 ; 1.0 1.0 mg - 203 209 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 202 216 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 203 206 1 0.000000e+00 2.142708e-08 ; 1.0 1.0 mg + 203 209 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 203 211 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg - 204 213 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 204 214 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 204 215 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 204 216 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 204 218 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg + 204 213 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 204 214 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 204 215 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 204 216 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 204 218 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg 205 209 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 205 210 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 205 212 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 205 213 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 205 214 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 205 215 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 205 216 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 206 208 1 0.000000e+00 2.854902e-07 ; 1.0 1.0 1-4 - 206 209 1 0.000000e+00 3.634061e-07 ; 1.0 1.0 mg - 206 210 1 0.000000e+00 6.627671e-07 ; 1.0 1.0 mg - 206 211 1 0.000000e+00 2.142698e-08 ; 1.0 1.0 mg - 206 212 1 0.000000e+00 5.735738e-06 ; 1.0 1.0 mg - 206 213 1 0.000000e+00 2.076926e-06 ; 1.0 1.0 mg - 206 214 1 0.000000e+00 1.141961e-06 ; 1.0 1.0 mg - 207 208 1 0.000000e+00 1.181529e-06 ; 1.0 1.0 1-4 + 205 212 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 205 213 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 205 214 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 205 215 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 205 216 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 206 208 1 0.000000e+00 2.854856e-07 ; 1.0 1.0 1-4 + 206 209 1 0.000000e+00 3.634051e-07 ; 1.0 1.0 mg + 206 210 1 0.000000e+00 6.627589e-07 ; 1.0 1.0 mg + 206 211 1 0.000000e+00 2.142708e-08 ; 1.0 1.0 mg + 206 212 1 0.000000e+00 5.735719e-06 ; 1.0 1.0 mg + 206 213 1 0.000000e+00 2.076903e-06 ; 1.0 1.0 mg + 206 214 1 0.000000e+00 1.141943e-06 ; 1.0 1.0 mg + 207 208 1 0.000000e+00 1.181513e-06 ; 1.0 1.0 1-4 207 209 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 207 210 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 207 212 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 207 213 1 0.000000e+00 8.595562e-06 ; 1.0 1.0 mg - 207 214 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg - 208 213 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 208 214 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 208 215 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 208 216 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 208 218 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 208 219 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 208 224 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg + 207 210 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 207 212 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 207 213 1 0.000000e+00 8.595490e-06 ; 1.0 1.0 mg + 207 214 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg + 208 213 1 0.000000e+00 1.299665e-06 ; 1.0 1.0 1-4 + 208 214 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 208 215 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 208 216 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 208 218 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 208 219 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 208 224 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg 209 213 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 209 214 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 209 214 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 209 215 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 209 216 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 209 217 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 209 218 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 210 216 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 210 218 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 210 219 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 210 220 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 210 224 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 209 217 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 209 218 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 210 216 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 210 218 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 210 219 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 210 220 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 210 224 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 210 225 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 210 226 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 211 215 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 210 226 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 211 215 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 211 217 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg - 212 219 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 212 220 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 212 221 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 212 224 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 212 225 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 212 226 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 212 228 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg + 212 219 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 212 220 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 212 221 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 212 224 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 212 225 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 212 226 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 212 228 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg 213 215 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 213 216 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 213 218 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 213 219 1 0.000000e+00 1.151981e-05 ; 1.0 1.0 mg - 213 220 1 0.000000e+00 1.151981e-05 ; 1.0 1.0 mg - 213 224 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg + 213 218 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 213 219 1 0.000000e+00 1.151967e-05 ; 1.0 1.0 mg + 213 220 1 0.000000e+00 1.151967e-05 ; 1.0 1.0 mg + 213 224 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg 213 225 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 213 226 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg + 213 226 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg 214 219 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 214 220 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 214 221 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 214 222 1 0.000000e+00 6.694014e-07 ; 1.0 1.0 mg - 214 223 1 0.000000e+00 6.694014e-07 ; 1.0 1.0 mg - 214 224 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 214 225 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 214 226 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 214 228 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 214 229 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 214 234 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 215 219 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 215 220 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 215 221 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 215 224 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 214 220 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 214 221 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 214 222 1 0.000000e+00 6.693984e-07 ; 1.0 1.0 mg + 214 223 1 0.000000e+00 6.693984e-07 ; 1.0 1.0 mg + 214 224 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 214 225 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 214 226 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 214 228 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 214 229 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 214 234 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 215 219 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 215 220 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 215 221 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 215 224 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 215 225 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 215 226 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 215 227 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 215 228 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg + 215 227 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 215 228 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg 216 220 1 0.000000e+00 5.500000e-07 ; 1.0 1.0 1-4 - 216 221 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 216 221 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 216 222 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 216 223 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 216 226 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 216 228 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 216 229 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 216 230 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 216 234 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 216 226 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 216 228 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 216 229 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 216 230 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 216 234 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 216 235 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 216 236 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 217 222 1 0.000000e+00 1.256020e-08 ; 1.0 1.0 mg - 217 223 1 0.000000e+00 1.256020e-08 ; 1.0 1.0 mg - 217 225 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 216 236 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 217 222 1 0.000000e+00 1.256040e-08 ; 1.0 1.0 mg + 217 223 1 0.000000e+00 1.256040e-08 ; 1.0 1.0 mg + 217 225 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 217 227 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg 218 221 1 0.000000e+00 5.000000e-07 ; 1.0 1.0 1-4 - 218 222 1 0.000000e+00 3.362209e-06 ; 1.0 1.0 mg - 218 223 1 0.000000e+00 3.362209e-06 ; 1.0 1.0 mg - 218 229 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 218 230 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 218 231 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 218 234 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 218 235 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 218 236 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 218 238 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg + 218 222 1 0.000000e+00 3.362237e-06 ; 1.0 1.0 mg + 218 223 1 0.000000e+00 3.362237e-06 ; 1.0 1.0 mg + 218 229 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 218 230 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 218 231 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 218 234 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 218 235 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 218 236 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 218 238 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg 219 225 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 219 226 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 219 228 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 219 229 1 0.000000e+00 1.543890e-05 ; 1.0 1.0 mg - 219 230 1 0.000000e+00 1.543890e-05 ; 1.0 1.0 mg - 219 234 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 219 235 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 219 236 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg + 219 228 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 219 229 1 0.000000e+00 1.543866e-05 ; 1.0 1.0 mg + 219 230 1 0.000000e+00 1.543866e-05 ; 1.0 1.0 mg + 219 234 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 219 235 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 219 236 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg 220 224 1 0.000000e+00 1.200000e-06 ; 1.0 1.0 1-4 - 220 225 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 220 226 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 220 228 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 220 229 1 0.000000e+00 1.543890e-05 ; 1.0 1.0 mg - 220 234 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 221 224 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 221 225 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 221 226 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 221 228 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 222 224 1 0.000000e+00 6.694014e-07 ; 1.0 1.0 mg + 220 225 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 220 226 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 220 228 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 220 229 1 0.000000e+00 1.543866e-05 ; 1.0 1.0 mg + 220 234 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 221 224 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 221 225 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 221 226 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 221 228 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 222 224 1 0.000000e+00 6.693984e-07 ; 1.0 1.0 mg 222 225 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 222 226 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 223 224 1 0.000000e+00 6.694014e-07 ; 1.0 1.0 mg + 223 224 1 0.000000e+00 6.693984e-07 ; 1.0 1.0 mg 223 225 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 223 226 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 224 229 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 224 230 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 224 231 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 224 232 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 224 234 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 224 235 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 224 236 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 224 238 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 224 239 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 224 242 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 225 229 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 225 230 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 225 231 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 225 234 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 224 230 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 224 231 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 224 232 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 224 234 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 224 235 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 224 236 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 224 238 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 224 239 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 224 242 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 225 229 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 225 230 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 225 231 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 225 234 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 225 235 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 225 236 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 225 237 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 225 238 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg + 225 237 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 225 238 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg 226 230 1 0.000000e+00 5.500000e-07 ; 1.0 1.0 1-4 - 226 231 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 226 232 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 226 233 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 226 236 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 226 238 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 226 239 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 226 240 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 226 241 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 226 242 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 226 231 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 226 232 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 226 233 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 226 236 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 226 238 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 226 239 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 226 240 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 226 241 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 226 242 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 226 243 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 226 244 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 227 235 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 226 244 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 227 235 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 227 237 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg 228 231 1 0.000000e+00 5.000000e-07 ; 1.0 1.0 1-4 - 228 232 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 228 233 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 228 239 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 228 240 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 228 241 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 228 242 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 228 243 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 228 244 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 228 246 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 229 233 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg + 228 232 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 228 233 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 228 239 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 228 240 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 228 241 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 228 242 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 228 243 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 228 244 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 228 246 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 229 233 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg 229 235 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 229 236 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 229 238 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 229 239 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 229 240 1 0.000000e+00 1.151981e-05 ; 1.0 1.0 mg - 229 241 1 0.000000e+00 1.151981e-05 ; 1.0 1.0 mg - 229 242 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 229 243 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 229 244 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg + 229 238 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 229 239 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 229 240 1 0.000000e+00 1.151967e-05 ; 1.0 1.0 mg + 229 241 1 0.000000e+00 1.151967e-05 ; 1.0 1.0 mg + 229 242 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 229 243 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 229 244 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg 230 234 1 0.000000e+00 1.200000e-06 ; 1.0 1.0 1-4 - 230 235 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 230 236 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 230 238 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 230 239 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 230 242 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 231 234 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 231 235 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 231 236 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 231 238 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 232 234 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 232 235 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 232 236 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 233 234 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 230 235 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 230 236 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 230 238 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 230 239 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 230 242 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 231 234 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 231 235 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 231 236 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 231 238 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 232 234 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 232 235 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 232 236 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 233 234 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 234 239 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 234 240 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg - 234 241 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg - 234 242 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 234 243 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 234 244 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 234 246 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 234 247 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 234 254 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 235 239 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg + 234 240 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg + 234 241 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg + 234 242 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 234 243 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 234 244 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 234 246 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 234 247 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 234 254 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 235 239 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg 235 240 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg 235 241 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 235 242 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 235 242 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 235 243 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 235 244 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 235 245 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 235 246 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 236 240 1 0.000000e+00 5.485852e-07 ; 1.0 1.0 1-4 - 236 241 1 0.000000e+00 5.485852e-07 ; 1.0 1.0 1-4 - 236 244 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 236 246 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 236 247 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 236 248 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 236 254 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 235 245 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 235 246 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 236 240 1 0.000000e+00 5.485800e-07 ; 1.0 1.0 1-4 + 236 241 1 0.000000e+00 5.485800e-07 ; 1.0 1.0 1-4 + 236 244 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 236 246 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 236 247 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 236 248 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 236 254 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 236 255 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 236 256 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 237 243 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 236 256 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 237 243 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 237 245 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg - 238 247 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 238 248 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 238 249 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 238 250 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 238 254 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 238 255 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 238 256 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 238 258 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg + 238 247 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 238 248 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 238 249 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 238 250 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 238 254 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 238 255 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 238 256 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 238 258 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg 239 243 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 239 244 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 239 246 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 239 247 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 239 248 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 239 254 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 239 255 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 239 256 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 240 242 1 0.000000e+00 1.181529e-06 ; 1.0 1.0 1-4 + 239 246 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 239 247 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 239 248 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 239 254 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 239 255 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 239 256 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 240 242 1 0.000000e+00 1.181513e-06 ; 1.0 1.0 1-4 240 243 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 240 244 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 240 246 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 240 247 1 0.000000e+00 1.151981e-05 ; 1.0 1.0 mg - 240 254 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg - 241 242 1 0.000000e+00 1.181529e-06 ; 1.0 1.0 1-4 + 240 244 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 240 246 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 240 247 1 0.000000e+00 1.151967e-05 ; 1.0 1.0 mg + 240 254 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg + 241 242 1 0.000000e+00 1.181513e-06 ; 1.0 1.0 1-4 241 243 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 241 244 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 241 246 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 241 247 1 0.000000e+00 1.151981e-05 ; 1.0 1.0 mg - 241 254 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg + 241 244 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 241 246 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 241 247 1 0.000000e+00 1.151967e-05 ; 1.0 1.0 mg + 241 254 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg 242 247 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 242 248 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 242 249 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 242 250 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 242 251 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 242 252 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 242 254 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 242 255 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 242 256 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 242 258 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 242 259 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 242 264 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 243 247 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 243 248 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 243 249 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 243 250 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 243 254 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 242 248 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 242 249 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 242 250 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 242 251 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 242 252 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 242 254 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 242 255 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 242 256 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 242 258 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 242 259 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 242 264 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 243 247 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 243 248 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 243 249 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 243 250 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 243 254 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 243 255 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 243 256 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 243 257 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 243 258 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 244 248 1 0.000000e+00 3.016298e-07 ; 1.0 1.0 1-4 - 244 249 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 244 250 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 244 251 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 244 252 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 244 253 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 244 256 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 244 258 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 244 259 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 244 260 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 244 264 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 243 257 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 243 258 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 244 248 1 0.000000e+00 3.016255e-07 ; 1.0 1.0 1-4 + 244 249 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 244 250 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 244 251 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 244 252 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 244 253 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 244 256 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 244 258 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 244 259 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 244 260 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 244 264 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 244 265 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 244 266 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 245 255 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 244 266 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 245 255 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 245 257 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg 246 249 1 0.000000e+00 5.000000e-07 ; 1.0 1.0 1-4 246 250 1 0.000000e+00 5.000000e-07 ; 1.0 1.0 1-4 - 246 251 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 246 252 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 246 253 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 246 259 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 246 260 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 246 261 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 246 264 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 246 265 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 246 266 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 246 268 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 247 253 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg + 246 251 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 246 252 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 246 253 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 246 259 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 246 260 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 246 261 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 246 264 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 246 265 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 246 266 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 246 268 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 247 253 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg 247 255 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 247 256 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 247 258 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 247 259 1 0.000000e+00 1.543890e-05 ; 1.0 1.0 mg - 247 260 1 0.000000e+00 1.543890e-05 ; 1.0 1.0 mg - 247 264 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 247 265 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 247 266 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 248 254 1 0.000000e+00 6.496425e-07 ; 1.0 1.0 1-4 - 248 255 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 248 256 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 248 258 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 248 259 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 248 264 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 249 254 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 249 255 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 249 256 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 249 258 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 250 254 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 250 255 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 250 256 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 250 258 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 251 254 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 251 255 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 251 256 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 252 254 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 252 255 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 252 256 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 253 254 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg + 247 258 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 247 259 1 0.000000e+00 1.543866e-05 ; 1.0 1.0 mg + 247 260 1 0.000000e+00 1.543866e-05 ; 1.0 1.0 mg + 247 264 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 247 265 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 247 266 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 248 254 1 0.000000e+00 6.496310e-07 ; 1.0 1.0 1-4 + 248 255 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 248 256 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 248 258 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 248 259 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 248 264 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 249 254 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 249 255 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 249 256 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 249 258 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 250 254 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 250 255 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 250 256 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 250 258 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 251 254 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 251 255 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 251 256 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 252 254 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 252 255 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 252 256 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 253 254 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg 254 259 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 254 260 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 254 261 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 254 262 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 254 264 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 254 265 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 254 266 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 254 268 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 254 269 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 254 274 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 255 259 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 255 260 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 255 261 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 255 264 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 254 260 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 254 261 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 254 262 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 254 264 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 254 265 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 254 266 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 254 268 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 254 269 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 254 274 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 255 259 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 255 260 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 255 261 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 255 264 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 255 265 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 255 266 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 255 267 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 255 268 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg + 255 267 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 255 268 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg 256 260 1 0.000000e+00 5.500000e-07 ; 1.0 1.0 1-4 - 256 261 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 256 262 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 256 263 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 256 266 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 256 268 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 256 269 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 256 270 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 256 274 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 256 261 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 256 262 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 256 263 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 256 266 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 256 268 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 256 269 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 256 270 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 256 274 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 256 275 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 256 276 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 257 265 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 256 276 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 257 265 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 257 267 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg 258 261 1 0.000000e+00 5.000000e-07 ; 1.0 1.0 1-4 - 258 262 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 258 263 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 258 269 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 258 270 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 258 271 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 258 274 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 258 275 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 258 276 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 258 278 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 259 263 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg + 258 262 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 258 263 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 258 269 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 258 270 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 258 271 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 258 274 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 258 275 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 258 276 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 258 278 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 259 263 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg 259 265 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 259 266 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 259 268 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 259 269 1 0.000000e+00 1.543890e-05 ; 1.0 1.0 mg - 259 270 1 0.000000e+00 1.543890e-05 ; 1.0 1.0 mg - 259 274 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 259 275 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 259 276 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg + 259 268 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 259 269 1 0.000000e+00 1.543866e-05 ; 1.0 1.0 mg + 259 270 1 0.000000e+00 1.543866e-05 ; 1.0 1.0 mg + 259 274 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 259 275 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 259 276 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg 260 264 1 0.000000e+00 1.200000e-06 ; 1.0 1.0 1-4 - 260 265 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 260 266 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 260 268 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 260 269 1 0.000000e+00 1.543890e-05 ; 1.0 1.0 mg - 260 274 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 261 264 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 261 265 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 261 266 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 261 268 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 262 264 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 262 265 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 262 266 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 263 264 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 260 265 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 260 266 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 260 268 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 260 269 1 0.000000e+00 1.543866e-05 ; 1.0 1.0 mg + 260 274 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 261 264 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 261 265 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 261 266 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 261 268 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 262 264 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 262 265 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 262 266 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 263 264 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 264 269 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 264 270 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 264 271 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 264 272 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 264 273 1 0.000000e+00 2.597362e-06 ; 1.0 1.0 mg - 264 274 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 264 275 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 264 276 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 264 278 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 264 279 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 264 287 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 265 269 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 265 270 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 265 271 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 265 274 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 264 270 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 264 271 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 264 272 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 264 273 1 0.000000e+00 2.597345e-06 ; 1.0 1.0 mg + 264 274 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 264 275 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 264 276 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 264 278 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 264 279 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 264 287 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 265 269 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 265 270 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 265 271 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 265 274 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 265 275 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 265 276 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 265 277 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 265 278 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg + 265 277 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 265 278 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg 266 270 1 0.000000e+00 5.500000e-07 ; 1.0 1.0 1-4 - 266 271 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 266 271 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 266 272 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 266 273 1 0.000000e+00 1.507448e-06 ; 1.0 1.0 mg - 266 276 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 266 278 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 266 279 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 266 280 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 266 287 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 266 273 1 0.000000e+00 1.507443e-06 ; 1.0 1.0 mg + 266 276 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 266 278 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 266 279 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 266 280 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 266 287 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 266 288 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 266 289 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 267 272 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 267 275 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 266 289 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 267 272 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 267 275 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 267 277 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg 268 271 1 0.000000e+00 5.000000e-07 ; 1.0 1.0 1-4 - 268 272 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 268 273 1 0.000000e+00 1.304580e-05 ; 1.0 1.0 mg - 268 279 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 268 280 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 268 281 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 268 282 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 268 287 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 268 288 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 268 289 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 268 291 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg + 268 272 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 268 273 1 0.000000e+00 1.304587e-05 ; 1.0 1.0 mg + 268 279 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 268 280 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 268 281 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 268 282 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 268 287 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 268 288 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 268 289 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 268 291 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg 269 275 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 269 276 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 269 278 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 269 279 1 0.000000e+00 1.543890e-05 ; 1.0 1.0 mg - 269 280 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 269 287 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 269 288 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 269 289 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg + 269 278 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 269 279 1 0.000000e+00 1.543866e-05 ; 1.0 1.0 mg + 269 280 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 269 287 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 269 288 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 269 289 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg 270 274 1 0.000000e+00 1.200000e-06 ; 1.0 1.0 1-4 - 270 275 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 270 276 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 270 278 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 270 279 1 0.000000e+00 1.543890e-05 ; 1.0 1.0 mg - 270 287 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 271 274 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 271 275 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 271 276 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 271 278 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 272 274 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 270 275 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 270 276 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 270 278 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 270 279 1 0.000000e+00 1.543866e-05 ; 1.0 1.0 mg + 270 287 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 271 274 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 271 275 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 271 276 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 271 278 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 272 274 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 272 275 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 272 276 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 273 274 1 0.000000e+00 2.597362e-06 ; 1.0 1.0 mg - 273 275 1 0.000000e+00 8.265583e-07 ; 1.0 1.0 mg - 273 276 1 0.000000e+00 1.507448e-06 ; 1.0 1.0 mg + 273 274 1 0.000000e+00 2.597345e-06 ; 1.0 1.0 mg + 273 275 1 0.000000e+00 8.265638e-07 ; 1.0 1.0 mg + 273 276 1 0.000000e+00 1.507443e-06 ; 1.0 1.0 mg 274 279 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 274 280 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 274 281 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 274 282 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 274 283 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 274 284 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 274 287 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 274 288 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 274 289 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 274 291 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 274 292 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg - 274 293 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 275 279 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 275 280 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 275 281 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 275 282 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 275 287 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 274 280 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 274 281 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 274 282 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 274 283 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 274 284 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 274 287 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 274 288 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 274 289 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 274 291 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 274 292 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg + 274 293 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 275 279 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 275 280 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 275 281 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 275 282 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 275 287 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 275 288 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 275 289 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 275 290 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 275 291 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 276 280 1 0.000000e+00 3.016298e-07 ; 1.0 1.0 1-4 - 276 281 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 276 282 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 276 283 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 276 284 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 276 285 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 276 289 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 276 291 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 276 292 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 276 293 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 275 290 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 275 291 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 276 280 1 0.000000e+00 3.016255e-07 ; 1.0 1.0 1-4 + 276 281 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 276 282 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 276 283 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 276 284 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 276 285 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 276 289 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 276 291 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 276 292 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 276 293 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 276 294 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 276 295 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 277 288 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 276 295 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 277 288 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 277 290 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg 278 281 1 0.000000e+00 5.000000e-07 ; 1.0 1.0 1-4 278 282 1 0.000000e+00 5.000000e-07 ; 1.0 1.0 1-4 - 278 283 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 278 284 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 278 285 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 278 286 1 0.000000e+00 5.735738e-06 ; 1.0 1.0 mg - 278 292 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 278 293 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 278 294 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 278 295 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 278 297 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 279 285 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 279 286 1 0.000000e+00 2.783506e-06 ; 1.0 1.0 mg + 278 283 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 278 284 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 278 285 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 278 286 1 0.000000e+00 5.735719e-06 ; 1.0 1.0 mg + 278 292 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 278 293 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 278 294 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 278 295 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 278 297 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 279 285 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 279 286 1 0.000000e+00 2.783464e-06 ; 1.0 1.0 mg 279 288 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 279 289 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 279 291 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 279 292 1 0.000000e+00 1.151981e-05 ; 1.0 1.0 mg - 279 293 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 279 294 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 279 295 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 280 286 1 0.000000e+00 1.141961e-06 ; 1.0 1.0 mg - 280 287 1 0.000000e+00 6.496425e-07 ; 1.0 1.0 1-4 - 280 288 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 280 289 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 280 291 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 280 292 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg - 280 293 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 281 287 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 281 288 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 281 289 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 281 291 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 282 287 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 282 288 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 282 289 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 282 291 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 283 287 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 283 288 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 283 289 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 284 287 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 284 288 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 284 289 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 285 287 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 287 292 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 287 293 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 287 294 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 287 295 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 287 297 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 287 298 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 287 302 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg + 279 291 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 279 292 1 0.000000e+00 1.151967e-05 ; 1.0 1.0 mg + 279 293 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 279 294 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 279 295 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 280 286 1 0.000000e+00 1.141943e-06 ; 1.0 1.0 mg + 280 287 1 0.000000e+00 6.496310e-07 ; 1.0 1.0 1-4 + 280 288 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 280 289 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 280 291 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 280 292 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg + 280 293 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 281 287 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 281 288 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 281 289 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 281 291 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 282 287 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 282 288 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 282 289 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 282 291 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 283 287 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 283 288 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 283 289 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 284 287 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 284 288 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 284 289 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 285 287 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 287 292 1 0.000000e+00 1.299665e-06 ; 1.0 1.0 1-4 + 287 293 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 287 294 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 287 295 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 287 297 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 287 298 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 287 302 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg 288 292 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 288 293 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 288 293 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 288 294 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 288 295 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 288 296 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 288 297 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 289 295 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 289 297 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 289 298 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 289 299 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 289 302 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 288 296 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 288 297 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 289 295 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 289 297 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 289 298 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 289 299 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 289 302 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 289 303 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 289 304 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 290 294 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 289 304 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 290 294 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 290 296 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg - 291 298 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 291 299 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 291 300 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 291 301 1 0.000000e+00 1.304580e-05 ; 1.0 1.0 mg - 291 302 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 291 303 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 291 304 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 291 306 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg + 291 298 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 291 299 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 291 300 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 291 301 1 0.000000e+00 1.304587e-05 ; 1.0 1.0 mg + 291 302 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 291 303 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 291 304 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 291 306 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg 292 294 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 292 295 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 292 297 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 292 298 1 0.000000e+00 1.151981e-05 ; 1.0 1.0 mg - 292 299 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg - 292 302 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg + 292 297 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 292 298 1 0.000000e+00 1.151967e-05 ; 1.0 1.0 mg + 292 299 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg + 292 302 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg 292 303 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 292 304 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg + 292 304 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg 293 298 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 293 299 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 293 300 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 293 301 1 0.000000e+00 2.597362e-06 ; 1.0 1.0 mg - 293 302 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 293 303 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 293 304 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 293 306 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 293 307 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 293 311 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 294 298 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 294 299 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 293 299 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 293 300 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 293 301 1 0.000000e+00 2.597345e-06 ; 1.0 1.0 mg + 293 302 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 293 303 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 293 304 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 293 306 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 293 307 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 293 311 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 294 298 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 294 299 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 294 300 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 294 301 1 0.000000e+00 8.265583e-07 ; 1.0 1.0 mg - 294 302 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 294 301 1 0.000000e+00 8.265638e-07 ; 1.0 1.0 mg + 294 302 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 294 303 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 294 304 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 294 305 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 294 306 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 295 299 1 0.000000e+00 3.016298e-07 ; 1.0 1.0 1-4 + 294 305 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 294 306 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 295 299 1 0.000000e+00 3.016255e-07 ; 1.0 1.0 1-4 295 300 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 295 301 1 0.000000e+00 1.507448e-06 ; 1.0 1.0 mg - 295 304 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 295 306 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 295 307 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 295 308 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 295 311 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 295 301 1 0.000000e+00 1.507443e-06 ; 1.0 1.0 mg + 295 304 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 295 306 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 295 307 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 295 308 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 295 311 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 295 312 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 295 313 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 296 300 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 296 303 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 295 313 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 296 300 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 296 303 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 296 305 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg - 297 300 1 0.000000e+00 4.153495e-07 ; 1.0 1.0 1-4 + 297 300 1 0.000000e+00 4.153528e-07 ; 1.0 1.0 1-4 297 301 1 0.000000e+00 5.000000e-07 ; 1.0 1.0 1-4 - 297 307 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 297 308 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 297 309 1 0.000000e+00 3.362209e-06 ; 1.0 1.0 mg - 297 310 1 0.000000e+00 3.362209e-06 ; 1.0 1.0 mg - 297 311 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 297 312 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 297 313 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 297 315 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg + 297 307 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 297 308 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 297 309 1 0.000000e+00 3.362237e-06 ; 1.0 1.0 mg + 297 310 1 0.000000e+00 3.362237e-06 ; 1.0 1.0 mg + 297 311 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 297 312 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 297 313 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 297 315 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg 298 303 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 298 304 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 298 306 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 298 307 1 0.000000e+00 1.543890e-05 ; 1.0 1.0 mg - 298 308 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 298 311 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 298 312 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 298 313 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 299 302 1 0.000000e+00 6.496425e-07 ; 1.0 1.0 1-4 - 299 303 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 299 304 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 299 306 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 299 307 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 299 311 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 300 302 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 298 306 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 298 307 1 0.000000e+00 1.543866e-05 ; 1.0 1.0 mg + 298 308 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 298 311 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 298 312 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 298 313 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 299 302 1 0.000000e+00 6.496310e-07 ; 1.0 1.0 1-4 + 299 303 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 299 304 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 299 306 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 299 307 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 299 311 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 300 302 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 300 303 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 300 304 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 300 305 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 300 306 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 301 302 1 0.000000e+00 2.597362e-06 ; 1.0 1.0 mg - 301 303 1 0.000000e+00 8.265583e-07 ; 1.0 1.0 mg - 301 304 1 0.000000e+00 1.507448e-06 ; 1.0 1.0 mg - 301 306 1 0.000000e+00 1.304580e-05 ; 1.0 1.0 mg + 300 305 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 300 306 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 301 302 1 0.000000e+00 2.597345e-06 ; 1.0 1.0 mg + 301 303 1 0.000000e+00 8.265638e-07 ; 1.0 1.0 mg + 301 304 1 0.000000e+00 1.507443e-06 ; 1.0 1.0 mg + 301 306 1 0.000000e+00 1.304587e-05 ; 1.0 1.0 mg 302 307 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 302 308 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 302 309 1 0.000000e+00 6.694014e-07 ; 1.0 1.0 mg - 302 310 1 0.000000e+00 6.694014e-07 ; 1.0 1.0 mg - 302 311 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 302 312 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 302 313 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 302 315 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 302 316 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 302 320 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 303 307 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 303 308 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 302 308 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 302 309 1 0.000000e+00 6.693984e-07 ; 1.0 1.0 mg + 302 310 1 0.000000e+00 6.693984e-07 ; 1.0 1.0 mg + 302 311 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 302 312 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 302 313 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 302 315 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 302 316 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 302 320 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 303 307 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 303 308 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 303 309 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 303 310 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 303 311 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 303 311 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 303 312 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 303 313 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 303 314 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 303 315 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 304 308 1 0.000000e+00 3.016298e-07 ; 1.0 1.0 1-4 + 303 314 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 303 315 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 304 308 1 0.000000e+00 3.016255e-07 ; 1.0 1.0 1-4 304 309 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 304 310 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 304 313 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 304 315 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 304 316 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 304 317 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 304 320 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 304 313 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 304 315 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 304 316 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 304 317 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 304 320 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 304 321 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 304 322 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 305 309 1 0.000000e+00 1.256020e-08 ; 1.0 1.0 mg - 305 310 1 0.000000e+00 1.256020e-08 ; 1.0 1.0 mg - 305 312 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 304 322 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 305 309 1 0.000000e+00 1.256040e-08 ; 1.0 1.0 mg + 305 310 1 0.000000e+00 1.256040e-08 ; 1.0 1.0 mg + 305 312 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 305 314 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg - 306 309 1 0.000000e+00 3.362209e-07 ; 1.0 1.0 1-4 - 306 310 1 0.000000e+00 3.362209e-07 ; 1.0 1.0 1-4 - 306 316 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 306 317 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 306 318 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 306 319 1 0.000000e+00 1.304580e-05 ; 1.0 1.0 mg - 306 320 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 306 321 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 306 322 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 306 324 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg + 306 309 1 0.000000e+00 3.362237e-07 ; 1.0 1.0 1-4 + 306 310 1 0.000000e+00 3.362237e-07 ; 1.0 1.0 1-4 + 306 316 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 306 317 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 306 318 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 306 319 1 0.000000e+00 1.304587e-05 ; 1.0 1.0 mg + 306 320 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 306 321 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 306 322 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 306 324 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg 307 312 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 307 313 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 307 315 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 307 316 1 0.000000e+00 1.543890e-05 ; 1.0 1.0 mg - 307 317 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 307 320 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 307 321 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 307 322 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 308 311 1 0.000000e+00 6.496425e-07 ; 1.0 1.0 1-4 - 308 312 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 308 313 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 308 315 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 308 316 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 308 320 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 309 311 1 0.000000e+00 6.694014e-07 ; 1.0 1.0 mg + 307 315 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 307 316 1 0.000000e+00 1.543866e-05 ; 1.0 1.0 mg + 307 317 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 307 320 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 307 321 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 307 322 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 308 311 1 0.000000e+00 6.496310e-07 ; 1.0 1.0 1-4 + 308 312 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 308 313 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 308 315 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 308 316 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 308 320 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 309 311 1 0.000000e+00 6.693984e-07 ; 1.0 1.0 mg 309 312 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 309 313 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 309 314 1 0.000000e+00 1.256020e-08 ; 1.0 1.0 mg - 309 315 1 0.000000e+00 3.362209e-06 ; 1.0 1.0 mg - 310 311 1 0.000000e+00 6.694014e-07 ; 1.0 1.0 mg + 309 314 1 0.000000e+00 1.256040e-08 ; 1.0 1.0 mg + 309 315 1 0.000000e+00 3.362237e-06 ; 1.0 1.0 mg + 310 311 1 0.000000e+00 6.693984e-07 ; 1.0 1.0 mg 310 312 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 310 313 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 310 314 1 0.000000e+00 1.256020e-08 ; 1.0 1.0 mg - 310 315 1 0.000000e+00 3.362209e-06 ; 1.0 1.0 mg + 310 314 1 0.000000e+00 1.256040e-08 ; 1.0 1.0 mg + 310 315 1 0.000000e+00 3.362237e-06 ; 1.0 1.0 mg 311 316 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 311 317 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 311 318 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 311 319 1 0.000000e+00 2.597362e-06 ; 1.0 1.0 mg - 311 320 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 311 321 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 311 322 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 311 324 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 311 325 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 312 316 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 312 317 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 311 317 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 311 318 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 311 319 1 0.000000e+00 2.597345e-06 ; 1.0 1.0 mg + 311 320 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 311 321 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 311 322 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 311 324 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 311 325 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 312 316 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 312 317 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 312 318 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 312 319 1 0.000000e+00 8.265583e-07 ; 1.0 1.0 mg - 312 320 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 312 319 1 0.000000e+00 8.265638e-07 ; 1.0 1.0 mg + 312 320 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 312 321 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 312 322 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 312 323 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 312 324 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 313 317 1 0.000000e+00 3.016298e-07 ; 1.0 1.0 1-4 + 312 323 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 312 324 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 313 317 1 0.000000e+00 3.016255e-07 ; 1.0 1.0 1-4 313 318 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 313 319 1 0.000000e+00 1.507448e-06 ; 1.0 1.0 mg - 313 322 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 313 324 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 313 325 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 313 319 1 0.000000e+00 1.507443e-06 ; 1.0 1.0 mg + 313 322 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 313 324 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 313 325 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 313 326 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 313 327 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 314 318 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 314 321 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 313 327 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 314 318 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 314 321 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 314 323 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg - 315 318 1 0.000000e+00 4.153495e-07 ; 1.0 1.0 1-4 + 315 318 1 0.000000e+00 4.153528e-07 ; 1.0 1.0 1-4 315 319 1 0.000000e+00 5.000000e-07 ; 1.0 1.0 1-4 - 315 325 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 315 326 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 315 327 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 315 329 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg + 315 325 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 315 326 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 315 327 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 315 329 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg 316 321 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 316 322 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 316 324 1 0.000000e+00 1.543890e-05 ; 1.0 1.0 mg - 316 325 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 316 326 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 316 327 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 317 320 1 0.000000e+00 6.496425e-07 ; 1.0 1.0 1-4 - 317 321 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 317 322 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 317 324 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 317 325 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 318 320 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 316 324 1 0.000000e+00 1.543866e-05 ; 1.0 1.0 mg + 316 325 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 316 326 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 316 327 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 317 320 1 0.000000e+00 6.496310e-07 ; 1.0 1.0 1-4 + 317 321 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 317 322 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 317 324 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 317 325 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 318 320 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 318 321 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 318 322 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 318 323 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 318 324 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 319 320 1 0.000000e+00 2.597362e-06 ; 1.0 1.0 mg - 319 321 1 0.000000e+00 8.265583e-07 ; 1.0 1.0 mg - 319 322 1 0.000000e+00 1.507448e-06 ; 1.0 1.0 mg - 319 324 1 0.000000e+00 6.331016e-06 ; 1.0 1.0 mg - 320 325 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 320 326 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 320 327 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 320 329 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 320 330 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 320 333 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 321 325 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 318 323 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 318 324 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 319 320 1 0.000000e+00 2.597345e-06 ; 1.0 1.0 mg + 319 321 1 0.000000e+00 8.265638e-07 ; 1.0 1.0 mg + 319 322 1 0.000000e+00 1.507443e-06 ; 1.0 1.0 mg + 319 324 1 0.000000e+00 6.330980e-06 ; 1.0 1.0 mg + 320 325 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 320 326 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 320 327 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 320 329 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 320 330 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 320 333 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 321 325 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 321 326 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 321 327 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 321 328 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 321 329 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 322 327 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 322 329 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 322 330 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 322 331 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 322 332 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 322 333 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 321 328 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 321 329 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 322 327 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 322 329 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 322 330 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 322 331 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 322 332 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 322 333 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 322 334 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 322 335 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 323 326 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 322 335 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 323 326 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 323 328 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg - 324 330 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 324 331 1 0.000000e+00 1.151981e-05 ; 1.0 1.0 mg - 324 332 1 0.000000e+00 1.151981e-05 ; 1.0 1.0 mg - 324 333 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 324 334 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 324 335 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 324 337 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg + 324 330 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 324 331 1 0.000000e+00 1.151967e-05 ; 1.0 1.0 mg + 324 332 1 0.000000e+00 1.151967e-05 ; 1.0 1.0 mg + 324 333 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 324 334 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 324 335 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 324 337 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg 325 330 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 325 331 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg - 325 332 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg - 325 333 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 325 334 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 325 335 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 325 337 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 325 338 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 325 342 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 326 330 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg + 325 331 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg + 325 332 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg + 325 333 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 325 334 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 325 335 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 325 337 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 325 338 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 325 342 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 326 330 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg 326 331 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg 326 332 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 326 333 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 326 333 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 326 334 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 326 335 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 326 336 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 326 337 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 327 331 1 0.000000e+00 5.485852e-07 ; 1.0 1.0 1-4 - 327 332 1 0.000000e+00 5.485852e-07 ; 1.0 1.0 1-4 - 327 335 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 327 337 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 327 338 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 327 339 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 327 342 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 326 336 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 326 337 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 327 331 1 0.000000e+00 5.485800e-07 ; 1.0 1.0 1-4 + 327 332 1 0.000000e+00 5.485800e-07 ; 1.0 1.0 1-4 + 327 335 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 327 337 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 327 338 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 327 339 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 327 342 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 327 343 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 327 344 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 328 334 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 327 344 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 328 334 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 328 336 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg - 329 338 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 329 339 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 329 340 1 0.000000e+00 3.362209e-06 ; 1.0 1.0 mg - 329 341 1 0.000000e+00 3.362209e-06 ; 1.0 1.0 mg - 329 342 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 329 343 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 329 344 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 329 346 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg + 329 338 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 329 339 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 329 340 1 0.000000e+00 3.362237e-06 ; 1.0 1.0 mg + 329 341 1 0.000000e+00 3.362237e-06 ; 1.0 1.0 mg + 329 342 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 329 343 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 329 344 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 329 346 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg 330 334 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 330 335 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 330 337 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 330 338 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 330 339 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 330 342 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 330 343 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 330 344 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 331 333 1 0.000000e+00 1.181529e-06 ; 1.0 1.0 1-4 + 330 337 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 330 338 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 330 339 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 330 342 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 330 343 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 330 344 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 331 333 1 0.000000e+00 1.181513e-06 ; 1.0 1.0 1-4 331 334 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 331 335 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 331 337 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 331 338 1 0.000000e+00 1.151981e-05 ; 1.0 1.0 mg - 331 342 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg - 332 333 1 0.000000e+00 1.181529e-06 ; 1.0 1.0 1-4 + 331 335 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 331 337 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 331 338 1 0.000000e+00 1.151967e-05 ; 1.0 1.0 mg + 331 342 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg + 332 333 1 0.000000e+00 1.181513e-06 ; 1.0 1.0 1-4 332 334 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 332 335 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 332 337 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 332 338 1 0.000000e+00 1.151981e-05 ; 1.0 1.0 mg - 332 342 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg + 332 335 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 332 337 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 332 338 1 0.000000e+00 1.151967e-05 ; 1.0 1.0 mg + 332 342 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg 333 338 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 333 339 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 333 340 1 0.000000e+00 6.694014e-07 ; 1.0 1.0 mg - 333 341 1 0.000000e+00 6.694014e-07 ; 1.0 1.0 mg - 333 342 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 333 343 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 333 344 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 333 346 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 333 347 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 334 338 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 334 339 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 333 339 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 333 340 1 0.000000e+00 6.693984e-07 ; 1.0 1.0 mg + 333 341 1 0.000000e+00 6.693984e-07 ; 1.0 1.0 mg + 333 342 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 333 343 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 333 344 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 333 346 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 333 347 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 334 338 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 334 339 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 334 340 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 334 341 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 334 342 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 334 342 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 334 343 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 334 344 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 334 345 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 334 346 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 335 339 1 0.000000e+00 3.016298e-07 ; 1.0 1.0 1-4 + 334 345 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 334 346 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 335 339 1 0.000000e+00 3.016255e-07 ; 1.0 1.0 1-4 335 340 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 335 341 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 335 344 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 335 346 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 335 347 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 335 344 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 335 346 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 335 347 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 335 348 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 335 349 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 336 340 1 0.000000e+00 1.256020e-08 ; 1.0 1.0 mg - 336 341 1 0.000000e+00 1.256020e-08 ; 1.0 1.0 mg - 336 343 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 335 349 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 336 340 1 0.000000e+00 1.256040e-08 ; 1.0 1.0 mg + 336 341 1 0.000000e+00 1.256040e-08 ; 1.0 1.0 mg + 336 343 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 336 345 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg - 337 340 1 0.000000e+00 3.362209e-07 ; 1.0 1.0 1-4 - 337 341 1 0.000000e+00 3.362209e-07 ; 1.0 1.0 1-4 - 337 347 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 337 348 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 337 349 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 337 351 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg + 337 340 1 0.000000e+00 3.362237e-07 ; 1.0 1.0 1-4 + 337 341 1 0.000000e+00 3.362237e-07 ; 1.0 1.0 1-4 + 337 347 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 337 348 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 337 349 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 337 351 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg 338 343 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 338 344 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 338 346 1 0.000000e+00 1.543890e-05 ; 1.0 1.0 mg - 338 347 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 338 348 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 338 349 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 339 342 1 0.000000e+00 6.496425e-07 ; 1.0 1.0 1-4 - 339 343 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 339 344 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 339 346 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 339 347 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 340 342 1 0.000000e+00 6.694014e-07 ; 1.0 1.0 mg + 338 346 1 0.000000e+00 1.543866e-05 ; 1.0 1.0 mg + 338 347 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 338 348 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 338 349 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 339 342 1 0.000000e+00 6.496310e-07 ; 1.0 1.0 1-4 + 339 343 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 339 344 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 339 346 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 339 347 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 340 342 1 0.000000e+00 6.693984e-07 ; 1.0 1.0 mg 340 343 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 340 344 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 340 345 1 0.000000e+00 1.256020e-08 ; 1.0 1.0 mg - 340 346 1 0.000000e+00 1.631652e-06 ; 1.0 1.0 mg - 341 342 1 0.000000e+00 6.694014e-07 ; 1.0 1.0 mg + 340 345 1 0.000000e+00 1.256040e-08 ; 1.0 1.0 mg + 340 346 1 0.000000e+00 1.631646e-06 ; 1.0 1.0 mg + 341 342 1 0.000000e+00 6.693984e-07 ; 1.0 1.0 mg 341 343 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 341 344 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 341 345 1 0.000000e+00 1.256020e-08 ; 1.0 1.0 mg - 341 346 1 0.000000e+00 1.631652e-06 ; 1.0 1.0 mg - 342 347 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 342 348 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 342 349 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 342 351 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 342 352 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 342 357 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 343 347 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 341 345 1 0.000000e+00 1.256040e-08 ; 1.0 1.0 mg + 341 346 1 0.000000e+00 1.631646e-06 ; 1.0 1.0 mg + 342 347 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 342 348 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 342 349 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 342 351 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 342 352 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 342 357 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 343 347 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 343 348 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 343 349 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 343 350 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 343 351 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 344 349 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 344 351 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 344 352 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 344 353 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 344 357 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 343 350 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 343 351 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 344 349 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 344 351 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 344 352 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 344 353 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 344 357 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 344 358 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 344 359 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 345 348 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 344 359 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 345 348 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 345 350 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg - 346 352 1 0.000000e+00 1.543890e-05 ; 1.0 1.0 mg - 346 353 1 0.000000e+00 1.543890e-05 ; 1.0 1.0 mg - 346 354 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 346 357 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 346 358 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 346 359 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 346 361 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg + 346 352 1 0.000000e+00 1.543866e-05 ; 1.0 1.0 mg + 346 353 1 0.000000e+00 1.543866e-05 ; 1.0 1.0 mg + 346 354 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 346 357 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 346 358 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 346 359 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 346 361 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg 347 352 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 347 353 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 347 354 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 347 355 1 0.000000e+00 6.694014e-07 ; 1.0 1.0 mg - 347 356 1 0.000000e+00 6.694014e-07 ; 1.0 1.0 mg - 347 357 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 347 358 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 347 359 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 347 361 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 347 362 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 347 372 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 348 352 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 348 353 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 348 354 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 348 357 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 347 353 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 347 354 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 347 355 1 0.000000e+00 6.693984e-07 ; 1.0 1.0 mg + 347 356 1 0.000000e+00 6.693984e-07 ; 1.0 1.0 mg + 347 357 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 347 358 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 347 359 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 347 361 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 347 362 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 347 372 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 348 352 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 348 353 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 348 354 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 348 357 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 348 358 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 348 359 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 348 360 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 348 361 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg + 348 360 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 348 361 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg 349 353 1 0.000000e+00 5.500000e-07 ; 1.0 1.0 1-4 - 349 354 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 349 354 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 349 355 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 349 356 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 349 359 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 349 361 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 349 362 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 349 363 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 349 372 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 349 359 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 349 361 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 349 362 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 349 363 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 349 372 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 349 373 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 349 374 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 350 355 1 0.000000e+00 1.256020e-08 ; 1.0 1.0 mg - 350 356 1 0.000000e+00 1.256020e-08 ; 1.0 1.0 mg - 350 358 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 349 374 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 350 355 1 0.000000e+00 1.256040e-08 ; 1.0 1.0 mg + 350 356 1 0.000000e+00 1.256040e-08 ; 1.0 1.0 mg + 350 358 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 350 360 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg 351 354 1 0.000000e+00 5.000000e-07 ; 1.0 1.0 1-4 - 351 355 1 0.000000e+00 3.362209e-06 ; 1.0 1.0 mg - 351 356 1 0.000000e+00 3.362209e-06 ; 1.0 1.0 mg - 351 362 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 351 363 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 351 364 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 351 365 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 351 372 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 351 373 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 351 374 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 351 376 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg + 351 355 1 0.000000e+00 3.362237e-06 ; 1.0 1.0 mg + 351 356 1 0.000000e+00 3.362237e-06 ; 1.0 1.0 mg + 351 362 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 351 363 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 351 364 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 351 365 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 351 372 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 351 373 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 351 374 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 351 376 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg 352 358 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 352 359 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 352 361 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 352 362 1 0.000000e+00 1.543890e-05 ; 1.0 1.0 mg - 352 363 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 352 372 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 352 373 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 352 374 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg + 352 361 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 352 362 1 0.000000e+00 1.543866e-05 ; 1.0 1.0 mg + 352 363 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 352 372 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 352 373 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 352 374 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg 353 357 1 0.000000e+00 1.200000e-06 ; 1.0 1.0 1-4 - 353 358 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 353 359 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 353 361 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 353 362 1 0.000000e+00 1.543890e-05 ; 1.0 1.0 mg - 353 372 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 354 357 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 354 358 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 354 359 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 354 361 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 355 357 1 0.000000e+00 6.694014e-07 ; 1.0 1.0 mg + 353 358 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 353 359 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 353 361 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 353 362 1 0.000000e+00 1.543866e-05 ; 1.0 1.0 mg + 353 372 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 354 357 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 354 358 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 354 359 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 354 361 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 355 357 1 0.000000e+00 6.693984e-07 ; 1.0 1.0 mg 355 358 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 355 359 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 356 357 1 0.000000e+00 6.694014e-07 ; 1.0 1.0 mg + 356 357 1 0.000000e+00 6.693984e-07 ; 1.0 1.0 mg 356 358 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 356 359 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 357 362 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 357 363 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 357 364 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 357 365 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 357 366 1 0.000000e+00 1.978471e-06 ; 1.0 1.0 mg - 357 367 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 357 368 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 357 372 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 357 373 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 357 374 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 357 376 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 357 377 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 357 380 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 358 362 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 358 363 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 358 364 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 358 365 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 358 372 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 357 363 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 357 364 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 357 365 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 357 366 1 0.000000e+00 1.978435e-06 ; 1.0 1.0 mg + 357 367 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 357 368 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 357 372 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 357 373 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 357 374 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 357 376 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 357 377 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 357 380 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 358 362 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 358 363 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 358 364 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 358 365 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 358 372 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 358 373 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 358 374 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 358 375 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 358 376 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 359 363 1 0.000000e+00 3.016298e-07 ; 1.0 1.0 1-4 - 359 364 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 359 365 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 359 366 1 0.000000e+00 1.148258e-06 ; 1.0 1.0 mg - 359 367 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 359 368 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 359 369 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 359 370 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 359 374 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 359 376 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 359 377 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 359 378 1 0.000000e+00 6.627671e-07 ; 1.0 1.0 mg - 359 379 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 359 380 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 358 375 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 358 376 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 359 363 1 0.000000e+00 3.016255e-07 ; 1.0 1.0 1-4 + 359 364 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 359 365 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 359 366 1 0.000000e+00 1.148241e-06 ; 1.0 1.0 mg + 359 367 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 359 368 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 359 369 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 359 370 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 359 374 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 359 376 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 359 377 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 359 378 1 0.000000e+00 6.627589e-07 ; 1.0 1.0 mg + 359 379 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 359 380 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 359 381 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 359 382 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 360 373 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 359 382 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 360 373 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 360 375 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg 361 364 1 0.000000e+00 5.000000e-07 ; 1.0 1.0 1-4 361 365 1 0.000000e+00 5.000000e-07 ; 1.0 1.0 1-4 - 361 366 1 0.000000e+00 9.937288e-06 ; 1.0 1.0 mg - 361 367 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 361 368 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 361 369 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 361 370 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 361 371 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 361 377 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 361 378 1 0.000000e+00 5.735738e-06 ; 1.0 1.0 mg - 361 379 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 361 380 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 361 381 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 361 382 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 361 384 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 362 369 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 362 370 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 362 371 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg + 361 366 1 0.000000e+00 9.937231e-06 ; 1.0 1.0 mg + 361 367 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 361 368 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 361 369 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 361 370 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 361 371 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 361 377 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 361 378 1 0.000000e+00 5.735719e-06 ; 1.0 1.0 mg + 361 379 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 361 380 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 361 381 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 361 382 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 361 384 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 362 369 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 362 370 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 362 371 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg 362 373 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 362 374 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 362 376 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 362 377 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 362 378 1 0.000000e+00 2.783506e-06 ; 1.0 1.0 mg - 362 379 1 0.000000e+00 1.151981e-05 ; 1.0 1.0 mg - 362 380 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 362 381 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 362 382 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 363 371 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 363 372 1 0.000000e+00 6.496425e-07 ; 1.0 1.0 1-4 - 363 373 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 363 374 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 363 376 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 363 377 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 363 380 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 364 370 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 364 371 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 364 372 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 364 373 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 364 374 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 364 376 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 365 372 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 365 373 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 365 374 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 365 376 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 366 370 1 0.000000e+00 1.978471e-06 ; 1.0 1.0 mg - 366 372 1 0.000000e+00 1.978471e-06 ; 1.0 1.0 mg - 366 373 1 0.000000e+00 6.296088e-07 ; 1.0 1.0 mg - 366 374 1 0.000000e+00 1.148258e-06 ; 1.0 1.0 mg - 367 372 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 367 373 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 367 374 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 368 372 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 368 373 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 368 374 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 369 372 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 370 372 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg + 362 376 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 362 377 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 362 378 1 0.000000e+00 2.783464e-06 ; 1.0 1.0 mg + 362 379 1 0.000000e+00 1.151967e-05 ; 1.0 1.0 mg + 362 380 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 362 381 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 362 382 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 363 371 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 363 372 1 0.000000e+00 6.496310e-07 ; 1.0 1.0 1-4 + 363 373 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 363 374 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 363 376 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 363 377 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 363 380 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 364 370 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 364 371 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 364 372 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 364 373 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 364 374 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 364 376 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 365 372 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 365 373 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 365 374 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 365 376 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 366 370 1 0.000000e+00 1.978435e-06 ; 1.0 1.0 mg + 366 372 1 0.000000e+00 1.978435e-06 ; 1.0 1.0 mg + 366 373 1 0.000000e+00 6.296056e-07 ; 1.0 1.0 mg + 366 374 1 0.000000e+00 1.148241e-06 ; 1.0 1.0 mg + 367 372 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 367 373 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 367 374 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 368 372 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 368 373 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 368 374 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 369 372 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 370 372 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg 372 377 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 372 378 1 0.000000e+00 1.141961e-06 ; 1.0 1.0 mg - 372 379 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg - 372 380 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 372 381 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 372 382 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 372 384 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 372 385 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 372 393 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 373 377 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 373 378 1 0.000000e+00 3.634061e-07 ; 1.0 1.0 mg + 372 378 1 0.000000e+00 1.141943e-06 ; 1.0 1.0 mg + 372 379 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg + 372 380 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 372 381 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 372 382 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 372 384 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 372 385 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 372 393 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 373 377 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 373 378 1 0.000000e+00 3.634051e-07 ; 1.0 1.0 mg 373 379 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 373 380 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 373 380 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 373 381 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 373 382 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 373 383 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 373 384 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 374 378 1 0.000000e+00 1.325534e-07 ; 1.0 1.0 1-4 - 374 379 1 0.000000e+00 5.485852e-07 ; 1.0 1.0 1-4 - 374 382 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 374 384 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 374 385 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 374 386 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 374 393 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 373 383 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 373 384 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 374 378 1 0.000000e+00 1.325518e-07 ; 1.0 1.0 1-4 + 374 379 1 0.000000e+00 5.485800e-07 ; 1.0 1.0 1-4 + 374 382 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 374 384 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 374 385 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 374 386 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 374 393 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 374 394 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 374 395 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 375 378 1 0.000000e+00 2.142698e-08 ; 1.0 1.0 mg - 375 381 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 374 395 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 375 378 1 0.000000e+00 2.142708e-08 ; 1.0 1.0 mg + 375 381 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 375 383 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg - 376 385 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 376 386 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 376 387 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 376 388 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 376 393 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 376 394 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 376 395 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 376 397 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg + 376 385 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 376 386 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 376 387 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 376 388 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 376 393 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 376 394 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 376 395 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 376 397 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg 377 381 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 377 382 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 377 384 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 377 385 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 377 386 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 377 393 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 377 394 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 377 395 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 378 380 1 0.000000e+00 2.854902e-07 ; 1.0 1.0 1-4 - 378 381 1 0.000000e+00 3.634061e-07 ; 1.0 1.0 mg - 378 382 1 0.000000e+00 6.627671e-07 ; 1.0 1.0 mg - 378 383 1 0.000000e+00 2.142698e-08 ; 1.0 1.0 mg - 378 384 1 0.000000e+00 5.735738e-06 ; 1.0 1.0 mg - 378 385 1 0.000000e+00 2.783506e-06 ; 1.0 1.0 mg - 378 393 1 0.000000e+00 1.141961e-06 ; 1.0 1.0 mg - 379 380 1 0.000000e+00 1.181529e-06 ; 1.0 1.0 1-4 + 377 384 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 377 385 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 377 386 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 377 393 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 377 394 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 377 395 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 378 380 1 0.000000e+00 2.854856e-07 ; 1.0 1.0 1-4 + 378 381 1 0.000000e+00 3.634051e-07 ; 1.0 1.0 mg + 378 382 1 0.000000e+00 6.627589e-07 ; 1.0 1.0 mg + 378 383 1 0.000000e+00 2.142708e-08 ; 1.0 1.0 mg + 378 384 1 0.000000e+00 5.735719e-06 ; 1.0 1.0 mg + 378 385 1 0.000000e+00 2.783464e-06 ; 1.0 1.0 mg + 378 393 1 0.000000e+00 1.141943e-06 ; 1.0 1.0 mg + 379 380 1 0.000000e+00 1.181513e-06 ; 1.0 1.0 1-4 379 381 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 379 382 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 379 384 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 379 385 1 0.000000e+00 1.151981e-05 ; 1.0 1.0 mg - 379 393 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg + 379 382 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 379 384 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 379 385 1 0.000000e+00 1.151967e-05 ; 1.0 1.0 mg + 379 393 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg 380 385 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 380 386 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 380 387 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 380 388 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 380 389 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 380 390 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 380 393 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 380 394 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 380 395 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 380 397 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 380 398 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 380 402 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 381 385 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 381 386 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 381 387 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 381 388 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 381 393 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 380 386 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 380 387 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 380 388 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 380 389 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 380 390 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 380 393 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 380 394 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 380 395 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 380 397 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 380 398 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 380 402 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 381 385 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 381 386 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 381 387 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 381 388 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 381 393 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 381 394 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 381 395 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 381 396 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 381 397 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 382 386 1 0.000000e+00 3.016298e-07 ; 1.0 1.0 1-4 - 382 387 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 382 388 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 382 389 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 382 390 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 382 391 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 382 395 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 382 397 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 382 398 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 382 399 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 382 402 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 381 396 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 381 397 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 382 386 1 0.000000e+00 3.016255e-07 ; 1.0 1.0 1-4 + 382 387 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 382 388 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 382 389 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 382 390 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 382 391 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 382 395 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 382 397 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 382 398 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 382 399 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 382 402 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 382 403 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 382 404 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 383 394 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 382 404 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 383 394 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 383 396 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg 384 387 1 0.000000e+00 5.000000e-07 ; 1.0 1.0 1-4 384 388 1 0.000000e+00 5.000000e-07 ; 1.0 1.0 1-4 - 384 389 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 384 390 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 384 391 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 384 392 1 0.000000e+00 5.735738e-06 ; 1.0 1.0 mg - 384 398 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 384 399 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 384 400 1 0.000000e+00 3.362209e-06 ; 1.0 1.0 mg - 384 401 1 0.000000e+00 3.362209e-06 ; 1.0 1.0 mg - 384 402 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 384 403 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 384 404 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 384 406 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 385 391 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 385 392 1 0.000000e+00 2.783506e-06 ; 1.0 1.0 mg + 384 389 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 384 390 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 384 391 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 384 392 1 0.000000e+00 5.735719e-06 ; 1.0 1.0 mg + 384 398 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 384 399 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 384 400 1 0.000000e+00 3.362237e-06 ; 1.0 1.0 mg + 384 401 1 0.000000e+00 3.362237e-06 ; 1.0 1.0 mg + 384 402 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 384 403 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 384 404 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 384 406 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 385 391 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 385 392 1 0.000000e+00 2.783464e-06 ; 1.0 1.0 mg 385 394 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 385 395 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 385 397 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 385 398 1 0.000000e+00 1.543890e-05 ; 1.0 1.0 mg - 385 399 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 385 402 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 385 403 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 385 404 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 386 392 1 0.000000e+00 1.141961e-06 ; 1.0 1.0 mg - 386 393 1 0.000000e+00 6.496425e-07 ; 1.0 1.0 1-4 - 386 394 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 386 395 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 386 397 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 386 398 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 386 402 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 387 393 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 387 394 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 387 395 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 387 397 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 388 393 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 388 394 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 388 395 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 388 397 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 389 393 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 389 394 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 389 395 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 390 393 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 390 394 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 390 395 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 391 393 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg + 385 397 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 385 398 1 0.000000e+00 1.543866e-05 ; 1.0 1.0 mg + 385 399 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 385 402 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 385 403 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 385 404 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 386 392 1 0.000000e+00 1.141943e-06 ; 1.0 1.0 mg + 386 393 1 0.000000e+00 6.496310e-07 ; 1.0 1.0 1-4 + 386 394 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 386 395 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 386 397 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 386 398 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 386 402 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 387 393 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 387 394 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 387 395 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 387 397 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 388 393 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 388 394 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 388 395 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 388 397 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 389 393 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 389 394 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 389 395 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 390 393 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 390 394 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 390 395 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 391 393 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg 393 398 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 393 399 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 393 400 1 0.000000e+00 6.694014e-07 ; 1.0 1.0 mg - 393 401 1 0.000000e+00 6.694014e-07 ; 1.0 1.0 mg - 393 402 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 393 403 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 393 404 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 393 406 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 393 407 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 393 411 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 394 398 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 394 399 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 393 399 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 393 400 1 0.000000e+00 6.693984e-07 ; 1.0 1.0 mg + 393 401 1 0.000000e+00 6.693984e-07 ; 1.0 1.0 mg + 393 402 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 393 403 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 393 404 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 393 406 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 393 407 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 393 411 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 394 398 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 394 399 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 394 400 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 394 401 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 394 402 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 394 402 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 394 403 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 394 404 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 394 405 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 394 406 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 395 399 1 0.000000e+00 3.016298e-07 ; 1.0 1.0 1-4 + 394 405 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 394 406 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 395 399 1 0.000000e+00 3.016255e-07 ; 1.0 1.0 1-4 395 400 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 395 401 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 395 404 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 395 406 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 395 407 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 395 408 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 395 411 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 395 404 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 395 406 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 395 407 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 395 408 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 395 411 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 395 412 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 395 413 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 396 400 1 0.000000e+00 1.256020e-08 ; 1.0 1.0 mg - 396 401 1 0.000000e+00 1.256020e-08 ; 1.0 1.0 mg - 396 403 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 395 413 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 396 400 1 0.000000e+00 1.256040e-08 ; 1.0 1.0 mg + 396 401 1 0.000000e+00 1.256040e-08 ; 1.0 1.0 mg + 396 403 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 396 405 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg - 397 400 1 0.000000e+00 3.362209e-07 ; 1.0 1.0 1-4 - 397 401 1 0.000000e+00 3.362209e-07 ; 1.0 1.0 1-4 - 397 407 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 397 408 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 397 409 1 0.000000e+00 3.362209e-06 ; 1.0 1.0 mg - 397 410 1 0.000000e+00 3.362209e-06 ; 1.0 1.0 mg - 397 411 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 397 412 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 397 413 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 397 415 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg + 397 400 1 0.000000e+00 3.362237e-07 ; 1.0 1.0 1-4 + 397 401 1 0.000000e+00 3.362237e-07 ; 1.0 1.0 1-4 + 397 407 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 397 408 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 397 409 1 0.000000e+00 3.362237e-06 ; 1.0 1.0 mg + 397 410 1 0.000000e+00 3.362237e-06 ; 1.0 1.0 mg + 397 411 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 397 412 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 397 413 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 397 415 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg 398 403 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 398 404 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 398 406 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 398 407 1 0.000000e+00 1.543890e-05 ; 1.0 1.0 mg - 398 408 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 398 411 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 398 412 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 398 413 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 399 402 1 0.000000e+00 6.496425e-07 ; 1.0 1.0 1-4 - 399 403 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 399 404 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 399 406 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 399 407 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 399 411 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 400 402 1 0.000000e+00 6.694014e-07 ; 1.0 1.0 mg + 398 406 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 398 407 1 0.000000e+00 1.543866e-05 ; 1.0 1.0 mg + 398 408 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 398 411 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 398 412 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 398 413 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 399 402 1 0.000000e+00 6.496310e-07 ; 1.0 1.0 1-4 + 399 403 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 399 404 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 399 406 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 399 407 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 399 411 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 400 402 1 0.000000e+00 6.693984e-07 ; 1.0 1.0 mg 400 403 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 400 404 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 400 405 1 0.000000e+00 1.256020e-08 ; 1.0 1.0 mg - 400 406 1 0.000000e+00 3.362209e-06 ; 1.0 1.0 mg - 401 402 1 0.000000e+00 6.694014e-07 ; 1.0 1.0 mg + 400 405 1 0.000000e+00 1.256040e-08 ; 1.0 1.0 mg + 400 406 1 0.000000e+00 3.362237e-06 ; 1.0 1.0 mg + 401 402 1 0.000000e+00 6.693984e-07 ; 1.0 1.0 mg 401 403 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 401 404 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 401 405 1 0.000000e+00 1.256020e-08 ; 1.0 1.0 mg - 401 406 1 0.000000e+00 3.362209e-06 ; 1.0 1.0 mg + 401 405 1 0.000000e+00 1.256040e-08 ; 1.0 1.0 mg + 401 406 1 0.000000e+00 3.362237e-06 ; 1.0 1.0 mg 402 407 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 402 408 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 402 409 1 0.000000e+00 6.694014e-07 ; 1.0 1.0 mg - 402 410 1 0.000000e+00 6.694014e-07 ; 1.0 1.0 mg - 402 411 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 402 412 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 402 413 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 402 415 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 402 416 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg - 402 417 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 403 407 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 403 408 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 402 408 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 402 409 1 0.000000e+00 6.693984e-07 ; 1.0 1.0 mg + 402 410 1 0.000000e+00 6.693984e-07 ; 1.0 1.0 mg + 402 411 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 402 412 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 402 413 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 402 415 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 402 416 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg + 402 417 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 403 407 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 403 408 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 403 409 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 403 410 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 403 411 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 403 411 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 403 412 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 403 413 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 403 414 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 403 415 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 404 408 1 0.000000e+00 3.016298e-07 ; 1.0 1.0 1-4 + 403 414 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 403 415 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 404 408 1 0.000000e+00 3.016255e-07 ; 1.0 1.0 1-4 404 409 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 404 410 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 404 413 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 404 415 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 404 416 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 404 417 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 404 413 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 404 415 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 404 416 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 404 417 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 404 418 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 404 419 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 405 409 1 0.000000e+00 1.256020e-08 ; 1.0 1.0 mg - 405 410 1 0.000000e+00 1.256020e-08 ; 1.0 1.0 mg - 405 412 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 404 419 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 405 409 1 0.000000e+00 1.256040e-08 ; 1.0 1.0 mg + 405 410 1 0.000000e+00 1.256040e-08 ; 1.0 1.0 mg + 405 412 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 405 414 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg - 406 409 1 0.000000e+00 3.362209e-07 ; 1.0 1.0 1-4 - 406 410 1 0.000000e+00 3.362209e-07 ; 1.0 1.0 1-4 - 406 416 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 406 417 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 406 418 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 406 419 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 406 421 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg + 406 409 1 0.000000e+00 3.362237e-07 ; 1.0 1.0 1-4 + 406 410 1 0.000000e+00 3.362237e-07 ; 1.0 1.0 1-4 + 406 416 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 406 417 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 406 418 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 406 419 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 406 421 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg 407 412 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 407 413 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 407 415 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 407 416 1 0.000000e+00 1.151981e-05 ; 1.0 1.0 mg - 407 417 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 407 418 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 407 419 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 408 411 1 0.000000e+00 6.496425e-07 ; 1.0 1.0 1-4 - 408 412 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 408 413 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 408 415 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 408 416 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg - 408 417 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 409 411 1 0.000000e+00 6.694014e-07 ; 1.0 1.0 mg + 407 415 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 407 416 1 0.000000e+00 1.151967e-05 ; 1.0 1.0 mg + 407 417 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 407 418 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 407 419 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 408 411 1 0.000000e+00 6.496310e-07 ; 1.0 1.0 1-4 + 408 412 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 408 413 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 408 415 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 408 416 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg + 408 417 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 409 411 1 0.000000e+00 6.693984e-07 ; 1.0 1.0 mg 409 412 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 409 413 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 409 414 1 0.000000e+00 1.256020e-08 ; 1.0 1.0 mg - 409 415 1 0.000000e+00 3.362209e-06 ; 1.0 1.0 mg - 410 411 1 0.000000e+00 6.694014e-07 ; 1.0 1.0 mg + 409 414 1 0.000000e+00 1.256040e-08 ; 1.0 1.0 mg + 409 415 1 0.000000e+00 3.362237e-06 ; 1.0 1.0 mg + 410 411 1 0.000000e+00 6.693984e-07 ; 1.0 1.0 mg 410 412 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 410 413 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 410 414 1 0.000000e+00 1.256020e-08 ; 1.0 1.0 mg - 410 415 1 0.000000e+00 3.362209e-06 ; 1.0 1.0 mg - 411 416 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 411 417 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 411 418 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 411 419 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 411 421 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 411 422 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 411 425 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg + 410 414 1 0.000000e+00 1.256040e-08 ; 1.0 1.0 mg + 410 415 1 0.000000e+00 3.362237e-06 ; 1.0 1.0 mg + 411 416 1 0.000000e+00 1.299665e-06 ; 1.0 1.0 1-4 + 411 417 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 411 418 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 411 419 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 411 421 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 411 422 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 411 425 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg 412 416 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 412 417 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 412 417 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 412 418 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 412 419 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 412 420 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 412 421 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 413 419 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 413 421 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 413 422 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 413 423 1 0.000000e+00 6.627671e-07 ; 1.0 1.0 mg - 413 424 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 413 425 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 412 420 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 412 421 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 413 419 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 413 421 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 413 422 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 413 423 1 0.000000e+00 6.627589e-07 ; 1.0 1.0 mg + 413 424 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 413 425 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 413 426 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 413 427 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 414 418 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 413 427 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 414 418 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 414 420 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg - 415 422 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 415 423 1 0.000000e+00 5.735738e-06 ; 1.0 1.0 mg - 415 424 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 415 425 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 415 426 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 415 427 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 415 429 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg + 415 422 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 415 423 1 0.000000e+00 5.735719e-06 ; 1.0 1.0 mg + 415 424 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 415 425 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 415 426 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 415 427 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 415 429 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg 416 418 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 416 419 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 416 421 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 416 422 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 416 423 1 0.000000e+00 2.076926e-06 ; 1.0 1.0 mg - 416 424 1 0.000000e+00 8.595562e-06 ; 1.0 1.0 mg - 416 425 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg + 416 421 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 416 422 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 416 423 1 0.000000e+00 2.076903e-06 ; 1.0 1.0 mg + 416 424 1 0.000000e+00 8.595490e-06 ; 1.0 1.0 mg + 416 425 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg 416 426 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 416 427 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg + 416 427 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg 417 422 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 417 423 1 0.000000e+00 1.141961e-06 ; 1.0 1.0 mg - 417 424 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg - 417 425 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 417 426 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 417 427 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 417 429 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 417 430 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 417 435 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 418 422 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 418 423 1 0.000000e+00 3.634061e-07 ; 1.0 1.0 mg + 417 423 1 0.000000e+00 1.141943e-06 ; 1.0 1.0 mg + 417 424 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg + 417 425 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 417 426 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 417 427 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 417 429 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 417 430 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 417 435 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 418 422 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 418 423 1 0.000000e+00 3.634051e-07 ; 1.0 1.0 mg 418 424 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 418 425 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 418 425 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 418 426 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 418 427 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 418 428 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 418 429 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 419 423 1 0.000000e+00 1.325534e-07 ; 1.0 1.0 1-4 - 419 424 1 0.000000e+00 5.485852e-07 ; 1.0 1.0 1-4 - 419 427 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 419 429 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 419 430 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 419 431 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 419 435 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 418 428 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 418 429 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 419 423 1 0.000000e+00 1.325518e-07 ; 1.0 1.0 1-4 + 419 424 1 0.000000e+00 5.485800e-07 ; 1.0 1.0 1-4 + 419 427 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 419 429 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 419 430 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 419 431 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 419 435 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 419 436 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 419 437 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 420 423 1 0.000000e+00 2.142698e-08 ; 1.0 1.0 mg - 420 426 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 419 437 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 420 423 1 0.000000e+00 2.142708e-08 ; 1.0 1.0 mg + 420 426 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 420 428 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg - 421 430 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 421 431 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 421 432 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 421 435 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 421 436 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 421 437 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 421 439 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg + 421 430 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 421 431 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 421 432 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 421 435 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 421 436 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 421 437 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 421 439 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg 422 426 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 422 427 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 422 429 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 422 430 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 422 431 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 422 435 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 422 436 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 422 437 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 423 425 1 0.000000e+00 2.854902e-07 ; 1.0 1.0 1-4 - 423 426 1 0.000000e+00 3.634061e-07 ; 1.0 1.0 mg - 423 427 1 0.000000e+00 6.627671e-07 ; 1.0 1.0 mg - 423 428 1 0.000000e+00 2.142698e-08 ; 1.0 1.0 mg - 423 429 1 0.000000e+00 5.735738e-06 ; 1.0 1.0 mg - 423 430 1 0.000000e+00 2.783506e-06 ; 1.0 1.0 mg - 423 435 1 0.000000e+00 1.141961e-06 ; 1.0 1.0 mg - 424 425 1 0.000000e+00 1.181529e-06 ; 1.0 1.0 1-4 + 422 429 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 422 430 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 422 431 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 422 435 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 422 436 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 422 437 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 423 425 1 0.000000e+00 2.854856e-07 ; 1.0 1.0 1-4 + 423 426 1 0.000000e+00 3.634051e-07 ; 1.0 1.0 mg + 423 427 1 0.000000e+00 6.627589e-07 ; 1.0 1.0 mg + 423 428 1 0.000000e+00 2.142708e-08 ; 1.0 1.0 mg + 423 429 1 0.000000e+00 5.735719e-06 ; 1.0 1.0 mg + 423 430 1 0.000000e+00 2.783464e-06 ; 1.0 1.0 mg + 423 435 1 0.000000e+00 1.141943e-06 ; 1.0 1.0 mg + 424 425 1 0.000000e+00 1.181513e-06 ; 1.0 1.0 1-4 424 426 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 424 427 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 424 429 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 424 430 1 0.000000e+00 1.151981e-05 ; 1.0 1.0 mg - 424 435 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg + 424 427 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 424 429 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 424 430 1 0.000000e+00 1.151967e-05 ; 1.0 1.0 mg + 424 435 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg 425 430 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 425 431 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 425 432 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 425 433 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 425 435 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 425 436 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 425 437 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 425 439 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 425 440 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 425 443 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 426 430 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 426 431 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 426 432 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 426 435 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 425 431 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 425 432 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 425 433 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 425 435 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 425 436 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 425 437 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 425 439 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 425 440 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 425 443 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 426 430 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 426 431 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 426 432 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 426 435 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 426 436 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 426 437 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 426 438 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 426 439 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg + 426 438 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 426 439 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg 427 431 1 0.000000e+00 5.500000e-07 ; 1.0 1.0 1-4 - 427 432 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 427 433 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 427 434 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 427 437 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 427 439 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 427 440 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 427 441 1 0.000000e+00 6.627671e-07 ; 1.0 1.0 mg - 427 442 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 427 443 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 427 432 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 427 433 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 427 434 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 427 437 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 427 439 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 427 440 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 427 441 1 0.000000e+00 6.627589e-07 ; 1.0 1.0 mg + 427 442 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 427 443 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 427 444 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 427 445 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 428 436 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 427 445 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 428 436 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 428 438 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg 429 432 1 0.000000e+00 5.000000e-07 ; 1.0 1.0 1-4 - 429 433 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 429 434 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 429 440 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 429 441 1 0.000000e+00 5.735738e-06 ; 1.0 1.0 mg - 429 442 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 429 443 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 429 444 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 429 445 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 429 447 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 430 434 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg + 429 433 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 429 434 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 429 440 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 429 441 1 0.000000e+00 5.735719e-06 ; 1.0 1.0 mg + 429 442 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 429 443 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 429 444 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 429 445 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 429 447 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 430 434 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg 430 436 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 430 437 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 430 439 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 430 440 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 430 441 1 0.000000e+00 2.783506e-06 ; 1.0 1.0 mg - 430 442 1 0.000000e+00 1.151981e-05 ; 1.0 1.0 mg - 430 443 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 430 444 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 430 445 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg + 430 439 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 430 440 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 430 441 1 0.000000e+00 2.783464e-06 ; 1.0 1.0 mg + 430 442 1 0.000000e+00 1.151967e-05 ; 1.0 1.0 mg + 430 443 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 430 444 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 430 445 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg 431 435 1 0.000000e+00 1.200000e-06 ; 1.0 1.0 1-4 - 431 436 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 431 437 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 431 439 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 431 440 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 431 443 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 432 435 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 432 436 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 432 437 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 432 439 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 433 435 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 433 436 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 433 437 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 434 435 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 431 436 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 431 437 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 431 439 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 431 440 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 431 443 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 432 435 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 432 436 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 432 437 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 432 439 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 433 435 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 433 436 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 433 437 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 434 435 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 435 440 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 435 441 1 0.000000e+00 1.141961e-06 ; 1.0 1.0 mg - 435 442 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg - 435 443 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 435 444 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 435 445 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 435 447 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 435 448 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 435 455 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 436 440 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 436 441 1 0.000000e+00 3.634061e-07 ; 1.0 1.0 mg + 435 441 1 0.000000e+00 1.141943e-06 ; 1.0 1.0 mg + 435 442 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg + 435 443 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 435 444 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 435 445 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 435 447 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 435 448 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 435 455 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 436 440 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 436 441 1 0.000000e+00 3.634051e-07 ; 1.0 1.0 mg 436 442 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 436 443 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 436 443 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 436 444 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 436 445 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 436 446 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 436 447 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 437 441 1 0.000000e+00 1.325534e-07 ; 1.0 1.0 1-4 - 437 442 1 0.000000e+00 5.485852e-07 ; 1.0 1.0 1-4 - 437 445 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 437 447 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 437 448 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 437 449 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 437 455 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 436 446 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 436 447 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 437 441 1 0.000000e+00 1.325518e-07 ; 1.0 1.0 1-4 + 437 442 1 0.000000e+00 5.485800e-07 ; 1.0 1.0 1-4 + 437 445 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 437 447 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 437 448 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 437 449 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 437 455 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 437 456 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 437 457 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 438 441 1 0.000000e+00 2.142698e-08 ; 1.0 1.0 mg - 438 444 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 437 457 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 438 441 1 0.000000e+00 2.142708e-08 ; 1.0 1.0 mg + 438 444 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 438 446 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg - 439 448 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 439 449 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 439 450 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 439 451 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 439 455 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 439 456 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 439 457 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 439 459 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg + 439 448 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 439 449 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 439 450 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 439 451 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 439 455 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 439 456 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 439 457 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 439 459 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg 440 444 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 440 445 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 440 447 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 440 448 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 440 449 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 440 455 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 440 456 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 440 457 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 441 443 1 0.000000e+00 2.854902e-07 ; 1.0 1.0 1-4 - 441 444 1 0.000000e+00 3.634061e-07 ; 1.0 1.0 mg - 441 445 1 0.000000e+00 6.627671e-07 ; 1.0 1.0 mg - 441 446 1 0.000000e+00 2.142698e-08 ; 1.0 1.0 mg - 441 447 1 0.000000e+00 5.735738e-06 ; 1.0 1.0 mg - 441 448 1 0.000000e+00 2.783506e-06 ; 1.0 1.0 mg - 441 455 1 0.000000e+00 1.141961e-06 ; 1.0 1.0 mg - 442 443 1 0.000000e+00 1.181529e-06 ; 1.0 1.0 1-4 + 440 447 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 440 448 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 440 449 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 440 455 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 440 456 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 440 457 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 441 443 1 0.000000e+00 2.854856e-07 ; 1.0 1.0 1-4 + 441 444 1 0.000000e+00 3.634051e-07 ; 1.0 1.0 mg + 441 445 1 0.000000e+00 6.627589e-07 ; 1.0 1.0 mg + 441 446 1 0.000000e+00 2.142708e-08 ; 1.0 1.0 mg + 441 447 1 0.000000e+00 5.735719e-06 ; 1.0 1.0 mg + 441 448 1 0.000000e+00 2.783464e-06 ; 1.0 1.0 mg + 441 455 1 0.000000e+00 1.141943e-06 ; 1.0 1.0 mg + 442 443 1 0.000000e+00 1.181513e-06 ; 1.0 1.0 1-4 442 444 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 442 445 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 442 447 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 442 448 1 0.000000e+00 1.151981e-05 ; 1.0 1.0 mg - 442 455 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg + 442 445 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 442 447 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 442 448 1 0.000000e+00 1.151967e-05 ; 1.0 1.0 mg + 442 455 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg 443 448 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 443 449 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 443 450 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 443 451 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 443 452 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 443 453 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 443 455 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 443 456 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 443 457 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 443 459 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 443 460 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 443 463 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 444 448 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 444 449 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 444 450 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 444 451 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 444 455 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 443 449 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 443 450 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 443 451 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 443 452 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 443 453 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 443 455 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 443 456 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 443 457 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 443 459 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 443 460 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 443 463 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 444 448 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 444 449 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 444 450 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 444 451 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 444 455 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 444 456 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 444 457 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 444 458 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 444 459 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 445 449 1 0.000000e+00 3.016298e-07 ; 1.0 1.0 1-4 - 445 450 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 445 451 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 445 452 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 445 453 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 445 454 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 445 457 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 445 459 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 445 460 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 445 461 1 0.000000e+00 6.627671e-07 ; 1.0 1.0 mg - 445 462 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 445 463 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 444 458 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 444 459 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 445 449 1 0.000000e+00 3.016255e-07 ; 1.0 1.0 1-4 + 445 450 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 445 451 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 445 452 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 445 453 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 445 454 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 445 457 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 445 459 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 445 460 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 445 461 1 0.000000e+00 6.627589e-07 ; 1.0 1.0 mg + 445 462 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 445 463 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 445 464 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 445 465 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 446 456 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 445 465 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 446 456 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 446 458 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg 447 450 1 0.000000e+00 5.000000e-07 ; 1.0 1.0 1-4 447 451 1 0.000000e+00 5.000000e-07 ; 1.0 1.0 1-4 - 447 452 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 447 453 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 447 454 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 447 460 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 447 461 1 0.000000e+00 5.735738e-06 ; 1.0 1.0 mg - 447 462 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 447 463 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 447 464 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 447 465 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 447 467 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 448 454 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg + 447 452 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 447 453 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 447 454 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 447 460 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 447 461 1 0.000000e+00 5.735719e-06 ; 1.0 1.0 mg + 447 462 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 447 463 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 447 464 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 447 465 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 447 467 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 448 454 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg 448 456 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 448 457 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 448 459 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 448 460 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 448 461 1 0.000000e+00 2.783506e-06 ; 1.0 1.0 mg - 448 462 1 0.000000e+00 1.151981e-05 ; 1.0 1.0 mg - 448 463 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 448 464 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 448 465 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 449 455 1 0.000000e+00 6.496425e-07 ; 1.0 1.0 1-4 - 449 456 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 449 457 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 449 459 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 449 460 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 449 463 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 450 455 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 450 456 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 450 457 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 450 459 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 451 455 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 451 456 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 451 457 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 451 459 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 452 455 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 452 456 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 452 457 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 453 455 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 453 456 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 453 457 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 454 455 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg + 448 459 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 448 460 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 448 461 1 0.000000e+00 2.783464e-06 ; 1.0 1.0 mg + 448 462 1 0.000000e+00 1.151967e-05 ; 1.0 1.0 mg + 448 463 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 448 464 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 448 465 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 449 455 1 0.000000e+00 6.496310e-07 ; 1.0 1.0 1-4 + 449 456 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 449 457 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 449 459 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 449 460 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 449 463 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 450 455 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 450 456 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 450 457 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 450 459 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 451 455 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 451 456 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 451 457 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 451 459 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 452 455 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 452 456 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 452 457 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 453 455 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 453 456 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 453 457 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 454 455 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg 455 460 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 455 461 1 0.000000e+00 1.141961e-06 ; 1.0 1.0 mg - 455 462 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg - 455 463 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 455 464 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 455 465 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 455 467 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 455 468 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 455 471 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 456 460 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 456 461 1 0.000000e+00 3.634061e-07 ; 1.0 1.0 mg + 455 461 1 0.000000e+00 1.141943e-06 ; 1.0 1.0 mg + 455 462 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg + 455 463 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 455 464 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 455 465 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 455 467 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 455 468 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 455 471 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 456 460 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 456 461 1 0.000000e+00 3.634051e-07 ; 1.0 1.0 mg 456 462 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 456 463 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 456 463 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 456 464 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 456 465 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 456 466 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 456 467 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 457 461 1 0.000000e+00 1.325534e-07 ; 1.0 1.0 1-4 - 457 462 1 0.000000e+00 5.485852e-07 ; 1.0 1.0 1-4 - 457 465 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 457 467 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 457 468 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 457 469 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 457 470 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 457 471 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 456 466 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 456 467 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 457 461 1 0.000000e+00 1.325518e-07 ; 1.0 1.0 1-4 + 457 462 1 0.000000e+00 5.485800e-07 ; 1.0 1.0 1-4 + 457 465 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 457 467 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 457 468 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 457 469 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 457 470 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 457 471 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 457 472 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 457 473 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 458 461 1 0.000000e+00 2.142698e-08 ; 1.0 1.0 mg - 458 464 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 457 473 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 458 461 1 0.000000e+00 2.142708e-08 ; 1.0 1.0 mg + 458 464 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 458 466 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg - 459 468 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 459 469 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 459 470 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 459 471 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 459 472 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 459 473 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 459 475 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg + 459 468 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 459 469 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 459 470 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 459 471 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 459 472 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 459 473 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 459 475 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg 460 464 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 460 465 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 460 467 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 460 468 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 460 469 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 460 470 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 460 471 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 460 472 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 460 473 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 461 463 1 0.000000e+00 2.854902e-07 ; 1.0 1.0 1-4 - 461 464 1 0.000000e+00 3.634061e-07 ; 1.0 1.0 mg - 461 465 1 0.000000e+00 6.627671e-07 ; 1.0 1.0 mg - 461 466 1 0.000000e+00 2.142698e-08 ; 1.0 1.0 mg - 461 467 1 0.000000e+00 5.735738e-06 ; 1.0 1.0 mg - 461 468 1 0.000000e+00 5.735738e-06 ; 1.0 1.0 mg - 461 471 1 0.000000e+00 1.141961e-06 ; 1.0 1.0 mg - 462 463 1 0.000000e+00 1.181529e-06 ; 1.0 1.0 1-4 + 460 467 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 460 468 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 460 469 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 460 470 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 460 471 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 460 472 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 460 473 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 461 463 1 0.000000e+00 2.854856e-07 ; 1.0 1.0 1-4 + 461 464 1 0.000000e+00 3.634051e-07 ; 1.0 1.0 mg + 461 465 1 0.000000e+00 6.627589e-07 ; 1.0 1.0 mg + 461 466 1 0.000000e+00 2.142708e-08 ; 1.0 1.0 mg + 461 467 1 0.000000e+00 5.735719e-06 ; 1.0 1.0 mg + 461 468 1 0.000000e+00 5.735719e-06 ; 1.0 1.0 mg + 461 471 1 0.000000e+00 1.141943e-06 ; 1.0 1.0 mg + 462 463 1 0.000000e+00 1.181513e-06 ; 1.0 1.0 1-4 462 464 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 462 465 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 462 467 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 462 468 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 462 471 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg + 462 465 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 462 467 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 462 468 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 462 471 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg 463 468 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 463 469 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg - 463 470 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg - 463 471 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 463 472 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 463 473 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 463 475 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 463 476 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 463 479 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 464 468 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg + 463 469 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg + 463 470 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg + 463 471 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 463 472 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 463 473 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 463 475 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 463 476 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 463 479 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 464 468 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg 464 469 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg 464 470 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 464 471 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 464 471 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 464 472 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 464 473 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 464 474 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 464 475 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 465 469 1 0.000000e+00 5.485852e-07 ; 1.0 1.0 1-4 - 465 470 1 0.000000e+00 5.485852e-07 ; 1.0 1.0 1-4 - 465 473 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 465 475 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 465 476 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 465 477 1 0.000000e+00 6.627671e-07 ; 1.0 1.0 mg - 465 478 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 465 479 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 464 474 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 464 475 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 465 469 1 0.000000e+00 5.485800e-07 ; 1.0 1.0 1-4 + 465 470 1 0.000000e+00 5.485800e-07 ; 1.0 1.0 1-4 + 465 473 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 465 475 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 465 476 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 465 477 1 0.000000e+00 6.627589e-07 ; 1.0 1.0 mg + 465 478 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 465 479 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 465 480 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 465 481 1 0.000000e+00 8.752940e-07 ; 1.0 1.0 mg - 466 472 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 465 481 1 0.000000e+00 8.752848e-07 ; 1.0 1.0 mg + 466 472 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 466 474 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg - 467 476 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 467 477 1 0.000000e+00 5.735738e-06 ; 1.0 1.0 mg - 467 478 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 467 479 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 467 480 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 467 481 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 467 483 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg + 467 476 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 467 477 1 0.000000e+00 5.735719e-06 ; 1.0 1.0 mg + 467 478 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 467 479 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 467 480 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 467 481 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 467 483 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg 468 472 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 468 473 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 468 475 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 468 476 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 468 477 1 0.000000e+00 5.735738e-06 ; 1.0 1.0 mg - 468 478 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 468 479 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 468 480 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 468 481 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 469 471 1 0.000000e+00 1.181529e-06 ; 1.0 1.0 1-4 + 468 475 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 468 476 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 468 477 1 0.000000e+00 5.735719e-06 ; 1.0 1.0 mg + 468 478 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 468 479 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 468 480 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 468 481 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 469 471 1 0.000000e+00 1.181513e-06 ; 1.0 1.0 1-4 469 472 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 469 473 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 469 475 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 469 476 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 469 479 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg - 470 471 1 0.000000e+00 1.181529e-06 ; 1.0 1.0 1-4 + 469 473 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 469 475 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 469 476 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 469 479 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg + 470 471 1 0.000000e+00 1.181513e-06 ; 1.0 1.0 1-4 470 472 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 470 473 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 470 475 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 470 476 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 470 479 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg + 470 473 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 470 475 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 470 476 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 470 479 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg 471 476 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 471 477 1 0.000000e+00 1.141961e-06 ; 1.0 1.0 mg - 471 478 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg - 471 479 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 471 480 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 471 481 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg - 471 483 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 471 484 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 471 489 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 472 476 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 472 477 1 0.000000e+00 3.634061e-07 ; 1.0 1.0 mg + 471 477 1 0.000000e+00 1.141943e-06 ; 1.0 1.0 mg + 471 478 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg + 471 479 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 471 480 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 471 481 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg + 471 483 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 471 484 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 471 489 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 472 476 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 472 477 1 0.000000e+00 3.634051e-07 ; 1.0 1.0 mg 472 478 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 472 479 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 472 479 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 472 480 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 472 481 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 472 482 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg - 472 483 1 0.000000e+00 4.153495e-06 ; 1.0 1.0 mg - 473 477 1 0.000000e+00 1.325534e-07 ; 1.0 1.0 1-4 - 473 478 1 0.000000e+00 5.485852e-07 ; 1.0 1.0 1-4 - 473 481 1 0.000000e+00 3.002258e-07 ; 1.0 1.0 1-4 - 473 483 1 0.000000e+00 7.574995e-06 ; 1.0 1.0 mg - 473 484 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 473 485 1 0.000000e+00 3.676082e-06 ; 1.0 1.0 mg - 473 489 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 472 482 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg + 472 483 1 0.000000e+00 4.153528e-06 ; 1.0 1.0 mg + 473 477 1 0.000000e+00 1.325518e-07 ; 1.0 1.0 1-4 + 473 478 1 0.000000e+00 5.485800e-07 ; 1.0 1.0 1-4 + 473 481 1 0.000000e+00 3.002227e-07 ; 1.0 1.0 1-4 + 473 483 1 0.000000e+00 7.574983e-06 ; 1.0 1.0 mg + 473 484 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 473 485 1 0.000000e+00 3.676033e-06 ; 1.0 1.0 mg + 473 489 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 473 490 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 473 491 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 474 477 1 0.000000e+00 2.142698e-08 ; 1.0 1.0 mg - 474 480 1 0.000000e+00 1.551620e-08 ; 1.0 1.0 mg + 474 477 1 0.000000e+00 2.142708e-08 ; 1.0 1.0 mg + 474 480 1 0.000000e+00 1.551645e-08 ; 1.0 1.0 mg 474 482 1 0.000000e+00 1.200000e-08 ; 1.0 1.0 mg - 475 484 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 475 485 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 475 486 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 475 489 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 475 490 1 0.000000e+00 3.362209e-06 ; 1.0 1.0 mg - 475 491 1 0.000000e+00 3.362209e-06 ; 1.0 1.0 mg + 475 484 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 475 485 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 475 486 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 475 489 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 475 490 1 0.000000e+00 3.362237e-06 ; 1.0 1.0 mg + 475 491 1 0.000000e+00 3.362237e-06 ; 1.0 1.0 mg 476 480 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 476 481 1 0.000000e+00 2.700000e-06 ; 1.0 1.0 1-4 - 476 483 1 0.000000e+00 6.555574e-05 ; 1.0 1.0 mg - 476 484 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 476 485 1 0.000000e+00 3.181365e-05 ; 1.0 1.0 mg - 476 489 1 0.000000e+00 1.305186e-05 ; 1.0 1.0 mg - 476 490 1 0.000000e+00 3.362209e-06 ; 1.0 1.0 mg - 476 491 1 0.000000e+00 3.362209e-06 ; 1.0 1.0 mg - 477 479 1 0.000000e+00 2.854902e-07 ; 1.0 1.0 1-4 - 477 480 1 0.000000e+00 3.634061e-07 ; 1.0 1.0 mg - 477 481 1 0.000000e+00 6.627671e-07 ; 1.0 1.0 mg - 477 482 1 0.000000e+00 2.142698e-08 ; 1.0 1.0 mg - 477 483 1 0.000000e+00 5.735738e-06 ; 1.0 1.0 mg - 477 484 1 0.000000e+00 2.783506e-06 ; 1.0 1.0 mg - 477 489 1 0.000000e+00 1.141961e-06 ; 1.0 1.0 mg - 478 479 1 0.000000e+00 1.181529e-06 ; 1.0 1.0 1-4 + 476 483 1 0.000000e+00 6.555622e-05 ; 1.0 1.0 mg + 476 484 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 476 485 1 0.000000e+00 3.181352e-05 ; 1.0 1.0 mg + 476 489 1 0.000000e+00 1.305180e-05 ; 1.0 1.0 mg + 476 490 1 0.000000e+00 3.362237e-06 ; 1.0 1.0 mg + 476 491 1 0.000000e+00 3.362237e-06 ; 1.0 1.0 mg + 477 479 1 0.000000e+00 2.854856e-07 ; 1.0 1.0 1-4 + 477 480 1 0.000000e+00 3.634051e-07 ; 1.0 1.0 mg + 477 481 1 0.000000e+00 6.627589e-07 ; 1.0 1.0 mg + 477 482 1 0.000000e+00 2.142708e-08 ; 1.0 1.0 mg + 477 483 1 0.000000e+00 5.735719e-06 ; 1.0 1.0 mg + 477 484 1 0.000000e+00 2.783464e-06 ; 1.0 1.0 mg + 477 489 1 0.000000e+00 1.141943e-06 ; 1.0 1.0 mg + 478 479 1 0.000000e+00 1.181513e-06 ; 1.0 1.0 1-4 478 480 1 0.000000e+00 1.503992e-06 ; 1.0 1.0 mg - 478 481 1 0.000000e+00 2.742926e-06 ; 1.0 1.0 mg - 478 483 1 0.000000e+00 2.373791e-05 ; 1.0 1.0 mg - 478 484 1 0.000000e+00 1.151981e-05 ; 1.0 1.0 mg - 478 489 1 0.000000e+00 4.726116e-06 ; 1.0 1.0 mg + 478 481 1 0.000000e+00 2.742900e-06 ; 1.0 1.0 mg + 478 483 1 0.000000e+00 2.373790e-05 ; 1.0 1.0 mg + 478 484 1 0.000000e+00 1.151967e-05 ; 1.0 1.0 mg + 478 489 1 0.000000e+00 4.726054e-06 ; 1.0 1.0 mg 479 484 1 0.000000e+00 1.299682e-06 ; 1.0 1.0 1-4 - 479 485 1 0.000000e+00 6.333961e-06 ; 1.0 1.0 mg - 479 486 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 479 487 1 0.000000e+00 6.694014e-07 ; 1.0 1.0 mg - 479 488 1 0.000000e+00 6.694014e-07 ; 1.0 1.0 mg - 479 489 1 0.000000e+00 1.299285e-06 ; 1.0 1.0 1-4 - 479 490 1 0.000000e+00 6.694014e-07 ; 1.0 1.0 mg - 479 491 1 0.000000e+00 6.694014e-07 ; 1.0 1.0 mg - 480 484 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 480 485 1 0.000000e+00 2.015656e-06 ; 1.0 1.0 mg - 480 486 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg - 480 489 1 0.000000e+00 8.269429e-07 ; 1.0 1.0 mg + 479 485 1 0.000000e+00 6.333855e-06 ; 1.0 1.0 mg + 479 486 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 479 487 1 0.000000e+00 6.693984e-07 ; 1.0 1.0 mg + 479 488 1 0.000000e+00 6.693984e-07 ; 1.0 1.0 mg + 479 489 1 0.000000e+00 1.299262e-06 ; 1.0 1.0 1-4 + 479 490 1 0.000000e+00 6.693984e-07 ; 1.0 1.0 mg + 479 491 1 0.000000e+00 6.693984e-07 ; 1.0 1.0 mg + 480 484 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 480 485 1 0.000000e+00 2.015649e-06 ; 1.0 1.0 mg + 480 486 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg + 480 489 1 0.000000e+00 8.269390e-07 ; 1.0 1.0 mg 480 490 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 480 491 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 481 485 1 0.000000e+00 5.500000e-07 ; 1.0 1.0 1-4 - 481 486 1 0.000000e+00 1.508149e-06 ; 1.0 1.0 mg + 481 486 1 0.000000e+00 1.508128e-06 ; 1.0 1.0 mg 481 487 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 481 488 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 482 487 1 0.000000e+00 1.256020e-08 ; 1.0 1.0 mg - 482 488 1 0.000000e+00 1.256020e-08 ; 1.0 1.0 mg - 482 490 1 0.000000e+00 1.256020e-08 ; 1.0 1.0 mg - 482 491 1 0.000000e+00 1.256020e-08 ; 1.0 1.0 mg + 482 487 1 0.000000e+00 1.256040e-08 ; 1.0 1.0 mg + 482 488 1 0.000000e+00 1.256040e-08 ; 1.0 1.0 mg + 482 490 1 0.000000e+00 1.256040e-08 ; 1.0 1.0 mg + 482 491 1 0.000000e+00 1.256040e-08 ; 1.0 1.0 mg 483 486 1 0.000000e+00 5.000000e-07 ; 1.0 1.0 1-4 - 483 487 1 0.000000e+00 3.362209e-06 ; 1.0 1.0 mg - 483 488 1 0.000000e+00 3.362209e-06 ; 1.0 1.0 mg + 483 487 1 0.000000e+00 3.362237e-06 ; 1.0 1.0 mg + 483 488 1 0.000000e+00 3.362237e-06 ; 1.0 1.0 mg 484 490 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 484 491 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 1-4 485 489 1 0.000000e+00 1.200000e-06 ; 1.0 1.0 1-4 - 485 490 1 0.000000e+00 1.631652e-06 ; 1.0 1.0 mg - 485 491 1 0.000000e+00 1.631652e-06 ; 1.0 1.0 mg - 486 489 1 0.000000e+00 2.598570e-06 ; 1.0 1.0 mg - 486 490 1 0.000000e+00 6.694014e-07 ; 1.0 1.0 mg - 486 491 1 0.000000e+00 6.694014e-07 ; 1.0 1.0 mg - 487 489 1 0.000000e+00 6.694014e-07 ; 1.0 1.0 mg + 485 490 1 0.000000e+00 1.631646e-06 ; 1.0 1.0 mg + 485 491 1 0.000000e+00 1.631646e-06 ; 1.0 1.0 mg + 486 489 1 0.000000e+00 2.598524e-06 ; 1.0 1.0 mg + 486 490 1 0.000000e+00 6.693984e-07 ; 1.0 1.0 mg + 486 491 1 0.000000e+00 6.693984e-07 ; 1.0 1.0 mg + 487 489 1 0.000000e+00 6.693984e-07 ; 1.0 1.0 mg 487 490 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 487 491 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg - 488 489 1 0.000000e+00 6.694014e-07 ; 1.0 1.0 mg + 488 489 1 0.000000e+00 6.693984e-07 ; 1.0 1.0 mg 488 490 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg 488 491 1 0.000000e+00 1.500000e-06 ; 1.0 1.0 mg diff --git a/test/test_outputs/gpref/case_2/ffnonbonded.itp b/test/test_outputs/gpref/case_2/ffnonbonded.itp index 81352aa6..121adda3 100644 --- a/test/test_outputs/gpref/case_2/ffnonbonded.itp +++ b/test/test_outputs/gpref/case_2/ffnonbonded.itp @@ -501,80 +501,80 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 [ nonbond_params ] ; ai aj type c6 c12 ; sigma epsilon probability rc_probability md_threshold rc_threshold same_chain source bond_distance number_ai number_aj N_GB1_1 N_GB1_1 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 1 - N_GB1_1 CB_GB1_1 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 3 - N_GB1_1 CG_GB1_1 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 4 - N_GB1_1 SD_GB1_1 1 0.000000e+00 1.686606e-06 ; 2.942701e-01 -1.686606e-06 5.982528e-01 6.905206e-01 0.004395 0.001132 True md_ensemble 4 1 5 - N_GB1_1 CE_GB1_1 1 0.000000e+00 2.135667e-06 ; 3.001162e-01 -2.135667e-06 5.160320e-01 2.946411e-01 0.004395 0.001132 True md_ensemble 5 1 6 - N_GB1_1 CA_GB1_2 1 0.000000e+00 7.574830e-06 ; 3.335104e-01 -7.574830e-06 1.000000e+00 9.999782e-01 0.004395 0.001132 True md_ensemble 4 1 11 - N_GB1_1 CB_GB1_2 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 12 + N_GB1_1 CB_GB1_1 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 3 + N_GB1_1 CG_GB1_1 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 4 + N_GB1_1 SD_GB1_1 1 0.000000e+00 1.686608e-06 ; 2.942701e-01 -1.686608e-06 5.982528e-01 6.905206e-01 0.004395 0.001132 True md_ensemble 4 1 5 + N_GB1_1 CE_GB1_1 1 0.000000e+00 2.135647e-06 ; 3.001160e-01 -2.135647e-06 5.160320e-01 2.946411e-01 0.004395 0.001132 True md_ensemble 5 1 6 + N_GB1_1 CA_GB1_2 1 0.000000e+00 7.574818e-06 ; 3.335104e-01 -7.574818e-06 1.000000e+00 9.999782e-01 0.004395 0.001132 True md_ensemble 4 1 11 + N_GB1_1 CB_GB1_2 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 12 N_GB1_1 OG1_GB1_2 1 0.000000e+00 6.627671e-07 ; 2.722336e-01 -6.627671e-07 0.000000e+00 1.141866e-02 0.004395 0.001132 True md_ensemble 6 1 13 - N_GB1_1 CG2_GB1_2 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 14 + N_GB1_1 CG2_GB1_2 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 14 N_GB1_1 C_GB1_2 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 0.000000e+00 4.410620e-03 0.004395 0.001132 True md_ensemble 5 1 15 N_GB1_1 O_GB1_2 1 0.000000e+00 4.799381e-07 ; 2.650089e-01 -4.799381e-07 0.000000e+00 1.654705e-03 0.004395 0.001132 True md_ensemble 6 1 16 N_GB1_1 N_GB1_3 1 0.000000e+00 8.752940e-07 ; 2.786171e-01 -8.752940e-07 0.000000e+00 7.787588e-03 0.004395 0.001132 True md_ensemble 6 1 17 - N_GB1_1 CB_GB1_3 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 20 + N_GB1_1 CB_GB1_3 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 20 N_GB1_1 CE1_GB1_3 1 1.670385e-03 3.701591e-06 ; 3.610732e-01 1.884451e-01 5.676967e-02 1.982288e-02 0.004395 0.015244 True md_ensemble 7 1 24 N_GB1_1 CE2_GB1_3 1 1.670385e-03 3.701591e-06 ; 3.610732e-01 1.884451e-01 5.676967e-02 1.982288e-02 0.004395 0.015244 True md_ensemble 7 1 25 - N_GB1_1 CZ_GB1_3 1 0.000000e+00 1.531287e-06 ; 2.919105e-01 -1.531287e-06 4.642215e-03 1.998458e-02 0.004395 0.015244 True md_ensemble 7 1 26 + N_GB1_1 CZ_GB1_3 1 0.000000e+00 1.531266e-06 ; 2.919102e-01 -1.531266e-06 4.642215e-03 1.998458e-02 0.004395 0.015244 True md_ensemble 7 1 26 N_GB1_1 N_GB1_4 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.152103e-03 0.004395 0.001132 True md_ensemble 7 1 30 - N_GB1_1 CB_GB1_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 33 - N_GB1_1 CG_GB1_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 34 - N_GB1_1 CD_GB1_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 35 - N_GB1_1 CE_GB1_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 36 + N_GB1_1 CB_GB1_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 33 + N_GB1_1 CG_GB1_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 34 + N_GB1_1 CD_GB1_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 35 + N_GB1_1 CE_GB1_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 36 N_GB1_1 NZ_GB1_4 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 37 N_GB1_1 N_GB1_5 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 5.853420e-04 0.004395 0.001132 True md_ensemble 7 1 40 - N_GB1_1 CB_GB1_5 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 43 - N_GB1_1 CG_GB1_5 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 44 - N_GB1_1 CD1_GB1_5 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 45 - N_GB1_1 CD2_GB1_5 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 46 + N_GB1_1 CB_GB1_5 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 43 + N_GB1_1 CG_GB1_5 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 44 + N_GB1_1 CD1_GB1_5 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 45 + N_GB1_1 CD2_GB1_5 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 46 N_GB1_1 N_GB1_6 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 2.425667e-04 0.004395 0.001132 True md_ensemble 7 1 49 - N_GB1_1 CB_GB1_6 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 52 - N_GB1_1 CG1_GB1_6 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 53 - N_GB1_1 CG2_GB1_6 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 54 - N_GB1_1 CD_GB1_6 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 55 + N_GB1_1 CB_GB1_6 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 52 + N_GB1_1 CG1_GB1_6 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 53 + N_GB1_1 CG2_GB1_6 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 54 + N_GB1_1 CD_GB1_6 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 55 N_GB1_1 N_GB1_7 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.263764e-04 0.004395 0.001132 True md_ensemble 7 1 58 - N_GB1_1 CB_GB1_7 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 61 - N_GB1_1 CG_GB1_7 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 62 - N_GB1_1 CD1_GB1_7 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 63 - N_GB1_1 CD2_GB1_7 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 64 + N_GB1_1 CB_GB1_7 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 61 + N_GB1_1 CG_GB1_7 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 62 + N_GB1_1 CD1_GB1_7 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 63 + N_GB1_1 CD2_GB1_7 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 64 N_GB1_1 N_GB1_8 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 2.503048e-04 0.004395 0.001132 True md_ensemble 7 1 67 - N_GB1_1 CB_GB1_8 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 70 + N_GB1_1 CB_GB1_8 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 70 N_GB1_1 N_GB1_9 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.011147e-04 0.004395 0.001132 True md_ensemble 7 1 76 - N_GB1_1 CA_GB1_9 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 78 + N_GB1_1 CA_GB1_9 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 78 N_GB1_1 N_GB1_10 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 1 81 - N_GB1_1 CB_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 84 - N_GB1_1 CG_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 85 - N_GB1_1 CD_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 86 - N_GB1_1 CE_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 87 + N_GB1_1 CB_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 84 + N_GB1_1 CG_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 85 + N_GB1_1 CD_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 86 + N_GB1_1 CE_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 87 N_GB1_1 NZ_GB1_10 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 88 N_GB1_1 N_GB1_11 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 1 91 - N_GB1_1 CB_GB1_11 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 94 - N_GB1_1 CG2_GB1_11 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 96 + N_GB1_1 CB_GB1_11 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 94 + N_GB1_1 CG2_GB1_11 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 96 N_GB1_1 N_GB1_12 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 1 99 - N_GB1_1 CB_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 102 - N_GB1_1 CG_GB1_12 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 103 - N_GB1_1 CD1_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 104 - N_GB1_1 CD2_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 105 + N_GB1_1 CB_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 102 + N_GB1_1 CG_GB1_12 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 103 + N_GB1_1 CD1_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 104 + N_GB1_1 CD2_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 105 N_GB1_1 N_GB1_13 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.465072e-05 0.004395 0.001132 True md_ensemble 7 1 108 - N_GB1_1 CB_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 111 - N_GB1_1 CG_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 112 - N_GB1_1 CD_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 113 - N_GB1_1 CE_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 114 + N_GB1_1 CB_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 111 + N_GB1_1 CG_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 112 + N_GB1_1 CD_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 113 + N_GB1_1 CE_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 114 N_GB1_1 NZ_GB1_13 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 115 N_GB1_1 N_GB1_14 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 2.221655e-04 0.004395 0.001132 True md_ensemble 7 1 118 - N_GB1_1 CA_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 120 + N_GB1_1 CA_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 120 N_GB1_1 N_GB1_15 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.403524e-05 0.004395 0.001132 True md_ensemble 7 1 123 - N_GB1_1 CB_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 126 - N_GB1_1 CG_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 127 + N_GB1_1 CB_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 126 + N_GB1_1 CG_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 127 N_GB1_1 N_GB1_16 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 1 133 - N_GB1_1 CB_GB1_16 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 136 - N_GB1_1 CG2_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 138 + N_GB1_1 CB_GB1_16 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 136 + N_GB1_1 CG2_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 138 N_GB1_1 N_GB1_17 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.958666e-04 0.004395 0.001132 True md_ensemble 7 1 141 - N_GB1_1 CB_GB1_17 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 144 - N_GB1_1 CG2_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 146 + N_GB1_1 CB_GB1_17 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 144 + N_GB1_1 CG2_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 146 N_GB1_1 N_GB1_18 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 1 149 - N_GB1_1 CB_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 152 - N_GB1_1 CG2_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 154 + N_GB1_1 CB_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 152 + N_GB1_1 CG2_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 154 N_GB1_1 N_GB1_19 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 1 157 N_GB1_1 CA_GB1_19 1 1.184912e-02 1.048009e-04 ; 4.547575e-01 3.349246e-01 7.466136e-01 2.571596e-04 0.004395 0.008482 True md_ensemble 7 1 159 N_GB1_1 CB_GB1_19 1 4.775296e-03 3.113032e-05 ; 4.322124e-01 1.831290e-01 3.938073e-02 4.060667e-04 0.004395 0.001132 True md_ensemble 7 1 160 @@ -585,7 +585,7 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 N_GB1_1 C_GB1_19 1 3.067650e-03 1.217975e-05 ; 3.979288e-01 1.931584e-01 4.783116e-02 2.502753e-04 0.004395 0.011584 True md_ensemble 7 1 165 N_GB1_1 N_GB1_20 1 3.217476e-03 7.538371e-06 ; 3.644408e-01 3.433153e-01 8.784732e-01 1.687909e-06 0.004395 0.001132 True md_ensemble 7 1 167 N_GB1_1 CA_GB1_20 1 6.713976e-03 3.224277e-05 ; 4.107480e-01 3.495162e-01 9.906662e-01 8.689923e-04 0.004395 0.008482 True md_ensemble 7 1 169 - N_GB1_1 CB_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 170 + N_GB1_1 CB_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 170 N_GB1_1 C_GB1_20 1 1.876032e-03 2.517004e-06 ; 3.321039e-01 3.495719e-01 9.917371e-01 0.000000e+00 0.004395 0.011584 True md_ensemble 7 1 171 N_GB1_1 O_GB1_20 1 2.443382e-04 4.267952e-08 ; 2.364312e-01 3.497060e-01 9.943178e-01 2.788571e-05 0.004395 0.011584 True md_ensemble 7 1 172 N_GB1_1 N_GB1_21 1 3.684454e-03 1.195888e-05 ; 3.847863e-01 2.837891e-01 2.771009e-01 0.000000e+00 0.004395 0.001132 True md_ensemble 7 1 173 @@ -596,111 +596,111 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 N_GB1_1 C_GB1_21 1 1.667899e-03 5.999272e-06 ; 3.914306e-01 1.159261e-01 1.070463e-02 1.436806e-04 0.004395 0.011584 True md_ensemble 7 1 179 N_GB1_1 O_GB1_21 1 2.491672e-04 2.098491e-07 ; 3.073048e-01 7.396300e-02 4.745997e-03 3.852174e-04 0.004395 0.011584 True md_ensemble 7 1 180 N_GB1_1 N_GB1_22 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.227750e-04 0.000000e+00 0.004395 0.001132 True md_ensemble 7 1 181 - N_GB1_1 CB_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 184 + N_GB1_1 CB_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 184 N_GB1_1 N_GB1_23 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.685041e-04 0.004395 0.001132 True md_ensemble 7 1 190 - N_GB1_1 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 193 + N_GB1_1 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 193 N_GB1_1 N_GB1_24 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 9.997704e-05 0.004395 0.001132 True md_ensemble 7 1 196 - N_GB1_1 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 199 + N_GB1_1 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 199 N_GB1_1 N_GB1_25 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.729539e-04 0.004395 0.001132 True md_ensemble 7 1 202 - N_GB1_1 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 205 - N_GB1_1 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 207 + N_GB1_1 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 205 + N_GB1_1 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 207 N_GB1_1 N_GB1_26 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 1 210 - N_GB1_1 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 213 + N_GB1_1 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 213 N_GB1_1 N_GB1_27 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.581838e-04 0.004395 0.001132 True md_ensemble 7 1 216 - N_GB1_1 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 219 - N_GB1_1 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 220 + N_GB1_1 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 219 + N_GB1_1 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 220 N_GB1_1 N_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.463245e-05 0.004395 0.001132 True md_ensemble 7 1 226 - N_GB1_1 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 229 - N_GB1_1 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 230 - N_GB1_1 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 231 - N_GB1_1 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 232 + N_GB1_1 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 229 + N_GB1_1 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 230 + N_GB1_1 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 231 + N_GB1_1 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 232 N_GB1_1 NZ_GB1_28 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 233 N_GB1_1 N_GB1_29 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 1 236 - N_GB1_1 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 239 - N_GB1_1 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 240 - N_GB1_1 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 241 + N_GB1_1 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 239 + N_GB1_1 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 240 + N_GB1_1 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 241 N_GB1_1 N_GB1_30 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 1 244 - N_GB1_1 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 247 + N_GB1_1 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 247 N_GB1_1 N_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 1 256 - N_GB1_1 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 259 - N_GB1_1 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 260 - N_GB1_1 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 261 - N_GB1_1 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 262 + N_GB1_1 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 259 + N_GB1_1 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 260 + N_GB1_1 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 261 + N_GB1_1 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 262 N_GB1_1 NZ_GB1_31 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 263 N_GB1_1 N_GB1_32 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 1 266 - N_GB1_1 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 269 - N_GB1_1 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 270 + N_GB1_1 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 269 + N_GB1_1 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 270 N_GB1_1 N_GB1_33 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 1 276 - N_GB1_1 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 279 + N_GB1_1 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 279 N_GB1_1 N_GB1_34 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 1 289 - N_GB1_1 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 292 + N_GB1_1 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 292 N_GB1_1 N_GB1_35 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 1 295 - N_GB1_1 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 298 + N_GB1_1 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 298 N_GB1_1 N_GB1_36 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 1 304 - N_GB1_1 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 307 + N_GB1_1 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 307 N_GB1_1 N_GB1_37 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 1 313 - N_GB1_1 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 316 + N_GB1_1 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 316 N_GB1_1 N_GB1_38 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.997742e-04 0.004395 0.001132 True md_ensemble 7 1 322 - N_GB1_1 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 324 + N_GB1_1 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 324 N_GB1_1 N_GB1_39 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 3.332044e-06 0.004395 0.001132 True md_ensemble 7 1 327 - N_GB1_1 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 330 - N_GB1_1 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 331 - N_GB1_1 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 332 + N_GB1_1 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 330 + N_GB1_1 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 331 + N_GB1_1 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 332 N_GB1_1 N_GB1_40 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.999366e-04 0.004395 0.001132 True md_ensemble 7 1 335 - N_GB1_1 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 338 + N_GB1_1 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 338 N_GB1_1 N_GB1_41 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.000556e-04 0.004395 0.001132 True md_ensemble 7 1 344 - N_GB1_1 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 346 + N_GB1_1 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 346 N_GB1_1 N_GB1_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 1 349 - N_GB1_1 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 352 - N_GB1_1 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 353 + N_GB1_1 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 352 + N_GB1_1 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 353 N_GB1_1 N_GB1_43 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 1 359 - N_GB1_1 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 362 + N_GB1_1 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 362 N_GB1_1 N_GB1_44 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 8.832204e-05 0.004395 0.001132 True md_ensemble 7 1 374 - N_GB1_1 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 377 - N_GB1_1 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 379 + N_GB1_1 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 377 + N_GB1_1 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 379 N_GB1_1 N_GB1_45 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 1 382 - N_GB1_1 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 385 + N_GB1_1 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 385 N_GB1_1 N_GB1_46 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 1 395 - N_GB1_1 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 398 + N_GB1_1 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 398 N_GB1_1 N_GB1_47 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 1 404 - N_GB1_1 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 407 + N_GB1_1 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 407 N_GB1_1 N_GB1_48 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 9.824292e-05 0.004395 0.001132 True md_ensemble 7 1 413 - N_GB1_1 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 416 + N_GB1_1 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 416 N_GB1_1 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 1 419 - N_GB1_1 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 422 - N_GB1_1 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 424 + N_GB1_1 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 422 + N_GB1_1 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 424 N_GB1_1 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 1 427 - N_GB1_1 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 430 - N_GB1_1 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 431 - N_GB1_1 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 432 - N_GB1_1 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 433 + N_GB1_1 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 430 + N_GB1_1 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 431 + N_GB1_1 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 432 + N_GB1_1 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 433 N_GB1_1 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 434 N_GB1_1 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 1 437 - N_GB1_1 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 440 - N_GB1_1 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 442 + N_GB1_1 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 440 + N_GB1_1 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 442 N_GB1_1 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 1 445 - N_GB1_1 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 448 + N_GB1_1 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 448 N_GB1_1 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 1 457 - N_GB1_1 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 460 - N_GB1_1 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 462 + N_GB1_1 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 460 + N_GB1_1 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 462 N_GB1_1 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.767942e-06 0.004395 0.001132 True md_ensemble 7 1 465 - N_GB1_1 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 468 - N_GB1_1 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 469 - N_GB1_1 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 470 + N_GB1_1 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 468 + N_GB1_1 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 469 + N_GB1_1 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 470 N_GB1_1 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 1 473 - N_GB1_1 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 476 - N_GB1_1 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 478 + N_GB1_1 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 476 + N_GB1_1 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 478 N_GB1_1 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 1 481 - N_GB1_1 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 484 - N_GB1_1 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 485 - CA_GB1_1 CE_GB1_1 1 0.000000e+00 2.373780e-05 ; 3.668161e-01 -2.373780e-05 1.000000e+00 9.999953e-01 0.004395 0.001132 True md_ensemble 4 2 6 - CA_GB1_1 CB_GB1_2 1 0.000000e+00 6.555574e-05 ; 3.992202e-01 -6.555574e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 2 12 - CA_GB1_1 OG1_GB1_2 1 0.000000e+00 4.408176e-06 ; 3.187987e-01 -4.408176e-06 9.814316e-01 7.499771e-01 0.004395 0.001132 True md_ensemble 5 2 13 - CA_GB1_1 CG2_GB1_2 1 0.000000e+00 4.037040e-05 ; 3.834131e-01 -4.037040e-05 5.825773e-02 7.589298e-01 0.004395 0.001132 True md_ensemble 5 2 14 - CA_GB1_1 C_GB1_2 1 0.000000e+00 1.305180e-05 ; 3.489803e-01 -1.305180e-05 1.000000e+00 9.999954e-01 0.004395 0.001132 True md_ensemble 4 2 15 - CA_GB1_1 O_GB1_2 1 0.000000e+00 2.749839e-06 ; 3.065048e-01 -2.749839e-06 7.809943e-01 4.430485e-01 0.004395 0.001132 True md_ensemble 5 2 16 - CA_GB1_1 N_GB1_3 1 0.000000e+00 6.174370e-06 ; 3.278771e-01 -6.174370e-06 8.263479e-01 6.414468e-01 0.004395 0.001132 True md_ensemble 5 2 17 - CA_GB1_1 CA_GB1_3 1 0.000000e+00 6.374922e-05 ; 3.982917e-01 -6.374922e-05 6.593484e-01 6.317914e-01 0.004395 0.001132 True md_ensemble 6 2 19 + N_GB1_1 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 484 + N_GB1_1 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 1 485 + CA_GB1_1 CE_GB1_1 1 0.000000e+00 2.373779e-05 ; 3.668161e-01 -2.373779e-05 1.000000e+00 9.999953e-01 0.004395 0.001132 True md_ensemble 4 2 6 + CA_GB1_1 CB_GB1_2 1 0.000000e+00 6.555622e-05 ; 3.992205e-01 -6.555622e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 2 12 + CA_GB1_1 OG1_GB1_2 1 0.000000e+00 4.408161e-06 ; 3.187986e-01 -4.408161e-06 9.814316e-01 7.499771e-01 0.004395 0.001132 True md_ensemble 5 2 13 + CA_GB1_1 CG2_GB1_2 1 0.000000e+00 4.037038e-05 ; 3.834131e-01 -4.037038e-05 5.825773e-02 7.589298e-01 0.004395 0.001132 True md_ensemble 5 2 14 + CA_GB1_1 C_GB1_2 1 0.000000e+00 1.305174e-05 ; 3.489801e-01 -1.305174e-05 1.000000e+00 9.999954e-01 0.004395 0.001132 True md_ensemble 4 2 15 + CA_GB1_1 O_GB1_2 1 0.000000e+00 2.749860e-06 ; 3.065050e-01 -2.749860e-06 7.809943e-01 4.430485e-01 0.004395 0.001132 True md_ensemble 5 2 16 + CA_GB1_1 N_GB1_3 1 0.000000e+00 6.174360e-06 ; 3.278770e-01 -6.174360e-06 8.263479e-01 6.414468e-01 0.004395 0.001132 True md_ensemble 5 2 17 + CA_GB1_1 CA_GB1_3 1 0.000000e+00 6.374969e-05 ; 3.982919e-01 -6.374969e-05 6.593484e-01 6.317914e-01 0.004395 0.001132 True md_ensemble 6 2 19 CA_GB1_1 CG_GB1_3 1 4.935701e-03 7.006197e-05 ; 4.920647e-01 8.692713e-02 4.634206e-02 8.171357e-02 0.004395 0.010759 True md_ensemble 7 2 21 CA_GB1_1 CD1_GB1_3 1 7.607938e-03 6.620827e-05 ; 4.535316e-01 2.185555e-01 9.451925e-01 1.299556e-01 0.004395 0.010759 True md_ensemble 7 2 22 CA_GB1_1 CD2_GB1_3 1 7.607938e-03 6.620827e-05 ; 4.535316e-01 2.185555e-01 9.451925e-01 1.299556e-01 0.004395 0.010759 True md_ensemble 7 2 23 @@ -731,18 +731,18 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CA_GB1_1 CG_GB1_50 1 1.521552e-02 3.008471e-04 ; 5.200078e-01 1.923835e-01 4.711812e-02 2.595479e-04 0.004395 0.007117 True md_ensemble 7 2 431 CA_GB1_1 CD_GB1_50 1 1.144702e-02 1.585185e-04 ; 4.900397e-01 2.066544e-01 6.213266e-02 5.968769e-04 0.004395 0.007117 True md_ensemble 7 2 432 CA_GB1_1 CE_GB1_50 1 1.006365e-02 1.248787e-04 ; 4.811593e-01 2.027507e-01 5.760484e-02 4.206404e-04 0.004395 0.007117 True md_ensemble 7 2 433 - CB_GB1_1 SD_GB1_1 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 5 - CB_GB1_1 C_GB1_1 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 7 + CB_GB1_1 SD_GB1_1 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 5 + CB_GB1_1 C_GB1_1 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 7 CB_GB1_1 O_GB1_1 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 8 - CB_GB1_1 N_GB1_2 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 9 - CB_GB1_1 CA_GB1_2 1 0.000000e+00 3.181381e-05 ; 3.758775e-01 -3.181381e-05 9.999950e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 3 11 - CB_GB1_1 CB_GB1_2 1 0.000000e+00 3.046403e-05 ; 3.745220e-01 -3.046403e-05 9.958724e-01 9.534497e-01 0.004395 0.001132 True md_ensemble 5 3 12 - CB_GB1_1 OG1_GB1_2 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 13 + CB_GB1_1 N_GB1_2 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 9 + CB_GB1_1 CA_GB1_2 1 0.000000e+00 3.181368e-05 ; 3.758773e-01 -3.181368e-05 9.999950e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 3 11 + CB_GB1_1 CB_GB1_2 1 0.000000e+00 3.046390e-05 ; 3.745218e-01 -3.046390e-05 9.958724e-01 9.534497e-01 0.004395 0.001132 True md_ensemble 5 3 12 + CB_GB1_1 OG1_GB1_2 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 13 CB_GB1_1 CG2_GB1_2 1 0.000000e+00 1.151981e-05 ; 3.453680e-01 -1.151981e-05 1.381185e-03 1.069204e-01 0.004395 0.001132 True md_ensemble 6 3 14 - CB_GB1_1 C_GB1_2 1 0.000000e+00 5.184581e-06 ; 3.231378e-01 -5.184581e-06 9.945562e-01 8.130931e-01 0.004395 0.001132 True md_ensemble 5 3 15 - CB_GB1_1 O_GB1_2 1 0.000000e+00 1.748612e-06 ; 2.951568e-01 -1.748612e-06 3.808055e-01 2.483203e-01 0.004395 0.001132 True md_ensemble 6 3 16 - CB_GB1_1 N_GB1_3 1 0.000000e+00 5.102271e-06 ; 3.227072e-01 -5.102271e-06 4.727420e-02 4.352388e-01 0.004395 0.001132 True md_ensemble 6 3 17 - CB_GB1_1 CA_GB1_3 1 0.000000e+00 4.288176e-05 ; 3.853462e-01 -4.288176e-05 1.083379e-01 4.562422e-01 0.004395 0.007117 True md_ensemble 7 3 19 + CB_GB1_1 C_GB1_2 1 0.000000e+00 5.184494e-06 ; 3.231374e-01 -5.184494e-06 9.945562e-01 8.130931e-01 0.004395 0.001132 True md_ensemble 5 3 15 + CB_GB1_1 O_GB1_2 1 0.000000e+00 1.748605e-06 ; 2.951567e-01 -1.748605e-06 3.808055e-01 2.483203e-01 0.004395 0.001132 True md_ensemble 6 3 16 + CB_GB1_1 N_GB1_3 1 0.000000e+00 5.102204e-06 ; 3.227068e-01 -5.102204e-06 4.727420e-02 4.352388e-01 0.004395 0.001132 True md_ensemble 6 3 17 + CB_GB1_1 CA_GB1_3 1 0.000000e+00 4.288158e-05 ; 3.853460e-01 -4.288158e-05 1.083379e-01 4.562422e-01 0.004395 0.007117 True md_ensemble 7 3 19 CB_GB1_1 CG_GB1_3 1 4.039546e-03 3.400310e-05 ; 4.510219e-01 1.199739e-01 1.097644e-01 1.152011e-01 0.004395 0.012152 True md_ensemble 7 3 21 CB_GB1_1 CD1_GB1_3 1 3.683269e-03 1.663884e-05 ; 4.065821e-01 2.038374e-01 6.365441e-01 1.314809e-01 0.004395 0.012152 True md_ensemble 7 3 22 CB_GB1_1 CD2_GB1_3 1 3.683269e-03 1.663884e-05 ; 4.065821e-01 2.038374e-01 6.365441e-01 1.314809e-01 0.004395 0.012152 True md_ensemble 7 3 23 @@ -750,72 +750,72 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CB_GB1_1 CE2_GB1_3 1 1.750466e-03 3.435908e-06 ; 3.538463e-01 2.229493e-01 8.810406e-01 1.256453e-01 0.004395 0.012152 True md_ensemble 7 3 25 CB_GB1_1 CZ_GB1_3 1 1.799704e-03 4.149522e-06 ; 3.634680e-01 1.951391e-01 4.452755e-01 1.088641e-01 0.004395 0.012152 True md_ensemble 7 3 26 CB_GB1_1 OH_GB1_3 1 4.486716e-04 6.710575e-07 ; 3.381727e-01 7.499589e-02 2.477971e-01 5.791388e-02 0.004395 0.001132 True md_ensemble 7 3 27 - CB_GB1_1 C_GB1_3 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 28 + CB_GB1_1 C_GB1_3 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 28 CB_GB1_1 O_GB1_3 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.660006e-01 0.004395 0.007862 True md_ensemble 7 3 29 - CB_GB1_1 N_GB1_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 30 - CB_GB1_1 NZ_GB1_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 37 - CB_GB1_1 C_GB1_4 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 38 + CB_GB1_1 N_GB1_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 30 + CB_GB1_1 NZ_GB1_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 37 + CB_GB1_1 C_GB1_4 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 38 CB_GB1_1 O_GB1_4 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.152635e-02 0.004395 0.007862 True md_ensemble 7 3 39 - CB_GB1_1 N_GB1_5 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 40 - CB_GB1_1 C_GB1_5 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 47 + CB_GB1_1 N_GB1_5 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 40 + CB_GB1_1 C_GB1_5 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 47 CB_GB1_1 O_GB1_5 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.138487e-03 0.004395 0.007862 True md_ensemble 7 3 48 - CB_GB1_1 N_GB1_6 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 49 - CB_GB1_1 C_GB1_6 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 56 + CB_GB1_1 N_GB1_6 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 49 + CB_GB1_1 C_GB1_6 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 56 CB_GB1_1 O_GB1_6 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.748009e-03 0.004395 0.007862 True md_ensemble 7 3 57 - CB_GB1_1 N_GB1_7 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 58 - CB_GB1_1 C_GB1_7 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 65 + CB_GB1_1 N_GB1_7 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 58 + CB_GB1_1 C_GB1_7 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 65 CB_GB1_1 O_GB1_7 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 8.387073e-04 0.004395 0.007862 True md_ensemble 7 3 66 - CB_GB1_1 N_GB1_8 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 67 - CB_GB1_1 CG_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 71 + CB_GB1_1 N_GB1_8 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 67 + CB_GB1_1 CG_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 71 CB_GB1_1 OD1_GB1_8 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.614785e-03 0.004395 0.007862 True md_ensemble 7 3 72 - CB_GB1_1 ND2_GB1_8 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 73 - CB_GB1_1 C_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 74 + CB_GB1_1 ND2_GB1_8 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 73 + CB_GB1_1 C_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 74 CB_GB1_1 O_GB1_8 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.464967e-03 0.004395 0.007862 True md_ensemble 7 3 75 - CB_GB1_1 N_GB1_9 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 76 - CB_GB1_1 C_GB1_9 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 79 + CB_GB1_1 N_GB1_9 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 76 + CB_GB1_1 C_GB1_9 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 79 CB_GB1_1 O_GB1_9 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.190360e-03 0.004395 0.007862 True md_ensemble 7 3 80 - CB_GB1_1 N_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 81 - CB_GB1_1 NZ_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 88 - CB_GB1_1 C_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 89 + CB_GB1_1 N_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 81 + CB_GB1_1 NZ_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 88 + CB_GB1_1 C_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 89 CB_GB1_1 O_GB1_10 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.404200e-04 0.004395 0.007862 True md_ensemble 7 3 90 - CB_GB1_1 N_GB1_11 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 91 - CB_GB1_1 OG1_GB1_11 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 95 - CB_GB1_1 C_GB1_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 97 + CB_GB1_1 N_GB1_11 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 91 + CB_GB1_1 OG1_GB1_11 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 95 + CB_GB1_1 C_GB1_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 97 CB_GB1_1 O_GB1_11 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.090001e-04 0.004395 0.007862 True md_ensemble 7 3 98 - CB_GB1_1 N_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 99 - CB_GB1_1 C_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 106 + CB_GB1_1 N_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 99 + CB_GB1_1 C_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 106 CB_GB1_1 O_GB1_12 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.453750e-04 0.004395 0.007862 True md_ensemble 7 3 107 - CB_GB1_1 N_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 108 - CB_GB1_1 NZ_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 115 - CB_GB1_1 C_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 116 + CB_GB1_1 N_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 108 + CB_GB1_1 NZ_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 115 + CB_GB1_1 C_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 116 CB_GB1_1 O_GB1_13 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.850112e-04 0.004395 0.007862 True md_ensemble 7 3 117 - CB_GB1_1 N_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 118 - CB_GB1_1 C_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 121 + CB_GB1_1 N_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 118 + CB_GB1_1 C_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 121 CB_GB1_1 O_GB1_14 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.064642e-04 0.004395 0.007862 True md_ensemble 7 3 122 - CB_GB1_1 N_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 123 - CB_GB1_1 CD_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 128 - CB_GB1_1 OE1_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 129 - CB_GB1_1 OE2_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 130 - CB_GB1_1 C_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 131 + CB_GB1_1 N_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 123 + CB_GB1_1 CD_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 128 + CB_GB1_1 OE1_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 129 + CB_GB1_1 OE2_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 130 + CB_GB1_1 C_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 131 CB_GB1_1 O_GB1_15 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.048561e-04 0.004395 0.007862 True md_ensemble 7 3 132 - CB_GB1_1 N_GB1_16 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 133 - CB_GB1_1 OG1_GB1_16 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 137 - CB_GB1_1 C_GB1_16 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 139 + CB_GB1_1 N_GB1_16 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 133 + CB_GB1_1 OG1_GB1_16 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 137 + CB_GB1_1 C_GB1_16 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 139 CB_GB1_1 O_GB1_16 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 3 140 - CB_GB1_1 N_GB1_17 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 141 - CB_GB1_1 OG1_GB1_17 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 145 - CB_GB1_1 C_GB1_17 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 147 + CB_GB1_1 N_GB1_17 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 141 + CB_GB1_1 OG1_GB1_17 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 145 + CB_GB1_1 C_GB1_17 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 147 CB_GB1_1 O_GB1_17 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.001062e-04 0.004395 0.007862 True md_ensemble 7 3 148 - CB_GB1_1 N_GB1_18 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 149 - CB_GB1_1 OG1_GB1_18 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 153 - CB_GB1_1 C_GB1_18 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 155 + CB_GB1_1 N_GB1_18 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 149 + CB_GB1_1 OG1_GB1_18 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 153 + CB_GB1_1 C_GB1_18 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 155 CB_GB1_1 O_GB1_18 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.000214e-04 0.004395 0.007862 True md_ensemble 7 3 156 - CB_GB1_1 N_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 157 + CB_GB1_1 N_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 157 CB_GB1_1 CG_GB1_19 1 5.236163e-03 7.728153e-05 ; 4.952720e-01 8.869326e-02 6.314317e-03 1.006102e-03 0.004395 0.007860 True md_ensemble 7 3 161 CB_GB1_1 CD_GB1_19 1 8.711390e-03 9.011695e-05 ; 4.667882e-01 2.105273e-01 6.697649e-02 7.678196e-04 0.004395 0.001132 True md_ensemble 7 3 162 CB_GB1_1 OE1_GB1_19 1 4.410923e-03 2.220646e-05 ; 4.139917e-01 2.190380e-01 7.898874e-02 5.459949e-04 0.004395 0.001132 True md_ensemble 7 3 163 CB_GB1_1 OE2_GB1_19 1 4.410923e-03 2.220646e-05 ; 4.139917e-01 2.190380e-01 7.898874e-02 5.459949e-04 0.004395 0.001132 True md_ensemble 7 3 164 - CB_GB1_1 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 165 + CB_GB1_1 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 165 CB_GB1_1 O_GB1_19 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 7.537500e-06 3.013982e-04 0.004395 0.007862 True md_ensemble 7 3 166 CB_GB1_1 N_GB1_20 1 3.850878e-03 3.055810e-05 ; 4.466093e-01 1.213202e-01 1.188445e-02 0.000000e+00 0.004395 0.001132 True md_ensemble 7 3 167 CB_GB1_1 CA_GB1_20 1 2.145404e-02 3.904057e-04 ; 5.128628e-01 2.947420e-01 3.426413e-01 7.013580e-04 0.004395 0.007117 True md_ensemble 7 3 169 @@ -828,172 +828,172 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CB_GB1_1 CG2_GB1_21 1 5.360503e-03 4.970808e-05 ; 4.583567e-01 1.445187e-01 1.863217e-02 5.976412e-04 0.004395 0.012151 True md_ensemble 7 3 178 CB_GB1_1 C_GB1_21 1 6.889246e-03 4.901991e-05 ; 4.385645e-01 2.420532e-01 1.233976e-01 1.650323e-04 0.004395 0.001132 True md_ensemble 7 3 179 CB_GB1_1 O_GB1_21 1 2.167530e-03 4.799643e-06 ; 3.610278e-01 2.447154e-01 1.299321e-01 2.999014e-04 0.004395 0.007862 True md_ensemble 7 3 180 - CB_GB1_1 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 181 + CB_GB1_1 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 181 CB_GB1_1 CA_GB1_22 1 8.975264e-03 1.820869e-04 ; 5.222422e-01 1.106001e-01 9.654682e-03 2.523941e-05 0.004395 0.007117 True md_ensemble 7 3 183 - CB_GB1_1 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 185 - CB_GB1_1 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 186 - CB_GB1_1 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 187 - CB_GB1_1 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 188 + CB_GB1_1 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 185 + CB_GB1_1 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 186 + CB_GB1_1 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 187 + CB_GB1_1 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 188 CB_GB1_1 O_GB1_22 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000050e-04 0.004395 0.007862 True md_ensemble 7 3 189 - CB_GB1_1 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 190 - CB_GB1_1 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 194 + CB_GB1_1 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 190 + CB_GB1_1 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 194 CB_GB1_1 O_GB1_23 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.997976e-04 0.004395 0.007862 True md_ensemble 7 3 195 - CB_GB1_1 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 196 - CB_GB1_1 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 200 + CB_GB1_1 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 196 + CB_GB1_1 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 200 CB_GB1_1 O_GB1_24 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.318367e-04 0.004395 0.007862 True md_ensemble 7 3 201 - CB_GB1_1 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 202 - CB_GB1_1 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 206 - CB_GB1_1 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 208 + CB_GB1_1 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 202 + CB_GB1_1 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 206 + CB_GB1_1 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 208 CB_GB1_1 O_GB1_25 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000415e-04 0.004395 0.007862 True md_ensemble 7 3 209 - CB_GB1_1 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 210 - CB_GB1_1 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 214 + CB_GB1_1 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 210 + CB_GB1_1 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 214 CB_GB1_1 O_GB1_26 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.567035e-04 0.004395 0.007862 True md_ensemble 7 3 215 - CB_GB1_1 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 216 - CB_GB1_1 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 221 - CB_GB1_1 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 222 - CB_GB1_1 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 223 - CB_GB1_1 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 224 + CB_GB1_1 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 216 + CB_GB1_1 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 221 + CB_GB1_1 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 222 + CB_GB1_1 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 223 + CB_GB1_1 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 224 CB_GB1_1 O_GB1_27 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.011131e-04 0.004395 0.007862 True md_ensemble 7 3 225 - CB_GB1_1 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 226 - CB_GB1_1 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 233 - CB_GB1_1 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 234 + CB_GB1_1 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 226 + CB_GB1_1 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 233 + CB_GB1_1 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 234 CB_GB1_1 O_GB1_28 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000058e-04 0.004395 0.007862 True md_ensemble 7 3 235 - CB_GB1_1 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 236 - CB_GB1_1 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 242 + CB_GB1_1 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 236 + CB_GB1_1 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 242 CB_GB1_1 O_GB1_29 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.978835e-05 0.004395 0.007862 True md_ensemble 7 3 243 - CB_GB1_1 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 244 - CB_GB1_1 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 254 + CB_GB1_1 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 244 + CB_GB1_1 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 254 CB_GB1_1 O_GB1_30 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.507845e-04 0.004395 0.007862 True md_ensemble 7 3 255 - CB_GB1_1 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 256 - CB_GB1_1 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 263 - CB_GB1_1 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 264 + CB_GB1_1 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 256 + CB_GB1_1 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 263 + CB_GB1_1 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 264 CB_GB1_1 O_GB1_31 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.001883e-04 0.004395 0.007862 True md_ensemble 7 3 265 - CB_GB1_1 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 266 - CB_GB1_1 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 271 + CB_GB1_1 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 266 + CB_GB1_1 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 271 CB_GB1_1 OE1_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.986425e-04 0.004395 0.007862 True md_ensemble 7 3 272 - CB_GB1_1 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 273 - CB_GB1_1 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 274 + CB_GB1_1 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 273 + CB_GB1_1 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 274 CB_GB1_1 O_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.999520e-05 0.004395 0.007862 True md_ensemble 7 3 275 - CB_GB1_1 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 276 - CB_GB1_1 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 286 - CB_GB1_1 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 287 + CB_GB1_1 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 276 + CB_GB1_1 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 286 + CB_GB1_1 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 287 CB_GB1_1 O_GB1_33 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.596482e-04 0.004395 0.007862 True md_ensemble 7 3 288 - CB_GB1_1 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 289 - CB_GB1_1 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 293 + CB_GB1_1 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 289 + CB_GB1_1 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 293 CB_GB1_1 O_GB1_34 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 3 294 - CB_GB1_1 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 295 - CB_GB1_1 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 299 + CB_GB1_1 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 295 + CB_GB1_1 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 299 CB_GB1_1 OD1_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.929852e-04 0.004395 0.007862 True md_ensemble 7 3 300 - CB_GB1_1 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 301 - CB_GB1_1 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 302 + CB_GB1_1 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 301 + CB_GB1_1 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 302 CB_GB1_1 O_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.619861e-05 0.004395 0.007862 True md_ensemble 7 3 303 - CB_GB1_1 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 304 - CB_GB1_1 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 308 - CB_GB1_1 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 309 - CB_GB1_1 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 310 - CB_GB1_1 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 311 + CB_GB1_1 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 304 + CB_GB1_1 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 308 + CB_GB1_1 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 309 + CB_GB1_1 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 310 + CB_GB1_1 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 311 CB_GB1_1 O_GB1_36 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.003496e-04 0.004395 0.007862 True md_ensemble 7 3 312 - CB_GB1_1 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 313 - CB_GB1_1 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 317 + CB_GB1_1 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 313 + CB_GB1_1 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 317 CB_GB1_1 OD1_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.689964e-04 0.004395 0.007862 True md_ensemble 7 3 318 - CB_GB1_1 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 319 - CB_GB1_1 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 320 + CB_GB1_1 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 319 + CB_GB1_1 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 320 CB_GB1_1 O_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.985633e-05 0.004395 0.007862 True md_ensemble 7 3 321 - CB_GB1_1 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 322 - CB_GB1_1 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 325 + CB_GB1_1 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 322 + CB_GB1_1 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 325 CB_GB1_1 O_GB1_38 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.086731e-04 0.004395 0.007862 True md_ensemble 7 3 326 - CB_GB1_1 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 327 - CB_GB1_1 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 333 + CB_GB1_1 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 327 + CB_GB1_1 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 333 CB_GB1_1 O_GB1_39 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 3 334 - CB_GB1_1 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 335 - CB_GB1_1 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 339 - CB_GB1_1 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 340 - CB_GB1_1 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 341 - CB_GB1_1 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 342 + CB_GB1_1 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 335 + CB_GB1_1 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 339 + CB_GB1_1 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 340 + CB_GB1_1 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 341 + CB_GB1_1 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 342 CB_GB1_1 O_GB1_40 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.997631e-05 0.004395 0.007862 True md_ensemble 7 3 343 - CB_GB1_1 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 344 - CB_GB1_1 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 347 + CB_GB1_1 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 344 + CB_GB1_1 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 347 CB_GB1_1 O_GB1_41 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.991662e-05 0.004395 0.007862 True md_ensemble 7 3 348 - CB_GB1_1 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 349 - CB_GB1_1 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 354 - CB_GB1_1 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 355 - CB_GB1_1 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 356 - CB_GB1_1 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 357 + CB_GB1_1 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 349 + CB_GB1_1 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 354 + CB_GB1_1 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 355 + CB_GB1_1 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 356 + CB_GB1_1 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 357 CB_GB1_1 O_GB1_42 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 3 358 - CB_GB1_1 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 359 - CB_GB1_1 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 366 - CB_GB1_1 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 372 + CB_GB1_1 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 359 + CB_GB1_1 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 366 + CB_GB1_1 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 372 CB_GB1_1 O_GB1_43 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 3 373 - CB_GB1_1 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 374 - CB_GB1_1 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 378 - CB_GB1_1 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 380 + CB_GB1_1 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 374 + CB_GB1_1 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 378 + CB_GB1_1 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 380 CB_GB1_1 O_GB1_44 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.796115e-06 0.004395 0.007862 True md_ensemble 7 3 381 - CB_GB1_1 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 382 - CB_GB1_1 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 392 - CB_GB1_1 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 393 + CB_GB1_1 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 382 + CB_GB1_1 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 392 + CB_GB1_1 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 393 CB_GB1_1 O_GB1_45 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 3 394 - CB_GB1_1 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 395 - CB_GB1_1 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 399 - CB_GB1_1 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 400 - CB_GB1_1 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 401 - CB_GB1_1 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 402 + CB_GB1_1 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 395 + CB_GB1_1 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 399 + CB_GB1_1 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 400 + CB_GB1_1 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 401 + CB_GB1_1 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 402 CB_GB1_1 O_GB1_46 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.941905e-06 0.004395 0.007862 True md_ensemble 7 3 403 - CB_GB1_1 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 404 - CB_GB1_1 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 408 - CB_GB1_1 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 409 - CB_GB1_1 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 410 - CB_GB1_1 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 411 + CB_GB1_1 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 404 + CB_GB1_1 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 408 + CB_GB1_1 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 409 + CB_GB1_1 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 410 + CB_GB1_1 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 411 CB_GB1_1 O_GB1_47 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.004797e-04 0.004395 0.007862 True md_ensemble 7 3 412 - CB_GB1_1 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 413 - CB_GB1_1 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 417 + CB_GB1_1 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 413 + CB_GB1_1 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 417 CB_GB1_1 O_GB1_48 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.639545e-04 0.004395 0.007862 True md_ensemble 7 3 418 - CB_GB1_1 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 419 - CB_GB1_1 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 423 - CB_GB1_1 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 425 + CB_GB1_1 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 419 + CB_GB1_1 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 423 + CB_GB1_1 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 425 CB_GB1_1 O_GB1_49 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 3 426 - CB_GB1_1 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 427 + CB_GB1_1 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 427 CB_GB1_1 CB_GB1_50 1 1.056915e-02 1.308603e-04 ; 4.809811e-01 2.134087e-01 7.082358e-02 0.000000e+00 0.004395 0.007860 True md_ensemble 7 3 430 CB_GB1_1 CG_GB1_50 1 1.090415e-02 9.780799e-05 ; 4.558239e-01 3.039132e-01 4.093005e-01 9.994868e-05 0.004395 0.007860 True md_ensemble 7 3 431 CB_GB1_1 CD_GB1_50 1 5.889957e-03 3.122616e-05 ; 4.175749e-01 2.777446e-01 2.464655e-01 1.999078e-04 0.004395 0.007860 True md_ensemble 7 3 432 CB_GB1_1 CE_GB1_50 1 4.691478e-03 1.990274e-05 ; 4.023468e-01 2.764690e-01 2.404462e-01 1.997623e-04 0.004395 0.007860 True md_ensemble 7 3 433 CB_GB1_1 NZ_GB1_50 1 2.992557e-03 1.612356e-05 ; 4.187001e-01 1.388557e-01 1.669525e-02 3.018942e-05 0.004395 0.001132 True md_ensemble 7 3 434 - CB_GB1_1 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 435 + CB_GB1_1 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 435 CB_GB1_1 O_GB1_50 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.615870e-05 0.004395 0.007862 True md_ensemble 7 3 436 - CB_GB1_1 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 437 - CB_GB1_1 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 441 - CB_GB1_1 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 443 + CB_GB1_1 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 437 + CB_GB1_1 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 441 + CB_GB1_1 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 443 CB_GB1_1 O_GB1_51 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 3 444 - CB_GB1_1 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 445 - CB_GB1_1 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 455 + CB_GB1_1 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 445 + CB_GB1_1 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 455 CB_GB1_1 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.015761e-04 0.004395 0.007862 True md_ensemble 7 3 456 - CB_GB1_1 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 457 - CB_GB1_1 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 461 - CB_GB1_1 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 463 + CB_GB1_1 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 457 + CB_GB1_1 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 461 + CB_GB1_1 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 463 CB_GB1_1 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.001161e-04 0.004395 0.007862 True md_ensemble 7 3 464 - CB_GB1_1 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 465 - CB_GB1_1 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 471 + CB_GB1_1 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 465 + CB_GB1_1 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 471 CB_GB1_1 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 8.546926e-05 0.004395 0.007862 True md_ensemble 7 3 472 - CB_GB1_1 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 473 - CB_GB1_1 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 477 - CB_GB1_1 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 479 + CB_GB1_1 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 473 + CB_GB1_1 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 477 + CB_GB1_1 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 479 CB_GB1_1 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.561025e-05 0.004395 0.007862 True md_ensemble 7 3 480 - CB_GB1_1 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 481 - CB_GB1_1 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 486 - CB_GB1_1 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 487 - CB_GB1_1 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 488 - CB_GB1_1 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 489 - CB_GB1_1 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 490 - CB_GB1_1 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 491 - CG_GB1_1 SD_GB1_1 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 5 - CG_GB1_1 C_GB1_1 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 7 - CG_GB1_1 O_GB1_1 1 0.000000e+00 1.796799e-06 ; 2.958262e-01 -1.796799e-06 9.843883e-01 8.758098e-01 0.004395 0.001132 True md_ensemble 4 4 8 - CG_GB1_1 N_GB1_2 1 0.000000e+00 3.657584e-06 ; 3.138782e-01 -3.657584e-06 9.999572e-01 9.949253e-01 0.004395 0.001132 True md_ensemble 4 4 9 - CG_GB1_1 CA_GB1_2 1 0.000000e+00 2.625195e-05 ; 3.699064e-01 -2.625195e-05 9.823974e-01 8.075762e-01 0.004395 0.001132 True md_ensemble 5 4 11 - CG_GB1_1 CB_GB1_2 1 0.000000e+00 2.064355e-05 ; 3.625715e-01 -2.064355e-05 4.895714e-01 1.384609e-01 0.004395 0.001132 True md_ensemble 6 4 12 - CG_GB1_1 OG1_GB1_2 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 13 + CB_GB1_1 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 481 + CB_GB1_1 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 486 + CB_GB1_1 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 487 + CB_GB1_1 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 488 + CB_GB1_1 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 489 + CB_GB1_1 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 490 + CB_GB1_1 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 3 491 + CG_GB1_1 SD_GB1_1 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 5 + CG_GB1_1 C_GB1_1 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 7 + CG_GB1_1 O_GB1_1 1 0.000000e+00 1.796793e-06 ; 2.958261e-01 -1.796793e-06 9.843883e-01 8.758098e-01 0.004395 0.001132 True md_ensemble 4 4 8 + CG_GB1_1 N_GB1_2 1 0.000000e+00 3.657536e-06 ; 3.138779e-01 -3.657536e-06 9.999572e-01 9.949253e-01 0.004395 0.001132 True md_ensemble 4 4 9 + CG_GB1_1 CA_GB1_2 1 0.000000e+00 2.625184e-05 ; 3.699062e-01 -2.625184e-05 9.823974e-01 8.075762e-01 0.004395 0.001132 True md_ensemble 5 4 11 + CG_GB1_1 CB_GB1_2 1 0.000000e+00 2.064346e-05 ; 3.625714e-01 -2.064346e-05 4.895714e-01 1.384609e-01 0.004395 0.001132 True md_ensemble 6 4 12 + CG_GB1_1 OG1_GB1_2 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 13 CG_GB1_1 C_GB1_2 1 1.450689e-03 6.142765e-06 ; 4.022212e-01 8.564950e-02 8.102520e-01 1.540369e-01 0.004395 0.001132 True md_ensemble 6 4 15 CG_GB1_1 O_GB1_2 1 1.493205e-03 2.922759e-06 ; 3.536814e-01 1.907154e-01 4.726366e-01 8.144930e-02 0.004395 0.007862 True md_ensemble 7 4 16 - CG_GB1_1 N_GB1_3 1 0.000000e+00 3.180575e-06 ; 3.102443e-01 -3.180575e-06 2.219226e-01 8.713065e-02 0.004395 0.001132 True md_ensemble 7 4 17 + CG_GB1_1 N_GB1_3 1 0.000000e+00 3.180534e-06 ; 3.102440e-01 -3.180534e-06 2.219226e-01 8.713065e-02 0.004395 0.001132 True md_ensemble 7 4 17 CG_GB1_1 CA_GB1_3 1 1.091930e-02 1.885691e-04 ; 5.084083e-01 1.580735e-01 5.247588e-01 1.541205e-01 0.004395 0.007117 True md_ensemble 7 4 19 CG_GB1_1 CB_GB1_3 1 4.818273e-03 7.123670e-05 ; 4.954145e-01 8.147400e-02 7.307532e-02 1.046273e-01 0.004395 0.007860 True md_ensemble 7 4 20 CG_GB1_1 CG_GB1_3 1 6.692578e-03 4.434188e-05 ; 4.333812e-01 2.525299e-01 5.653531e-01 4.544244e-02 0.004395 0.012152 True md_ensemble 7 4 21 @@ -1003,73 +1003,73 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CG_GB1_1 CE2_GB1_3 1 1.080893e-03 1.162990e-06 ; 3.201097e-01 2.511480e-01 9.668243e-01 7.982190e-02 0.004395 0.012152 True md_ensemble 7 4 25 CG_GB1_1 CZ_GB1_3 1 1.691670e-03 2.821101e-06 ; 3.443635e-01 2.536020e-01 9.271607e-01 7.299135e-02 0.004395 0.012152 True md_ensemble 7 4 26 CG_GB1_1 OH_GB1_3 1 9.076303e-04 1.385592e-06 ; 3.393291e-01 1.486355e-01 8.267108e-01 4.636000e-02 0.004395 0.001132 True md_ensemble 7 4 27 - CG_GB1_1 C_GB1_3 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 28 + CG_GB1_1 C_GB1_3 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 28 CG_GB1_1 O_GB1_3 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.283109e-02 0.004395 0.007862 True md_ensemble 7 4 29 - CG_GB1_1 N_GB1_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 30 - CG_GB1_1 NZ_GB1_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 37 - CG_GB1_1 C_GB1_4 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 38 + CG_GB1_1 N_GB1_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 30 + CG_GB1_1 NZ_GB1_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 37 + CG_GB1_1 C_GB1_4 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 38 CG_GB1_1 O_GB1_4 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.640182e-03 0.004395 0.007862 True md_ensemble 7 4 39 - CG_GB1_1 N_GB1_5 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 40 - CG_GB1_1 C_GB1_5 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 47 + CG_GB1_1 N_GB1_5 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 40 + CG_GB1_1 C_GB1_5 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 47 CG_GB1_1 O_GB1_5 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.133742e-03 0.004395 0.007862 True md_ensemble 7 4 48 - CG_GB1_1 N_GB1_6 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 49 - CG_GB1_1 C_GB1_6 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 56 + CG_GB1_1 N_GB1_6 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 49 + CG_GB1_1 C_GB1_6 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 56 CG_GB1_1 O_GB1_6 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.347667e-03 0.004395 0.007862 True md_ensemble 7 4 57 - CG_GB1_1 N_GB1_7 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 58 - CG_GB1_1 C_GB1_7 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 65 + CG_GB1_1 N_GB1_7 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 58 + CG_GB1_1 C_GB1_7 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 65 CG_GB1_1 O_GB1_7 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.120351e-03 0.004395 0.007862 True md_ensemble 7 4 66 - CG_GB1_1 N_GB1_8 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 67 - CG_GB1_1 CG_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 71 + CG_GB1_1 N_GB1_8 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 67 + CG_GB1_1 CG_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 71 CG_GB1_1 OD1_GB1_8 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.754922e-03 0.004395 0.007862 True md_ensemble 7 4 72 - CG_GB1_1 ND2_GB1_8 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 73 - CG_GB1_1 C_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 74 + CG_GB1_1 ND2_GB1_8 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 73 + CG_GB1_1 C_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 74 CG_GB1_1 O_GB1_8 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.429694e-03 0.004395 0.007862 True md_ensemble 7 4 75 - CG_GB1_1 N_GB1_9 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 76 - CG_GB1_1 C_GB1_9 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 79 + CG_GB1_1 N_GB1_9 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 76 + CG_GB1_1 C_GB1_9 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 79 CG_GB1_1 O_GB1_9 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.184630e-03 0.004395 0.007862 True md_ensemble 7 4 80 - CG_GB1_1 N_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 81 - CG_GB1_1 NZ_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 88 - CG_GB1_1 C_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 89 + CG_GB1_1 N_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 81 + CG_GB1_1 NZ_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 88 + CG_GB1_1 C_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 89 CG_GB1_1 O_GB1_10 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.439404e-04 0.004395 0.007862 True md_ensemble 7 4 90 - CG_GB1_1 N_GB1_11 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 91 - CG_GB1_1 OG1_GB1_11 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 95 - CG_GB1_1 C_GB1_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 97 + CG_GB1_1 N_GB1_11 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 91 + CG_GB1_1 OG1_GB1_11 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 95 + CG_GB1_1 C_GB1_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 97 CG_GB1_1 O_GB1_11 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.981393e-04 0.004395 0.007862 True md_ensemble 7 4 98 - CG_GB1_1 N_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 99 - CG_GB1_1 C_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 106 + CG_GB1_1 N_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 99 + CG_GB1_1 C_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 106 CG_GB1_1 O_GB1_12 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 8.826178e-04 0.004395 0.007862 True md_ensemble 7 4 107 - CG_GB1_1 N_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 108 - CG_GB1_1 NZ_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 115 - CG_GB1_1 C_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 116 + CG_GB1_1 N_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 108 + CG_GB1_1 NZ_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 115 + CG_GB1_1 C_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 116 CG_GB1_1 O_GB1_13 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.998885e-04 0.004395 0.007862 True md_ensemble 7 4 117 - CG_GB1_1 N_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 118 - CG_GB1_1 C_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 121 + CG_GB1_1 N_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 118 + CG_GB1_1 C_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 121 CG_GB1_1 O_GB1_14 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.999368e-04 0.004395 0.007862 True md_ensemble 7 4 122 - CG_GB1_1 N_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 123 - CG_GB1_1 CD_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 128 - CG_GB1_1 OE1_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 129 - CG_GB1_1 OE2_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 130 - CG_GB1_1 C_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 131 + CG_GB1_1 N_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 123 + CG_GB1_1 CD_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 128 + CG_GB1_1 OE1_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 129 + CG_GB1_1 OE2_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 130 + CG_GB1_1 C_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 131 CG_GB1_1 O_GB1_15 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.258067e-04 0.004395 0.007862 True md_ensemble 7 4 132 - CG_GB1_1 N_GB1_16 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 133 - CG_GB1_1 OG1_GB1_16 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 137 - CG_GB1_1 C_GB1_16 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 139 + CG_GB1_1 N_GB1_16 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 133 + CG_GB1_1 OG1_GB1_16 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 137 + CG_GB1_1 C_GB1_16 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 139 CG_GB1_1 O_GB1_16 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.787045e-04 0.004395 0.007862 True md_ensemble 7 4 140 - CG_GB1_1 N_GB1_17 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 141 - CG_GB1_1 OG1_GB1_17 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 145 - CG_GB1_1 C_GB1_17 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 147 + CG_GB1_1 N_GB1_17 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 141 + CG_GB1_1 OG1_GB1_17 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 145 + CG_GB1_1 C_GB1_17 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 147 CG_GB1_1 O_GB1_17 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.206774e-04 0.004395 0.007862 True md_ensemble 7 4 148 - CG_GB1_1 N_GB1_18 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 149 - CG_GB1_1 OG1_GB1_18 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 153 - CG_GB1_1 C_GB1_18 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 155 + CG_GB1_1 N_GB1_18 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 149 + CG_GB1_1 OG1_GB1_18 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 153 + CG_GB1_1 C_GB1_18 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 155 CG_GB1_1 O_GB1_18 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.859707e-04 0.004395 0.007862 True md_ensemble 7 4 156 - CG_GB1_1 N_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 157 - CG_GB1_1 CD_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 162 - CG_GB1_1 OE1_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 163 - CG_GB1_1 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 164 - CG_GB1_1 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 165 + CG_GB1_1 N_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 157 + CG_GB1_1 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 162 + CG_GB1_1 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 163 + CG_GB1_1 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 164 + CG_GB1_1 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 165 CG_GB1_1 O_GB1_19 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.354971e-04 0.004395 0.007862 True md_ensemble 7 4 166 - CG_GB1_1 N_GB1_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 167 + CG_GB1_1 N_GB1_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 167 CG_GB1_1 CA_GB1_20 1 2.132489e-02 3.582834e-04 ; 5.060848e-01 3.173124e-01 5.306845e-01 1.237363e-03 0.004395 0.007117 True md_ensemble 7 4 169 CG_GB1_1 C_GB1_20 1 5.940529e-03 2.680690e-05 ; 4.065091e-01 3.291120e-01 6.670608e-01 1.821003e-04 0.004395 0.001132 True md_ensemble 7 4 171 CG_GB1_1 O_GB1_20 1 9.753322e-04 6.937791e-07 ; 2.987754e-01 3.427867e-01 8.695178e-01 1.000652e-04 0.004395 0.007862 True md_ensemble 7 4 172 @@ -1080,174 +1080,174 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CG_GB1_1 CG2_GB1_21 1 6.563717e-03 5.093051e-05 ; 4.449433e-01 2.114763e-01 6.821986e-02 1.237151e-03 0.004395 0.012151 True md_ensemble 7 4 178 CG_GB1_1 C_GB1_21 1 7.311512e-03 4.270669e-05 ; 4.243734e-01 3.129381e-01 4.875444e-01 2.958556e-04 0.004395 0.001132 True md_ensemble 7 4 179 CG_GB1_1 O_GB1_21 1 2.318933e-03 4.233038e-06 ; 3.495913e-01 3.175882e-01 5.335289e-01 4.146869e-04 0.004395 0.007862 True md_ensemble 7 4 180 - CG_GB1_1 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 181 + CG_GB1_1 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 181 CG_GB1_1 CA_GB1_22 1 1.049413e-02 2.250683e-04 ; 5.271020e-01 1.223259e-01 1.211839e-02 4.071000e-04 0.004395 0.007117 True md_ensemble 7 4 183 - CG_GB1_1 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 185 - CG_GB1_1 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 186 - CG_GB1_1 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 187 - CG_GB1_1 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 188 + CG_GB1_1 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 185 + CG_GB1_1 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 186 + CG_GB1_1 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 187 + CG_GB1_1 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 188 CG_GB1_1 O_GB1_22 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 4 189 - CG_GB1_1 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 190 - CG_GB1_1 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 194 + CG_GB1_1 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 190 + CG_GB1_1 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 194 CG_GB1_1 O_GB1_23 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.019002e-04 0.004395 0.007862 True md_ensemble 7 4 195 - CG_GB1_1 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 196 - CG_GB1_1 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 200 + CG_GB1_1 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 196 + CG_GB1_1 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 200 CG_GB1_1 O_GB1_24 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.879246e-04 0.004395 0.007862 True md_ensemble 7 4 201 - CG_GB1_1 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 202 - CG_GB1_1 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 206 - CG_GB1_1 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 208 + CG_GB1_1 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 202 + CG_GB1_1 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 206 + CG_GB1_1 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 208 CG_GB1_1 O_GB1_25 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.883326e-04 0.004395 0.007862 True md_ensemble 7 4 209 - CG_GB1_1 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 210 - CG_GB1_1 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 214 + CG_GB1_1 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 210 + CG_GB1_1 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 214 CG_GB1_1 O_GB1_26 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.997410e-04 0.004395 0.007862 True md_ensemble 7 4 215 - CG_GB1_1 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 216 - CG_GB1_1 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 221 - CG_GB1_1 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 222 - CG_GB1_1 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 223 - CG_GB1_1 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 224 + CG_GB1_1 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 216 + CG_GB1_1 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 221 + CG_GB1_1 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 222 + CG_GB1_1 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 223 + CG_GB1_1 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 224 CG_GB1_1 O_GB1_27 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000626e-04 0.004395 0.007862 True md_ensemble 7 4 225 - CG_GB1_1 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 226 - CG_GB1_1 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 233 - CG_GB1_1 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 234 + CG_GB1_1 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 226 + CG_GB1_1 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 233 + CG_GB1_1 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 234 CG_GB1_1 O_GB1_28 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.256827e-04 0.004395 0.007862 True md_ensemble 7 4 235 - CG_GB1_1 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 236 - CG_GB1_1 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 242 + CG_GB1_1 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 236 + CG_GB1_1 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 242 CG_GB1_1 O_GB1_29 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 4 243 - CG_GB1_1 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 244 - CG_GB1_1 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 254 + CG_GB1_1 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 244 + CG_GB1_1 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 254 CG_GB1_1 O_GB1_30 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.301436e-05 0.004395 0.007862 True md_ensemble 7 4 255 - CG_GB1_1 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 256 - CG_GB1_1 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 263 - CG_GB1_1 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 264 + CG_GB1_1 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 256 + CG_GB1_1 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 263 + CG_GB1_1 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 264 CG_GB1_1 O_GB1_31 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.065880e-04 0.004395 0.007862 True md_ensemble 7 4 265 - CG_GB1_1 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 266 - CG_GB1_1 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 271 + CG_GB1_1 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 266 + CG_GB1_1 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 271 CG_GB1_1 OE1_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.993518e-04 0.004395 0.007862 True md_ensemble 7 4 272 - CG_GB1_1 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 273 - CG_GB1_1 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 274 + CG_GB1_1 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 273 + CG_GB1_1 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 274 CG_GB1_1 O_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.998096e-05 0.004395 0.007862 True md_ensemble 7 4 275 - CG_GB1_1 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 276 - CG_GB1_1 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 286 - CG_GB1_1 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 287 + CG_GB1_1 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 276 + CG_GB1_1 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 286 + CG_GB1_1 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 287 CG_GB1_1 O_GB1_33 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.183729e-04 0.004395 0.007862 True md_ensemble 7 4 288 - CG_GB1_1 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 289 - CG_GB1_1 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 293 + CG_GB1_1 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 289 + CG_GB1_1 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 293 CG_GB1_1 O_GB1_34 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.985080e-05 0.004395 0.007862 True md_ensemble 7 4 294 - CG_GB1_1 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 295 - CG_GB1_1 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 299 + CG_GB1_1 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 295 + CG_GB1_1 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 299 CG_GB1_1 OD1_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.992886e-05 0.004395 0.007862 True md_ensemble 7 4 300 - CG_GB1_1 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 301 - CG_GB1_1 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 302 + CG_GB1_1 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 301 + CG_GB1_1 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 302 CG_GB1_1 O_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000343e-04 0.004395 0.007862 True md_ensemble 7 4 303 - CG_GB1_1 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 304 - CG_GB1_1 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 308 - CG_GB1_1 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 309 - CG_GB1_1 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 310 - CG_GB1_1 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 311 + CG_GB1_1 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 304 + CG_GB1_1 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 308 + CG_GB1_1 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 309 + CG_GB1_1 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 310 + CG_GB1_1 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 311 CG_GB1_1 O_GB1_36 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.975691e-04 0.004395 0.007862 True md_ensemble 7 4 312 - CG_GB1_1 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 313 - CG_GB1_1 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 317 + CG_GB1_1 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 313 + CG_GB1_1 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 317 CG_GB1_1 OD1_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.137388e-04 0.004395 0.007862 True md_ensemble 7 4 318 - CG_GB1_1 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 319 - CG_GB1_1 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 320 + CG_GB1_1 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 319 + CG_GB1_1 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 320 CG_GB1_1 O_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.421472e-04 0.004395 0.007862 True md_ensemble 7 4 321 - CG_GB1_1 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 322 - CG_GB1_1 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 325 + CG_GB1_1 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 322 + CG_GB1_1 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 325 CG_GB1_1 O_GB1_38 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.351967e-04 0.004395 0.007862 True md_ensemble 7 4 326 - CG_GB1_1 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 327 - CG_GB1_1 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 333 + CG_GB1_1 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 327 + CG_GB1_1 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 333 CG_GB1_1 O_GB1_39 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.995775e-05 0.004395 0.007862 True md_ensemble 7 4 334 - CG_GB1_1 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 335 - CG_GB1_1 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 339 - CG_GB1_1 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 340 - CG_GB1_1 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 341 - CG_GB1_1 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 342 + CG_GB1_1 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 335 + CG_GB1_1 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 339 + CG_GB1_1 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 340 + CG_GB1_1 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 341 + CG_GB1_1 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 342 CG_GB1_1 O_GB1_40 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.986891e-05 0.004395 0.007862 True md_ensemble 7 4 343 - CG_GB1_1 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 344 - CG_GB1_1 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 347 + CG_GB1_1 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 344 + CG_GB1_1 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 347 CG_GB1_1 O_GB1_41 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.997066e-05 0.004395 0.007862 True md_ensemble 7 4 348 - CG_GB1_1 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 349 - CG_GB1_1 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 354 - CG_GB1_1 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 355 - CG_GB1_1 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 356 - CG_GB1_1 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 357 + CG_GB1_1 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 349 + CG_GB1_1 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 354 + CG_GB1_1 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 355 + CG_GB1_1 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 356 + CG_GB1_1 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 357 CG_GB1_1 O_GB1_42 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.993015e-05 0.004395 0.007862 True md_ensemble 7 4 358 - CG_GB1_1 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 359 - CG_GB1_1 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 366 - CG_GB1_1 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 372 + CG_GB1_1 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 359 + CG_GB1_1 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 366 + CG_GB1_1 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 372 CG_GB1_1 O_GB1_43 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.519788e-05 0.004395 0.007862 True md_ensemble 7 4 373 - CG_GB1_1 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 374 - CG_GB1_1 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 378 - CG_GB1_1 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 380 + CG_GB1_1 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 374 + CG_GB1_1 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 378 + CG_GB1_1 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 380 CG_GB1_1 O_GB1_44 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000279e-04 0.004395 0.007862 True md_ensemble 7 4 381 - CG_GB1_1 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 382 - CG_GB1_1 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 392 - CG_GB1_1 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 393 + CG_GB1_1 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 382 + CG_GB1_1 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 392 + CG_GB1_1 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 393 CG_GB1_1 O_GB1_45 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 4 394 - CG_GB1_1 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 395 - CG_GB1_1 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 399 - CG_GB1_1 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 400 - CG_GB1_1 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 401 - CG_GB1_1 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 402 + CG_GB1_1 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 395 + CG_GB1_1 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 399 + CG_GB1_1 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 400 + CG_GB1_1 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 401 + CG_GB1_1 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 402 CG_GB1_1 O_GB1_46 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.997642e-05 0.004395 0.007862 True md_ensemble 7 4 403 - CG_GB1_1 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 404 - CG_GB1_1 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 408 - CG_GB1_1 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 409 - CG_GB1_1 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 410 - CG_GB1_1 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 411 + CG_GB1_1 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 404 + CG_GB1_1 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 408 + CG_GB1_1 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 409 + CG_GB1_1 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 410 + CG_GB1_1 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 411 CG_GB1_1 O_GB1_47 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.424908e-05 0.004395 0.007862 True md_ensemble 7 4 412 - CG_GB1_1 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 413 - CG_GB1_1 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 417 + CG_GB1_1 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 413 + CG_GB1_1 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 417 CG_GB1_1 O_GB1_48 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.999264e-04 0.004395 0.007862 True md_ensemble 7 4 418 - CG_GB1_1 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 419 - CG_GB1_1 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 423 - CG_GB1_1 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 425 + CG_GB1_1 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 419 + CG_GB1_1 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 423 + CG_GB1_1 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 425 CG_GB1_1 O_GB1_49 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 2.340000e-06 3.000471e-04 0.004395 0.007862 True md_ensemble 7 4 426 - CG_GB1_1 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 427 + CG_GB1_1 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 427 CG_GB1_1 CA_GB1_50 1 1.423559e-02 3.151765e-04 ; 5.299030e-01 1.607450e-01 2.551854e-02 9.999316e-05 0.004395 0.007117 True md_ensemble 7 4 429 CG_GB1_1 CB_GB1_50 1 1.010760e-02 8.060477e-05 ; 4.469773e-01 3.168661e-01 5.261133e-01 9.989410e-05 0.004395 0.007860 True md_ensemble 7 4 430 CG_GB1_1 CG_GB1_50 1 5.080802e-03 1.899779e-05 ; 3.939688e-01 3.397046e-01 8.190943e-01 9.990964e-05 0.004395 0.007860 True md_ensemble 7 4 431 CG_GB1_1 CD_GB1_50 1 5.589988e-03 2.300364e-05 ; 4.003111e-01 3.395980e-01 8.174036e-01 1.000093e-04 0.004395 0.007860 True md_ensemble 7 4 432 CG_GB1_1 CE_GB1_50 1 5.486905e-03 2.227663e-05 ; 3.994113e-01 3.378668e-01 7.904296e-01 2.911829e-04 0.004395 0.007860 True md_ensemble 7 4 433 CG_GB1_1 NZ_GB1_50 1 3.820714e-03 1.781341e-05 ; 4.087274e-01 2.048717e-01 6.002245e-02 9.985259e-05 0.004395 0.001132 True md_ensemble 7 4 434 - CG_GB1_1 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 435 + CG_GB1_1 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 435 CG_GB1_1 O_GB1_50 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.440509e-06 0.004395 0.007862 True md_ensemble 7 4 436 - CG_GB1_1 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 437 - CG_GB1_1 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 441 - CG_GB1_1 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 443 + CG_GB1_1 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 437 + CG_GB1_1 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 441 + CG_GB1_1 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 443 CG_GB1_1 O_GB1_51 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.774797e-05 0.004395 0.007862 True md_ensemble 7 4 444 - CG_GB1_1 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 445 - CG_GB1_1 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 455 + CG_GB1_1 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 445 + CG_GB1_1 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 455 CG_GB1_1 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.999228e-04 0.004395 0.007862 True md_ensemble 7 4 456 - CG_GB1_1 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 457 - CG_GB1_1 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 461 - CG_GB1_1 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 463 + CG_GB1_1 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 457 + CG_GB1_1 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 461 + CG_GB1_1 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 463 CG_GB1_1 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000474e-04 0.004395 0.007862 True md_ensemble 7 4 464 - CG_GB1_1 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 465 - CG_GB1_1 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 471 + CG_GB1_1 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 465 + CG_GB1_1 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 471 CG_GB1_1 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 4 472 - CG_GB1_1 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 473 - CG_GB1_1 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 477 - CG_GB1_1 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 479 + CG_GB1_1 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 473 + CG_GB1_1 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 477 + CG_GB1_1 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 479 CG_GB1_1 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.573364e-05 0.004395 0.007862 True md_ensemble 7 4 480 - CG_GB1_1 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 481 - CG_GB1_1 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 486 - CG_GB1_1 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 487 - CG_GB1_1 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 488 - CG_GB1_1 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 489 - CG_GB1_1 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 490 - CG_GB1_1 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 491 - SD_GB1_1 CE_GB1_1 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 6 - SD_GB1_1 C_GB1_1 1 0.000000e+00 1.554851e-06 ; 2.922822e-01 -1.554851e-06 8.301328e-01 4.145378e-01 0.004395 0.001132 True md_ensemble 4 5 7 + CG_GB1_1 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 481 + CG_GB1_1 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 486 + CG_GB1_1 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 487 + CG_GB1_1 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 488 + CG_GB1_1 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 489 + CG_GB1_1 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 490 + CG_GB1_1 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 4 491 + SD_GB1_1 CE_GB1_1 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 6 + SD_GB1_1 C_GB1_1 1 0.000000e+00 1.554847e-06 ; 2.922822e-01 -1.554847e-06 8.301328e-01 4.145378e-01 0.004395 0.001132 True md_ensemble 4 5 7 SD_GB1_1 O_GB1_1 1 6.820460e-04 1.200988e-06 ; 3.474995e-01 9.683416e-02 9.470501e-02 1.449524e-02 0.004395 0.001132 True md_ensemble 5 5 8 - SD_GB1_1 N_GB1_2 1 0.000000e+00 1.474705e-06 ; 2.909961e-01 -1.474705e-06 1.496113e-01 1.046495e-01 0.004395 0.001132 True md_ensemble 5 5 9 - SD_GB1_1 CA_GB1_2 1 0.000000e+00 1.208951e-05 ; 3.467601e-01 -1.208951e-05 1.439947e-01 4.867670e-02 0.004395 0.001132 True md_ensemble 6 5 11 + SD_GB1_1 N_GB1_2 1 0.000000e+00 1.474707e-06 ; 2.909961e-01 -1.474707e-06 1.496113e-01 1.046495e-01 0.004395 0.001132 True md_ensemble 5 5 9 + SD_GB1_1 CA_GB1_2 1 0.000000e+00 1.208963e-05 ; 3.467603e-01 -1.208963e-05 1.439947e-01 4.867670e-02 0.004395 0.001132 True md_ensemble 6 5 11 SD_GB1_1 CB_GB1_2 1 2.867117e-03 2.609888e-05 ; 4.569437e-01 7.874248e-02 7.331229e-02 1.593399e-02 0.004395 0.001132 True md_ensemble 7 5 12 - SD_GB1_1 CG2_GB1_2 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 14 + SD_GB1_1 CG2_GB1_2 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 14 SD_GB1_1 C_GB1_2 1 2.205294e-03 5.721668e-06 ; 3.706887e-01 2.124959e-01 6.958148e-02 9.001819e-03 0.004395 0.011584 True md_ensemble 7 5 15 SD_GB1_1 O_GB1_2 1 9.945326e-04 1.232350e-06 ; 3.277322e-01 2.006522e-01 7.551681e-02 1.581663e-02 0.004395 0.011584 True md_ensemble 7 5 16 - SD_GB1_1 CA_GB1_3 1 0.000000e+00 1.378995e-05 ; 3.505838e-01 -1.378995e-05 1.206360e-02 4.399278e-02 0.004395 0.008483 True md_ensemble 7 5 19 - SD_GB1_1 CB_GB1_3 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 20 + SD_GB1_1 CA_GB1_3 1 0.000000e+00 1.379009e-05 ; 3.505841e-01 -1.379009e-05 1.206360e-02 4.399278e-02 0.004395 0.008483 True md_ensemble 7 5 19 + SD_GB1_1 CB_GB1_3 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 20 SD_GB1_1 CG_GB1_3 1 2.380958e-03 9.486125e-06 ; 3.981587e-01 1.494014e-01 2.784976e-02 2.072740e-02 0.004395 0.015244 True md_ensemble 7 5 21 SD_GB1_1 CD1_GB1_3 1 3.248110e-03 1.111230e-05 ; 3.881762e-01 2.373546e-01 3.041398e-01 4.115369e-02 0.004395 0.015244 True md_ensemble 7 5 22 SD_GB1_1 CD2_GB1_3 1 3.248110e-03 1.111230e-05 ; 3.881762e-01 2.373546e-01 3.041398e-01 4.115369e-02 0.004395 0.015244 True md_ensemble 7 5 23 @@ -1255,51 +1255,51 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 SD_GB1_1 CE2_GB1_3 1 1.583454e-03 2.291239e-06 ; 3.363134e-01 2.735777e-01 7.446835e-01 4.993237e-02 0.004395 0.015244 True md_ensemble 7 5 25 SD_GB1_1 CZ_GB1_3 1 1.631740e-03 2.408178e-06 ; 3.374217e-01 2.764096e-01 7.473877e-01 4.743699e-02 0.004395 0.015244 True md_ensemble 7 5 26 SD_GB1_1 OH_GB1_3 1 8.953710e-04 7.444287e-07 ; 3.066456e-01 2.692297e-01 7.302616e-01 4.048223e-02 0.004395 0.011584 True md_ensemble 7 5 27 - SD_GB1_1 CB_GB1_4 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 33 - SD_GB1_1 CG_GB1_4 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 34 - SD_GB1_1 CD_GB1_4 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 35 - SD_GB1_1 CE_GB1_4 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 36 - SD_GB1_1 CB_GB1_5 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 43 - SD_GB1_1 CG_GB1_5 1 0.000000e+00 1.336327e-05 ; 1.190532e-05 -1.336327e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 44 - SD_GB1_1 CD1_GB1_5 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 45 - SD_GB1_1 CD2_GB1_5 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 46 - SD_GB1_1 CB_GB1_6 1 0.000000e+00 1.336327e-05 ; 1.190532e-05 -1.336327e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 52 - SD_GB1_1 CG1_GB1_6 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 53 - SD_GB1_1 CG2_GB1_6 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 54 - SD_GB1_1 CD_GB1_6 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 55 - SD_GB1_1 CB_GB1_7 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 61 - SD_GB1_1 CG_GB1_7 1 0.000000e+00 1.336327e-05 ; 1.190532e-05 -1.336327e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 62 - SD_GB1_1 CD1_GB1_7 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 63 - SD_GB1_1 CD2_GB1_7 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 64 - SD_GB1_1 CB_GB1_8 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 70 - SD_GB1_1 CA_GB1_9 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 78 - SD_GB1_1 CB_GB1_10 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 84 - SD_GB1_1 CG_GB1_10 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 85 - SD_GB1_1 CD_GB1_10 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 86 - SD_GB1_1 CE_GB1_10 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 87 - SD_GB1_1 CB_GB1_11 1 0.000000e+00 1.336327e-05 ; 1.190532e-05 -1.336327e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 94 - SD_GB1_1 CG2_GB1_11 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 96 - SD_GB1_1 CB_GB1_12 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 102 - SD_GB1_1 CG_GB1_12 1 0.000000e+00 1.336327e-05 ; 1.190532e-05 -1.336327e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 103 - SD_GB1_1 CD1_GB1_12 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 104 - SD_GB1_1 CD2_GB1_12 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 105 - SD_GB1_1 CB_GB1_13 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 111 - SD_GB1_1 CG_GB1_13 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 112 - SD_GB1_1 CD_GB1_13 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 113 - SD_GB1_1 CE_GB1_13 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 114 - SD_GB1_1 CA_GB1_14 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 120 - SD_GB1_1 CB_GB1_15 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 126 - SD_GB1_1 CG_GB1_15 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 127 - SD_GB1_1 CB_GB1_16 1 0.000000e+00 1.336327e-05 ; 1.190532e-05 -1.336327e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 136 - SD_GB1_1 CG2_GB1_16 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 138 - SD_GB1_1 CB_GB1_17 1 0.000000e+00 1.336327e-05 ; 1.190532e-05 -1.336327e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 144 - SD_GB1_1 CG2_GB1_17 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 146 - SD_GB1_1 CB_GB1_18 1 0.000000e+00 1.336327e-05 ; 1.190532e-05 -1.336327e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 152 - SD_GB1_1 CG2_GB1_18 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 154 - SD_GB1_1 CB_GB1_19 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 160 - SD_GB1_1 CG_GB1_19 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 161 + SD_GB1_1 CB_GB1_4 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 33 + SD_GB1_1 CG_GB1_4 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 34 + SD_GB1_1 CD_GB1_4 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 35 + SD_GB1_1 CE_GB1_4 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 36 + SD_GB1_1 CB_GB1_5 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 43 + SD_GB1_1 CG_GB1_5 1 0.000000e+00 1.336341e-05 ; 1.190544e-05 -1.336341e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 44 + SD_GB1_1 CD1_GB1_5 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 45 + SD_GB1_1 CD2_GB1_5 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 46 + SD_GB1_1 CB_GB1_6 1 0.000000e+00 1.336341e-05 ; 1.190544e-05 -1.336341e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 52 + SD_GB1_1 CG1_GB1_6 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 53 + SD_GB1_1 CG2_GB1_6 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 54 + SD_GB1_1 CD_GB1_6 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 55 + SD_GB1_1 CB_GB1_7 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 61 + SD_GB1_1 CG_GB1_7 1 0.000000e+00 1.336341e-05 ; 1.190544e-05 -1.336341e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 62 + SD_GB1_1 CD1_GB1_7 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 63 + SD_GB1_1 CD2_GB1_7 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 64 + SD_GB1_1 CB_GB1_8 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 70 + SD_GB1_1 CA_GB1_9 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 78 + SD_GB1_1 CB_GB1_10 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 84 + SD_GB1_1 CG_GB1_10 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 85 + SD_GB1_1 CD_GB1_10 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 86 + SD_GB1_1 CE_GB1_10 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 87 + SD_GB1_1 CB_GB1_11 1 0.000000e+00 1.336341e-05 ; 1.190544e-05 -1.336341e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 94 + SD_GB1_1 CG2_GB1_11 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 96 + SD_GB1_1 CB_GB1_12 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 102 + SD_GB1_1 CG_GB1_12 1 0.000000e+00 1.336341e-05 ; 1.190544e-05 -1.336341e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 103 + SD_GB1_1 CD1_GB1_12 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 104 + SD_GB1_1 CD2_GB1_12 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 105 + SD_GB1_1 CB_GB1_13 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 111 + SD_GB1_1 CG_GB1_13 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 112 + SD_GB1_1 CD_GB1_13 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 113 + SD_GB1_1 CE_GB1_13 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 114 + SD_GB1_1 CA_GB1_14 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 120 + SD_GB1_1 CB_GB1_15 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 126 + SD_GB1_1 CG_GB1_15 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 127 + SD_GB1_1 CB_GB1_16 1 0.000000e+00 1.336341e-05 ; 1.190544e-05 -1.336341e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 136 + SD_GB1_1 CG2_GB1_16 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 138 + SD_GB1_1 CB_GB1_17 1 0.000000e+00 1.336341e-05 ; 1.190544e-05 -1.336341e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 144 + SD_GB1_1 CG2_GB1_17 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 146 + SD_GB1_1 CB_GB1_18 1 0.000000e+00 1.336341e-05 ; 1.190544e-05 -1.336341e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 152 + SD_GB1_1 CG2_GB1_18 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 154 + SD_GB1_1 CB_GB1_19 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 160 + SD_GB1_1 CG_GB1_19 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 161 SD_GB1_1 CA_GB1_20 1 1.074788e-02 1.532046e-04 ; 4.924077e-01 1.885009e-01 4.370233e-02 9.049279e-04 0.004395 0.008483 True md_ensemble 7 5 169 - SD_GB1_1 CB_GB1_20 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 170 + SD_GB1_1 CB_GB1_20 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 170 SD_GB1_1 C_GB1_20 1 3.576187e-03 1.276025e-05 ; 3.909068e-01 2.505654e-01 1.455332e-01 1.000505e-04 0.004395 0.011584 True md_ensemble 7 5 171 SD_GB1_1 O_GB1_20 1 7.017311e-04 4.677589e-07 ; 2.955574e-01 2.631840e-01 1.858595e-01 9.976987e-05 0.004395 0.011584 True md_ensemble 7 5 172 SD_GB1_1 N_GB1_21 1 3.667763e-03 1.585316e-05 ; 4.036012e-01 2.121420e-01 6.910588e-02 0.000000e+00 0.004395 0.011584 True md_ensemble 7 5 173 @@ -1310,79 +1310,79 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 SD_GB1_1 C_GB1_21 1 3.068807e-03 8.330525e-06 ; 3.734941e-01 2.826226e-01 2.709059e-01 0.000000e+00 0.004395 0.011584 True md_ensemble 7 5 179 SD_GB1_1 O_GB1_21 1 9.987475e-04 8.018874e-07 ; 3.048664e-01 3.109840e-01 4.694231e-01 1.306792e-04 0.004395 0.011584 True md_ensemble 7 5 180 SD_GB1_1 CA_GB1_22 1 3.388226e-03 2.880570e-05 ; 4.517703e-01 9.963374e-02 7.805902e-03 1.588905e-04 0.004395 0.008483 True md_ensemble 7 5 183 - SD_GB1_1 CB_GB1_22 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 184 - SD_GB1_1 CB_GB1_23 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 193 - SD_GB1_1 CB_GB1_24 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 199 - SD_GB1_1 CB_GB1_25 1 0.000000e+00 1.336327e-05 ; 1.190532e-05 -1.336327e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 205 - SD_GB1_1 CG2_GB1_25 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 207 - SD_GB1_1 CB_GB1_26 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 213 - SD_GB1_1 CB_GB1_27 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 219 - SD_GB1_1 CG_GB1_27 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 220 - SD_GB1_1 CB_GB1_28 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 229 - SD_GB1_1 CG_GB1_28 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 230 - SD_GB1_1 CD_GB1_28 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 231 - SD_GB1_1 CE_GB1_28 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 232 - SD_GB1_1 CB_GB1_29 1 0.000000e+00 1.336327e-05 ; 1.190532e-05 -1.336327e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 239 - SD_GB1_1 CG1_GB1_29 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 240 - SD_GB1_1 CG2_GB1_29 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 241 - SD_GB1_1 CB_GB1_30 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 247 - SD_GB1_1 CB_GB1_31 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 259 - SD_GB1_1 CG_GB1_31 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 260 - SD_GB1_1 CD_GB1_31 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 261 - SD_GB1_1 CE_GB1_31 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 262 - SD_GB1_1 CB_GB1_32 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 269 - SD_GB1_1 CG_GB1_32 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 270 - SD_GB1_1 CB_GB1_33 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 279 - SD_GB1_1 CB_GB1_34 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 292 - SD_GB1_1 CB_GB1_35 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 298 - SD_GB1_1 CB_GB1_36 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 307 - SD_GB1_1 CB_GB1_37 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 316 - SD_GB1_1 CA_GB1_38 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 324 - SD_GB1_1 CB_GB1_39 1 0.000000e+00 1.336327e-05 ; 1.190532e-05 -1.336327e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 330 - SD_GB1_1 CG1_GB1_39 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 331 - SD_GB1_1 CG2_GB1_39 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 332 - SD_GB1_1 CB_GB1_40 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 338 - SD_GB1_1 CA_GB1_41 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 346 - SD_GB1_1 CB_GB1_42 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 352 - SD_GB1_1 CG_GB1_42 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 353 - SD_GB1_1 CB_GB1_43 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 362 - SD_GB1_1 CB_GB1_44 1 0.000000e+00 1.336327e-05 ; 1.190532e-05 -1.336327e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 377 - SD_GB1_1 CG2_GB1_44 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 379 - SD_GB1_1 CB_GB1_45 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 385 - SD_GB1_1 CB_GB1_46 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 398 - SD_GB1_1 CB_GB1_47 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 407 - SD_GB1_1 CB_GB1_48 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 416 - SD_GB1_1 CB_GB1_49 1 0.000000e+00 1.336327e-05 ; 1.190532e-05 -1.336327e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 422 - SD_GB1_1 CG2_GB1_49 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 424 + SD_GB1_1 CB_GB1_22 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 184 + SD_GB1_1 CB_GB1_23 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 193 + SD_GB1_1 CB_GB1_24 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 199 + SD_GB1_1 CB_GB1_25 1 0.000000e+00 1.336341e-05 ; 1.190544e-05 -1.336341e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 205 + SD_GB1_1 CG2_GB1_25 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 207 + SD_GB1_1 CB_GB1_26 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 213 + SD_GB1_1 CB_GB1_27 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 219 + SD_GB1_1 CG_GB1_27 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 220 + SD_GB1_1 CB_GB1_28 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 229 + SD_GB1_1 CG_GB1_28 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 230 + SD_GB1_1 CD_GB1_28 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 231 + SD_GB1_1 CE_GB1_28 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 232 + SD_GB1_1 CB_GB1_29 1 0.000000e+00 1.336341e-05 ; 1.190544e-05 -1.336341e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 239 + SD_GB1_1 CG1_GB1_29 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 240 + SD_GB1_1 CG2_GB1_29 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 241 + SD_GB1_1 CB_GB1_30 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 247 + SD_GB1_1 CB_GB1_31 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 259 + SD_GB1_1 CG_GB1_31 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 260 + SD_GB1_1 CD_GB1_31 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 261 + SD_GB1_1 CE_GB1_31 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 262 + SD_GB1_1 CB_GB1_32 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 269 + SD_GB1_1 CG_GB1_32 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 270 + SD_GB1_1 CB_GB1_33 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 279 + SD_GB1_1 CB_GB1_34 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 292 + SD_GB1_1 CB_GB1_35 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 298 + SD_GB1_1 CB_GB1_36 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 307 + SD_GB1_1 CB_GB1_37 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 316 + SD_GB1_1 CA_GB1_38 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 324 + SD_GB1_1 CB_GB1_39 1 0.000000e+00 1.336341e-05 ; 1.190544e-05 -1.336341e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 330 + SD_GB1_1 CG1_GB1_39 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 331 + SD_GB1_1 CG2_GB1_39 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 332 + SD_GB1_1 CB_GB1_40 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 338 + SD_GB1_1 CA_GB1_41 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 346 + SD_GB1_1 CB_GB1_42 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 352 + SD_GB1_1 CG_GB1_42 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 353 + SD_GB1_1 CB_GB1_43 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 362 + SD_GB1_1 CB_GB1_44 1 0.000000e+00 1.336341e-05 ; 1.190544e-05 -1.336341e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 377 + SD_GB1_1 CG2_GB1_44 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 379 + SD_GB1_1 CB_GB1_45 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 385 + SD_GB1_1 CB_GB1_46 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 398 + SD_GB1_1 CB_GB1_47 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 407 + SD_GB1_1 CB_GB1_48 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 416 + SD_GB1_1 CB_GB1_49 1 0.000000e+00 1.336341e-05 ; 1.190544e-05 -1.336341e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 422 + SD_GB1_1 CG2_GB1_49 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 424 SD_GB1_1 CA_GB1_50 1 4.908965e-03 6.760659e-05 ; 4.895907e-01 8.911092e-02 6.365642e-03 1.000399e-04 0.004395 0.008483 True md_ensemble 7 5 429 SD_GB1_1 CB_GB1_50 1 6.465322e-03 3.430460e-05 ; 4.176319e-01 3.046267e-01 4.150003e-01 9.988140e-05 0.004395 0.001132 True md_ensemble 7 5 430 SD_GB1_1 CG_GB1_50 1 2.843679e-03 6.013857e-06 ; 3.582714e-01 3.361616e-01 7.647304e-01 9.995477e-05 0.004395 0.001132 True md_ensemble 7 5 431 SD_GB1_1 CD_GB1_50 1 2.628828e-03 5.074311e-06 ; 3.528600e-01 3.404767e-01 8.314443e-01 1.861321e-04 0.004395 0.001132 True md_ensemble 7 5 432 SD_GB1_1 CE_GB1_50 1 2.159658e-03 3.395529e-06 ; 3.409995e-01 3.434018e-01 8.799465e-01 2.001263e-04 0.004395 0.001132 True md_ensemble 7 5 433 SD_GB1_1 NZ_GB1_50 1 2.313785e-03 4.516156e-06 ; 3.535148e-01 2.963582e-01 3.535452e-01 1.000472e-04 0.004395 0.011584 True md_ensemble 7 5 434 - SD_GB1_1 CB_GB1_51 1 0.000000e+00 1.336327e-05 ; 1.190532e-05 -1.336327e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 440 - SD_GB1_1 CG2_GB1_51 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 442 - SD_GB1_1 CB_GB1_52 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 448 - SD_GB1_1 CB_GB1_53 1 0.000000e+00 1.336327e-05 ; 1.190532e-05 -1.336327e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 460 - SD_GB1_1 CG2_GB1_53 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 462 - SD_GB1_1 CB_GB1_54 1 0.000000e+00 1.336327e-05 ; 1.190532e-05 -1.336327e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 468 - SD_GB1_1 CG1_GB1_54 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 469 - SD_GB1_1 CG2_GB1_54 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 470 - SD_GB1_1 CB_GB1_55 1 0.000000e+00 1.336327e-05 ; 1.190532e-05 -1.336327e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 476 - SD_GB1_1 CG2_GB1_55 1 0.000000e+00 4.838878e-06 ; 4.310950e-06 -4.838878e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 478 - SD_GB1_1 CB_GB1_56 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 484 - SD_GB1_1 CG_GB1_56 1 0.000000e+00 6.485086e-06 ; 5.777554e-06 -6.485086e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 485 - CE_GB1_1 C_GB1_1 1 0.000000e+00 4.799372e-06 ; 3.210655e-01 -4.799372e-06 1.596370e-01 1.751373e-01 0.004395 0.001132 True md_ensemble 5 6 7 + SD_GB1_1 CB_GB1_51 1 0.000000e+00 1.336341e-05 ; 1.190544e-05 -1.336341e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 440 + SD_GB1_1 CG2_GB1_51 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 442 + SD_GB1_1 CB_GB1_52 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 448 + SD_GB1_1 CB_GB1_53 1 0.000000e+00 1.336341e-05 ; 1.190544e-05 -1.336341e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 460 + SD_GB1_1 CG2_GB1_53 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 462 + SD_GB1_1 CB_GB1_54 1 0.000000e+00 1.336341e-05 ; 1.190544e-05 -1.336341e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 468 + SD_GB1_1 CG1_GB1_54 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 469 + SD_GB1_1 CG2_GB1_54 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 470 + SD_GB1_1 CB_GB1_55 1 0.000000e+00 1.336341e-05 ; 1.190544e-05 -1.336341e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 476 + SD_GB1_1 CG2_GB1_55 1 0.000000e+00 4.838888e-06 ; 4.310959e-06 -4.838888e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 478 + SD_GB1_1 CB_GB1_56 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 484 + SD_GB1_1 CG_GB1_56 1 0.000000e+00 6.485075e-06 ; 5.777545e-06 -6.485075e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 5 485 + CE_GB1_1 C_GB1_1 1 0.000000e+00 4.799309e-06 ; 3.210652e-01 -4.799309e-06 1.596370e-01 1.751373e-01 0.004395 0.001132 True md_ensemble 5 6 7 CE_GB1_1 O_GB1_1 1 0.000000e+00 1.513811e-06 ; 2.916314e-01 -1.513811e-06 7.407640e-03 1.393628e-02 0.004395 0.001132 True md_ensemble 6 6 8 - CE_GB1_1 N_GB1_2 1 0.000000e+00 2.690019e-06 ; 3.059435e-01 -2.690019e-06 8.163429e-02 6.234582e-02 0.004395 0.001132 True md_ensemble 6 6 9 + CE_GB1_1 N_GB1_2 1 0.000000e+00 2.689994e-06 ; 3.059433e-01 -2.689994e-06 8.163429e-02 6.234582e-02 0.004395 0.001132 True md_ensemble 6 6 9 CE_GB1_1 CA_GB1_2 1 3.233457e-03 1.976564e-05 ; 4.276029e-01 1.322402e-01 7.428075e-02 5.441650e-02 0.004395 0.010759 True md_ensemble 7 6 11 CE_GB1_1 CB_GB1_2 1 4.487394e-03 3.410041e-05 ; 4.433985e-01 1.476280e-01 3.789618e-02 2.060227e-02 0.004395 0.010759 True md_ensemble 7 6 12 - CE_GB1_1 OG1_GB1_2 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 13 - CE_GB1_1 C_GB1_2 1 0.000000e+00 4.581197e-06 ; 3.198232e-01 -4.581197e-06 4.799778e-02 1.733442e-02 0.004395 0.001132 True md_ensemble 7 6 15 + CE_GB1_1 OG1_GB1_2 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 13 + CE_GB1_1 C_GB1_2 1 0.000000e+00 4.581137e-06 ; 3.198228e-01 -4.581137e-06 4.799778e-02 1.733442e-02 0.004395 0.001132 True md_ensemble 7 6 15 CE_GB1_1 O_GB1_2 1 3.883180e-04 2.724568e-07 ; 2.980929e-01 1.383622e-01 5.791541e-02 2.753353e-02 0.004395 0.007862 True md_ensemble 7 6 16 - CE_GB1_1 N_GB1_3 1 0.000000e+00 2.783186e-06 ; 3.068128e-01 -2.783186e-06 1.086895e-02 2.554664e-02 0.004395 0.001132 True md_ensemble 7 6 17 - CE_GB1_1 CA_GB1_3 1 0.000000e+00 2.523350e-05 ; 3.686887e-01 -2.523350e-05 2.525719e-02 8.826154e-02 0.004395 0.010759 True md_ensemble 7 6 19 - CE_GB1_1 CB_GB1_3 1 0.000000e+00 1.241482e-05 ; 3.475282e-01 -1.241482e-05 8.448940e-03 8.614222e-02 0.004395 0.012151 True md_ensemble 7 6 20 + CE_GB1_1 N_GB1_3 1 0.000000e+00 2.783160e-06 ; 3.068126e-01 -2.783160e-06 1.086895e-02 2.554664e-02 0.004395 0.001132 True md_ensemble 7 6 17 + CE_GB1_1 CA_GB1_3 1 0.000000e+00 2.523349e-05 ; 3.686887e-01 -2.523349e-05 2.525719e-02 8.826154e-02 0.004395 0.010759 True md_ensemble 7 6 19 + CE_GB1_1 CB_GB1_3 1 0.000000e+00 1.241467e-05 ; 3.475278e-01 -1.241467e-05 8.448940e-03 8.614222e-02 0.004395 0.012151 True md_ensemble 7 6 20 CE_GB1_1 CG_GB1_3 1 1.385937e-03 4.391947e-06 ; 3.832530e-01 1.093376e-01 2.182035e-02 4.798558e-02 0.004395 0.020719 True md_ensemble 7 6 21 CE_GB1_1 CD1_GB1_3 1 1.171849e-03 3.017564e-06 ; 3.702237e-01 1.137697e-01 2.884622e-02 5.821423e-02 0.004395 0.020719 True md_ensemble 7 6 22 CE_GB1_1 CD2_GB1_3 1 1.171849e-03 3.017564e-06 ; 3.702237e-01 1.137697e-01 2.884622e-02 5.821423e-02 0.004395 0.020719 True md_ensemble 7 6 23 @@ -1390,73 +1390,73 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CE_GB1_1 CE2_GB1_3 1 2.024128e-03 4.218890e-06 ; 3.574045e-01 2.427828e-01 3.762524e-01 6.228602e-02 0.004395 0.020719 True md_ensemble 7 6 25 CE_GB1_1 CZ_GB1_3 1 1.964067e-03 3.789487e-06 ; 3.528342e-01 2.544910e-01 4.391932e-01 5.794388e-02 0.004395 0.020719 True md_ensemble 7 6 26 CE_GB1_1 OH_GB1_3 1 4.809424e-04 4.571669e-07 ; 3.135669e-01 1.264886e-01 5.550177e-01 4.781112e-02 0.004395 0.001132 True md_ensemble 7 6 27 - CE_GB1_1 C_GB1_3 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 28 + CE_GB1_1 C_GB1_3 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 28 CE_GB1_1 O_GB1_3 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 29 - CE_GB1_1 N_GB1_4 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 30 - CE_GB1_1 NZ_GB1_4 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 37 - CE_GB1_1 C_GB1_4 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 38 + CE_GB1_1 N_GB1_4 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 30 + CE_GB1_1 NZ_GB1_4 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 37 + CE_GB1_1 C_GB1_4 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 38 CE_GB1_1 O_GB1_4 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 39 - CE_GB1_1 N_GB1_5 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 40 - CE_GB1_1 C_GB1_5 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 47 + CE_GB1_1 N_GB1_5 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 40 + CE_GB1_1 C_GB1_5 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 47 CE_GB1_1 O_GB1_5 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 48 - CE_GB1_1 N_GB1_6 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 49 - CE_GB1_1 C_GB1_6 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 56 + CE_GB1_1 N_GB1_6 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 49 + CE_GB1_1 C_GB1_6 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 56 CE_GB1_1 O_GB1_6 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 57 - CE_GB1_1 N_GB1_7 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 58 - CE_GB1_1 C_GB1_7 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 65 + CE_GB1_1 N_GB1_7 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 58 + CE_GB1_1 C_GB1_7 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 65 CE_GB1_1 O_GB1_7 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 66 - CE_GB1_1 N_GB1_8 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 67 - CE_GB1_1 CG_GB1_8 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 71 + CE_GB1_1 N_GB1_8 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 67 + CE_GB1_1 CG_GB1_8 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 71 CE_GB1_1 OD1_GB1_8 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 72 - CE_GB1_1 ND2_GB1_8 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 73 - CE_GB1_1 C_GB1_8 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 74 + CE_GB1_1 ND2_GB1_8 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 73 + CE_GB1_1 C_GB1_8 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 74 CE_GB1_1 O_GB1_8 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 75 - CE_GB1_1 N_GB1_9 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 76 - CE_GB1_1 C_GB1_9 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 79 + CE_GB1_1 N_GB1_9 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 76 + CE_GB1_1 C_GB1_9 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 79 CE_GB1_1 O_GB1_9 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 80 - CE_GB1_1 N_GB1_10 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 81 - CE_GB1_1 NZ_GB1_10 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 88 - CE_GB1_1 C_GB1_10 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 89 + CE_GB1_1 N_GB1_10 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 81 + CE_GB1_1 NZ_GB1_10 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 88 + CE_GB1_1 C_GB1_10 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 89 CE_GB1_1 O_GB1_10 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 90 - CE_GB1_1 N_GB1_11 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 91 - CE_GB1_1 OG1_GB1_11 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 95 - CE_GB1_1 C_GB1_11 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 97 + CE_GB1_1 N_GB1_11 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 91 + CE_GB1_1 OG1_GB1_11 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 95 + CE_GB1_1 C_GB1_11 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 97 CE_GB1_1 O_GB1_11 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 98 - CE_GB1_1 N_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 99 - CE_GB1_1 C_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 106 + CE_GB1_1 N_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 99 + CE_GB1_1 C_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 106 CE_GB1_1 O_GB1_12 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 107 - CE_GB1_1 N_GB1_13 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 108 - CE_GB1_1 NZ_GB1_13 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 115 - CE_GB1_1 C_GB1_13 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 116 + CE_GB1_1 N_GB1_13 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 108 + CE_GB1_1 NZ_GB1_13 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 115 + CE_GB1_1 C_GB1_13 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 116 CE_GB1_1 O_GB1_13 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 117 - CE_GB1_1 N_GB1_14 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 118 - CE_GB1_1 C_GB1_14 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 121 + CE_GB1_1 N_GB1_14 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 118 + CE_GB1_1 C_GB1_14 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 121 CE_GB1_1 O_GB1_14 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 122 - CE_GB1_1 N_GB1_15 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 123 - CE_GB1_1 CD_GB1_15 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 128 + CE_GB1_1 N_GB1_15 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 123 + CE_GB1_1 CD_GB1_15 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 128 CE_GB1_1 OE1_GB1_15 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 129 CE_GB1_1 OE2_GB1_15 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 130 - CE_GB1_1 C_GB1_15 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 131 + CE_GB1_1 C_GB1_15 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 131 CE_GB1_1 O_GB1_15 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 132 - CE_GB1_1 N_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 133 - CE_GB1_1 OG1_GB1_16 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 137 - CE_GB1_1 C_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 139 + CE_GB1_1 N_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 133 + CE_GB1_1 OG1_GB1_16 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 137 + CE_GB1_1 C_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 139 CE_GB1_1 O_GB1_16 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 140 - CE_GB1_1 N_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 141 - CE_GB1_1 OG1_GB1_17 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 145 - CE_GB1_1 C_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 147 + CE_GB1_1 N_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 141 + CE_GB1_1 OG1_GB1_17 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 145 + CE_GB1_1 C_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 147 CE_GB1_1 O_GB1_17 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 148 - CE_GB1_1 N_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 149 - CE_GB1_1 OG1_GB1_18 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 153 - CE_GB1_1 C_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 155 + CE_GB1_1 N_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 149 + CE_GB1_1 OG1_GB1_18 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 153 + CE_GB1_1 C_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 155 CE_GB1_1 O_GB1_18 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 156 - CE_GB1_1 N_GB1_19 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 157 - CE_GB1_1 CD_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 162 + CE_GB1_1 N_GB1_19 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 157 + CE_GB1_1 CD_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 162 CE_GB1_1 OE1_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 163 CE_GB1_1 OE2_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 164 - CE_GB1_1 C_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 165 + CE_GB1_1 C_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 165 CE_GB1_1 O_GB1_19 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 166 - CE_GB1_1 N_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 167 + CE_GB1_1 N_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 167 CE_GB1_1 C_GB1_20 1 5.176527e-03 3.812023e-05 ; 4.410822e-01 1.757363e-01 3.412342e-02 3.541317e-04 0.004395 0.001132 True md_ensemble 7 6 171 CE_GB1_1 O_GB1_20 1 2.595004e-03 6.755720e-06 ; 3.708990e-01 2.491979e-01 1.417262e-01 3.976689e-04 0.004395 0.007862 True md_ensemble 7 6 172 CE_GB1_1 N_GB1_21 1 3.103977e-03 1.940076e-05 ; 4.291905e-01 1.241533e-01 1.255532e-02 1.747550e-04 0.004395 0.001132 True md_ensemble 7 6 173 @@ -1466,170 +1466,170 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CE_GB1_1 CG2_GB1_21 1 3.930931e-03 1.702173e-05 ; 4.037241e-01 2.269485e-01 9.207792e-02 1.220270e-03 0.004395 0.020717 True md_ensemble 7 6 178 CE_GB1_1 C_GB1_21 1 4.472261e-03 1.628457e-05 ; 3.922306e-01 3.070564e-01 4.350125e-01 2.683192e-04 0.004395 0.001132 True md_ensemble 7 6 179 CE_GB1_1 O_GB1_21 1 1.094070e-03 9.340976e-07 ; 3.080051e-01 3.203597e-01 5.629748e-01 4.988013e-04 0.004395 0.007862 True md_ensemble 7 6 180 - CE_GB1_1 N_GB1_22 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 181 + CE_GB1_1 N_GB1_22 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 181 CE_GB1_1 CA_GB1_22 1 7.327142e-03 7.627506e-05 ; 4.672773e-01 1.759652e-01 3.427513e-02 3.818989e-04 0.004395 0.010759 True md_ensemble 7 6 183 - CE_GB1_1 CG_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 185 + CE_GB1_1 CG_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 185 CE_GB1_1 OD1_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 186 CE_GB1_1 OD2_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 187 - CE_GB1_1 C_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 188 + CE_GB1_1 C_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 188 CE_GB1_1 O_GB1_22 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 189 - CE_GB1_1 N_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 190 - CE_GB1_1 C_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 194 + CE_GB1_1 N_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 190 + CE_GB1_1 C_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 194 CE_GB1_1 O_GB1_23 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 195 - CE_GB1_1 N_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 196 - CE_GB1_1 C_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 200 + CE_GB1_1 N_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 196 + CE_GB1_1 C_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 200 CE_GB1_1 O_GB1_24 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 201 - CE_GB1_1 N_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 202 - CE_GB1_1 OG1_GB1_25 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 206 - CE_GB1_1 C_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 208 + CE_GB1_1 N_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 202 + CE_GB1_1 OG1_GB1_25 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 206 + CE_GB1_1 C_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 208 CE_GB1_1 O_GB1_25 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 209 - CE_GB1_1 N_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 210 - CE_GB1_1 C_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 214 + CE_GB1_1 N_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 210 + CE_GB1_1 C_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 214 CE_GB1_1 O_GB1_26 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 215 - CE_GB1_1 N_GB1_27 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 216 - CE_GB1_1 CD_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 221 + CE_GB1_1 N_GB1_27 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 216 + CE_GB1_1 CD_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 221 CE_GB1_1 OE1_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 222 CE_GB1_1 OE2_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 223 - CE_GB1_1 C_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 224 + CE_GB1_1 C_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 224 CE_GB1_1 O_GB1_27 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 225 - CE_GB1_1 N_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 226 - CE_GB1_1 NZ_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 233 - CE_GB1_1 C_GB1_28 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 234 + CE_GB1_1 N_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 226 + CE_GB1_1 NZ_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 233 + CE_GB1_1 C_GB1_28 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 234 CE_GB1_1 O_GB1_28 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 235 - CE_GB1_1 N_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 236 - CE_GB1_1 C_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 242 + CE_GB1_1 N_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 236 + CE_GB1_1 C_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 242 CE_GB1_1 O_GB1_29 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 243 - CE_GB1_1 N_GB1_30 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 244 - CE_GB1_1 C_GB1_30 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 254 + CE_GB1_1 N_GB1_30 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 244 + CE_GB1_1 C_GB1_30 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 254 CE_GB1_1 O_GB1_30 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 255 - CE_GB1_1 N_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 256 - CE_GB1_1 NZ_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 263 - CE_GB1_1 C_GB1_31 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 264 + CE_GB1_1 N_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 256 + CE_GB1_1 NZ_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 263 + CE_GB1_1 C_GB1_31 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 264 CE_GB1_1 O_GB1_31 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 265 - CE_GB1_1 N_GB1_32 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 266 - CE_GB1_1 CD_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 271 + CE_GB1_1 N_GB1_32 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 266 + CE_GB1_1 CD_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 271 CE_GB1_1 OE1_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 272 - CE_GB1_1 NE2_GB1_32 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 273 - CE_GB1_1 C_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 274 + CE_GB1_1 NE2_GB1_32 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 273 + CE_GB1_1 C_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 274 CE_GB1_1 O_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 275 - CE_GB1_1 N_GB1_33 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 276 - CE_GB1_1 OH_GB1_33 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 286 - CE_GB1_1 C_GB1_33 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 287 + CE_GB1_1 N_GB1_33 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 276 + CE_GB1_1 OH_GB1_33 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 286 + CE_GB1_1 C_GB1_33 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 287 CE_GB1_1 O_GB1_33 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 288 - CE_GB1_1 N_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 289 - CE_GB1_1 C_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 293 + CE_GB1_1 N_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 289 + CE_GB1_1 C_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 293 CE_GB1_1 O_GB1_34 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 294 - CE_GB1_1 N_GB1_35 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 295 - CE_GB1_1 CG_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 299 + CE_GB1_1 N_GB1_35 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 295 + CE_GB1_1 CG_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 299 CE_GB1_1 OD1_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 300 - CE_GB1_1 ND2_GB1_35 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 301 - CE_GB1_1 C_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 302 + CE_GB1_1 ND2_GB1_35 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 301 + CE_GB1_1 C_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 302 CE_GB1_1 O_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 303 - CE_GB1_1 N_GB1_36 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 304 - CE_GB1_1 CG_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 308 + CE_GB1_1 N_GB1_36 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 304 + CE_GB1_1 CG_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 308 CE_GB1_1 OD1_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 309 CE_GB1_1 OD2_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 310 - CE_GB1_1 C_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 311 + CE_GB1_1 C_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 311 CE_GB1_1 O_GB1_36 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 312 - CE_GB1_1 N_GB1_37 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 313 - CE_GB1_1 CG_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 317 + CE_GB1_1 N_GB1_37 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 313 + CE_GB1_1 CG_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 317 CE_GB1_1 OD1_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 318 - CE_GB1_1 ND2_GB1_37 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 319 - CE_GB1_1 C_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 320 + CE_GB1_1 ND2_GB1_37 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 319 + CE_GB1_1 C_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 320 CE_GB1_1 O_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 321 - CE_GB1_1 N_GB1_38 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 322 - CE_GB1_1 C_GB1_38 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 325 + CE_GB1_1 N_GB1_38 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 322 + CE_GB1_1 C_GB1_38 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 325 CE_GB1_1 O_GB1_38 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 326 - CE_GB1_1 N_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 327 - CE_GB1_1 C_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 333 + CE_GB1_1 N_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 327 + CE_GB1_1 C_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 333 CE_GB1_1 O_GB1_39 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 334 - CE_GB1_1 N_GB1_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 335 - CE_GB1_1 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 339 + CE_GB1_1 N_GB1_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 335 + CE_GB1_1 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 339 CE_GB1_1 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 340 CE_GB1_1 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 341 - CE_GB1_1 C_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 342 + CE_GB1_1 C_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 342 CE_GB1_1 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 343 - CE_GB1_1 N_GB1_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 344 - CE_GB1_1 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 347 + CE_GB1_1 N_GB1_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 344 + CE_GB1_1 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 347 CE_GB1_1 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 348 - CE_GB1_1 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 349 - CE_GB1_1 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 354 + CE_GB1_1 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 349 + CE_GB1_1 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 354 CE_GB1_1 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 355 CE_GB1_1 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 356 - CE_GB1_1 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 357 + CE_GB1_1 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 357 CE_GB1_1 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 358 - CE_GB1_1 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 359 - CE_GB1_1 NE1_GB1_43 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 366 - CE_GB1_1 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 372 + CE_GB1_1 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 359 + CE_GB1_1 NE1_GB1_43 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 366 + CE_GB1_1 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 372 CE_GB1_1 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 373 - CE_GB1_1 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 374 - CE_GB1_1 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 378 - CE_GB1_1 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 380 + CE_GB1_1 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 374 + CE_GB1_1 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 378 + CE_GB1_1 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 380 CE_GB1_1 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 381 - CE_GB1_1 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 382 - CE_GB1_1 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 392 - CE_GB1_1 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 393 + CE_GB1_1 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 382 + CE_GB1_1 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 392 + CE_GB1_1 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 393 CE_GB1_1 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 394 - CE_GB1_1 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 395 - CE_GB1_1 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 399 + CE_GB1_1 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 395 + CE_GB1_1 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 399 CE_GB1_1 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 400 CE_GB1_1 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 401 - CE_GB1_1 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 402 + CE_GB1_1 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 402 CE_GB1_1 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 403 - CE_GB1_1 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 404 - CE_GB1_1 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 408 + CE_GB1_1 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 404 + CE_GB1_1 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 408 CE_GB1_1 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 409 CE_GB1_1 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 410 - CE_GB1_1 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 411 + CE_GB1_1 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 411 CE_GB1_1 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 412 - CE_GB1_1 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 413 - CE_GB1_1 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 417 + CE_GB1_1 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 413 + CE_GB1_1 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 417 CE_GB1_1 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 418 - CE_GB1_1 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 419 - CE_GB1_1 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 423 - CE_GB1_1 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 425 + CE_GB1_1 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 419 + CE_GB1_1 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 423 + CE_GB1_1 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 425 CE_GB1_1 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 426 - CE_GB1_1 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 427 + CE_GB1_1 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 427 CE_GB1_1 CA_GB1_50 1 9.940693e-03 1.426659e-04 ; 4.929663e-01 1.731622e-01 3.246264e-02 1.041375e-04 0.004395 0.010759 True md_ensemble 7 6 429 CE_GB1_1 CB_GB1_50 1 3.156267e-03 9.954399e-06 ; 3.829484e-01 2.501915e-01 1.444822e-01 1.022309e-04 0.004395 0.012151 True md_ensemble 7 6 430 CE_GB1_1 CG_GB1_50 1 3.039787e-03 7.359277e-06 ; 3.664364e-01 3.138999e-01 4.967188e-01 0.000000e+00 0.004395 0.012151 True md_ensemble 7 6 431 CE_GB1_1 CD_GB1_50 1 4.398897e-03 1.469333e-05 ; 3.866304e-01 3.292362e-01 6.686679e-01 9.019847e-05 0.004395 0.012151 True md_ensemble 7 6 432 CE_GB1_1 CE_GB1_50 1 3.471522e-03 8.743916e-06 ; 3.688624e-01 3.445672e-01 9.000502e-01 1.130183e-04 0.004395 0.012151 True md_ensemble 7 6 433 CE_GB1_1 NZ_GB1_50 1 3.780429e-03 1.224825e-05 ; 3.846705e-01 2.917078e-01 3.230709e-01 1.000553e-04 0.004395 0.001132 True md_ensemble 7 6 434 - CE_GB1_1 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 435 + CE_GB1_1 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 435 CE_GB1_1 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 436 - CE_GB1_1 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 437 - CE_GB1_1 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 441 - CE_GB1_1 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 443 + CE_GB1_1 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 437 + CE_GB1_1 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 441 + CE_GB1_1 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 443 CE_GB1_1 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 444 - CE_GB1_1 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 445 - CE_GB1_1 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 455 + CE_GB1_1 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 445 + CE_GB1_1 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 455 CE_GB1_1 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 456 - CE_GB1_1 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 457 - CE_GB1_1 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 461 - CE_GB1_1 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 463 + CE_GB1_1 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 457 + CE_GB1_1 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 461 + CE_GB1_1 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 463 CE_GB1_1 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 464 - CE_GB1_1 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 465 - CE_GB1_1 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 471 + CE_GB1_1 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 465 + CE_GB1_1 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 471 CE_GB1_1 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 472 - CE_GB1_1 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 473 - CE_GB1_1 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 477 - CE_GB1_1 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 479 + CE_GB1_1 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 473 + CE_GB1_1 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 477 + CE_GB1_1 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 479 CE_GB1_1 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 480 - CE_GB1_1 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 481 - CE_GB1_1 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 486 + CE_GB1_1 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 481 + CE_GB1_1 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 486 CE_GB1_1 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 487 CE_GB1_1 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 488 - CE_GB1_1 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 489 + CE_GB1_1 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 489 CE_GB1_1 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 490 CE_GB1_1 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 6 491 - C_GB1_1 CB_GB1_2 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 12 - C_GB1_1 OG1_GB1_2 1 0.000000e+00 9.933296e-07 ; 2.815698e-01 -9.933296e-07 9.994969e-01 8.693426e-01 0.004395 0.001132 True md_ensemble 4 7 13 - C_GB1_1 CG2_GB1_2 1 0.000000e+00 4.709562e-06 ; 3.205605e-01 -4.709562e-06 9.963047e-01 9.928020e-01 0.004395 0.001132 True md_ensemble 4 7 14 - C_GB1_1 O_GB1_2 1 0.000000e+00 6.924169e-07 ; 2.732283e-01 -6.924169e-07 9.996142e-01 8.369355e-01 0.004395 0.001132 True md_ensemble 4 7 16 - C_GB1_1 N_GB1_3 1 0.000000e+00 1.460161e-06 ; 2.907558e-01 -1.460161e-06 9.999730e-01 9.681540e-01 0.004395 0.001132 True md_ensemble 4 7 17 - C_GB1_1 CA_GB1_3 1 0.000000e+00 1.113408e-05 ; 3.443892e-01 -1.113408e-05 9.982702e-01 8.513346e-01 0.004395 0.001132 True md_ensemble 5 7 19 - C_GB1_1 CB_GB1_3 1 0.000000e+00 7.082927e-06 ; 3.316495e-01 -7.082927e-06 1.058143e-01 2.240604e-01 0.004395 0.001132 True md_ensemble 6 7 20 + C_GB1_1 CB_GB1_2 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 12 + C_GB1_1 OG1_GB1_2 1 0.000000e+00 9.933138e-07 ; 2.815695e-01 -9.933138e-07 9.994969e-01 8.693426e-01 0.004395 0.001132 True md_ensemble 4 7 13 + C_GB1_1 CG2_GB1_2 1 0.000000e+00 4.709500e-06 ; 3.205602e-01 -4.709500e-06 9.963047e-01 9.928020e-01 0.004395 0.001132 True md_ensemble 4 7 14 + C_GB1_1 O_GB1_2 1 0.000000e+00 6.924137e-07 ; 2.732282e-01 -6.924137e-07 9.996142e-01 8.369355e-01 0.004395 0.001132 True md_ensemble 4 7 16 + C_GB1_1 N_GB1_3 1 0.000000e+00 1.460140e-06 ; 2.907555e-01 -1.460140e-06 9.999730e-01 9.681540e-01 0.004395 0.001132 True md_ensemble 4 7 17 + C_GB1_1 CA_GB1_3 1 0.000000e+00 1.113402e-05 ; 3.443891e-01 -1.113402e-05 9.982702e-01 8.513346e-01 0.004395 0.001132 True md_ensemble 5 7 19 + C_GB1_1 CB_GB1_3 1 0.000000e+00 7.082808e-06 ; 3.316491e-01 -7.082808e-06 1.058143e-01 2.240604e-01 0.004395 0.001132 True md_ensemble 6 7 20 C_GB1_1 CG_GB1_3 1 4.184181e-03 2.561918e-05 ; 4.277196e-01 1.708424e-01 1.554875e-01 7.636964e-02 0.004395 0.015243 True md_ensemble 7 7 21 C_GB1_1 CD1_GB1_3 1 2.793821e-03 7.951508e-06 ; 3.764510e-01 2.454073e-01 9.864250e-01 1.141835e-01 0.004395 0.015243 True md_ensemble 7 7 22 C_GB1_1 CD2_GB1_3 1 2.793821e-03 7.951508e-06 ; 3.764510e-01 2.454073e-01 9.864250e-01 1.141835e-01 0.004395 0.015243 True md_ensemble 7 7 23 @@ -1637,47 +1637,47 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 C_GB1_1 CE2_GB1_3 1 2.987383e-03 8.858461e-06 ; 3.790338e-01 2.518626e-01 7.975306e-01 8.146040e-02 0.004395 0.015243 True md_ensemble 7 7 25 C_GB1_1 CZ_GB1_3 1 3.108064e-03 1.536719e-05 ; 4.127471e-01 1.571540e-01 7.463971e-02 4.779952e-02 0.004395 0.015243 True md_ensemble 7 7 26 C_GB1_1 C_GB1_3 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 0.000000e+00 1.557422e-01 0.004395 0.001132 True md_ensemble 6 7 28 - C_GB1_1 CB_GB1_4 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 33 - C_GB1_1 CG_GB1_4 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 34 - C_GB1_1 CD_GB1_4 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 35 - C_GB1_1 CE_GB1_4 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 36 - C_GB1_1 CB_GB1_5 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 43 - C_GB1_1 CG_GB1_5 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 44 - C_GB1_1 CD1_GB1_5 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 45 - C_GB1_1 CD2_GB1_5 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 46 - C_GB1_1 CB_GB1_6 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 52 - C_GB1_1 CG1_GB1_6 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 53 - C_GB1_1 CG2_GB1_6 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 54 - C_GB1_1 CD_GB1_6 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 55 - C_GB1_1 CB_GB1_7 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 61 - C_GB1_1 CG_GB1_7 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 62 - C_GB1_1 CD1_GB1_7 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 63 - C_GB1_1 CD2_GB1_7 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 64 - C_GB1_1 CB_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 70 - C_GB1_1 CA_GB1_9 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 78 - C_GB1_1 CB_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 84 - C_GB1_1 CG_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 85 - C_GB1_1 CD_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 86 - C_GB1_1 CE_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 87 - C_GB1_1 CB_GB1_11 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 94 - C_GB1_1 CG2_GB1_11 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 96 - C_GB1_1 CB_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 102 - C_GB1_1 CG_GB1_12 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 103 - C_GB1_1 CD1_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 104 - C_GB1_1 CD2_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 105 - C_GB1_1 CB_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 111 - C_GB1_1 CG_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 112 - C_GB1_1 CD_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 113 - C_GB1_1 CE_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 114 - C_GB1_1 CA_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 120 - C_GB1_1 CB_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 126 - C_GB1_1 CG_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 127 - C_GB1_1 CB_GB1_16 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 136 - C_GB1_1 CG2_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 138 - C_GB1_1 CB_GB1_17 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 144 - C_GB1_1 CG2_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 146 - C_GB1_1 CB_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 152 - C_GB1_1 CG2_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 154 + C_GB1_1 CB_GB1_4 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 33 + C_GB1_1 CG_GB1_4 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 34 + C_GB1_1 CD_GB1_4 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 35 + C_GB1_1 CE_GB1_4 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 36 + C_GB1_1 CB_GB1_5 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 43 + C_GB1_1 CG_GB1_5 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 44 + C_GB1_1 CD1_GB1_5 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 45 + C_GB1_1 CD2_GB1_5 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 46 + C_GB1_1 CB_GB1_6 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 52 + C_GB1_1 CG1_GB1_6 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 53 + C_GB1_1 CG2_GB1_6 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 54 + C_GB1_1 CD_GB1_6 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 55 + C_GB1_1 CB_GB1_7 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 61 + C_GB1_1 CG_GB1_7 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 62 + C_GB1_1 CD1_GB1_7 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 63 + C_GB1_1 CD2_GB1_7 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 64 + C_GB1_1 CB_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 70 + C_GB1_1 CA_GB1_9 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 78 + C_GB1_1 CB_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 84 + C_GB1_1 CG_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 85 + C_GB1_1 CD_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 86 + C_GB1_1 CE_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 87 + C_GB1_1 CB_GB1_11 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 94 + C_GB1_1 CG2_GB1_11 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 96 + C_GB1_1 CB_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 102 + C_GB1_1 CG_GB1_12 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 103 + C_GB1_1 CD1_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 104 + C_GB1_1 CD2_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 105 + C_GB1_1 CB_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 111 + C_GB1_1 CG_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 112 + C_GB1_1 CD_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 113 + C_GB1_1 CE_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 114 + C_GB1_1 CA_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 120 + C_GB1_1 CB_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 126 + C_GB1_1 CG_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 127 + C_GB1_1 CB_GB1_16 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 136 + C_GB1_1 CG2_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 138 + C_GB1_1 CB_GB1_17 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 144 + C_GB1_1 CG2_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 146 + C_GB1_1 CB_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 152 + C_GB1_1 CG2_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 154 C_GB1_1 C_GB1_18 1 3.093870e-03 2.147641e-05 ; 4.367604e-01 1.114250e-01 9.810275e-03 0.000000e+00 0.004395 0.011584 True md_ensemble 7 7 155 C_GB1_1 O_GB1_18 1 3.847753e-03 1.214439e-05 ; 3.829965e-01 3.047745e-01 4.161912e-01 0.000000e+00 0.004395 0.011584 True md_ensemble 7 7 156 C_GB1_1 CA_GB1_19 1 5.208577e-03 1.937852e-05 ; 3.936409e-01 3.499916e-01 9.998378e-01 1.998667e-04 0.004395 0.008482 True md_ensemble 7 7 159 @@ -1689,83 +1689,83 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 C_GB1_1 C_GB1_19 1 7.582933e-03 4.350408e-05 ; 4.231056e-01 3.304338e-01 6.843718e-01 1.000374e-04 0.004395 0.011584 True md_ensemble 7 7 165 C_GB1_1 N_GB1_20 1 3.343194e-03 7.993977e-06 ; 3.656792e-01 3.495426e-01 9.911736e-01 0.000000e+00 0.004395 0.011584 True md_ensemble 7 7 167 C_GB1_1 CA_GB1_20 1 1.179909e-02 9.956691e-05 ; 4.512090e-01 3.495600e-01 9.915085e-01 3.014731e-04 0.004395 0.008482 True md_ensemble 7 7 169 - C_GB1_1 CB_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 170 + C_GB1_1 CB_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 170 C_GB1_1 C_GB1_20 1 7.023584e-03 3.579751e-05 ; 4.148416e-01 3.445123e-01 8.990931e-01 1.914784e-05 0.004395 0.011584 True md_ensemble 7 7 171 C_GB1_1 O_GB1_20 1 1.439138e-03 1.480277e-06 ; 3.177168e-01 3.497854e-01 9.958481e-01 9.987913e-05 0.004395 0.011584 True md_ensemble 7 7 172 C_GB1_1 CA_GB1_21 1 5.370293e-03 8.092051e-05 ; 4.969852e-01 8.909993e-02 6.364287e-03 9.992259e-05 0.004395 0.008482 True md_ensemble 7 7 175 - C_GB1_1 CB_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 176 - C_GB1_1 CG1_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 177 - C_GB1_1 CG2_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 178 - C_GB1_1 CB_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 184 - C_GB1_1 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 193 - C_GB1_1 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 199 - C_GB1_1 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 205 - C_GB1_1 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 207 - C_GB1_1 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 213 - C_GB1_1 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 219 - C_GB1_1 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 220 - C_GB1_1 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 229 - C_GB1_1 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 230 - C_GB1_1 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 231 - C_GB1_1 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 232 - C_GB1_1 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 239 - C_GB1_1 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 240 - C_GB1_1 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 241 - C_GB1_1 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 247 - C_GB1_1 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 259 - C_GB1_1 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 260 - C_GB1_1 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 261 - C_GB1_1 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 262 - C_GB1_1 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 269 - C_GB1_1 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 270 - C_GB1_1 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 279 - C_GB1_1 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 292 - C_GB1_1 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 298 - C_GB1_1 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 307 - C_GB1_1 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 316 - C_GB1_1 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 324 - C_GB1_1 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 330 - C_GB1_1 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 331 - C_GB1_1 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 332 - C_GB1_1 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 338 - C_GB1_1 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 346 - C_GB1_1 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 352 - C_GB1_1 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 353 - C_GB1_1 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 362 - C_GB1_1 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 377 - C_GB1_1 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 379 - C_GB1_1 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 385 - C_GB1_1 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 398 - C_GB1_1 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 407 - C_GB1_1 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 416 - C_GB1_1 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 422 - C_GB1_1 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 424 - C_GB1_1 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 430 - C_GB1_1 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 431 + C_GB1_1 CB_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 176 + C_GB1_1 CG1_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 177 + C_GB1_1 CG2_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 178 + C_GB1_1 CB_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 184 + C_GB1_1 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 193 + C_GB1_1 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 199 + C_GB1_1 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 205 + C_GB1_1 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 207 + C_GB1_1 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 213 + C_GB1_1 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 219 + C_GB1_1 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 220 + C_GB1_1 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 229 + C_GB1_1 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 230 + C_GB1_1 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 231 + C_GB1_1 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 232 + C_GB1_1 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 239 + C_GB1_1 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 240 + C_GB1_1 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 241 + C_GB1_1 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 247 + C_GB1_1 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 259 + C_GB1_1 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 260 + C_GB1_1 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 261 + C_GB1_1 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 262 + C_GB1_1 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 269 + C_GB1_1 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 270 + C_GB1_1 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 279 + C_GB1_1 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 292 + C_GB1_1 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 298 + C_GB1_1 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 307 + C_GB1_1 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 316 + C_GB1_1 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 324 + C_GB1_1 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 330 + C_GB1_1 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 331 + C_GB1_1 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 332 + C_GB1_1 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 338 + C_GB1_1 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 346 + C_GB1_1 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 352 + C_GB1_1 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 353 + C_GB1_1 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 362 + C_GB1_1 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 377 + C_GB1_1 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 379 + C_GB1_1 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 385 + C_GB1_1 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 398 + C_GB1_1 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 407 + C_GB1_1 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 416 + C_GB1_1 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 422 + C_GB1_1 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 424 + C_GB1_1 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 430 + C_GB1_1 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 431 C_GB1_1 CD_GB1_50 1 4.986781e-03 4.244934e-05 ; 4.518647e-01 1.464568e-01 1.934545e-02 0.000000e+00 0.004395 0.001132 True md_ensemble 7 7 432 C_GB1_1 CE_GB1_50 1 3.607917e-03 2.783322e-05 ; 4.445130e-01 1.169202e-01 1.091290e-02 0.000000e+00 0.004395 0.001132 True md_ensemble 7 7 433 - C_GB1_1 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 440 - C_GB1_1 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 442 - C_GB1_1 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 448 - C_GB1_1 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 460 - C_GB1_1 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 462 - C_GB1_1 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 468 - C_GB1_1 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 469 - C_GB1_1 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 470 - C_GB1_1 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 476 - C_GB1_1 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 478 - C_GB1_1 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 484 - C_GB1_1 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 485 + C_GB1_1 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 440 + C_GB1_1 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 442 + C_GB1_1 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 448 + C_GB1_1 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 460 + C_GB1_1 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 462 + C_GB1_1 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 468 + C_GB1_1 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 469 + C_GB1_1 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 470 + C_GB1_1 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 476 + C_GB1_1 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 478 + C_GB1_1 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 484 + C_GB1_1 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 7 485 O_GB1_1 O_GB1_1 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 8 8 O_GB1_1 H_GB1_2 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 8 10 - O_GB1_1 CB_GB1_2 1 0.000000e+00 4.153525e-06 ; 3.172218e-01 -4.153525e-06 9.999927e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 8 12 - O_GB1_1 OG1_GB1_2 1 0.000000e+00 3.845473e-07 ; 2.601602e-01 -3.845473e-07 9.817762e-02 1.563528e-01 0.004395 0.001132 True md_ensemble 5 8 13 - O_GB1_1 CG2_GB1_2 1 0.000000e+00 2.180795e-06 ; 3.006396e-01 -2.180795e-06 5.238846e-02 5.023935e-01 0.004395 0.001132 True md_ensemble 5 8 14 - O_GB1_1 C_GB1_2 1 0.000000e+00 8.217247e-07 ; 2.771547e-01 -8.217247e-07 1.000000e+00 9.936898e-01 0.004395 0.001132 True md_ensemble 4 8 15 + O_GB1_1 CB_GB1_2 1 0.000000e+00 4.153558e-06 ; 3.172220e-01 -4.153558e-06 9.999927e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 8 12 + O_GB1_1 OG1_GB1_2 1 0.000000e+00 3.845463e-07 ; 2.601601e-01 -3.845463e-07 9.817762e-02 1.563528e-01 0.004395 0.001132 True md_ensemble 5 8 13 + O_GB1_1 CG2_GB1_2 1 0.000000e+00 2.180796e-06 ; 3.006396e-01 -2.180796e-06 5.238846e-02 5.023935e-01 0.004395 0.001132 True md_ensemble 5 8 14 + O_GB1_1 C_GB1_2 1 0.000000e+00 8.217209e-07 ; 2.771546e-01 -8.217209e-07 1.000000e+00 9.936898e-01 0.004395 0.001132 True md_ensemble 4 8 15 O_GB1_1 O_GB1_2 1 0.000000e+00 1.180464e-06 ; 2.856490e-01 -1.180464e-06 9.850612e-01 7.720374e-01 0.004395 0.001132 True md_ensemble 5 8 16 O_GB1_1 N_GB1_3 1 0.000000e+00 1.315373e-06 ; 2.882366e-01 -1.315373e-06 9.998776e-01 8.767931e-01 0.004395 0.001132 True md_ensemble 5 8 17 - O_GB1_1 H_GB1_3 1 0.000000e+00 8.905951e-09 ; 1.900940e-01 -8.905951e-09 5.795652e-01 1.535428e-01 0.004395 0.001132 True md_ensemble 6 8 18 - O_GB1_1 CA_GB1_3 1 0.000000e+00 2.334221e-06 ; 3.023478e-01 -2.334221e-06 9.421229e-01 5.041125e-01 0.004395 0.001132 True md_ensemble 6 8 19 + O_GB1_1 H_GB1_3 1 0.000000e+00 8.906092e-09 ; 1.900942e-01 -8.906092e-09 5.795652e-01 1.535428e-01 0.004395 0.001132 True md_ensemble 6 8 18 + O_GB1_1 CA_GB1_3 1 0.000000e+00 2.334239e-06 ; 3.023480e-01 -2.334239e-06 9.421229e-01 5.041125e-01 0.004395 0.001132 True md_ensemble 6 8 19 O_GB1_1 CB_GB1_3 1 3.178774e-03 1.553530e-05 ; 4.119489e-01 1.626071e-01 3.505706e-01 1.041718e-01 0.004395 0.007862 True md_ensemble 7 8 20 O_GB1_1 CG_GB1_3 1 2.344014e-03 6.836202e-06 ; 3.779861e-01 2.009304e-01 3.648191e-01 1.000072e-01 0.004395 0.015244 True md_ensemble 7 8 21 O_GB1_1 CD1_GB1_3 1 6.957641e-04 4.876636e-07 ; 2.980413e-01 2.481668e-01 9.890814e-01 1.085302e-01 0.004395 0.015244 True md_ensemble 7 8 22 @@ -2022,10 +2022,10 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 O_GB1_1 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 8 488 O_GB1_1 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 8 490 O_GB1_1 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 8 491 - N_GB1_2 CB_GB1_2 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 12 - N_GB1_2 CG2_GB1_2 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 14 - N_GB1_2 CA_GB1_3 1 0.000000e+00 7.574642e-06 ; 3.335097e-01 -7.574642e-06 1.000000e+00 9.999534e-01 0.004395 0.001132 True md_ensemble 4 9 19 - N_GB1_2 CB_GB1_3 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 20 + N_GB1_2 CB_GB1_2 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 12 + N_GB1_2 CG2_GB1_2 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 14 + N_GB1_2 CA_GB1_3 1 0.000000e+00 7.574630e-06 ; 3.335097e-01 -7.574630e-06 1.000000e+00 9.999534e-01 0.004395 0.001132 True md_ensemble 4 9 19 + N_GB1_2 CB_GB1_3 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 20 N_GB1_2 CG_GB1_3 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 3.804100e-03 6.204815e-02 0.004395 0.001132 True md_ensemble 6 9 21 N_GB1_2 CD1_GB1_3 1 2.994268e-03 1.257442e-05 ; 4.016670e-01 1.782517e-01 2.342981e-01 9.968447e-02 0.004395 0.015244 True md_ensemble 7 9 22 N_GB1_2 CD2_GB1_3 1 2.994268e-03 1.257442e-05 ; 4.016670e-01 1.782517e-01 2.342981e-01 9.968447e-02 0.004395 0.015244 True md_ensemble 7 9 23 @@ -2034,64 +2034,64 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 N_GB1_2 C_GB1_3 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 0.000000e+00 9.763675e-02 0.004395 0.001132 True md_ensemble 5 9 28 N_GB1_2 O_GB1_3 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 0.000000e+00 1.784859e-01 0.004395 0.001132 True md_ensemble 6 9 29 N_GB1_2 N_GB1_4 1 0.000000e+00 8.752940e-07 ; 2.786171e-01 -8.752940e-07 0.000000e+00 3.971399e-02 0.004395 0.001132 True md_ensemble 6 9 30 - N_GB1_2 CB_GB1_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 33 - N_GB1_2 CG_GB1_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 34 - N_GB1_2 CD_GB1_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 35 - N_GB1_2 CE_GB1_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 36 + N_GB1_2 CB_GB1_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 33 + N_GB1_2 CG_GB1_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 34 + N_GB1_2 CD_GB1_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 35 + N_GB1_2 CE_GB1_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 36 N_GB1_2 NZ_GB1_4 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.336908e-03 0.004395 0.001132 True md_ensemble 7 9 37 N_GB1_2 N_GB1_5 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 2.373961e-04 0.004395 0.001132 True md_ensemble 7 9 40 - N_GB1_2 CB_GB1_5 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 43 - N_GB1_2 CG_GB1_5 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 44 - N_GB1_2 CD1_GB1_5 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 45 - N_GB1_2 CD2_GB1_5 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 46 + N_GB1_2 CB_GB1_5 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 43 + N_GB1_2 CG_GB1_5 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 44 + N_GB1_2 CD1_GB1_5 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 45 + N_GB1_2 CD2_GB1_5 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 46 N_GB1_2 N_GB1_6 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 9 49 - N_GB1_2 CB_GB1_6 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 52 - N_GB1_2 CG1_GB1_6 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 53 - N_GB1_2 CG2_GB1_6 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 54 - N_GB1_2 CD_GB1_6 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 55 + N_GB1_2 CB_GB1_6 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 52 + N_GB1_2 CG1_GB1_6 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 53 + N_GB1_2 CG2_GB1_6 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 54 + N_GB1_2 CD_GB1_6 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 55 N_GB1_2 N_GB1_7 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 9 58 - N_GB1_2 CB_GB1_7 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 61 - N_GB1_2 CG_GB1_7 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 62 - N_GB1_2 CD1_GB1_7 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 63 - N_GB1_2 CD2_GB1_7 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 64 + N_GB1_2 CB_GB1_7 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 61 + N_GB1_2 CG_GB1_7 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 62 + N_GB1_2 CD1_GB1_7 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 63 + N_GB1_2 CD2_GB1_7 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 64 N_GB1_2 N_GB1_8 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 9 67 - N_GB1_2 CB_GB1_8 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 70 + N_GB1_2 CB_GB1_8 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 70 N_GB1_2 N_GB1_9 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 9 76 - N_GB1_2 CA_GB1_9 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 78 + N_GB1_2 CA_GB1_9 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 78 N_GB1_2 N_GB1_10 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 9 81 - N_GB1_2 CB_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 84 - N_GB1_2 CG_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 85 - N_GB1_2 CD_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 86 - N_GB1_2 CE_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 87 + N_GB1_2 CB_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 84 + N_GB1_2 CG_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 85 + N_GB1_2 CD_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 86 + N_GB1_2 CE_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 87 N_GB1_2 NZ_GB1_10 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.762847e-05 0.004395 0.001132 True md_ensemble 7 9 88 N_GB1_2 N_GB1_11 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.370373e-06 0.004395 0.001132 True md_ensemble 7 9 91 - N_GB1_2 CB_GB1_11 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 94 - N_GB1_2 CG2_GB1_11 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 96 + N_GB1_2 CB_GB1_11 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 94 + N_GB1_2 CG2_GB1_11 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 96 N_GB1_2 N_GB1_12 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 9 99 - N_GB1_2 CB_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 102 - N_GB1_2 CG_GB1_12 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 103 - N_GB1_2 CD1_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 104 - N_GB1_2 CD2_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 105 + N_GB1_2 CB_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 102 + N_GB1_2 CG_GB1_12 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 103 + N_GB1_2 CD1_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 104 + N_GB1_2 CD2_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 105 N_GB1_2 N_GB1_13 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 9 108 - N_GB1_2 CB_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 111 - N_GB1_2 CG_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 112 - N_GB1_2 CD_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 113 - N_GB1_2 CE_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 114 + N_GB1_2 CB_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 111 + N_GB1_2 CG_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 112 + N_GB1_2 CD_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 113 + N_GB1_2 CE_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 114 N_GB1_2 NZ_GB1_13 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 2.998786e-04 0.004395 0.001132 True md_ensemble 7 9 115 N_GB1_2 N_GB1_14 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 9 118 - N_GB1_2 CA_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 120 + N_GB1_2 CA_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 120 N_GB1_2 N_GB1_15 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.270679e-05 0.004395 0.001132 True md_ensemble 7 9 123 - N_GB1_2 CB_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 126 - N_GB1_2 CG_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 127 + N_GB1_2 CB_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 126 + N_GB1_2 CG_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 127 N_GB1_2 N_GB1_16 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 9 133 - N_GB1_2 CB_GB1_16 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 136 - N_GB1_2 CG2_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 138 + N_GB1_2 CB_GB1_16 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 136 + N_GB1_2 CG2_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 138 N_GB1_2 N_GB1_17 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 9 141 - N_GB1_2 CB_GB1_17 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 144 - N_GB1_2 CG2_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 146 + N_GB1_2 CB_GB1_17 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 144 + N_GB1_2 CG2_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 146 N_GB1_2 N_GB1_18 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 9 149 - N_GB1_2 CB_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 152 - N_GB1_2 CG2_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 154 + N_GB1_2 CB_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 152 + N_GB1_2 CG2_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 154 N_GB1_2 O_GB1_18 1 5.091113e-03 1.945257e-05 ; 3.953915e-01 3.331106e-01 7.208181e-01 1.000524e-04 0.004395 0.011584 True md_ensemble 7 9 156 N_GB1_2 N_GB1_19 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 3.335500e-05 0.000000e+00 0.004395 0.001132 True md_ensemble 7 9 157 N_GB1_2 CA_GB1_19 1 9.376419e-03 6.340194e-05 ; 4.348548e-01 3.466662e-01 9.374234e-01 1.328943e-04 0.004395 0.008482 True md_ensemble 7 9 159 @@ -2101,113 +2101,113 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 N_GB1_2 OE1_GB1_19 1 1.535143e-03 1.861219e-06 ; 3.265438e-01 3.165486e-01 5.228860e-01 6.778938e-04 0.004395 0.011584 True md_ensemble 7 9 163 N_GB1_2 OE2_GB1_19 1 1.535143e-03 1.861219e-06 ; 3.265438e-01 3.165486e-01 5.228860e-01 6.778938e-04 0.004395 0.011584 True md_ensemble 7 9 164 N_GB1_2 N_GB1_20 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 3.169450e-04 0.000000e+00 0.004395 0.001132 True md_ensemble 7 9 167 - N_GB1_2 CB_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 170 + N_GB1_2 CB_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 170 N_GB1_2 O_GB1_20 1 4.533638e-03 2.175619e-05 ; 4.106981e-01 2.361842e-01 1.101289e-01 2.068351e-05 0.004395 0.011584 True md_ensemble 7 9 172 N_GB1_2 N_GB1_21 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 9 173 - N_GB1_2 CB_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 176 - N_GB1_2 CG1_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 177 - N_GB1_2 CG2_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 178 + N_GB1_2 CB_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 176 + N_GB1_2 CG1_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 177 + N_GB1_2 CG2_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 178 N_GB1_2 N_GB1_22 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 9 181 - N_GB1_2 CB_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 184 + N_GB1_2 CB_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 184 N_GB1_2 N_GB1_23 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 9 190 - N_GB1_2 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 193 + N_GB1_2 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 193 N_GB1_2 N_GB1_24 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 9 196 - N_GB1_2 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 199 + N_GB1_2 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 199 N_GB1_2 N_GB1_25 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 9 202 - N_GB1_2 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 205 - N_GB1_2 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 207 + N_GB1_2 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 205 + N_GB1_2 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 207 N_GB1_2 N_GB1_26 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 9 210 - N_GB1_2 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 213 + N_GB1_2 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 213 N_GB1_2 N_GB1_27 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 9 216 - N_GB1_2 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 219 - N_GB1_2 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 220 + N_GB1_2 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 219 + N_GB1_2 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 220 N_GB1_2 N_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 9 226 - N_GB1_2 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 229 - N_GB1_2 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 230 - N_GB1_2 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 231 - N_GB1_2 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 232 + N_GB1_2 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 229 + N_GB1_2 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 230 + N_GB1_2 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 231 + N_GB1_2 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 232 N_GB1_2 NZ_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.196863e-04 0.004395 0.001132 True md_ensemble 7 9 233 N_GB1_2 N_GB1_29 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 9 236 - N_GB1_2 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 239 - N_GB1_2 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 240 - N_GB1_2 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 241 + N_GB1_2 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 239 + N_GB1_2 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 240 + N_GB1_2 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 241 N_GB1_2 N_GB1_30 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 9 244 - N_GB1_2 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 247 + N_GB1_2 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 247 N_GB1_2 N_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 9 256 - N_GB1_2 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 259 - N_GB1_2 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 260 - N_GB1_2 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 261 - N_GB1_2 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 262 + N_GB1_2 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 259 + N_GB1_2 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 260 + N_GB1_2 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 261 + N_GB1_2 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 262 N_GB1_2 NZ_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 2.649673e-05 0.004395 0.001132 True md_ensemble 7 9 263 N_GB1_2 N_GB1_32 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 9 266 - N_GB1_2 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 269 - N_GB1_2 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 270 + N_GB1_2 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 269 + N_GB1_2 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 270 N_GB1_2 N_GB1_33 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 9 276 - N_GB1_2 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 279 + N_GB1_2 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 279 N_GB1_2 N_GB1_34 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 9 289 - N_GB1_2 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 292 + N_GB1_2 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 292 N_GB1_2 N_GB1_35 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 9 295 - N_GB1_2 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 298 + N_GB1_2 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 298 N_GB1_2 N_GB1_36 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 9 304 - N_GB1_2 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 307 + N_GB1_2 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 307 N_GB1_2 N_GB1_37 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 9 313 - N_GB1_2 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 316 + N_GB1_2 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 316 N_GB1_2 N_GB1_38 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.246172e-05 0.004395 0.001132 True md_ensemble 7 9 322 - N_GB1_2 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 324 + N_GB1_2 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 324 N_GB1_2 N_GB1_39 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 9 327 - N_GB1_2 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 330 - N_GB1_2 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 331 - N_GB1_2 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 332 + N_GB1_2 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 330 + N_GB1_2 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 331 + N_GB1_2 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 332 N_GB1_2 N_GB1_40 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 9 335 - N_GB1_2 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 338 + N_GB1_2 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 338 N_GB1_2 N_GB1_41 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 9 344 - N_GB1_2 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 346 + N_GB1_2 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 346 N_GB1_2 N_GB1_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 9 349 - N_GB1_2 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 352 - N_GB1_2 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 353 + N_GB1_2 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 352 + N_GB1_2 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 353 N_GB1_2 N_GB1_43 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 9 359 - N_GB1_2 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 362 + N_GB1_2 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 362 N_GB1_2 N_GB1_44 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 9 374 - N_GB1_2 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 377 - N_GB1_2 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 379 + N_GB1_2 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 377 + N_GB1_2 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 379 N_GB1_2 N_GB1_45 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 9 382 - N_GB1_2 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 385 + N_GB1_2 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 385 N_GB1_2 N_GB1_46 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 9 395 - N_GB1_2 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 398 + N_GB1_2 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 398 N_GB1_2 N_GB1_47 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 9 404 - N_GB1_2 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 407 + N_GB1_2 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 407 N_GB1_2 N_GB1_48 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 9 413 - N_GB1_2 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 416 + N_GB1_2 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 416 N_GB1_2 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 9 419 - N_GB1_2 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 422 - N_GB1_2 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 424 + N_GB1_2 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 422 + N_GB1_2 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 424 N_GB1_2 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 9 427 - N_GB1_2 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 430 - N_GB1_2 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 431 + N_GB1_2 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 430 + N_GB1_2 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 431 N_GB1_2 CD_GB1_50 1 3.464796e-03 1.850362e-05 ; 4.180836e-01 1.621955e-01 2.624619e-02 3.623054e-05 0.004395 0.001132 True md_ensemble 7 9 432 N_GB1_2 CE_GB1_50 1 1.929489e-03 7.011282e-06 ; 3.920961e-01 1.327477e-01 1.483118e-02 0.000000e+00 0.004395 0.001132 True md_ensemble 7 9 433 N_GB1_2 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 4.309225e-04 9.772470e-05 0.004395 0.001132 True md_ensemble 7 9 434 N_GB1_2 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 9 437 - N_GB1_2 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 440 - N_GB1_2 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 442 + N_GB1_2 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 440 + N_GB1_2 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 442 N_GB1_2 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 9 445 - N_GB1_2 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 448 + N_GB1_2 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 448 N_GB1_2 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 9 457 - N_GB1_2 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 460 - N_GB1_2 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 462 + N_GB1_2 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 460 + N_GB1_2 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 462 N_GB1_2 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 9 465 - N_GB1_2 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 468 - N_GB1_2 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 469 - N_GB1_2 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 470 + N_GB1_2 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 468 + N_GB1_2 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 469 + N_GB1_2 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 470 N_GB1_2 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 9 473 - N_GB1_2 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 476 - N_GB1_2 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 478 + N_GB1_2 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 476 + N_GB1_2 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 478 N_GB1_2 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 9 481 - N_GB1_2 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 484 - N_GB1_2 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 485 + N_GB1_2 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 484 + N_GB1_2 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 9 485 H_GB1_2 H_GB1_2 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 10 10 - H_GB1_2 OG1_GB1_2 1 0.000000e+00 1.694684e-08 ; 2.005637e-01 -1.694684e-08 9.845167e-01 7.754280e-01 0.004395 0.001132 True md_ensemble 4 10 13 - H_GB1_2 O_GB1_2 1 0.000000e+00 1.279299e-08 ; 1.959188e-01 -1.279299e-08 5.234707e-01 3.479632e-01 0.004395 0.001132 True md_ensemble 4 10 16 + H_GB1_2 OG1_GB1_2 1 0.000000e+00 1.694692e-08 ; 2.005638e-01 -1.694692e-08 9.845167e-01 7.754280e-01 0.004395 0.001132 True md_ensemble 4 10 13 + H_GB1_2 O_GB1_2 1 0.000000e+00 1.279319e-08 ; 1.959190e-01 -1.279319e-08 5.234707e-01 3.479632e-01 0.004395 0.001132 True md_ensemble 4 10 16 H_GB1_2 H_GB1_3 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 10 18 H_GB1_2 OH_GB1_3 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 10 27 H_GB1_2 O_GB1_3 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 10 29 @@ -2354,20 +2354,20 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 H_GB1_2 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 10 488 H_GB1_2 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 10 490 H_GB1_2 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 10 491 - CA_GB1_2 CB_GB1_3 1 0.000000e+00 3.181365e-05 ; 3.758773e-01 -3.181365e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 11 20 - CA_GB1_2 CG_GB1_3 1 0.000000e+00 9.893059e-06 ; 3.410143e-01 -9.893059e-06 9.994922e-01 7.574727e-01 0.004395 0.001132 True md_ensemble 5 11 21 - CA_GB1_2 CD1_GB1_3 1 0.000000e+00 6.408079e-06 ; 3.288938e-01 -6.408079e-06 9.992370e-01 4.902074e-01 0.004395 0.001132 True md_ensemble 6 11 22 - CA_GB1_2 CD2_GB1_3 1 0.000000e+00 6.408079e-06 ; 3.288938e-01 -6.408079e-06 9.992370e-01 4.902074e-01 0.004395 0.001132 True md_ensemble 6 11 23 + CA_GB1_2 CB_GB1_3 1 0.000000e+00 3.181352e-05 ; 3.758772e-01 -3.181352e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 11 20 + CA_GB1_2 CG_GB1_3 1 0.000000e+00 9.893008e-06 ; 3.410141e-01 -9.893008e-06 9.994922e-01 7.574727e-01 0.004395 0.001132 True md_ensemble 5 11 21 + CA_GB1_2 CD1_GB1_3 1 0.000000e+00 6.408046e-06 ; 3.288936e-01 -6.408046e-06 9.992370e-01 4.902074e-01 0.004395 0.001132 True md_ensemble 6 11 22 + CA_GB1_2 CD2_GB1_3 1 0.000000e+00 6.408046e-06 ; 3.288936e-01 -6.408046e-06 9.992370e-01 4.902074e-01 0.004395 0.001132 True md_ensemble 6 11 23 CA_GB1_2 CE1_GB1_3 1 6.939285e-03 7.720936e-05 ; 4.724899e-01 1.559191e-01 4.526360e-01 2.095535e-01 0.004395 0.010759 True md_ensemble 7 11 24 CA_GB1_2 CE2_GB1_3 1 6.939285e-03 7.720936e-05 ; 4.724899e-01 1.559191e-01 4.526360e-01 2.095535e-01 0.004395 0.010759 True md_ensemble 7 11 25 - CA_GB1_2 CZ_GB1_3 1 0.000000e+00 1.368300e-05 ; 3.503564e-01 -1.368300e-05 1.142047e-02 5.977652e-02 0.004395 0.010759 True md_ensemble 7 11 26 - CA_GB1_2 C_GB1_3 1 0.000000e+00 1.305178e-05 ; 3.489802e-01 -1.305178e-05 1.000000e+00 9.999934e-01 0.004395 0.001132 True md_ensemble 4 11 28 - CA_GB1_2 O_GB1_3 1 0.000000e+00 2.390031e-06 ; 3.029437e-01 -2.390031e-06 9.986957e-01 5.741223e-01 0.004395 0.001132 True md_ensemble 5 11 29 - CA_GB1_2 N_GB1_4 1 0.000000e+00 9.880305e-06 ; 3.409776e-01 -9.880305e-06 1.952451e-01 4.995767e-01 0.004395 0.001132 True md_ensemble 5 11 30 - CA_GB1_2 CA_GB1_4 1 0.000000e+00 7.464818e-05 ; 4.035648e-01 -7.464818e-05 3.475542e-01 4.862521e-01 0.004395 0.001132 True md_ensemble 6 11 32 - CA_GB1_2 CG_GB1_4 1 0.000000e+00 3.594073e-05 ; 3.797175e-01 -3.594073e-05 2.282531e-02 1.525518e-01 0.004395 0.007117 True md_ensemble 7 11 34 - CA_GB1_2 CD_GB1_4 1 0.000000e+00 3.321929e-05 ; 3.772340e-01 -3.321929e-05 6.416485e-03 5.059986e-02 0.004395 0.007117 True md_ensemble 7 11 35 - CA_GB1_2 CE_GB1_4 1 0.000000e+00 3.303105e-05 ; 3.770554e-01 -3.303105e-05 7.800515e-03 4.606688e-02 0.004395 0.007117 True md_ensemble 7 11 36 + CA_GB1_2 CZ_GB1_3 1 0.000000e+00 1.368293e-05 ; 3.503563e-01 -1.368293e-05 1.142047e-02 5.977652e-02 0.004395 0.010759 True md_ensemble 7 11 26 + CA_GB1_2 C_GB1_3 1 0.000000e+00 1.305171e-05 ; 3.489801e-01 -1.305171e-05 1.000000e+00 9.999934e-01 0.004395 0.001132 True md_ensemble 4 11 28 + CA_GB1_2 O_GB1_3 1 0.000000e+00 2.390050e-06 ; 3.029439e-01 -2.390050e-06 9.986957e-01 5.741223e-01 0.004395 0.001132 True md_ensemble 5 11 29 + CA_GB1_2 N_GB1_4 1 0.000000e+00 9.880290e-06 ; 3.409776e-01 -9.880290e-06 1.952451e-01 4.995767e-01 0.004395 0.001132 True md_ensemble 5 11 30 + CA_GB1_2 CA_GB1_4 1 0.000000e+00 7.464873e-05 ; 4.035650e-01 -7.464873e-05 3.475542e-01 4.862521e-01 0.004395 0.001132 True md_ensemble 6 11 32 + CA_GB1_2 CG_GB1_4 1 0.000000e+00 3.594057e-05 ; 3.797173e-01 -3.594057e-05 2.282531e-02 1.525518e-01 0.004395 0.007117 True md_ensemble 7 11 34 + CA_GB1_2 CD_GB1_4 1 0.000000e+00 3.321915e-05 ; 3.772339e-01 -3.321915e-05 6.416485e-03 5.059986e-02 0.004395 0.007117 True md_ensemble 7 11 35 + CA_GB1_2 CE_GB1_4 1 0.000000e+00 3.303091e-05 ; 3.770553e-01 -3.303091e-05 7.800515e-03 4.606688e-02 0.004395 0.007117 True md_ensemble 7 11 36 CA_GB1_2 CA_GB1_17 1 3.795698e-02 1.247995e-03 ; 5.660049e-01 2.886095e-01 3.042401e-01 7.416357e-04 0.004395 0.006476 True md_ensemble 7 11 143 CA_GB1_2 CB_GB1_17 1 2.731650e-02 5.412794e-04 ; 5.201949e-01 3.446424e-01 9.013633e-01 2.055004e-03 0.004395 0.006476 True md_ensemble 7 11 144 CA_GB1_2 OG1_GB1_17 1 3.690468e-03 1.972393e-05 ; 4.181371e-01 1.726273e-01 3.212778e-02 1.218767e-03 0.004395 0.008483 True md_ensemble 7 11 145 @@ -2392,74 +2392,74 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CA_GB1_2 CG_GB1_50 1 2.113938e-02 4.419187e-04 ; 5.248578e-01 2.528030e-01 1.519840e-01 3.001638e-04 0.004395 0.007117 True md_ensemble 7 11 431 CA_GB1_2 CD_GB1_50 1 9.955345e-03 1.229609e-04 ; 4.807860e-01 2.015049e-01 5.623051e-02 3.823035e-04 0.004395 0.007117 True md_ensemble 7 11 432 CA_GB1_2 CE_GB1_50 1 5.979321e-03 5.653111e-05 ; 4.598392e-01 1.581088e-01 2.424739e-02 3.295921e-04 0.004395 0.007117 True md_ensemble 7 11 433 - CB_GB1_2 OG1_GB1_2 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 13 - CB_GB1_2 C_GB1_2 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 15 + CB_GB1_2 OG1_GB1_2 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 13 + CB_GB1_2 C_GB1_2 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 15 CB_GB1_2 O_GB1_2 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 16 - CB_GB1_2 N_GB1_3 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 17 - CB_GB1_2 CA_GB1_3 1 0.000000e+00 6.555574e-05 ; 3.992202e-01 -6.555574e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 12 19 - CB_GB1_2 CB_GB1_3 1 0.000000e+00 3.261082e-05 ; 3.766533e-01 -3.261082e-05 9.072008e-01 9.322582e-01 0.004395 0.001132 True md_ensemble 5 12 20 + CB_GB1_2 N_GB1_3 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 17 + CB_GB1_2 CA_GB1_3 1 0.000000e+00 6.555622e-05 ; 3.992205e-01 -6.555622e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 12 19 + CB_GB1_2 CB_GB1_3 1 0.000000e+00 3.261068e-05 ; 3.766532e-01 -3.261068e-05 9.072008e-01 9.322582e-01 0.004395 0.001132 True md_ensemble 5 12 20 CB_GB1_2 CG_GB1_3 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 6.422575e-04 2.808744e-01 0.004395 0.001132 True md_ensemble 6 12 21 - CB_GB1_2 CD1_GB1_3 1 0.000000e+00 1.590283e-05 ; 3.547735e-01 -1.590283e-05 9.566815e-03 2.280003e-01 0.004395 0.010759 True md_ensemble 7 12 22 - CB_GB1_2 CD2_GB1_3 1 0.000000e+00 1.590283e-05 ; 3.547735e-01 -1.590283e-05 9.566815e-03 2.280003e-01 0.004395 0.010759 True md_ensemble 7 12 23 - CB_GB1_2 OH_GB1_3 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 27 - CB_GB1_2 C_GB1_3 1 0.000000e+00 7.941266e-06 ; 3.348260e-01 -7.941266e-06 9.999596e-01 6.083988e-01 0.004395 0.001132 True md_ensemble 5 12 28 + CB_GB1_2 CD1_GB1_3 1 0.000000e+00 1.590275e-05 ; 3.547734e-01 -1.590275e-05 9.566815e-03 2.280003e-01 0.004395 0.010759 True md_ensemble 7 12 22 + CB_GB1_2 CD2_GB1_3 1 0.000000e+00 1.590275e-05 ; 3.547734e-01 -1.590275e-05 9.566815e-03 2.280003e-01 0.004395 0.010759 True md_ensemble 7 12 23 + CB_GB1_2 OH_GB1_3 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 27 + CB_GB1_2 C_GB1_3 1 0.000000e+00 7.941225e-06 ; 3.348258e-01 -7.941225e-06 9.999596e-01 6.083988e-01 0.004395 0.001132 True md_ensemble 5 12 28 CB_GB1_2 O_GB1_3 1 1.431184e-03 7.120024e-06 ; 4.131721e-01 7.191999e-02 9.038214e-01 2.242136e-01 0.004395 0.001132 True md_ensemble 6 12 29 - CB_GB1_2 N_GB1_4 1 0.000000e+00 8.806697e-06 ; 3.377246e-01 -8.806697e-06 2.888661e-02 1.914877e-01 0.004395 0.001132 True md_ensemble 6 12 30 + CB_GB1_2 N_GB1_4 1 0.000000e+00 8.806683e-06 ; 3.377246e-01 -8.806683e-06 2.888661e-02 1.914877e-01 0.004395 0.001132 True md_ensemble 6 12 30 CB_GB1_2 CA_GB1_4 1 1.341853e-02 4.245860e-04 ; 5.623976e-01 1.060190e-01 3.104026e-01 2.275474e-01 0.004395 0.006476 True md_ensemble 7 12 32 - CB_GB1_2 CB_GB1_4 1 0.000000e+00 3.426307e-05 ; 3.782078e-01 -3.426307e-05 5.414859e-02 1.311412e-01 0.004395 0.007117 True md_ensemble 7 12 33 - CB_GB1_2 CG_GB1_4 1 0.000000e+00 3.453536e-05 ; 3.784574e-01 -3.453536e-05 3.940776e-02 1.249593e-01 0.004395 0.007117 True md_ensemble 7 12 34 - CB_GB1_2 CD_GB1_4 1 0.000000e+00 3.358239e-05 ; 3.775759e-01 -3.358239e-05 1.986678e-02 7.546353e-02 0.004395 0.007117 True md_ensemble 7 12 35 - CB_GB1_2 CE_GB1_4 1 0.000000e+00 3.341858e-05 ; 3.774221e-01 -3.341858e-05 1.879560e-02 6.924347e-02 0.004395 0.007117 True md_ensemble 7 12 36 - CB_GB1_2 NZ_GB1_4 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 37 - CB_GB1_2 C_GB1_4 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 38 + CB_GB1_2 CB_GB1_4 1 0.000000e+00 3.426292e-05 ; 3.782077e-01 -3.426292e-05 5.414859e-02 1.311412e-01 0.004395 0.007117 True md_ensemble 7 12 33 + CB_GB1_2 CG_GB1_4 1 0.000000e+00 3.453521e-05 ; 3.784573e-01 -3.453521e-05 3.940776e-02 1.249593e-01 0.004395 0.007117 True md_ensemble 7 12 34 + CB_GB1_2 CD_GB1_4 1 0.000000e+00 3.358225e-05 ; 3.775758e-01 -3.358225e-05 1.986678e-02 7.546353e-02 0.004395 0.007117 True md_ensemble 7 12 35 + CB_GB1_2 CE_GB1_4 1 0.000000e+00 3.341844e-05 ; 3.774220e-01 -3.341844e-05 1.879560e-02 6.924347e-02 0.004395 0.007117 True md_ensemble 7 12 36 + CB_GB1_2 NZ_GB1_4 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 37 + CB_GB1_2 C_GB1_4 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 38 CB_GB1_2 O_GB1_4 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 4.691284e-02 0.004395 0.007862 True md_ensemble 7 12 39 - CB_GB1_2 N_GB1_5 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 40 - CB_GB1_2 C_GB1_5 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 47 + CB_GB1_2 N_GB1_5 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 40 + CB_GB1_2 C_GB1_5 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 47 CB_GB1_2 O_GB1_5 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.011831e-02 0.004395 0.007862 True md_ensemble 7 12 48 - CB_GB1_2 N_GB1_6 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 49 - CB_GB1_2 C_GB1_6 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 56 + CB_GB1_2 N_GB1_6 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 49 + CB_GB1_2 C_GB1_6 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 56 CB_GB1_2 O_GB1_6 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.579038e-03 0.004395 0.007862 True md_ensemble 7 12 57 - CB_GB1_2 N_GB1_7 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 58 - CB_GB1_2 C_GB1_7 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 65 + CB_GB1_2 N_GB1_7 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 58 + CB_GB1_2 C_GB1_7 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 65 CB_GB1_2 O_GB1_7 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.943935e-03 0.004395 0.007862 True md_ensemble 7 12 66 - CB_GB1_2 N_GB1_8 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 67 - CB_GB1_2 CG_GB1_8 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 71 + CB_GB1_2 N_GB1_8 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 67 + CB_GB1_2 CG_GB1_8 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 71 CB_GB1_2 OD1_GB1_8 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 4.677066e-03 0.004395 0.007862 True md_ensemble 7 12 72 - CB_GB1_2 ND2_GB1_8 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 73 - CB_GB1_2 C_GB1_8 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 74 + CB_GB1_2 ND2_GB1_8 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 73 + CB_GB1_2 C_GB1_8 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 74 CB_GB1_2 O_GB1_8 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.098386e-03 0.004395 0.007862 True md_ensemble 7 12 75 - CB_GB1_2 N_GB1_9 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 76 - CB_GB1_2 C_GB1_9 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 79 + CB_GB1_2 N_GB1_9 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 76 + CB_GB1_2 C_GB1_9 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 79 CB_GB1_2 O_GB1_9 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.725842e-03 0.004395 0.007862 True md_ensemble 7 12 80 - CB_GB1_2 N_GB1_10 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 81 - CB_GB1_2 NZ_GB1_10 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 88 - CB_GB1_2 C_GB1_10 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 89 + CB_GB1_2 N_GB1_10 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 81 + CB_GB1_2 NZ_GB1_10 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 88 + CB_GB1_2 C_GB1_10 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 89 CB_GB1_2 O_GB1_10 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 9.280395e-04 0.004395 0.007862 True md_ensemble 7 12 90 - CB_GB1_2 N_GB1_11 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 91 - CB_GB1_2 OG1_GB1_11 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 95 - CB_GB1_2 C_GB1_11 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 97 + CB_GB1_2 N_GB1_11 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 91 + CB_GB1_2 OG1_GB1_11 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 95 + CB_GB1_2 C_GB1_11 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 97 CB_GB1_2 O_GB1_11 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.915444e-04 0.004395 0.007862 True md_ensemble 7 12 98 - CB_GB1_2 N_GB1_12 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 99 - CB_GB1_2 C_GB1_12 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 106 + CB_GB1_2 N_GB1_12 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 99 + CB_GB1_2 C_GB1_12 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 106 CB_GB1_2 O_GB1_12 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 9.864694e-04 0.004395 0.007862 True md_ensemble 7 12 107 - CB_GB1_2 N_GB1_13 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 108 - CB_GB1_2 NZ_GB1_13 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 115 - CB_GB1_2 C_GB1_13 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 116 + CB_GB1_2 N_GB1_13 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 108 + CB_GB1_2 NZ_GB1_13 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 115 + CB_GB1_2 C_GB1_13 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 116 CB_GB1_2 O_GB1_13 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.025179e-03 0.004395 0.007862 True md_ensemble 7 12 117 - CB_GB1_2 N_GB1_14 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 118 - CB_GB1_2 C_GB1_14 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 121 + CB_GB1_2 N_GB1_14 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 118 + CB_GB1_2 C_GB1_14 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 121 CB_GB1_2 O_GB1_14 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 7.168329e-04 0.004395 0.007862 True md_ensemble 7 12 122 - CB_GB1_2 N_GB1_15 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 123 - CB_GB1_2 CD_GB1_15 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 128 - CB_GB1_2 OE1_GB1_15 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 129 - CB_GB1_2 OE2_GB1_15 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 130 - CB_GB1_2 C_GB1_15 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 131 + CB_GB1_2 N_GB1_15 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 123 + CB_GB1_2 CD_GB1_15 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 128 + CB_GB1_2 OE1_GB1_15 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 129 + CB_GB1_2 OE2_GB1_15 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 130 + CB_GB1_2 C_GB1_15 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 131 CB_GB1_2 O_GB1_15 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 4.930638e-04 0.004395 0.007862 True md_ensemble 7 12 132 - CB_GB1_2 N_GB1_16 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 133 - CB_GB1_2 OG1_GB1_16 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 137 - CB_GB1_2 C_GB1_16 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 139 + CB_GB1_2 N_GB1_16 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 133 + CB_GB1_2 OG1_GB1_16 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 137 + CB_GB1_2 C_GB1_16 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 139 CB_GB1_2 O_GB1_16 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 6.191558e-04 0.004395 0.007862 True md_ensemble 7 12 140 - CB_GB1_2 N_GB1_17 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 141 + CB_GB1_2 N_GB1_17 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 141 CB_GB1_2 CA_GB1_17 1 3.738999e-02 1.073141e-03 ; 5.533292e-01 3.256822e-01 6.241560e-01 1.336267e-03 0.004395 0.006476 True md_ensemble 7 12 143 CB_GB1_2 CB_GB1_17 1 1.613412e-02 1.866344e-04 ; 4.755626e-01 3.486896e-01 9.749205e-01 3.159863e-03 0.004395 0.006476 True md_ensemble 7 12 144 CB_GB1_2 OG1_GB1_17 1 1.506046e-03 2.906305e-06 ; 3.528449e-01 1.951080e-01 5.885428e-02 1.340798e-03 0.004395 0.001132 True md_ensemble 7 12 145 @@ -2468,7 +2468,7 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CB_GB1_2 O_GB1_17 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 3.723500e-05 4.765499e-04 0.004395 0.007862 True md_ensemble 7 12 148 CB_GB1_2 N_GB1_18 1 8.482102e-03 8.153299e-05 ; 4.611105e-01 2.206041e-01 8.142330e-02 2.534896e-04 0.004395 0.001132 True md_ensemble 7 12 149 CB_GB1_2 CA_GB1_18 1 3.308002e-02 8.205206e-04 ; 5.400334e-01 3.334126e-01 7.250494e-01 1.657059e-03 0.004395 0.006476 True md_ensemble 7 12 151 - CB_GB1_2 OG1_GB1_18 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 153 + CB_GB1_2 OG1_GB1_18 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 153 CB_GB1_2 C_GB1_18 1 1.232495e-02 1.120765e-04 ; 4.568653e-01 3.388410e-01 8.054964e-01 5.243734e-04 0.004395 0.001132 True md_ensemble 7 12 155 CB_GB1_2 O_GB1_18 1 3.893355e-03 1.091065e-05 ; 3.754808e-01 3.473260e-01 9.494892e-01 4.510347e-04 0.004395 0.007862 True md_ensemble 7 12 156 CB_GB1_2 N_GB1_19 1 8.561980e-03 7.326640e-05 ; 4.522603e-01 2.501402e-01 1.443387e-01 2.998600e-04 0.004395 0.001132 True md_ensemble 7 12 157 @@ -2478,232 +2478,232 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CB_GB1_2 CD_GB1_19 1 8.615164e-03 7.301336e-05 ; 4.515333e-01 2.541352e-01 2.196239e-01 1.593587e-03 0.004395 0.001132 True md_ensemble 7 12 162 CB_GB1_2 OE1_GB1_19 1 1.841317e-03 3.340986e-06 ; 3.492403e-01 2.537010e-01 1.616574e-01 1.182896e-03 0.004395 0.001132 True md_ensemble 7 12 163 CB_GB1_2 OE2_GB1_19 1 1.841317e-03 3.340986e-06 ; 3.492403e-01 2.537010e-01 1.616574e-01 1.182896e-03 0.004395 0.001132 True md_ensemble 7 12 164 - CB_GB1_2 C_GB1_19 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 165 + CB_GB1_2 C_GB1_19 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 165 CB_GB1_2 O_GB1_19 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 4.025222e-04 0.004395 0.007862 True md_ensemble 7 12 166 - CB_GB1_2 N_GB1_20 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 167 - CB_GB1_2 C_GB1_20 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 171 + CB_GB1_2 N_GB1_20 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 167 + CB_GB1_2 C_GB1_20 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 171 CB_GB1_2 O_GB1_20 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.998497e-04 0.004395 0.007862 True md_ensemble 7 12 172 - CB_GB1_2 N_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 173 - CB_GB1_2 C_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 179 + CB_GB1_2 N_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 173 + CB_GB1_2 C_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 179 CB_GB1_2 O_GB1_21 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.463129e-04 0.004395 0.007862 True md_ensemble 7 12 180 - CB_GB1_2 N_GB1_22 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 181 - CB_GB1_2 CG_GB1_22 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 185 - CB_GB1_2 OD1_GB1_22 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 186 - CB_GB1_2 OD2_GB1_22 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 187 - CB_GB1_2 C_GB1_22 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 188 + CB_GB1_2 N_GB1_22 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 181 + CB_GB1_2 CG_GB1_22 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 185 + CB_GB1_2 OD1_GB1_22 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 186 + CB_GB1_2 OD2_GB1_22 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 187 + CB_GB1_2 C_GB1_22 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 188 CB_GB1_2 O_GB1_22 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.015536e-04 0.004395 0.007862 True md_ensemble 7 12 189 - CB_GB1_2 N_GB1_23 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 190 - CB_GB1_2 C_GB1_23 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 194 + CB_GB1_2 N_GB1_23 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 190 + CB_GB1_2 C_GB1_23 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 194 CB_GB1_2 O_GB1_23 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 5.629171e-04 0.004395 0.007862 True md_ensemble 7 12 195 - CB_GB1_2 N_GB1_24 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 196 - CB_GB1_2 C_GB1_24 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 200 + CB_GB1_2 N_GB1_24 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 196 + CB_GB1_2 C_GB1_24 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 200 CB_GB1_2 O_GB1_24 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.529484e-04 0.004395 0.007862 True md_ensemble 7 12 201 - CB_GB1_2 N_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 202 - CB_GB1_2 OG1_GB1_25 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 206 - CB_GB1_2 C_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 208 + CB_GB1_2 N_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 202 + CB_GB1_2 OG1_GB1_25 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 206 + CB_GB1_2 C_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 208 CB_GB1_2 O_GB1_25 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.667220e-04 0.004395 0.007862 True md_ensemble 7 12 209 - CB_GB1_2 N_GB1_26 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 210 - CB_GB1_2 C_GB1_26 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 214 + CB_GB1_2 N_GB1_26 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 210 + CB_GB1_2 C_GB1_26 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 214 CB_GB1_2 O_GB1_26 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.062841e-04 0.004395 0.007862 True md_ensemble 7 12 215 - CB_GB1_2 N_GB1_27 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 216 - CB_GB1_2 CD_GB1_27 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 221 - CB_GB1_2 OE1_GB1_27 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 222 - CB_GB1_2 OE2_GB1_27 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 223 - CB_GB1_2 C_GB1_27 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 224 + CB_GB1_2 N_GB1_27 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 216 + CB_GB1_2 CD_GB1_27 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 221 + CB_GB1_2 OE1_GB1_27 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 222 + CB_GB1_2 OE2_GB1_27 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 223 + CB_GB1_2 C_GB1_27 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 224 CB_GB1_2 O_GB1_27 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 5.113752e-04 0.004395 0.007862 True md_ensemble 7 12 225 - CB_GB1_2 N_GB1_28 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 226 - CB_GB1_2 NZ_GB1_28 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 233 - CB_GB1_2 C_GB1_28 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 234 + CB_GB1_2 N_GB1_28 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 226 + CB_GB1_2 NZ_GB1_28 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 233 + CB_GB1_2 C_GB1_28 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 234 CB_GB1_2 O_GB1_28 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.985478e-04 0.004395 0.007862 True md_ensemble 7 12 235 - CB_GB1_2 N_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 236 - CB_GB1_2 C_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 242 + CB_GB1_2 N_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 236 + CB_GB1_2 C_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 242 CB_GB1_2 O_GB1_29 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.971631e-04 0.004395 0.007862 True md_ensemble 7 12 243 - CB_GB1_2 N_GB1_30 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 244 - CB_GB1_2 C_GB1_30 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 254 + CB_GB1_2 N_GB1_30 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 244 + CB_GB1_2 C_GB1_30 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 254 CB_GB1_2 O_GB1_30 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.657872e-04 0.004395 0.007862 True md_ensemble 7 12 255 - CB_GB1_2 N_GB1_31 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 256 - CB_GB1_2 NZ_GB1_31 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 263 - CB_GB1_2 C_GB1_31 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 264 + CB_GB1_2 N_GB1_31 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 256 + CB_GB1_2 NZ_GB1_31 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 263 + CB_GB1_2 C_GB1_31 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 264 CB_GB1_2 O_GB1_31 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 4.449564e-04 0.004395 0.007862 True md_ensemble 7 12 265 - CB_GB1_2 N_GB1_32 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 266 - CB_GB1_2 CD_GB1_32 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 271 + CB_GB1_2 N_GB1_32 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 266 + CB_GB1_2 CD_GB1_32 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 271 CB_GB1_2 OE1_GB1_32 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 7.619333e-06 0.004395 0.007862 True md_ensemble 7 12 272 - CB_GB1_2 NE2_GB1_32 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 273 - CB_GB1_2 C_GB1_32 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 274 + CB_GB1_2 NE2_GB1_32 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 273 + CB_GB1_2 C_GB1_32 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 274 CB_GB1_2 O_GB1_32 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.000562e-04 0.004395 0.007862 True md_ensemble 7 12 275 - CB_GB1_2 N_GB1_33 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 276 - CB_GB1_2 OH_GB1_33 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 286 - CB_GB1_2 C_GB1_33 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 287 + CB_GB1_2 N_GB1_33 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 276 + CB_GB1_2 OH_GB1_33 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 286 + CB_GB1_2 C_GB1_33 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 287 CB_GB1_2 O_GB1_33 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 7.509403e-05 0.004395 0.007862 True md_ensemble 7 12 288 - CB_GB1_2 N_GB1_34 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 289 - CB_GB1_2 C_GB1_34 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 293 + CB_GB1_2 N_GB1_34 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 289 + CB_GB1_2 C_GB1_34 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 293 CB_GB1_2 O_GB1_34 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.840633e-04 0.004395 0.007862 True md_ensemble 7 12 294 - CB_GB1_2 N_GB1_35 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 295 - CB_GB1_2 CG_GB1_35 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 299 + CB_GB1_2 N_GB1_35 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 295 + CB_GB1_2 CG_GB1_35 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 299 CB_GB1_2 OD1_GB1_35 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.951496e-04 0.004395 0.007862 True md_ensemble 7 12 300 - CB_GB1_2 ND2_GB1_35 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 301 - CB_GB1_2 C_GB1_35 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 302 + CB_GB1_2 ND2_GB1_35 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 301 + CB_GB1_2 C_GB1_35 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 302 CB_GB1_2 O_GB1_35 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 5.017529e-04 0.004395 0.007862 True md_ensemble 7 12 303 - CB_GB1_2 N_GB1_36 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 304 - CB_GB1_2 CG_GB1_36 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 308 - CB_GB1_2 OD1_GB1_36 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 309 - CB_GB1_2 OD2_GB1_36 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 310 - CB_GB1_2 C_GB1_36 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 311 + CB_GB1_2 N_GB1_36 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 304 + CB_GB1_2 CG_GB1_36 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 308 + CB_GB1_2 OD1_GB1_36 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 309 + CB_GB1_2 OD2_GB1_36 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 310 + CB_GB1_2 C_GB1_36 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 311 CB_GB1_2 O_GB1_36 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.314754e-04 0.004395 0.007862 True md_ensemble 7 12 312 - CB_GB1_2 N_GB1_37 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 313 - CB_GB1_2 CG_GB1_37 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 317 + CB_GB1_2 N_GB1_37 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 313 + CB_GB1_2 CG_GB1_37 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 317 CB_GB1_2 OD1_GB1_37 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 5.606359e-04 0.004395 0.007862 True md_ensemble 7 12 318 - CB_GB1_2 ND2_GB1_37 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 319 - CB_GB1_2 C_GB1_37 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 320 + CB_GB1_2 ND2_GB1_37 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 319 + CB_GB1_2 C_GB1_37 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 320 CB_GB1_2 O_GB1_37 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.990849e-04 0.004395 0.007862 True md_ensemble 7 12 321 - CB_GB1_2 N_GB1_38 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 322 - CB_GB1_2 C_GB1_38 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 325 + CB_GB1_2 N_GB1_38 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 322 + CB_GB1_2 C_GB1_38 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 325 CB_GB1_2 O_GB1_38 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.998983e-04 0.004395 0.007862 True md_ensemble 7 12 326 - CB_GB1_2 N_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 327 - CB_GB1_2 C_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 333 + CB_GB1_2 N_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 327 + CB_GB1_2 C_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 333 CB_GB1_2 O_GB1_39 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.999939e-04 0.004395 0.007862 True md_ensemble 7 12 334 - CB_GB1_2 N_GB1_40 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 335 - CB_GB1_2 CG_GB1_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 339 - CB_GB1_2 OD1_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 340 - CB_GB1_2 OD2_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 341 - CB_GB1_2 C_GB1_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 342 + CB_GB1_2 N_GB1_40 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 335 + CB_GB1_2 CG_GB1_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 339 + CB_GB1_2 OD1_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 340 + CB_GB1_2 OD2_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 341 + CB_GB1_2 C_GB1_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 342 CB_GB1_2 O_GB1_40 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.722314e-04 0.004395 0.007862 True md_ensemble 7 12 343 - CB_GB1_2 N_GB1_41 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 344 - CB_GB1_2 C_GB1_41 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 347 + CB_GB1_2 N_GB1_41 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 344 + CB_GB1_2 C_GB1_41 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 347 CB_GB1_2 O_GB1_41 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 4.852236e-04 0.004395 0.007862 True md_ensemble 7 12 348 - CB_GB1_2 N_GB1_42 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 349 - CB_GB1_2 CD_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 354 - CB_GB1_2 OE1_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 355 - CB_GB1_2 OE2_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 356 - CB_GB1_2 C_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 357 + CB_GB1_2 N_GB1_42 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 349 + CB_GB1_2 CD_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 354 + CB_GB1_2 OE1_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 355 + CB_GB1_2 OE2_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 356 + CB_GB1_2 C_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 357 CB_GB1_2 O_GB1_42 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.010426e-04 0.004395 0.007862 True md_ensemble 7 12 358 - CB_GB1_2 N_GB1_43 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 359 - CB_GB1_2 NE1_GB1_43 1 0.000000e+00 9.937288e-06 ; 8.853117e-06 -9.937288e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 366 - CB_GB1_2 C_GB1_43 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 372 + CB_GB1_2 N_GB1_43 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 359 + CB_GB1_2 NE1_GB1_43 1 0.000000e+00 9.937231e-06 ; 8.853066e-06 -9.937231e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 366 + CB_GB1_2 C_GB1_43 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 372 CB_GB1_2 O_GB1_43 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.976059e-04 0.004395 0.007862 True md_ensemble 7 12 373 - CB_GB1_2 N_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 374 - CB_GB1_2 OG1_GB1_44 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 378 - CB_GB1_2 C_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 380 + CB_GB1_2 N_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 374 + CB_GB1_2 OG1_GB1_44 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 378 + CB_GB1_2 C_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 380 CB_GB1_2 O_GB1_44 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.999296e-04 0.004395 0.007862 True md_ensemble 7 12 381 - CB_GB1_2 N_GB1_45 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 382 - CB_GB1_2 OH_GB1_45 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 392 - CB_GB1_2 C_GB1_45 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 393 + CB_GB1_2 N_GB1_45 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 382 + CB_GB1_2 OH_GB1_45 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 392 + CB_GB1_2 C_GB1_45 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 393 CB_GB1_2 O_GB1_45 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 12 394 - CB_GB1_2 N_GB1_46 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 395 - CB_GB1_2 CG_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 399 - CB_GB1_2 OD1_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 400 - CB_GB1_2 OD2_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 401 - CB_GB1_2 C_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 402 + CB_GB1_2 N_GB1_46 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 395 + CB_GB1_2 CG_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 399 + CB_GB1_2 OD1_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 400 + CB_GB1_2 OD2_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 401 + CB_GB1_2 C_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 402 CB_GB1_2 O_GB1_46 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.001257e-04 0.004395 0.007862 True md_ensemble 7 12 403 - CB_GB1_2 N_GB1_47 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 404 - CB_GB1_2 CG_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 408 - CB_GB1_2 OD1_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 409 - CB_GB1_2 OD2_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 410 - CB_GB1_2 C_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 411 + CB_GB1_2 N_GB1_47 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 404 + CB_GB1_2 CG_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 408 + CB_GB1_2 OD1_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 409 + CB_GB1_2 OD2_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 410 + CB_GB1_2 C_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 411 CB_GB1_2 O_GB1_47 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.000451e-04 0.004395 0.007862 True md_ensemble 7 12 412 - CB_GB1_2 N_GB1_48 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 413 - CB_GB1_2 C_GB1_48 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 417 + CB_GB1_2 N_GB1_48 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 413 + CB_GB1_2 C_GB1_48 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 417 CB_GB1_2 O_GB1_48 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 4.857942e-05 0.004395 0.007862 True md_ensemble 7 12 418 - CB_GB1_2 N_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 419 - CB_GB1_2 OG1_GB1_49 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 423 - CB_GB1_2 C_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 425 + CB_GB1_2 N_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 419 + CB_GB1_2 OG1_GB1_49 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 423 + CB_GB1_2 C_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 425 CB_GB1_2 O_GB1_49 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 6.230000e-05 9.604187e-05 0.004395 0.007862 True md_ensemble 7 12 426 - CB_GB1_2 N_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 427 + CB_GB1_2 N_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 427 CB_GB1_2 CB_GB1_50 1 1.793143e-02 4.035062e-04 ; 5.313400e-01 1.992140e-01 5.378825e-02 1.990114e-04 0.004395 0.007117 True md_ensemble 7 12 430 CB_GB1_2 CG_GB1_50 1 7.284021e-03 1.632798e-04 ; 5.309988e-01 8.123627e-02 5.464540e-03 2.023812e-04 0.004395 0.007117 True md_ensemble 7 12 431 CB_GB1_2 CD_GB1_50 1 1.117314e-02 2.112582e-04 ; 5.161466e-01 1.477327e-01 1.982981e-02 5.338402e-04 0.004395 0.007117 True md_ensemble 7 12 432 CB_GB1_2 CE_GB1_50 1 6.208325e-03 7.753703e-05 ; 4.816769e-01 1.242738e-01 1.258470e-02 8.942696e-04 0.004395 0.007117 True md_ensemble 7 12 433 - CB_GB1_2 NZ_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 434 - CB_GB1_2 C_GB1_50 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 435 + CB_GB1_2 NZ_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 434 + CB_GB1_2 C_GB1_50 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 435 CB_GB1_2 O_GB1_50 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.516096e-05 0.004395 0.007862 True md_ensemble 7 12 436 - CB_GB1_2 N_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 437 - CB_GB1_2 OG1_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 441 - CB_GB1_2 C_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 443 + CB_GB1_2 N_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 437 + CB_GB1_2 OG1_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 441 + CB_GB1_2 C_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 443 CB_GB1_2 O_GB1_51 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.998945e-04 0.004395 0.007862 True md_ensemble 7 12 444 - CB_GB1_2 N_GB1_52 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 445 - CB_GB1_2 C_GB1_52 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 455 + CB_GB1_2 N_GB1_52 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 445 + CB_GB1_2 C_GB1_52 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 455 CB_GB1_2 O_GB1_52 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.001056e-04 0.004395 0.007862 True md_ensemble 7 12 456 - CB_GB1_2 N_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 457 - CB_GB1_2 OG1_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 461 - CB_GB1_2 C_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 463 + CB_GB1_2 N_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 457 + CB_GB1_2 OG1_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 461 + CB_GB1_2 C_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 463 CB_GB1_2 O_GB1_53 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 9.998733e-05 0.004395 0.007862 True md_ensemble 7 12 464 - CB_GB1_2 N_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 465 - CB_GB1_2 C_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 471 + CB_GB1_2 N_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 465 + CB_GB1_2 C_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 471 CB_GB1_2 O_GB1_54 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.000745e-04 0.004395 0.007862 True md_ensemble 7 12 472 - CB_GB1_2 N_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 473 - CB_GB1_2 OG1_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 477 - CB_GB1_2 C_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 479 + CB_GB1_2 N_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 473 + CB_GB1_2 OG1_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 477 + CB_GB1_2 C_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 479 CB_GB1_2 O_GB1_55 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.869271e-04 0.004395 0.007862 True md_ensemble 7 12 480 - CB_GB1_2 N_GB1_56 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 481 - CB_GB1_2 CD_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 486 - CB_GB1_2 OE1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 487 - CB_GB1_2 OE2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 488 - CB_GB1_2 C_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 489 - CB_GB1_2 O1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 490 - CB_GB1_2 O2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 491 - OG1_GB1_2 CG2_GB1_2 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 14 - OG1_GB1_2 O_GB1_2 1 0.000000e+00 4.506295e-07 ; 2.636210e-01 -4.506295e-07 4.841523e-01 7.241685e-01 0.004395 0.001132 True md_ensemble 4 13 16 - OG1_GB1_2 N_GB1_3 1 0.000000e+00 1.101642e-06 ; 2.840088e-01 -1.101642e-06 7.043998e-02 7.326264e-01 0.004395 0.001132 True md_ensemble 4 13 17 + CB_GB1_2 N_GB1_56 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 481 + CB_GB1_2 CD_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 486 + CB_GB1_2 OE1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 487 + CB_GB1_2 OE2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 488 + CB_GB1_2 C_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 489 + CB_GB1_2 O1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 490 + CB_GB1_2 O2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 12 491 + OG1_GB1_2 CG2_GB1_2 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 14 + OG1_GB1_2 O_GB1_2 1 0.000000e+00 4.506282e-07 ; 2.636209e-01 -4.506282e-07 4.841523e-01 7.241685e-01 0.004395 0.001132 True md_ensemble 4 13 16 + OG1_GB1_2 N_GB1_3 1 0.000000e+00 1.101629e-06 ; 2.840085e-01 -1.101629e-06 7.043998e-02 7.326264e-01 0.004395 0.001132 True md_ensemble 4 13 17 OG1_GB1_2 H_GB1_3 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 18 - OG1_GB1_2 CA_GB1_3 1 0.000000e+00 8.983365e-06 ; 3.382841e-01 -8.983365e-06 1.729202e-02 5.835012e-01 0.004395 0.001132 True md_ensemble 5 13 19 - OG1_GB1_2 CB_GB1_3 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 20 + OG1_GB1_2 CA_GB1_3 1 0.000000e+00 8.983335e-06 ; 3.382840e-01 -8.983335e-06 1.729202e-02 5.835012e-01 0.004395 0.001132 True md_ensemble 5 13 19 + OG1_GB1_2 CB_GB1_3 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 20 OG1_GB1_2 C_GB1_3 1 0.000000e+00 1.141961e-06 ; 2.848607e-01 -1.141961e-06 3.251475e-04 7.047225e-02 0.004395 0.001132 True md_ensemble 6 13 28 OG1_GB1_2 H_GB1_4 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 31 - OG1_GB1_2 CB_GB1_4 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 33 - OG1_GB1_2 CG_GB1_4 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 34 - OG1_GB1_2 CD_GB1_4 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 35 - OG1_GB1_2 CE_GB1_4 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 36 + OG1_GB1_2 CB_GB1_4 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 33 + OG1_GB1_2 CG_GB1_4 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 34 + OG1_GB1_2 CD_GB1_4 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 35 + OG1_GB1_2 CE_GB1_4 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 36 OG1_GB1_2 H_GB1_5 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 41 - OG1_GB1_2 CB_GB1_5 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 43 - OG1_GB1_2 CG_GB1_5 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 44 - OG1_GB1_2 CD1_GB1_5 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 45 - OG1_GB1_2 CD2_GB1_5 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 46 + OG1_GB1_2 CB_GB1_5 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 43 + OG1_GB1_2 CG_GB1_5 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 44 + OG1_GB1_2 CD1_GB1_5 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 45 + OG1_GB1_2 CD2_GB1_5 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 46 OG1_GB1_2 H_GB1_6 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 50 - OG1_GB1_2 CB_GB1_6 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 52 - OG1_GB1_2 CG1_GB1_6 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 53 - OG1_GB1_2 CG2_GB1_6 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 54 - OG1_GB1_2 CD_GB1_6 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 55 + OG1_GB1_2 CB_GB1_6 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 52 + OG1_GB1_2 CG1_GB1_6 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 53 + OG1_GB1_2 CG2_GB1_6 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 54 + OG1_GB1_2 CD_GB1_6 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 55 OG1_GB1_2 H_GB1_7 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 59 - OG1_GB1_2 CB_GB1_7 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 61 - OG1_GB1_2 CG_GB1_7 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 62 - OG1_GB1_2 CD1_GB1_7 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 63 - OG1_GB1_2 CD2_GB1_7 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 64 + OG1_GB1_2 CB_GB1_7 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 61 + OG1_GB1_2 CG_GB1_7 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 62 + OG1_GB1_2 CD1_GB1_7 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 63 + OG1_GB1_2 CD2_GB1_7 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 64 OG1_GB1_2 H_GB1_8 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 68 - OG1_GB1_2 CB_GB1_8 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 70 + OG1_GB1_2 CB_GB1_8 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 70 OG1_GB1_2 H_GB1_9 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 77 - OG1_GB1_2 CA_GB1_9 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 78 + OG1_GB1_2 CA_GB1_9 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 78 OG1_GB1_2 H_GB1_10 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 82 - OG1_GB1_2 CB_GB1_10 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 84 - OG1_GB1_2 CG_GB1_10 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 85 - OG1_GB1_2 CD_GB1_10 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 86 - OG1_GB1_2 CE_GB1_10 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 87 + OG1_GB1_2 CB_GB1_10 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 84 + OG1_GB1_2 CG_GB1_10 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 85 + OG1_GB1_2 CD_GB1_10 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 86 + OG1_GB1_2 CE_GB1_10 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 87 OG1_GB1_2 H_GB1_11 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 92 - OG1_GB1_2 CB_GB1_11 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 94 - OG1_GB1_2 CG2_GB1_11 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 96 + OG1_GB1_2 CB_GB1_11 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 94 + OG1_GB1_2 CG2_GB1_11 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 96 OG1_GB1_2 H_GB1_12 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 100 - OG1_GB1_2 CB_GB1_12 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 102 - OG1_GB1_2 CG_GB1_12 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 103 - OG1_GB1_2 CD1_GB1_12 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 104 - OG1_GB1_2 CD2_GB1_12 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 105 + OG1_GB1_2 CB_GB1_12 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 102 + OG1_GB1_2 CG_GB1_12 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 103 + OG1_GB1_2 CD1_GB1_12 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 104 + OG1_GB1_2 CD2_GB1_12 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 105 OG1_GB1_2 H_GB1_13 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 109 - OG1_GB1_2 CB_GB1_13 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 111 - OG1_GB1_2 CG_GB1_13 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 112 - OG1_GB1_2 CD_GB1_13 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 113 - OG1_GB1_2 CE_GB1_13 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 114 + OG1_GB1_2 CB_GB1_13 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 111 + OG1_GB1_2 CG_GB1_13 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 112 + OG1_GB1_2 CD_GB1_13 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 113 + OG1_GB1_2 CE_GB1_13 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 114 OG1_GB1_2 H_GB1_14 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 119 - OG1_GB1_2 CA_GB1_14 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 120 + OG1_GB1_2 CA_GB1_14 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 120 OG1_GB1_2 H_GB1_15 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 124 - OG1_GB1_2 CB_GB1_15 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 126 - OG1_GB1_2 CG_GB1_15 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 127 + OG1_GB1_2 CB_GB1_15 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 126 + OG1_GB1_2 CG_GB1_15 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 127 OG1_GB1_2 H_GB1_16 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 134 - OG1_GB1_2 CB_GB1_16 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 136 - OG1_GB1_2 CG2_GB1_16 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 138 + OG1_GB1_2 CB_GB1_16 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 136 + OG1_GB1_2 CG2_GB1_16 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 138 OG1_GB1_2 H_GB1_17 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 142 OG1_GB1_2 CB_GB1_17 1 2.741025e-03 1.203373e-05 ; 4.046515e-01 1.560867e-01 2.353014e-02 1.142065e-03 0.004395 0.001132 True md_ensemble 7 13 144 OG1_GB1_2 CG2_GB1_17 1 1.270544e-03 3.604154e-06 ; 3.762435e-01 1.119737e-01 1.137693e-02 1.298475e-03 0.004395 0.001132 True md_ensemble 7 13 146 OG1_GB1_2 H_GB1_18 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 150 - OG1_GB1_2 CB_GB1_18 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 152 - OG1_GB1_2 CG2_GB1_18 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 154 + OG1_GB1_2 CB_GB1_18 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 152 + OG1_GB1_2 CG2_GB1_18 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 154 OG1_GB1_2 H_GB1_19 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 158 OG1_GB1_2 CA_GB1_19 1 5.109599e-03 2.406509e-05 ; 4.094179e-01 2.712228e-01 2.171979e-01 6.199904e-04 0.004395 0.008483 True md_ensemble 7 13 159 OG1_GB1_2 CB_GB1_19 1 2.507166e-03 6.514358e-06 ; 3.707787e-01 2.412318e-01 1.214484e-01 5.163957e-04 0.004395 0.001132 True md_ensemble 7 13 160 @@ -2712,112 +2712,112 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 OG1_GB1_2 OE1_GB1_19 1 2.391786e-04 5.836887e-08 ; 2.499826e-01 2.450211e-01 1.307045e-01 7.092764e-04 0.004395 0.011584 True md_ensemble 7 13 163 OG1_GB1_2 OE2_GB1_19 1 2.391786e-04 5.836887e-08 ; 2.499826e-01 2.450211e-01 1.307045e-01 7.092764e-04 0.004395 0.011584 True md_ensemble 7 13 164 OG1_GB1_2 H_GB1_20 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 168 - OG1_GB1_2 CB_GB1_20 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 170 + OG1_GB1_2 CB_GB1_20 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 170 OG1_GB1_2 H_GB1_21 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 174 - OG1_GB1_2 CB_GB1_21 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 176 - OG1_GB1_2 CG1_GB1_21 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 177 - OG1_GB1_2 CG2_GB1_21 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 178 + OG1_GB1_2 CB_GB1_21 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 176 + OG1_GB1_2 CG1_GB1_21 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 177 + OG1_GB1_2 CG2_GB1_21 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 178 OG1_GB1_2 H_GB1_22 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 182 - OG1_GB1_2 CB_GB1_22 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 184 + OG1_GB1_2 CB_GB1_22 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 184 OG1_GB1_2 H_GB1_23 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 191 - OG1_GB1_2 CB_GB1_23 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 193 + OG1_GB1_2 CB_GB1_23 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 193 OG1_GB1_2 H_GB1_24 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 197 - OG1_GB1_2 CB_GB1_24 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 199 + OG1_GB1_2 CB_GB1_24 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 199 OG1_GB1_2 H_GB1_25 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 203 - OG1_GB1_2 CB_GB1_25 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 205 - OG1_GB1_2 CG2_GB1_25 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 207 + OG1_GB1_2 CB_GB1_25 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 205 + OG1_GB1_2 CG2_GB1_25 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 207 OG1_GB1_2 H_GB1_26 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 211 - OG1_GB1_2 CB_GB1_26 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 213 + OG1_GB1_2 CB_GB1_26 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 213 OG1_GB1_2 H_GB1_27 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 217 - OG1_GB1_2 CB_GB1_27 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 219 - OG1_GB1_2 CG_GB1_27 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 220 + OG1_GB1_2 CB_GB1_27 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 219 + OG1_GB1_2 CG_GB1_27 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 220 OG1_GB1_2 H_GB1_28 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 227 - OG1_GB1_2 CB_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 229 - OG1_GB1_2 CG_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 230 - OG1_GB1_2 CD_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 231 - OG1_GB1_2 CE_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 232 + OG1_GB1_2 CB_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 229 + OG1_GB1_2 CG_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 230 + OG1_GB1_2 CD_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 231 + OG1_GB1_2 CE_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 232 OG1_GB1_2 H_GB1_29 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 237 - OG1_GB1_2 CB_GB1_29 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 239 - OG1_GB1_2 CG1_GB1_29 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 240 - OG1_GB1_2 CG2_GB1_29 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 241 + OG1_GB1_2 CB_GB1_29 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 239 + OG1_GB1_2 CG1_GB1_29 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 240 + OG1_GB1_2 CG2_GB1_29 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 241 OG1_GB1_2 H_GB1_30 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 245 - OG1_GB1_2 CB_GB1_30 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 247 + OG1_GB1_2 CB_GB1_30 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 247 OG1_GB1_2 H_GB1_31 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 257 - OG1_GB1_2 CB_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 259 - OG1_GB1_2 CG_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 260 - OG1_GB1_2 CD_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 261 - OG1_GB1_2 CE_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 262 + OG1_GB1_2 CB_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 259 + OG1_GB1_2 CG_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 260 + OG1_GB1_2 CD_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 261 + OG1_GB1_2 CE_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 262 OG1_GB1_2 H_GB1_32 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 267 - OG1_GB1_2 CB_GB1_32 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 269 - OG1_GB1_2 CG_GB1_32 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 270 + OG1_GB1_2 CB_GB1_32 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 269 + OG1_GB1_2 CG_GB1_32 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 270 OG1_GB1_2 H_GB1_33 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 277 - OG1_GB1_2 CB_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 279 + OG1_GB1_2 CB_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 279 OG1_GB1_2 H_GB1_34 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 290 - OG1_GB1_2 CB_GB1_34 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 292 + OG1_GB1_2 CB_GB1_34 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 292 OG1_GB1_2 H_GB1_35 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 296 - OG1_GB1_2 CB_GB1_35 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 298 + OG1_GB1_2 CB_GB1_35 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 298 OG1_GB1_2 H_GB1_36 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 305 - OG1_GB1_2 CB_GB1_36 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 307 + OG1_GB1_2 CB_GB1_36 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 307 OG1_GB1_2 H_GB1_37 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 314 - OG1_GB1_2 CB_GB1_37 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 316 + OG1_GB1_2 CB_GB1_37 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 316 OG1_GB1_2 H_GB1_38 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 323 - OG1_GB1_2 CA_GB1_38 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 324 + OG1_GB1_2 CA_GB1_38 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 324 OG1_GB1_2 H_GB1_39 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 328 - OG1_GB1_2 CB_GB1_39 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 330 - OG1_GB1_2 CG1_GB1_39 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 331 - OG1_GB1_2 CG2_GB1_39 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 332 + OG1_GB1_2 CB_GB1_39 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 330 + OG1_GB1_2 CG1_GB1_39 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 331 + OG1_GB1_2 CG2_GB1_39 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 332 OG1_GB1_2 H_GB1_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 336 - OG1_GB1_2 CB_GB1_40 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 338 + OG1_GB1_2 CB_GB1_40 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 338 OG1_GB1_2 H_GB1_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 345 - OG1_GB1_2 CA_GB1_41 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 346 + OG1_GB1_2 CA_GB1_41 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 346 OG1_GB1_2 H_GB1_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 350 - OG1_GB1_2 CB_GB1_42 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 352 - OG1_GB1_2 CG_GB1_42 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 353 + OG1_GB1_2 CB_GB1_42 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 352 + OG1_GB1_2 CG_GB1_42 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 353 OG1_GB1_2 H_GB1_43 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 360 - OG1_GB1_2 CB_GB1_43 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 362 + OG1_GB1_2 CB_GB1_43 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 362 OG1_GB1_2 H_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 375 - OG1_GB1_2 CB_GB1_44 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 377 - OG1_GB1_2 CG2_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 379 + OG1_GB1_2 CB_GB1_44 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 377 + OG1_GB1_2 CG2_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 379 OG1_GB1_2 H_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 383 - OG1_GB1_2 CB_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 385 + OG1_GB1_2 CB_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 385 OG1_GB1_2 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 396 - OG1_GB1_2 CB_GB1_46 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 398 + OG1_GB1_2 CB_GB1_46 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 398 OG1_GB1_2 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 405 - OG1_GB1_2 CB_GB1_47 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 407 + OG1_GB1_2 CB_GB1_47 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 407 OG1_GB1_2 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 414 - OG1_GB1_2 CB_GB1_48 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 416 + OG1_GB1_2 CB_GB1_48 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 416 OG1_GB1_2 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 420 - OG1_GB1_2 CB_GB1_49 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 422 - OG1_GB1_2 CG2_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 424 + OG1_GB1_2 CB_GB1_49 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 422 + OG1_GB1_2 CG2_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 424 OG1_GB1_2 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 428 - OG1_GB1_2 CB_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 430 - OG1_GB1_2 CG_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 431 - OG1_GB1_2 CD_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 432 - OG1_GB1_2 CE_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 433 + OG1_GB1_2 CB_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 430 + OG1_GB1_2 CG_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 431 + OG1_GB1_2 CD_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 432 + OG1_GB1_2 CE_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 433 OG1_GB1_2 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 438 - OG1_GB1_2 CB_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 440 - OG1_GB1_2 CG2_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 442 + OG1_GB1_2 CB_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 440 + OG1_GB1_2 CG2_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 442 OG1_GB1_2 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 446 - OG1_GB1_2 CB_GB1_52 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 448 + OG1_GB1_2 CB_GB1_52 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 448 OG1_GB1_2 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 458 - OG1_GB1_2 CB_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 460 - OG1_GB1_2 CG2_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 462 + OG1_GB1_2 CB_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 460 + OG1_GB1_2 CG2_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 462 OG1_GB1_2 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 466 - OG1_GB1_2 CB_GB1_54 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 468 - OG1_GB1_2 CG1_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 469 - OG1_GB1_2 CG2_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 470 + OG1_GB1_2 CB_GB1_54 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 468 + OG1_GB1_2 CG1_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 469 + OG1_GB1_2 CG2_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 470 OG1_GB1_2 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 474 - OG1_GB1_2 CB_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 476 - OG1_GB1_2 CG2_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 478 + OG1_GB1_2 CB_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 476 + OG1_GB1_2 CG2_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 478 OG1_GB1_2 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 482 - OG1_GB1_2 CB_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 484 - OG1_GB1_2 CG_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 485 - CG2_GB1_2 C_GB1_2 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 15 + OG1_GB1_2 CB_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 484 + OG1_GB1_2 CG_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 13 485 + CG2_GB1_2 C_GB1_2 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 15 CG2_GB1_2 O_GB1_2 1 0.000000e+00 1.362806e-06 ; 2.890887e-01 -1.362806e-06 9.984017e-01 9.045277e-01 0.004395 0.001132 True md_ensemble 4 14 16 - CG2_GB1_2 N_GB1_3 1 0.000000e+00 2.593432e-06 ; 3.050127e-01 -2.593432e-06 9.999148e-01 9.454130e-01 0.004395 0.001132 True md_ensemble 4 14 17 + CG2_GB1_2 N_GB1_3 1 0.000000e+00 2.593407e-06 ; 3.050124e-01 -2.593407e-06 9.999148e-01 9.454130e-01 0.004395 0.001132 True md_ensemble 4 14 17 CG2_GB1_2 CA_GB1_3 1 0.000000e+00 1.445216e-05 ; 3.519568e-01 -1.445216e-05 9.904977e-01 5.993198e-01 0.004395 0.001132 True md_ensemble 5 14 19 - CG2_GB1_2 CB_GB1_3 1 0.000000e+00 1.158830e-05 ; 3.455387e-01 -1.158830e-05 1.428112e-01 1.487564e-01 0.004395 0.001132 True md_ensemble 6 14 20 - CG2_GB1_2 OH_GB1_3 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 27 + CG2_GB1_2 CB_GB1_3 1 0.000000e+00 1.158816e-05 ; 3.455383e-01 -1.158816e-05 1.428112e-01 1.487564e-01 0.004395 0.001132 True md_ensemble 6 14 20 + CG2_GB1_2 OH_GB1_3 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 27 CG2_GB1_2 C_GB1_3 1 1.057969e-03 2.845532e-06 ; 3.729195e-01 9.833819e-02 9.617169e-01 1.429680e-01 0.004395 0.001132 True md_ensemble 6 14 28 CG2_GB1_2 O_GB1_3 1 9.821502e-04 1.073336e-06 ; 3.209418e-01 2.246778e-01 9.487623e-01 8.464921e-02 0.004395 0.007862 True md_ensemble 7 14 29 CG2_GB1_2 N_GB1_4 1 1.568409e-03 8.679403e-06 ; 4.205701e-01 7.085473e-02 2.530713e-01 6.408989e-02 0.004395 0.001132 True md_ensemble 7 14 30 @@ -2826,56 +2826,56 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CG2_GB1_2 CG_GB1_4 1 1.654387e-03 5.789584e-06 ; 3.896444e-01 1.181862e-01 6.220199e-02 6.758129e-02 0.004395 0.012151 True md_ensemble 7 14 34 CG2_GB1_2 CD_GB1_4 1 2.272926e-03 1.132226e-05 ; 4.132612e-01 1.140716e-01 4.045086e-02 4.759773e-02 0.004395 0.012151 True md_ensemble 7 14 35 CG2_GB1_2 CE_GB1_4 1 2.172290e-03 9.167898e-06 ; 4.019993e-01 1.286784e-01 5.168748e-02 4.582306e-02 0.004395 0.012151 True md_ensemble 7 14 36 - CG2_GB1_2 NZ_GB1_4 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 37 - CG2_GB1_2 C_GB1_4 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 38 + CG2_GB1_2 NZ_GB1_4 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 37 + CG2_GB1_2 C_GB1_4 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 38 CG2_GB1_2 O_GB1_4 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 39 - CG2_GB1_2 N_GB1_5 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 40 - CG2_GB1_2 C_GB1_5 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 47 + CG2_GB1_2 N_GB1_5 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 40 + CG2_GB1_2 C_GB1_5 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 47 CG2_GB1_2 O_GB1_5 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 48 - CG2_GB1_2 N_GB1_6 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 49 - CG2_GB1_2 C_GB1_6 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 56 + CG2_GB1_2 N_GB1_6 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 49 + CG2_GB1_2 C_GB1_6 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 56 CG2_GB1_2 O_GB1_6 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 57 - CG2_GB1_2 N_GB1_7 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 58 - CG2_GB1_2 C_GB1_7 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 65 + CG2_GB1_2 N_GB1_7 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 58 + CG2_GB1_2 C_GB1_7 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 65 CG2_GB1_2 O_GB1_7 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 66 - CG2_GB1_2 N_GB1_8 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 67 - CG2_GB1_2 CG_GB1_8 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 71 + CG2_GB1_2 N_GB1_8 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 67 + CG2_GB1_2 CG_GB1_8 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 71 CG2_GB1_2 OD1_GB1_8 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 72 - CG2_GB1_2 ND2_GB1_8 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 73 - CG2_GB1_2 C_GB1_8 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 74 + CG2_GB1_2 ND2_GB1_8 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 73 + CG2_GB1_2 C_GB1_8 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 74 CG2_GB1_2 O_GB1_8 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 75 - CG2_GB1_2 N_GB1_9 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 76 - CG2_GB1_2 C_GB1_9 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 79 + CG2_GB1_2 N_GB1_9 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 76 + CG2_GB1_2 C_GB1_9 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 79 CG2_GB1_2 O_GB1_9 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 80 - CG2_GB1_2 N_GB1_10 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 81 - CG2_GB1_2 NZ_GB1_10 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 88 - CG2_GB1_2 C_GB1_10 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 89 + CG2_GB1_2 N_GB1_10 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 81 + CG2_GB1_2 NZ_GB1_10 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 88 + CG2_GB1_2 C_GB1_10 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 89 CG2_GB1_2 O_GB1_10 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 90 - CG2_GB1_2 N_GB1_11 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 91 - CG2_GB1_2 OG1_GB1_11 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 95 - CG2_GB1_2 C_GB1_11 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 97 + CG2_GB1_2 N_GB1_11 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 91 + CG2_GB1_2 OG1_GB1_11 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 95 + CG2_GB1_2 C_GB1_11 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 97 CG2_GB1_2 O_GB1_11 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 98 - CG2_GB1_2 N_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 99 - CG2_GB1_2 C_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 106 + CG2_GB1_2 N_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 99 + CG2_GB1_2 C_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 106 CG2_GB1_2 O_GB1_12 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 107 - CG2_GB1_2 N_GB1_13 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 108 - CG2_GB1_2 NZ_GB1_13 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 115 - CG2_GB1_2 C_GB1_13 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 116 + CG2_GB1_2 N_GB1_13 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 108 + CG2_GB1_2 NZ_GB1_13 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 115 + CG2_GB1_2 C_GB1_13 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 116 CG2_GB1_2 O_GB1_13 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 117 - CG2_GB1_2 N_GB1_14 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 118 - CG2_GB1_2 C_GB1_14 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 121 + CG2_GB1_2 N_GB1_14 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 118 + CG2_GB1_2 C_GB1_14 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 121 CG2_GB1_2 O_GB1_14 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 122 - CG2_GB1_2 N_GB1_15 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 123 - CG2_GB1_2 CD_GB1_15 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 128 + CG2_GB1_2 N_GB1_15 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 123 + CG2_GB1_2 CD_GB1_15 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 128 CG2_GB1_2 OE1_GB1_15 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 129 CG2_GB1_2 OE2_GB1_15 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 130 - CG2_GB1_2 C_GB1_15 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 131 + CG2_GB1_2 C_GB1_15 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 131 CG2_GB1_2 O_GB1_15 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 132 - CG2_GB1_2 N_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 133 - CG2_GB1_2 OG1_GB1_16 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 137 - CG2_GB1_2 C_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 139 + CG2_GB1_2 N_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 133 + CG2_GB1_2 OG1_GB1_16 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 137 + CG2_GB1_2 C_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 139 CG2_GB1_2 O_GB1_16 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 140 - CG2_GB1_2 N_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 141 + CG2_GB1_2 N_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 141 CG2_GB1_2 CA_GB1_17 1 9.672531e-03 6.730079e-05 ; 4.369315e-01 3.475363e-01 9.533680e-01 1.158142e-03 0.004395 0.010759 True md_ensemble 7 14 143 CG2_GB1_2 CB_GB1_17 1 2.173033e-03 3.378072e-06 ; 3.403563e-01 3.494650e-01 9.896843e-01 2.383460e-03 0.004395 0.010759 True md_ensemble 7 14 144 CG2_GB1_2 OG1_GB1_17 1 1.272021e-03 1.227516e-06 ; 3.143563e-01 3.295350e-01 6.799717e-01 1.144125e-03 0.004395 0.001132 True md_ensemble 7 14 145 @@ -2885,7 +2885,7 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CG2_GB1_2 N_GB1_18 1 4.680104e-03 1.683112e-05 ; 3.914199e-01 3.253404e-01 6.200349e-01 9.983570e-05 0.004395 0.001132 True md_ensemble 7 14 149 CG2_GB1_2 CA_GB1_18 1 1.333976e-02 1.309952e-04 ; 4.627551e-01 3.396105e-01 8.176005e-01 1.141455e-03 0.004395 0.010759 True md_ensemble 7 14 151 CG2_GB1_2 CB_GB1_18 1 8.182653e-03 1.586415e-04 ; 5.183071e-01 1.055143e-01 8.748340e-03 2.100697e-03 0.004395 0.010759 True md_ensemble 7 14 152 - CG2_GB1_2 OG1_GB1_18 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 153 + CG2_GB1_2 OG1_GB1_18 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 153 CG2_GB1_2 C_GB1_18 1 5.098795e-03 1.955843e-05 ; 3.956499e-01 3.323083e-01 7.096953e-01 4.404831e-04 0.004395 0.001132 True md_ensemble 7 14 155 CG2_GB1_2 O_GB1_18 1 1.895087e-03 2.633900e-06 ; 3.340630e-01 3.408782e-01 8.379407e-01 1.999165e-04 0.004395 0.007862 True md_ensemble 7 14 156 CG2_GB1_2 N_GB1_19 1 3.716993e-03 1.433308e-05 ; 3.959965e-01 2.409816e-01 1.208609e-01 3.001034e-04 0.004395 0.001132 True md_ensemble 7 14 157 @@ -2895,307 +2895,307 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CG2_GB1_2 CD_GB1_19 1 3.137635e-03 1.333456e-05 ; 4.024662e-01 1.845721e-01 4.301112e-02 1.201869e-03 0.004395 0.001132 True md_ensemble 7 14 162 CG2_GB1_2 OE1_GB1_19 1 4.969679e-04 4.714426e-07 ; 3.134609e-01 1.309688e-01 1.432850e-02 6.481994e-04 0.004395 0.001132 True md_ensemble 7 14 163 CG2_GB1_2 OE2_GB1_19 1 4.969679e-04 4.714426e-07 ; 3.134609e-01 1.309688e-01 1.432850e-02 6.481994e-04 0.004395 0.001132 True md_ensemble 7 14 164 - CG2_GB1_2 C_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 165 + CG2_GB1_2 C_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 165 CG2_GB1_2 O_GB1_19 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 166 - CG2_GB1_2 N_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 167 - CG2_GB1_2 C_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 171 + CG2_GB1_2 N_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 167 + CG2_GB1_2 C_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 171 CG2_GB1_2 O_GB1_20 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 172 - CG2_GB1_2 N_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 173 - CG2_GB1_2 C_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 179 + CG2_GB1_2 N_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 173 + CG2_GB1_2 C_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 179 CG2_GB1_2 O_GB1_21 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 180 - CG2_GB1_2 N_GB1_22 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 181 - CG2_GB1_2 CG_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 185 + CG2_GB1_2 N_GB1_22 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 181 + CG2_GB1_2 CG_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 185 CG2_GB1_2 OD1_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 186 CG2_GB1_2 OD2_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 187 - CG2_GB1_2 C_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 188 + CG2_GB1_2 C_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 188 CG2_GB1_2 O_GB1_22 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 189 - CG2_GB1_2 N_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 190 - CG2_GB1_2 C_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 194 + CG2_GB1_2 N_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 190 + CG2_GB1_2 C_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 194 CG2_GB1_2 O_GB1_23 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 195 - CG2_GB1_2 N_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 196 - CG2_GB1_2 C_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 200 + CG2_GB1_2 N_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 196 + CG2_GB1_2 C_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 200 CG2_GB1_2 O_GB1_24 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 201 - CG2_GB1_2 N_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 202 - CG2_GB1_2 OG1_GB1_25 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 206 - CG2_GB1_2 C_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 208 + CG2_GB1_2 N_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 202 + CG2_GB1_2 OG1_GB1_25 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 206 + CG2_GB1_2 C_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 208 CG2_GB1_2 O_GB1_25 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 209 - CG2_GB1_2 N_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 210 - CG2_GB1_2 C_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 214 + CG2_GB1_2 N_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 210 + CG2_GB1_2 C_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 214 CG2_GB1_2 O_GB1_26 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 215 - CG2_GB1_2 N_GB1_27 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 216 - CG2_GB1_2 CD_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 221 + CG2_GB1_2 N_GB1_27 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 216 + CG2_GB1_2 CD_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 221 CG2_GB1_2 OE1_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 222 CG2_GB1_2 OE2_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 223 - CG2_GB1_2 C_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 224 + CG2_GB1_2 C_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 224 CG2_GB1_2 O_GB1_27 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 225 - CG2_GB1_2 N_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 226 - CG2_GB1_2 NZ_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 233 - CG2_GB1_2 C_GB1_28 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 234 + CG2_GB1_2 N_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 226 + CG2_GB1_2 NZ_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 233 + CG2_GB1_2 C_GB1_28 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 234 CG2_GB1_2 O_GB1_28 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 235 - CG2_GB1_2 N_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 236 - CG2_GB1_2 C_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 242 + CG2_GB1_2 N_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 236 + CG2_GB1_2 C_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 242 CG2_GB1_2 O_GB1_29 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 243 - CG2_GB1_2 N_GB1_30 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 244 - CG2_GB1_2 C_GB1_30 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 254 + CG2_GB1_2 N_GB1_30 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 244 + CG2_GB1_2 C_GB1_30 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 254 CG2_GB1_2 O_GB1_30 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 255 - CG2_GB1_2 N_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 256 - CG2_GB1_2 NZ_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 263 - CG2_GB1_2 C_GB1_31 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 264 + CG2_GB1_2 N_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 256 + CG2_GB1_2 NZ_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 263 + CG2_GB1_2 C_GB1_31 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 264 CG2_GB1_2 O_GB1_31 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 265 - CG2_GB1_2 N_GB1_32 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 266 - CG2_GB1_2 CD_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 271 + CG2_GB1_2 N_GB1_32 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 266 + CG2_GB1_2 CD_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 271 CG2_GB1_2 OE1_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 272 - CG2_GB1_2 NE2_GB1_32 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 273 - CG2_GB1_2 C_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 274 + CG2_GB1_2 NE2_GB1_32 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 273 + CG2_GB1_2 C_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 274 CG2_GB1_2 O_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 275 - CG2_GB1_2 N_GB1_33 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 276 - CG2_GB1_2 OH_GB1_33 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 286 - CG2_GB1_2 C_GB1_33 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 287 + CG2_GB1_2 N_GB1_33 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 276 + CG2_GB1_2 OH_GB1_33 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 286 + CG2_GB1_2 C_GB1_33 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 287 CG2_GB1_2 O_GB1_33 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 288 - CG2_GB1_2 N_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 289 - CG2_GB1_2 C_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 293 + CG2_GB1_2 N_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 289 + CG2_GB1_2 C_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 293 CG2_GB1_2 O_GB1_34 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 294 - CG2_GB1_2 N_GB1_35 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 295 - CG2_GB1_2 CG_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 299 + CG2_GB1_2 N_GB1_35 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 295 + CG2_GB1_2 CG_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 299 CG2_GB1_2 OD1_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 300 - CG2_GB1_2 ND2_GB1_35 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 301 - CG2_GB1_2 C_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 302 + CG2_GB1_2 ND2_GB1_35 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 301 + CG2_GB1_2 C_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 302 CG2_GB1_2 O_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 303 - CG2_GB1_2 N_GB1_36 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 304 - CG2_GB1_2 CG_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 308 + CG2_GB1_2 N_GB1_36 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 304 + CG2_GB1_2 CG_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 308 CG2_GB1_2 OD1_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 309 CG2_GB1_2 OD2_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 310 - CG2_GB1_2 C_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 311 + CG2_GB1_2 C_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 311 CG2_GB1_2 O_GB1_36 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 312 - CG2_GB1_2 N_GB1_37 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 313 - CG2_GB1_2 CG_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 317 + CG2_GB1_2 N_GB1_37 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 313 + CG2_GB1_2 CG_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 317 CG2_GB1_2 OD1_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 318 - CG2_GB1_2 ND2_GB1_37 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 319 - CG2_GB1_2 C_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 320 + CG2_GB1_2 ND2_GB1_37 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 319 + CG2_GB1_2 C_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 320 CG2_GB1_2 O_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 321 - CG2_GB1_2 N_GB1_38 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 322 - CG2_GB1_2 C_GB1_38 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 325 + CG2_GB1_2 N_GB1_38 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 322 + CG2_GB1_2 C_GB1_38 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 325 CG2_GB1_2 O_GB1_38 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 326 - CG2_GB1_2 N_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 327 - CG2_GB1_2 C_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 333 + CG2_GB1_2 N_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 327 + CG2_GB1_2 C_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 333 CG2_GB1_2 O_GB1_39 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 334 - CG2_GB1_2 N_GB1_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 335 - CG2_GB1_2 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 339 + CG2_GB1_2 N_GB1_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 335 + CG2_GB1_2 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 339 CG2_GB1_2 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 340 CG2_GB1_2 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 341 - CG2_GB1_2 C_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 342 + CG2_GB1_2 C_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 342 CG2_GB1_2 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 343 - CG2_GB1_2 N_GB1_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 344 - CG2_GB1_2 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 347 + CG2_GB1_2 N_GB1_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 344 + CG2_GB1_2 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 347 CG2_GB1_2 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 348 - CG2_GB1_2 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 349 - CG2_GB1_2 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 354 + CG2_GB1_2 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 349 + CG2_GB1_2 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 354 CG2_GB1_2 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 355 CG2_GB1_2 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 356 - CG2_GB1_2 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 357 + CG2_GB1_2 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 357 CG2_GB1_2 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 358 - CG2_GB1_2 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 359 - CG2_GB1_2 NE1_GB1_43 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 366 - CG2_GB1_2 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 372 + CG2_GB1_2 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 359 + CG2_GB1_2 NE1_GB1_43 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 366 + CG2_GB1_2 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 372 CG2_GB1_2 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 373 - CG2_GB1_2 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 374 - CG2_GB1_2 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 378 - CG2_GB1_2 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 380 + CG2_GB1_2 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 374 + CG2_GB1_2 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 378 + CG2_GB1_2 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 380 CG2_GB1_2 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 381 - CG2_GB1_2 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 382 - CG2_GB1_2 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 392 - CG2_GB1_2 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 393 + CG2_GB1_2 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 382 + CG2_GB1_2 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 392 + CG2_GB1_2 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 393 CG2_GB1_2 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 394 - CG2_GB1_2 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 395 - CG2_GB1_2 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 399 + CG2_GB1_2 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 395 + CG2_GB1_2 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 399 CG2_GB1_2 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 400 CG2_GB1_2 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 401 - CG2_GB1_2 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 402 + CG2_GB1_2 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 402 CG2_GB1_2 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 403 - CG2_GB1_2 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 404 - CG2_GB1_2 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 408 + CG2_GB1_2 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 404 + CG2_GB1_2 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 408 CG2_GB1_2 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 409 CG2_GB1_2 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 410 - CG2_GB1_2 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 411 + CG2_GB1_2 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 411 CG2_GB1_2 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 412 - CG2_GB1_2 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 413 - CG2_GB1_2 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 417 + CG2_GB1_2 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 413 + CG2_GB1_2 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 417 CG2_GB1_2 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 418 - CG2_GB1_2 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 419 - CG2_GB1_2 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 423 - CG2_GB1_2 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 425 + CG2_GB1_2 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 419 + CG2_GB1_2 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 423 + CG2_GB1_2 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 425 CG2_GB1_2 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 426 - CG2_GB1_2 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 427 - CG2_GB1_2 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 434 - CG2_GB1_2 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 435 + CG2_GB1_2 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 427 + CG2_GB1_2 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 434 + CG2_GB1_2 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 435 CG2_GB1_2 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 436 - CG2_GB1_2 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 437 - CG2_GB1_2 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 441 - CG2_GB1_2 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 443 + CG2_GB1_2 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 437 + CG2_GB1_2 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 441 + CG2_GB1_2 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 443 CG2_GB1_2 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 444 - CG2_GB1_2 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 445 - CG2_GB1_2 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 455 + CG2_GB1_2 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 445 + CG2_GB1_2 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 455 CG2_GB1_2 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 456 - CG2_GB1_2 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 457 - CG2_GB1_2 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 461 - CG2_GB1_2 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 463 + CG2_GB1_2 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 457 + CG2_GB1_2 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 461 + CG2_GB1_2 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 463 CG2_GB1_2 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 464 - CG2_GB1_2 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 465 - CG2_GB1_2 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 471 + CG2_GB1_2 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 465 + CG2_GB1_2 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 471 CG2_GB1_2 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 472 - CG2_GB1_2 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 473 - CG2_GB1_2 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 477 - CG2_GB1_2 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 479 + CG2_GB1_2 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 473 + CG2_GB1_2 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 477 + CG2_GB1_2 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 479 CG2_GB1_2 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 480 - CG2_GB1_2 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 481 - CG2_GB1_2 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 486 + CG2_GB1_2 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 481 + CG2_GB1_2 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 486 CG2_GB1_2 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 487 CG2_GB1_2 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 488 - CG2_GB1_2 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 489 + CG2_GB1_2 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 489 CG2_GB1_2 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 490 CG2_GB1_2 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 14 491 - C_GB1_2 CB_GB1_3 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 20 - C_GB1_2 CG_GB1_3 1 0.000000e+00 2.488907e-06 ; 3.039688e-01 -2.488907e-06 1.000000e+00 9.577988e-01 0.004395 0.001132 True md_ensemble 4 15 21 - C_GB1_2 CD1_GB1_3 1 0.000000e+00 1.593982e-06 ; 2.928882e-01 -1.593982e-06 9.996688e-01 6.130761e-01 0.004395 0.001132 True md_ensemble 5 15 22 - C_GB1_2 CD2_GB1_3 1 0.000000e+00 1.593982e-06 ; 2.928882e-01 -1.593982e-06 9.996688e-01 6.130761e-01 0.004395 0.001132 True md_ensemble 5 15 23 - C_GB1_2 CE1_GB1_3 1 0.000000e+00 1.925741e-06 ; 2.975396e-01 -1.925741e-06 4.226793e-01 1.637567e-01 0.004395 0.001132 True md_ensemble 6 15 24 - C_GB1_2 CE2_GB1_3 1 0.000000e+00 1.925741e-06 ; 2.975396e-01 -1.925741e-06 4.226793e-01 1.637567e-01 0.004395 0.001132 True md_ensemble 6 15 25 + C_GB1_2 CB_GB1_3 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 20 + C_GB1_2 CG_GB1_3 1 0.000000e+00 2.488863e-06 ; 3.039684e-01 -2.488863e-06 1.000000e+00 9.577988e-01 0.004395 0.001132 True md_ensemble 4 15 21 + C_GB1_2 CD1_GB1_3 1 0.000000e+00 1.593954e-06 ; 2.928878e-01 -1.593954e-06 9.996688e-01 6.130761e-01 0.004395 0.001132 True md_ensemble 5 15 22 + C_GB1_2 CD2_GB1_3 1 0.000000e+00 1.593954e-06 ; 2.928878e-01 -1.593954e-06 9.996688e-01 6.130761e-01 0.004395 0.001132 True md_ensemble 5 15 23 + C_GB1_2 CE1_GB1_3 1 0.000000e+00 1.925707e-06 ; 2.975392e-01 -1.925707e-06 4.226793e-01 1.637567e-01 0.004395 0.001132 True md_ensemble 6 15 24 + C_GB1_2 CE2_GB1_3 1 0.000000e+00 1.925707e-06 ; 2.975392e-01 -1.925707e-06 4.226793e-01 1.637567e-01 0.004395 0.001132 True md_ensemble 6 15 25 C_GB1_2 CZ_GB1_3 1 2.007826e-03 1.268168e-05 ; 4.299406e-01 7.947222e-02 1.082356e-02 3.124260e-02 0.004395 0.015243 True md_ensemble 7 15 26 - C_GB1_2 O_GB1_3 1 0.000000e+00 7.329487e-07 ; 2.745266e-01 -7.329487e-07 9.999923e-01 8.863277e-01 0.004395 0.001132 True md_ensemble 4 15 29 - C_GB1_2 N_GB1_4 1 0.000000e+00 1.433153e-06 ; 2.903038e-01 -1.433153e-06 9.976221e-01 9.478949e-01 0.004395 0.001132 True md_ensemble 4 15 30 - C_GB1_2 CA_GB1_4 1 0.000000e+00 1.151100e-05 ; 3.453460e-01 -1.151100e-05 8.969196e-01 7.788623e-01 0.004395 0.001132 True md_ensemble 5 15 32 - C_GB1_2 CB_GB1_4 1 0.000000e+00 7.274489e-06 ; 3.323879e-01 -7.274489e-06 3.261230e-02 1.811020e-01 0.004395 0.001132 True md_ensemble 6 15 33 - C_GB1_2 CG_GB1_4 1 0.000000e+00 7.166422e-06 ; 3.319736e-01 -7.166422e-06 3.066051e-02 1.620887e-01 0.004395 0.001132 True md_ensemble 7 15 34 - C_GB1_2 CD_GB1_4 1 0.000000e+00 6.475456e-06 ; 3.291806e-01 -6.475456e-06 7.445737e-03 2.978486e-02 0.004395 0.001132 True md_ensemble 7 15 35 - C_GB1_2 CE_GB1_4 1 0.000000e+00 6.423163e-06 ; 3.289582e-01 -6.423163e-06 7.304817e-03 2.138796e-02 0.004395 0.001132 True md_ensemble 7 15 36 + C_GB1_2 O_GB1_3 1 0.000000e+00 7.329453e-07 ; 2.745265e-01 -7.329453e-07 9.999923e-01 8.863277e-01 0.004395 0.001132 True md_ensemble 4 15 29 + C_GB1_2 N_GB1_4 1 0.000000e+00 1.433133e-06 ; 2.903035e-01 -1.433133e-06 9.976221e-01 9.478949e-01 0.004395 0.001132 True md_ensemble 4 15 30 + C_GB1_2 CA_GB1_4 1 0.000000e+00 1.151094e-05 ; 3.453458e-01 -1.151094e-05 8.969196e-01 7.788623e-01 0.004395 0.001132 True md_ensemble 5 15 32 + C_GB1_2 CB_GB1_4 1 0.000000e+00 7.274367e-06 ; 3.323874e-01 -7.274367e-06 3.261230e-02 1.811020e-01 0.004395 0.001132 True md_ensemble 6 15 33 + C_GB1_2 CG_GB1_4 1 0.000000e+00 7.166302e-06 ; 3.319731e-01 -7.166302e-06 3.066051e-02 1.620887e-01 0.004395 0.001132 True md_ensemble 7 15 34 + C_GB1_2 CD_GB1_4 1 0.000000e+00 6.475347e-06 ; 3.291801e-01 -6.475347e-06 7.445737e-03 2.978486e-02 0.004395 0.001132 True md_ensemble 7 15 35 + C_GB1_2 CE_GB1_4 1 0.000000e+00 6.423055e-06 ; 3.289578e-01 -6.423055e-06 7.304817e-03 2.138796e-02 0.004395 0.001132 True md_ensemble 7 15 36 C_GB1_2 C_GB1_4 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 0.000000e+00 9.044942e-02 0.004395 0.001132 True md_ensemble 6 15 38 - C_GB1_2 CB_GB1_5 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 43 - C_GB1_2 CG_GB1_5 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 44 - C_GB1_2 CD1_GB1_5 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 45 - C_GB1_2 CD2_GB1_5 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 46 - C_GB1_2 CB_GB1_6 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 52 - C_GB1_2 CG1_GB1_6 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 53 - C_GB1_2 CG2_GB1_6 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 54 - C_GB1_2 CD_GB1_6 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 55 - C_GB1_2 CB_GB1_7 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 61 - C_GB1_2 CG_GB1_7 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 62 - C_GB1_2 CD1_GB1_7 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 63 - C_GB1_2 CD2_GB1_7 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 64 - C_GB1_2 CB_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 70 - C_GB1_2 CA_GB1_9 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 78 - C_GB1_2 CB_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 84 - C_GB1_2 CG_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 85 - C_GB1_2 CD_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 86 - C_GB1_2 CE_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 87 - C_GB1_2 CB_GB1_11 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 94 - C_GB1_2 CG2_GB1_11 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 96 - C_GB1_2 CB_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 102 - C_GB1_2 CG_GB1_12 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 103 - C_GB1_2 CD1_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 104 - C_GB1_2 CD2_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 105 - C_GB1_2 CB_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 111 - C_GB1_2 CG_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 112 - C_GB1_2 CD_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 113 - C_GB1_2 CE_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 114 - C_GB1_2 CA_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 120 - C_GB1_2 CB_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 126 - C_GB1_2 CG_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 127 - C_GB1_2 CB_GB1_16 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 136 - C_GB1_2 CG2_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 138 + C_GB1_2 CB_GB1_5 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 43 + C_GB1_2 CG_GB1_5 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 44 + C_GB1_2 CD1_GB1_5 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 45 + C_GB1_2 CD2_GB1_5 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 46 + C_GB1_2 CB_GB1_6 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 52 + C_GB1_2 CG1_GB1_6 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 53 + C_GB1_2 CG2_GB1_6 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 54 + C_GB1_2 CD_GB1_6 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 55 + C_GB1_2 CB_GB1_7 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 61 + C_GB1_2 CG_GB1_7 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 62 + C_GB1_2 CD1_GB1_7 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 63 + C_GB1_2 CD2_GB1_7 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 64 + C_GB1_2 CB_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 70 + C_GB1_2 CA_GB1_9 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 78 + C_GB1_2 CB_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 84 + C_GB1_2 CG_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 85 + C_GB1_2 CD_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 86 + C_GB1_2 CE_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 87 + C_GB1_2 CB_GB1_11 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 94 + C_GB1_2 CG2_GB1_11 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 96 + C_GB1_2 CB_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 102 + C_GB1_2 CG_GB1_12 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 103 + C_GB1_2 CD1_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 104 + C_GB1_2 CD2_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 105 + C_GB1_2 CB_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 111 + C_GB1_2 CG_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 112 + C_GB1_2 CD_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 113 + C_GB1_2 CE_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 114 + C_GB1_2 CA_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 120 + C_GB1_2 CB_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 126 + C_GB1_2 CG_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 127 + C_GB1_2 CB_GB1_16 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 136 + C_GB1_2 CG2_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 138 C_GB1_2 CB_GB1_17 1 1.451812e-02 1.987795e-04 ; 4.891141e-01 2.650877e-01 1.928457e-01 6.951537e-04 0.004395 0.001132 True md_ensemble 7 15 144 C_GB1_2 OG1_GB1_17 1 8.827783e-04 2.204048e-06 ; 3.683225e-01 8.839391e-02 6.277785e-03 1.288739e-04 0.004395 0.011584 True md_ensemble 7 15 145 C_GB1_2 CG2_GB1_17 1 4.292840e-03 2.529043e-05 ; 4.249801e-01 1.821685e-01 3.865440e-02 5.188720e-04 0.004395 0.001132 True md_ensemble 7 15 146 C_GB1_2 CA_GB1_18 1 1.495882e-02 2.220149e-04 ; 4.957326e-01 2.519723e-01 1.495564e-01 1.003973e-04 0.004395 0.008482 True md_ensemble 7 15 151 - C_GB1_2 CB_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 152 - C_GB1_2 CG2_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 154 + C_GB1_2 CB_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 152 + C_GB1_2 CG2_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 154 C_GB1_2 C_GB1_18 1 7.710654e-03 4.580076e-05 ; 4.255627e-01 3.245262e-01 6.103264e-01 0.000000e+00 0.004395 0.011584 True md_ensemble 7 15 155 C_GB1_2 O_GB1_18 1 1.705438e-03 2.078370e-06 ; 3.268244e-01 3.498558e-01 9.972087e-01 0.000000e+00 0.004395 0.011584 True md_ensemble 7 15 156 C_GB1_2 CA_GB1_19 1 1.515848e-02 1.726733e-04 ; 4.743457e-01 3.326794e-01 7.148186e-01 0.000000e+00 0.004395 0.008482 True md_ensemble 7 15 159 - C_GB1_2 CB_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 160 + C_GB1_2 CB_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 160 C_GB1_2 CG_GB1_19 1 4.068105e-03 4.031432e-05 ; 4.634589e-01 1.026278e-01 8.272310e-03 8.001968e-05 0.004395 0.001132 True md_ensemble 7 15 161 - C_GB1_2 CB_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 170 - C_GB1_2 CB_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 176 - C_GB1_2 CG1_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 177 - C_GB1_2 CG2_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 178 - C_GB1_2 CB_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 184 - C_GB1_2 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 193 - C_GB1_2 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 199 - C_GB1_2 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 205 - C_GB1_2 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 207 - C_GB1_2 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 213 - C_GB1_2 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 219 - C_GB1_2 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 220 - C_GB1_2 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 229 - C_GB1_2 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 230 - C_GB1_2 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 231 - C_GB1_2 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 232 - C_GB1_2 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 239 - C_GB1_2 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 240 - C_GB1_2 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 241 - C_GB1_2 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 247 - C_GB1_2 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 259 - C_GB1_2 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 260 - C_GB1_2 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 261 - C_GB1_2 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 262 - C_GB1_2 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 269 - C_GB1_2 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 270 - C_GB1_2 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 279 - C_GB1_2 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 292 - C_GB1_2 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 298 - C_GB1_2 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 307 - C_GB1_2 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 316 - C_GB1_2 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 324 - C_GB1_2 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 330 - C_GB1_2 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 331 - C_GB1_2 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 332 - C_GB1_2 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 338 - C_GB1_2 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 346 - C_GB1_2 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 352 - C_GB1_2 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 353 - C_GB1_2 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 362 - C_GB1_2 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 377 - C_GB1_2 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 379 - C_GB1_2 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 385 - C_GB1_2 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 398 - C_GB1_2 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 407 - C_GB1_2 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 416 - C_GB1_2 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 422 - C_GB1_2 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 424 + C_GB1_2 CB_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 170 + C_GB1_2 CB_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 176 + C_GB1_2 CG1_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 177 + C_GB1_2 CG2_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 178 + C_GB1_2 CB_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 184 + C_GB1_2 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 193 + C_GB1_2 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 199 + C_GB1_2 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 205 + C_GB1_2 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 207 + C_GB1_2 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 213 + C_GB1_2 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 219 + C_GB1_2 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 220 + C_GB1_2 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 229 + C_GB1_2 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 230 + C_GB1_2 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 231 + C_GB1_2 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 232 + C_GB1_2 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 239 + C_GB1_2 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 240 + C_GB1_2 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 241 + C_GB1_2 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 247 + C_GB1_2 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 259 + C_GB1_2 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 260 + C_GB1_2 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 261 + C_GB1_2 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 262 + C_GB1_2 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 269 + C_GB1_2 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 270 + C_GB1_2 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 279 + C_GB1_2 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 292 + C_GB1_2 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 298 + C_GB1_2 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 307 + C_GB1_2 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 316 + C_GB1_2 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 324 + C_GB1_2 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 330 + C_GB1_2 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 331 + C_GB1_2 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 332 + C_GB1_2 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 338 + C_GB1_2 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 346 + C_GB1_2 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 352 + C_GB1_2 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 353 + C_GB1_2 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 362 + C_GB1_2 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 377 + C_GB1_2 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 379 + C_GB1_2 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 385 + C_GB1_2 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 398 + C_GB1_2 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 407 + C_GB1_2 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 416 + C_GB1_2 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 422 + C_GB1_2 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 424 C_GB1_2 CA_GB1_50 1 1.399588e-02 2.030395e-04 ; 4.938519e-01 2.411903e-01 1.213509e-01 0.000000e+00 0.004395 0.008482 True md_ensemble 7 15 429 C_GB1_2 CB_GB1_50 1 6.481890e-03 3.051592e-05 ; 4.093902e-01 3.442047e-01 8.937486e-01 0.000000e+00 0.004395 0.001132 True md_ensemble 7 15 430 C_GB1_2 CG_GB1_50 1 9.472834e-03 7.519914e-05 ; 4.466378e-01 2.983232e-01 3.672701e-01 0.000000e+00 0.004395 0.001132 True md_ensemble 7 15 431 C_GB1_2 CD_GB1_50 1 3.638614e-03 1.597266e-05 ; 4.046444e-01 2.072214e-01 6.281938e-02 0.000000e+00 0.004395 0.001132 True md_ensemble 7 15 432 C_GB1_2 CE_GB1_50 1 1.963240e-03 6.912854e-06 ; 3.900444e-01 1.393892e-01 1.686879e-02 0.000000e+00 0.004395 0.001132 True md_ensemble 7 15 433 C_GB1_2 O_GB1_50 1 2.190632e-03 7.879490e-06 ; 3.914306e-01 1.522582e-01 2.164784e-02 0.000000e+00 0.004395 0.011584 True md_ensemble 7 15 436 - C_GB1_2 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 440 - C_GB1_2 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 442 - C_GB1_2 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 448 - C_GB1_2 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 460 - C_GB1_2 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 462 - C_GB1_2 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 468 - C_GB1_2 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 469 - C_GB1_2 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 470 - C_GB1_2 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 476 - C_GB1_2 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 478 - C_GB1_2 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 484 - C_GB1_2 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 485 + C_GB1_2 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 440 + C_GB1_2 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 442 + C_GB1_2 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 448 + C_GB1_2 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 460 + C_GB1_2 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 462 + C_GB1_2 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 468 + C_GB1_2 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 469 + C_GB1_2 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 470 + C_GB1_2 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 476 + C_GB1_2 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 478 + C_GB1_2 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 484 + C_GB1_2 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 15 485 O_GB1_2 O_GB1_2 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 16 16 O_GB1_2 H_GB1_3 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 16 18 - O_GB1_2 CB_GB1_3 1 0.000000e+00 2.015566e-06 ; 2.986722e-01 -2.015566e-06 1.000000e+00 9.999554e-01 0.004395 0.001132 True md_ensemble 4 16 20 - O_GB1_2 CG_GB1_3 1 0.000000e+00 5.075990e-07 ; 2.662493e-01 -5.075990e-07 8.181136e-01 4.319396e-01 0.004395 0.001132 True md_ensemble 5 16 21 - O_GB1_2 CD1_GB1_3 1 0.000000e+00 6.801942e-07 ; 2.728231e-01 -6.801942e-07 4.217491e-01 2.442899e-01 0.004395 0.001132 True md_ensemble 6 16 22 - O_GB1_2 CD2_GB1_3 1 0.000000e+00 6.801942e-07 ; 2.728231e-01 -6.801942e-07 4.217491e-01 2.442899e-01 0.004395 0.001132 True md_ensemble 6 16 23 + O_GB1_2 CB_GB1_3 1 0.000000e+00 2.015559e-06 ; 2.986721e-01 -2.015559e-06 1.000000e+00 9.999554e-01 0.004395 0.001132 True md_ensemble 4 16 20 + O_GB1_2 CG_GB1_3 1 0.000000e+00 5.075967e-07 ; 2.662492e-01 -5.075967e-07 8.181136e-01 4.319396e-01 0.004395 0.001132 True md_ensemble 5 16 21 + O_GB1_2 CD1_GB1_3 1 0.000000e+00 6.801911e-07 ; 2.728230e-01 -6.801911e-07 4.217491e-01 2.442899e-01 0.004395 0.001132 True md_ensemble 6 16 22 + O_GB1_2 CD2_GB1_3 1 0.000000e+00 6.801911e-07 ; 2.728230e-01 -6.801911e-07 4.217491e-01 2.442899e-01 0.004395 0.001132 True md_ensemble 6 16 23 O_GB1_2 CE1_GB1_3 1 1.144810e-03 3.284616e-06 ; 3.769571e-01 9.975208e-02 2.812883e-02 5.480519e-02 0.004395 0.015244 True md_ensemble 7 16 24 O_GB1_2 CE2_GB1_3 1 1.144810e-03 3.284616e-06 ; 3.769571e-01 9.975208e-02 2.812883e-02 5.480519e-02 0.004395 0.015244 True md_ensemble 7 16 25 - O_GB1_2 C_GB1_3 1 0.000000e+00 8.203513e-07 ; 2.771160e-01 -8.203513e-07 1.000000e+00 9.920290e-01 0.004395 0.001132 True md_ensemble 4 16 28 + O_GB1_2 C_GB1_3 1 0.000000e+00 8.203475e-07 ; 2.771159e-01 -8.203475e-07 1.000000e+00 9.920290e-01 0.004395 0.001132 True md_ensemble 4 16 28 O_GB1_2 O_GB1_3 1 0.000000e+00 1.198734e-06 ; 2.860148e-01 -1.198734e-06 9.829484e-01 7.821046e-01 0.004395 0.001132 True md_ensemble 5 16 29 O_GB1_2 N_GB1_4 1 0.000000e+00 1.305633e-06 ; 2.880581e-01 -1.305633e-06 9.674119e-01 8.378342e-01 0.004395 0.001132 True md_ensemble 5 16 30 O_GB1_2 H_GB1_4 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 16 31 - O_GB1_2 CA_GB1_4 1 0.000000e+00 5.230452e-06 ; 3.233751e-01 -5.230452e-06 2.114632e-01 4.707527e-01 0.004395 0.001132 True md_ensemble 6 16 32 - O_GB1_2 CB_GB1_4 1 0.000000e+00 2.178908e-06 ; 3.006179e-01 -2.178908e-06 3.330171e-02 1.142935e-01 0.004395 0.007862 True md_ensemble 7 16 33 - O_GB1_2 CG_GB1_4 1 0.000000e+00 2.271622e-06 ; 3.016637e-01 -2.271622e-06 2.430028e-02 1.512893e-01 0.004395 0.007862 True md_ensemble 7 16 34 - O_GB1_2 CD_GB1_4 1 0.000000e+00 2.104356e-06 ; 2.997471e-01 -2.104356e-06 1.008989e-02 5.409537e-02 0.004395 0.007862 True md_ensemble 7 16 35 - O_GB1_2 CE_GB1_4 1 0.000000e+00 2.080673e-06 ; 2.994645e-01 -2.080673e-06 8.882675e-03 4.113831e-02 0.004395 0.007862 True md_ensemble 7 16 36 + O_GB1_2 CA_GB1_4 1 0.000000e+00 5.230494e-06 ; 3.233753e-01 -5.230494e-06 2.114632e-01 4.707527e-01 0.004395 0.001132 True md_ensemble 6 16 32 + O_GB1_2 CB_GB1_4 1 0.000000e+00 2.178900e-06 ; 3.006179e-01 -2.178900e-06 3.330171e-02 1.142935e-01 0.004395 0.007862 True md_ensemble 7 16 33 + O_GB1_2 CG_GB1_4 1 0.000000e+00 2.271614e-06 ; 3.016636e-01 -2.271614e-06 2.430028e-02 1.512893e-01 0.004395 0.007862 True md_ensemble 7 16 34 + O_GB1_2 CD_GB1_4 1 0.000000e+00 2.104348e-06 ; 2.997470e-01 -2.104348e-06 1.008989e-02 5.409537e-02 0.004395 0.007862 True md_ensemble 7 16 35 + O_GB1_2 CE_GB1_4 1 0.000000e+00 2.080665e-06 ; 2.994644e-01 -2.080665e-06 8.882675e-03 4.113831e-02 0.004395 0.007862 True md_ensemble 7 16 36 O_GB1_2 O_GB1_4 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 16 39 O_GB1_2 H_GB1_5 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 16 41 O_GB1_2 CB_GB1_5 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 8.131491e-02 0.004395 0.007862 True md_ensemble 7 16 43 @@ -3431,67 +3431,67 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 O_GB1_2 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 16 488 O_GB1_2 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 16 490 O_GB1_2 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 16 491 - N_GB1_3 CB_GB1_3 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 20 - N_GB1_3 CD1_GB1_3 1 0.000000e+00 1.346583e-06 ; 2.888004e-01 -1.346583e-06 1.000000e+00 8.928717e-01 0.004395 0.001132 True md_ensemble 4 17 22 - N_GB1_3 CD2_GB1_3 1 0.000000e+00 1.346583e-06 ; 2.888004e-01 -1.346583e-06 1.000000e+00 8.928717e-01 0.004395 0.001132 True md_ensemble 4 17 23 - N_GB1_3 CE1_GB1_3 1 0.000000e+00 7.074569e-07 ; 2.737180e-01 -7.074569e-07 8.669751e-01 3.360647e-01 0.004395 0.001132 True md_ensemble 5 17 24 - N_GB1_3 CE2_GB1_3 1 0.000000e+00 7.074569e-07 ; 2.737180e-01 -7.074569e-07 8.669751e-01 3.360647e-01 0.004395 0.001132 True md_ensemble 5 17 25 + N_GB1_3 CB_GB1_3 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 20 + N_GB1_3 CD1_GB1_3 1 0.000000e+00 1.346564e-06 ; 2.888000e-01 -1.346564e-06 1.000000e+00 8.928717e-01 0.004395 0.001132 True md_ensemble 4 17 22 + N_GB1_3 CD2_GB1_3 1 0.000000e+00 1.346564e-06 ; 2.888000e-01 -1.346564e-06 1.000000e+00 8.928717e-01 0.004395 0.001132 True md_ensemble 4 17 23 + N_GB1_3 CE1_GB1_3 1 0.000000e+00 7.074469e-07 ; 2.737177e-01 -7.074469e-07 8.669751e-01 3.360647e-01 0.004395 0.001132 True md_ensemble 5 17 24 + N_GB1_3 CE2_GB1_3 1 0.000000e+00 7.074469e-07 ; 2.737177e-01 -7.074469e-07 8.669751e-01 3.360647e-01 0.004395 0.001132 True md_ensemble 5 17 25 N_GB1_3 CZ_GB1_3 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 2.196405e-03 3.410517e-02 0.004395 0.001132 True md_ensemble 6 17 26 - N_GB1_3 CA_GB1_4 1 0.000000e+00 7.574360e-06 ; 3.335087e-01 -7.574360e-06 9.999945e-01 9.999107e-01 0.004395 0.001132 True md_ensemble 4 17 32 - N_GB1_3 CB_GB1_4 1 0.000000e+00 4.605159e-06 ; 3.199622e-01 -4.605159e-06 1.274172e-02 2.654776e-01 0.004395 0.001132 True md_ensemble 5 17 33 - N_GB1_3 CG_GB1_4 1 0.000000e+00 4.186536e-06 ; 3.174312e-01 -4.186536e-06 1.676537e-02 1.556235e-01 0.004395 0.001132 True md_ensemble 6 17 34 - N_GB1_3 CD_GB1_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 35 - N_GB1_3 CE_GB1_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 36 + N_GB1_3 CA_GB1_4 1 0.000000e+00 7.574348e-06 ; 3.335087e-01 -7.574348e-06 9.999945e-01 9.999107e-01 0.004395 0.001132 True md_ensemble 4 17 32 + N_GB1_3 CB_GB1_4 1 0.000000e+00 4.605099e-06 ; 3.199619e-01 -4.605099e-06 1.274172e-02 2.654776e-01 0.004395 0.001132 True md_ensemble 5 17 33 + N_GB1_3 CG_GB1_4 1 0.000000e+00 4.186480e-06 ; 3.174308e-01 -4.186480e-06 1.676537e-02 1.556235e-01 0.004395 0.001132 True md_ensemble 6 17 34 + N_GB1_3 CD_GB1_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 35 + N_GB1_3 CE_GB1_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 36 N_GB1_3 NZ_GB1_4 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 8.700000e-06 1.634037e-03 0.004395 0.001132 True md_ensemble 7 17 37 N_GB1_3 C_GB1_4 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 0.000000e+00 5.392882e-02 0.004395 0.001132 True md_ensemble 5 17 38 N_GB1_3 O_GB1_4 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 0.000000e+00 6.611051e-02 0.004395 0.001132 True md_ensemble 6 17 39 N_GB1_3 N_GB1_5 1 0.000000e+00 8.752940e-07 ; 2.786171e-01 -8.752940e-07 0.000000e+00 5.874476e-02 0.004395 0.001132 True md_ensemble 6 17 40 - N_GB1_3 CB_GB1_5 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 43 - N_GB1_3 CG_GB1_5 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 44 - N_GB1_3 CD1_GB1_5 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 45 - N_GB1_3 CD2_GB1_5 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 46 + N_GB1_3 CB_GB1_5 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 43 + N_GB1_3 CG_GB1_5 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 44 + N_GB1_3 CD1_GB1_5 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 45 + N_GB1_3 CD2_GB1_5 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 46 N_GB1_3 N_GB1_6 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.355794e-04 0.004395 0.001132 True md_ensemble 7 17 49 - N_GB1_3 CB_GB1_6 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 52 - N_GB1_3 CG1_GB1_6 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 53 - N_GB1_3 CG2_GB1_6 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 54 - N_GB1_3 CD_GB1_6 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 55 + N_GB1_3 CB_GB1_6 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 52 + N_GB1_3 CG1_GB1_6 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 53 + N_GB1_3 CG2_GB1_6 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 54 + N_GB1_3 CD_GB1_6 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 55 N_GB1_3 N_GB1_7 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 58 - N_GB1_3 CB_GB1_7 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 61 - N_GB1_3 CG_GB1_7 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 62 - N_GB1_3 CD1_GB1_7 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 63 - N_GB1_3 CD2_GB1_7 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 64 + N_GB1_3 CB_GB1_7 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 61 + N_GB1_3 CG_GB1_7 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 62 + N_GB1_3 CD1_GB1_7 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 63 + N_GB1_3 CD2_GB1_7 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 64 N_GB1_3 N_GB1_8 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 67 - N_GB1_3 CB_GB1_8 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 70 + N_GB1_3 CB_GB1_8 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 70 N_GB1_3 N_GB1_9 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 3.365134e-07 0.004395 0.001132 True md_ensemble 7 17 76 - N_GB1_3 CA_GB1_9 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 78 + N_GB1_3 CA_GB1_9 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 78 N_GB1_3 N_GB1_10 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.079017e-04 0.004395 0.001132 True md_ensemble 7 17 81 - N_GB1_3 CB_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 84 - N_GB1_3 CG_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 85 - N_GB1_3 CD_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 86 - N_GB1_3 CE_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 87 + N_GB1_3 CB_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 84 + N_GB1_3 CG_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 85 + N_GB1_3 CD_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 86 + N_GB1_3 CE_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 87 N_GB1_3 NZ_GB1_10 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.426052e-04 0.004395 0.001132 True md_ensemble 7 17 88 N_GB1_3 N_GB1_11 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 91 - N_GB1_3 CB_GB1_11 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 94 - N_GB1_3 CG2_GB1_11 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 96 + N_GB1_3 CB_GB1_11 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 94 + N_GB1_3 CG2_GB1_11 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 96 N_GB1_3 N_GB1_12 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 99 - N_GB1_3 CB_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 102 - N_GB1_3 CG_GB1_12 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 103 - N_GB1_3 CD1_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 104 - N_GB1_3 CD2_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 105 + N_GB1_3 CB_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 102 + N_GB1_3 CG_GB1_12 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 103 + N_GB1_3 CD1_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 104 + N_GB1_3 CD2_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 105 N_GB1_3 N_GB1_13 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 108 - N_GB1_3 CB_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 111 - N_GB1_3 CG_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 112 - N_GB1_3 CD_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 113 - N_GB1_3 CE_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 114 + N_GB1_3 CB_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 111 + N_GB1_3 CG_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 112 + N_GB1_3 CD_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 113 + N_GB1_3 CE_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 114 N_GB1_3 NZ_GB1_13 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 5.152838e-04 0.004395 0.001132 True md_ensemble 7 17 115 N_GB1_3 N_GB1_14 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 118 - N_GB1_3 CA_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 120 + N_GB1_3 CA_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 120 N_GB1_3 N_GB1_15 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 123 - N_GB1_3 CB_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 126 - N_GB1_3 CG_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 127 + N_GB1_3 CB_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 126 + N_GB1_3 CG_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 127 N_GB1_3 N_GB1_16 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 133 - N_GB1_3 CB_GB1_16 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 136 - N_GB1_3 CG2_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 138 + N_GB1_3 CB_GB1_16 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 136 + N_GB1_3 CG2_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 138 N_GB1_3 N_GB1_17 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 141 N_GB1_3 CA_GB1_17 1 9.421144e-03 1.096600e-04 ; 4.760553e-01 2.023482e-01 5.715715e-02 1.402843e-04 0.004395 0.008482 True md_ensemble 7 17 143 N_GB1_3 CB_GB1_17 1 1.177859e-02 1.212476e-04 ; 4.664051e-01 2.860578e-01 2.895584e-01 3.998902e-04 0.004395 0.001132 True md_ensemble 7 17 144 @@ -3505,116 +3505,116 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 N_GB1_3 O_GB1_18 1 3.442117e-04 8.462984e-08 ; 2.502935e-01 3.499998e-01 9.999963e-01 0.000000e+00 0.004395 0.011584 True md_ensemble 7 17 156 N_GB1_3 N_GB1_19 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 3.176300e-03 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 157 N_GB1_3 CA_GB1_19 1 1.060989e-02 8.163056e-05 ; 4.443144e-01 3.447535e-01 9.033061e-01 0.000000e+00 0.004395 0.008482 True md_ensemble 7 17 159 - N_GB1_3 CB_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 160 - N_GB1_3 CG_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 161 + N_GB1_3 CB_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 160 + N_GB1_3 CG_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 161 N_GB1_3 N_GB1_20 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 4.075525e-04 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 167 - N_GB1_3 CB_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 170 + N_GB1_3 CB_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 170 N_GB1_3 N_GB1_21 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 173 - N_GB1_3 CB_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 176 - N_GB1_3 CG1_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 177 - N_GB1_3 CG2_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 178 + N_GB1_3 CB_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 176 + N_GB1_3 CG1_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 177 + N_GB1_3 CG2_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 178 N_GB1_3 N_GB1_22 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 181 - N_GB1_3 CB_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 184 + N_GB1_3 CB_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 184 N_GB1_3 N_GB1_23 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 190 - N_GB1_3 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 193 + N_GB1_3 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 193 N_GB1_3 N_GB1_24 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 196 - N_GB1_3 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 199 + N_GB1_3 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 199 N_GB1_3 N_GB1_25 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 202 - N_GB1_3 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 205 - N_GB1_3 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 207 + N_GB1_3 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 205 + N_GB1_3 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 207 N_GB1_3 N_GB1_26 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 210 - N_GB1_3 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 213 + N_GB1_3 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 213 N_GB1_3 N_GB1_27 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 216 - N_GB1_3 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 219 - N_GB1_3 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 220 + N_GB1_3 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 219 + N_GB1_3 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 220 N_GB1_3 N_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 226 - N_GB1_3 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 229 - N_GB1_3 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 230 - N_GB1_3 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 231 - N_GB1_3 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 232 + N_GB1_3 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 229 + N_GB1_3 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 230 + N_GB1_3 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 231 + N_GB1_3 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 232 N_GB1_3 NZ_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 233 N_GB1_3 N_GB1_29 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 236 - N_GB1_3 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 239 - N_GB1_3 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 240 - N_GB1_3 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 241 + N_GB1_3 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 239 + N_GB1_3 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 240 + N_GB1_3 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 241 N_GB1_3 N_GB1_30 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 244 - N_GB1_3 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 247 + N_GB1_3 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 247 N_GB1_3 N_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 256 - N_GB1_3 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 259 - N_GB1_3 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 260 - N_GB1_3 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 261 - N_GB1_3 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 262 + N_GB1_3 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 259 + N_GB1_3 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 260 + N_GB1_3 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 261 + N_GB1_3 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 262 N_GB1_3 NZ_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 2.694631e-05 0.004395 0.001132 True md_ensemble 7 17 263 N_GB1_3 N_GB1_32 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 266 - N_GB1_3 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 269 - N_GB1_3 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 270 + N_GB1_3 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 269 + N_GB1_3 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 270 N_GB1_3 N_GB1_33 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 276 - N_GB1_3 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 279 + N_GB1_3 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 279 N_GB1_3 N_GB1_34 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 289 - N_GB1_3 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 292 + N_GB1_3 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 292 N_GB1_3 N_GB1_35 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 295 - N_GB1_3 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 298 + N_GB1_3 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 298 N_GB1_3 N_GB1_36 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 304 - N_GB1_3 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 307 + N_GB1_3 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 307 N_GB1_3 N_GB1_37 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 313 - N_GB1_3 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 316 + N_GB1_3 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 316 N_GB1_3 N_GB1_38 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 322 - N_GB1_3 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 324 + N_GB1_3 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 324 N_GB1_3 N_GB1_39 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 327 - N_GB1_3 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 330 - N_GB1_3 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 331 - N_GB1_3 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 332 + N_GB1_3 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 330 + N_GB1_3 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 331 + N_GB1_3 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 332 N_GB1_3 N_GB1_40 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 335 - N_GB1_3 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 338 + N_GB1_3 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 338 N_GB1_3 N_GB1_41 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 344 - N_GB1_3 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 346 + N_GB1_3 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 346 N_GB1_3 N_GB1_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 349 - N_GB1_3 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 352 - N_GB1_3 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 353 + N_GB1_3 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 352 + N_GB1_3 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 353 N_GB1_3 N_GB1_43 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 359 - N_GB1_3 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 362 + N_GB1_3 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 362 N_GB1_3 N_GB1_44 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 374 - N_GB1_3 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 377 - N_GB1_3 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 379 + N_GB1_3 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 377 + N_GB1_3 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 379 N_GB1_3 N_GB1_45 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 382 - N_GB1_3 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 385 + N_GB1_3 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 385 N_GB1_3 N_GB1_46 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 395 - N_GB1_3 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 398 + N_GB1_3 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 398 N_GB1_3 N_GB1_47 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 404 - N_GB1_3 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 407 + N_GB1_3 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 407 N_GB1_3 N_GB1_48 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 413 - N_GB1_3 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 416 + N_GB1_3 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 416 N_GB1_3 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 419 - N_GB1_3 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 422 - N_GB1_3 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 424 + N_GB1_3 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 422 + N_GB1_3 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 424 N_GB1_3 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 427 N_GB1_3 CB_GB1_50 1 7.477794e-03 4.371317e-05 ; 4.244304e-01 3.197972e-01 5.568702e-01 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 430 N_GB1_3 CG_GB1_50 1 2.852162e-03 2.213745e-05 ; 4.449647e-01 9.186726e-02 6.714985e-03 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 431 N_GB1_3 CD_GB1_50 1 3.167475e-03 2.120902e-05 ; 4.341447e-01 1.182622e-01 1.120049e-02 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 432 - N_GB1_3 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 433 + N_GB1_3 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 433 N_GB1_3 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 5.100000e-07 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 434 N_GB1_3 O_GB1_50 1 5.416813e-03 2.342548e-05 ; 4.036368e-01 3.131405e-01 4.894609e-01 9.985141e-05 0.004395 0.011584 True md_ensemble 7 17 436 N_GB1_3 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 437 - N_GB1_3 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 440 - N_GB1_3 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 442 + N_GB1_3 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 440 + N_GB1_3 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 442 N_GB1_3 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 445 - N_GB1_3 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 448 + N_GB1_3 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 448 N_GB1_3 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 457 - N_GB1_3 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 460 - N_GB1_3 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 462 + N_GB1_3 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 460 + N_GB1_3 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 462 N_GB1_3 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 465 - N_GB1_3 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 468 - N_GB1_3 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 469 - N_GB1_3 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 470 + N_GB1_3 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 468 + N_GB1_3 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 469 + N_GB1_3 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 470 N_GB1_3 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 473 - N_GB1_3 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 476 - N_GB1_3 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 478 + N_GB1_3 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 476 + N_GB1_3 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 478 N_GB1_3 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 17 481 - N_GB1_3 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 484 - N_GB1_3 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 485 + N_GB1_3 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 484 + N_GB1_3 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 17 485 H_GB1_3 H_GB1_3 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 18 18 H_GB1_3 OH_GB1_3 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 18 27 - H_GB1_3 O_GB1_3 1 0.000000e+00 7.446921e-09 ; 1.872807e-01 -7.446921e-09 9.866808e-01 4.666257e-01 0.004395 0.001132 True md_ensemble 4 18 29 + H_GB1_3 O_GB1_3 1 0.000000e+00 7.447039e-09 ; 1.872810e-01 -7.447039e-09 9.866808e-01 4.666257e-01 0.004395 0.001132 True md_ensemble 4 18 29 H_GB1_3 H_GB1_4 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 18 31 H_GB1_3 O_GB1_4 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 18 39 H_GB1_3 H_GB1_5 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 18 41 @@ -3758,17 +3758,17 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 H_GB1_3 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 18 488 H_GB1_3 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 18 490 H_GB1_3 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 18 491 - CA_GB1_3 CE1_GB1_3 1 0.000000e+00 1.305162e-05 ; 3.489799e-01 -1.305162e-05 1.000000e+00 9.999814e-01 0.004395 0.001132 True md_ensemble 4 19 24 - CA_GB1_3 CE2_GB1_3 1 0.000000e+00 1.305162e-05 ; 3.489799e-01 -1.305162e-05 1.000000e+00 9.999814e-01 0.004395 0.001132 True md_ensemble 4 19 25 - CA_GB1_3 CZ_GB1_3 1 0.000000e+00 1.304513e-05 ; 3.489654e-01 -1.304513e-05 1.000000e+00 9.994839e-01 0.004395 0.001132 True md_ensemble 5 19 26 + CA_GB1_3 CE1_GB1_3 1 0.000000e+00 1.305155e-05 ; 3.489797e-01 -1.305155e-05 1.000000e+00 9.999814e-01 0.004395 0.001132 True md_ensemble 4 19 24 + CA_GB1_3 CE2_GB1_3 1 0.000000e+00 1.305155e-05 ; 3.489797e-01 -1.305155e-05 1.000000e+00 9.999814e-01 0.004395 0.001132 True md_ensemble 4 19 25 + CA_GB1_3 CZ_GB1_3 1 0.000000e+00 1.304506e-05 ; 3.489652e-01 -1.304506e-05 1.000000e+00 9.994839e-01 0.004395 0.001132 True md_ensemble 5 19 26 CA_GB1_3 OH_GB1_3 1 0.000000e+00 5.735738e-06 ; 3.258698e-01 -5.735738e-06 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 6 19 27 - CA_GB1_3 CB_GB1_4 1 0.000000e+00 3.181358e-05 ; 3.758773e-01 -3.181358e-05 1.000000e+00 9.999976e-01 0.004395 0.001132 True md_ensemble 4 19 33 - CA_GB1_3 CG_GB1_4 1 0.000000e+00 4.151098e-05 ; 3.843043e-01 -4.151098e-05 5.527763e-01 8.575929e-01 0.004395 0.001132 True md_ensemble 5 19 34 - CA_GB1_3 CD_GB1_4 1 0.000000e+00 3.987481e-05 ; 3.830186e-01 -3.987481e-05 3.274931e-02 2.861359e-01 0.004395 0.001132 True md_ensemble 6 19 35 - CA_GB1_3 CE_GB1_4 1 0.000000e+00 3.411864e-05 ; 3.780747e-01 -3.411864e-05 1.036017e-02 8.281279e-02 0.004395 0.007117 True md_ensemble 7 19 36 - CA_GB1_3 C_GB1_4 1 0.000000e+00 1.305192e-05 ; 3.489805e-01 -1.305192e-05 9.999955e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 19 38 - CA_GB1_3 O_GB1_4 1 0.000000e+00 1.605438e-06 ; 2.930631e-01 -1.605438e-06 9.073364e-01 2.938634e-01 0.004395 0.001132 True md_ensemble 5 19 39 - CA_GB1_3 N_GB1_5 1 0.000000e+00 1.335239e-05 ; 3.496431e-01 -1.335239e-05 1.007920e-02 7.727719e-01 0.004395 0.001132 True md_ensemble 5 19 40 + CA_GB1_3 CB_GB1_4 1 0.000000e+00 3.181344e-05 ; 3.758771e-01 -3.181344e-05 1.000000e+00 9.999976e-01 0.004395 0.001132 True md_ensemble 4 19 33 + CA_GB1_3 CG_GB1_4 1 0.000000e+00 4.151081e-05 ; 3.843042e-01 -4.151081e-05 5.527763e-01 8.575929e-01 0.004395 0.001132 True md_ensemble 5 19 34 + CA_GB1_3 CD_GB1_4 1 0.000000e+00 3.987464e-05 ; 3.830185e-01 -3.987464e-05 3.274931e-02 2.861359e-01 0.004395 0.001132 True md_ensemble 6 19 35 + CA_GB1_3 CE_GB1_4 1 0.000000e+00 3.411849e-05 ; 3.780746e-01 -3.411849e-05 1.036017e-02 8.281279e-02 0.004395 0.007117 True md_ensemble 7 19 36 + CA_GB1_3 C_GB1_4 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 9.999955e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 19 38 + CA_GB1_3 O_GB1_4 1 0.000000e+00 1.605451e-06 ; 2.930633e-01 -1.605451e-06 9.073364e-01 2.938634e-01 0.004395 0.001132 True md_ensemble 5 19 39 + CA_GB1_3 N_GB1_5 1 0.000000e+00 1.335237e-05 ; 3.496430e-01 -1.335237e-05 1.007920e-02 7.727719e-01 0.004395 0.001132 True md_ensemble 5 19 40 CA_GB1_3 CA_GB1_5 1 0.000000e+00 6.555574e-05 ; 3.992202e-01 -6.555574e-05 1.500147e-03 7.538744e-01 0.004395 0.001132 True md_ensemble 6 19 42 CA_GB1_3 CA_GB1_17 1 2.352559e-02 3.953288e-04 ; 5.061000e-01 3.499958e-01 9.999177e-01 4.029811e-04 0.004395 0.006476 True md_ensemble 7 19 143 CA_GB1_3 CB_GB1_17 1 2.586406e-02 4.795752e-04 ; 5.144700e-01 3.487197e-01 9.754901e-01 1.720882e-03 0.004395 0.006476 True md_ensemble 7 19 144 @@ -3805,264 +3805,264 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CA_GB1_3 CD2_GB1_52 1 1.537615e-02 2.018254e-04 ; 4.856850e-01 2.928595e-01 3.303639e-01 1.998780e-04 0.004395 0.010759 True md_ensemble 7 19 451 CA_GB1_3 CE1_GB1_52 1 1.435219e-02 1.691890e-04 ; 4.770629e-01 3.043718e-01 4.129555e-01 4.948489e-04 0.004395 0.010759 True md_ensemble 7 19 452 CA_GB1_3 CE2_GB1_52 1 1.435219e-02 1.691890e-04 ; 4.770629e-01 3.043718e-01 4.129555e-01 4.948489e-04 0.004395 0.010759 True md_ensemble 7 19 453 - CB_GB1_3 CZ_GB1_3 1 0.000000e+00 6.333960e-06 ; 3.285751e-01 -6.333960e-06 1.000000e+00 9.999999e-01 0.004395 0.001132 True md_ensemble 4 20 26 - CB_GB1_3 OH_GB1_3 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 27 - CB_GB1_3 C_GB1_3 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 28 + CB_GB1_3 CZ_GB1_3 1 0.000000e+00 6.333854e-06 ; 3.285746e-01 -6.333854e-06 1.000000e+00 9.999999e-01 0.004395 0.001132 True md_ensemble 4 20 26 + CB_GB1_3 OH_GB1_3 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 27 + CB_GB1_3 C_GB1_3 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 28 CB_GB1_3 O_GB1_3 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 29 - CB_GB1_3 N_GB1_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 30 - CB_GB1_3 CA_GB1_4 1 0.000000e+00 3.181365e-05 ; 3.758773e-01 -3.181365e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 20 32 - CB_GB1_3 CB_GB1_4 1 0.000000e+00 1.484059e-05 ; 3.527356e-01 -1.484059e-05 6.095896e-01 5.708361e-01 0.004395 0.001132 True md_ensemble 5 20 33 - CB_GB1_3 CG_GB1_4 1 0.000000e+00 1.908891e-05 ; 3.602136e-01 -1.908891e-05 6.627770e-03 2.430441e-01 0.004395 0.001132 True md_ensemble 6 20 34 - CB_GB1_3 NZ_GB1_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 37 - CB_GB1_3 C_GB1_4 1 0.000000e+00 3.789979e-06 ; 3.148097e-01 -3.789979e-06 9.250525e-01 5.234110e-01 0.004395 0.001132 True md_ensemble 5 20 38 - CB_GB1_3 O_GB1_4 1 0.000000e+00 1.843719e-06 ; 2.964624e-01 -1.843719e-06 1.818246e-01 9.652383e-02 0.004395 0.001132 True md_ensemble 6 20 39 - CB_GB1_3 N_GB1_5 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 40 - CB_GB1_3 C_GB1_5 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 47 + CB_GB1_3 N_GB1_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 30 + CB_GB1_3 CA_GB1_4 1 0.000000e+00 3.181352e-05 ; 3.758772e-01 -3.181352e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 20 32 + CB_GB1_3 CB_GB1_4 1 0.000000e+00 1.484035e-05 ; 3.527351e-01 -1.484035e-05 6.095896e-01 5.708361e-01 0.004395 0.001132 True md_ensemble 5 20 33 + CB_GB1_3 CG_GB1_4 1 0.000000e+00 1.908861e-05 ; 3.602131e-01 -1.908861e-05 6.627770e-03 2.430441e-01 0.004395 0.001132 True md_ensemble 6 20 34 + CB_GB1_3 NZ_GB1_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 37 + CB_GB1_3 C_GB1_4 1 0.000000e+00 3.789916e-06 ; 3.148092e-01 -3.789916e-06 9.250525e-01 5.234110e-01 0.004395 0.001132 True md_ensemble 5 20 38 + CB_GB1_3 O_GB1_4 1 0.000000e+00 1.843712e-06 ; 2.964623e-01 -1.843712e-06 1.818246e-01 9.652383e-02 0.004395 0.001132 True md_ensemble 6 20 39 + CB_GB1_3 N_GB1_5 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 40 + CB_GB1_3 C_GB1_5 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 47 CB_GB1_3 O_GB1_5 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.590377e-01 0.004395 0.007862 True md_ensemble 7 20 48 - CB_GB1_3 N_GB1_6 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 49 - CB_GB1_3 C_GB1_6 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 56 + CB_GB1_3 N_GB1_6 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 49 + CB_GB1_3 C_GB1_6 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 56 CB_GB1_3 O_GB1_6 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.586580e-02 0.004395 0.007862 True md_ensemble 7 20 57 - CB_GB1_3 N_GB1_7 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 58 - CB_GB1_3 C_GB1_7 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 65 + CB_GB1_3 N_GB1_7 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 58 + CB_GB1_3 C_GB1_7 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 65 CB_GB1_3 O_GB1_7 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.492140e-03 0.004395 0.007862 True md_ensemble 7 20 66 - CB_GB1_3 N_GB1_8 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 67 - CB_GB1_3 CG_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 71 + CB_GB1_3 N_GB1_8 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 67 + CB_GB1_3 CG_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 71 CB_GB1_3 OD1_GB1_8 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.259870e-03 0.004395 0.007862 True md_ensemble 7 20 72 - CB_GB1_3 ND2_GB1_8 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 73 - CB_GB1_3 C_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 74 + CB_GB1_3 ND2_GB1_8 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 73 + CB_GB1_3 C_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 74 CB_GB1_3 O_GB1_8 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.956419e-03 0.004395 0.007862 True md_ensemble 7 20 75 - CB_GB1_3 N_GB1_9 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 76 - CB_GB1_3 C_GB1_9 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 79 + CB_GB1_3 N_GB1_9 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 76 + CB_GB1_3 C_GB1_9 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 79 CB_GB1_3 O_GB1_9 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.039136e-03 0.004395 0.007862 True md_ensemble 7 20 80 - CB_GB1_3 N_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 81 - CB_GB1_3 NZ_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 88 - CB_GB1_3 C_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 89 + CB_GB1_3 N_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 81 + CB_GB1_3 NZ_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 88 + CB_GB1_3 C_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 89 CB_GB1_3 O_GB1_10 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.003817e-03 0.004395 0.007862 True md_ensemble 7 20 90 - CB_GB1_3 N_GB1_11 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 91 - CB_GB1_3 OG1_GB1_11 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 95 - CB_GB1_3 C_GB1_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 97 + CB_GB1_3 N_GB1_11 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 91 + CB_GB1_3 OG1_GB1_11 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 95 + CB_GB1_3 C_GB1_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 97 CB_GB1_3 O_GB1_11 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.350018e-04 0.004395 0.007862 True md_ensemble 7 20 98 - CB_GB1_3 N_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 99 - CB_GB1_3 C_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 106 + CB_GB1_3 N_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 99 + CB_GB1_3 C_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 106 CB_GB1_3 O_GB1_12 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.386279e-04 0.004395 0.007862 True md_ensemble 7 20 107 - CB_GB1_3 N_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 108 - CB_GB1_3 NZ_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 115 - CB_GB1_3 C_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 116 + CB_GB1_3 N_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 108 + CB_GB1_3 NZ_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 115 + CB_GB1_3 C_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 116 CB_GB1_3 O_GB1_13 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.564506e-04 0.004395 0.007862 True md_ensemble 7 20 117 - CB_GB1_3 N_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 118 - CB_GB1_3 C_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 121 + CB_GB1_3 N_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 118 + CB_GB1_3 C_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 121 CB_GB1_3 O_GB1_14 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 8.865228e-04 0.004395 0.007862 True md_ensemble 7 20 122 - CB_GB1_3 N_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 123 - CB_GB1_3 CD_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 128 - CB_GB1_3 OE1_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 129 - CB_GB1_3 OE2_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 130 - CB_GB1_3 C_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 131 + CB_GB1_3 N_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 123 + CB_GB1_3 CD_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 128 + CB_GB1_3 OE1_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 129 + CB_GB1_3 OE2_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 130 + CB_GB1_3 C_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 131 CB_GB1_3 O_GB1_15 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.999211e-04 0.004395 0.007862 True md_ensemble 7 20 132 - CB_GB1_3 N_GB1_16 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 133 - CB_GB1_3 OG1_GB1_16 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 137 - CB_GB1_3 C_GB1_16 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 139 + CB_GB1_3 N_GB1_16 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 133 + CB_GB1_3 OG1_GB1_16 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 137 + CB_GB1_3 C_GB1_16 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 139 CB_GB1_3 O_GB1_16 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.049584e-04 0.004395 0.007862 True md_ensemble 7 20 140 - CB_GB1_3 N_GB1_17 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 141 + CB_GB1_3 N_GB1_17 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 141 CB_GB1_3 CA_GB1_17 1 2.446167e-02 5.699631e-04 ; 5.344332e-01 2.624614e-01 1.832746e-01 6.048199e-04 0.004395 0.007117 True md_ensemble 7 20 143 CB_GB1_3 CB_GB1_17 1 9.810023e-03 2.406939e-04 ; 5.390543e-01 9.995739e-02 7.855025e-03 1.472326e-03 0.004395 0.007117 True md_ensemble 7 20 144 - CB_GB1_3 OG1_GB1_17 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 145 - CB_GB1_3 C_GB1_17 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 147 + CB_GB1_3 OG1_GB1_17 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 145 + CB_GB1_3 C_GB1_17 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 147 CB_GB1_3 O_GB1_17 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000443e-04 0.004395 0.007862 True md_ensemble 7 20 148 CB_GB1_3 N_GB1_18 1 8.317828e-03 5.408955e-05 ; 4.320333e-01 3.197765e-01 5.566459e-01 0.000000e+00 0.004395 0.001132 True md_ensemble 7 20 149 CB_GB1_3 CA_GB1_18 1 1.540982e-02 1.697889e-04 ; 4.717211e-01 3.496439e-01 9.931215e-01 6.910137e-04 0.004395 0.007117 True md_ensemble 7 20 151 CB_GB1_3 CB_GB1_18 1 1.597520e-02 1.837309e-04 ; 4.751047e-01 3.472564e-01 9.482100e-01 1.352415e-03 0.004395 0.007117 True md_ensemble 7 20 152 - CB_GB1_3 OG1_GB1_18 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 153 + CB_GB1_3 OG1_GB1_18 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 153 CB_GB1_3 CG2_GB1_18 1 3.467152e-03 8.631401e-06 ; 3.681443e-01 3.481805e-01 9.653464e-01 1.010911e-03 0.004395 0.012151 True md_ensemble 7 20 154 CB_GB1_3 C_GB1_18 1 8.200310e-03 4.836097e-05 ; 4.250540e-01 3.476206e-01 9.549279e-01 2.025489e-04 0.004395 0.001132 True md_ensemble 7 20 155 CB_GB1_3 O_GB1_18 1 1.657413e-03 1.962716e-06 ; 3.252653e-01 3.499001e-01 9.980662e-01 1.024869e-04 0.004395 0.007862 True md_ensemble 7 20 156 - CB_GB1_3 N_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 157 + CB_GB1_3 N_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 157 CB_GB1_3 CA_GB1_19 1 2.483468e-02 5.111367e-04 ; 5.234957e-01 3.016617e-01 3.918223e-01 5.798758e-04 0.004395 0.007117 True md_ensemble 7 20 159 - CB_GB1_3 CD_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 162 - CB_GB1_3 OE1_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 163 - CB_GB1_3 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 164 - CB_GB1_3 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 165 + CB_GB1_3 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 162 + CB_GB1_3 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 163 + CB_GB1_3 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 164 + CB_GB1_3 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 165 CB_GB1_3 O_GB1_19 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.614845e-04 0.004395 0.007862 True md_ensemble 7 20 166 CB_GB1_3 N_GB1_20 1 4.146553e-03 3.002175e-05 ; 4.398367e-01 1.431787e-01 1.815447e-02 0.000000e+00 0.004395 0.001132 True md_ensemble 7 20 167 CB_GB1_3 CA_GB1_20 1 2.307480e-02 4.493605e-04 ; 5.186919e-01 2.962246e-01 3.526303e-01 6.319652e-04 0.004395 0.007117 True md_ensemble 7 20 169 CB_GB1_3 CB_GB1_20 1 1.130082e-02 1.014766e-04 ; 4.559067e-01 3.146254e-01 5.037531e-01 5.726911e-04 0.004395 0.012151 True md_ensemble 7 20 170 - CB_GB1_3 C_GB1_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 171 + CB_GB1_3 C_GB1_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 171 CB_GB1_3 O_GB1_20 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 6.278250e-05 3.000103e-04 0.004395 0.007862 True md_ensemble 7 20 172 - CB_GB1_3 N_GB1_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 173 - CB_GB1_3 C_GB1_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 179 + CB_GB1_3 N_GB1_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 173 + CB_GB1_3 C_GB1_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 179 CB_GB1_3 O_GB1_21 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.904035e-04 0.004395 0.007862 True md_ensemble 7 20 180 - CB_GB1_3 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 181 - CB_GB1_3 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 185 - CB_GB1_3 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 186 - CB_GB1_3 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 187 - CB_GB1_3 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 188 + CB_GB1_3 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 181 + CB_GB1_3 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 185 + CB_GB1_3 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 186 + CB_GB1_3 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 187 + CB_GB1_3 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 188 CB_GB1_3 O_GB1_22 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 2.236500e-05 9.998460e-05 0.004395 0.007862 True md_ensemble 7 20 189 - CB_GB1_3 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 190 + CB_GB1_3 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 190 CB_GB1_3 CA_GB1_23 1 2.173765e-02 4.311943e-04 ; 5.202875e-01 2.739631e-01 2.290462e-01 1.999209e-04 0.004395 0.007117 True md_ensemble 7 20 192 - CB_GB1_3 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 194 + CB_GB1_3 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 194 CB_GB1_3 O_GB1_23 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 2.389500e-05 9.999003e-05 0.004395 0.007862 True md_ensemble 7 20 195 - CB_GB1_3 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 196 - CB_GB1_3 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 200 + CB_GB1_3 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 196 + CB_GB1_3 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 200 CB_GB1_3 O_GB1_24 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.487855e-04 0.004395 0.007862 True md_ensemble 7 20 201 - CB_GB1_3 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 202 - CB_GB1_3 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 206 - CB_GB1_3 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 208 + CB_GB1_3 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 202 + CB_GB1_3 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 206 + CB_GB1_3 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 208 CB_GB1_3 O_GB1_25 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 20 209 - CB_GB1_3 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 210 + CB_GB1_3 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 210 CB_GB1_3 CA_GB1_26 1 1.394348e-02 1.390087e-04 ; 4.639221e-01 3.496558e-01 9.933501e-01 4.347062e-04 0.004395 0.007117 True md_ensemble 7 20 212 CB_GB1_3 CB_GB1_26 1 1.977292e-03 2.792999e-06 ; 3.349654e-01 3.499538e-01 9.991054e-01 5.543040e-04 0.004395 0.012151 True md_ensemble 7 20 213 CB_GB1_3 C_GB1_26 1 4.184113e-03 4.493339e-05 ; 4.697076e-01 9.740420e-02 7.475752e-03 1.000657e-04 0.004395 0.001132 True md_ensemble 7 20 214 CB_GB1_3 O_GB1_26 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 9.161250e-05 1.915792e-05 0.004395 0.007862 True md_ensemble 7 20 215 - CB_GB1_3 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 216 - CB_GB1_3 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 221 - CB_GB1_3 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 222 - CB_GB1_3 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 223 - CB_GB1_3 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 224 + CB_GB1_3 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 216 + CB_GB1_3 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 221 + CB_GB1_3 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 222 + CB_GB1_3 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 223 + CB_GB1_3 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 224 CB_GB1_3 O_GB1_27 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000070e-04 0.004395 0.007862 True md_ensemble 7 20 225 - CB_GB1_3 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 226 - CB_GB1_3 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 233 - CB_GB1_3 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 234 + CB_GB1_3 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 226 + CB_GB1_3 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 233 + CB_GB1_3 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 234 CB_GB1_3 O_GB1_28 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.307614e-07 0.004395 0.007862 True md_ensemble 7 20 235 - CB_GB1_3 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 236 - CB_GB1_3 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 242 + CB_GB1_3 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 236 + CB_GB1_3 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 242 CB_GB1_3 O_GB1_29 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 20 243 - CB_GB1_3 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 244 + CB_GB1_3 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 244 CB_GB1_3 CD1_GB1_30 1 1.072948e-02 8.517079e-05 ; 4.466343e-01 3.379141e-01 7.911547e-01 3.976748e-04 0.004395 0.012152 True md_ensemble 7 20 249 CB_GB1_3 CD2_GB1_30 1 1.072948e-02 8.517079e-05 ; 4.466343e-01 3.379141e-01 7.911547e-01 3.976748e-04 0.004395 0.012152 True md_ensemble 7 20 250 CB_GB1_3 CE1_GB1_30 1 2.458621e-03 4.317782e-06 ; 3.473454e-01 3.499955e-01 9.999128e-01 6.995555e-04 0.004395 0.012152 True md_ensemble 7 20 251 CB_GB1_3 CE2_GB1_30 1 2.458621e-03 4.317782e-06 ; 3.473454e-01 3.499955e-01 9.999128e-01 6.995555e-04 0.004395 0.012152 True md_ensemble 7 20 252 CB_GB1_3 CZ_GB1_30 1 3.217755e-03 7.399457e-06 ; 3.633076e-01 3.498211e-01 9.965381e-01 7.020402e-04 0.004395 0.012152 True md_ensemble 7 20 253 - CB_GB1_3 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 254 + CB_GB1_3 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 254 CB_GB1_3 O_GB1_30 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.156020e-04 0.004395 0.007862 True md_ensemble 7 20 255 - CB_GB1_3 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 256 - CB_GB1_3 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 263 - CB_GB1_3 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 264 + CB_GB1_3 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 256 + CB_GB1_3 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 263 + CB_GB1_3 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 264 CB_GB1_3 O_GB1_31 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000337e-04 0.004395 0.007862 True md_ensemble 7 20 265 - CB_GB1_3 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 266 - CB_GB1_3 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 271 + CB_GB1_3 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 266 + CB_GB1_3 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 271 CB_GB1_3 OE1_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000615e-04 0.004395 0.007862 True md_ensemble 7 20 272 - CB_GB1_3 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 273 - CB_GB1_3 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 274 + CB_GB1_3 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 273 + CB_GB1_3 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 274 CB_GB1_3 O_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.999961e-04 0.004395 0.007862 True md_ensemble 7 20 275 - CB_GB1_3 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 276 - CB_GB1_3 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 286 - CB_GB1_3 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 287 + CB_GB1_3 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 276 + CB_GB1_3 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 286 + CB_GB1_3 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 287 CB_GB1_3 O_GB1_33 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.001228e-04 0.004395 0.007862 True md_ensemble 7 20 288 - CB_GB1_3 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 289 - CB_GB1_3 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 293 + CB_GB1_3 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 289 + CB_GB1_3 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 293 CB_GB1_3 O_GB1_34 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000554e-04 0.004395 0.007862 True md_ensemble 7 20 294 - CB_GB1_3 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 295 - CB_GB1_3 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 299 + CB_GB1_3 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 295 + CB_GB1_3 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 299 CB_GB1_3 OD1_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.997314e-04 0.004395 0.007862 True md_ensemble 7 20 300 - CB_GB1_3 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 301 - CB_GB1_3 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 302 + CB_GB1_3 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 301 + CB_GB1_3 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 302 CB_GB1_3 O_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 20 303 - CB_GB1_3 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 304 - CB_GB1_3 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 308 - CB_GB1_3 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 309 - CB_GB1_3 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 310 - CB_GB1_3 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 311 + CB_GB1_3 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 304 + CB_GB1_3 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 308 + CB_GB1_3 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 309 + CB_GB1_3 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 310 + CB_GB1_3 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 311 CB_GB1_3 O_GB1_36 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.999687e-04 0.004395 0.007862 True md_ensemble 7 20 312 - CB_GB1_3 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 313 - CB_GB1_3 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 317 + CB_GB1_3 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 313 + CB_GB1_3 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 317 CB_GB1_3 OD1_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.559611e-04 0.004395 0.007862 True md_ensemble 7 20 318 - CB_GB1_3 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 319 - CB_GB1_3 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 320 + CB_GB1_3 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 319 + CB_GB1_3 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 320 CB_GB1_3 O_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 20 321 - CB_GB1_3 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 322 - CB_GB1_3 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 325 + CB_GB1_3 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 322 + CB_GB1_3 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 325 CB_GB1_3 O_GB1_38 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.382395e-06 0.004395 0.007862 True md_ensemble 7 20 326 - CB_GB1_3 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 327 - CB_GB1_3 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 333 + CB_GB1_3 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 327 + CB_GB1_3 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 333 CB_GB1_3 O_GB1_39 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.581906e-05 0.004395 0.007862 True md_ensemble 7 20 334 - CB_GB1_3 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 335 - CB_GB1_3 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 339 - CB_GB1_3 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 340 - CB_GB1_3 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 341 - CB_GB1_3 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 342 + CB_GB1_3 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 335 + CB_GB1_3 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 339 + CB_GB1_3 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 340 + CB_GB1_3 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 341 + CB_GB1_3 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 342 CB_GB1_3 O_GB1_40 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.429729e-04 0.004395 0.007862 True md_ensemble 7 20 343 - CB_GB1_3 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 344 - CB_GB1_3 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 347 + CB_GB1_3 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 344 + CB_GB1_3 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 347 CB_GB1_3 O_GB1_41 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.999444e-05 0.004395 0.007862 True md_ensemble 7 20 348 - CB_GB1_3 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 349 - CB_GB1_3 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 354 - CB_GB1_3 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 355 - CB_GB1_3 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 356 - CB_GB1_3 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 357 + CB_GB1_3 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 349 + CB_GB1_3 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 354 + CB_GB1_3 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 355 + CB_GB1_3 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 356 + CB_GB1_3 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 357 CB_GB1_3 O_GB1_42 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000312e-04 0.004395 0.007862 True md_ensemble 7 20 358 - CB_GB1_3 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 359 - CB_GB1_3 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 366 - CB_GB1_3 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 372 + CB_GB1_3 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 359 + CB_GB1_3 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 366 + CB_GB1_3 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 372 CB_GB1_3 O_GB1_43 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.340674e-04 0.004395 0.007862 True md_ensemble 7 20 373 - CB_GB1_3 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 374 - CB_GB1_3 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 378 - CB_GB1_3 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 380 + CB_GB1_3 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 374 + CB_GB1_3 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 378 + CB_GB1_3 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 380 CB_GB1_3 O_GB1_44 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 20 381 - CB_GB1_3 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 382 - CB_GB1_3 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 392 - CB_GB1_3 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 393 + CB_GB1_3 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 382 + CB_GB1_3 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 392 + CB_GB1_3 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 393 CB_GB1_3 O_GB1_45 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 20 394 - CB_GB1_3 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 395 - CB_GB1_3 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 399 - CB_GB1_3 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 400 - CB_GB1_3 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 401 - CB_GB1_3 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 402 + CB_GB1_3 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 395 + CB_GB1_3 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 399 + CB_GB1_3 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 400 + CB_GB1_3 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 401 + CB_GB1_3 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 402 CB_GB1_3 O_GB1_46 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000133e-04 0.004395 0.007862 True md_ensemble 7 20 403 - CB_GB1_3 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 404 - CB_GB1_3 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 408 - CB_GB1_3 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 409 - CB_GB1_3 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 410 - CB_GB1_3 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 411 + CB_GB1_3 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 404 + CB_GB1_3 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 408 + CB_GB1_3 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 409 + CB_GB1_3 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 410 + CB_GB1_3 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 411 CB_GB1_3 O_GB1_47 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.000857e-04 0.004395 0.007862 True md_ensemble 7 20 412 - CB_GB1_3 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 413 - CB_GB1_3 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 417 + CB_GB1_3 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 413 + CB_GB1_3 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 417 CB_GB1_3 O_GB1_48 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 20 418 - CB_GB1_3 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 419 - CB_GB1_3 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 423 - CB_GB1_3 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 425 + CB_GB1_3 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 419 + CB_GB1_3 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 423 + CB_GB1_3 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 425 CB_GB1_3 O_GB1_49 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.987796e-05 0.004395 0.007862 True md_ensemble 7 20 426 - CB_GB1_3 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 427 + CB_GB1_3 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 427 CB_GB1_3 CA_GB1_50 1 2.099270e-02 3.179240e-04 ; 4.974039e-01 3.465398e-01 9.351305e-01 9.994774e-05 0.004395 0.007117 True md_ensemble 7 20 429 CB_GB1_3 CB_GB1_50 1 9.434718e-03 6.381576e-05 ; 4.348771e-01 3.487144e-01 9.753895e-01 0.000000e+00 0.004395 0.007860 True md_ensemble 7 20 430 CB_GB1_3 CG_GB1_50 1 1.461249e-02 2.138293e-04 ; 4.945655e-01 2.496441e-01 1.429575e-01 0.000000e+00 0.004395 0.007860 True md_ensemble 7 20 431 CB_GB1_3 CD_GB1_50 1 9.302431e-03 1.266520e-04 ; 4.886553e-01 1.708130e-01 3.101761e-02 5.760919e-05 0.004395 0.007860 True md_ensemble 7 20 432 - CB_GB1_3 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 434 + CB_GB1_3 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 434 CB_GB1_3 C_GB1_50 1 1.011137e-02 7.539679e-05 ; 4.420016e-01 3.390057e-01 8.080720e-01 3.968057e-05 0.004395 0.001132 True md_ensemble 7 20 435 CB_GB1_3 O_GB1_50 1 2.216829e-03 3.513428e-06 ; 3.414548e-01 3.496819e-01 9.938537e-01 9.259938e-05 0.004395 0.007862 True md_ensemble 7 20 436 - CB_GB1_3 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 437 + CB_GB1_3 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 437 CB_GB1_3 CA_GB1_51 1 2.286066e-02 5.117007e-04 ; 5.308696e-01 2.553299e-01 1.596133e-01 1.990539e-04 0.004395 0.007117 True md_ensemble 7 20 439 - CB_GB1_3 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 441 - CB_GB1_3 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 443 + CB_GB1_3 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 441 + CB_GB1_3 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 443 CB_GB1_3 O_GB1_51 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 20 444 - CB_GB1_3 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 445 + CB_GB1_3 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 445 CB_GB1_3 CD1_GB1_52 1 7.593613e-03 4.220735e-05 ; 4.208784e-01 3.415457e-01 8.488514e-01 1.999757e-04 0.004395 0.012152 True md_ensemble 7 20 450 CB_GB1_3 CD2_GB1_52 1 7.593613e-03 4.220735e-05 ; 4.208784e-01 3.415457e-01 8.488514e-01 1.999757e-04 0.004395 0.012152 True md_ensemble 7 20 451 CB_GB1_3 CE1_GB1_52 1 4.655989e-03 1.569301e-05 ; 3.872122e-01 3.453486e-01 9.137869e-01 3.983926e-04 0.004395 0.012152 True md_ensemble 7 20 452 CB_GB1_3 CE2_GB1_52 1 4.655989e-03 1.569301e-05 ; 3.872122e-01 3.453486e-01 9.137869e-01 3.983926e-04 0.004395 0.012152 True md_ensemble 7 20 453 CB_GB1_3 CZ_GB1_52 1 8.910610e-03 8.137018e-05 ; 4.571861e-01 2.439437e-01 1.280031e-01 5.824600e-04 0.004395 0.012152 True md_ensemble 7 20 454 - CB_GB1_3 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 455 + CB_GB1_3 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 455 CB_GB1_3 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 20 456 - CB_GB1_3 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 457 - CB_GB1_3 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 461 - CB_GB1_3 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 463 + CB_GB1_3 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 457 + CB_GB1_3 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 461 + CB_GB1_3 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 463 CB_GB1_3 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 20 464 - CB_GB1_3 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 465 - CB_GB1_3 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 471 + CB_GB1_3 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 465 + CB_GB1_3 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 471 CB_GB1_3 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 20 472 - CB_GB1_3 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 473 - CB_GB1_3 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 477 - CB_GB1_3 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 479 + CB_GB1_3 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 473 + CB_GB1_3 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 477 + CB_GB1_3 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 479 CB_GB1_3 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 20 480 - CB_GB1_3 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 481 - CB_GB1_3 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 486 - CB_GB1_3 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 487 - CB_GB1_3 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 488 - CB_GB1_3 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 489 - CB_GB1_3 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 490 - CB_GB1_3 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 491 - CG_GB1_3 OH_GB1_3 1 0.000000e+00 1.141963e-06 ; 2.848608e-01 -1.141963e-06 9.999946e-01 9.999963e-01 0.004395 0.001132 True md_ensemble 4 21 27 - CG_GB1_3 O_GB1_3 1 0.000000e+00 1.029225e-06 ; 2.824040e-01 -1.029225e-06 3.253950e-01 5.700097e-01 0.004395 0.001132 True md_ensemble 4 21 29 - CG_GB1_3 N_GB1_4 1 0.000000e+00 1.171392e-06 ; 2.854654e-01 -1.171392e-06 9.666217e-01 7.433305e-01 0.004395 0.001132 True md_ensemble 4 21 30 - CG_GB1_3 CA_GB1_4 1 0.000000e+00 1.657425e-05 ; 3.559982e-01 -1.657425e-05 6.881041e-02 3.386865e-01 0.004395 0.001132 True md_ensemble 5 21 32 + CB_GB1_3 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 481 + CB_GB1_3 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 486 + CB_GB1_3 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 487 + CB_GB1_3 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 488 + CB_GB1_3 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 489 + CB_GB1_3 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 490 + CB_GB1_3 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 20 491 + CG_GB1_3 OH_GB1_3 1 0.000000e+00 1.141944e-06 ; 2.848604e-01 -1.141944e-06 9.999946e-01 9.999963e-01 0.004395 0.001132 True md_ensemble 4 21 27 + CG_GB1_3 O_GB1_3 1 0.000000e+00 1.029220e-06 ; 2.824039e-01 -1.029220e-06 3.253950e-01 5.700097e-01 0.004395 0.001132 True md_ensemble 4 21 29 + CG_GB1_3 N_GB1_4 1 0.000000e+00 1.171376e-06 ; 2.854651e-01 -1.171376e-06 9.666217e-01 7.433305e-01 0.004395 0.001132 True md_ensemble 4 21 30 + CG_GB1_3 CA_GB1_4 1 0.000000e+00 1.657417e-05 ; 3.559981e-01 -1.657417e-05 6.881041e-02 3.386865e-01 0.004395 0.001132 True md_ensemble 5 21 32 CG_GB1_3 CB_GB1_4 1 0.000000e+00 6.333961e-06 ; 3.285751e-01 -6.333961e-06 0.000000e+00 4.778009e-02 0.004395 0.001132 True md_ensemble 6 21 33 CG_GB1_3 C_GB1_4 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 0.000000e+00 7.317937e-02 0.004395 0.001132 True md_ensemble 6 21 38 CG_GB1_3 CB_GB1_18 1 4.547840e-03 5.901827e-05 ; 4.847638e-01 8.761208e-02 6.183367e-03 1.191724e-03 0.004395 0.010759 True md_ensemble 7 21 152 @@ -4092,9 +4092,9 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CG_GB1_3 CE1_GB1_52 1 4.992018e-03 1.867164e-05 ; 3.939893e-01 3.336644e-01 7.285964e-01 2.629191e-04 0.004395 0.020720 True md_ensemble 7 21 452 CG_GB1_3 CE2_GB1_52 1 4.992018e-03 1.867164e-05 ; 3.939893e-01 3.336644e-01 7.285964e-01 2.629191e-04 0.004395 0.020720 True md_ensemble 7 21 453 CG_GB1_3 CZ_GB1_52 1 4.228198e-03 2.572477e-05 ; 4.272670e-01 1.737397e-01 3.282808e-02 3.976530e-04 0.004395 0.020720 True md_ensemble 7 21 454 - CD1_GB1_3 C_GB1_3 1 0.000000e+00 2.259982e-06 ; 3.015345e-01 -2.259982e-06 9.975919e-01 8.672939e-01 0.004395 0.001132 True md_ensemble 4 22 28 + CD1_GB1_3 C_GB1_3 1 0.000000e+00 2.259941e-06 ; 3.015341e-01 -2.259941e-06 9.975919e-01 8.672939e-01 0.004395 0.001132 True md_ensemble 4 22 28 CD1_GB1_3 O_GB1_3 1 0.000000e+00 8.269429e-07 ; 2.773009e-01 -8.269429e-07 0.000000e+00 1.919793e-01 0.004395 0.001132 True md_ensemble 5 22 29 - CD1_GB1_3 N_GB1_4 1 0.000000e+00 1.583495e-06 ; 2.927272e-01 -1.583495e-06 2.118844e-01 2.618439e-01 0.004395 0.001132 True md_ensemble 5 22 30 + CD1_GB1_3 N_GB1_4 1 0.000000e+00 1.583473e-06 ; 2.927268e-01 -1.583473e-06 2.118844e-01 2.618439e-01 0.004395 0.001132 True md_ensemble 5 22 30 CD1_GB1_3 CA_GB1_4 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 3.184467e-03 1.970709e-01 0.004395 0.001132 True md_ensemble 6 22 32 CD1_GB1_3 CA_GB1_18 1 4.929540e-03 7.435029e-05 ; 4.970645e-01 8.170903e-02 5.514845e-03 1.150081e-03 0.004395 0.010759 True md_ensemble 7 22 151 CD1_GB1_3 CB_GB1_18 1 6.936941e-03 9.117273e-05 ; 4.857910e-01 1.319505e-01 1.460376e-02 1.638410e-03 0.004395 0.010759 True md_ensemble 7 22 152 @@ -4142,9 +4142,9 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CD1_GB1_3 CE1_GB1_52 1 2.296773e-03 3.786057e-06 ; 3.436989e-01 3.483285e-01 9.681211e-01 2.638900e-04 0.004395 0.020720 True md_ensemble 7 22 452 CD1_GB1_3 CE2_GB1_52 1 2.296773e-03 3.786057e-06 ; 3.436989e-01 3.483285e-01 9.681211e-01 2.638900e-04 0.004395 0.020720 True md_ensemble 7 22 453 CD1_GB1_3 CZ_GB1_52 1 4.697379e-03 1.744957e-05 ; 3.935394e-01 3.161306e-01 5.186668e-01 6.021775e-04 0.004395 0.020720 True md_ensemble 7 22 454 - CD2_GB1_3 C_GB1_3 1 0.000000e+00 2.259982e-06 ; 3.015345e-01 -2.259982e-06 9.975919e-01 8.672939e-01 0.004395 0.001132 True md_ensemble 4 23 28 + CD2_GB1_3 C_GB1_3 1 0.000000e+00 2.259941e-06 ; 3.015341e-01 -2.259941e-06 9.975919e-01 8.672939e-01 0.004395 0.001132 True md_ensemble 4 23 28 CD2_GB1_3 O_GB1_3 1 0.000000e+00 8.269429e-07 ; 2.773009e-01 -8.269429e-07 1.275000e-07 1.933306e-01 0.004395 0.001132 True md_ensemble 5 23 29 - CD2_GB1_3 N_GB1_4 1 0.000000e+00 1.583495e-06 ; 2.927272e-01 -1.583495e-06 2.118844e-01 2.618439e-01 0.004395 0.001132 True md_ensemble 5 23 30 + CD2_GB1_3 N_GB1_4 1 0.000000e+00 1.583473e-06 ; 2.927268e-01 -1.583473e-06 2.118844e-01 2.618439e-01 0.004395 0.001132 True md_ensemble 5 23 30 CD2_GB1_3 CA_GB1_4 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 0.000000e+00 2.042547e-01 0.004395 0.001132 True md_ensemble 6 23 32 CD2_GB1_3 CA_GB1_18 1 4.929540e-03 7.435029e-05 ; 4.970645e-01 8.170903e-02 5.514845e-03 1.150081e-03 0.004395 0.010759 True md_ensemble 7 23 151 CD2_GB1_3 CB_GB1_18 1 6.936941e-03 9.117273e-05 ; 4.857910e-01 1.319505e-01 1.460376e-02 1.638410e-03 0.004395 0.010759 True md_ensemble 7 23 152 @@ -4309,72 +4309,72 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CZ_GB1_3 CE_GB1_50 1 4.048513e-03 1.305425e-05 ; 3.843640e-01 3.138914e-01 4.966363e-01 3.039077e-04 0.004395 0.012152 True md_ensemble 7 26 433 CZ_GB1_3 NZ_GB1_50 1 1.164493e-03 2.050636e-06 ; 3.475031e-01 1.653198e-01 2.788476e-02 1.255139e-04 0.004395 0.015244 True md_ensemble 7 26 434 OH_GB1_3 H_GB1_4 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 31 - OH_GB1_3 CB_GB1_4 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 33 - OH_GB1_3 CG_GB1_4 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 34 - OH_GB1_3 CD_GB1_4 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 35 - OH_GB1_3 CE_GB1_4 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 36 + OH_GB1_3 CB_GB1_4 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 33 + OH_GB1_3 CG_GB1_4 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 34 + OH_GB1_3 CD_GB1_4 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 35 + OH_GB1_3 CE_GB1_4 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 36 OH_GB1_3 H_GB1_5 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 41 - OH_GB1_3 CB_GB1_5 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 43 - OH_GB1_3 CG_GB1_5 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 44 - OH_GB1_3 CD1_GB1_5 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 45 - OH_GB1_3 CD2_GB1_5 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 46 + OH_GB1_3 CB_GB1_5 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 43 + OH_GB1_3 CG_GB1_5 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 44 + OH_GB1_3 CD1_GB1_5 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 45 + OH_GB1_3 CD2_GB1_5 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 46 OH_GB1_3 H_GB1_6 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 50 - OH_GB1_3 CB_GB1_6 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 52 - OH_GB1_3 CG1_GB1_6 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 53 - OH_GB1_3 CG2_GB1_6 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 54 - OH_GB1_3 CD_GB1_6 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 55 + OH_GB1_3 CB_GB1_6 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 52 + OH_GB1_3 CG1_GB1_6 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 53 + OH_GB1_3 CG2_GB1_6 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 54 + OH_GB1_3 CD_GB1_6 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 55 OH_GB1_3 H_GB1_7 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 59 - OH_GB1_3 CB_GB1_7 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 61 - OH_GB1_3 CG_GB1_7 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 62 - OH_GB1_3 CD1_GB1_7 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 63 - OH_GB1_3 CD2_GB1_7 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 64 + OH_GB1_3 CB_GB1_7 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 61 + OH_GB1_3 CG_GB1_7 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 62 + OH_GB1_3 CD1_GB1_7 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 63 + OH_GB1_3 CD2_GB1_7 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 64 OH_GB1_3 H_GB1_8 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 68 - OH_GB1_3 CB_GB1_8 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 70 + OH_GB1_3 CB_GB1_8 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 70 OH_GB1_3 H_GB1_9 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 77 - OH_GB1_3 CA_GB1_9 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 78 + OH_GB1_3 CA_GB1_9 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 78 OH_GB1_3 H_GB1_10 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 82 - OH_GB1_3 CB_GB1_10 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 84 - OH_GB1_3 CG_GB1_10 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 85 - OH_GB1_3 CD_GB1_10 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 86 - OH_GB1_3 CE_GB1_10 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 87 + OH_GB1_3 CB_GB1_10 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 84 + OH_GB1_3 CG_GB1_10 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 85 + OH_GB1_3 CD_GB1_10 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 86 + OH_GB1_3 CE_GB1_10 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 87 OH_GB1_3 H_GB1_11 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 92 - OH_GB1_3 CB_GB1_11 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 94 - OH_GB1_3 CG2_GB1_11 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 96 + OH_GB1_3 CB_GB1_11 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 94 + OH_GB1_3 CG2_GB1_11 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 96 OH_GB1_3 H_GB1_12 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 100 - OH_GB1_3 CB_GB1_12 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 102 - OH_GB1_3 CG_GB1_12 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 103 - OH_GB1_3 CD1_GB1_12 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 104 - OH_GB1_3 CD2_GB1_12 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 105 + OH_GB1_3 CB_GB1_12 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 102 + OH_GB1_3 CG_GB1_12 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 103 + OH_GB1_3 CD1_GB1_12 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 104 + OH_GB1_3 CD2_GB1_12 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 105 OH_GB1_3 H_GB1_13 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 109 - OH_GB1_3 CB_GB1_13 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 111 - OH_GB1_3 CG_GB1_13 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 112 - OH_GB1_3 CD_GB1_13 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 113 - OH_GB1_3 CE_GB1_13 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 114 + OH_GB1_3 CB_GB1_13 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 111 + OH_GB1_3 CG_GB1_13 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 112 + OH_GB1_3 CD_GB1_13 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 113 + OH_GB1_3 CE_GB1_13 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 114 OH_GB1_3 H_GB1_14 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 119 - OH_GB1_3 CA_GB1_14 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 120 + OH_GB1_3 CA_GB1_14 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 120 OH_GB1_3 H_GB1_15 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 124 - OH_GB1_3 CB_GB1_15 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 126 - OH_GB1_3 CG_GB1_15 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 127 + OH_GB1_3 CB_GB1_15 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 126 + OH_GB1_3 CG_GB1_15 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 127 OH_GB1_3 H_GB1_16 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 134 - OH_GB1_3 CB_GB1_16 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 136 - OH_GB1_3 CG2_GB1_16 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 138 + OH_GB1_3 CB_GB1_16 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 136 + OH_GB1_3 CG2_GB1_16 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 138 OH_GB1_3 H_GB1_17 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 142 - OH_GB1_3 CB_GB1_17 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 144 - OH_GB1_3 CG2_GB1_17 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 146 + OH_GB1_3 CB_GB1_17 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 144 + OH_GB1_3 CG2_GB1_17 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 146 OH_GB1_3 H_GB1_18 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 150 - OH_GB1_3 CB_GB1_18 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 152 - OH_GB1_3 CG2_GB1_18 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 154 + OH_GB1_3 CB_GB1_18 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 152 + OH_GB1_3 CG2_GB1_18 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 154 OH_GB1_3 H_GB1_19 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 158 - OH_GB1_3 CB_GB1_19 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 160 - OH_GB1_3 CG_GB1_19 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 161 + OH_GB1_3 CB_GB1_19 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 160 + OH_GB1_3 CG_GB1_19 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 161 OH_GB1_3 H_GB1_20 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 168 - OH_GB1_3 CB_GB1_20 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 170 + OH_GB1_3 CB_GB1_20 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 170 OH_GB1_3 O_GB1_20 1 8.384678e-04 1.525162e-06 ; 3.493855e-01 1.152383e-01 1.056287e-02 5.010710e-04 0.004395 0.011584 True md_ensemble 7 27 172 OH_GB1_3 H_GB1_21 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 174 OH_GB1_3 CA_GB1_21 1 7.526732e-03 4.124665e-05 ; 4.198850e-01 3.433714e-01 8.794291e-01 1.511033e-03 0.004395 0.008483 True md_ensemble 7 27 175 - OH_GB1_3 CB_GB1_21 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 176 - OH_GB1_3 CG1_GB1_21 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 177 - OH_GB1_3 CG2_GB1_21 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 178 + OH_GB1_3 CB_GB1_21 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 176 + OH_GB1_3 CG1_GB1_21 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 177 + OH_GB1_3 CG2_GB1_21 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 178 OH_GB1_3 C_GB1_21 1 1.576395e-03 1.793307e-06 ; 3.230960e-01 3.464300e-01 9.331430e-01 9.253849e-04 0.004395 0.011584 True md_ensemble 7 27 179 OH_GB1_3 O_GB1_21 1 2.447420e-04 4.331859e-08 ; 2.369523e-01 3.456866e-01 9.197921e-01 4.976991e-04 0.004395 0.011584 True md_ensemble 7 27 180 OH_GB1_3 N_GB1_22 1 2.081516e-03 3.263345e-06 ; 3.408374e-01 3.319225e-01 7.044072e-01 7.997870e-04 0.004395 0.011584 True md_ensemble 7 27 181 @@ -4388,75 +4388,75 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 OH_GB1_3 CA_GB1_23 1 1.503181e-03 1.614033e-06 ; 3.200001e-01 3.499859e-01 9.997258e-01 1.218432e-03 0.004395 0.008483 True md_ensemble 7 27 192 OH_GB1_3 CB_GB1_23 1 1.650770e-03 1.951896e-06 ; 3.251834e-01 3.490251e-01 9.812801e-01 7.542600e-04 0.004395 0.001132 True md_ensemble 7 27 193 OH_GB1_3 H_GB1_24 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 197 - OH_GB1_3 CB_GB1_24 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 199 + OH_GB1_3 CB_GB1_24 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 199 OH_GB1_3 H_GB1_25 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 203 - OH_GB1_3 CB_GB1_25 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 205 - OH_GB1_3 CG2_GB1_25 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 207 + OH_GB1_3 CB_GB1_25 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 205 + OH_GB1_3 CG2_GB1_25 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 207 OH_GB1_3 H_GB1_26 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 211 OH_GB1_3 CB_GB1_26 1 1.984027e-03 6.120414e-06 ; 3.815390e-01 1.607882e-01 2.553993e-02 5.998705e-04 0.004395 0.001132 True md_ensemble 7 27 213 OH_GB1_3 H_GB1_27 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 217 - OH_GB1_3 CB_GB1_27 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 219 - OH_GB1_3 CG_GB1_27 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 220 + OH_GB1_3 CB_GB1_27 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 219 + OH_GB1_3 CG_GB1_27 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 220 OH_GB1_3 H_GB1_28 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 227 - OH_GB1_3 CB_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 229 - OH_GB1_3 CG_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 230 - OH_GB1_3 CD_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 231 - OH_GB1_3 CE_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 232 + OH_GB1_3 CB_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 229 + OH_GB1_3 CG_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 230 + OH_GB1_3 CD_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 231 + OH_GB1_3 CE_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 232 OH_GB1_3 H_GB1_29 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 237 - OH_GB1_3 CB_GB1_29 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 239 - OH_GB1_3 CG1_GB1_29 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 240 - OH_GB1_3 CG2_GB1_29 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 241 + OH_GB1_3 CB_GB1_29 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 239 + OH_GB1_3 CG1_GB1_29 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 240 + OH_GB1_3 CG2_GB1_29 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 241 OH_GB1_3 H_GB1_30 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 245 - OH_GB1_3 CB_GB1_30 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 247 + OH_GB1_3 CB_GB1_30 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 247 OH_GB1_3 H_GB1_31 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 257 - OH_GB1_3 CB_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 259 - OH_GB1_3 CG_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 260 - OH_GB1_3 CD_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 261 - OH_GB1_3 CE_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 262 + OH_GB1_3 CB_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 259 + OH_GB1_3 CG_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 260 + OH_GB1_3 CD_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 261 + OH_GB1_3 CE_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 262 OH_GB1_3 H_GB1_32 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 267 - OH_GB1_3 CB_GB1_32 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 269 - OH_GB1_3 CG_GB1_32 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 270 + OH_GB1_3 CB_GB1_32 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 269 + OH_GB1_3 CG_GB1_32 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 270 OH_GB1_3 H_GB1_33 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 277 - OH_GB1_3 CB_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 279 + OH_GB1_3 CB_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 279 OH_GB1_3 H_GB1_34 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 290 - OH_GB1_3 CB_GB1_34 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 292 + OH_GB1_3 CB_GB1_34 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 292 OH_GB1_3 H_GB1_35 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 296 - OH_GB1_3 CB_GB1_35 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 298 + OH_GB1_3 CB_GB1_35 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 298 OH_GB1_3 H_GB1_36 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 305 - OH_GB1_3 CB_GB1_36 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 307 + OH_GB1_3 CB_GB1_36 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 307 OH_GB1_3 H_GB1_37 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 314 - OH_GB1_3 CB_GB1_37 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 316 + OH_GB1_3 CB_GB1_37 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 316 OH_GB1_3 H_GB1_38 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 323 - OH_GB1_3 CA_GB1_38 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 324 + OH_GB1_3 CA_GB1_38 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 324 OH_GB1_3 H_GB1_39 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 328 - OH_GB1_3 CB_GB1_39 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 330 - OH_GB1_3 CG1_GB1_39 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 331 - OH_GB1_3 CG2_GB1_39 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 332 + OH_GB1_3 CB_GB1_39 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 330 + OH_GB1_3 CG1_GB1_39 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 331 + OH_GB1_3 CG2_GB1_39 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 332 OH_GB1_3 H_GB1_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 336 - OH_GB1_3 CB_GB1_40 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 338 + OH_GB1_3 CB_GB1_40 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 338 OH_GB1_3 H_GB1_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 345 - OH_GB1_3 CA_GB1_41 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 346 + OH_GB1_3 CA_GB1_41 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 346 OH_GB1_3 H_GB1_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 350 - OH_GB1_3 CB_GB1_42 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 352 - OH_GB1_3 CG_GB1_42 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 353 + OH_GB1_3 CB_GB1_42 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 352 + OH_GB1_3 CG_GB1_42 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 353 OH_GB1_3 H_GB1_43 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 360 - OH_GB1_3 CB_GB1_43 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 362 + OH_GB1_3 CB_GB1_43 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 362 OH_GB1_3 H_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 375 - OH_GB1_3 CB_GB1_44 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 377 - OH_GB1_3 CG2_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 379 + OH_GB1_3 CB_GB1_44 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 377 + OH_GB1_3 CG2_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 379 OH_GB1_3 H_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 383 - OH_GB1_3 CB_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 385 + OH_GB1_3 CB_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 385 OH_GB1_3 CZ_GB1_45 1 8.205291e-04 1.867901e-06 ; 3.626964e-01 9.011025e-02 6.490147e-03 5.642743e-04 0.004395 0.015244 True md_ensemble 7 27 391 OH_GB1_3 OH_GB1_45 1 4.818606e-04 2.313922e-07 ; 2.798366e-01 2.508615e-01 1.463708e-01 6.064593e-04 0.004395 0.011584 True md_ensemble 7 27 392 OH_GB1_3 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 396 - OH_GB1_3 CB_GB1_46 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 398 + OH_GB1_3 CB_GB1_46 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 398 OH_GB1_3 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 405 - OH_GB1_3 CB_GB1_47 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 407 + OH_GB1_3 CB_GB1_47 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 407 OH_GB1_3 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 414 - OH_GB1_3 CB_GB1_48 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 416 + OH_GB1_3 CB_GB1_48 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 416 OH_GB1_3 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 420 - OH_GB1_3 CB_GB1_49 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 422 - OH_GB1_3 CG2_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 424 + OH_GB1_3 CB_GB1_49 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 422 + OH_GB1_3 CG2_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 424 OH_GB1_3 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 428 OH_GB1_3 CB_GB1_50 1 3.840995e-03 1.933047e-05 ; 4.139677e-01 1.908030e-01 4.569658e-02 1.000054e-04 0.004395 0.001132 True md_ensemble 7 27 430 OH_GB1_3 CG_GB1_50 1 4.472100e-03 1.851867e-05 ; 4.007280e-01 2.699934e-01 2.120834e-01 1.000427e-04 0.004395 0.001132 True md_ensemble 7 27 431 @@ -4464,64 +4464,64 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 OH_GB1_3 CE_GB1_50 1 1.757624e-03 2.507935e-06 ; 3.355303e-01 3.079468e-01 4.425853e-01 4.823038e-04 0.004395 0.001132 True md_ensemble 7 27 433 OH_GB1_3 NZ_GB1_50 1 3.429620e-04 1.367799e-07 ; 2.713081e-01 2.149858e-01 7.302204e-02 2.651113e-04 0.004395 0.011584 True md_ensemble 7 27 434 OH_GB1_3 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 438 - OH_GB1_3 CB_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 440 - OH_GB1_3 CG2_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 442 + OH_GB1_3 CB_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 440 + OH_GB1_3 CG2_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 442 OH_GB1_3 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 446 - OH_GB1_3 CB_GB1_52 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 448 + OH_GB1_3 CB_GB1_52 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 448 OH_GB1_3 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 458 - OH_GB1_3 CB_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 460 - OH_GB1_3 CG2_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 462 + OH_GB1_3 CB_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 460 + OH_GB1_3 CG2_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 462 OH_GB1_3 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 466 - OH_GB1_3 CB_GB1_54 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 468 - OH_GB1_3 CG1_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 469 - OH_GB1_3 CG2_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 470 + OH_GB1_3 CB_GB1_54 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 468 + OH_GB1_3 CG1_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 469 + OH_GB1_3 CG2_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 470 OH_GB1_3 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 474 - OH_GB1_3 CB_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 476 - OH_GB1_3 CG2_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 478 + OH_GB1_3 CB_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 476 + OH_GB1_3 CG2_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 478 OH_GB1_3 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 482 - OH_GB1_3 CB_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 484 - OH_GB1_3 CG_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 485 - C_GB1_3 CB_GB1_4 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 33 - C_GB1_3 CG_GB1_4 1 0.000000e+00 6.331614e-06 ; 3.285649e-01 -6.331614e-06 1.000000e+00 9.996294e-01 0.004395 0.001132 True md_ensemble 4 28 34 - C_GB1_3 CD_GB1_4 1 0.000000e+00 8.297806e-06 ; 3.360536e-01 -8.297806e-06 7.141097e-02 3.814610e-01 0.004395 0.001132 True md_ensemble 5 28 35 - C_GB1_3 CE_GB1_4 1 0.000000e+00 6.762147e-06 ; 3.303711e-01 -6.762147e-06 9.025895e-03 7.662755e-02 0.004395 0.001132 True md_ensemble 6 28 36 - C_GB1_3 O_GB1_4 1 0.000000e+00 6.725233e-07 ; 2.725653e-01 -6.725233e-07 9.996519e-01 8.129164e-01 0.004395 0.001132 True md_ensemble 4 28 39 - C_GB1_3 N_GB1_5 1 0.000000e+00 1.497725e-06 ; 2.913719e-01 -1.497725e-06 9.872905e-01 9.803789e-01 0.004395 0.001132 True md_ensemble 4 28 40 - C_GB1_3 CA_GB1_5 1 0.000000e+00 2.114280e-05 ; 3.632943e-01 -2.114280e-05 2.738916e-01 8.937984e-01 0.004395 0.001132 True md_ensemble 5 28 42 - C_GB1_3 CB_GB1_5 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 43 - C_GB1_3 CG_GB1_5 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 44 - C_GB1_3 CD1_GB1_5 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 45 - C_GB1_3 CD2_GB1_5 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 46 + OH_GB1_3 CB_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 484 + OH_GB1_3 CG_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 27 485 + C_GB1_3 CB_GB1_4 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 33 + C_GB1_3 CG_GB1_4 1 0.000000e+00 6.331507e-06 ; 3.285645e-01 -6.331507e-06 1.000000e+00 9.996294e-01 0.004395 0.001132 True md_ensemble 4 28 34 + C_GB1_3 CD_GB1_4 1 0.000000e+00 8.297667e-06 ; 3.360532e-01 -8.297667e-06 7.141097e-02 3.814610e-01 0.004395 0.001132 True md_ensemble 5 28 35 + C_GB1_3 CE_GB1_4 1 0.000000e+00 6.762034e-06 ; 3.303706e-01 -6.762034e-06 9.025895e-03 7.662755e-02 0.004395 0.001132 True md_ensemble 6 28 36 + C_GB1_3 O_GB1_4 1 0.000000e+00 6.725202e-07 ; 2.725652e-01 -6.725202e-07 9.996519e-01 8.129164e-01 0.004395 0.001132 True md_ensemble 4 28 39 + C_GB1_3 N_GB1_5 1 0.000000e+00 1.497704e-06 ; 2.913716e-01 -1.497704e-06 9.872905e-01 9.803789e-01 0.004395 0.001132 True md_ensemble 4 28 40 + C_GB1_3 CA_GB1_5 1 0.000000e+00 2.114270e-05 ; 3.632941e-01 -2.114270e-05 2.738916e-01 8.937984e-01 0.004395 0.001132 True md_ensemble 5 28 42 + C_GB1_3 CB_GB1_5 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 43 + C_GB1_3 CG_GB1_5 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 44 + C_GB1_3 CD1_GB1_5 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 45 + C_GB1_3 CD2_GB1_5 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 46 C_GB1_3 C_GB1_5 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 0.000000e+00 2.162851e-01 0.004395 0.001132 True md_ensemble 6 28 47 - C_GB1_3 CB_GB1_6 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 52 - C_GB1_3 CG1_GB1_6 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 53 - C_GB1_3 CG2_GB1_6 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 54 - C_GB1_3 CD_GB1_6 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 55 - C_GB1_3 CB_GB1_7 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 61 - C_GB1_3 CG_GB1_7 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 62 - C_GB1_3 CD1_GB1_7 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 63 - C_GB1_3 CD2_GB1_7 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 64 - C_GB1_3 CB_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 70 - C_GB1_3 CA_GB1_9 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 78 - C_GB1_3 CB_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 84 - C_GB1_3 CG_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 85 - C_GB1_3 CD_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 86 - C_GB1_3 CE_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 87 - C_GB1_3 CB_GB1_11 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 94 - C_GB1_3 CG2_GB1_11 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 96 - C_GB1_3 CB_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 102 - C_GB1_3 CG_GB1_12 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 103 - C_GB1_3 CD1_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 104 - C_GB1_3 CD2_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 105 - C_GB1_3 CB_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 111 - C_GB1_3 CG_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 112 - C_GB1_3 CD_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 113 - C_GB1_3 CE_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 114 - C_GB1_3 CA_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 120 - C_GB1_3 CB_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 126 - C_GB1_3 CG_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 127 - C_GB1_3 CB_GB1_16 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 136 - C_GB1_3 CG2_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 138 + C_GB1_3 CB_GB1_6 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 52 + C_GB1_3 CG1_GB1_6 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 53 + C_GB1_3 CG2_GB1_6 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 54 + C_GB1_3 CD_GB1_6 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 55 + C_GB1_3 CB_GB1_7 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 61 + C_GB1_3 CG_GB1_7 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 62 + C_GB1_3 CD1_GB1_7 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 63 + C_GB1_3 CD2_GB1_7 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 64 + C_GB1_3 CB_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 70 + C_GB1_3 CA_GB1_9 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 78 + C_GB1_3 CB_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 84 + C_GB1_3 CG_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 85 + C_GB1_3 CD_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 86 + C_GB1_3 CE_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 87 + C_GB1_3 CB_GB1_11 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 94 + C_GB1_3 CG2_GB1_11 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 96 + C_GB1_3 CB_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 102 + C_GB1_3 CG_GB1_12 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 103 + C_GB1_3 CD1_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 104 + C_GB1_3 CD2_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 105 + C_GB1_3 CB_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 111 + C_GB1_3 CG_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 112 + C_GB1_3 CD_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 113 + C_GB1_3 CE_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 114 + C_GB1_3 CA_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 120 + C_GB1_3 CB_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 126 + C_GB1_3 CG_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 127 + C_GB1_3 CB_GB1_16 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 136 + C_GB1_3 CG2_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 138 C_GB1_3 CA_GB1_17 1 5.189845e-03 1.923892e-05 ; 3.934031e-01 3.500000e-01 1.000000e+00 0.000000e+00 0.004395 0.008482 True md_ensemble 7 28 143 C_GB1_3 CB_GB1_17 1 6.768302e-03 3.273232e-05 ; 4.112282e-01 3.498829e-01 9.977323e-01 7.464784e-04 0.004395 0.001132 True md_ensemble 7 28 144 C_GB1_3 OG1_GB1_17 1 9.598754e-04 1.244969e-06 ; 3.302357e-01 1.850167e-01 4.084840e-02 2.985667e-04 0.004395 0.011584 True md_ensemble 7 28 145 @@ -4533,88 +4533,88 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 C_GB1_3 CG2_GB1_18 1 7.804521e-03 4.670235e-05 ; 4.260875e-01 3.260572e-01 6.287092e-01 1.881365e-04 0.004395 0.001132 True md_ensemble 7 28 154 C_GB1_3 C_GB1_18 1 7.791412e-03 4.653507e-05 ; 4.259520e-01 3.261309e-01 6.296084e-01 0.000000e+00 0.004395 0.011584 True md_ensemble 7 28 155 C_GB1_3 O_GB1_18 1 2.390268e-03 4.085889e-06 ; 3.457854e-01 3.495800e-01 9.918916e-01 0.000000e+00 0.004395 0.011584 True md_ensemble 7 28 156 - C_GB1_3 CB_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 160 - C_GB1_3 CG_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 161 - C_GB1_3 CB_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 170 - C_GB1_3 CB_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 176 - C_GB1_3 CG1_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 177 - C_GB1_3 CG2_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 178 - C_GB1_3 CB_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 184 - C_GB1_3 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 193 - C_GB1_3 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 199 - C_GB1_3 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 205 - C_GB1_3 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 207 - C_GB1_3 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 213 - C_GB1_3 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 219 - C_GB1_3 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 220 - C_GB1_3 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 229 - C_GB1_3 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 230 - C_GB1_3 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 231 - C_GB1_3 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 232 - C_GB1_3 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 239 - C_GB1_3 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 240 - C_GB1_3 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 241 - C_GB1_3 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 247 + C_GB1_3 CB_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 160 + C_GB1_3 CG_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 161 + C_GB1_3 CB_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 170 + C_GB1_3 CB_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 176 + C_GB1_3 CG1_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 177 + C_GB1_3 CG2_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 178 + C_GB1_3 CB_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 184 + C_GB1_3 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 193 + C_GB1_3 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 199 + C_GB1_3 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 205 + C_GB1_3 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 207 + C_GB1_3 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 213 + C_GB1_3 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 219 + C_GB1_3 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 220 + C_GB1_3 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 229 + C_GB1_3 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 230 + C_GB1_3 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 231 + C_GB1_3 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 232 + C_GB1_3 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 239 + C_GB1_3 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 240 + C_GB1_3 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 241 + C_GB1_3 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 247 C_GB1_3 CD1_GB1_30 1 2.116838e-03 1.451070e-05 ; 4.358464e-01 7.720175e-02 5.053487e-03 2.994255e-04 0.004395 0.015243 True md_ensemble 7 28 249 C_GB1_3 CD2_GB1_30 1 2.116838e-03 1.451070e-05 ; 4.358464e-01 7.720175e-02 5.053487e-03 2.994255e-04 0.004395 0.015243 True md_ensemble 7 28 250 C_GB1_3 CE1_GB1_30 1 3.171365e-03 7.188362e-06 ; 3.624354e-01 3.497860e-01 9.958606e-01 3.501161e-04 0.004395 0.015243 True md_ensemble 7 28 251 C_GB1_3 CE2_GB1_30 1 3.171365e-03 7.188362e-06 ; 3.624354e-01 3.497860e-01 9.958606e-01 3.501161e-04 0.004395 0.015243 True md_ensemble 7 28 252 C_GB1_3 CZ_GB1_30 1 2.317013e-03 3.835904e-06 ; 3.439457e-01 3.498880e-01 9.978316e-01 2.906206e-04 0.004395 0.015243 True md_ensemble 7 28 253 - C_GB1_3 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 259 - C_GB1_3 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 260 - C_GB1_3 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 261 - C_GB1_3 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 262 - C_GB1_3 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 269 - C_GB1_3 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 270 - C_GB1_3 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 279 - C_GB1_3 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 292 - C_GB1_3 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 298 - C_GB1_3 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 307 - C_GB1_3 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 316 - C_GB1_3 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 324 - C_GB1_3 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 330 - C_GB1_3 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 331 - C_GB1_3 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 332 - C_GB1_3 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 338 - C_GB1_3 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 346 - C_GB1_3 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 352 - C_GB1_3 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 353 - C_GB1_3 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 362 - C_GB1_3 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 377 - C_GB1_3 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 379 - C_GB1_3 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 385 - C_GB1_3 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 398 - C_GB1_3 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 407 - C_GB1_3 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 416 - C_GB1_3 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 422 - C_GB1_3 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 424 + C_GB1_3 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 259 + C_GB1_3 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 260 + C_GB1_3 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 261 + C_GB1_3 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 262 + C_GB1_3 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 269 + C_GB1_3 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 270 + C_GB1_3 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 279 + C_GB1_3 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 292 + C_GB1_3 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 298 + C_GB1_3 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 307 + C_GB1_3 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 316 + C_GB1_3 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 324 + C_GB1_3 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 330 + C_GB1_3 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 331 + C_GB1_3 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 332 + C_GB1_3 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 338 + C_GB1_3 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 346 + C_GB1_3 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 352 + C_GB1_3 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 353 + C_GB1_3 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 362 + C_GB1_3 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 377 + C_GB1_3 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 379 + C_GB1_3 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 385 + C_GB1_3 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 398 + C_GB1_3 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 407 + C_GB1_3 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 416 + C_GB1_3 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 422 + C_GB1_3 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 424 C_GB1_3 CA_GB1_50 1 1.551286e-02 2.271765e-04 ; 4.946279e-01 2.648260e-01 1.918700e-01 9.993749e-05 0.004395 0.008482 True md_ensemble 7 28 429 C_GB1_3 CB_GB1_50 1 1.069003e-02 9.351376e-05 ; 4.539236e-01 3.055080e-01 4.221503e-01 8.266123e-05 0.004395 0.001132 True md_ensemble 7 28 430 - C_GB1_3 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 431 - C_GB1_3 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 432 - C_GB1_3 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 433 + C_GB1_3 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 431 + C_GB1_3 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 432 + C_GB1_3 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 433 C_GB1_3 C_GB1_50 1 7.693648e-03 4.720912e-05 ; 4.278737e-01 3.134575e-01 4.924776e-01 1.262127e-05 0.004395 0.011584 True md_ensemble 7 28 435 C_GB1_3 O_GB1_50 1 1.712002e-03 2.096491e-06 ; 3.270881e-01 3.495068e-01 9.904867e-01 1.000460e-04 0.004395 0.011584 True md_ensemble 7 28 436 C_GB1_3 CA_GB1_51 1 1.711786e-02 2.419909e-04 ; 4.917280e-01 3.027191e-01 3.999364e-01 1.517970e-05 0.004395 0.008482 True md_ensemble 7 28 439 - C_GB1_3 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 440 - C_GB1_3 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 442 - C_GB1_3 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 448 - C_GB1_3 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 460 - C_GB1_3 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 462 - C_GB1_3 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 468 - C_GB1_3 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 469 - C_GB1_3 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 470 - C_GB1_3 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 476 - C_GB1_3 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 478 - C_GB1_3 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 484 - C_GB1_3 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 485 + C_GB1_3 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 440 + C_GB1_3 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 442 + C_GB1_3 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 448 + C_GB1_3 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 460 + C_GB1_3 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 462 + C_GB1_3 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 468 + C_GB1_3 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 469 + C_GB1_3 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 470 + C_GB1_3 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 476 + C_GB1_3 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 478 + C_GB1_3 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 484 + C_GB1_3 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 28 485 O_GB1_3 O_GB1_3 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 29 29 O_GB1_3 H_GB1_4 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 29 31 - O_GB1_3 CB_GB1_4 1 0.000000e+00 2.015502e-06 ; 2.986714e-01 -2.015502e-06 9.999992e-01 9.999227e-01 0.004395 0.001132 True md_ensemble 4 29 33 - O_GB1_3 CG_GB1_4 1 0.000000e+00 2.298707e-06 ; 3.019618e-01 -2.298707e-06 4.770578e-01 6.174839e-01 0.004395 0.001132 True md_ensemble 5 29 34 - O_GB1_3 CD_GB1_4 1 0.000000e+00 2.224199e-06 ; 3.011338e-01 -2.224199e-06 1.606324e-02 1.195247e-01 0.004395 0.001132 True md_ensemble 6 29 35 + O_GB1_3 CB_GB1_4 1 0.000000e+00 2.015495e-06 ; 2.986713e-01 -2.015495e-06 9.999992e-01 9.999227e-01 0.004395 0.001132 True md_ensemble 4 29 33 + O_GB1_3 CG_GB1_4 1 0.000000e+00 2.298699e-06 ; 3.019617e-01 -2.298699e-06 4.770578e-01 6.174839e-01 0.004395 0.001132 True md_ensemble 5 29 34 + O_GB1_3 CD_GB1_4 1 0.000000e+00 2.224191e-06 ; 3.011337e-01 -2.224191e-06 1.606324e-02 1.195247e-01 0.004395 0.001132 True md_ensemble 6 29 35 O_GB1_3 CE_GB1_4 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 1.146592e-03 2.749237e-02 0.004395 0.007862 True md_ensemble 7 29 36 - O_GB1_3 C_GB1_4 1 0.000000e+00 8.213641e-07 ; 2.771445e-01 -8.213641e-07 1.000000e+00 9.932538e-01 0.004395 0.001132 True md_ensemble 4 29 38 + O_GB1_3 C_GB1_4 1 0.000000e+00 8.213603e-07 ; 2.771444e-01 -8.213603e-07 1.000000e+00 9.932538e-01 0.004395 0.001132 True md_ensemble 4 29 38 O_GB1_3 O_GB1_4 1 0.000000e+00 1.599354e-06 ; 2.929704e-01 -1.599354e-06 7.354969e-01 8.017332e-01 0.004395 0.001132 True md_ensemble 5 29 39 O_GB1_3 N_GB1_5 1 0.000000e+00 1.479250e-06 ; 2.910707e-01 -1.479250e-06 9.057158e-01 8.918823e-01 0.004395 0.001132 True md_ensemble 5 29 40 O_GB1_3 H_GB1_5 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 29 41 @@ -4860,60 +4860,60 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 O_GB1_3 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 29 488 O_GB1_3 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 29 490 O_GB1_3 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 29 491 - N_GB1_4 CB_GB1_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 33 - N_GB1_4 CG_GB1_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 34 - N_GB1_4 CD_GB1_4 1 0.000000e+00 4.294000e-06 ; 3.181023e-01 -4.294000e-06 7.851118e-01 9.532034e-01 0.004395 0.001132 True md_ensemble 4 30 35 - N_GB1_4 CE_GB1_4 1 0.000000e+00 4.699838e-06 ; 3.205053e-01 -4.699838e-06 2.371972e-02 3.022109e-01 0.004395 0.001132 True md_ensemble 5 30 36 + N_GB1_4 CB_GB1_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 33 + N_GB1_4 CG_GB1_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 34 + N_GB1_4 CD_GB1_4 1 0.000000e+00 4.293944e-06 ; 3.181020e-01 -4.293944e-06 7.851118e-01 9.532034e-01 0.004395 0.001132 True md_ensemble 4 30 35 + N_GB1_4 CE_GB1_4 1 0.000000e+00 4.699776e-06 ; 3.205050e-01 -4.699776e-06 2.371972e-02 3.022109e-01 0.004395 0.001132 True md_ensemble 5 30 36 N_GB1_4 NZ_GB1_4 1 0.000000e+00 8.752940e-07 ; 2.786171e-01 -8.752940e-07 2.326350e-04 2.847909e-02 0.004395 0.001132 True md_ensemble 6 30 37 - N_GB1_4 CA_GB1_5 1 0.000000e+00 7.574903e-06 ; 3.335107e-01 -7.574903e-06 9.999976e-01 9.999855e-01 0.004395 0.001132 True md_ensemble 4 30 42 - N_GB1_4 CB_GB1_5 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 43 - N_GB1_4 CG_GB1_5 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 44 - N_GB1_4 CD1_GB1_5 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 45 - N_GB1_4 CD2_GB1_5 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 46 + N_GB1_4 CA_GB1_5 1 0.000000e+00 7.574891e-06 ; 3.335106e-01 -7.574891e-06 9.999976e-01 9.999855e-01 0.004395 0.001132 True md_ensemble 4 30 42 + N_GB1_4 CB_GB1_5 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 43 + N_GB1_4 CG_GB1_5 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 44 + N_GB1_4 CD1_GB1_5 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 45 + N_GB1_4 CD2_GB1_5 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 46 N_GB1_4 C_GB1_5 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 0.000000e+00 1.445210e-01 0.004395 0.001132 True md_ensemble 5 30 47 N_GB1_4 O_GB1_5 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 0.000000e+00 2.500108e-01 0.004395 0.001132 True md_ensemble 6 30 48 N_GB1_4 N_GB1_6 1 0.000000e+00 8.752940e-07 ; 2.786171e-01 -8.752940e-07 0.000000e+00 5.063421e-02 0.004395 0.001132 True md_ensemble 6 30 49 - N_GB1_4 CB_GB1_6 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 52 - N_GB1_4 CG1_GB1_6 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 53 - N_GB1_4 CG2_GB1_6 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 54 - N_GB1_4 CD_GB1_6 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 55 + N_GB1_4 CB_GB1_6 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 52 + N_GB1_4 CG1_GB1_6 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 53 + N_GB1_4 CG2_GB1_6 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 54 + N_GB1_4 CD_GB1_6 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 55 N_GB1_4 N_GB1_7 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 3.687597e-04 0.004395 0.001132 True md_ensemble 7 30 58 - N_GB1_4 CB_GB1_7 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 61 - N_GB1_4 CG_GB1_7 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 62 - N_GB1_4 CD1_GB1_7 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 63 - N_GB1_4 CD2_GB1_7 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 64 + N_GB1_4 CB_GB1_7 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 61 + N_GB1_4 CG_GB1_7 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 62 + N_GB1_4 CD1_GB1_7 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 63 + N_GB1_4 CD2_GB1_7 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 64 N_GB1_4 N_GB1_8 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 9.967351e-05 0.004395 0.001132 True md_ensemble 7 30 67 - N_GB1_4 CB_GB1_8 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 70 + N_GB1_4 CB_GB1_8 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 70 N_GB1_4 N_GB1_9 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 30 76 - N_GB1_4 CA_GB1_9 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 78 + N_GB1_4 CA_GB1_9 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 78 N_GB1_4 N_GB1_10 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 30 81 - N_GB1_4 CB_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 84 - N_GB1_4 CG_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 85 - N_GB1_4 CD_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 86 - N_GB1_4 CE_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 87 + N_GB1_4 CB_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 84 + N_GB1_4 CG_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 85 + N_GB1_4 CD_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 86 + N_GB1_4 CE_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 87 N_GB1_4 NZ_GB1_10 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 8.709906e-04 0.004395 0.001132 True md_ensemble 7 30 88 N_GB1_4 N_GB1_11 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 30 91 - N_GB1_4 CB_GB1_11 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 94 - N_GB1_4 CG2_GB1_11 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 96 + N_GB1_4 CB_GB1_11 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 94 + N_GB1_4 CG2_GB1_11 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 96 N_GB1_4 N_GB1_12 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 30 99 - N_GB1_4 CB_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 102 - N_GB1_4 CG_GB1_12 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 103 - N_GB1_4 CD1_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 104 - N_GB1_4 CD2_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 105 + N_GB1_4 CB_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 102 + N_GB1_4 CG_GB1_12 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 103 + N_GB1_4 CD1_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 104 + N_GB1_4 CD2_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 105 N_GB1_4 N_GB1_13 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 30 108 - N_GB1_4 CB_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 111 - N_GB1_4 CG_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 112 - N_GB1_4 CD_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 113 - N_GB1_4 CE_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 114 + N_GB1_4 CB_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 111 + N_GB1_4 CG_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 112 + N_GB1_4 CD_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 113 + N_GB1_4 CE_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 114 N_GB1_4 NZ_GB1_13 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 4.849377e-06 0.004395 0.001132 True md_ensemble 7 30 115 N_GB1_4 N_GB1_14 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 30 118 - N_GB1_4 CA_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 120 + N_GB1_4 CA_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 120 N_GB1_4 N_GB1_15 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 30 123 - N_GB1_4 CB_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 126 - N_GB1_4 CG_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 127 + N_GB1_4 CB_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 126 + N_GB1_4 CG_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 127 N_GB1_4 N_GB1_16 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 30 133 - N_GB1_4 CB_GB1_16 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 136 - N_GB1_4 CG2_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 138 + N_GB1_4 CB_GB1_16 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 136 + N_GB1_4 CG2_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 138 N_GB1_4 O_GB1_16 1 5.762040e-03 2.703217e-05 ; 4.091515e-01 3.070517e-01 4.349733e-01 0.000000e+00 0.004395 0.011584 True md_ensemble 7 30 140 N_GB1_4 N_GB1_17 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 30 141 N_GB1_4 CA_GB1_17 1 9.318935e-03 6.206802e-05 ; 4.337608e-01 3.497878e-01 9.958954e-01 0.000000e+00 0.004395 0.008482 True md_ensemble 7 30 143 @@ -4921,100 +4921,100 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 N_GB1_4 OG1_GB1_17 1 8.177557e-04 1.473613e-06 ; 3.488403e-01 1.134498e-01 1.020296e-02 2.956860e-05 0.004395 0.011584 True md_ensemble 7 30 145 N_GB1_4 CG2_GB1_17 1 6.347837e-03 3.196349e-05 ; 4.140042e-01 3.151645e-01 5.090443e-01 6.720503e-04 0.004395 0.001132 True md_ensemble 7 30 146 N_GB1_4 N_GB1_18 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 6.753000e-04 0.000000e+00 0.004395 0.001132 True md_ensemble 7 30 149 - N_GB1_4 CB_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 152 - N_GB1_4 CG2_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 154 + N_GB1_4 CB_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 152 + N_GB1_4 CG2_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 154 N_GB1_4 N_GB1_19 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 30 157 - N_GB1_4 CB_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 160 - N_GB1_4 CG_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 161 + N_GB1_4 CB_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 160 + N_GB1_4 CG_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 161 N_GB1_4 N_GB1_20 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 30 167 - N_GB1_4 CB_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 170 + N_GB1_4 CB_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 170 N_GB1_4 N_GB1_21 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 30 173 - N_GB1_4 CB_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 176 - N_GB1_4 CG1_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 177 - N_GB1_4 CG2_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 178 + N_GB1_4 CB_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 176 + N_GB1_4 CG1_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 177 + N_GB1_4 CG2_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 178 N_GB1_4 N_GB1_22 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 30 181 - N_GB1_4 CB_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 184 + N_GB1_4 CB_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 184 N_GB1_4 N_GB1_23 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 30 190 - N_GB1_4 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 193 + N_GB1_4 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 193 N_GB1_4 N_GB1_24 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 30 196 - N_GB1_4 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 199 + N_GB1_4 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 199 N_GB1_4 N_GB1_25 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 30 202 - N_GB1_4 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 205 - N_GB1_4 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 207 + N_GB1_4 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 205 + N_GB1_4 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 207 N_GB1_4 N_GB1_26 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 30 210 - N_GB1_4 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 213 + N_GB1_4 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 213 N_GB1_4 N_GB1_27 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 30 216 - N_GB1_4 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 219 - N_GB1_4 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 220 + N_GB1_4 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 219 + N_GB1_4 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 220 N_GB1_4 N_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 30 226 - N_GB1_4 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 229 - N_GB1_4 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 230 - N_GB1_4 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 231 - N_GB1_4 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 232 + N_GB1_4 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 229 + N_GB1_4 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 230 + N_GB1_4 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 231 + N_GB1_4 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 232 N_GB1_4 NZ_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 30 233 N_GB1_4 N_GB1_29 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 30 236 - N_GB1_4 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 239 - N_GB1_4 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 240 - N_GB1_4 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 241 + N_GB1_4 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 239 + N_GB1_4 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 240 + N_GB1_4 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 241 N_GB1_4 N_GB1_30 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 30 244 - N_GB1_4 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 247 + N_GB1_4 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 247 N_GB1_4 CE1_GB1_30 1 2.739015e-03 5.403874e-06 ; 3.541483e-01 3.470752e-01 9.448857e-01 2.000341e-04 0.004395 0.015244 True md_ensemble 7 30 251 N_GB1_4 CE2_GB1_30 1 2.739015e-03 5.403874e-06 ; 3.541483e-01 3.470752e-01 9.448857e-01 2.000341e-04 0.004395 0.015244 True md_ensemble 7 30 252 N_GB1_4 CZ_GB1_30 1 2.603448e-03 4.872674e-06 ; 3.510506e-01 3.477526e-01 9.573735e-01 1.753561e-04 0.004395 0.015244 True md_ensemble 7 30 253 N_GB1_4 N_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 30 256 - N_GB1_4 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 259 - N_GB1_4 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 260 - N_GB1_4 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 261 - N_GB1_4 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 262 + N_GB1_4 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 259 + N_GB1_4 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 260 + N_GB1_4 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 261 + N_GB1_4 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 262 N_GB1_4 NZ_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 5.112520e-06 0.004395 0.001132 True md_ensemble 7 30 263 N_GB1_4 N_GB1_32 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 30 266 - N_GB1_4 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 269 - N_GB1_4 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 270 + N_GB1_4 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 269 + N_GB1_4 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 270 N_GB1_4 N_GB1_33 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 30 276 - N_GB1_4 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 279 + N_GB1_4 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 279 N_GB1_4 N_GB1_34 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 30 289 - N_GB1_4 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 292 + N_GB1_4 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 292 N_GB1_4 N_GB1_35 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 30 295 - N_GB1_4 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 298 + N_GB1_4 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 298 N_GB1_4 N_GB1_36 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 30 304 - N_GB1_4 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 307 + N_GB1_4 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 307 N_GB1_4 N_GB1_37 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 30 313 - N_GB1_4 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 316 + N_GB1_4 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 316 N_GB1_4 N_GB1_38 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 30 322 - N_GB1_4 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 324 + N_GB1_4 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 324 N_GB1_4 N_GB1_39 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 30 327 - N_GB1_4 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 330 - N_GB1_4 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 331 - N_GB1_4 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 332 + N_GB1_4 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 330 + N_GB1_4 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 331 + N_GB1_4 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 332 N_GB1_4 N_GB1_40 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 30 335 - N_GB1_4 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 338 + N_GB1_4 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 338 N_GB1_4 N_GB1_41 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 30 344 - N_GB1_4 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 346 + N_GB1_4 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 346 N_GB1_4 N_GB1_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 30 349 - N_GB1_4 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 352 - N_GB1_4 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 353 + N_GB1_4 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 352 + N_GB1_4 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 353 N_GB1_4 N_GB1_43 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 30 359 - N_GB1_4 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 362 + N_GB1_4 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 362 N_GB1_4 N_GB1_44 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 30 374 - N_GB1_4 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 377 - N_GB1_4 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 379 + N_GB1_4 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 377 + N_GB1_4 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 379 N_GB1_4 N_GB1_45 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 30 382 - N_GB1_4 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 385 + N_GB1_4 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 385 N_GB1_4 N_GB1_46 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 30 395 - N_GB1_4 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 398 + N_GB1_4 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 398 N_GB1_4 N_GB1_47 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 30 404 - N_GB1_4 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 407 + N_GB1_4 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 407 N_GB1_4 N_GB1_48 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 30 413 - N_GB1_4 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 416 + N_GB1_4 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 416 N_GB1_4 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 30 419 - N_GB1_4 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 422 - N_GB1_4 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 424 + N_GB1_4 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 422 + N_GB1_4 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 424 N_GB1_4 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 30 427 N_GB1_4 CA_GB1_50 1 1.253924e-02 1.218821e-04 ; 4.619675e-01 3.225095e-01 5.869296e-01 0.000000e+00 0.004395 0.008482 True md_ensemble 7 30 429 N_GB1_4 CB_GB1_50 1 7.740724e-03 5.210465e-05 ; 4.345260e-01 2.874926e-01 2.977243e-01 0.000000e+00 0.004395 0.001132 True md_ensemble 7 30 430 - N_GB1_4 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 431 - N_GB1_4 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 432 - N_GB1_4 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 433 + N_GB1_4 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 431 + N_GB1_4 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 432 + N_GB1_4 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 433 N_GB1_4 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 3.975419e-05 0.004395 0.001132 True md_ensemble 7 30 434 N_GB1_4 C_GB1_50 1 3.434491e-03 8.463805e-06 ; 3.675224e-01 3.484169e-01 9.697806e-01 0.000000e+00 0.004395 0.011584 True md_ensemble 7 30 435 N_GB1_4 O_GB1_50 1 4.064237e-04 1.179883e-07 ; 2.573218e-01 3.499928e-01 9.998612e-01 1.000613e-04 0.004395 0.011584 True md_ensemble 7 30 436 @@ -5024,22 +5024,22 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 N_GB1_4 OG1_GB1_51 1 1.440793e-03 4.174388e-06 ; 3.775709e-01 1.243228e-01 1.259664e-02 0.000000e+00 0.004395 0.011584 True md_ensemble 7 30 441 N_GB1_4 CG2_GB1_51 1 4.037402e-03 2.644913e-05 ; 4.325652e-01 1.540752e-01 2.242383e-02 0.000000e+00 0.004395 0.001132 True md_ensemble 7 30 442 N_GB1_4 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 6.065325e-04 0.000000e+00 0.004395 0.001132 True md_ensemble 7 30 445 - N_GB1_4 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 448 + N_GB1_4 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 448 N_GB1_4 CD1_GB1_52 1 4.133303e-03 1.958493e-05 ; 4.098303e-01 2.180784e-01 7.753314e-02 0.000000e+00 0.004395 0.015244 True md_ensemble 7 30 450 N_GB1_4 CD2_GB1_52 1 4.133303e-03 1.958493e-05 ; 4.098303e-01 2.180784e-01 7.753314e-02 0.000000e+00 0.004395 0.015244 True md_ensemble 7 30 451 N_GB1_4 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 30 457 - N_GB1_4 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 460 - N_GB1_4 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 462 + N_GB1_4 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 460 + N_GB1_4 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 462 N_GB1_4 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 30 465 - N_GB1_4 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 468 - N_GB1_4 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 469 - N_GB1_4 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 470 + N_GB1_4 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 468 + N_GB1_4 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 469 + N_GB1_4 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 470 N_GB1_4 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 30 473 - N_GB1_4 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 476 - N_GB1_4 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 478 + N_GB1_4 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 476 + N_GB1_4 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 478 N_GB1_4 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 30 481 - N_GB1_4 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 484 - N_GB1_4 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 485 + N_GB1_4 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 484 + N_GB1_4 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 30 485 H_GB1_4 H_GB1_4 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 31 31 H_GB1_4 O_GB1_4 1 2.235335e-05 1.651013e-09 ; 2.048337e-01 7.566148e-02 9.978073e-01 2.302132e-01 0.004395 0.001132 True md_ensemble 4 31 39 H_GB1_4 H_GB1_5 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 31 41 @@ -5183,17 +5183,17 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 H_GB1_4 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 31 488 H_GB1_4 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 31 490 H_GB1_4 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 31 491 - CA_GB1_4 CE_GB1_4 1 0.000000e+00 3.181325e-05 ; 3.758769e-01 -3.181325e-05 9.999995e-01 9.999869e-01 0.004395 0.001132 True md_ensemble 4 32 36 - CA_GB1_4 NZ_GB1_4 1 0.000000e+00 1.060267e-05 ; 3.429885e-01 -1.060267e-05 6.254364e-02 4.622372e-01 0.004395 0.001132 True md_ensemble 5 32 37 - CA_GB1_4 CB_GB1_5 1 0.000000e+00 3.181357e-05 ; 3.758772e-01 -3.181357e-05 9.999960e-01 9.999933e-01 0.004395 0.001132 True md_ensemble 4 32 43 - CA_GB1_4 CG_GB1_5 1 0.000000e+00 6.665662e-05 ; 3.997747e-01 -6.665662e-05 9.773494e-01 9.941425e-01 0.004395 0.001132 True md_ensemble 5 32 44 + CA_GB1_4 CE_GB1_4 1 0.000000e+00 3.181312e-05 ; 3.758768e-01 -3.181312e-05 9.999995e-01 9.999869e-01 0.004395 0.001132 True md_ensemble 4 32 36 + CA_GB1_4 NZ_GB1_4 1 0.000000e+00 1.060265e-05 ; 3.429885e-01 -1.060265e-05 6.254364e-02 4.622372e-01 0.004395 0.001132 True md_ensemble 5 32 37 + CA_GB1_4 CB_GB1_5 1 0.000000e+00 3.181343e-05 ; 3.758771e-01 -3.181343e-05 9.999960e-01 9.999933e-01 0.004395 0.001132 True md_ensemble 4 32 43 + CA_GB1_4 CG_GB1_5 1 0.000000e+00 6.665711e-05 ; 3.997749e-01 -6.665711e-05 9.773494e-01 9.941425e-01 0.004395 0.001132 True md_ensemble 5 32 44 CA_GB1_4 CD1_GB1_5 1 0.000000e+00 2.373791e-05 ; 3.668162e-01 -2.373791e-05 5.125000e-07 2.042627e-01 0.004395 0.001132 True md_ensemble 6 32 45 CA_GB1_4 CD2_GB1_5 1 0.000000e+00 2.373791e-05 ; 3.668162e-01 -2.373791e-05 0.000000e+00 5.399512e-01 0.004395 0.001132 True md_ensemble 6 32 46 - CA_GB1_4 C_GB1_5 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 9.999973e-01 9.999969e-01 0.004395 0.001132 True md_ensemble 4 32 47 - CA_GB1_4 O_GB1_5 1 0.000000e+00 2.763236e-06 ; 3.066290e-01 -2.763236e-06 9.379563e-01 6.032361e-01 0.004395 0.001132 True md_ensemble 5 32 48 - CA_GB1_4 N_GB1_6 1 0.000000e+00 7.767186e-06 ; 3.342081e-01 -7.767186e-06 5.097101e-01 5.350819e-01 0.004395 0.001132 True md_ensemble 5 32 49 - CA_GB1_4 CA_GB1_6 1 0.000000e+00 8.287726e-05 ; 4.070970e-01 -8.287726e-05 2.712781e-01 5.355039e-01 0.004395 0.001132 True md_ensemble 6 32 51 - CA_GB1_4 CB_GB1_6 1 0.000000e+00 8.346663e-05 ; 4.073375e-01 -8.346663e-05 8.571060e-03 2.817873e-01 0.004395 0.006476 True md_ensemble 7 32 52 + CA_GB1_4 C_GB1_5 1 0.000000e+00 1.305179e-05 ; 3.489802e-01 -1.305179e-05 9.999973e-01 9.999969e-01 0.004395 0.001132 True md_ensemble 4 32 47 + CA_GB1_4 O_GB1_5 1 0.000000e+00 2.763258e-06 ; 3.066292e-01 -2.763258e-06 9.379563e-01 6.032361e-01 0.004395 0.001132 True md_ensemble 5 32 48 + CA_GB1_4 N_GB1_6 1 0.000000e+00 7.767174e-06 ; 3.342081e-01 -7.767174e-06 5.097101e-01 5.350819e-01 0.004395 0.001132 True md_ensemble 5 32 49 + CA_GB1_4 CA_GB1_6 1 0.000000e+00 8.287787e-05 ; 4.070973e-01 -8.287787e-05 2.712781e-01 5.355039e-01 0.004395 0.001132 True md_ensemble 6 32 51 + CA_GB1_4 CB_GB1_6 1 0.000000e+00 8.346725e-05 ; 4.073378e-01 -8.346725e-05 8.571060e-03 2.817873e-01 0.004395 0.006476 True md_ensemble 7 32 52 CA_GB1_4 CG1_GB1_6 1 1.064926e-02 2.214374e-04 ; 5.243910e-01 1.280349e-01 3.813137e-01 2.004693e-01 0.004395 0.007117 True md_ensemble 7 32 53 CA_GB1_4 CD_GB1_6 1 6.348790e-03 1.021490e-04 ; 5.024473e-01 9.864794e-02 4.685510e-02 6.582484e-02 0.004395 0.010759 True md_ensemble 7 32 55 CA_GB1_4 CG_GB1_15 1 1.687913e-02 3.188085e-04 ; 5.160558e-01 2.234140e-01 8.598098e-02 6.470727e-04 0.004395 0.007117 True md_ensemble 7 32 127 @@ -5234,63 +5234,63 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CA_GB1_4 CD2_GB1_52 1 1.558503e-02 1.899109e-04 ; 4.797044e-01 3.197461e-01 5.563189e-01 5.250102e-06 0.004395 0.010759 True md_ensemble 7 32 451 CA_GB1_4 CE1_GB1_52 1 6.552524e-03 9.610925e-05 ; 4.947579e-01 1.116843e-01 9.859710e-03 1.999741e-04 0.004395 0.010759 True md_ensemble 7 32 452 CA_GB1_4 CE2_GB1_52 1 6.552524e-03 9.610925e-05 ; 4.947579e-01 1.116843e-01 9.859710e-03 1.999741e-04 0.004395 0.010759 True md_ensemble 7 32 453 - CB_GB1_4 NZ_GB1_4 1 0.000000e+00 3.823409e-06 ; 3.150401e-01 -3.823409e-06 9.172189e-01 9.572962e-01 0.004395 0.001132 True md_ensemble 4 33 37 - CB_GB1_4 C_GB1_4 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 38 + CB_GB1_4 NZ_GB1_4 1 0.000000e+00 3.823359e-06 ; 3.150398e-01 -3.823359e-06 9.172189e-01 9.572962e-01 0.004395 0.001132 True md_ensemble 4 33 37 + CB_GB1_4 C_GB1_4 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 38 CB_GB1_4 O_GB1_4 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 39 - CB_GB1_4 N_GB1_5 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 40 - CB_GB1_4 CA_GB1_5 1 0.000000e+00 3.181365e-05 ; 3.758773e-01 -3.181365e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 33 42 - CB_GB1_4 CB_GB1_5 1 0.000000e+00 1.880012e-05 ; 3.597563e-01 -1.880012e-05 4.066950e-01 6.244062e-01 0.004395 0.001132 True md_ensemble 5 33 43 + CB_GB1_4 N_GB1_5 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 40 + CB_GB1_4 CA_GB1_5 1 0.000000e+00 3.181352e-05 ; 3.758772e-01 -3.181352e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 33 42 + CB_GB1_4 CB_GB1_5 1 0.000000e+00 1.879982e-05 ; 3.597558e-01 -1.879982e-05 4.066950e-01 6.244062e-01 0.004395 0.001132 True md_ensemble 5 33 43 CB_GB1_4 CG_GB1_5 1 0.000000e+00 3.181365e-05 ; 3.758773e-01 -3.181365e-05 0.000000e+00 5.523703e-01 0.004395 0.001132 True md_ensemble 6 33 44 - CB_GB1_4 C_GB1_5 1 0.000000e+00 1.918565e-06 ; 2.974471e-01 -1.918565e-06 9.956172e-01 2.985185e-01 0.004395 0.001132 True md_ensemble 5 33 47 - CB_GB1_4 O_GB1_5 1 0.000000e+00 1.779760e-06 ; 2.955914e-01 -1.779760e-06 2.389746e-01 1.219427e-01 0.004395 0.001132 True md_ensemble 6 33 48 - CB_GB1_4 N_GB1_6 1 0.000000e+00 3.961309e-06 ; 3.159717e-01 -3.961309e-06 3.317089e-02 1.107608e-01 0.004395 0.001132 True md_ensemble 6 33 49 - CB_GB1_4 CA_GB1_6 1 0.000000e+00 3.374461e-05 ; 3.777276e-01 -3.374461e-05 6.399187e-02 1.246876e-01 0.004395 0.007117 True md_ensemble 7 33 51 - CB_GB1_4 CB_GB1_6 1 0.000000e+00 3.371087e-05 ; 3.776961e-01 -3.371087e-05 3.653911e-02 9.617448e-02 0.004395 0.007117 True md_ensemble 7 33 52 + CB_GB1_4 C_GB1_5 1 0.000000e+00 1.918533e-06 ; 2.974467e-01 -1.918533e-06 9.956172e-01 2.985185e-01 0.004395 0.001132 True md_ensemble 5 33 47 + CB_GB1_4 O_GB1_5 1 0.000000e+00 1.779754e-06 ; 2.955913e-01 -1.779754e-06 2.389746e-01 1.219427e-01 0.004395 0.001132 True md_ensemble 6 33 48 + CB_GB1_4 N_GB1_6 1 0.000000e+00 3.961256e-06 ; 3.159714e-01 -3.961256e-06 3.317089e-02 1.107608e-01 0.004395 0.001132 True md_ensemble 6 33 49 + CB_GB1_4 CA_GB1_6 1 0.000000e+00 3.374446e-05 ; 3.777274e-01 -3.374446e-05 6.399187e-02 1.246876e-01 0.004395 0.007117 True md_ensemble 7 33 51 + CB_GB1_4 CB_GB1_6 1 0.000000e+00 3.371073e-05 ; 3.776960e-01 -3.371073e-05 3.653911e-02 9.617448e-02 0.004395 0.007117 True md_ensemble 7 33 52 CB_GB1_4 CG1_GB1_6 1 9.234755e-03 9.879386e-05 ; 4.694083e-01 2.158047e-01 7.304868e-01 7.739172e-02 0.004395 0.007860 True md_ensemble 7 33 53 CB_GB1_4 CD_GB1_6 1 6.822832e-03 5.418960e-05 ; 4.466752e-01 2.147600e-01 2.510935e-01 4.196638e-02 0.004395 0.012151 True md_ensemble 7 33 55 - CB_GB1_4 C_GB1_6 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 56 + CB_GB1_4 C_GB1_6 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 56 CB_GB1_4 O_GB1_6 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.151437e-02 0.004395 0.007862 True md_ensemble 7 33 57 - CB_GB1_4 N_GB1_7 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 58 - CB_GB1_4 C_GB1_7 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 65 + CB_GB1_4 N_GB1_7 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 58 + CB_GB1_4 C_GB1_7 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 65 CB_GB1_4 O_GB1_7 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.983600e-03 0.004395 0.007862 True md_ensemble 7 33 66 - CB_GB1_4 N_GB1_8 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 67 - CB_GB1_4 CG_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 71 + CB_GB1_4 N_GB1_8 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 67 + CB_GB1_4 CG_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 71 CB_GB1_4 OD1_GB1_8 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.348131e-03 0.004395 0.007862 True md_ensemble 7 33 72 - CB_GB1_4 ND2_GB1_8 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 73 - CB_GB1_4 C_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 74 + CB_GB1_4 ND2_GB1_8 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 73 + CB_GB1_4 C_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 74 CB_GB1_4 O_GB1_8 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.270900e-03 0.004395 0.007862 True md_ensemble 7 33 75 - CB_GB1_4 N_GB1_9 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 76 - CB_GB1_4 C_GB1_9 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 79 + CB_GB1_4 N_GB1_9 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 76 + CB_GB1_4 C_GB1_9 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 79 CB_GB1_4 O_GB1_9 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.539005e-03 0.004395 0.007862 True md_ensemble 7 33 80 - CB_GB1_4 N_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 81 - CB_GB1_4 NZ_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 88 - CB_GB1_4 C_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 89 + CB_GB1_4 N_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 81 + CB_GB1_4 NZ_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 88 + CB_GB1_4 C_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 89 CB_GB1_4 O_GB1_10 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.379447e-04 0.004395 0.007862 True md_ensemble 7 33 90 - CB_GB1_4 N_GB1_11 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 91 - CB_GB1_4 OG1_GB1_11 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 95 - CB_GB1_4 C_GB1_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 97 + CB_GB1_4 N_GB1_11 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 91 + CB_GB1_4 OG1_GB1_11 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 95 + CB_GB1_4 C_GB1_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 97 CB_GB1_4 O_GB1_11 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.188351e-04 0.004395 0.007862 True md_ensemble 7 33 98 - CB_GB1_4 N_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 99 - CB_GB1_4 C_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 106 + CB_GB1_4 N_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 99 + CB_GB1_4 C_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 106 CB_GB1_4 O_GB1_12 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.241708e-04 0.004395 0.007862 True md_ensemble 7 33 107 - CB_GB1_4 N_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 108 - CB_GB1_4 NZ_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 115 - CB_GB1_4 C_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 116 + CB_GB1_4 N_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 108 + CB_GB1_4 NZ_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 115 + CB_GB1_4 C_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 116 CB_GB1_4 O_GB1_13 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.916794e-04 0.004395 0.007862 True md_ensemble 7 33 117 - CB_GB1_4 N_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 118 - CB_GB1_4 C_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 121 + CB_GB1_4 N_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 118 + CB_GB1_4 C_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 121 CB_GB1_4 O_GB1_14 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.820756e-04 0.004395 0.007862 True md_ensemble 7 33 122 - CB_GB1_4 N_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 123 + CB_GB1_4 N_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 123 CB_GB1_4 CB_GB1_15 1 8.281087e-03 1.250159e-04 ; 4.971411e-01 1.371353e-01 1.614770e-02 1.047002e-04 0.004395 0.007860 True md_ensemble 7 33 126 CB_GB1_4 CG_GB1_15 1 1.055136e-02 1.012144e-04 ; 4.609519e-01 2.749888e-01 2.336457e-01 3.955947e-04 0.004395 0.007860 True md_ensemble 7 33 127 CB_GB1_4 CD_GB1_15 1 3.051236e-03 1.636974e-05 ; 4.184026e-01 1.421837e-01 1.780769e-02 7.390971e-04 0.004395 0.001132 True md_ensemble 7 33 128 - CB_GB1_4 OE1_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 129 - CB_GB1_4 OE2_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 130 - CB_GB1_4 C_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 131 + CB_GB1_4 OE1_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 129 + CB_GB1_4 OE2_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 130 + CB_GB1_4 C_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 131 CB_GB1_4 O_GB1_15 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.029666e-05 0.004395 0.007862 True md_ensemble 7 33 132 - CB_GB1_4 N_GB1_16 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 133 + CB_GB1_4 N_GB1_16 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 133 CB_GB1_4 CA_GB1_16 1 2.316419e-02 5.116310e-04 ; 5.296919e-01 2.621907e-01 1.823156e-01 4.226313e-04 0.004395 0.007117 True md_ensemble 7 33 135 - CB_GB1_4 OG1_GB1_16 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 137 + CB_GB1_4 OG1_GB1_16 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 137 CB_GB1_4 C_GB1_16 1 1.054723e-02 8.426665e-05 ; 4.471153e-01 3.300357e-01 6.791111e-01 9.999984e-05 0.004395 0.001132 True md_ensemble 7 33 139 CB_GB1_4 O_GB1_16 1 2.869921e-03 5.907991e-06 ; 3.566660e-01 3.485298e-01 9.719057e-01 1.810549e-04 0.004395 0.007862 True md_ensemble 7 33 140 CB_GB1_4 N_GB1_17 1 5.102110e-03 3.588622e-05 ; 4.377199e-01 1.813477e-01 3.804424e-02 0.000000e+00 0.004395 0.001132 True md_ensemble 7 33 141 @@ -5298,153 +5298,153 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CB_GB1_4 CB_GB1_17 1 1.096632e-02 8.596884e-05 ; 4.457042e-01 3.497203e-01 9.945933e-01 9.547380e-04 0.004395 0.007117 True md_ensemble 7 33 144 CB_GB1_4 OG1_GB1_17 1 1.857289e-03 3.873984e-06 ; 3.574482e-01 2.226081e-01 8.464833e-02 3.924275e-04 0.004395 0.001132 True md_ensemble 7 33 145 CB_GB1_4 CG2_GB1_17 1 3.178756e-03 7.278107e-06 ; 3.630448e-01 3.470851e-01 9.450662e-01 1.393037e-03 0.004395 0.012151 True md_ensemble 7 33 146 - CB_GB1_4 C_GB1_17 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 147 + CB_GB1_4 C_GB1_17 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 147 CB_GB1_4 O_GB1_17 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 8.427412e-05 0.004395 0.007862 True md_ensemble 7 33 148 - CB_GB1_4 N_GB1_18 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 149 - CB_GB1_4 OG1_GB1_18 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 153 - CB_GB1_4 C_GB1_18 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 155 + CB_GB1_4 N_GB1_18 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 149 + CB_GB1_4 OG1_GB1_18 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 153 + CB_GB1_4 C_GB1_18 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 155 CB_GB1_4 O_GB1_18 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 33 156 - CB_GB1_4 N_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 157 - CB_GB1_4 CD_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 162 - CB_GB1_4 OE1_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 163 - CB_GB1_4 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 164 - CB_GB1_4 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 165 + CB_GB1_4 N_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 157 + CB_GB1_4 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 162 + CB_GB1_4 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 163 + CB_GB1_4 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 164 + CB_GB1_4 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 165 CB_GB1_4 O_GB1_19 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 33 166 - CB_GB1_4 N_GB1_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 167 - CB_GB1_4 C_GB1_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 171 + CB_GB1_4 N_GB1_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 167 + CB_GB1_4 C_GB1_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 171 CB_GB1_4 O_GB1_20 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.416487e-04 0.004395 0.007862 True md_ensemble 7 33 172 - CB_GB1_4 N_GB1_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 173 - CB_GB1_4 C_GB1_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 179 + CB_GB1_4 N_GB1_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 173 + CB_GB1_4 C_GB1_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 179 CB_GB1_4 O_GB1_21 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.998788e-04 0.004395 0.007862 True md_ensemble 7 33 180 - CB_GB1_4 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 181 - CB_GB1_4 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 185 - CB_GB1_4 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 186 - CB_GB1_4 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 187 - CB_GB1_4 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 188 + CB_GB1_4 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 181 + CB_GB1_4 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 185 + CB_GB1_4 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 186 + CB_GB1_4 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 187 + CB_GB1_4 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 188 CB_GB1_4 O_GB1_22 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000060e-04 0.004395 0.007862 True md_ensemble 7 33 189 - CB_GB1_4 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 190 - CB_GB1_4 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 194 + CB_GB1_4 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 190 + CB_GB1_4 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 194 CB_GB1_4 O_GB1_23 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000654e-04 0.004395 0.007862 True md_ensemble 7 33 195 - CB_GB1_4 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 196 - CB_GB1_4 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 200 + CB_GB1_4 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 196 + CB_GB1_4 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 200 CB_GB1_4 O_GB1_24 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.115484e-05 0.004395 0.007862 True md_ensemble 7 33 201 - CB_GB1_4 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 202 - CB_GB1_4 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 206 - CB_GB1_4 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 208 + CB_GB1_4 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 202 + CB_GB1_4 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 206 + CB_GB1_4 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 208 CB_GB1_4 O_GB1_25 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.523605e-05 0.004395 0.007862 True md_ensemble 7 33 209 - CB_GB1_4 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 210 - CB_GB1_4 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 214 + CB_GB1_4 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 210 + CB_GB1_4 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 214 CB_GB1_4 O_GB1_26 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000659e-04 0.004395 0.007862 True md_ensemble 7 33 215 - CB_GB1_4 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 216 - CB_GB1_4 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 221 - CB_GB1_4 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 222 - CB_GB1_4 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 223 - CB_GB1_4 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 224 + CB_GB1_4 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 216 + CB_GB1_4 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 221 + CB_GB1_4 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 222 + CB_GB1_4 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 223 + CB_GB1_4 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 224 CB_GB1_4 O_GB1_27 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000530e-04 0.004395 0.007862 True md_ensemble 7 33 225 - CB_GB1_4 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 226 - CB_GB1_4 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 233 - CB_GB1_4 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 234 + CB_GB1_4 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 226 + CB_GB1_4 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 233 + CB_GB1_4 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 234 CB_GB1_4 O_GB1_28 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.953347e-04 0.004395 0.007862 True md_ensemble 7 33 235 - CB_GB1_4 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 236 - CB_GB1_4 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 242 + CB_GB1_4 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 236 + CB_GB1_4 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 242 CB_GB1_4 O_GB1_29 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000080e-04 0.004395 0.007862 True md_ensemble 7 33 243 - CB_GB1_4 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 244 + CB_GB1_4 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 244 CB_GB1_4 CE1_GB1_30 1 5.459618e-03 5.862309e-05 ; 4.696969e-01 1.271147e-01 1.329711e-02 3.000132e-04 0.004395 0.012152 True md_ensemble 7 33 251 CB_GB1_4 CE2_GB1_30 1 5.459618e-03 5.862309e-05 ; 4.696969e-01 1.271147e-01 1.329711e-02 3.000132e-04 0.004395 0.012152 True md_ensemble 7 33 252 CB_GB1_4 CZ_GB1_30 1 9.652164e-03 9.679237e-05 ; 4.643756e-01 2.406292e-01 1.200381e-01 3.759743e-04 0.004395 0.012152 True md_ensemble 7 33 253 - CB_GB1_4 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 254 + CB_GB1_4 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 254 CB_GB1_4 O_GB1_30 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 33 255 - CB_GB1_4 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 256 - CB_GB1_4 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 263 - CB_GB1_4 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 264 + CB_GB1_4 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 256 + CB_GB1_4 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 263 + CB_GB1_4 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 264 CB_GB1_4 O_GB1_31 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.077775e-04 0.004395 0.007862 True md_ensemble 7 33 265 - CB_GB1_4 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 266 - CB_GB1_4 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 271 + CB_GB1_4 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 266 + CB_GB1_4 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 271 CB_GB1_4 OE1_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.230926e-05 0.004395 0.007862 True md_ensemble 7 33 272 - CB_GB1_4 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 273 - CB_GB1_4 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 274 + CB_GB1_4 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 273 + CB_GB1_4 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 274 CB_GB1_4 O_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 33 275 - CB_GB1_4 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 276 - CB_GB1_4 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 286 - CB_GB1_4 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 287 + CB_GB1_4 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 276 + CB_GB1_4 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 286 + CB_GB1_4 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 287 CB_GB1_4 O_GB1_33 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.986047e-05 0.004395 0.007862 True md_ensemble 7 33 288 - CB_GB1_4 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 289 - CB_GB1_4 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 293 + CB_GB1_4 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 289 + CB_GB1_4 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 293 CB_GB1_4 O_GB1_34 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 33 294 - CB_GB1_4 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 295 - CB_GB1_4 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 299 + CB_GB1_4 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 295 + CB_GB1_4 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 299 CB_GB1_4 OD1_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 33 300 - CB_GB1_4 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 301 - CB_GB1_4 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 302 + CB_GB1_4 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 301 + CB_GB1_4 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 302 CB_GB1_4 O_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 33 303 - CB_GB1_4 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 304 - CB_GB1_4 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 308 - CB_GB1_4 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 309 - CB_GB1_4 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 310 - CB_GB1_4 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 311 + CB_GB1_4 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 304 + CB_GB1_4 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 308 + CB_GB1_4 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 309 + CB_GB1_4 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 310 + CB_GB1_4 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 311 CB_GB1_4 O_GB1_36 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 33 312 - CB_GB1_4 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 313 - CB_GB1_4 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 317 + CB_GB1_4 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 313 + CB_GB1_4 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 317 CB_GB1_4 OD1_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.409474e-04 0.004395 0.007862 True md_ensemble 7 33 318 - CB_GB1_4 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 319 - CB_GB1_4 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 320 + CB_GB1_4 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 319 + CB_GB1_4 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 320 CB_GB1_4 O_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 33 321 - CB_GB1_4 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 322 - CB_GB1_4 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 325 + CB_GB1_4 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 322 + CB_GB1_4 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 325 CB_GB1_4 O_GB1_38 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000202e-04 0.004395 0.007862 True md_ensemble 7 33 326 - CB_GB1_4 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 327 - CB_GB1_4 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 333 + CB_GB1_4 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 327 + CB_GB1_4 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 333 CB_GB1_4 O_GB1_39 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 33 334 - CB_GB1_4 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 335 - CB_GB1_4 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 339 - CB_GB1_4 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 340 - CB_GB1_4 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 341 - CB_GB1_4 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 342 + CB_GB1_4 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 335 + CB_GB1_4 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 339 + CB_GB1_4 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 340 + CB_GB1_4 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 341 + CB_GB1_4 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 342 CB_GB1_4 O_GB1_40 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.039627e-04 0.004395 0.007862 True md_ensemble 7 33 343 - CB_GB1_4 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 344 - CB_GB1_4 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 347 + CB_GB1_4 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 344 + CB_GB1_4 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 347 CB_GB1_4 O_GB1_41 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000379e-04 0.004395 0.007862 True md_ensemble 7 33 348 - CB_GB1_4 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 349 - CB_GB1_4 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 354 - CB_GB1_4 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 355 - CB_GB1_4 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 356 - CB_GB1_4 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 357 + CB_GB1_4 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 349 + CB_GB1_4 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 354 + CB_GB1_4 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 355 + CB_GB1_4 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 356 + CB_GB1_4 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 357 CB_GB1_4 O_GB1_42 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000655e-04 0.004395 0.007862 True md_ensemble 7 33 358 - CB_GB1_4 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 359 - CB_GB1_4 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 366 - CB_GB1_4 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 372 + CB_GB1_4 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 359 + CB_GB1_4 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 366 + CB_GB1_4 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 372 CB_GB1_4 O_GB1_43 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.993038e-05 0.004395 0.007862 True md_ensemble 7 33 373 - CB_GB1_4 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 374 - CB_GB1_4 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 378 - CB_GB1_4 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 380 + CB_GB1_4 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 374 + CB_GB1_4 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 378 + CB_GB1_4 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 380 CB_GB1_4 O_GB1_44 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 33 381 - CB_GB1_4 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 382 - CB_GB1_4 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 392 - CB_GB1_4 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 393 + CB_GB1_4 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 382 + CB_GB1_4 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 392 + CB_GB1_4 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 393 CB_GB1_4 O_GB1_45 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 33 394 - CB_GB1_4 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 395 - CB_GB1_4 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 399 - CB_GB1_4 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 400 - CB_GB1_4 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 401 - CB_GB1_4 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 402 + CB_GB1_4 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 395 + CB_GB1_4 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 399 + CB_GB1_4 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 400 + CB_GB1_4 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 401 + CB_GB1_4 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 402 CB_GB1_4 O_GB1_46 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 8.690051e-05 0.004395 0.007862 True md_ensemble 7 33 403 - CB_GB1_4 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 404 - CB_GB1_4 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 408 - CB_GB1_4 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 409 - CB_GB1_4 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 410 - CB_GB1_4 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 411 + CB_GB1_4 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 404 + CB_GB1_4 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 408 + CB_GB1_4 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 409 + CB_GB1_4 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 410 + CB_GB1_4 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 411 CB_GB1_4 O_GB1_47 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 33 412 - CB_GB1_4 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 413 - CB_GB1_4 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 417 + CB_GB1_4 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 413 + CB_GB1_4 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 417 CB_GB1_4 O_GB1_48 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 33 418 - CB_GB1_4 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 419 - CB_GB1_4 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 423 - CB_GB1_4 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 425 + CB_GB1_4 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 419 + CB_GB1_4 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 423 + CB_GB1_4 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 425 CB_GB1_4 O_GB1_49 1 3.341478e-03 1.635549e-05 ; 4.120540e-01 1.706686e-01 3.093094e-02 9.990756e-05 0.004395 0.007862 True md_ensemble 7 33 426 - CB_GB1_4 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 427 + CB_GB1_4 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 427 CB_GB1_4 CA_GB1_50 1 2.382893e-02 4.909829e-04 ; 5.235928e-01 2.891231e-01 3.072840e-01 1.253905e-04 0.004395 0.007117 True md_ensemble 7 33 429 CB_GB1_4 CB_GB1_50 1 9.460000e-03 1.419465e-04 ; 4.966368e-01 1.576150e-01 2.401640e-02 1.999858e-04 0.004395 0.007860 True md_ensemble 7 33 430 - CB_GB1_4 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 434 + CB_GB1_4 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 434 CB_GB1_4 C_GB1_50 1 8.561513e-03 5.404265e-05 ; 4.298969e-01 3.390817e-01 8.092640e-01 8.692632e-05 0.004395 0.001132 True md_ensemble 7 33 435 CB_GB1_4 O_GB1_50 1 2.483637e-03 4.445476e-06 ; 3.484483e-01 3.468950e-01 9.415901e-01 1.000292e-04 0.004395 0.007862 True md_ensemble 7 33 436 CB_GB1_4 N_GB1_51 1 7.695331e-03 5.012023e-05 ; 4.321465e-01 2.953803e-01 3.469070e-01 0.000000e+00 0.004395 0.001132 True md_ensemble 7 33 437 @@ -5456,31 +5456,31 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CB_GB1_4 O_GB1_51 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000015e-04 0.004395 0.007862 True md_ensemble 7 33 444 CB_GB1_4 N_GB1_52 1 7.248177e-03 5.518569e-05 ; 4.435402e-01 2.379968e-01 1.140669e-01 0.000000e+00 0.004395 0.001132 True md_ensemble 7 33 445 CB_GB1_4 CA_GB1_52 1 1.614278e-02 3.891703e-04 ; 5.374774e-01 1.674006e-01 2.903241e-02 1.331317e-05 0.004395 0.007117 True md_ensemble 7 33 447 - CB_GB1_4 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 455 + CB_GB1_4 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 455 CB_GB1_4 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 2.651750e-05 0.000000e+00 0.004395 0.007862 True md_ensemble 7 33 456 - CB_GB1_4 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 457 - CB_GB1_4 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 461 - CB_GB1_4 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 463 + CB_GB1_4 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 457 + CB_GB1_4 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 461 + CB_GB1_4 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 463 CB_GB1_4 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 33 464 - CB_GB1_4 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 465 - CB_GB1_4 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 471 + CB_GB1_4 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 465 + CB_GB1_4 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 471 CB_GB1_4 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 33 472 - CB_GB1_4 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 473 - CB_GB1_4 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 477 - CB_GB1_4 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 479 + CB_GB1_4 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 473 + CB_GB1_4 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 477 + CB_GB1_4 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 479 CB_GB1_4 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 33 480 - CB_GB1_4 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 481 - CB_GB1_4 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 486 - CB_GB1_4 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 487 - CB_GB1_4 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 488 - CB_GB1_4 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 489 - CB_GB1_4 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 490 - CB_GB1_4 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 491 - CG_GB1_4 NZ_GB1_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 37 - CG_GB1_4 C_GB1_4 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 38 - CG_GB1_4 O_GB1_4 1 0.000000e+00 1.935217e-06 ; 2.976614e-01 -1.935217e-06 9.986590e-01 9.587520e-01 0.004395 0.001132 True md_ensemble 4 34 39 - CG_GB1_4 N_GB1_5 1 0.000000e+00 3.601666e-06 ; 3.134755e-01 -3.601666e-06 9.999902e-01 9.797470e-01 0.004395 0.001132 True md_ensemble 4 34 40 - CG_GB1_4 CA_GB1_5 1 0.000000e+00 2.250235e-05 ; 3.651859e-01 -2.250235e-05 9.954937e-01 7.028112e-01 0.004395 0.001132 True md_ensemble 5 34 42 + CB_GB1_4 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 481 + CB_GB1_4 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 486 + CB_GB1_4 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 487 + CB_GB1_4 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 488 + CB_GB1_4 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 489 + CB_GB1_4 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 490 + CB_GB1_4 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 33 491 + CG_GB1_4 NZ_GB1_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 37 + CG_GB1_4 C_GB1_4 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 38 + CG_GB1_4 O_GB1_4 1 0.000000e+00 1.935210e-06 ; 2.976613e-01 -1.935210e-06 9.986590e-01 9.587520e-01 0.004395 0.001132 True md_ensemble 4 34 39 + CG_GB1_4 N_GB1_5 1 0.000000e+00 3.601619e-06 ; 3.134752e-01 -3.601619e-06 9.999902e-01 9.797470e-01 0.004395 0.001132 True md_ensemble 4 34 40 + CG_GB1_4 CA_GB1_5 1 0.000000e+00 2.250226e-05 ; 3.651858e-01 -2.250226e-05 9.954937e-01 7.028112e-01 0.004395 0.001132 True md_ensemble 5 34 42 CG_GB1_4 CB_GB1_5 1 4.522391e-03 6.372508e-05 ; 4.914625e-01 8.023536e-02 7.154255e-01 1.510585e-01 0.004395 0.001132 True md_ensemble 6 34 43 CG_GB1_4 C_GB1_5 1 1.097051e-03 2.584652e-06 ; 3.647785e-01 1.164104e-01 9.489841e-01 9.938469e-02 0.004395 0.001132 True md_ensemble 6 34 47 CG_GB1_4 O_GB1_5 1 1.382248e-03 2.054393e-06 ; 3.378181e-01 2.325030e-01 9.273626e-01 7.109560e-02 0.004395 0.007862 True md_ensemble 7 34 48 @@ -5488,41 +5488,41 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CG_GB1_4 CA_GB1_6 1 1.187067e-02 1.521251e-04 ; 4.837500e-01 2.315738e-01 9.224543e-01 6.518117e-02 0.004395 0.007117 True md_ensemble 7 34 51 CG_GB1_4 CB_GB1_6 1 1.282618e-02 1.785785e-04 ; 4.904807e-01 2.303063e-01 8.540414e-01 6.184806e-02 0.004395 0.007117 True md_ensemble 7 34 52 CG_GB1_4 CG1_GB1_6 1 2.866472e-03 8.439209e-06 ; 3.785812e-01 2.434073e-01 9.378980e-01 5.819415e-02 0.004395 0.007860 True md_ensemble 7 34 53 - CG_GB1_4 CG2_GB1_6 1 0.000000e+00 1.176966e-05 ; 3.459861e-01 -1.176966e-05 1.049971e-02 3.218870e-02 0.004395 0.012151 True md_ensemble 7 34 54 + CG_GB1_4 CG2_GB1_6 1 0.000000e+00 1.176952e-05 ; 3.459858e-01 -1.176952e-05 1.049971e-02 3.218870e-02 0.004395 0.012151 True md_ensemble 7 34 54 CG_GB1_4 CD_GB1_6 1 3.662530e-03 1.185654e-05 ; 3.846179e-01 2.828422e-01 8.524244e-01 3.807220e-02 0.004395 0.012151 True md_ensemble 7 34 55 - CG_GB1_4 C_GB1_6 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 56 + CG_GB1_4 C_GB1_6 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 56 CG_GB1_4 O_GB1_6 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.150953e-02 0.004395 0.007862 True md_ensemble 7 34 57 - CG_GB1_4 N_GB1_7 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 58 - CG_GB1_4 C_GB1_7 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 65 + CG_GB1_4 N_GB1_7 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 58 + CG_GB1_4 C_GB1_7 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 65 CG_GB1_4 O_GB1_7 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.579413e-03 0.004395 0.007862 True md_ensemble 7 34 66 - CG_GB1_4 N_GB1_8 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 67 - CG_GB1_4 CG_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 71 + CG_GB1_4 N_GB1_8 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 67 + CG_GB1_4 CG_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 71 CG_GB1_4 OD1_GB1_8 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.296220e-03 0.004395 0.007862 True md_ensemble 7 34 72 - CG_GB1_4 ND2_GB1_8 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 73 - CG_GB1_4 C_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 74 + CG_GB1_4 ND2_GB1_8 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 73 + CG_GB1_4 C_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 74 CG_GB1_4 O_GB1_8 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.200258e-03 0.004395 0.007862 True md_ensemble 7 34 75 - CG_GB1_4 N_GB1_9 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 76 - CG_GB1_4 C_GB1_9 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 79 + CG_GB1_4 N_GB1_9 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 76 + CG_GB1_4 C_GB1_9 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 79 CG_GB1_4 O_GB1_9 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.451163e-03 0.004395 0.007862 True md_ensemble 7 34 80 - CG_GB1_4 N_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 81 - CG_GB1_4 NZ_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 88 - CG_GB1_4 C_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 89 + CG_GB1_4 N_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 81 + CG_GB1_4 NZ_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 88 + CG_GB1_4 C_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 89 CG_GB1_4 O_GB1_10 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.671318e-04 0.004395 0.007862 True md_ensemble 7 34 90 - CG_GB1_4 N_GB1_11 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 91 - CG_GB1_4 OG1_GB1_11 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 95 - CG_GB1_4 C_GB1_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 97 + CG_GB1_4 N_GB1_11 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 91 + CG_GB1_4 OG1_GB1_11 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 95 + CG_GB1_4 C_GB1_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 97 CG_GB1_4 O_GB1_11 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.056521e-04 0.004395 0.007862 True md_ensemble 7 34 98 - CG_GB1_4 N_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 99 - CG_GB1_4 C_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 106 + CG_GB1_4 N_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 99 + CG_GB1_4 C_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 106 CG_GB1_4 O_GB1_12 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.213349e-04 0.004395 0.007862 True md_ensemble 7 34 107 - CG_GB1_4 N_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 108 - CG_GB1_4 NZ_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 115 - CG_GB1_4 C_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 116 + CG_GB1_4 N_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 108 + CG_GB1_4 NZ_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 115 + CG_GB1_4 C_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 116 CG_GB1_4 O_GB1_13 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.011606e-04 0.004395 0.007862 True md_ensemble 7 34 117 - CG_GB1_4 N_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 118 - CG_GB1_4 C_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 121 + CG_GB1_4 N_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 118 + CG_GB1_4 C_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 121 CG_GB1_4 O_GB1_14 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.212374e-04 0.004395 0.007862 True md_ensemble 7 34 122 - CG_GB1_4 N_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 123 + CG_GB1_4 N_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 123 CG_GB1_4 CA_GB1_15 1 1.975191e-02 2.944194e-04 ; 4.960889e-01 3.312775e-01 6.956561e-01 4.616045e-04 0.004395 0.007117 True md_ensemble 7 34 125 CG_GB1_4 CB_GB1_15 1 8.272105e-03 5.163807e-05 ; 4.291005e-01 3.312852e-01 6.957599e-01 2.392461e-04 0.004395 0.007860 True md_ensemble 7 34 126 CG_GB1_4 CG_GB1_15 1 3.783880e-03 1.074091e-05 ; 3.762853e-01 3.332527e-01 7.228056e-01 6.292259e-04 0.004395 0.007860 True md_ensemble 7 34 127 @@ -5534,7 +5534,7 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CG_GB1_4 N_GB1_16 1 6.545271e-03 3.442367e-05 ; 4.170181e-01 3.111273e-01 4.707290e-01 0.000000e+00 0.004395 0.001132 True md_ensemble 7 34 133 CG_GB1_4 CA_GB1_16 1 1.645323e-02 1.974270e-04 ; 4.784750e-01 3.427961e-01 8.696766e-01 7.408689e-04 0.004395 0.007117 True md_ensemble 7 34 135 CG_GB1_4 CB_GB1_16 1 1.037711e-02 2.451166e-04 ; 5.356520e-01 1.098298e-01 9.511597e-03 1.411882e-03 0.004395 0.007117 True md_ensemble 7 34 136 - CG_GB1_4 OG1_GB1_16 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 137 + CG_GB1_4 OG1_GB1_16 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 137 CG_GB1_4 C_GB1_16 1 5.422802e-03 2.132951e-05 ; 3.973070e-01 3.446725e-01 9.018891e-01 3.997670e-04 0.004395 0.001132 True md_ensemble 7 34 139 CG_GB1_4 O_GB1_16 1 1.271015e-03 1.161618e-06 ; 3.115197e-01 3.476785e-01 9.559995e-01 4.930739e-04 0.004395 0.007862 True md_ensemble 7 34 140 CG_GB1_4 N_GB1_17 1 6.127999e-03 3.366502e-05 ; 4.200587e-01 2.788679e-01 2.518905e-01 0.000000e+00 0.004395 0.001132 True md_ensemble 7 34 141 @@ -5542,150 +5542,150 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CG_GB1_4 CB_GB1_17 1 1.070284e-02 8.206675e-05 ; 4.440631e-01 3.489561e-01 9.799687e-01 9.232169e-04 0.004395 0.007117 True md_ensemble 7 34 144 CG_GB1_4 OG1_GB1_17 1 1.123021e-03 1.416234e-06 ; 3.286935e-01 2.226287e-01 8.468215e-02 2.217910e-04 0.004395 0.001132 True md_ensemble 7 34 145 CG_GB1_4 CG2_GB1_17 1 2.650245e-03 5.060568e-06 ; 3.522239e-01 3.469868e-01 9.432671e-01 1.235488e-03 0.004395 0.012151 True md_ensemble 7 34 146 - CG_GB1_4 C_GB1_17 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 147 + CG_GB1_4 C_GB1_17 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 147 CG_GB1_4 O_GB1_17 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 34 148 - CG_GB1_4 N_GB1_18 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 149 - CG_GB1_4 OG1_GB1_18 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 153 - CG_GB1_4 C_GB1_18 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 155 + CG_GB1_4 N_GB1_18 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 149 + CG_GB1_4 OG1_GB1_18 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 153 + CG_GB1_4 C_GB1_18 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 155 CG_GB1_4 O_GB1_18 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 34 156 - CG_GB1_4 N_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 157 - CG_GB1_4 CD_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 162 - CG_GB1_4 OE1_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 163 - CG_GB1_4 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 164 - CG_GB1_4 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 165 + CG_GB1_4 N_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 157 + CG_GB1_4 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 162 + CG_GB1_4 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 163 + CG_GB1_4 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 164 + CG_GB1_4 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 165 CG_GB1_4 O_GB1_19 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.856819e-04 0.004395 0.007862 True md_ensemble 7 34 166 - CG_GB1_4 N_GB1_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 167 - CG_GB1_4 C_GB1_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 171 + CG_GB1_4 N_GB1_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 167 + CG_GB1_4 C_GB1_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 171 CG_GB1_4 O_GB1_20 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.210412e-06 0.004395 0.007862 True md_ensemble 7 34 172 - CG_GB1_4 N_GB1_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 173 - CG_GB1_4 C_GB1_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 179 + CG_GB1_4 N_GB1_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 173 + CG_GB1_4 C_GB1_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 179 CG_GB1_4 O_GB1_21 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.000663e-04 0.004395 0.007862 True md_ensemble 7 34 180 - CG_GB1_4 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 181 - CG_GB1_4 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 185 - CG_GB1_4 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 186 - CG_GB1_4 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 187 - CG_GB1_4 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 188 + CG_GB1_4 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 181 + CG_GB1_4 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 185 + CG_GB1_4 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 186 + CG_GB1_4 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 187 + CG_GB1_4 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 188 CG_GB1_4 O_GB1_22 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.998692e-04 0.004395 0.007862 True md_ensemble 7 34 189 - CG_GB1_4 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 190 - CG_GB1_4 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 194 + CG_GB1_4 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 190 + CG_GB1_4 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 194 CG_GB1_4 O_GB1_23 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.991485e-05 0.004395 0.007862 True md_ensemble 7 34 195 - CG_GB1_4 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 196 - CG_GB1_4 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 200 + CG_GB1_4 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 196 + CG_GB1_4 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 200 CG_GB1_4 O_GB1_24 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.999274e-04 0.004395 0.007862 True md_ensemble 7 34 201 - CG_GB1_4 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 202 - CG_GB1_4 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 206 - CG_GB1_4 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 208 + CG_GB1_4 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 202 + CG_GB1_4 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 206 + CG_GB1_4 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 208 CG_GB1_4 O_GB1_25 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000462e-04 0.004395 0.007862 True md_ensemble 7 34 209 - CG_GB1_4 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 210 - CG_GB1_4 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 214 + CG_GB1_4 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 210 + CG_GB1_4 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 214 CG_GB1_4 O_GB1_26 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.985808e-05 0.004395 0.007862 True md_ensemble 7 34 215 - CG_GB1_4 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 216 - CG_GB1_4 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 221 - CG_GB1_4 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 222 - CG_GB1_4 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 223 - CG_GB1_4 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 224 + CG_GB1_4 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 216 + CG_GB1_4 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 221 + CG_GB1_4 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 222 + CG_GB1_4 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 223 + CG_GB1_4 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 224 CG_GB1_4 O_GB1_27 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000334e-04 0.004395 0.007862 True md_ensemble 7 34 225 - CG_GB1_4 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 226 - CG_GB1_4 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 233 - CG_GB1_4 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 234 + CG_GB1_4 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 226 + CG_GB1_4 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 233 + CG_GB1_4 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 234 CG_GB1_4 O_GB1_28 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.998862e-04 0.004395 0.007862 True md_ensemble 7 34 235 - CG_GB1_4 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 236 - CG_GB1_4 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 242 + CG_GB1_4 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 236 + CG_GB1_4 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 242 CG_GB1_4 O_GB1_29 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 34 243 - CG_GB1_4 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 244 - CG_GB1_4 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 254 + CG_GB1_4 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 244 + CG_GB1_4 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 254 CG_GB1_4 O_GB1_30 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 34 255 - CG_GB1_4 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 256 - CG_GB1_4 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 263 - CG_GB1_4 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 264 + CG_GB1_4 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 256 + CG_GB1_4 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 263 + CG_GB1_4 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 264 CG_GB1_4 O_GB1_31 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.175775e-04 0.004395 0.007862 True md_ensemble 7 34 265 - CG_GB1_4 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 266 - CG_GB1_4 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 271 + CG_GB1_4 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 266 + CG_GB1_4 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 271 CG_GB1_4 OE1_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.674926e-05 0.004395 0.007862 True md_ensemble 7 34 272 - CG_GB1_4 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 273 - CG_GB1_4 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 274 + CG_GB1_4 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 273 + CG_GB1_4 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 274 CG_GB1_4 O_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000105e-04 0.004395 0.007862 True md_ensemble 7 34 275 - CG_GB1_4 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 276 - CG_GB1_4 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 286 - CG_GB1_4 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 287 + CG_GB1_4 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 276 + CG_GB1_4 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 286 + CG_GB1_4 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 287 CG_GB1_4 O_GB1_33 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.994354e-05 0.004395 0.007862 True md_ensemble 7 34 288 - CG_GB1_4 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 289 - CG_GB1_4 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 293 + CG_GB1_4 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 289 + CG_GB1_4 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 293 CG_GB1_4 O_GB1_34 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 34 294 - CG_GB1_4 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 295 - CG_GB1_4 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 299 + CG_GB1_4 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 295 + CG_GB1_4 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 299 CG_GB1_4 OD1_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.987186e-05 0.004395 0.007862 True md_ensemble 7 34 300 - CG_GB1_4 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 301 - CG_GB1_4 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 302 + CG_GB1_4 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 301 + CG_GB1_4 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 302 CG_GB1_4 O_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.476805e-06 0.004395 0.007862 True md_ensemble 7 34 303 - CG_GB1_4 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 304 - CG_GB1_4 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 308 - CG_GB1_4 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 309 - CG_GB1_4 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 310 - CG_GB1_4 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 311 + CG_GB1_4 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 304 + CG_GB1_4 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 308 + CG_GB1_4 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 309 + CG_GB1_4 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 310 + CG_GB1_4 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 311 CG_GB1_4 O_GB1_36 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.900321e-04 0.004395 0.007862 True md_ensemble 7 34 312 - CG_GB1_4 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 313 - CG_GB1_4 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 317 + CG_GB1_4 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 313 + CG_GB1_4 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 317 CG_GB1_4 OD1_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.282716e-04 0.004395 0.007862 True md_ensemble 7 34 318 - CG_GB1_4 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 319 - CG_GB1_4 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 320 + CG_GB1_4 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 319 + CG_GB1_4 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 320 CG_GB1_4 O_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.633255e-05 0.004395 0.007862 True md_ensemble 7 34 321 - CG_GB1_4 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 322 - CG_GB1_4 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 325 + CG_GB1_4 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 322 + CG_GB1_4 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 325 CG_GB1_4 O_GB1_38 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 34 326 - CG_GB1_4 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 327 - CG_GB1_4 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 333 + CG_GB1_4 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 327 + CG_GB1_4 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 333 CG_GB1_4 O_GB1_39 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 34 334 - CG_GB1_4 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 335 - CG_GB1_4 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 339 - CG_GB1_4 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 340 - CG_GB1_4 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 341 - CG_GB1_4 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 342 + CG_GB1_4 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 335 + CG_GB1_4 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 339 + CG_GB1_4 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 340 + CG_GB1_4 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 341 + CG_GB1_4 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 342 CG_GB1_4 O_GB1_40 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.849384e-04 0.004395 0.007862 True md_ensemble 7 34 343 - CG_GB1_4 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 344 - CG_GB1_4 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 347 + CG_GB1_4 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 344 + CG_GB1_4 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 347 CG_GB1_4 O_GB1_41 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 34 348 - CG_GB1_4 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 349 - CG_GB1_4 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 354 - CG_GB1_4 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 355 - CG_GB1_4 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 356 - CG_GB1_4 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 357 + CG_GB1_4 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 349 + CG_GB1_4 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 354 + CG_GB1_4 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 355 + CG_GB1_4 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 356 + CG_GB1_4 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 357 CG_GB1_4 O_GB1_42 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000536e-04 0.004395 0.007862 True md_ensemble 7 34 358 - CG_GB1_4 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 359 - CG_GB1_4 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 366 - CG_GB1_4 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 372 + CG_GB1_4 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 359 + CG_GB1_4 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 366 + CG_GB1_4 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 372 CG_GB1_4 O_GB1_43 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.574070e-05 0.004395 0.007862 True md_ensemble 7 34 373 - CG_GB1_4 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 374 - CG_GB1_4 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 378 - CG_GB1_4 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 380 + CG_GB1_4 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 374 + CG_GB1_4 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 378 + CG_GB1_4 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 380 CG_GB1_4 O_GB1_44 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 34 381 - CG_GB1_4 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 382 - CG_GB1_4 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 392 - CG_GB1_4 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 393 + CG_GB1_4 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 382 + CG_GB1_4 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 392 + CG_GB1_4 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 393 CG_GB1_4 O_GB1_45 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 34 394 - CG_GB1_4 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 395 - CG_GB1_4 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 399 - CG_GB1_4 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 400 - CG_GB1_4 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 401 - CG_GB1_4 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 402 + CG_GB1_4 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 395 + CG_GB1_4 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 399 + CG_GB1_4 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 400 + CG_GB1_4 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 401 + CG_GB1_4 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 402 CG_GB1_4 O_GB1_46 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.441147e-04 0.004395 0.007862 True md_ensemble 7 34 403 - CG_GB1_4 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 404 - CG_GB1_4 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 408 - CG_GB1_4 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 409 - CG_GB1_4 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 410 - CG_GB1_4 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 411 + CG_GB1_4 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 404 + CG_GB1_4 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 408 + CG_GB1_4 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 409 + CG_GB1_4 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 410 + CG_GB1_4 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 411 CG_GB1_4 O_GB1_47 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 34 412 - CG_GB1_4 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 413 - CG_GB1_4 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 417 + CG_GB1_4 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 413 + CG_GB1_4 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 417 CG_GB1_4 O_GB1_48 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.999208e-05 0.004395 0.007862 True md_ensemble 7 34 418 - CG_GB1_4 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 419 - CG_GB1_4 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 423 - CG_GB1_4 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 425 + CG_GB1_4 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 419 + CG_GB1_4 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 423 + CG_GB1_4 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 425 CG_GB1_4 O_GB1_49 1 1.685499e-03 4.854747e-06 ; 3.772012e-01 1.462953e-01 1.928495e-02 0.000000e+00 0.004395 0.007862 True md_ensemble 7 34 426 - CG_GB1_4 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 427 + CG_GB1_4 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 427 CG_GB1_4 CA_GB1_50 1 1.070146e-02 1.779950e-04 ; 5.052358e-01 1.608490e-01 2.557007e-02 2.722460e-04 0.004395 0.007117 True md_ensemble 7 34 429 CG_GB1_4 CB_GB1_50 1 5.355648e-03 5.869816e-05 ; 4.713050e-01 1.221630e-01 1.208019e-02 4.000943e-04 0.004395 0.007860 True md_ensemble 7 34 430 - CG_GB1_4 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 434 + CG_GB1_4 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 434 CG_GB1_4 C_GB1_50 1 3.960541e-03 2.204901e-05 ; 4.209906e-01 1.778525e-01 3.555220e-02 9.998602e-05 0.004395 0.001132 True md_ensemble 7 34 435 CG_GB1_4 O_GB1_50 1 1.191028e-03 1.829629e-06 ; 3.396828e-01 1.938301e-01 4.845799e-02 9.997600e-05 0.004395 0.007862 True md_ensemble 7 34 436 CG_GB1_4 N_GB1_51 1 2.541052e-03 1.425784e-05 ; 4.215412e-01 1.132175e-01 1.015712e-02 9.985355e-05 0.004395 0.001132 True md_ensemble 7 34 437 @@ -5695,33 +5695,33 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CG_GB1_4 CG2_GB1_51 1 4.034415e-03 1.166586e-05 ; 3.774471e-01 3.488063e-01 9.771276e-01 4.909959e-04 0.004395 0.012151 True md_ensemble 7 34 442 CG_GB1_4 C_GB1_51 1 3.045181e-03 2.728006e-05 ; 4.557277e-01 8.498079e-02 5.875907e-03 2.180910e-05 0.004395 0.001132 True md_ensemble 7 34 443 CG_GB1_4 O_GB1_51 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000361e-04 0.004395 0.007862 True md_ensemble 7 34 444 - CG_GB1_4 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 445 - CG_GB1_4 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 455 + CG_GB1_4 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 445 + CG_GB1_4 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 455 CG_GB1_4 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 3.276275e-04 0.000000e+00 0.004395 0.007862 True md_ensemble 7 34 456 - CG_GB1_4 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 457 - CG_GB1_4 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 461 - CG_GB1_4 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 463 + CG_GB1_4 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 457 + CG_GB1_4 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 461 + CG_GB1_4 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 463 CG_GB1_4 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 34 464 - CG_GB1_4 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 465 - CG_GB1_4 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 471 + CG_GB1_4 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 465 + CG_GB1_4 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 471 CG_GB1_4 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 34 472 - CG_GB1_4 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 473 - CG_GB1_4 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 477 - CG_GB1_4 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 479 + CG_GB1_4 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 473 + CG_GB1_4 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 477 + CG_GB1_4 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 479 CG_GB1_4 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 34 480 - CG_GB1_4 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 481 - CG_GB1_4 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 486 - CG_GB1_4 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 487 - CG_GB1_4 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 488 - CG_GB1_4 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 489 - CG_GB1_4 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 490 - CG_GB1_4 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 491 - CD_GB1_4 NZ_GB1_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 37 - CD_GB1_4 C_GB1_4 1 0.000000e+00 6.267668e-06 ; 3.282871e-01 -6.267668e-06 9.998801e-01 9.894138e-01 0.004395 0.001132 True md_ensemble 4 35 38 - CD_GB1_4 O_GB1_4 1 0.000000e+00 2.337713e-06 ; 3.023855e-01 -2.337713e-06 9.889851e-02 2.586761e-01 0.004395 0.001132 True md_ensemble 5 35 39 + CG_GB1_4 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 481 + CG_GB1_4 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 486 + CG_GB1_4 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 487 + CG_GB1_4 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 488 + CG_GB1_4 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 489 + CG_GB1_4 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 490 + CG_GB1_4 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 34 491 + CD_GB1_4 NZ_GB1_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 37 + CD_GB1_4 C_GB1_4 1 0.000000e+00 6.267563e-06 ; 3.282867e-01 -6.267563e-06 9.998801e-01 9.894138e-01 0.004395 0.001132 True md_ensemble 4 35 38 + CD_GB1_4 O_GB1_4 1 0.000000e+00 2.337704e-06 ; 3.023854e-01 -2.337704e-06 9.889851e-02 2.586761e-01 0.004395 0.001132 True md_ensemble 5 35 39 CD_GB1_4 N_GB1_5 1 9.805824e-04 3.095635e-06 ; 3.830107e-01 7.765305e-02 9.028058e-01 2.004070e-01 0.004395 0.001132 True md_ensemble 5 35 40 CD_GB1_4 CA_GB1_5 1 4.885891e-03 6.778327e-05 ; 4.901885e-01 8.804506e-02 9.321312e-01 1.691671e-01 0.004395 0.001132 True md_ensemble 6 35 42 - CD_GB1_4 CB_GB1_5 1 0.000000e+00 1.565182e-05 ; 3.543035e-01 -1.565182e-05 5.898457e-03 1.968960e-02 0.004395 0.007860 True md_ensemble 7 35 43 + CD_GB1_4 CB_GB1_5 1 0.000000e+00 1.565157e-05 ; 3.543030e-01 -1.565157e-05 5.898457e-03 1.968960e-02 0.004395 0.007860 True md_ensemble 7 35 43 CD_GB1_4 C_GB1_5 1 4.897368e-03 3.260848e-05 ; 4.337385e-01 1.838802e-01 5.595285e-01 1.584614e-02 0.004395 0.001132 True md_ensemble 7 35 47 CD_GB1_4 O_GB1_5 1 2.137373e-03 5.264029e-06 ; 3.674850e-01 2.169614e-01 2.736244e-01 2.835155e-02 0.004395 0.007862 True md_ensemble 7 35 48 CD_GB1_4 N_GB1_6 1 2.505330e-03 1.595427e-05 ; 4.305286e-01 9.835423e-02 5.160723e-02 7.669501e-03 0.004395 0.001132 True md_ensemble 7 35 49 @@ -5730,39 +5730,39 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CD_GB1_4 CG1_GB1_6 1 2.335696e-03 5.418213e-06 ; 3.638368e-01 2.517193e-01 9.322843e-01 4.923814e-02 0.004395 0.007860 True md_ensemble 7 35 53 CD_GB1_4 CG2_GB1_6 1 6.687487e-04 1.431117e-06 ; 3.589787e-01 7.812511e-02 1.161941e-02 2.744349e-02 0.004395 0.012151 True md_ensemble 7 35 54 CD_GB1_4 CD_GB1_6 1 2.581124e-03 5.859303e-06 ; 3.625263e-01 2.842575e-01 8.985498e-01 3.904634e-02 0.004395 0.012151 True md_ensemble 7 35 55 - CD_GB1_4 C_GB1_6 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 56 + CD_GB1_4 C_GB1_6 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 56 CD_GB1_4 O_GB1_6 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.658118e-02 0.004395 0.007862 True md_ensemble 7 35 57 - CD_GB1_4 N_GB1_7 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 58 - CD_GB1_4 C_GB1_7 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 65 + CD_GB1_4 N_GB1_7 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 58 + CD_GB1_4 C_GB1_7 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 65 CD_GB1_4 O_GB1_7 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.702676e-03 0.004395 0.007862 True md_ensemble 7 35 66 - CD_GB1_4 N_GB1_8 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 67 - CD_GB1_4 CG_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 71 + CD_GB1_4 N_GB1_8 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 67 + CD_GB1_4 CG_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 71 CD_GB1_4 OD1_GB1_8 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.331608e-03 0.004395 0.007862 True md_ensemble 7 35 72 - CD_GB1_4 ND2_GB1_8 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 73 - CD_GB1_4 C_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 74 + CD_GB1_4 ND2_GB1_8 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 73 + CD_GB1_4 C_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 74 CD_GB1_4 O_GB1_8 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.058478e-03 0.004395 0.007862 True md_ensemble 7 35 75 - CD_GB1_4 N_GB1_9 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 76 - CD_GB1_4 C_GB1_9 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 79 + CD_GB1_4 N_GB1_9 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 76 + CD_GB1_4 C_GB1_9 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 79 CD_GB1_4 O_GB1_9 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.546693e-03 0.004395 0.007862 True md_ensemble 7 35 80 - CD_GB1_4 N_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 81 - CD_GB1_4 NZ_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 88 - CD_GB1_4 C_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 89 + CD_GB1_4 N_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 81 + CD_GB1_4 NZ_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 88 + CD_GB1_4 C_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 89 CD_GB1_4 O_GB1_10 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 8.190244e-04 0.004395 0.007862 True md_ensemble 7 35 90 - CD_GB1_4 N_GB1_11 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 91 - CD_GB1_4 OG1_GB1_11 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 95 - CD_GB1_4 C_GB1_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 97 + CD_GB1_4 N_GB1_11 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 91 + CD_GB1_4 OG1_GB1_11 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 95 + CD_GB1_4 C_GB1_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 97 CD_GB1_4 O_GB1_11 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.998943e-04 0.004395 0.007862 True md_ensemble 7 35 98 - CD_GB1_4 N_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 99 - CD_GB1_4 C_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 106 + CD_GB1_4 N_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 99 + CD_GB1_4 C_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 106 CD_GB1_4 O_GB1_12 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.253962e-04 0.004395 0.007862 True md_ensemble 7 35 107 - CD_GB1_4 N_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 108 - CD_GB1_4 NZ_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 115 - CD_GB1_4 C_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 116 + CD_GB1_4 N_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 108 + CD_GB1_4 NZ_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 115 + CD_GB1_4 C_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 116 CD_GB1_4 O_GB1_13 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.669164e-04 0.004395 0.007862 True md_ensemble 7 35 117 - CD_GB1_4 N_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 118 - CD_GB1_4 C_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 121 + CD_GB1_4 N_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 118 + CD_GB1_4 C_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 121 CD_GB1_4 O_GB1_14 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.212009e-04 0.004395 0.007862 True md_ensemble 7 35 122 - CD_GB1_4 N_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 123 + CD_GB1_4 N_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 123 CD_GB1_4 CA_GB1_15 1 1.841220e-02 2.792244e-04 ; 4.975170e-01 3.035273e-01 4.062509e-01 6.272070e-04 0.004395 0.007117 True md_ensemble 7 35 125 CD_GB1_4 CB_GB1_15 1 6.269487e-03 2.957497e-05 ; 4.095265e-01 3.322612e-01 7.090480e-01 4.842399e-04 0.004395 0.007860 True md_ensemble 7 35 126 CD_GB1_4 CG_GB1_15 1 3.050558e-03 6.844771e-06 ; 3.618234e-01 3.398909e-01 8.220575e-01 9.387861e-04 0.004395 0.007860 True md_ensemble 7 35 127 @@ -5773,7 +5773,7 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CD_GB1_4 O_GB1_15 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 4.783750e-05 4.276239e-04 0.004395 0.007862 True md_ensemble 7 35 132 CD_GB1_4 N_GB1_16 1 4.068388e-03 2.038092e-05 ; 4.136505e-01 2.030304e-01 5.791796e-02 2.000585e-04 0.004395 0.001132 True md_ensemble 7 35 133 CD_GB1_4 CA_GB1_16 1 1.698443e-02 2.605586e-04 ; 4.984739e-01 2.767812e-01 2.419058e-01 1.047366e-03 0.004395 0.007117 True md_ensemble 7 35 135 - CD_GB1_4 OG1_GB1_16 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 137 + CD_GB1_4 OG1_GB1_16 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 137 CD_GB1_4 C_GB1_16 1 4.978050e-03 2.395733e-05 ; 4.108941e-01 2.585949e-01 1.700413e-01 5.082959e-04 0.004395 0.001132 True md_ensemble 7 35 139 CD_GB1_4 O_GB1_16 1 1.686059e-03 2.428907e-06 ; 3.360648e-01 2.926001e-01 3.287069e-01 6.961102e-04 0.004395 0.007862 True md_ensemble 7 35 140 CD_GB1_4 N_GB1_17 1 3.125726e-03 1.446409e-05 ; 4.082160e-01 1.688692e-01 2.987073e-02 8.411364e-05 0.004395 0.001132 True md_ensemble 7 35 141 @@ -5781,152 +5781,152 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CD_GB1_4 CB_GB1_17 1 1.087750e-02 9.060360e-05 ; 4.502317e-01 3.264770e-01 6.338462e-01 1.206536e-03 0.004395 0.007117 True md_ensemble 7 35 144 CD_GB1_4 OG1_GB1_17 1 8.493444e-04 8.356734e-07 ; 3.153737e-01 2.158097e-01 7.419759e-02 5.844353e-04 0.004395 0.001132 True md_ensemble 7 35 145 CD_GB1_4 CG2_GB1_17 1 3.379501e-03 8.281643e-06 ; 3.671786e-01 3.447694e-01 9.035849e-01 1.197231e-03 0.004395 0.012151 True md_ensemble 7 35 146 - CD_GB1_4 C_GB1_17 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 147 + CD_GB1_4 C_GB1_17 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 147 CD_GB1_4 O_GB1_17 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.456451e-04 0.004395 0.007862 True md_ensemble 7 35 148 - CD_GB1_4 N_GB1_18 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 149 - CD_GB1_4 OG1_GB1_18 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 153 - CD_GB1_4 C_GB1_18 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 155 + CD_GB1_4 N_GB1_18 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 149 + CD_GB1_4 OG1_GB1_18 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 153 + CD_GB1_4 C_GB1_18 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 155 CD_GB1_4 O_GB1_18 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.999744e-04 0.004395 0.007862 True md_ensemble 7 35 156 - CD_GB1_4 N_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 157 - CD_GB1_4 CD_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 162 - CD_GB1_4 OE1_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 163 - CD_GB1_4 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 164 - CD_GB1_4 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 165 + CD_GB1_4 N_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 157 + CD_GB1_4 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 162 + CD_GB1_4 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 163 + CD_GB1_4 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 164 + CD_GB1_4 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 165 CD_GB1_4 O_GB1_19 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.000634e-04 0.004395 0.007862 True md_ensemble 7 35 166 - CD_GB1_4 N_GB1_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 167 - CD_GB1_4 C_GB1_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 171 + CD_GB1_4 N_GB1_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 167 + CD_GB1_4 C_GB1_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 171 CD_GB1_4 O_GB1_20 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.284003e-04 0.004395 0.007862 True md_ensemble 7 35 172 - CD_GB1_4 N_GB1_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 173 - CD_GB1_4 C_GB1_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 179 + CD_GB1_4 N_GB1_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 173 + CD_GB1_4 C_GB1_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 179 CD_GB1_4 O_GB1_21 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.001073e-04 0.004395 0.007862 True md_ensemble 7 35 180 - CD_GB1_4 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 181 - CD_GB1_4 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 185 - CD_GB1_4 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 186 - CD_GB1_4 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 187 - CD_GB1_4 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 188 + CD_GB1_4 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 181 + CD_GB1_4 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 185 + CD_GB1_4 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 186 + CD_GB1_4 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 187 + CD_GB1_4 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 188 CD_GB1_4 O_GB1_22 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.840085e-04 0.004395 0.007862 True md_ensemble 7 35 189 - CD_GB1_4 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 190 - CD_GB1_4 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 194 + CD_GB1_4 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 190 + CD_GB1_4 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 194 CD_GB1_4 O_GB1_23 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.591700e-04 0.004395 0.007862 True md_ensemble 7 35 195 - CD_GB1_4 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 196 - CD_GB1_4 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 200 + CD_GB1_4 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 196 + CD_GB1_4 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 200 CD_GB1_4 O_GB1_24 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.729239e-05 0.004395 0.007862 True md_ensemble 7 35 201 - CD_GB1_4 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 202 - CD_GB1_4 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 206 - CD_GB1_4 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 208 + CD_GB1_4 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 202 + CD_GB1_4 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 206 + CD_GB1_4 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 208 CD_GB1_4 O_GB1_25 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.976051e-04 0.004395 0.007862 True md_ensemble 7 35 209 - CD_GB1_4 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 210 - CD_GB1_4 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 214 + CD_GB1_4 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 210 + CD_GB1_4 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 214 CD_GB1_4 O_GB1_26 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000303e-04 0.004395 0.007862 True md_ensemble 7 35 215 - CD_GB1_4 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 216 - CD_GB1_4 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 221 - CD_GB1_4 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 222 - CD_GB1_4 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 223 - CD_GB1_4 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 224 + CD_GB1_4 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 216 + CD_GB1_4 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 221 + CD_GB1_4 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 222 + CD_GB1_4 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 223 + CD_GB1_4 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 224 CD_GB1_4 O_GB1_27 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000329e-04 0.004395 0.007862 True md_ensemble 7 35 225 - CD_GB1_4 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 226 - CD_GB1_4 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 233 - CD_GB1_4 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 234 + CD_GB1_4 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 226 + CD_GB1_4 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 233 + CD_GB1_4 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 234 CD_GB1_4 O_GB1_28 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.997454e-04 0.004395 0.007862 True md_ensemble 7 35 235 - CD_GB1_4 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 236 - CD_GB1_4 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 242 + CD_GB1_4 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 236 + CD_GB1_4 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 242 CD_GB1_4 O_GB1_29 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 35 243 - CD_GB1_4 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 244 - CD_GB1_4 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 254 + CD_GB1_4 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 244 + CD_GB1_4 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 254 CD_GB1_4 O_GB1_30 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.256632e-05 0.004395 0.007862 True md_ensemble 7 35 255 - CD_GB1_4 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 256 - CD_GB1_4 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 263 - CD_GB1_4 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 264 + CD_GB1_4 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 256 + CD_GB1_4 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 263 + CD_GB1_4 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 264 CD_GB1_4 O_GB1_31 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.998378e-04 0.004395 0.007862 True md_ensemble 7 35 265 - CD_GB1_4 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 266 - CD_GB1_4 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 271 + CD_GB1_4 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 266 + CD_GB1_4 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 271 CD_GB1_4 OE1_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.878777e-04 0.004395 0.007862 True md_ensemble 7 35 272 - CD_GB1_4 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 273 - CD_GB1_4 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 274 + CD_GB1_4 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 273 + CD_GB1_4 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 274 CD_GB1_4 O_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.999967e-04 0.004395 0.007862 True md_ensemble 7 35 275 - CD_GB1_4 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 276 - CD_GB1_4 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 286 - CD_GB1_4 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 287 + CD_GB1_4 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 276 + CD_GB1_4 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 286 + CD_GB1_4 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 287 CD_GB1_4 O_GB1_33 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000410e-04 0.004395 0.007862 True md_ensemble 7 35 288 - CD_GB1_4 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 289 - CD_GB1_4 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 293 + CD_GB1_4 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 289 + CD_GB1_4 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 293 CD_GB1_4 O_GB1_34 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 35 294 - CD_GB1_4 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 295 - CD_GB1_4 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 299 + CD_GB1_4 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 295 + CD_GB1_4 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 299 CD_GB1_4 OD1_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.985119e-05 0.004395 0.007862 True md_ensemble 7 35 300 - CD_GB1_4 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 301 - CD_GB1_4 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 302 + CD_GB1_4 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 301 + CD_GB1_4 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 302 CD_GB1_4 O_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.999133e-04 0.004395 0.007862 True md_ensemble 7 35 303 - CD_GB1_4 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 304 - CD_GB1_4 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 308 - CD_GB1_4 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 309 - CD_GB1_4 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 310 - CD_GB1_4 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 311 + CD_GB1_4 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 304 + CD_GB1_4 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 308 + CD_GB1_4 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 309 + CD_GB1_4 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 310 + CD_GB1_4 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 311 CD_GB1_4 O_GB1_36 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.795757e-05 0.004395 0.007862 True md_ensemble 7 35 312 - CD_GB1_4 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 313 - CD_GB1_4 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 317 + CD_GB1_4 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 313 + CD_GB1_4 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 317 CD_GB1_4 OD1_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.814557e-04 0.004395 0.007862 True md_ensemble 7 35 318 - CD_GB1_4 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 319 - CD_GB1_4 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 320 + CD_GB1_4 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 319 + CD_GB1_4 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 320 CD_GB1_4 O_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.000318e-04 0.004395 0.007862 True md_ensemble 7 35 321 - CD_GB1_4 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 322 - CD_GB1_4 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 325 + CD_GB1_4 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 322 + CD_GB1_4 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 325 CD_GB1_4 O_GB1_38 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.340289e-04 0.004395 0.007862 True md_ensemble 7 35 326 - CD_GB1_4 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 327 - CD_GB1_4 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 333 + CD_GB1_4 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 327 + CD_GB1_4 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 333 CD_GB1_4 O_GB1_39 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.854905e-05 0.004395 0.007862 True md_ensemble 7 35 334 - CD_GB1_4 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 335 - CD_GB1_4 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 339 - CD_GB1_4 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 340 - CD_GB1_4 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 341 - CD_GB1_4 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 342 + CD_GB1_4 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 335 + CD_GB1_4 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 339 + CD_GB1_4 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 340 + CD_GB1_4 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 341 + CD_GB1_4 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 342 CD_GB1_4 O_GB1_40 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.000343e-04 0.004395 0.007862 True md_ensemble 7 35 343 - CD_GB1_4 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 344 - CD_GB1_4 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 347 + CD_GB1_4 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 344 + CD_GB1_4 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 347 CD_GB1_4 O_GB1_41 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.800484e-05 0.004395 0.007862 True md_ensemble 7 35 348 - CD_GB1_4 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 349 - CD_GB1_4 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 354 - CD_GB1_4 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 355 - CD_GB1_4 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 356 - CD_GB1_4 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 357 + CD_GB1_4 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 349 + CD_GB1_4 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 354 + CD_GB1_4 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 355 + CD_GB1_4 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 356 + CD_GB1_4 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 357 CD_GB1_4 O_GB1_42 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.155755e-04 0.004395 0.007862 True md_ensemble 7 35 358 - CD_GB1_4 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 359 - CD_GB1_4 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 366 - CD_GB1_4 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 372 + CD_GB1_4 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 359 + CD_GB1_4 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 366 + CD_GB1_4 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 372 CD_GB1_4 O_GB1_43 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 35 373 - CD_GB1_4 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 374 - CD_GB1_4 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 378 - CD_GB1_4 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 380 + CD_GB1_4 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 374 + CD_GB1_4 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 378 + CD_GB1_4 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 380 CD_GB1_4 O_GB1_44 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.993384e-05 0.004395 0.007862 True md_ensemble 7 35 381 - CD_GB1_4 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 382 - CD_GB1_4 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 392 - CD_GB1_4 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 393 + CD_GB1_4 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 382 + CD_GB1_4 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 392 + CD_GB1_4 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 393 CD_GB1_4 O_GB1_45 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.989809e-05 0.004395 0.007862 True md_ensemble 7 35 394 - CD_GB1_4 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 395 - CD_GB1_4 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 399 - CD_GB1_4 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 400 - CD_GB1_4 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 401 - CD_GB1_4 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 402 + CD_GB1_4 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 395 + CD_GB1_4 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 399 + CD_GB1_4 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 400 + CD_GB1_4 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 401 + CD_GB1_4 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 402 CD_GB1_4 O_GB1_46 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.999175e-04 0.004395 0.007862 True md_ensemble 7 35 403 - CD_GB1_4 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 404 - CD_GB1_4 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 408 - CD_GB1_4 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 409 - CD_GB1_4 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 410 - CD_GB1_4 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 411 + CD_GB1_4 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 404 + CD_GB1_4 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 408 + CD_GB1_4 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 409 + CD_GB1_4 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 410 + CD_GB1_4 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 411 CD_GB1_4 O_GB1_47 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 35 412 - CD_GB1_4 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 413 - CD_GB1_4 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 417 + CD_GB1_4 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 413 + CD_GB1_4 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 417 CD_GB1_4 O_GB1_48 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.997526e-05 0.004395 0.007862 True md_ensemble 7 35 418 - CD_GB1_4 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 419 + CD_GB1_4 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 419 CD_GB1_4 CA_GB1_49 1 8.051798e-03 1.299193e-04 ; 5.026860e-01 1.247533e-01 1.270219e-02 1.000635e-04 0.004395 0.007117 True md_ensemble 7 35 421 CD_GB1_4 CB_GB1_49 1 8.621442e-03 1.135169e-04 ; 4.859371e-01 1.636965e-01 2.702101e-02 4.048483e-04 0.004395 0.007117 True md_ensemble 7 35 422 - CD_GB1_4 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 423 + CD_GB1_4 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 423 CD_GB1_4 C_GB1_49 1 2.537369e-03 1.279747e-05 ; 4.141173e-01 1.257717e-01 1.295544e-02 9.921398e-05 0.004395 0.001132 True md_ensemble 7 35 425 CD_GB1_4 O_GB1_49 1 5.968392e-04 5.478414e-07 ; 3.117451e-01 1.625548e-01 2.642964e-02 0.000000e+00 0.004395 0.007862 True md_ensemble 7 35 426 - CD_GB1_4 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 427 + CD_GB1_4 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 427 CD_GB1_4 CA_GB1_50 1 5.010802e-03 4.725329e-05 ; 4.596432e-01 1.328380e-01 1.485717e-02 1.998972e-04 0.004395 0.007117 True md_ensemble 7 35 429 CD_GB1_4 CB_GB1_50 1 2.521609e-03 1.456075e-05 ; 4.235627e-01 1.091721e-01 9.391112e-03 3.571340e-04 0.004395 0.007860 True md_ensemble 7 35 430 - CD_GB1_4 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 434 + CD_GB1_4 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 434 CD_GB1_4 C_GB1_50 1 1.846516e-03 6.465227e-06 ; 3.896773e-01 1.318446e-01 1.457381e-02 9.994157e-05 0.004395 0.001132 True md_ensemble 7 35 435 CD_GB1_4 O_GB1_50 1 5.722871e-04 6.390949e-07 ; 3.221009e-01 1.281158e-01 1.355764e-02 9.996821e-05 0.004395 0.007862 True md_ensemble 7 35 436 CD_GB1_4 N_GB1_51 1 1.683219e-03 8.659638e-06 ; 4.154893e-01 8.179397e-02 5.523932e-03 9.813516e-05 0.004395 0.001132 True md_ensemble 7 35 437 @@ -5934,75 +5934,75 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CD_GB1_4 CB_GB1_51 1 1.076035e-02 8.398762e-05 ; 4.453808e-01 3.446497e-01 9.014903e-01 4.996344e-04 0.004395 0.007117 True md_ensemble 7 35 440 CD_GB1_4 OG1_GB1_51 1 2.362466e-03 4.208328e-06 ; 3.481695e-01 3.315596e-01 6.994698e-01 3.841937e-07 0.004395 0.001132 True md_ensemble 7 35 441 CD_GB1_4 CG2_GB1_51 1 4.358576e-03 1.374688e-05 ; 3.829510e-01 3.454818e-01 9.161484e-01 5.540919e-04 0.004395 0.012151 True md_ensemble 7 35 442 - CD_GB1_4 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 443 + CD_GB1_4 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 443 CD_GB1_4 O_GB1_51 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 35 444 - CD_GB1_4 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 445 - CD_GB1_4 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 455 + CD_GB1_4 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 445 + CD_GB1_4 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 455 CD_GB1_4 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 9.187500e-06 0.000000e+00 0.004395 0.007862 True md_ensemble 7 35 456 - CD_GB1_4 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 457 - CD_GB1_4 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 461 - CD_GB1_4 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 463 + CD_GB1_4 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 457 + CD_GB1_4 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 461 + CD_GB1_4 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 463 CD_GB1_4 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.998572e-04 0.004395 0.007862 True md_ensemble 7 35 464 - CD_GB1_4 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 465 - CD_GB1_4 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 471 + CD_GB1_4 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 465 + CD_GB1_4 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 471 CD_GB1_4 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.967556e-06 0.004395 0.007862 True md_ensemble 7 35 472 - CD_GB1_4 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 473 - CD_GB1_4 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 477 - CD_GB1_4 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 479 + CD_GB1_4 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 473 + CD_GB1_4 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 477 + CD_GB1_4 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 479 CD_GB1_4 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.083879e-04 0.004395 0.007862 True md_ensemble 7 35 480 - CD_GB1_4 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 481 - CD_GB1_4 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 486 - CD_GB1_4 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 487 - CD_GB1_4 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 488 - CD_GB1_4 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 489 - CD_GB1_4 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 490 - CD_GB1_4 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 491 - CE_GB1_4 NZ_GB1_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 37 - CE_GB1_4 C_GB1_4 1 0.000000e+00 6.114620e-06 ; 3.276115e-01 -6.114620e-06 3.355609e-01 3.009315e-01 0.004395 0.001132 True md_ensemble 5 36 38 + CD_GB1_4 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 481 + CD_GB1_4 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 486 + CD_GB1_4 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 487 + CD_GB1_4 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 488 + CD_GB1_4 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 489 + CD_GB1_4 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 490 + CD_GB1_4 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 35 491 + CE_GB1_4 NZ_GB1_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 37 + CE_GB1_4 C_GB1_4 1 0.000000e+00 6.114517e-06 ; 3.276110e-01 -6.114517e-06 3.355609e-01 3.009315e-01 0.004395 0.001132 True md_ensemble 5 36 38 CE_GB1_4 O_GB1_4 1 0.000000e+00 2.015656e-06 ; 2.986733e-01 -2.015656e-06 4.175040e-03 5.686881e-02 0.004395 0.001132 True md_ensemble 6 36 39 - CE_GB1_4 N_GB1_5 1 0.000000e+00 3.614930e-06 ; 3.135716e-01 -3.614930e-06 5.238813e-02 3.575318e-02 0.004395 0.001132 True md_ensemble 6 36 40 + CE_GB1_4 N_GB1_5 1 0.000000e+00 3.614883e-06 ; 3.135712e-01 -3.614883e-06 5.238813e-02 3.575318e-02 0.004395 0.001132 True md_ensemble 6 36 40 CE_GB1_4 CA_GB1_5 1 1.238679e-02 2.229040e-04 ; 5.119095e-01 1.720836e-01 2.229166e-01 4.990069e-02 0.004395 0.007117 True md_ensemble 7 36 42 CE_GB1_4 C_GB1_5 1 3.803754e-03 2.492157e-05 ; 4.325741e-01 1.451408e-01 1.601726e-01 9.611625e-03 0.004395 0.001132 True md_ensemble 7 36 47 CE_GB1_4 O_GB1_5 1 1.488053e-03 2.681175e-06 ; 3.488332e-01 2.064675e-01 1.653443e-01 2.099656e-02 0.004395 0.007862 True md_ensemble 7 36 48 - CE_GB1_4 N_GB1_6 1 0.000000e+00 3.649920e-06 ; 3.138234e-01 -3.649920e-06 1.147641e-02 4.359597e-03 0.004395 0.001132 True md_ensemble 7 36 49 + CE_GB1_4 N_GB1_6 1 0.000000e+00 3.649872e-06 ; 3.138230e-01 -3.649872e-06 1.147641e-02 4.359597e-03 0.004395 0.001132 True md_ensemble 7 36 49 CE_GB1_4 CA_GB1_6 1 1.528451e-02 2.552206e-04 ; 5.055654e-01 2.288376e-01 3.063480e-01 2.282576e-02 0.004395 0.007117 True md_ensemble 7 36 51 CE_GB1_4 CB_GB1_6 1 1.157665e-02 1.475672e-04 ; 4.833197e-01 2.270471e-01 4.245154e-01 3.274737e-02 0.004395 0.007117 True md_ensemble 7 36 52 CE_GB1_4 CG1_GB1_6 1 2.717493e-03 6.992114e-06 ; 3.701747e-01 2.640392e-01 8.077607e-01 3.359912e-02 0.004395 0.007860 True md_ensemble 7 36 53 CE_GB1_4 CG2_GB1_6 1 1.231662e-03 3.270523e-06 ; 3.721239e-01 1.159594e-01 1.990706e-02 2.258263e-02 0.004395 0.012151 True md_ensemble 7 36 54 CE_GB1_4 CD_GB1_6 1 2.685755e-03 6.255015e-06 ; 3.640773e-01 2.882999e-01 8.032626e-01 3.227502e-02 0.004395 0.012151 True md_ensemble 7 36 55 - CE_GB1_4 C_GB1_6 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 56 + CE_GB1_4 C_GB1_6 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 56 CE_GB1_4 O_GB1_6 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.634698e-02 0.004395 0.007862 True md_ensemble 7 36 57 - CE_GB1_4 N_GB1_7 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 58 - CE_GB1_4 C_GB1_7 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 65 + CE_GB1_4 N_GB1_7 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 58 + CE_GB1_4 C_GB1_7 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 65 CE_GB1_4 O_GB1_7 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.528824e-03 0.004395 0.007862 True md_ensemble 7 36 66 - CE_GB1_4 N_GB1_8 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 67 - CE_GB1_4 CG_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 71 + CE_GB1_4 N_GB1_8 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 67 + CE_GB1_4 CG_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 71 CE_GB1_4 OD1_GB1_8 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.166450e-03 0.004395 0.007862 True md_ensemble 7 36 72 - CE_GB1_4 ND2_GB1_8 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 73 - CE_GB1_4 C_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 74 + CE_GB1_4 ND2_GB1_8 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 73 + CE_GB1_4 C_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 74 CE_GB1_4 O_GB1_8 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.300894e-03 0.004395 0.007862 True md_ensemble 7 36 75 - CE_GB1_4 N_GB1_9 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 76 - CE_GB1_4 C_GB1_9 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 79 + CE_GB1_4 N_GB1_9 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 76 + CE_GB1_4 C_GB1_9 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 79 CE_GB1_4 O_GB1_9 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.811761e-03 0.004395 0.007862 True md_ensemble 7 36 80 - CE_GB1_4 N_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 81 - CE_GB1_4 NZ_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 88 - CE_GB1_4 C_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 89 + CE_GB1_4 N_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 81 + CE_GB1_4 NZ_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 88 + CE_GB1_4 C_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 89 CE_GB1_4 O_GB1_10 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.543238e-04 0.004395 0.007862 True md_ensemble 7 36 90 - CE_GB1_4 N_GB1_11 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 91 - CE_GB1_4 OG1_GB1_11 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 95 - CE_GB1_4 C_GB1_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 97 + CE_GB1_4 N_GB1_11 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 91 + CE_GB1_4 OG1_GB1_11 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 95 + CE_GB1_4 C_GB1_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 97 CE_GB1_4 O_GB1_11 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.024863e-04 0.004395 0.007862 True md_ensemble 7 36 98 - CE_GB1_4 N_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 99 - CE_GB1_4 C_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 106 + CE_GB1_4 N_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 99 + CE_GB1_4 C_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 106 CE_GB1_4 O_GB1_12 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 8.922833e-04 0.004395 0.007862 True md_ensemble 7 36 107 - CE_GB1_4 N_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 108 - CE_GB1_4 NZ_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 115 - CE_GB1_4 C_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 116 + CE_GB1_4 N_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 108 + CE_GB1_4 NZ_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 115 + CE_GB1_4 C_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 116 CE_GB1_4 O_GB1_13 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.308426e-04 0.004395 0.007862 True md_ensemble 7 36 117 - CE_GB1_4 N_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 118 - CE_GB1_4 C_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 121 + CE_GB1_4 N_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 118 + CE_GB1_4 C_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 121 CE_GB1_4 O_GB1_14 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 8.601874e-04 0.004395 0.007862 True md_ensemble 7 36 122 - CE_GB1_4 N_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 123 + CE_GB1_4 N_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 123 CE_GB1_4 CA_GB1_15 1 1.200792e-02 1.212445e-04 ; 4.649066e-01 2.973129e-01 3.601481e-01 1.331940e-03 0.004395 0.007117 True md_ensemble 7 36 125 CE_GB1_4 CB_GB1_15 1 3.227001e-03 8.106613e-06 ; 3.687002e-01 3.211432e-01 5.715893e-01 1.033262e-03 0.004395 0.007860 True md_ensemble 7 36 126 CE_GB1_4 CG_GB1_15 1 2.909151e-03 6.156451e-06 ; 3.583114e-01 3.436705e-01 8.845418e-01 1.379216e-03 0.004395 0.007860 True md_ensemble 7 36 127 @@ -6013,7 +6013,7 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CE_GB1_4 O_GB1_15 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 4.857800e-04 4.124001e-04 0.004395 0.007862 True md_ensemble 7 36 132 CE_GB1_4 N_GB1_16 1 3.892701e-03 1.639879e-05 ; 4.018773e-01 2.310098e-01 9.961921e-02 1.930241e-04 0.004395 0.001132 True md_ensemble 7 36 133 CE_GB1_4 CA_GB1_16 1 1.349682e-02 1.694513e-04 ; 4.820983e-01 2.687559e-01 2.070568e-01 1.418279e-03 0.004395 0.007117 True md_ensemble 7 36 135 - CE_GB1_4 OG1_GB1_16 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 137 + CE_GB1_4 OG1_GB1_16 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 137 CE_GB1_4 C_GB1_16 1 4.651374e-03 2.312763e-05 ; 4.131347e-01 2.338683e-01 1.052946e-01 5.275727e-04 0.004395 0.001132 True md_ensemble 7 36 139 CE_GB1_4 O_GB1_16 1 1.467500e-03 2.274456e-06 ; 3.401861e-01 2.367110e-01 1.112593e-01 6.898679e-04 0.004395 0.007862 True md_ensemble 7 36 140 CE_GB1_4 N_GB1_17 1 2.178228e-03 1.034176e-05 ; 4.099666e-01 1.146970e-01 1.045263e-02 8.128824e-05 0.004395 0.001132 True md_ensemble 7 36 141 @@ -6021,226 +6021,226 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CE_GB1_4 CB_GB1_17 1 1.151656e-02 1.085956e-04 ; 4.596369e-01 3.053326e-01 4.207178e-01 1.615179e-03 0.004395 0.007117 True md_ensemble 7 36 144 CE_GB1_4 OG1_GB1_17 1 8.694560e-04 9.133145e-07 ; 3.188322e-01 2.069259e-01 6.246057e-02 7.841011e-04 0.004395 0.001132 True md_ensemble 7 36 145 CE_GB1_4 CG2_GB1_17 1 2.749616e-03 5.678257e-06 ; 3.568539e-01 3.328658e-01 7.174053e-01 1.614787e-03 0.004395 0.012151 True md_ensemble 7 36 146 - CE_GB1_4 C_GB1_17 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 147 + CE_GB1_4 C_GB1_17 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 147 CE_GB1_4 O_GB1_17 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.997967e-04 0.004395 0.007862 True md_ensemble 7 36 148 - CE_GB1_4 N_GB1_18 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 149 - CE_GB1_4 OG1_GB1_18 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 153 - CE_GB1_4 C_GB1_18 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 155 + CE_GB1_4 N_GB1_18 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 149 + CE_GB1_4 OG1_GB1_18 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 153 + CE_GB1_4 C_GB1_18 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 155 CE_GB1_4 O_GB1_18 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.993705e-04 0.004395 0.007862 True md_ensemble 7 36 156 - CE_GB1_4 N_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 157 - CE_GB1_4 CD_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 162 - CE_GB1_4 OE1_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 163 - CE_GB1_4 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 164 - CE_GB1_4 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 165 + CE_GB1_4 N_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 157 + CE_GB1_4 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 162 + CE_GB1_4 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 163 + CE_GB1_4 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 164 + CE_GB1_4 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 165 CE_GB1_4 O_GB1_19 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.995693e-04 0.004395 0.007862 True md_ensemble 7 36 166 - CE_GB1_4 N_GB1_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 167 - CE_GB1_4 C_GB1_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 171 + CE_GB1_4 N_GB1_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 167 + CE_GB1_4 C_GB1_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 171 CE_GB1_4 O_GB1_20 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.003308e-04 0.004395 0.007862 True md_ensemble 7 36 172 - CE_GB1_4 N_GB1_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 173 - CE_GB1_4 C_GB1_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 179 + CE_GB1_4 N_GB1_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 173 + CE_GB1_4 C_GB1_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 179 CE_GB1_4 O_GB1_21 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.704346e-04 0.004395 0.007862 True md_ensemble 7 36 180 - CE_GB1_4 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 181 - CE_GB1_4 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 185 - CE_GB1_4 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 186 - CE_GB1_4 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 187 - CE_GB1_4 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 188 + CE_GB1_4 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 181 + CE_GB1_4 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 185 + CE_GB1_4 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 186 + CE_GB1_4 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 187 + CE_GB1_4 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 188 CE_GB1_4 O_GB1_22 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.507045e-04 0.004395 0.007862 True md_ensemble 7 36 189 - CE_GB1_4 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 190 - CE_GB1_4 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 194 + CE_GB1_4 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 190 + CE_GB1_4 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 194 CE_GB1_4 O_GB1_23 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.139371e-04 0.004395 0.007862 True md_ensemble 7 36 195 - CE_GB1_4 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 196 - CE_GB1_4 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 200 + CE_GB1_4 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 196 + CE_GB1_4 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 200 CE_GB1_4 O_GB1_24 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000137e-04 0.004395 0.007862 True md_ensemble 7 36 201 - CE_GB1_4 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 202 - CE_GB1_4 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 206 - CE_GB1_4 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 208 + CE_GB1_4 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 202 + CE_GB1_4 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 206 + CE_GB1_4 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 208 CE_GB1_4 O_GB1_25 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.649060e-04 0.004395 0.007862 True md_ensemble 7 36 209 - CE_GB1_4 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 210 - CE_GB1_4 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 214 + CE_GB1_4 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 210 + CE_GB1_4 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 214 CE_GB1_4 O_GB1_26 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.140824e-05 0.004395 0.007862 True md_ensemble 7 36 215 - CE_GB1_4 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 216 - CE_GB1_4 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 221 - CE_GB1_4 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 222 - CE_GB1_4 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 223 - CE_GB1_4 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 224 + CE_GB1_4 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 216 + CE_GB1_4 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 221 + CE_GB1_4 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 222 + CE_GB1_4 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 223 + CE_GB1_4 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 224 CE_GB1_4 O_GB1_27 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000042e-04 0.004395 0.007862 True md_ensemble 7 36 225 - CE_GB1_4 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 226 - CE_GB1_4 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 233 - CE_GB1_4 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 234 + CE_GB1_4 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 226 + CE_GB1_4 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 233 + CE_GB1_4 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 234 CE_GB1_4 O_GB1_28 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.660597e-04 0.004395 0.007862 True md_ensemble 7 36 235 - CE_GB1_4 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 236 - CE_GB1_4 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 242 + CE_GB1_4 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 236 + CE_GB1_4 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 242 CE_GB1_4 O_GB1_29 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.624793e-05 0.004395 0.007862 True md_ensemble 7 36 243 - CE_GB1_4 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 244 - CE_GB1_4 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 254 + CE_GB1_4 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 244 + CE_GB1_4 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 254 CE_GB1_4 O_GB1_30 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.164067e-04 0.004395 0.007862 True md_ensemble 7 36 255 - CE_GB1_4 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 256 - CE_GB1_4 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 263 - CE_GB1_4 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 264 + CE_GB1_4 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 256 + CE_GB1_4 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 263 + CE_GB1_4 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 264 CE_GB1_4 O_GB1_31 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000132e-04 0.004395 0.007862 True md_ensemble 7 36 265 - CE_GB1_4 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 266 - CE_GB1_4 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 271 + CE_GB1_4 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 266 + CE_GB1_4 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 271 CE_GB1_4 OE1_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.964650e-04 0.004395 0.007862 True md_ensemble 7 36 272 - CE_GB1_4 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 273 - CE_GB1_4 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 274 + CE_GB1_4 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 273 + CE_GB1_4 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 274 CE_GB1_4 O_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.974024e-04 0.004395 0.007862 True md_ensemble 7 36 275 - CE_GB1_4 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 276 - CE_GB1_4 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 286 - CE_GB1_4 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 287 + CE_GB1_4 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 276 + CE_GB1_4 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 286 + CE_GB1_4 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 287 CE_GB1_4 O_GB1_33 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.343301e-04 0.004395 0.007862 True md_ensemble 7 36 288 - CE_GB1_4 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 289 - CE_GB1_4 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 293 + CE_GB1_4 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 289 + CE_GB1_4 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 293 CE_GB1_4 O_GB1_34 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.999858e-04 0.004395 0.007862 True md_ensemble 7 36 294 - CE_GB1_4 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 295 - CE_GB1_4 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 299 + CE_GB1_4 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 295 + CE_GB1_4 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 299 CE_GB1_4 OD1_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.610759e-04 0.004395 0.007862 True md_ensemble 7 36 300 - CE_GB1_4 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 301 - CE_GB1_4 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 302 + CE_GB1_4 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 301 + CE_GB1_4 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 302 CE_GB1_4 O_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000656e-04 0.004395 0.007862 True md_ensemble 7 36 303 - CE_GB1_4 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 304 - CE_GB1_4 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 308 - CE_GB1_4 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 309 - CE_GB1_4 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 310 - CE_GB1_4 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 311 + CE_GB1_4 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 304 + CE_GB1_4 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 308 + CE_GB1_4 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 309 + CE_GB1_4 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 310 + CE_GB1_4 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 311 CE_GB1_4 O_GB1_36 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.996408e-05 0.004395 0.007862 True md_ensemble 7 36 312 - CE_GB1_4 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 313 - CE_GB1_4 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 317 + CE_GB1_4 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 313 + CE_GB1_4 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 317 CE_GB1_4 OD1_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.000392e-04 0.004395 0.007862 True md_ensemble 7 36 318 - CE_GB1_4 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 319 - CE_GB1_4 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 320 + CE_GB1_4 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 319 + CE_GB1_4 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 320 CE_GB1_4 O_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.970822e-04 0.004395 0.007862 True md_ensemble 7 36 321 - CE_GB1_4 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 322 - CE_GB1_4 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 325 + CE_GB1_4 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 322 + CE_GB1_4 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 325 CE_GB1_4 O_GB1_38 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.663385e-04 0.004395 0.007862 True md_ensemble 7 36 326 - CE_GB1_4 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 327 - CE_GB1_4 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 333 + CE_GB1_4 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 327 + CE_GB1_4 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 333 CE_GB1_4 O_GB1_39 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.794236e-04 0.004395 0.007862 True md_ensemble 7 36 334 - CE_GB1_4 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 335 - CE_GB1_4 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 339 - CE_GB1_4 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 340 - CE_GB1_4 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 341 - CE_GB1_4 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 342 + CE_GB1_4 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 335 + CE_GB1_4 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 339 + CE_GB1_4 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 340 + CE_GB1_4 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 341 + CE_GB1_4 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 342 CE_GB1_4 O_GB1_40 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.000664e-04 0.004395 0.007862 True md_ensemble 7 36 343 - CE_GB1_4 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 344 - CE_GB1_4 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 347 + CE_GB1_4 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 344 + CE_GB1_4 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 347 CE_GB1_4 O_GB1_41 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.999069e-04 0.004395 0.007862 True md_ensemble 7 36 348 - CE_GB1_4 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 349 - CE_GB1_4 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 354 - CE_GB1_4 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 355 - CE_GB1_4 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 356 - CE_GB1_4 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 357 + CE_GB1_4 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 349 + CE_GB1_4 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 354 + CE_GB1_4 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 355 + CE_GB1_4 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 356 + CE_GB1_4 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 357 CE_GB1_4 O_GB1_42 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.997438e-05 0.004395 0.007862 True md_ensemble 7 36 358 - CE_GB1_4 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 359 - CE_GB1_4 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 366 - CE_GB1_4 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 372 + CE_GB1_4 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 359 + CE_GB1_4 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 366 + CE_GB1_4 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 372 CE_GB1_4 O_GB1_43 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.407997e-04 0.004395 0.007862 True md_ensemble 7 36 373 - CE_GB1_4 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 374 - CE_GB1_4 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 378 - CE_GB1_4 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 380 + CE_GB1_4 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 374 + CE_GB1_4 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 378 + CE_GB1_4 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 380 CE_GB1_4 O_GB1_44 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 36 381 - CE_GB1_4 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 382 - CE_GB1_4 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 392 - CE_GB1_4 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 393 + CE_GB1_4 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 382 + CE_GB1_4 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 392 + CE_GB1_4 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 393 CE_GB1_4 O_GB1_45 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.998852e-04 0.004395 0.007862 True md_ensemble 7 36 394 - CE_GB1_4 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 395 - CE_GB1_4 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 399 - CE_GB1_4 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 400 - CE_GB1_4 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 401 - CE_GB1_4 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 402 + CE_GB1_4 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 395 + CE_GB1_4 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 399 + CE_GB1_4 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 400 + CE_GB1_4 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 401 + CE_GB1_4 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 402 CE_GB1_4 O_GB1_46 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.837487e-04 0.004395 0.007862 True md_ensemble 7 36 403 - CE_GB1_4 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 404 - CE_GB1_4 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 408 - CE_GB1_4 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 409 - CE_GB1_4 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 410 - CE_GB1_4 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 411 + CE_GB1_4 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 404 + CE_GB1_4 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 408 + CE_GB1_4 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 409 + CE_GB1_4 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 410 + CE_GB1_4 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 411 CE_GB1_4 O_GB1_47 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000281e-04 0.004395 0.007862 True md_ensemble 7 36 412 - CE_GB1_4 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 413 - CE_GB1_4 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 417 + CE_GB1_4 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 413 + CE_GB1_4 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 417 CE_GB1_4 O_GB1_48 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000088e-04 0.004395 0.007862 True md_ensemble 7 36 418 - CE_GB1_4 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 419 + CE_GB1_4 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 419 CE_GB1_4 CA_GB1_49 1 8.328314e-03 1.101504e-04 ; 4.863006e-01 1.574230e-01 2.392717e-02 3.179170e-04 0.004395 0.007117 True md_ensemble 7 36 421 CE_GB1_4 CB_GB1_49 1 1.032856e-02 1.158880e-04 ; 4.731510e-01 2.301344e-01 9.794329e-02 6.339768e-04 0.004395 0.007117 True md_ensemble 7 36 422 - CE_GB1_4 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 423 + CE_GB1_4 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 423 CE_GB1_4 CG2_GB1_49 1 2.986264e-03 2.724488e-05 ; 4.571157e-01 8.182980e-02 5.527770e-03 2.320790e-04 0.004395 0.012151 True md_ensemble 7 36 424 CE_GB1_4 C_GB1_49 1 2.449347e-03 1.041177e-05 ; 4.024813e-01 1.440509e-01 1.846399e-02 0.000000e+00 0.004395 0.001132 True md_ensemble 7 36 425 CE_GB1_4 O_GB1_49 1 4.543596e-04 2.884587e-07 ; 2.931663e-01 1.789187e-01 3.629460e-02 7.494729e-05 0.004395 0.007862 True md_ensemble 7 36 426 - CE_GB1_4 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 427 + CE_GB1_4 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 427 CE_GB1_4 CA_GB1_50 1 4.946968e-03 4.639204e-05 ; 4.592164e-01 1.318787e-01 1.458345e-02 1.734911e-04 0.004395 0.007117 True md_ensemble 7 36 429 CE_GB1_4 CB_GB1_50 1 2.447681e-03 1.302069e-05 ; 4.178110e-01 1.150312e-01 1.052055e-02 4.838970e-04 0.004395 0.007860 True md_ensemble 7 36 430 - CE_GB1_4 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 434 + CE_GB1_4 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 434 CE_GB1_4 C_GB1_50 1 1.748691e-03 6.566761e-06 ; 3.942512e-01 1.164166e-01 1.080690e-02 1.000576e-04 0.004395 0.001132 True md_ensemble 7 36 435 CE_GB1_4 O_GB1_50 1 5.794577e-04 8.758182e-07 ; 3.387651e-01 9.584503e-02 7.253202e-03 1.699253e-04 0.004395 0.007862 True md_ensemble 7 36 436 - CE_GB1_4 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 437 + CE_GB1_4 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 437 CE_GB1_4 CA_GB1_51 1 1.275916e-02 1.450476e-04 ; 4.741853e-01 2.805910e-01 2.604452e-01 6.108349e-04 0.004395 0.007117 True md_ensemble 7 36 439 CE_GB1_4 CB_GB1_51 1 6.647230e-03 3.504738e-05 ; 4.171918e-01 3.151853e-01 5.092494e-01 5.968916e-04 0.004395 0.007117 True md_ensemble 7 36 440 CE_GB1_4 OG1_GB1_51 1 9.792753e-04 7.940883e-07 ; 3.053707e-01 3.019123e-01 3.937302e-01 1.950829e-04 0.004395 0.001132 True md_ensemble 7 36 441 CE_GB1_4 CG2_GB1_51 1 2.990608e-03 6.990608e-06 ; 3.643001e-01 3.198482e-01 5.574205e-01 7.965656e-04 0.004395 0.012151 True md_ensemble 7 36 442 - CE_GB1_4 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 443 + CE_GB1_4 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 443 CE_GB1_4 O_GB1_51 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.749031e-04 0.004395 0.007862 True md_ensemble 7 36 444 - CE_GB1_4 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 445 - CE_GB1_4 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 455 + CE_GB1_4 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 445 + CE_GB1_4 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 455 CE_GB1_4 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.005878e-06 0.004395 0.007862 True md_ensemble 7 36 456 - CE_GB1_4 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 457 - CE_GB1_4 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 461 - CE_GB1_4 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 463 + CE_GB1_4 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 457 + CE_GB1_4 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 461 + CE_GB1_4 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 463 CE_GB1_4 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.000209e-04 0.004395 0.007862 True md_ensemble 7 36 464 - CE_GB1_4 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 465 - CE_GB1_4 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 471 + CE_GB1_4 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 465 + CE_GB1_4 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 471 CE_GB1_4 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.715211e-04 0.004395 0.007862 True md_ensemble 7 36 472 - CE_GB1_4 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 473 - CE_GB1_4 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 477 - CE_GB1_4 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 479 + CE_GB1_4 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 473 + CE_GB1_4 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 477 + CE_GB1_4 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 479 CE_GB1_4 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.000651e-04 0.004395 0.007862 True md_ensemble 7 36 480 - CE_GB1_4 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 481 - CE_GB1_4 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 486 - CE_GB1_4 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 487 - CE_GB1_4 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 488 - CE_GB1_4 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 489 - CE_GB1_4 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 490 - CE_GB1_4 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 491 + CE_GB1_4 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 481 + CE_GB1_4 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 486 + CE_GB1_4 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 487 + CE_GB1_4 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 488 + CE_GB1_4 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 489 + CE_GB1_4 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 490 + CE_GB1_4 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 36 491 NZ_GB1_4 NZ_GB1_4 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 37 NZ_GB1_4 C_GB1_4 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 2.193250e-05 1.922483e-02 0.004395 0.001132 True md_ensemble 6 37 38 NZ_GB1_4 N_GB1_5 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 4.174919e-03 0.004395 0.001132 True md_ensemble 7 37 40 - NZ_GB1_4 CB_GB1_5 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 43 - NZ_GB1_4 CG_GB1_5 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 44 - NZ_GB1_4 CD1_GB1_5 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 45 - NZ_GB1_4 CD2_GB1_5 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 46 + NZ_GB1_4 CB_GB1_5 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 43 + NZ_GB1_4 CG_GB1_5 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 44 + NZ_GB1_4 CD1_GB1_5 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 45 + NZ_GB1_4 CD2_GB1_5 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 46 NZ_GB1_4 N_GB1_6 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 9.136737e-04 0.004395 0.001132 True md_ensemble 7 37 49 - NZ_GB1_4 CB_GB1_6 1 0.000000e+00 7.619400e-06 ; 3.336735e-01 -7.619400e-06 4.683090e-03 1.054520e-02 0.004395 0.001132 True md_ensemble 7 37 52 + NZ_GB1_4 CB_GB1_6 1 0.000000e+00 7.619388e-06 ; 3.336735e-01 -7.619388e-06 4.683090e-03 1.054520e-02 0.004395 0.001132 True md_ensemble 7 37 52 NZ_GB1_4 CG1_GB1_6 1 2.899335e-03 1.303442e-05 ; 4.062552e-01 1.612297e-01 2.700931e-01 1.186549e-02 0.004395 0.001132 True md_ensemble 7 37 53 - NZ_GB1_4 CG2_GB1_6 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 54 + NZ_GB1_4 CG2_GB1_6 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 54 NZ_GB1_4 CD_GB1_6 1 1.988927e-03 5.769832e-06 ; 3.776511e-01 1.714014e-01 3.994684e-01 1.440885e-02 0.004395 0.001132 True md_ensemble 7 37 55 NZ_GB1_4 N_GB1_7 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 3.652727e-04 0.004395 0.001132 True md_ensemble 7 37 58 - NZ_GB1_4 CB_GB1_7 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 61 - NZ_GB1_4 CG_GB1_7 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 62 - NZ_GB1_4 CD1_GB1_7 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 63 - NZ_GB1_4 CD2_GB1_7 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 64 + NZ_GB1_4 CB_GB1_7 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 61 + NZ_GB1_4 CG_GB1_7 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 62 + NZ_GB1_4 CD1_GB1_7 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 63 + NZ_GB1_4 CD2_GB1_7 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 64 NZ_GB1_4 N_GB1_8 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 6.213265e-04 0.004395 0.001132 True md_ensemble 7 37 67 - NZ_GB1_4 CB_GB1_8 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 70 + NZ_GB1_4 CB_GB1_8 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 70 NZ_GB1_4 N_GB1_9 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 7.948205e-04 0.004395 0.001132 True md_ensemble 7 37 76 - NZ_GB1_4 CA_GB1_9 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 78 + NZ_GB1_4 CA_GB1_9 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 78 NZ_GB1_4 N_GB1_10 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 3.118804e-04 0.004395 0.001132 True md_ensemble 7 37 81 - NZ_GB1_4 CB_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 84 - NZ_GB1_4 CG_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 85 - NZ_GB1_4 CD_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 86 - NZ_GB1_4 CE_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 87 + NZ_GB1_4 CB_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 84 + NZ_GB1_4 CG_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 85 + NZ_GB1_4 CD_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 86 + NZ_GB1_4 CE_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 87 NZ_GB1_4 NZ_GB1_10 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 88 NZ_GB1_4 N_GB1_11 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.989538e-04 0.004395 0.001132 True md_ensemble 7 37 91 - NZ_GB1_4 CB_GB1_11 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 94 - NZ_GB1_4 CG2_GB1_11 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 96 + NZ_GB1_4 CB_GB1_11 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 94 + NZ_GB1_4 CG2_GB1_11 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 96 NZ_GB1_4 N_GB1_12 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.933456e-04 0.004395 0.001132 True md_ensemble 7 37 99 - NZ_GB1_4 CB_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 102 - NZ_GB1_4 CG_GB1_12 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 103 - NZ_GB1_4 CD1_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 104 - NZ_GB1_4 CD2_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 105 + NZ_GB1_4 CB_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 102 + NZ_GB1_4 CG_GB1_12 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 103 + NZ_GB1_4 CD1_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 104 + NZ_GB1_4 CD2_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 105 NZ_GB1_4 N_GB1_13 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 37 108 - NZ_GB1_4 CB_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 111 - NZ_GB1_4 CG_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 112 - NZ_GB1_4 CD_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 113 - NZ_GB1_4 CE_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 114 + NZ_GB1_4 CB_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 111 + NZ_GB1_4 CG_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 112 + NZ_GB1_4 CD_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 113 + NZ_GB1_4 CE_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 114 NZ_GB1_4 NZ_GB1_13 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 115 NZ_GB1_4 N_GB1_14 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 2.392850e-04 0.004395 0.001132 True md_ensemble 7 37 118 - NZ_GB1_4 CA_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 120 + NZ_GB1_4 CA_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 120 NZ_GB1_4 N_GB1_15 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.907305e-04 0.004395 0.001132 True md_ensemble 7 37 123 NZ_GB1_4 CA_GB1_15 1 5.423635e-03 4.853774e-05 ; 4.556501e-01 1.515100e-01 2.133616e-02 4.832974e-04 0.004395 0.008482 True md_ensemble 7 37 125 NZ_GB1_4 CB_GB1_15 1 3.711380e-03 1.228128e-05 ; 3.860273e-01 2.803930e-01 2.594480e-01 3.878150e-04 0.004395 0.001132 True md_ensemble 7 37 126 @@ -6250,8 +6250,8 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 NZ_GB1_4 OE2_GB1_15 1 2.299834e-04 4.212699e-08 ; 2.383110e-01 3.138864e-01 4.965881e-01 5.796237e-04 0.004395 0.011584 True md_ensemble 7 37 130 NZ_GB1_4 N_GB1_16 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.410872e-03 1.828957e-04 0.004395 0.001132 True md_ensemble 7 37 133 NZ_GB1_4 CA_GB1_16 1 3.436976e-03 2.371017e-05 ; 4.363078e-01 1.245542e-01 1.265327e-02 7.998256e-04 0.004395 0.008482 True md_ensemble 7 37 135 - NZ_GB1_4 CB_GB1_16 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 136 - NZ_GB1_4 CG2_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 138 + NZ_GB1_4 CB_GB1_16 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 136 + NZ_GB1_4 CG2_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 138 NZ_GB1_4 C_GB1_16 1 7.976213e-04 2.022501e-06 ; 3.692740e-01 7.864021e-02 5.196370e-03 3.886577e-04 0.004395 0.011584 True md_ensemble 7 37 139 NZ_GB1_4 N_GB1_17 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 9.074725e-04 1.000382e-04 0.004395 0.001132 True md_ensemble 7 37 141 NZ_GB1_4 CA_GB1_17 1 5.063475e-03 3.696309e-05 ; 4.404398e-01 1.734080e-01 3.261768e-02 4.706420e-04 0.004395 0.008482 True md_ensemble 7 37 143 @@ -6259,100 +6259,100 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 NZ_GB1_4 OG1_GB1_17 1 1.656943e-04 3.749915e-08 ; 2.468609e-01 1.830348e-01 3.930890e-02 4.608363e-04 0.004395 0.011584 True md_ensemble 7 37 145 NZ_GB1_4 CG2_GB1_17 1 2.444149e-03 5.948561e-06 ; 3.667589e-01 2.510633e-01 1.469446e-01 8.961692e-04 0.004395 0.001132 True md_ensemble 7 37 146 NZ_GB1_4 N_GB1_18 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.824084e-05 0.004395 0.001132 True md_ensemble 7 37 149 - NZ_GB1_4 CB_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 152 - NZ_GB1_4 CG2_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 154 + NZ_GB1_4 CB_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 152 + NZ_GB1_4 CG2_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 154 NZ_GB1_4 N_GB1_19 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.999853e-04 0.004395 0.001132 True md_ensemble 7 37 157 - NZ_GB1_4 CB_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 160 - NZ_GB1_4 CG_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 161 + NZ_GB1_4 CB_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 160 + NZ_GB1_4 CG_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 161 NZ_GB1_4 N_GB1_20 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.000658e-04 0.004395 0.001132 True md_ensemble 7 37 167 - NZ_GB1_4 CB_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 170 + NZ_GB1_4 CB_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 170 NZ_GB1_4 N_GB1_21 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 37 173 - NZ_GB1_4 CB_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 176 - NZ_GB1_4 CG1_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 177 - NZ_GB1_4 CG2_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 178 + NZ_GB1_4 CB_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 176 + NZ_GB1_4 CG1_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 177 + NZ_GB1_4 CG2_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 178 NZ_GB1_4 N_GB1_22 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 37 181 - NZ_GB1_4 CB_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 184 + NZ_GB1_4 CB_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 184 NZ_GB1_4 N_GB1_23 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 2.311169e-04 0.004395 0.001132 True md_ensemble 7 37 190 - NZ_GB1_4 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 193 + NZ_GB1_4 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 193 NZ_GB1_4 N_GB1_24 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 37 196 - NZ_GB1_4 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 199 + NZ_GB1_4 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 199 NZ_GB1_4 N_GB1_25 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 37 202 - NZ_GB1_4 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 205 - NZ_GB1_4 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 207 + NZ_GB1_4 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 205 + NZ_GB1_4 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 207 NZ_GB1_4 N_GB1_26 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 37 210 - NZ_GB1_4 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 213 + NZ_GB1_4 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 213 NZ_GB1_4 N_GB1_27 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 37 216 - NZ_GB1_4 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 219 - NZ_GB1_4 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 220 + NZ_GB1_4 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 219 + NZ_GB1_4 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 220 NZ_GB1_4 N_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 37 226 - NZ_GB1_4 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 229 - NZ_GB1_4 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 230 - NZ_GB1_4 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 231 - NZ_GB1_4 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 232 + NZ_GB1_4 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 229 + NZ_GB1_4 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 230 + NZ_GB1_4 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 231 + NZ_GB1_4 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 232 NZ_GB1_4 NZ_GB1_28 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 233 NZ_GB1_4 N_GB1_29 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 3.084695e-06 0.004395 0.001132 True md_ensemble 7 37 236 - NZ_GB1_4 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 239 - NZ_GB1_4 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 240 - NZ_GB1_4 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 241 + NZ_GB1_4 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 239 + NZ_GB1_4 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 240 + NZ_GB1_4 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 241 NZ_GB1_4 N_GB1_30 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 3.240602e-05 0.004395 0.001132 True md_ensemble 7 37 244 - NZ_GB1_4 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 247 + NZ_GB1_4 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 247 NZ_GB1_4 N_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 9.644427e-05 0.004395 0.001132 True md_ensemble 7 37 256 - NZ_GB1_4 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 259 - NZ_GB1_4 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 260 - NZ_GB1_4 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 261 - NZ_GB1_4 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 262 + NZ_GB1_4 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 259 + NZ_GB1_4 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 260 + NZ_GB1_4 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 261 + NZ_GB1_4 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 262 NZ_GB1_4 NZ_GB1_31 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 263 NZ_GB1_4 N_GB1_32 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 6.270315e-06 0.004395 0.001132 True md_ensemble 7 37 266 - NZ_GB1_4 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 269 - NZ_GB1_4 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 270 + NZ_GB1_4 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 269 + NZ_GB1_4 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 270 NZ_GB1_4 N_GB1_33 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 37 276 - NZ_GB1_4 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 279 + NZ_GB1_4 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 279 NZ_GB1_4 N_GB1_34 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 2.001184e-04 0.004395 0.001132 True md_ensemble 7 37 289 - NZ_GB1_4 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 292 + NZ_GB1_4 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 292 NZ_GB1_4 N_GB1_35 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 37 295 - NZ_GB1_4 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 298 + NZ_GB1_4 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 298 NZ_GB1_4 N_GB1_36 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.530020e-06 0.004395 0.001132 True md_ensemble 7 37 304 - NZ_GB1_4 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 307 + NZ_GB1_4 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 307 NZ_GB1_4 N_GB1_37 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.000466e-04 0.004395 0.001132 True md_ensemble 7 37 313 - NZ_GB1_4 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 316 + NZ_GB1_4 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 316 NZ_GB1_4 N_GB1_38 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 5.984383e-05 0.004395 0.001132 True md_ensemble 7 37 322 - NZ_GB1_4 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 324 + NZ_GB1_4 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 324 NZ_GB1_4 N_GB1_39 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.383153e-05 0.004395 0.001132 True md_ensemble 7 37 327 - NZ_GB1_4 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 330 - NZ_GB1_4 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 331 - NZ_GB1_4 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 332 + NZ_GB1_4 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 330 + NZ_GB1_4 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 331 + NZ_GB1_4 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 332 NZ_GB1_4 N_GB1_40 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 37 335 - NZ_GB1_4 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 338 + NZ_GB1_4 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 338 NZ_GB1_4 N_GB1_41 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 8.648102e-05 0.004395 0.001132 True md_ensemble 7 37 344 - NZ_GB1_4 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 346 + NZ_GB1_4 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 346 NZ_GB1_4 N_GB1_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 3.684552e-06 0.004395 0.001132 True md_ensemble 7 37 349 - NZ_GB1_4 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 352 - NZ_GB1_4 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 353 + NZ_GB1_4 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 352 + NZ_GB1_4 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 353 NZ_GB1_4 N_GB1_43 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.000617e-04 0.004395 0.001132 True md_ensemble 7 37 359 - NZ_GB1_4 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 362 + NZ_GB1_4 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 362 NZ_GB1_4 N_GB1_44 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 37 374 - NZ_GB1_4 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 377 - NZ_GB1_4 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 379 + NZ_GB1_4 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 377 + NZ_GB1_4 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 379 NZ_GB1_4 N_GB1_45 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 37 382 - NZ_GB1_4 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 385 + NZ_GB1_4 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 385 NZ_GB1_4 N_GB1_46 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.529884e-04 0.004395 0.001132 True md_ensemble 7 37 395 - NZ_GB1_4 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 398 + NZ_GB1_4 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 398 NZ_GB1_4 N_GB1_47 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 37 404 - NZ_GB1_4 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 407 + NZ_GB1_4 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 407 NZ_GB1_4 N_GB1_48 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 37 413 - NZ_GB1_4 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 416 + NZ_GB1_4 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 416 NZ_GB1_4 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.000256e-04 0.004395 0.001132 True md_ensemble 7 37 419 NZ_GB1_4 CA_GB1_49 1 2.941976e-03 1.667517e-05 ; 4.222521e-01 1.297621e-01 1.399726e-02 9.990196e-05 0.004395 0.008482 True md_ensemble 7 37 421 NZ_GB1_4 CB_GB1_49 1 2.853690e-03 1.173474e-05 ; 4.002621e-01 1.734922e-01 3.267098e-02 2.000360e-04 0.004395 0.001132 True md_ensemble 7 37 422 - NZ_GB1_4 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 424 + NZ_GB1_4 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 424 NZ_GB1_4 C_GB1_49 1 9.365592e-04 1.761177e-06 ; 3.513268e-01 1.245110e-01 1.264267e-02 9.911666e-05 0.004395 0.011584 True md_ensemble 7 37 425 NZ_GB1_4 O_GB1_49 1 1.107568e-04 2.218627e-08 ; 2.418906e-01 1.382283e-01 1.649342e-02 9.995434e-05 0.004395 0.011584 True md_ensemble 7 37 426 NZ_GB1_4 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.869400e-04 0.000000e+00 0.004395 0.001132 True md_ensemble 7 37 427 NZ_GB1_4 CA_GB1_50 1 2.826479e-03 1.853649e-05 ; 4.326436e-01 1.077468e-01 9.135205e-03 1.096888e-04 0.004395 0.008482 True md_ensemble 7 37 429 NZ_GB1_4 CB_GB1_50 1 1.074929e-03 3.011628e-06 ; 3.754657e-01 9.591755e-02 7.263405e-03 2.066104e-04 0.004395 0.001132 True md_ensemble 7 37 430 - NZ_GB1_4 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 431 - NZ_GB1_4 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 432 - NZ_GB1_4 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 433 + NZ_GB1_4 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 431 + NZ_GB1_4 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 432 + NZ_GB1_4 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 433 NZ_GB1_4 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 434 NZ_GB1_4 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 5.084225e-04 0.000000e+00 0.004395 0.001132 True md_ensemble 7 37 437 NZ_GB1_4 CA_GB1_51 1 2.419367e-03 1.315338e-05 ; 4.193300e-01 1.112516e-01 9.777365e-03 4.000916e-04 0.004395 0.008482 True md_ensemble 7 37 439 @@ -6360,125 +6360,125 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 NZ_GB1_4 OG1_GB1_51 1 2.858310e-04 9.024853e-08 ; 2.609487e-01 2.263178e-01 9.095912e-02 1.000421e-04 0.004395 0.011584 True md_ensemble 7 37 441 NZ_GB1_4 CG2_GB1_51 1 1.888277e-03 4.093836e-06 ; 3.597583e-01 2.177414e-01 7.702838e-02 4.999216e-04 0.004395 0.001132 True md_ensemble 7 37 442 NZ_GB1_4 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 37 445 - NZ_GB1_4 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 448 + NZ_GB1_4 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 448 NZ_GB1_4 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 37 457 - NZ_GB1_4 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 460 - NZ_GB1_4 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 462 + NZ_GB1_4 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 460 + NZ_GB1_4 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 462 NZ_GB1_4 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 37 465 - NZ_GB1_4 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 468 - NZ_GB1_4 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 469 - NZ_GB1_4 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 470 + NZ_GB1_4 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 468 + NZ_GB1_4 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 469 + NZ_GB1_4 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 470 NZ_GB1_4 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 37 473 - NZ_GB1_4 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 476 - NZ_GB1_4 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 478 + NZ_GB1_4 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 476 + NZ_GB1_4 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 478 NZ_GB1_4 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 37 481 - NZ_GB1_4 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 484 - NZ_GB1_4 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 485 - C_GB1_4 CB_GB1_5 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 43 - C_GB1_4 CG_GB1_5 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 38 44 - C_GB1_4 CD1_GB1_5 1 0.000000e+00 4.781482e-06 ; 3.209656e-01 -4.781482e-06 3.455282e-01 3.572432e-01 0.004395 0.001132 True md_ensemble 5 38 45 - C_GB1_4 CD2_GB1_5 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 46 - C_GB1_4 O_GB1_5 1 0.000000e+00 7.725501e-07 ; 2.757331e-01 -7.725501e-07 9.993170e-01 9.335413e-01 0.004395 0.001132 True md_ensemble 4 38 48 - C_GB1_4 N_GB1_6 1 0.000000e+00 1.482380e-06 ; 2.911220e-01 -1.482380e-06 9.999281e-01 9.828416e-01 0.004395 0.001132 True md_ensemble 4 38 49 - C_GB1_4 CA_GB1_6 1 0.000000e+00 1.362386e-05 ; 3.502300e-01 -1.362386e-05 8.346567e-01 8.784812e-01 0.004395 0.001132 True md_ensemble 5 38 51 - C_GB1_4 CB_GB1_6 1 0.000000e+00 1.744786e-05 ; 3.575253e-01 -1.744786e-05 3.051129e-02 3.673207e-01 0.004395 0.001132 True md_ensemble 6 38 52 - C_GB1_4 CG1_GB1_6 1 0.000000e+00 5.936571e-06 ; 3.268057e-01 -5.936571e-06 2.853083e-01 2.225688e-01 0.004395 0.001132 True md_ensemble 7 38 53 - C_GB1_4 CG2_GB1_6 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 54 - C_GB1_4 CD_GB1_6 1 0.000000e+00 4.853414e-06 ; 3.213653e-01 -4.853414e-06 1.661428e-02 4.354931e-02 0.004395 0.001132 True md_ensemble 7 38 55 + NZ_GB1_4 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 484 + NZ_GB1_4 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 37 485 + C_GB1_4 CB_GB1_5 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 43 + C_GB1_4 CG_GB1_5 1 0.000000e+00 1.305180e-05 ; 3.489803e-01 -1.305180e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 38 44 + C_GB1_4 CD1_GB1_5 1 0.000000e+00 4.781420e-06 ; 3.209653e-01 -4.781420e-06 3.455282e-01 3.572432e-01 0.004395 0.001132 True md_ensemble 5 38 45 + C_GB1_4 CD2_GB1_5 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 46 + C_GB1_4 O_GB1_5 1 0.000000e+00 7.725465e-07 ; 2.757330e-01 -7.725465e-07 9.993170e-01 9.335413e-01 0.004395 0.001132 True md_ensemble 4 38 48 + C_GB1_4 N_GB1_6 1 0.000000e+00 1.482359e-06 ; 2.911216e-01 -1.482359e-06 9.999281e-01 9.828416e-01 0.004395 0.001132 True md_ensemble 4 38 49 + C_GB1_4 CA_GB1_6 1 0.000000e+00 1.362379e-05 ; 3.502298e-01 -1.362379e-05 8.346567e-01 8.784812e-01 0.004395 0.001132 True md_ensemble 5 38 51 + C_GB1_4 CB_GB1_6 1 0.000000e+00 1.744777e-05 ; 3.575252e-01 -1.744777e-05 3.051129e-02 3.673207e-01 0.004395 0.001132 True md_ensemble 6 38 52 + C_GB1_4 CG1_GB1_6 1 0.000000e+00 5.936472e-06 ; 3.268053e-01 -5.936472e-06 2.853083e-01 2.225688e-01 0.004395 0.001132 True md_ensemble 7 38 53 + C_GB1_4 CG2_GB1_6 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 54 + C_GB1_4 CD_GB1_6 1 0.000000e+00 4.853350e-06 ; 3.213649e-01 -4.853350e-06 1.661428e-02 4.354931e-02 0.004395 0.001132 True md_ensemble 7 38 55 C_GB1_4 C_GB1_6 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 0.000000e+00 1.368566e-01 0.004395 0.001132 True md_ensemble 6 38 56 - C_GB1_4 CB_GB1_7 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 61 - C_GB1_4 CG_GB1_7 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 62 - C_GB1_4 CD1_GB1_7 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 63 - C_GB1_4 CD2_GB1_7 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 64 - C_GB1_4 CB_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 70 - C_GB1_4 CA_GB1_9 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 78 - C_GB1_4 CB_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 84 - C_GB1_4 CG_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 85 - C_GB1_4 CD_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 86 - C_GB1_4 CE_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 87 - C_GB1_4 CB_GB1_11 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 94 - C_GB1_4 CG2_GB1_11 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 96 - C_GB1_4 CB_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 102 - C_GB1_4 CG_GB1_12 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 103 - C_GB1_4 CD1_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 104 - C_GB1_4 CD2_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 105 - C_GB1_4 CB_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 111 - C_GB1_4 CG_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 112 - C_GB1_4 CD_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 113 - C_GB1_4 CE_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 114 - C_GB1_4 CA_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 120 - C_GB1_4 CB_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 126 - C_GB1_4 CG_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 127 + C_GB1_4 CB_GB1_7 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 61 + C_GB1_4 CG_GB1_7 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 62 + C_GB1_4 CD1_GB1_7 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 63 + C_GB1_4 CD2_GB1_7 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 64 + C_GB1_4 CB_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 70 + C_GB1_4 CA_GB1_9 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 78 + C_GB1_4 CB_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 84 + C_GB1_4 CG_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 85 + C_GB1_4 CD_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 86 + C_GB1_4 CE_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 87 + C_GB1_4 CB_GB1_11 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 94 + C_GB1_4 CG2_GB1_11 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 96 + C_GB1_4 CB_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 102 + C_GB1_4 CG_GB1_12 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 103 + C_GB1_4 CD1_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 104 + C_GB1_4 CD2_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 105 + C_GB1_4 CB_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 111 + C_GB1_4 CG_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 112 + C_GB1_4 CD_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 113 + C_GB1_4 CE_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 114 + C_GB1_4 CA_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 120 + C_GB1_4 CB_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 126 + C_GB1_4 CG_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 127 C_GB1_4 CA_GB1_16 1 1.107006e-02 1.727072e-04 ; 4.998735e-01 1.773901e-01 3.523501e-02 7.615369e-05 0.004395 0.008482 True md_ensemble 7 38 135 - C_GB1_4 CB_GB1_16 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 136 - C_GB1_4 CG2_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 138 + C_GB1_4 CB_GB1_16 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 136 + C_GB1_4 CG2_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 138 C_GB1_4 C_GB1_16 1 8.096039e-03 4.856665e-05 ; 4.262630e-01 3.374015e-01 7.833321e-01 0.000000e+00 0.004395 0.011584 True md_ensemble 7 38 139 C_GB1_4 O_GB1_16 1 1.544633e-03 1.704215e-06 ; 3.214523e-01 3.499984e-01 9.999685e-01 9.989639e-05 0.004395 0.011584 True md_ensemble 7 38 140 C_GB1_4 CA_GB1_17 1 1.277934e-02 1.167343e-04 ; 4.572092e-01 3.497507e-01 9.951800e-01 0.000000e+00 0.004395 0.008482 True md_ensemble 7 38 143 C_GB1_4 CB_GB1_17 1 1.422107e-02 2.014531e-04 ; 4.918964e-01 2.509751e-01 1.466936e-01 5.515499e-04 0.004395 0.001132 True md_ensemble 7 38 144 C_GB1_4 CG2_GB1_17 1 8.660296e-03 7.418483e-05 ; 4.523387e-01 2.527496e-01 1.518267e-01 5.343229e-04 0.004395 0.001132 True md_ensemble 7 38 146 - C_GB1_4 CB_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 152 - C_GB1_4 CG2_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 154 - C_GB1_4 CB_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 160 - C_GB1_4 CG_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 161 - C_GB1_4 CB_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 170 - C_GB1_4 CB_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 176 - C_GB1_4 CG1_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 177 - C_GB1_4 CG2_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 178 - C_GB1_4 CB_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 184 - C_GB1_4 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 193 - C_GB1_4 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 199 - C_GB1_4 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 205 - C_GB1_4 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 207 - C_GB1_4 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 213 - C_GB1_4 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 219 - C_GB1_4 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 220 - C_GB1_4 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 229 - C_GB1_4 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 230 - C_GB1_4 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 231 - C_GB1_4 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 232 - C_GB1_4 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 239 - C_GB1_4 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 240 - C_GB1_4 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 241 - C_GB1_4 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 247 + C_GB1_4 CB_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 152 + C_GB1_4 CG2_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 154 + C_GB1_4 CB_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 160 + C_GB1_4 CG_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 161 + C_GB1_4 CB_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 170 + C_GB1_4 CB_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 176 + C_GB1_4 CG1_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 177 + C_GB1_4 CG2_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 178 + C_GB1_4 CB_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 184 + C_GB1_4 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 193 + C_GB1_4 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 199 + C_GB1_4 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 205 + C_GB1_4 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 207 + C_GB1_4 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 213 + C_GB1_4 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 219 + C_GB1_4 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 220 + C_GB1_4 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 229 + C_GB1_4 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 230 + C_GB1_4 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 231 + C_GB1_4 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 232 + C_GB1_4 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 239 + C_GB1_4 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 240 + C_GB1_4 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 241 + C_GB1_4 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 247 C_GB1_4 CG_GB1_30 1 2.255154e-03 1.526758e-05 ; 4.349430e-01 8.327647e-02 5.684967e-03 9.984804e-05 0.004395 0.015243 True md_ensemble 7 38 248 C_GB1_4 CD1_GB1_30 1 6.075816e-03 2.753585e-05 ; 4.068013e-01 3.351589e-01 7.500112e-01 0.000000e+00 0.004395 0.015243 True md_ensemble 7 38 249 C_GB1_4 CD2_GB1_30 1 6.075816e-03 2.753585e-05 ; 4.068013e-01 3.351589e-01 7.500112e-01 0.000000e+00 0.004395 0.015243 True md_ensemble 7 38 250 C_GB1_4 CE1_GB1_30 1 1.649116e-03 1.943059e-06 ; 3.249918e-01 3.499102e-01 9.982613e-01 1.700371e-04 0.004395 0.015243 True md_ensemble 7 38 251 C_GB1_4 CE2_GB1_30 1 1.649116e-03 1.943059e-06 ; 3.249918e-01 3.499102e-01 9.982613e-01 1.700371e-04 0.004395 0.015243 True md_ensemble 7 38 252 C_GB1_4 CZ_GB1_30 1 1.782389e-03 2.269926e-06 ; 3.292316e-01 3.498914e-01 9.978973e-01 5.092926e-04 0.004395 0.015243 True md_ensemble 7 38 253 - C_GB1_4 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 259 - C_GB1_4 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 260 - C_GB1_4 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 261 - C_GB1_4 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 262 - C_GB1_4 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 269 - C_GB1_4 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 270 - C_GB1_4 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 279 - C_GB1_4 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 292 - C_GB1_4 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 298 - C_GB1_4 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 307 - C_GB1_4 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 316 - C_GB1_4 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 324 - C_GB1_4 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 330 - C_GB1_4 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 331 - C_GB1_4 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 332 - C_GB1_4 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 338 - C_GB1_4 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 346 - C_GB1_4 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 352 - C_GB1_4 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 353 - C_GB1_4 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 362 - C_GB1_4 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 377 - C_GB1_4 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 379 - C_GB1_4 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 385 - C_GB1_4 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 398 - C_GB1_4 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 407 - C_GB1_4 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 416 - C_GB1_4 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 422 - C_GB1_4 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 424 - C_GB1_4 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 430 - C_GB1_4 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 431 - C_GB1_4 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 432 - C_GB1_4 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 433 + C_GB1_4 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 259 + C_GB1_4 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 260 + C_GB1_4 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 261 + C_GB1_4 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 262 + C_GB1_4 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 269 + C_GB1_4 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 270 + C_GB1_4 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 279 + C_GB1_4 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 292 + C_GB1_4 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 298 + C_GB1_4 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 307 + C_GB1_4 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 316 + C_GB1_4 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 324 + C_GB1_4 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 330 + C_GB1_4 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 331 + C_GB1_4 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 332 + C_GB1_4 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 338 + C_GB1_4 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 346 + C_GB1_4 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 352 + C_GB1_4 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 353 + C_GB1_4 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 362 + C_GB1_4 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 377 + C_GB1_4 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 379 + C_GB1_4 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 385 + C_GB1_4 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 398 + C_GB1_4 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 407 + C_GB1_4 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 416 + C_GB1_4 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 422 + C_GB1_4 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 424 + C_GB1_4 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 430 + C_GB1_4 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 431 + C_GB1_4 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 432 + C_GB1_4 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 433 C_GB1_4 C_GB1_50 1 5.254237e-03 3.555982e-05 ; 4.349189e-01 1.940885e-01 4.870133e-02 0.000000e+00 0.004395 0.011584 True md_ensemble 7 38 435 C_GB1_4 O_GB1_50 1 3.589293e-03 9.791634e-06 ; 3.738015e-01 3.289294e-01 6.647035e-01 0.000000e+00 0.004395 0.011584 True md_ensemble 7 38 436 C_GB1_4 CA_GB1_51 1 4.554373e-03 1.481594e-05 ; 3.849315e-01 3.499999e-01 9.999971e-01 1.481395e-05 0.004395 0.008482 True md_ensemble 7 38 439 @@ -6494,28 +6494,28 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 C_GB1_4 CD2_GB1_52 1 5.823669e-03 2.521399e-05 ; 4.037143e-01 3.362728e-01 7.663812e-01 1.000089e-04 0.004395 0.015243 True md_ensemble 7 38 451 C_GB1_4 C_GB1_52 1 7.582835e-03 4.959622e-05 ; 4.324503e-01 2.898376e-01 3.115689e-01 0.000000e+00 0.004395 0.011584 True md_ensemble 7 38 455 C_GB1_4 O_GB1_52 1 3.757232e-03 1.056100e-05 ; 3.756697e-01 3.341726e-01 7.358099e-01 0.000000e+00 0.004395 0.011584 True md_ensemble 7 38 456 - C_GB1_4 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 460 - C_GB1_4 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 462 - C_GB1_4 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 468 - C_GB1_4 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 469 - C_GB1_4 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 470 - C_GB1_4 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 476 - C_GB1_4 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 478 - C_GB1_4 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 484 - C_GB1_4 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 485 + C_GB1_4 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 460 + C_GB1_4 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 462 + C_GB1_4 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 468 + C_GB1_4 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 469 + C_GB1_4 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 470 + C_GB1_4 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 476 + C_GB1_4 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 478 + C_GB1_4 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 484 + C_GB1_4 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 38 485 O_GB1_4 O_GB1_4 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 39 39 O_GB1_4 H_GB1_5 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 39 41 - O_GB1_4 CB_GB1_5 1 0.000000e+00 2.015606e-06 ; 2.986727e-01 -2.015606e-06 9.999948e-01 9.999699e-01 0.004395 0.001132 True md_ensemble 4 39 43 - O_GB1_4 CG_GB1_5 1 0.000000e+00 5.114098e-06 ; 3.227694e-01 -5.114098e-06 6.410824e-01 8.723583e-01 0.004395 0.001132 True md_ensemble 5 39 44 + O_GB1_4 CB_GB1_5 1 0.000000e+00 2.015599e-06 ; 2.986726e-01 -2.015599e-06 9.999948e-01 9.999699e-01 0.004395 0.001132 True md_ensemble 4 39 43 + O_GB1_4 CG_GB1_5 1 0.000000e+00 5.114138e-06 ; 3.227697e-01 -5.114138e-06 6.410824e-01 8.723583e-01 0.004395 0.001132 True md_ensemble 5 39 44 O_GB1_4 CD1_GB1_5 1 0.000000e+00 1.635652e-06 ; 2.935188e-01 -1.635652e-06 5.279530e-02 1.403362e-01 0.004395 0.001132 True md_ensemble 6 39 45 O_GB1_4 CD2_GB1_5 1 0.000000e+00 1.503992e-06 ; 2.914733e-01 -1.503992e-06 0.000000e+00 3.452682e-01 0.004395 0.001132 True md_ensemble 6 39 46 - O_GB1_4 C_GB1_5 1 0.000000e+00 8.249627e-07 ; 2.772455e-01 -8.249627e-07 1.000000e+00 9.976055e-01 0.004395 0.001132 True md_ensemble 4 39 47 + O_GB1_4 C_GB1_5 1 0.000000e+00 8.249589e-07 ; 2.772454e-01 -8.249589e-07 1.000000e+00 9.976055e-01 0.004395 0.001132 True md_ensemble 4 39 47 O_GB1_4 O_GB1_5 1 0.000000e+00 1.912665e-06 ; 2.973707e-01 -1.912665e-06 6.200044e-01 8.951145e-01 0.004395 0.001132 True md_ensemble 5 39 48 O_GB1_4 N_GB1_6 1 0.000000e+00 1.418799e-06 ; 2.900604e-01 -1.418799e-06 9.854580e-01 9.313237e-01 0.004395 0.001132 True md_ensemble 5 39 49 - O_GB1_4 H_GB1_6 1 0.000000e+00 1.779442e-08 ; 2.013811e-01 -1.779442e-08 5.936755e-03 1.527654e-01 0.004395 0.001132 True md_ensemble 6 39 50 - O_GB1_4 CA_GB1_6 1 0.000000e+00 6.535934e-06 ; 3.294357e-01 -6.535934e-06 3.602870e-02 6.096275e-01 0.004395 0.001132 True md_ensemble 6 39 51 - O_GB1_4 CB_GB1_6 1 0.000000e+00 5.192647e-06 ; 3.231797e-01 -5.192647e-06 4.409930e-03 2.545974e-01 0.004395 0.007862 True md_ensemble 7 39 52 - O_GB1_4 CG1_GB1_6 1 0.000000e+00 2.360907e-06 ; 3.026344e-01 -2.360907e-06 3.044760e-02 2.017323e-01 0.004395 0.007862 True md_ensemble 7 39 53 + O_GB1_4 H_GB1_6 1 0.000000e+00 1.779470e-08 ; 2.013813e-01 -1.779470e-08 5.936755e-03 1.527654e-01 0.004395 0.001132 True md_ensemble 6 39 50 + O_GB1_4 CA_GB1_6 1 0.000000e+00 6.535986e-06 ; 3.294359e-01 -6.535986e-06 3.602870e-02 6.096275e-01 0.004395 0.001132 True md_ensemble 6 39 51 + O_GB1_4 CB_GB1_6 1 0.000000e+00 5.192688e-06 ; 3.231799e-01 -5.192688e-06 4.409930e-03 2.545974e-01 0.004395 0.007862 True md_ensemble 7 39 52 + O_GB1_4 CG1_GB1_6 1 0.000000e+00 2.360899e-06 ; 3.026343e-01 -2.360899e-06 3.044760e-02 2.017323e-01 0.004395 0.007862 True md_ensemble 7 39 53 O_GB1_4 CG2_GB1_6 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 39 54 O_GB1_4 CD_GB1_6 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 39 55 O_GB1_4 O_GB1_6 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 39 57 @@ -6757,50 +6757,50 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 O_GB1_4 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 39 488 O_GB1_4 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 39 490 O_GB1_4 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 39 491 - N_GB1_5 CB_GB1_5 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 43 - N_GB1_5 CG_GB1_5 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 44 - N_GB1_5 CD1_GB1_5 1 0.000000e+00 2.737913e-06 ; 3.063938e-01 -2.737913e-06 9.989810e-01 9.971535e-01 0.004395 0.001132 True md_ensemble 4 40 45 - N_GB1_5 CD2_GB1_5 1 0.000000e+00 3.669177e-06 ; 3.139610e-01 -3.669177e-06 5.769032e-01 9.145904e-01 0.004395 0.001132 True md_ensemble 4 40 46 - N_GB1_5 CA_GB1_6 1 0.000000e+00 7.574648e-06 ; 3.335098e-01 -7.574648e-06 9.999983e-01 9.999525e-01 0.004395 0.001132 True md_ensemble 4 40 51 - N_GB1_5 CB_GB1_6 1 0.000000e+00 9.684948e-06 ; 3.404106e-01 -9.684948e-06 1.488819e-01 4.274238e-01 0.004395 0.001132 True md_ensemble 5 40 52 - N_GB1_5 CG1_GB1_6 1 0.000000e+00 3.426790e-06 ; 3.121780e-01 -3.426790e-06 2.772868e-01 2.094722e-01 0.004395 0.001132 True md_ensemble 6 40 53 - N_GB1_5 CG2_GB1_6 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 54 - N_GB1_5 CD_GB1_6 1 0.000000e+00 2.721064e-06 ; 3.062362e-01 -2.721064e-06 2.047373e-02 1.250329e-02 0.004395 0.001132 True md_ensemble 7 40 55 + N_GB1_5 CB_GB1_5 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 43 + N_GB1_5 CG_GB1_5 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 44 + N_GB1_5 CD1_GB1_5 1 0.000000e+00 2.737888e-06 ; 3.063936e-01 -2.737888e-06 9.989810e-01 9.971535e-01 0.004395 0.001132 True md_ensemble 4 40 45 + N_GB1_5 CD2_GB1_5 1 0.000000e+00 3.669143e-06 ; 3.139608e-01 -3.669143e-06 5.769032e-01 9.145904e-01 0.004395 0.001132 True md_ensemble 4 40 46 + N_GB1_5 CA_GB1_6 1 0.000000e+00 7.574636e-06 ; 3.335097e-01 -7.574636e-06 9.999983e-01 9.999525e-01 0.004395 0.001132 True md_ensemble 4 40 51 + N_GB1_5 CB_GB1_6 1 0.000000e+00 9.684933e-06 ; 3.404106e-01 -9.684933e-06 1.488819e-01 4.274238e-01 0.004395 0.001132 True md_ensemble 5 40 52 + N_GB1_5 CG1_GB1_6 1 0.000000e+00 3.426745e-06 ; 3.121777e-01 -3.426745e-06 2.772868e-01 2.094722e-01 0.004395 0.001132 True md_ensemble 6 40 53 + N_GB1_5 CG2_GB1_6 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 54 + N_GB1_5 CD_GB1_6 1 0.000000e+00 2.721038e-06 ; 3.062360e-01 -2.721038e-06 2.047373e-02 1.250329e-02 0.004395 0.001132 True md_ensemble 7 40 55 N_GB1_5 C_GB1_6 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 0.000000e+00 7.774503e-02 0.004395 0.001132 True md_ensemble 5 40 56 N_GB1_5 O_GB1_6 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 0.000000e+00 1.268197e-01 0.004395 0.001132 True md_ensemble 6 40 57 N_GB1_5 N_GB1_7 1 0.000000e+00 8.752940e-07 ; 2.786171e-01 -8.752940e-07 0.000000e+00 3.140862e-02 0.004395 0.001132 True md_ensemble 6 40 58 - N_GB1_5 CB_GB1_7 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 61 - N_GB1_5 CG_GB1_7 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 62 - N_GB1_5 CD1_GB1_7 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 63 - N_GB1_5 CD2_GB1_7 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 64 + N_GB1_5 CB_GB1_7 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 61 + N_GB1_5 CG_GB1_7 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 62 + N_GB1_5 CD1_GB1_7 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 63 + N_GB1_5 CD2_GB1_7 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 64 N_GB1_5 N_GB1_8 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 4.742367e-04 0.004395 0.001132 True md_ensemble 7 40 67 - N_GB1_5 CB_GB1_8 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 70 + N_GB1_5 CB_GB1_8 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 70 N_GB1_5 N_GB1_9 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 4.819616e-04 0.004395 0.001132 True md_ensemble 7 40 76 - N_GB1_5 CA_GB1_9 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 78 + N_GB1_5 CA_GB1_9 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 78 N_GB1_5 N_GB1_10 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 40 81 - N_GB1_5 CB_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 84 - N_GB1_5 CG_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 85 - N_GB1_5 CD_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 86 - N_GB1_5 CE_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 87 + N_GB1_5 CB_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 84 + N_GB1_5 CG_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 85 + N_GB1_5 CD_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 86 + N_GB1_5 CE_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 87 N_GB1_5 NZ_GB1_10 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 7.918538e-04 0.004395 0.001132 True md_ensemble 7 40 88 N_GB1_5 N_GB1_11 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 40 91 - N_GB1_5 CB_GB1_11 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 94 - N_GB1_5 CG2_GB1_11 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 96 + N_GB1_5 CB_GB1_11 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 94 + N_GB1_5 CG2_GB1_11 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 96 N_GB1_5 N_GB1_12 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 40 99 - N_GB1_5 CB_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 102 - N_GB1_5 CG_GB1_12 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 103 - N_GB1_5 CD1_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 104 - N_GB1_5 CD2_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 105 + N_GB1_5 CB_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 102 + N_GB1_5 CG_GB1_12 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 103 + N_GB1_5 CD1_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 104 + N_GB1_5 CD2_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 105 N_GB1_5 N_GB1_13 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 40 108 - N_GB1_5 CB_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 111 - N_GB1_5 CG_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 112 - N_GB1_5 CD_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 113 - N_GB1_5 CE_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 114 + N_GB1_5 CB_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 111 + N_GB1_5 CG_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 112 + N_GB1_5 CD_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 113 + N_GB1_5 CE_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 114 N_GB1_5 NZ_GB1_13 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 5.436510e-05 0.004395 0.001132 True md_ensemble 7 40 115 N_GB1_5 N_GB1_14 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 40 118 - N_GB1_5 CA_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 120 + N_GB1_5 CA_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 120 N_GB1_5 N_GB1_15 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 40 123 - N_GB1_5 CB_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 126 + N_GB1_5 CB_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 126 N_GB1_5 CG_GB1_15 1 3.270233e-03 2.262741e-05 ; 4.365252e-01 1.181579e-01 1.117786e-02 9.527416e-05 0.004395 0.001132 True md_ensemble 7 40 127 N_GB1_5 N_GB1_16 1 4.249877e-03 1.554581e-05 ; 3.925300e-01 2.904553e-01 3.153222e-01 0.000000e+00 0.004395 0.001132 True md_ensemble 7 40 133 N_GB1_5 CA_GB1_16 1 9.379705e-03 6.285096e-05 ; 4.341973e-01 3.499503e-01 9.990380e-01 0.000000e+00 0.004395 0.008482 True md_ensemble 7 40 135 @@ -6813,43 +6813,43 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 N_GB1_5 CB_GB1_17 1 7.833341e-03 8.398486e-05 ; 4.695794e-01 1.826556e-01 3.902109e-02 9.510539e-05 0.004395 0.001132 True md_ensemble 7 40 144 N_GB1_5 CG2_GB1_17 1 4.601363e-03 3.141401e-05 ; 4.355515e-01 1.684960e-01 2.965540e-02 4.101655e-04 0.004395 0.001132 True md_ensemble 7 40 146 N_GB1_5 N_GB1_18 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 40 149 - N_GB1_5 CB_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 152 - N_GB1_5 CG2_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 154 + N_GB1_5 CB_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 152 + N_GB1_5 CG2_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 154 N_GB1_5 N_GB1_19 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 40 157 - N_GB1_5 CB_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 160 - N_GB1_5 CG_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 161 + N_GB1_5 CB_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 160 + N_GB1_5 CG_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 161 N_GB1_5 N_GB1_20 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 40 167 - N_GB1_5 CB_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 170 + N_GB1_5 CB_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 170 N_GB1_5 N_GB1_21 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 40 173 - N_GB1_5 CB_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 176 - N_GB1_5 CG1_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 177 - N_GB1_5 CG2_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 178 + N_GB1_5 CB_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 176 + N_GB1_5 CG1_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 177 + N_GB1_5 CG2_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 178 N_GB1_5 N_GB1_22 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 40 181 - N_GB1_5 CB_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 184 + N_GB1_5 CB_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 184 N_GB1_5 N_GB1_23 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 40 190 - N_GB1_5 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 193 + N_GB1_5 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 193 N_GB1_5 N_GB1_24 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 40 196 - N_GB1_5 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 199 + N_GB1_5 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 199 N_GB1_5 N_GB1_25 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 40 202 - N_GB1_5 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 205 - N_GB1_5 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 207 + N_GB1_5 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 205 + N_GB1_5 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 207 N_GB1_5 N_GB1_26 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 40 210 - N_GB1_5 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 213 + N_GB1_5 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 213 N_GB1_5 N_GB1_27 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 40 216 - N_GB1_5 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 219 - N_GB1_5 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 220 + N_GB1_5 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 219 + N_GB1_5 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 220 N_GB1_5 N_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 40 226 - N_GB1_5 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 229 - N_GB1_5 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 230 - N_GB1_5 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 231 - N_GB1_5 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 232 + N_GB1_5 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 229 + N_GB1_5 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 230 + N_GB1_5 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 231 + N_GB1_5 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 232 N_GB1_5 NZ_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 40 233 N_GB1_5 N_GB1_29 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 40 236 - N_GB1_5 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 239 - N_GB1_5 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 240 - N_GB1_5 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 241 + N_GB1_5 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 239 + N_GB1_5 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 240 + N_GB1_5 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 241 N_GB1_5 N_GB1_30 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 40 244 - N_GB1_5 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 247 + N_GB1_5 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 247 N_GB1_5 CG_GB1_30 1 4.034337e-03 1.919216e-05 ; 4.101021e-01 2.120120e-01 6.893196e-02 0.000000e+00 0.004395 0.015244 True md_ensemble 7 40 248 N_GB1_5 CD1_GB1_30 1 4.526412e-03 1.570759e-05 ; 3.890982e-01 3.260908e-01 6.291194e-01 0.000000e+00 0.004395 0.015244 True md_ensemble 7 40 249 N_GB1_5 CD2_GB1_30 1 4.526412e-03 1.570759e-05 ; 3.890982e-01 3.260908e-01 6.291194e-01 0.000000e+00 0.004395 0.015244 True md_ensemble 7 40 250 @@ -6857,58 +6857,58 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 N_GB1_5 CE2_GB1_30 1 1.718557e-03 2.113578e-06 ; 3.273224e-01 3.493408e-01 9.873032e-01 2.666800e-05 0.004395 0.015244 True md_ensemble 7 40 252 N_GB1_5 CZ_GB1_30 1 1.316982e-03 1.239275e-06 ; 3.130386e-01 3.498905e-01 9.978807e-01 9.869078e-05 0.004395 0.015244 True md_ensemble 7 40 253 N_GB1_5 N_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 40 256 - N_GB1_5 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 259 - N_GB1_5 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 260 - N_GB1_5 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 261 - N_GB1_5 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 262 + N_GB1_5 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 259 + N_GB1_5 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 260 + N_GB1_5 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 261 + N_GB1_5 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 262 N_GB1_5 NZ_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 9.256401e-05 0.004395 0.001132 True md_ensemble 7 40 263 N_GB1_5 N_GB1_32 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 40 266 - N_GB1_5 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 269 - N_GB1_5 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 270 + N_GB1_5 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 269 + N_GB1_5 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 270 N_GB1_5 N_GB1_33 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 40 276 - N_GB1_5 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 279 + N_GB1_5 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 279 N_GB1_5 N_GB1_34 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 40 289 - N_GB1_5 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 292 + N_GB1_5 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 292 N_GB1_5 N_GB1_35 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 40 295 - N_GB1_5 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 298 + N_GB1_5 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 298 N_GB1_5 N_GB1_36 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 40 304 - N_GB1_5 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 307 + N_GB1_5 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 307 N_GB1_5 N_GB1_37 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 40 313 - N_GB1_5 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 316 + N_GB1_5 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 316 N_GB1_5 N_GB1_38 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 40 322 - N_GB1_5 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 324 + N_GB1_5 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 324 N_GB1_5 N_GB1_39 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 40 327 - N_GB1_5 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 330 - N_GB1_5 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 331 - N_GB1_5 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 332 + N_GB1_5 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 330 + N_GB1_5 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 331 + N_GB1_5 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 332 N_GB1_5 N_GB1_40 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 40 335 - N_GB1_5 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 338 + N_GB1_5 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 338 N_GB1_5 N_GB1_41 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 40 344 - N_GB1_5 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 346 + N_GB1_5 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 346 N_GB1_5 N_GB1_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 40 349 - N_GB1_5 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 352 - N_GB1_5 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 353 + N_GB1_5 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 352 + N_GB1_5 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 353 N_GB1_5 N_GB1_43 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 40 359 - N_GB1_5 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 362 + N_GB1_5 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 362 N_GB1_5 N_GB1_44 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 40 374 - N_GB1_5 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 377 - N_GB1_5 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 379 + N_GB1_5 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 377 + N_GB1_5 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 379 N_GB1_5 N_GB1_45 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 40 382 - N_GB1_5 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 385 + N_GB1_5 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 385 N_GB1_5 N_GB1_46 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 40 395 - N_GB1_5 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 398 + N_GB1_5 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 398 N_GB1_5 N_GB1_47 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 40 404 - N_GB1_5 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 407 + N_GB1_5 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 407 N_GB1_5 N_GB1_48 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 40 413 - N_GB1_5 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 416 + N_GB1_5 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 416 N_GB1_5 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 40 419 - N_GB1_5 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 422 - N_GB1_5 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 424 + N_GB1_5 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 422 + N_GB1_5 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 424 N_GB1_5 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 40 427 - N_GB1_5 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 430 - N_GB1_5 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 431 - N_GB1_5 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 432 - N_GB1_5 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 433 + N_GB1_5 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 430 + N_GB1_5 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 431 + N_GB1_5 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 432 + N_GB1_5 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 433 N_GB1_5 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.000044e-04 0.004395 0.001132 True md_ensemble 7 40 434 N_GB1_5 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 40 437 N_GB1_5 CA_GB1_51 1 1.264689e-02 1.355854e-04 ; 4.695749e-01 2.949133e-01 3.437808e-01 0.000000e+00 0.004395 0.008482 True md_ensemble 7 40 439 @@ -6921,20 +6921,20 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 N_GB1_5 CD2_GB1_52 1 2.537570e-03 1.214208e-05 ; 4.104994e-01 1.325815e-01 1.478347e-02 0.000000e+00 0.004395 0.015244 True md_ensemble 7 40 451 N_GB1_5 O_GB1_52 1 4.121118e-03 1.217248e-05 ; 3.787861e-01 3.488117e-01 9.772294e-01 0.000000e+00 0.004395 0.011584 True md_ensemble 7 40 456 N_GB1_5 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 40 457 - N_GB1_5 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 460 - N_GB1_5 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 462 + N_GB1_5 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 460 + N_GB1_5 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 462 N_GB1_5 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 40 465 - N_GB1_5 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 468 - N_GB1_5 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 469 - N_GB1_5 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 470 + N_GB1_5 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 468 + N_GB1_5 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 469 + N_GB1_5 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 470 N_GB1_5 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 40 473 - N_GB1_5 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 476 - N_GB1_5 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 478 + N_GB1_5 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 476 + N_GB1_5 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 478 N_GB1_5 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 40 481 - N_GB1_5 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 484 - N_GB1_5 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 485 + N_GB1_5 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 484 + N_GB1_5 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 40 485 H_GB1_5 H_GB1_5 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 41 41 - H_GB1_5 O_GB1_5 1 0.000000e+00 6.413466e-09 ; 1.849635e-01 -6.413466e-09 9.967336e-01 4.100736e-01 0.004395 0.001132 True md_ensemble 4 41 48 + H_GB1_5 O_GB1_5 1 0.000000e+00 6.413567e-09 ; 1.849638e-01 -6.413567e-09 9.967336e-01 4.100736e-01 0.004395 0.001132 True md_ensemble 4 41 48 H_GB1_5 H_GB1_6 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 41 50 H_GB1_5 O_GB1_6 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 41 57 H_GB1_5 H_GB1_7 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 41 59 @@ -7074,15 +7074,15 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 H_GB1_5 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 41 488 H_GB1_5 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 41 490 H_GB1_5 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 41 491 - CA_GB1_5 CB_GB1_6 1 0.000000e+00 6.555552e-05 ; 3.992201e-01 -6.555552e-05 1.000000e+00 9.999966e-01 0.004395 0.001132 True md_ensemble 4 42 52 - CA_GB1_5 CG1_GB1_6 1 0.000000e+00 2.902653e-05 ; 3.730164e-01 -2.902653e-05 9.884098e-01 9.008019e-01 0.004395 0.001132 True md_ensemble 5 42 53 - CA_GB1_5 CG2_GB1_6 1 0.000000e+00 3.627372e-05 ; 3.800094e-01 -3.627372e-05 4.400422e-02 5.720965e-01 0.004395 0.001132 True md_ensemble 5 42 54 - CA_GB1_5 CD_GB1_6 1 0.000000e+00 2.170397e-05 ; 3.640882e-01 -2.170397e-05 3.480953e-01 2.624121e-01 0.004395 0.001132 True md_ensemble 6 42 55 - CA_GB1_5 C_GB1_6 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 1.000000e+00 9.999994e-01 0.004395 0.001132 True md_ensemble 4 42 56 - CA_GB1_5 O_GB1_6 1 0.000000e+00 2.668995e-06 ; 3.057436e-01 -2.668995e-06 9.349389e-01 5.775290e-01 0.004395 0.001132 True md_ensemble 5 42 57 - CA_GB1_5 N_GB1_7 1 0.000000e+00 5.733392e-06 ; 3.258587e-01 -5.733392e-06 8.016013e-01 5.584853e-01 0.004395 0.001132 True md_ensemble 5 42 58 - CA_GB1_5 CA_GB1_7 1 0.000000e+00 5.087867e-05 ; 3.908766e-01 -5.087867e-05 7.743064e-01 5.504195e-01 0.004395 0.001132 True md_ensemble 6 42 60 - CA_GB1_5 CB_GB1_7 1 0.000000e+00 3.432725e-05 ; 3.782668e-01 -3.432725e-05 1.030820e-01 1.820921e-01 0.004395 0.007117 True md_ensemble 7 42 61 + CA_GB1_5 CB_GB1_6 1 0.000000e+00 6.555600e-05 ; 3.992204e-01 -6.555600e-05 1.000000e+00 9.999966e-01 0.004395 0.001132 True md_ensemble 4 42 52 + CA_GB1_5 CG1_GB1_6 1 0.000000e+00 2.902640e-05 ; 3.730163e-01 -2.902640e-05 9.884098e-01 9.008019e-01 0.004395 0.001132 True md_ensemble 5 42 53 + CA_GB1_5 CG2_GB1_6 1 0.000000e+00 3.627370e-05 ; 3.800094e-01 -3.627370e-05 4.400422e-02 5.720965e-01 0.004395 0.001132 True md_ensemble 5 42 54 + CA_GB1_5 CD_GB1_6 1 0.000000e+00 2.170396e-05 ; 3.640882e-01 -2.170396e-05 3.480953e-01 2.624121e-01 0.004395 0.001132 True md_ensemble 6 42 55 + CA_GB1_5 C_GB1_6 1 0.000000e+00 1.305179e-05 ; 3.489802e-01 -1.305179e-05 1.000000e+00 9.999994e-01 0.004395 0.001132 True md_ensemble 4 42 56 + CA_GB1_5 O_GB1_6 1 0.000000e+00 2.669016e-06 ; 3.057438e-01 -2.669016e-06 9.349389e-01 5.775290e-01 0.004395 0.001132 True md_ensemble 5 42 57 + CA_GB1_5 N_GB1_7 1 0.000000e+00 5.733383e-06 ; 3.258586e-01 -5.733383e-06 8.016013e-01 5.584853e-01 0.004395 0.001132 True md_ensemble 5 42 58 + CA_GB1_5 CA_GB1_7 1 0.000000e+00 5.087904e-05 ; 3.908768e-01 -5.087904e-05 7.743064e-01 5.504195e-01 0.004395 0.001132 True md_ensemble 6 42 60 + CA_GB1_5 CB_GB1_7 1 0.000000e+00 3.432711e-05 ; 3.782667e-01 -3.432711e-05 1.030820e-01 1.820921e-01 0.004395 0.007117 True md_ensemble 7 42 61 CA_GB1_5 CG_GB1_7 1 1.237377e-02 2.808612e-04 ; 5.321062e-01 1.362863e-01 6.836266e-01 2.787255e-01 0.004395 0.006476 True md_ensemble 7 42 62 CA_GB1_5 CD1_GB1_7 1 7.529634e-03 8.564408e-05 ; 4.742281e-01 1.654971e-01 1.547350e-01 5.949588e-02 0.004395 0.010759 True md_ensemble 7 42 63 CA_GB1_5 CD2_GB1_7 1 9.484953e-03 1.753768e-04 ; 5.142285e-01 1.282444e-01 1.007463e-01 7.974807e-02 0.004395 0.010759 True md_ensemble 7 42 64 @@ -7124,56 +7124,56 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CA_GB1_5 CB_GB1_53 1 1.815757e-02 6.157282e-04 ; 5.689252e-01 1.338649e-01 1.515583e-02 0.000000e+00 0.004395 0.006476 True md_ensemble 7 42 460 CA_GB1_5 CB_GB1_54 1 1.201537e-02 4.074598e-04 ; 5.689288e-01 8.857877e-02 6.300320e-03 2.573109e-04 0.004395 0.006476 True md_ensemble 7 42 468 CA_GB1_5 CG2_GB1_54 1 1.553105e-02 3.062251e-04 ; 5.197646e-01 1.969249e-01 5.145386e-02 3.999931e-04 0.004395 0.010759 True md_ensemble 7 42 470 - CB_GB1_5 C_GB1_5 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 47 + CB_GB1_5 C_GB1_5 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 47 CB_GB1_5 O_GB1_5 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 48 - CB_GB1_5 N_GB1_6 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 49 - CB_GB1_5 CA_GB1_6 1 0.000000e+00 3.181335e-05 ; 3.758770e-01 -3.181335e-05 9.999947e-01 9.999853e-01 0.004395 0.001132 True md_ensemble 4 43 51 - CB_GB1_5 CB_GB1_6 1 0.000000e+00 3.107719e-05 ; 3.751444e-01 -3.107719e-05 9.416867e-01 9.185374e-01 0.004395 0.001132 True md_ensemble 5 43 52 - CB_GB1_5 CG1_GB1_6 1 0.000000e+00 2.072131e-05 ; 3.626851e-01 -2.072131e-05 1.129981e-02 3.534492e-01 0.004395 0.001132 True md_ensemble 6 43 53 + CB_GB1_5 N_GB1_6 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 49 + CB_GB1_5 CA_GB1_6 1 0.000000e+00 3.181322e-05 ; 3.758769e-01 -3.181322e-05 9.999947e-01 9.999853e-01 0.004395 0.001132 True md_ensemble 4 43 51 + CB_GB1_5 CB_GB1_6 1 0.000000e+00 3.107706e-05 ; 3.751443e-01 -3.107706e-05 9.416867e-01 9.185374e-01 0.004395 0.001132 True md_ensemble 5 43 52 + CB_GB1_5 CG1_GB1_6 1 0.000000e+00 2.072098e-05 ; 3.626847e-01 -2.072098e-05 1.129981e-02 3.534492e-01 0.004395 0.001132 True md_ensemble 6 43 53 CB_GB1_5 CG2_GB1_6 1 0.000000e+00 1.151981e-05 ; 3.453680e-01 -1.151981e-05 3.521000e-05 1.471926e-01 0.004395 0.001132 True md_ensemble 6 43 54 - CB_GB1_5 C_GB1_6 1 0.000000e+00 3.468382e-06 ; 3.124920e-01 -3.468382e-06 9.862232e-01 5.338082e-01 0.004395 0.001132 True md_ensemble 5 43 56 - CB_GB1_5 O_GB1_6 1 0.000000e+00 2.247949e-06 ; 3.014004e-01 -2.247949e-06 7.972833e-02 1.949728e-01 0.004395 0.001132 True md_ensemble 6 43 57 - CB_GB1_5 N_GB1_7 1 0.000000e+00 4.027859e-06 ; 3.164107e-01 -4.027859e-06 1.149386e-01 2.106322e-01 0.004395 0.001132 True md_ensemble 6 43 58 + CB_GB1_5 C_GB1_6 1 0.000000e+00 3.468324e-06 ; 3.124916e-01 -3.468324e-06 9.862232e-01 5.338082e-01 0.004395 0.001132 True md_ensemble 5 43 56 + CB_GB1_5 O_GB1_6 1 0.000000e+00 2.247941e-06 ; 3.014003e-01 -2.247941e-06 7.972833e-02 1.949728e-01 0.004395 0.001132 True md_ensemble 6 43 57 + CB_GB1_5 N_GB1_7 1 0.000000e+00 4.027806e-06 ; 3.164104e-01 -4.027806e-06 1.149386e-01 2.106322e-01 0.004395 0.001132 True md_ensemble 6 43 58 CB_GB1_5 CA_GB1_7 1 8.847550e-03 1.743123e-04 ; 5.196977e-01 1.122685e-01 3.340902e-01 2.384239e-01 0.004395 0.007117 True md_ensemble 7 43 60 CB_GB1_5 CB_GB1_7 1 5.774172e-03 7.506989e-05 ; 4.849117e-01 1.110334e-01 1.702026e-01 1.374074e-01 0.004395 0.007860 True md_ensemble 7 43 61 CB_GB1_5 CG_GB1_7 1 7.704473e-03 8.769203e-05 ; 4.742815e-01 1.692255e-01 7.353490e-01 1.739872e-01 0.004395 0.007117 True md_ensemble 7 43 62 CB_GB1_5 CD1_GB1_7 1 4.113316e-03 2.307250e-05 ; 4.215189e-01 1.833283e-01 2.246573e-01 6.905222e-02 0.004395 0.012151 True md_ensemble 7 43 63 CB_GB1_5 CD2_GB1_7 1 9.096153e-03 9.816189e-05 ; 4.700898e-01 2.107233e-01 3.664201e-01 6.622563e-02 0.004395 0.012151 True md_ensemble 7 43 64 - CB_GB1_5 C_GB1_7 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 65 + CB_GB1_5 C_GB1_7 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 65 CB_GB1_5 O_GB1_7 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.546624e-02 0.004395 0.007862 True md_ensemble 7 43 66 - CB_GB1_5 N_GB1_8 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 67 - CB_GB1_5 CG_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 71 + CB_GB1_5 N_GB1_8 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 67 + CB_GB1_5 CG_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 71 CB_GB1_5 OD1_GB1_8 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.226961e-02 0.004395 0.007862 True md_ensemble 7 43 72 - CB_GB1_5 ND2_GB1_8 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 73 - CB_GB1_5 C_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 74 + CB_GB1_5 ND2_GB1_8 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 73 + CB_GB1_5 C_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 74 CB_GB1_5 O_GB1_8 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.173437e-02 0.004395 0.007862 True md_ensemble 7 43 75 - CB_GB1_5 N_GB1_9 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 76 - CB_GB1_5 C_GB1_9 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 79 + CB_GB1_5 N_GB1_9 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 76 + CB_GB1_5 C_GB1_9 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 79 CB_GB1_5 O_GB1_9 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.760009e-03 0.004395 0.007862 True md_ensemble 7 43 80 - CB_GB1_5 N_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 81 - CB_GB1_5 NZ_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 88 - CB_GB1_5 C_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 89 + CB_GB1_5 N_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 81 + CB_GB1_5 NZ_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 88 + CB_GB1_5 C_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 89 CB_GB1_5 O_GB1_10 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.598596e-04 0.004395 0.007862 True md_ensemble 7 43 90 - CB_GB1_5 N_GB1_11 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 91 - CB_GB1_5 OG1_GB1_11 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 95 - CB_GB1_5 C_GB1_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 97 + CB_GB1_5 N_GB1_11 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 91 + CB_GB1_5 OG1_GB1_11 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 95 + CB_GB1_5 C_GB1_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 97 CB_GB1_5 O_GB1_11 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 43 98 - CB_GB1_5 N_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 99 - CB_GB1_5 C_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 106 + CB_GB1_5 N_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 99 + CB_GB1_5 C_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 106 CB_GB1_5 O_GB1_12 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.038590e-04 0.004395 0.007862 True md_ensemble 7 43 107 - CB_GB1_5 N_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 108 - CB_GB1_5 NZ_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 115 - CB_GB1_5 C_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 116 + CB_GB1_5 N_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 108 + CB_GB1_5 NZ_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 115 + CB_GB1_5 C_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 116 CB_GB1_5 O_GB1_13 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.538355e-04 0.004395 0.007862 True md_ensemble 7 43 117 - CB_GB1_5 N_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 118 - CB_GB1_5 C_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 121 + CB_GB1_5 N_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 118 + CB_GB1_5 C_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 121 CB_GB1_5 O_GB1_14 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 6.946650e-04 4.326188e-04 0.004395 0.007862 True md_ensemble 7 43 122 - CB_GB1_5 N_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 123 + CB_GB1_5 N_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 123 CB_GB1_5 CA_GB1_15 1 2.261707e-02 3.834462e-04 ; 5.068483e-01 3.335096e-01 7.264139e-01 3.055577e-04 0.004395 0.007117 True md_ensemble 7 43 125 CB_GB1_5 CB_GB1_15 1 5.025502e-03 7.912644e-05 ; 5.006379e-01 7.979530e-02 5.314025e-03 2.219545e-04 0.004395 0.007860 True md_ensemble 7 43 126 - CB_GB1_5 CD_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 128 - CB_GB1_5 OE1_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 129 - CB_GB1_5 OE2_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 130 + CB_GB1_5 CD_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 128 + CB_GB1_5 OE1_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 129 + CB_GB1_5 OE2_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 130 CB_GB1_5 C_GB1_15 1 8.397830e-03 7.738960e-05 ; 4.578810e-01 2.278199e-01 9.364631e-02 1.000432e-04 0.004395 0.001132 True md_ensemble 7 43 131 CB_GB1_5 O_GB1_15 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.905174e-04 0.004395 0.007862 True md_ensemble 7 43 132 CB_GB1_5 N_GB1_16 1 5.953870e-03 2.559496e-05 ; 4.032359e-01 3.462455e-01 9.298113e-01 0.000000e+00 0.004395 0.001132 True md_ensemble 7 43 133 @@ -7185,58 +7185,58 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CB_GB1_5 O_GB1_16 1 1.512076e-03 1.633180e-06 ; 3.203146e-01 3.499879e-01 9.997662e-01 2.131677e-04 0.004395 0.007862 True md_ensemble 7 43 140 CB_GB1_5 N_GB1_17 1 4.315676e-03 3.261877e-05 ; 4.429994e-01 1.427480e-01 1.800354e-02 0.000000e+00 0.004395 0.001132 True md_ensemble 7 43 141 CB_GB1_5 CA_GB1_17 1 2.548169e-02 5.085340e-04 ; 5.208132e-01 3.192101e-01 5.505686e-01 9.257801e-05 0.004395 0.007117 True md_ensemble 7 43 143 - CB_GB1_5 OG1_GB1_17 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 145 - CB_GB1_5 C_GB1_17 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 147 + CB_GB1_5 OG1_GB1_17 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 145 + CB_GB1_5 C_GB1_17 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 147 CB_GB1_5 O_GB1_17 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.167299e-05 0.004395 0.007862 True md_ensemble 7 43 148 - CB_GB1_5 N_GB1_18 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 149 - CB_GB1_5 OG1_GB1_18 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 153 - CB_GB1_5 C_GB1_18 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 155 + CB_GB1_5 N_GB1_18 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 149 + CB_GB1_5 OG1_GB1_18 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 153 + CB_GB1_5 C_GB1_18 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 155 CB_GB1_5 O_GB1_18 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.980903e-05 0.004395 0.007862 True md_ensemble 7 43 156 - CB_GB1_5 N_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 157 - CB_GB1_5 CD_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 162 - CB_GB1_5 OE1_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 163 - CB_GB1_5 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 164 - CB_GB1_5 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 165 + CB_GB1_5 N_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 157 + CB_GB1_5 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 162 + CB_GB1_5 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 163 + CB_GB1_5 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 164 + CB_GB1_5 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 165 CB_GB1_5 O_GB1_19 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 43 166 - CB_GB1_5 N_GB1_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 167 - CB_GB1_5 C_GB1_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 171 + CB_GB1_5 N_GB1_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 167 + CB_GB1_5 C_GB1_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 171 CB_GB1_5 O_GB1_20 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.459945e-04 0.004395 0.007862 True md_ensemble 7 43 172 - CB_GB1_5 N_GB1_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 173 - CB_GB1_5 C_GB1_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 179 + CB_GB1_5 N_GB1_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 173 + CB_GB1_5 C_GB1_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 179 CB_GB1_5 O_GB1_21 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 43 180 - CB_GB1_5 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 181 - CB_GB1_5 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 185 - CB_GB1_5 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 186 - CB_GB1_5 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 187 - CB_GB1_5 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 188 + CB_GB1_5 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 181 + CB_GB1_5 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 185 + CB_GB1_5 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 186 + CB_GB1_5 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 187 + CB_GB1_5 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 188 CB_GB1_5 O_GB1_22 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.616090e-04 0.004395 0.007862 True md_ensemble 7 43 189 - CB_GB1_5 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 190 - CB_GB1_5 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 194 + CB_GB1_5 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 190 + CB_GB1_5 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 194 CB_GB1_5 O_GB1_23 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.987522e-04 0.004395 0.007862 True md_ensemble 7 43 195 - CB_GB1_5 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 196 - CB_GB1_5 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 200 + CB_GB1_5 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 196 + CB_GB1_5 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 200 CB_GB1_5 O_GB1_24 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.063258e-05 0.004395 0.007862 True md_ensemble 7 43 201 - CB_GB1_5 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 202 - CB_GB1_5 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 206 - CB_GB1_5 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 208 + CB_GB1_5 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 202 + CB_GB1_5 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 206 + CB_GB1_5 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 208 CB_GB1_5 O_GB1_25 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 43 209 - CB_GB1_5 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 210 - CB_GB1_5 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 214 + CB_GB1_5 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 210 + CB_GB1_5 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 214 CB_GB1_5 O_GB1_26 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.000070e-04 0.004395 0.007862 True md_ensemble 7 43 215 - CB_GB1_5 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 216 - CB_GB1_5 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 221 - CB_GB1_5 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 222 - CB_GB1_5 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 223 - CB_GB1_5 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 224 + CB_GB1_5 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 216 + CB_GB1_5 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 221 + CB_GB1_5 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 222 + CB_GB1_5 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 223 + CB_GB1_5 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 224 CB_GB1_5 O_GB1_27 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 43 225 - CB_GB1_5 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 226 - CB_GB1_5 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 233 - CB_GB1_5 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 234 + CB_GB1_5 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 226 + CB_GB1_5 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 233 + CB_GB1_5 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 234 CB_GB1_5 O_GB1_28 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 43 235 - CB_GB1_5 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 236 - CB_GB1_5 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 242 + CB_GB1_5 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 236 + CB_GB1_5 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 242 CB_GB1_5 O_GB1_29 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.338338e-04 0.004395 0.007862 True md_ensemble 7 43 243 - CB_GB1_5 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 244 + CB_GB1_5 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 244 CB_GB1_5 CA_GB1_30 1 1.785305e-02 2.286643e-04 ; 4.837054e-01 3.484710e-01 9.707979e-01 2.253151e-04 0.004395 0.007117 True md_ensemble 7 43 246 CB_GB1_5 CB_GB1_30 1 5.218870e-03 1.945561e-05 ; 3.937719e-01 3.499841e-01 9.996911e-01 9.984790e-05 0.004395 0.007860 True md_ensemble 7 43 247 CB_GB1_5 CG_GB1_30 1 2.051096e-03 3.005134e-06 ; 3.370127e-01 3.499840e-01 9.996907e-01 1.000562e-04 0.004395 0.012152 True md_ensemble 7 43 248 @@ -7245,109 +7245,109 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CB_GB1_5 CE1_GB1_30 1 1.636935e-03 1.914128e-06 ; 3.245811e-01 3.499708e-01 9.994348e-01 5.555705e-04 0.004395 0.012152 True md_ensemble 7 43 251 CB_GB1_5 CE2_GB1_30 1 1.636935e-03 1.914128e-06 ; 3.245811e-01 3.499708e-01 9.994348e-01 5.555705e-04 0.004395 0.012152 True md_ensemble 7 43 252 CB_GB1_5 CZ_GB1_30 1 1.947019e-03 2.708070e-06 ; 3.341039e-01 3.499618e-01 9.992602e-01 3.317705e-04 0.004395 0.012152 True md_ensemble 7 43 253 - CB_GB1_5 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 254 + CB_GB1_5 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 254 CB_GB1_5 O_GB1_30 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 8.835000e-06 0.000000e+00 0.004395 0.007862 True md_ensemble 7 43 255 - CB_GB1_5 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 256 - CB_GB1_5 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 263 - CB_GB1_5 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 264 + CB_GB1_5 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 256 + CB_GB1_5 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 263 + CB_GB1_5 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 264 CB_GB1_5 O_GB1_31 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000619e-04 0.004395 0.007862 True md_ensemble 7 43 265 - CB_GB1_5 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 266 - CB_GB1_5 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 271 + CB_GB1_5 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 266 + CB_GB1_5 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 271 CB_GB1_5 OE1_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.116594e-06 0.004395 0.007862 True md_ensemble 7 43 272 - CB_GB1_5 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 273 - CB_GB1_5 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 274 + CB_GB1_5 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 273 + CB_GB1_5 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 274 CB_GB1_5 O_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.986387e-04 0.004395 0.007862 True md_ensemble 7 43 275 - CB_GB1_5 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 276 + CB_GB1_5 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 276 CB_GB1_5 CB_GB1_33 1 4.902974e-03 7.884034e-05 ; 5.023983e-01 7.622734e-02 4.958937e-03 3.287167e-04 0.004395 0.007860 True md_ensemble 7 43 279 CB_GB1_5 CD1_GB1_33 1 5.699029e-03 5.633664e-05 ; 4.632673e-01 1.441288e-01 1.849190e-02 3.059030e-04 0.004395 0.012152 True md_ensemble 7 43 281 CB_GB1_5 CD2_GB1_33 1 5.699029e-03 5.633664e-05 ; 4.632673e-01 1.441288e-01 1.849190e-02 3.059030e-04 0.004395 0.012152 True md_ensemble 7 43 282 - CB_GB1_5 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 286 - CB_GB1_5 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 287 + CB_GB1_5 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 286 + CB_GB1_5 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 287 CB_GB1_5 O_GB1_33 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.731741e-07 0.004395 0.007862 True md_ensemble 7 43 288 - CB_GB1_5 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 289 - CB_GB1_5 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 293 + CB_GB1_5 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 289 + CB_GB1_5 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 293 CB_GB1_5 O_GB1_34 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000583e-04 0.004395 0.007862 True md_ensemble 7 43 294 - CB_GB1_5 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 295 - CB_GB1_5 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 299 + CB_GB1_5 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 295 + CB_GB1_5 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 299 CB_GB1_5 OD1_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.853227e-04 0.004395 0.007862 True md_ensemble 7 43 300 - CB_GB1_5 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 301 - CB_GB1_5 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 302 + CB_GB1_5 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 301 + CB_GB1_5 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 302 CB_GB1_5 O_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.989487e-05 0.004395 0.007862 True md_ensemble 7 43 303 - CB_GB1_5 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 304 - CB_GB1_5 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 308 - CB_GB1_5 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 309 - CB_GB1_5 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 310 - CB_GB1_5 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 311 + CB_GB1_5 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 304 + CB_GB1_5 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 308 + CB_GB1_5 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 309 + CB_GB1_5 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 310 + CB_GB1_5 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 311 CB_GB1_5 O_GB1_36 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.004907e-04 0.004395 0.007862 True md_ensemble 7 43 312 - CB_GB1_5 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 313 - CB_GB1_5 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 317 + CB_GB1_5 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 313 + CB_GB1_5 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 317 CB_GB1_5 OD1_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000598e-04 0.004395 0.007862 True md_ensemble 7 43 318 - CB_GB1_5 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 319 - CB_GB1_5 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 320 + CB_GB1_5 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 319 + CB_GB1_5 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 320 CB_GB1_5 O_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 43 321 - CB_GB1_5 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 322 - CB_GB1_5 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 325 + CB_GB1_5 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 322 + CB_GB1_5 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 325 CB_GB1_5 O_GB1_38 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 43 326 - CB_GB1_5 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 327 - CB_GB1_5 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 333 + CB_GB1_5 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 327 + CB_GB1_5 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 333 CB_GB1_5 O_GB1_39 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 43 334 - CB_GB1_5 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 335 - CB_GB1_5 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 339 - CB_GB1_5 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 340 - CB_GB1_5 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 341 - CB_GB1_5 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 342 + CB_GB1_5 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 335 + CB_GB1_5 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 339 + CB_GB1_5 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 340 + CB_GB1_5 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 341 + CB_GB1_5 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 342 CB_GB1_5 O_GB1_40 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000555e-04 0.004395 0.007862 True md_ensemble 7 43 343 - CB_GB1_5 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 344 - CB_GB1_5 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 347 + CB_GB1_5 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 344 + CB_GB1_5 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 347 CB_GB1_5 O_GB1_41 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 43 348 - CB_GB1_5 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 349 - CB_GB1_5 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 354 - CB_GB1_5 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 355 - CB_GB1_5 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 356 - CB_GB1_5 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 357 + CB_GB1_5 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 349 + CB_GB1_5 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 354 + CB_GB1_5 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 355 + CB_GB1_5 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 356 + CB_GB1_5 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 357 CB_GB1_5 O_GB1_42 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.985917e-05 0.004395 0.007862 True md_ensemble 7 43 358 - CB_GB1_5 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 359 - CB_GB1_5 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 366 + CB_GB1_5 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 359 + CB_GB1_5 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 366 CB_GB1_5 CZ3_GB1_43 1 5.131899e-03 5.056438e-05 ; 4.630143e-01 1.302122e-01 1.411990e-02 4.038260e-04 0.004395 0.012152 True md_ensemble 7 43 370 CB_GB1_5 CH2_GB1_43 1 3.983191e-03 3.974907e-05 ; 4.639979e-01 9.978728e-02 7.829167e-03 7.005897e-04 0.004395 0.012152 True md_ensemble 7 43 371 - CB_GB1_5 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 372 + CB_GB1_5 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 372 CB_GB1_5 O_GB1_43 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.985610e-05 0.004395 0.007862 True md_ensemble 7 43 373 - CB_GB1_5 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 374 - CB_GB1_5 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 378 - CB_GB1_5 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 380 + CB_GB1_5 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 374 + CB_GB1_5 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 378 + CB_GB1_5 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 380 CB_GB1_5 O_GB1_44 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 43 381 - CB_GB1_5 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 382 - CB_GB1_5 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 392 - CB_GB1_5 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 393 + CB_GB1_5 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 382 + CB_GB1_5 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 392 + CB_GB1_5 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 393 CB_GB1_5 O_GB1_45 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 43 394 - CB_GB1_5 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 395 - CB_GB1_5 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 399 - CB_GB1_5 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 400 - CB_GB1_5 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 401 - CB_GB1_5 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 402 + CB_GB1_5 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 395 + CB_GB1_5 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 399 + CB_GB1_5 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 400 + CB_GB1_5 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 401 + CB_GB1_5 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 402 CB_GB1_5 O_GB1_46 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 43 403 - CB_GB1_5 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 404 - CB_GB1_5 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 408 - CB_GB1_5 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 409 - CB_GB1_5 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 410 - CB_GB1_5 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 411 + CB_GB1_5 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 404 + CB_GB1_5 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 408 + CB_GB1_5 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 409 + CB_GB1_5 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 410 + CB_GB1_5 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 411 CB_GB1_5 O_GB1_47 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.658036e-05 0.004395 0.007862 True md_ensemble 7 43 412 - CB_GB1_5 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 413 - CB_GB1_5 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 417 + CB_GB1_5 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 413 + CB_GB1_5 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 417 CB_GB1_5 O_GB1_48 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 43 418 - CB_GB1_5 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 419 - CB_GB1_5 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 423 - CB_GB1_5 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 425 + CB_GB1_5 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 419 + CB_GB1_5 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 423 + CB_GB1_5 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 425 CB_GB1_5 O_GB1_49 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.215229e-05 0.004395 0.007862 True md_ensemble 7 43 426 - CB_GB1_5 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 427 - CB_GB1_5 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 434 - CB_GB1_5 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 435 + CB_GB1_5 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 427 + CB_GB1_5 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 434 + CB_GB1_5 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 435 CB_GB1_5 O_GB1_50 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 43 436 - CB_GB1_5 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 437 - CB_GB1_5 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 441 - CB_GB1_5 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 443 + CB_GB1_5 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 437 + CB_GB1_5 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 441 + CB_GB1_5 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 443 CB_GB1_5 O_GB1_51 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 43 444 - CB_GB1_5 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 445 + CB_GB1_5 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 445 CB_GB1_5 CA_GB1_52 1 2.013610e-02 2.900450e-04 ; 4.932666e-01 3.494824e-01 9.900170e-01 9.992476e-05 0.004395 0.007117 True md_ensemble 7 43 447 CB_GB1_5 CB_GB1_52 1 7.715542e-03 4.252630e-05 ; 4.202895e-01 3.499575e-01 9.991764e-01 2.068818e-04 0.004395 0.007860 True md_ensemble 7 43 448 CB_GB1_5 CG_GB1_52 1 8.812614e-03 8.552634e-05 ; 4.618481e-01 2.270124e-01 9.219206e-02 0.000000e+00 0.004395 0.012152 True md_ensemble 7 43 449 @@ -7355,33 +7355,33 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CB_GB1_5 CD2_GB1_52 1 9.061924e-03 8.206546e-05 ; 4.565517e-01 2.501615e-01 1.443982e-01 9.752605e-05 0.004395 0.012152 True md_ensemble 7 43 451 CB_GB1_5 C_GB1_52 1 1.141777e-02 1.038235e-04 ; 4.568627e-01 3.139117e-01 4.968319e-01 1.477485e-05 0.004395 0.001132 True md_ensemble 7 43 455 CB_GB1_5 O_GB1_52 1 4.689686e-03 1.580680e-05 ; 3.872131e-01 3.478433e-01 9.590574e-01 9.996750e-05 0.004395 0.007862 True md_ensemble 7 43 456 - CB_GB1_5 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 457 + CB_GB1_5 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 457 CB_GB1_5 CA_GB1_53 1 1.648196e-02 3.695999e-04 ; 5.310318e-01 1.837494e-01 3.985717e-02 4.119539e-05 0.004395 0.007117 True md_ensemble 7 43 459 - CB_GB1_5 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 461 - CB_GB1_5 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 463 + CB_GB1_5 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 461 + CB_GB1_5 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 463 CB_GB1_5 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 43 464 - CB_GB1_5 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 465 + CB_GB1_5 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 465 CB_GB1_5 CG1_GB1_54 1 7.120014e-03 9.690565e-05 ; 4.886277e-01 1.307834e-01 1.427710e-02 2.802391e-04 0.004395 0.012151 True md_ensemble 7 43 469 CB_GB1_5 CG2_GB1_54 1 7.019644e-03 9.602137e-05 ; 4.890375e-01 1.282928e-01 1.360424e-02 2.787830e-04 0.004395 0.012151 True md_ensemble 7 43 470 - CB_GB1_5 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 471 + CB_GB1_5 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 471 CB_GB1_5 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 43 472 - CB_GB1_5 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 473 - CB_GB1_5 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 477 - CB_GB1_5 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 479 + CB_GB1_5 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 473 + CB_GB1_5 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 477 + CB_GB1_5 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 479 CB_GB1_5 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 43 480 - CB_GB1_5 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 481 - CB_GB1_5 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 486 - CB_GB1_5 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 487 - CB_GB1_5 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 488 - CB_GB1_5 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 489 - CB_GB1_5 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 490 - CB_GB1_5 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 491 - CG_GB1_5 C_GB1_5 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 47 - CG_GB1_5 O_GB1_5 1 0.000000e+00 4.147630e-06 ; 3.171843e-01 -4.147630e-06 1.000000e+00 9.985881e-01 0.004395 0.001132 True md_ensemble 4 44 48 - CG_GB1_5 N_GB1_6 1 0.000000e+00 7.574626e-06 ; 3.335097e-01 -7.574626e-06 1.000000e+00 9.999513e-01 0.004395 0.001132 True md_ensemble 4 44 49 - CG_GB1_5 CA_GB1_6 1 0.000000e+00 6.464300e-05 ; 3.987541e-01 -6.464300e-05 9.999961e-01 9.860730e-01 0.004395 0.001132 True md_ensemble 5 44 51 - CG_GB1_5 CB_GB1_6 1 0.000000e+00 1.832368e-05 ; 3.589876e-01 -1.832368e-05 9.992919e-01 2.788049e-01 0.004395 0.001132 True md_ensemble 6 44 52 - CG_GB1_5 CG1_GB1_6 1 0.000000e+00 3.594877e-05 ; 3.797245e-01 -3.594877e-05 1.948035e-02 1.494597e-01 0.004395 0.007117 True md_ensemble 7 44 53 + CB_GB1_5 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 481 + CB_GB1_5 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 486 + CB_GB1_5 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 487 + CB_GB1_5 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 488 + CB_GB1_5 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 489 + CB_GB1_5 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 490 + CB_GB1_5 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 43 491 + CG_GB1_5 C_GB1_5 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 47 + CG_GB1_5 O_GB1_5 1 0.000000e+00 4.147663e-06 ; 3.171845e-01 -4.147663e-06 1.000000e+00 9.985881e-01 0.004395 0.001132 True md_ensemble 4 44 48 + CG_GB1_5 N_GB1_6 1 0.000000e+00 7.574614e-06 ; 3.335096e-01 -7.574614e-06 1.000000e+00 9.999513e-01 0.004395 0.001132 True md_ensemble 4 44 49 + CG_GB1_5 CA_GB1_6 1 0.000000e+00 6.464348e-05 ; 3.987543e-01 -6.464348e-05 9.999961e-01 9.860730e-01 0.004395 0.001132 True md_ensemble 5 44 51 + CG_GB1_5 CB_GB1_6 1 0.000000e+00 1.832382e-05 ; 3.589878e-01 -1.832382e-05 9.992919e-01 2.788049e-01 0.004395 0.001132 True md_ensemble 6 44 52 + CG_GB1_5 CG1_GB1_6 1 0.000000e+00 3.594862e-05 ; 3.797244e-01 -3.594862e-05 1.948035e-02 1.494597e-01 0.004395 0.007117 True md_ensemble 7 44 53 CG_GB1_5 C_GB1_6 1 1.119027e-03 3.118655e-06 ; 3.751352e-01 1.003816e-01 1.000000e+00 1.428863e-01 0.004395 0.001132 True md_ensemble 6 44 56 CG_GB1_5 O_GB1_6 1 2.185220e-03 5.467210e-06 ; 3.684499e-01 2.183558e-01 9.793476e-01 9.876906e-02 0.004395 0.007862 True md_ensemble 7 44 57 CG_GB1_5 N_GB1_7 1 1.781756e-03 6.528574e-06 ; 3.926404e-01 1.215676e-01 9.968231e-01 9.446367e-02 0.004395 0.001132 True md_ensemble 7 44 58 @@ -7390,41 +7390,41 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CG_GB1_5 CG_GB1_7 1 2.005315e-03 5.391908e-06 ; 3.729008e-01 1.864501e-01 9.961657e-01 1.536071e-01 0.004395 0.006476 True md_ensemble 7 44 62 CG_GB1_5 CD1_GB1_7 1 2.910203e-03 8.604679e-06 ; 3.788511e-01 2.460661e-01 9.692822e-01 7.818450e-02 0.004395 0.010759 True md_ensemble 7 44 63 CG_GB1_5 CD2_GB1_7 1 2.170721e-03 4.640557e-06 ; 3.589173e-01 2.538505e-01 9.078279e-01 6.297163e-02 0.004395 0.010759 True md_ensemble 7 44 64 - CG_GB1_5 C_GB1_7 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 65 + CG_GB1_5 C_GB1_7 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 65 CG_GB1_5 O_GB1_7 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 4.771662e-02 0.004395 0.007862 True md_ensemble 7 44 66 - CG_GB1_5 N_GB1_8 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 67 - CG_GB1_5 CG_GB1_8 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 71 + CG_GB1_5 N_GB1_8 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 67 + CG_GB1_5 CG_GB1_8 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 71 CG_GB1_5 OD1_GB1_8 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.004500e-02 0.004395 0.007862 True md_ensemble 7 44 72 - CG_GB1_5 ND2_GB1_8 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 73 - CG_GB1_5 C_GB1_8 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 74 + CG_GB1_5 ND2_GB1_8 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 73 + CG_GB1_5 C_GB1_8 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 74 CG_GB1_5 O_GB1_8 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 9.869281e-03 0.004395 0.007862 True md_ensemble 7 44 75 - CG_GB1_5 N_GB1_9 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 76 - CG_GB1_5 C_GB1_9 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 79 + CG_GB1_5 N_GB1_9 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 76 + CG_GB1_5 C_GB1_9 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 79 CG_GB1_5 O_GB1_9 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 4.629594e-03 0.004395 0.007862 True md_ensemble 7 44 80 - CG_GB1_5 N_GB1_10 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 81 - CG_GB1_5 NZ_GB1_10 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 88 - CG_GB1_5 C_GB1_10 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 89 + CG_GB1_5 N_GB1_10 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 81 + CG_GB1_5 NZ_GB1_10 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 88 + CG_GB1_5 C_GB1_10 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 89 CG_GB1_5 O_GB1_10 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.739376e-03 0.004395 0.007862 True md_ensemble 7 44 90 - CG_GB1_5 N_GB1_11 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 91 - CG_GB1_5 OG1_GB1_11 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 95 - CG_GB1_5 C_GB1_11 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 97 + CG_GB1_5 N_GB1_11 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 91 + CG_GB1_5 OG1_GB1_11 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 95 + CG_GB1_5 C_GB1_11 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 97 CG_GB1_5 O_GB1_11 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 7.017967e-04 0.004395 0.007862 True md_ensemble 7 44 98 - CG_GB1_5 N_GB1_12 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 99 - CG_GB1_5 C_GB1_12 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 106 + CG_GB1_5 N_GB1_12 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 99 + CG_GB1_5 C_GB1_12 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 106 CG_GB1_5 O_GB1_12 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.119821e-03 0.004395 0.007862 True md_ensemble 7 44 107 - CG_GB1_5 N_GB1_13 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 108 - CG_GB1_5 NZ_GB1_13 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 115 - CG_GB1_5 C_GB1_13 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 116 + CG_GB1_5 N_GB1_13 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 108 + CG_GB1_5 NZ_GB1_13 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 115 + CG_GB1_5 C_GB1_13 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 116 CG_GB1_5 O_GB1_13 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.519088e-03 0.004395 0.007862 True md_ensemble 7 44 117 - CG_GB1_5 N_GB1_14 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 118 - CG_GB1_5 C_GB1_14 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 121 + CG_GB1_5 N_GB1_14 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 118 + CG_GB1_5 C_GB1_14 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 121 CG_GB1_5 O_GB1_14 1 2.753157e-03 1.214971e-05 ; 4.050008e-01 1.559681e-01 2.326186e-02 1.065307e-03 0.004395 0.007862 True md_ensemble 7 44 122 - CG_GB1_5 N_GB1_15 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 123 + CG_GB1_5 N_GB1_15 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 123 CG_GB1_5 CA_GB1_15 1 2.950271e-02 6.476363e-04 ; 5.291493e-01 3.359948e-01 7.622625e-01 1.301097e-03 0.004395 0.006476 True md_ensemble 7 44 125 CG_GB1_5 CB_GB1_15 1 8.378835e-03 1.911161e-04 ; 5.325401e-01 9.183537e-02 6.710835e-03 9.483085e-04 0.004395 0.007117 True md_ensemble 7 44 126 - CG_GB1_5 CD_GB1_15 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 128 - CG_GB1_5 OE1_GB1_15 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 129 - CG_GB1_5 OE2_GB1_15 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 130 + CG_GB1_5 CD_GB1_15 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 128 + CG_GB1_5 OE1_GB1_15 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 129 + CG_GB1_5 OE2_GB1_15 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 130 CG_GB1_5 C_GB1_15 1 1.057877e-02 1.380188e-04 ; 4.851959e-01 2.027088e-01 5.755804e-02 2.013709e-04 0.004395 0.001132 True md_ensemble 7 44 131 CG_GB1_5 O_GB1_15 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 4.373363e-04 0.004395 0.007862 True md_ensemble 7 44 132 CG_GB1_5 N_GB1_16 1 1.133178e-02 1.031295e-04 ; 4.569277e-01 3.112814e-01 4.721370e-01 2.971127e-07 0.004395 0.001132 True md_ensemble 7 44 133 @@ -7434,59 +7434,59 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CG_GB1_5 CG2_GB1_16 1 5.112692e-03 1.871569e-05 ; 3.925781e-01 3.491671e-01 9.839857e-01 2.676741e-03 0.004395 0.010759 True md_ensemble 7 44 138 CG_GB1_5 C_GB1_16 1 1.563421e-02 2.226485e-04 ; 4.923311e-01 2.744557e-01 2.312439e-01 1.409691e-04 0.004395 0.001132 True md_ensemble 7 44 139 CG_GB1_5 O_GB1_16 1 8.851582e-03 6.140205e-05 ; 4.367105e-01 3.190060e-01 5.483950e-01 2.665119e-04 0.004395 0.007862 True md_ensemble 7 44 140 - CG_GB1_5 N_GB1_17 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 141 - CG_GB1_5 OG1_GB1_17 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 145 - CG_GB1_5 C_GB1_17 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 147 + CG_GB1_5 N_GB1_17 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 141 + CG_GB1_5 OG1_GB1_17 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 145 + CG_GB1_5 C_GB1_17 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 147 CG_GB1_5 O_GB1_17 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.772363e-04 0.004395 0.007862 True md_ensemble 7 44 148 - CG_GB1_5 N_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 149 - CG_GB1_5 OG1_GB1_18 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 153 - CG_GB1_5 C_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 155 + CG_GB1_5 N_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 149 + CG_GB1_5 OG1_GB1_18 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 153 + CG_GB1_5 C_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 155 CG_GB1_5 O_GB1_18 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.327196e-04 0.004395 0.007862 True md_ensemble 7 44 156 - CG_GB1_5 N_GB1_19 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 157 - CG_GB1_5 CD_GB1_19 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 162 - CG_GB1_5 OE1_GB1_19 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 163 - CG_GB1_5 OE2_GB1_19 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 164 - CG_GB1_5 C_GB1_19 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 165 + CG_GB1_5 N_GB1_19 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 157 + CG_GB1_5 CD_GB1_19 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 162 + CG_GB1_5 OE1_GB1_19 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 163 + CG_GB1_5 OE2_GB1_19 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 164 + CG_GB1_5 C_GB1_19 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 165 CG_GB1_5 O_GB1_19 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.999787e-04 0.004395 0.007862 True md_ensemble 7 44 166 - CG_GB1_5 N_GB1_20 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 167 - CG_GB1_5 C_GB1_20 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 171 + CG_GB1_5 N_GB1_20 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 167 + CG_GB1_5 C_GB1_20 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 171 CG_GB1_5 O_GB1_20 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 7.320495e-04 0.004395 0.007862 True md_ensemble 7 44 172 - CG_GB1_5 N_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 173 - CG_GB1_5 C_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 179 + CG_GB1_5 N_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 173 + CG_GB1_5 C_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 179 CG_GB1_5 O_GB1_21 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.540978e-04 0.004395 0.007862 True md_ensemble 7 44 180 - CG_GB1_5 N_GB1_22 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 181 - CG_GB1_5 CG_GB1_22 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 185 - CG_GB1_5 OD1_GB1_22 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 186 - CG_GB1_5 OD2_GB1_22 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 187 - CG_GB1_5 C_GB1_22 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 188 + CG_GB1_5 N_GB1_22 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 181 + CG_GB1_5 CG_GB1_22 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 185 + CG_GB1_5 OD1_GB1_22 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 186 + CG_GB1_5 OD2_GB1_22 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 187 + CG_GB1_5 C_GB1_22 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 188 CG_GB1_5 O_GB1_22 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.561830e-04 0.004395 0.007862 True md_ensemble 7 44 189 - CG_GB1_5 N_GB1_23 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 190 - CG_GB1_5 C_GB1_23 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 194 + CG_GB1_5 N_GB1_23 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 190 + CG_GB1_5 C_GB1_23 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 194 CG_GB1_5 O_GB1_23 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 4.302285e-04 0.004395 0.007862 True md_ensemble 7 44 195 - CG_GB1_5 N_GB1_24 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 196 - CG_GB1_5 C_GB1_24 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 200 + CG_GB1_5 N_GB1_24 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 196 + CG_GB1_5 C_GB1_24 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 200 CG_GB1_5 O_GB1_24 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.000463e-04 0.004395 0.007862 True md_ensemble 7 44 201 - CG_GB1_5 N_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 202 - CG_GB1_5 OG1_GB1_25 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 206 - CG_GB1_5 C_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 208 + CG_GB1_5 N_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 202 + CG_GB1_5 OG1_GB1_25 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 206 + CG_GB1_5 C_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 208 CG_GB1_5 O_GB1_25 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.175761e-04 0.004395 0.007862 True md_ensemble 7 44 209 - CG_GB1_5 N_GB1_26 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 210 - CG_GB1_5 C_GB1_26 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 214 + CG_GB1_5 N_GB1_26 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 210 + CG_GB1_5 C_GB1_26 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 214 CG_GB1_5 O_GB1_26 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.001086e-04 0.004395 0.007862 True md_ensemble 7 44 215 - CG_GB1_5 N_GB1_27 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 216 - CG_GB1_5 CD_GB1_27 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 221 - CG_GB1_5 OE1_GB1_27 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 222 - CG_GB1_5 OE2_GB1_27 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 223 - CG_GB1_5 C_GB1_27 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 224 + CG_GB1_5 N_GB1_27 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 216 + CG_GB1_5 CD_GB1_27 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 221 + CG_GB1_5 OE1_GB1_27 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 222 + CG_GB1_5 OE2_GB1_27 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 223 + CG_GB1_5 C_GB1_27 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 224 CG_GB1_5 O_GB1_27 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.000233e-04 0.004395 0.007862 True md_ensemble 7 44 225 - CG_GB1_5 N_GB1_28 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 226 - CG_GB1_5 NZ_GB1_28 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 233 - CG_GB1_5 C_GB1_28 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 234 + CG_GB1_5 N_GB1_28 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 226 + CG_GB1_5 NZ_GB1_28 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 233 + CG_GB1_5 C_GB1_28 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 234 CG_GB1_5 O_GB1_28 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 44 235 - CG_GB1_5 N_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 236 - CG_GB1_5 C_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 242 + CG_GB1_5 N_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 236 + CG_GB1_5 C_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 242 CG_GB1_5 O_GB1_29 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.000512e-04 0.004395 0.007862 True md_ensemble 7 44 243 - CG_GB1_5 N_GB1_30 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 244 + CG_GB1_5 N_GB1_30 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 244 CG_GB1_5 CA_GB1_30 1 1.459681e-02 1.521988e-04 ; 4.674038e-01 3.499810e-01 9.996326e-01 2.081422e-04 0.004395 0.006476 True md_ensemble 7 44 246 CG_GB1_5 CB_GB1_30 1 5.059778e-03 1.828669e-05 ; 3.917424e-01 3.499999e-01 9.999972e-01 2.704518e-04 0.004395 0.007117 True md_ensemble 7 44 247 CG_GB1_5 CG_GB1_30 1 4.164979e-03 1.239084e-05 ; 3.792404e-01 3.499975e-01 9.999515e-01 8.751772e-05 0.004395 0.010759 True md_ensemble 7 44 248 @@ -7497,17 +7497,17 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CG_GB1_5 CZ_GB1_30 1 1.135875e-02 9.272184e-05 ; 4.487198e-01 3.478714e-01 9.595801e-01 8.445495e-04 0.004395 0.010759 True md_ensemble 7 44 253 CG_GB1_5 C_GB1_30 1 1.550659e-02 1.912681e-04 ; 4.806782e-01 3.142895e-01 5.004834e-01 1.208478e-04 0.004395 0.001132 True md_ensemble 7 44 254 CG_GB1_5 O_GB1_30 1 8.033822e-03 5.358054e-05 ; 4.338579e-01 3.011461e-01 3.879264e-01 0.000000e+00 0.004395 0.007862 True md_ensemble 7 44 255 - CG_GB1_5 N_GB1_31 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 256 - CG_GB1_5 NZ_GB1_31 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 263 - CG_GB1_5 C_GB1_31 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 264 + CG_GB1_5 N_GB1_31 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 256 + CG_GB1_5 NZ_GB1_31 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 263 + CG_GB1_5 C_GB1_31 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 264 CG_GB1_5 O_GB1_31 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.282119e-04 0.004395 0.007862 True md_ensemble 7 44 265 - CG_GB1_5 N_GB1_32 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 266 - CG_GB1_5 CD_GB1_32 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 271 + CG_GB1_5 N_GB1_32 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 266 + CG_GB1_5 CD_GB1_32 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 271 CG_GB1_5 OE1_GB1_32 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 4.621467e-04 0.004395 0.007862 True md_ensemble 7 44 272 - CG_GB1_5 NE2_GB1_32 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 273 - CG_GB1_5 C_GB1_32 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 274 + CG_GB1_5 NE2_GB1_32 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 273 + CG_GB1_5 C_GB1_32 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 274 CG_GB1_5 O_GB1_32 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 4.215267e-04 0.004395 0.007862 True md_ensemble 7 44 275 - CG_GB1_5 N_GB1_33 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 276 + CG_GB1_5 N_GB1_33 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 276 CG_GB1_5 CA_GB1_33 1 2.200204e-02 7.282047e-04 ; 5.666285e-01 1.661929e-01 2.836065e-02 6.076877e-04 0.004395 0.006476 True md_ensemble 7 44 278 CG_GB1_5 CB_GB1_33 1 2.091176e-02 3.606238e-04 ; 5.082889e-01 3.031565e-01 4.033415e-01 2.863502e-04 0.004395 0.007117 True md_ensemble 7 44 279 CG_GB1_5 CG_GB1_33 1 1.208315e-02 1.614313e-04 ; 4.871185e-01 2.261062e-01 9.058684e-02 2.650754e-04 0.004395 0.010759 True md_ensemble 7 44 280 @@ -7515,97 +7515,97 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CG_GB1_5 CD2_GB1_33 1 1.055948e-02 8.962818e-05 ; 4.516482e-01 3.110146e-01 4.697017e-01 4.417760e-04 0.004395 0.010759 True md_ensemble 7 44 282 CG_GB1_5 CE1_GB1_33 1 1.143821e-02 1.204272e-04 ; 4.681601e-01 2.716010e-01 2.187959e-01 8.513419e-04 0.004395 0.010759 True md_ensemble 7 44 283 CG_GB1_5 CE2_GB1_33 1 1.143821e-02 1.204272e-04 ; 4.681601e-01 2.716010e-01 2.187959e-01 8.513419e-04 0.004395 0.010759 True md_ensemble 7 44 284 - CG_GB1_5 OH_GB1_33 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 286 - CG_GB1_5 C_GB1_33 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 287 + CG_GB1_5 OH_GB1_33 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 286 + CG_GB1_5 C_GB1_33 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 287 CG_GB1_5 O_GB1_33 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.000214e-04 0.004395 0.007862 True md_ensemble 7 44 288 - CG_GB1_5 N_GB1_34 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 289 + CG_GB1_5 N_GB1_34 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 289 CG_GB1_5 CA_GB1_34 1 3.235715e-02 9.004552e-04 ; 5.504890e-01 2.906822e-01 3.167120e-01 3.498728e-04 0.004395 0.006476 True md_ensemble 7 44 291 CG_GB1_5 CB_GB1_34 1 1.780993e-02 2.739207e-04 ; 4.986859e-01 2.894941e-01 3.095018e-01 6.128408e-04 0.004395 0.010759 True md_ensemble 7 44 292 - CG_GB1_5 C_GB1_34 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 293 + CG_GB1_5 C_GB1_34 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 293 CG_GB1_5 O_GB1_34 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.383249e-04 0.004395 0.007862 True md_ensemble 7 44 294 - CG_GB1_5 N_GB1_35 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 295 - CG_GB1_5 CG_GB1_35 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 299 + CG_GB1_5 N_GB1_35 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 295 + CG_GB1_5 CG_GB1_35 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 299 CG_GB1_5 OD1_GB1_35 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.938038e-04 0.004395 0.007862 True md_ensemble 7 44 300 - CG_GB1_5 ND2_GB1_35 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 301 - CG_GB1_5 C_GB1_35 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 302 + CG_GB1_5 ND2_GB1_35 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 301 + CG_GB1_5 C_GB1_35 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 302 CG_GB1_5 O_GB1_35 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.000557e-04 0.004395 0.007862 True md_ensemble 7 44 303 - CG_GB1_5 N_GB1_36 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 304 - CG_GB1_5 CG_GB1_36 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 308 - CG_GB1_5 OD1_GB1_36 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 309 - CG_GB1_5 OD2_GB1_36 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 310 - CG_GB1_5 C_GB1_36 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 311 + CG_GB1_5 N_GB1_36 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 304 + CG_GB1_5 CG_GB1_36 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 308 + CG_GB1_5 OD1_GB1_36 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 309 + CG_GB1_5 OD2_GB1_36 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 310 + CG_GB1_5 C_GB1_36 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 311 CG_GB1_5 O_GB1_36 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.911156e-04 0.004395 0.007862 True md_ensemble 7 44 312 - CG_GB1_5 N_GB1_37 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 313 - CG_GB1_5 CG_GB1_37 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 317 + CG_GB1_5 N_GB1_37 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 313 + CG_GB1_5 CG_GB1_37 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 317 CG_GB1_5 OD1_GB1_37 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.303006e-04 0.004395 0.007862 True md_ensemble 7 44 318 - CG_GB1_5 ND2_GB1_37 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 319 - CG_GB1_5 C_GB1_37 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 320 + CG_GB1_5 ND2_GB1_37 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 319 + CG_GB1_5 C_GB1_37 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 320 CG_GB1_5 O_GB1_37 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 44 321 - CG_GB1_5 N_GB1_38 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 322 - CG_GB1_5 C_GB1_38 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 325 + CG_GB1_5 N_GB1_38 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 322 + CG_GB1_5 C_GB1_38 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 325 CG_GB1_5 O_GB1_38 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 44 326 - CG_GB1_5 N_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 327 - CG_GB1_5 C_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 333 + CG_GB1_5 N_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 327 + CG_GB1_5 C_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 333 CG_GB1_5 O_GB1_39 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 9.991973e-05 0.004395 0.007862 True md_ensemble 7 44 334 - CG_GB1_5 N_GB1_40 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 335 - CG_GB1_5 CG_GB1_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 339 - CG_GB1_5 OD1_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 340 - CG_GB1_5 OD2_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 341 - CG_GB1_5 C_GB1_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 342 + CG_GB1_5 N_GB1_40 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 335 + CG_GB1_5 CG_GB1_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 339 + CG_GB1_5 OD1_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 340 + CG_GB1_5 OD2_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 341 + CG_GB1_5 C_GB1_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 342 CG_GB1_5 O_GB1_40 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.112336e-04 0.004395 0.007862 True md_ensemble 7 44 343 - CG_GB1_5 N_GB1_41 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 344 - CG_GB1_5 C_GB1_41 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 347 + CG_GB1_5 N_GB1_41 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 344 + CG_GB1_5 C_GB1_41 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 347 CG_GB1_5 O_GB1_41 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.593553e-04 0.004395 0.007862 True md_ensemble 7 44 348 - CG_GB1_5 N_GB1_42 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 349 - CG_GB1_5 CD_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 354 - CG_GB1_5 OE1_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 355 - CG_GB1_5 OE2_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 356 - CG_GB1_5 C_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 357 + CG_GB1_5 N_GB1_42 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 349 + CG_GB1_5 CD_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 354 + CG_GB1_5 OE1_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 355 + CG_GB1_5 OE2_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 356 + CG_GB1_5 C_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 357 CG_GB1_5 O_GB1_42 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.544296e-04 0.004395 0.007862 True md_ensemble 7 44 358 - CG_GB1_5 N_GB1_43 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 359 - CG_GB1_5 NE1_GB1_43 1 0.000000e+00 9.937288e-06 ; 8.853117e-06 -9.937288e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 366 + CG_GB1_5 N_GB1_43 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 359 + CG_GB1_5 NE1_GB1_43 1 0.000000e+00 9.937231e-06 ; 8.853066e-06 -9.937231e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 366 CG_GB1_5 CE3_GB1_43 1 9.851562e-03 1.311485e-04 ; 4.868289e-01 1.850064e-01 4.084023e-02 5.156716e-04 0.004395 0.010759 True md_ensemble 7 44 368 CG_GB1_5 CZ2_GB1_43 1 1.260495e-02 1.575429e-04 ; 4.817366e-01 2.521294e-01 1.500126e-01 7.461824e-04 0.004395 0.010759 True md_ensemble 7 44 369 CG_GB1_5 CZ3_GB1_43 1 1.018291e-02 8.098896e-05 ; 4.467786e-01 3.200794e-01 5.599239e-01 9.178132e-04 0.004395 0.010759 True md_ensemble 7 44 370 CG_GB1_5 CH2_GB1_43 1 1.006581e-02 7.662734e-05 ; 4.435295e-01 3.305628e-01 6.860849e-01 9.905379e-04 0.004395 0.010759 True md_ensemble 7 44 371 - CG_GB1_5 C_GB1_43 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 372 + CG_GB1_5 C_GB1_43 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 372 CG_GB1_5 O_GB1_43 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.999957e-04 0.004395 0.007862 True md_ensemble 7 44 373 - CG_GB1_5 N_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 374 - CG_GB1_5 OG1_GB1_44 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 378 - CG_GB1_5 C_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 380 + CG_GB1_5 N_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 374 + CG_GB1_5 OG1_GB1_44 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 378 + CG_GB1_5 C_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 380 CG_GB1_5 O_GB1_44 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 44 381 - CG_GB1_5 N_GB1_45 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 382 - CG_GB1_5 OH_GB1_45 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 392 - CG_GB1_5 C_GB1_45 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 393 + CG_GB1_5 N_GB1_45 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 382 + CG_GB1_5 OH_GB1_45 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 392 + CG_GB1_5 C_GB1_45 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 393 CG_GB1_5 O_GB1_45 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 44 394 - CG_GB1_5 N_GB1_46 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 395 - CG_GB1_5 CG_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 399 - CG_GB1_5 OD1_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 400 - CG_GB1_5 OD2_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 401 - CG_GB1_5 C_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 402 + CG_GB1_5 N_GB1_46 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 395 + CG_GB1_5 CG_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 399 + CG_GB1_5 OD1_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 400 + CG_GB1_5 OD2_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 401 + CG_GB1_5 C_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 402 CG_GB1_5 O_GB1_46 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.995353e-04 0.004395 0.007862 True md_ensemble 7 44 403 - CG_GB1_5 N_GB1_47 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 404 - CG_GB1_5 CG_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 408 - CG_GB1_5 OD1_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 409 - CG_GB1_5 OD2_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 410 - CG_GB1_5 C_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 411 + CG_GB1_5 N_GB1_47 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 404 + CG_GB1_5 CG_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 408 + CG_GB1_5 OD1_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 409 + CG_GB1_5 OD2_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 410 + CG_GB1_5 C_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 411 CG_GB1_5 O_GB1_47 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.000210e-04 0.004395 0.007862 True md_ensemble 7 44 412 - CG_GB1_5 N_GB1_48 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 413 - CG_GB1_5 C_GB1_48 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 417 + CG_GB1_5 N_GB1_48 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 413 + CG_GB1_5 C_GB1_48 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 417 CG_GB1_5 O_GB1_48 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 9.993112e-05 0.004395 0.007862 True md_ensemble 7 44 418 - CG_GB1_5 N_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 419 - CG_GB1_5 OG1_GB1_49 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 423 - CG_GB1_5 C_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 425 + CG_GB1_5 N_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 419 + CG_GB1_5 OG1_GB1_49 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 423 + CG_GB1_5 C_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 425 CG_GB1_5 O_GB1_49 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.409621e-04 0.004395 0.007862 True md_ensemble 7 44 426 - CG_GB1_5 N_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 427 - CG_GB1_5 NZ_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 434 - CG_GB1_5 C_GB1_50 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 435 + CG_GB1_5 N_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 427 + CG_GB1_5 NZ_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 434 + CG_GB1_5 C_GB1_50 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 435 CG_GB1_5 O_GB1_50 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 9.872054e-05 0.004395 0.007862 True md_ensemble 7 44 436 - CG_GB1_5 N_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 437 - CG_GB1_5 OG1_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 441 - CG_GB1_5 C_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 443 + CG_GB1_5 N_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 437 + CG_GB1_5 OG1_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 441 + CG_GB1_5 C_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 443 CG_GB1_5 O_GB1_51 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 44 444 - CG_GB1_5 N_GB1_52 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 445 + CG_GB1_5 N_GB1_52 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 445 CG_GB1_5 CA_GB1_52 1 2.596753e-02 4.819693e-04 ; 5.145546e-01 3.497695e-01 9.955413e-01 3.044300e-04 0.004395 0.006476 True md_ensemble 7 44 447 CG_GB1_5 CB_GB1_52 1 9.717510e-03 6.745178e-05 ; 4.367569e-01 3.499908e-01 9.998214e-01 4.999237e-04 0.004395 0.007117 True md_ensemble 7 44 448 CG_GB1_5 CG_GB1_52 1 1.305988e-02 1.856361e-04 ; 4.921761e-01 2.296974e-01 9.711707e-02 2.142780e-04 0.004395 0.010759 True md_ensemble 7 44 449 @@ -7615,7 +7615,7 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CG_GB1_5 O_GB1_52 1 4.739027e-03 1.606328e-05 ; 3.875766e-01 3.495296e-01 9.909243e-01 1.093492e-04 0.004395 0.007862 True md_ensemble 7 44 456 CG_GB1_5 N_GB1_53 1 6.912720e-03 7.280055e-05 ; 4.681815e-01 1.640980e-01 2.723214e-02 9.230782e-05 0.004395 0.001132 True md_ensemble 7 44 457 CG_GB1_5 CA_GB1_53 1 2.928686e-02 6.572063e-04 ; 5.310941e-01 3.262750e-01 6.313691e-01 2.000233e-04 0.004395 0.006476 True md_ensemble 7 44 459 - CG_GB1_5 OG1_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 461 + CG_GB1_5 OG1_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 461 CG_GB1_5 C_GB1_53 1 9.854124e-03 1.269624e-04 ; 4.841830e-01 1.912058e-01 4.605473e-02 1.968272e-04 0.004395 0.001132 True md_ensemble 7 44 463 CG_GB1_5 O_GB1_53 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.061481e-04 0.004395 0.007862 True md_ensemble 7 44 464 CG_GB1_5 N_GB1_54 1 8.562684e-03 7.549717e-05 ; 4.545205e-01 2.427891e-01 1.251702e-01 1.288185e-06 0.004395 0.001132 True md_ensemble 7 44 465 @@ -7623,20 +7623,20 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CG_GB1_5 CB_GB1_54 1 1.970001e-02 2.774150e-04 ; 4.914099e-01 3.497380e-01 9.949339e-01 7.841653e-04 0.004395 0.006476 True md_ensemble 7 44 468 CG_GB1_5 CG1_GB1_54 1 4.217229e-03 1.592863e-05 ; 3.946316e-01 2.791361e-01 2.532035e-01 5.252939e-04 0.004395 0.010759 True md_ensemble 7 44 469 CG_GB1_5 CG2_GB1_54 1 8.106124e-03 4.895369e-05 ; 4.267387e-01 3.355684e-01 7.559884e-01 6.150288e-04 0.004395 0.010759 True md_ensemble 7 44 470 - CG_GB1_5 C_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 471 + CG_GB1_5 C_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 471 CG_GB1_5 O_GB1_54 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 44 472 - CG_GB1_5 N_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 473 - CG_GB1_5 OG1_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 477 - CG_GB1_5 C_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 479 + CG_GB1_5 N_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 473 + CG_GB1_5 OG1_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 477 + CG_GB1_5 C_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 479 CG_GB1_5 O_GB1_55 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 9.995155e-05 0.004395 0.007862 True md_ensemble 7 44 480 - CG_GB1_5 N_GB1_56 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 481 - CG_GB1_5 CD_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 486 - CG_GB1_5 OE1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 487 - CG_GB1_5 OE2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 488 - CG_GB1_5 C_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 489 - CG_GB1_5 O1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 490 - CG_GB1_5 O2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 491 - CD1_GB1_5 C_GB1_5 1 0.000000e+00 4.377552e-06 ; 3.186136e-01 -4.377552e-06 9.999943e-01 9.262416e-01 0.004395 0.001132 True md_ensemble 4 45 47 + CG_GB1_5 N_GB1_56 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 481 + CG_GB1_5 CD_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 486 + CG_GB1_5 OE1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 487 + CG_GB1_5 OE2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 488 + CG_GB1_5 C_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 489 + CG_GB1_5 O1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 490 + CG_GB1_5 O2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 44 491 + CD1_GB1_5 C_GB1_5 1 0.000000e+00 4.377495e-06 ; 3.186132e-01 -4.377495e-06 9.999943e-01 9.262416e-01 0.004395 0.001132 True md_ensemble 4 45 47 CD1_GB1_5 O_GB1_5 1 1.305867e-03 5.004161e-06 ; 3.955840e-01 8.519360e-02 6.539410e-01 1.254241e-01 0.004395 0.001132 True md_ensemble 5 45 48 CD1_GB1_5 N_GB1_6 1 4.388462e-04 5.675873e-07 ; 3.300806e-01 8.482657e-02 9.986468e-01 1.929052e-01 0.004395 0.001132 True md_ensemble 5 45 49 CD1_GB1_5 CA_GB1_6 1 2.146396e-03 1.194314e-05 ; 4.209541e-01 9.643651e-02 9.984134e-01 1.539963e-01 0.004395 0.001132 True md_ensemble 6 45 51 @@ -7649,99 +7649,99 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CD1_GB1_5 CG_GB1_7 1 5.251451e-03 2.794171e-05 ; 4.178262e-01 2.467434e-01 9.290501e-01 7.396190e-02 0.004395 0.010759 True md_ensemble 7 45 62 CD1_GB1_5 CD1_GB1_7 1 5.418528e-03 2.778925e-05 ; 4.152719e-01 2.641349e-01 4.428322e-01 4.845989e-02 0.004395 0.020717 True md_ensemble 7 45 63 CD1_GB1_5 CD2_GB1_7 1 2.619229e-03 5.379891e-06 ; 3.565332e-01 3.187965e-01 6.594533e-01 2.501422e-02 0.004395 0.020717 True md_ensemble 7 45 64 - CD1_GB1_5 C_GB1_7 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 65 + CD1_GB1_5 C_GB1_7 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 65 CD1_GB1_5 O_GB1_7 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 66 - CD1_GB1_5 N_GB1_8 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 67 - CD1_GB1_5 CG_GB1_8 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 71 + CD1_GB1_5 N_GB1_8 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 67 + CD1_GB1_5 CG_GB1_8 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 71 CD1_GB1_5 OD1_GB1_8 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 72 - CD1_GB1_5 ND2_GB1_8 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 73 - CD1_GB1_5 C_GB1_8 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 74 + CD1_GB1_5 ND2_GB1_8 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 73 + CD1_GB1_5 C_GB1_8 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 74 CD1_GB1_5 O_GB1_8 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 75 - CD1_GB1_5 N_GB1_9 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 76 - CD1_GB1_5 C_GB1_9 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 79 + CD1_GB1_5 N_GB1_9 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 76 + CD1_GB1_5 C_GB1_9 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 79 CD1_GB1_5 O_GB1_9 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 80 - CD1_GB1_5 N_GB1_10 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 81 - CD1_GB1_5 NZ_GB1_10 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 88 - CD1_GB1_5 C_GB1_10 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 89 + CD1_GB1_5 N_GB1_10 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 81 + CD1_GB1_5 NZ_GB1_10 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 88 + CD1_GB1_5 C_GB1_10 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 89 CD1_GB1_5 O_GB1_10 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 90 - CD1_GB1_5 N_GB1_11 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 91 - CD1_GB1_5 OG1_GB1_11 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 95 - CD1_GB1_5 C_GB1_11 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 97 + CD1_GB1_5 N_GB1_11 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 91 + CD1_GB1_5 OG1_GB1_11 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 95 + CD1_GB1_5 C_GB1_11 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 97 CD1_GB1_5 O_GB1_11 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 98 - CD1_GB1_5 N_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 99 - CD1_GB1_5 C_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 106 + CD1_GB1_5 N_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 99 + CD1_GB1_5 C_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 106 CD1_GB1_5 O_GB1_12 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 107 - CD1_GB1_5 N_GB1_13 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 108 - CD1_GB1_5 NZ_GB1_13 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 115 - CD1_GB1_5 C_GB1_13 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 116 + CD1_GB1_5 N_GB1_13 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 108 + CD1_GB1_5 NZ_GB1_13 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 115 + CD1_GB1_5 C_GB1_13 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 116 CD1_GB1_5 O_GB1_13 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 117 - CD1_GB1_5 N_GB1_14 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 118 - CD1_GB1_5 C_GB1_14 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 121 + CD1_GB1_5 N_GB1_14 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 118 + CD1_GB1_5 C_GB1_14 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 121 CD1_GB1_5 O_GB1_14 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 122 - CD1_GB1_5 N_GB1_15 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 123 - CD1_GB1_5 CD_GB1_15 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 128 + CD1_GB1_5 N_GB1_15 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 123 + CD1_GB1_5 CD_GB1_15 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 128 CD1_GB1_5 OE1_GB1_15 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 129 CD1_GB1_5 OE2_GB1_15 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 130 - CD1_GB1_5 C_GB1_15 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 131 + CD1_GB1_5 C_GB1_15 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 131 CD1_GB1_5 O_GB1_15 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 132 - CD1_GB1_5 N_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 133 - CD1_GB1_5 OG1_GB1_16 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 137 + CD1_GB1_5 N_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 133 + CD1_GB1_5 OG1_GB1_16 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 137 CD1_GB1_5 CG2_GB1_16 1 2.918124e-03 1.611659e-05 ; 4.204311e-01 1.320914e-01 1.464370e-02 2.188900e-03 0.004395 0.020717 True md_ensemble 7 45 138 - CD1_GB1_5 C_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 139 + CD1_GB1_5 C_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 139 CD1_GB1_5 O_GB1_16 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 140 - CD1_GB1_5 N_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 141 - CD1_GB1_5 OG1_GB1_17 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 145 - CD1_GB1_5 C_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 147 + CD1_GB1_5 N_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 141 + CD1_GB1_5 OG1_GB1_17 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 145 + CD1_GB1_5 C_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 147 CD1_GB1_5 O_GB1_17 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 148 - CD1_GB1_5 N_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 149 - CD1_GB1_5 OG1_GB1_18 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 153 - CD1_GB1_5 C_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 155 + CD1_GB1_5 N_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 149 + CD1_GB1_5 OG1_GB1_18 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 153 + CD1_GB1_5 C_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 155 CD1_GB1_5 O_GB1_18 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 156 - CD1_GB1_5 N_GB1_19 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 157 - CD1_GB1_5 CD_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 162 + CD1_GB1_5 N_GB1_19 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 157 + CD1_GB1_5 CD_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 162 CD1_GB1_5 OE1_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 163 CD1_GB1_5 OE2_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 164 - CD1_GB1_5 C_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 165 + CD1_GB1_5 C_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 165 CD1_GB1_5 O_GB1_19 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 166 - CD1_GB1_5 N_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 167 - CD1_GB1_5 C_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 171 + CD1_GB1_5 N_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 167 + CD1_GB1_5 C_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 171 CD1_GB1_5 O_GB1_20 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 172 - CD1_GB1_5 N_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 173 - CD1_GB1_5 C_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 179 + CD1_GB1_5 N_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 173 + CD1_GB1_5 C_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 179 CD1_GB1_5 O_GB1_21 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 180 - CD1_GB1_5 N_GB1_22 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 181 - CD1_GB1_5 CG_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 185 + CD1_GB1_5 N_GB1_22 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 181 + CD1_GB1_5 CG_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 185 CD1_GB1_5 OD1_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 186 CD1_GB1_5 OD2_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 187 - CD1_GB1_5 C_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 188 + CD1_GB1_5 C_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 188 CD1_GB1_5 O_GB1_22 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 189 - CD1_GB1_5 N_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 190 - CD1_GB1_5 C_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 194 + CD1_GB1_5 N_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 190 + CD1_GB1_5 C_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 194 CD1_GB1_5 O_GB1_23 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 195 - CD1_GB1_5 N_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 196 - CD1_GB1_5 C_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 200 + CD1_GB1_5 N_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 196 + CD1_GB1_5 C_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 200 CD1_GB1_5 O_GB1_24 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 201 - CD1_GB1_5 N_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 202 - CD1_GB1_5 OG1_GB1_25 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 206 - CD1_GB1_5 C_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 208 + CD1_GB1_5 N_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 202 + CD1_GB1_5 OG1_GB1_25 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 206 + CD1_GB1_5 C_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 208 CD1_GB1_5 O_GB1_25 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 209 - CD1_GB1_5 N_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 210 - CD1_GB1_5 C_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 214 + CD1_GB1_5 N_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 210 + CD1_GB1_5 C_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 214 CD1_GB1_5 O_GB1_26 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 215 - CD1_GB1_5 N_GB1_27 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 216 - CD1_GB1_5 CD_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 221 + CD1_GB1_5 N_GB1_27 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 216 + CD1_GB1_5 CD_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 221 CD1_GB1_5 OE1_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 222 CD1_GB1_5 OE2_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 223 - CD1_GB1_5 C_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 224 + CD1_GB1_5 C_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 224 CD1_GB1_5 O_GB1_27 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 225 - CD1_GB1_5 N_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 226 - CD1_GB1_5 NZ_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 233 - CD1_GB1_5 C_GB1_28 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 234 + CD1_GB1_5 N_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 226 + CD1_GB1_5 NZ_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 233 + CD1_GB1_5 C_GB1_28 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 234 CD1_GB1_5 O_GB1_28 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 235 - CD1_GB1_5 N_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 236 - CD1_GB1_5 C_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 242 + CD1_GB1_5 N_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 236 + CD1_GB1_5 C_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 242 CD1_GB1_5 O_GB1_29 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 243 - CD1_GB1_5 N_GB1_30 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 244 + CD1_GB1_5 N_GB1_30 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 244 CD1_GB1_5 CA_GB1_30 1 1.335129e-02 1.287589e-04 ; 4.613626e-01 3.461058e-01 9.272968e-01 3.685877e-04 0.004395 0.010759 True md_ensemble 7 45 246 CD1_GB1_5 CB_GB1_30 1 3.167424e-03 7.167790e-06 ; 3.623374e-01 3.499186e-01 9.984237e-01 4.958537e-04 0.004395 0.012151 True md_ensemble 7 45 247 CD1_GB1_5 CG_GB1_30 1 3.816310e-03 1.043404e-05 ; 3.739396e-01 3.489594e-01 9.800325e-01 2.941704e-04 0.004395 0.020719 True md_ensemble 7 45 248 @@ -7752,108 +7752,108 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CD1_GB1_5 CZ_GB1_30 1 7.365587e-03 6.108229e-05 ; 4.499021e-01 2.220442e-01 8.372810e-02 8.998604e-04 0.004395 0.020719 True md_ensemble 7 45 253 CD1_GB1_5 C_GB1_30 1 8.665410e-03 6.883561e-05 ; 4.466877e-01 2.727126e-01 2.235611e-01 1.754157e-04 0.004395 0.001132 True md_ensemble 7 45 254 CD1_GB1_5 O_GB1_30 1 3.920935e-03 1.607951e-05 ; 4.000803e-01 2.390266e-01 1.163668e-01 0.000000e+00 0.004395 0.007862 True md_ensemble 7 45 255 - CD1_GB1_5 N_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 256 - CD1_GB1_5 NZ_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 263 - CD1_GB1_5 C_GB1_31 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 264 + CD1_GB1_5 N_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 256 + CD1_GB1_5 NZ_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 263 + CD1_GB1_5 C_GB1_31 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 264 CD1_GB1_5 O_GB1_31 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 265 - CD1_GB1_5 N_GB1_32 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 266 - CD1_GB1_5 CD_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 271 + CD1_GB1_5 N_GB1_32 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 266 + CD1_GB1_5 CD_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 271 CD1_GB1_5 OE1_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 272 - CD1_GB1_5 NE2_GB1_32 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 273 - CD1_GB1_5 C_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 274 + CD1_GB1_5 NE2_GB1_32 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 273 + CD1_GB1_5 C_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 274 CD1_GB1_5 O_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 275 - CD1_GB1_5 N_GB1_33 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 276 - CD1_GB1_5 OH_GB1_33 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 286 - CD1_GB1_5 C_GB1_33 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 287 + CD1_GB1_5 N_GB1_33 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 276 + CD1_GB1_5 OH_GB1_33 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 286 + CD1_GB1_5 C_GB1_33 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 287 CD1_GB1_5 O_GB1_33 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 288 - CD1_GB1_5 N_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 289 + CD1_GB1_5 N_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 289 CD1_GB1_5 CA_GB1_34 1 1.338513e-02 2.492404e-04 ; 5.148326e-01 1.797076e-01 3.685387e-02 4.744224e-04 0.004395 0.010759 True md_ensemble 7 45 291 CD1_GB1_5 CB_GB1_34 1 9.325217e-03 8.453197e-05 ; 4.566257e-01 2.571799e-01 1.654407e-01 7.621336e-04 0.004395 0.020717 True md_ensemble 7 45 292 - CD1_GB1_5 C_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 293 + CD1_GB1_5 C_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 293 CD1_GB1_5 O_GB1_34 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 294 - CD1_GB1_5 N_GB1_35 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 295 - CD1_GB1_5 CG_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 299 + CD1_GB1_5 N_GB1_35 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 295 + CD1_GB1_5 CG_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 299 CD1_GB1_5 OD1_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 300 - CD1_GB1_5 ND2_GB1_35 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 301 - CD1_GB1_5 C_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 302 + CD1_GB1_5 ND2_GB1_35 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 301 + CD1_GB1_5 C_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 302 CD1_GB1_5 O_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 303 - CD1_GB1_5 N_GB1_36 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 304 - CD1_GB1_5 CG_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 308 + CD1_GB1_5 N_GB1_36 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 304 + CD1_GB1_5 CG_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 308 CD1_GB1_5 OD1_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 309 CD1_GB1_5 OD2_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 310 - CD1_GB1_5 C_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 311 + CD1_GB1_5 C_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 311 CD1_GB1_5 O_GB1_36 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 312 - CD1_GB1_5 N_GB1_37 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 313 - CD1_GB1_5 CG_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 317 + CD1_GB1_5 N_GB1_37 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 313 + CD1_GB1_5 CG_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 317 CD1_GB1_5 OD1_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 318 - CD1_GB1_5 ND2_GB1_37 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 319 - CD1_GB1_5 C_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 320 + CD1_GB1_5 ND2_GB1_37 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 319 + CD1_GB1_5 C_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 320 CD1_GB1_5 O_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 321 - CD1_GB1_5 N_GB1_38 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 322 - CD1_GB1_5 C_GB1_38 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 325 + CD1_GB1_5 N_GB1_38 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 322 + CD1_GB1_5 C_GB1_38 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 325 CD1_GB1_5 O_GB1_38 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 326 - CD1_GB1_5 N_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 327 - CD1_GB1_5 C_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 333 + CD1_GB1_5 N_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 327 + CD1_GB1_5 C_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 333 CD1_GB1_5 O_GB1_39 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 334 - CD1_GB1_5 N_GB1_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 335 - CD1_GB1_5 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 339 + CD1_GB1_5 N_GB1_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 335 + CD1_GB1_5 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 339 CD1_GB1_5 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 340 CD1_GB1_5 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 341 - CD1_GB1_5 C_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 342 + CD1_GB1_5 C_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 342 CD1_GB1_5 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 343 - CD1_GB1_5 N_GB1_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 344 - CD1_GB1_5 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 347 + CD1_GB1_5 N_GB1_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 344 + CD1_GB1_5 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 347 CD1_GB1_5 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 348 - CD1_GB1_5 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 349 - CD1_GB1_5 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 354 + CD1_GB1_5 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 349 + CD1_GB1_5 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 354 CD1_GB1_5 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 355 CD1_GB1_5 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 356 - CD1_GB1_5 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 357 + CD1_GB1_5 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 357 CD1_GB1_5 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 358 - CD1_GB1_5 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 359 + CD1_GB1_5 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 359 CD1_GB1_5 CD2_GB1_43 1 6.716638e-03 4.492395e-05 ; 4.340646e-01 2.510533e-01 1.469160e-01 4.000658e-04 0.004395 0.020719 True md_ensemble 7 45 365 - CD1_GB1_5 NE1_GB1_43 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 366 + CD1_GB1_5 NE1_GB1_43 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 366 CD1_GB1_5 CE2_GB1_43 1 6.447468e-03 4.038446e-05 ; 4.293428e-01 2.573381e-01 1.659489e-01 4.295490e-04 0.004395 0.020719 True md_ensemble 7 45 367 CD1_GB1_5 CE3_GB1_43 1 5.615471e-03 2.387774e-05 ; 4.025018e-01 3.301560e-01 6.806973e-01 8.030045e-04 0.004395 0.020719 True md_ensemble 7 45 368 CD1_GB1_5 CZ2_GB1_43 1 5.622845e-03 2.393546e-05 ; 4.025757e-01 3.302254e-01 6.816126e-01 6.622922e-04 0.004395 0.020719 True md_ensemble 7 45 369 CD1_GB1_5 CZ3_GB1_43 1 1.801068e-03 2.347182e-06 ; 3.304985e-01 3.455041e-01 9.165452e-01 9.654659e-04 0.004395 0.020719 True md_ensemble 7 45 370 CD1_GB1_5 CH2_GB1_43 1 2.121843e-03 3.247693e-06 ; 3.394770e-01 3.465703e-01 9.356836e-01 1.077996e-03 0.004395 0.020719 True md_ensemble 7 45 371 - CD1_GB1_5 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 372 + CD1_GB1_5 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 372 CD1_GB1_5 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 373 - CD1_GB1_5 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 374 - CD1_GB1_5 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 378 - CD1_GB1_5 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 380 + CD1_GB1_5 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 374 + CD1_GB1_5 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 378 + CD1_GB1_5 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 380 CD1_GB1_5 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 381 - CD1_GB1_5 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 382 - CD1_GB1_5 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 392 - CD1_GB1_5 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 393 + CD1_GB1_5 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 382 + CD1_GB1_5 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 392 + CD1_GB1_5 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 393 CD1_GB1_5 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 394 - CD1_GB1_5 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 395 - CD1_GB1_5 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 399 + CD1_GB1_5 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 395 + CD1_GB1_5 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 399 CD1_GB1_5 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 400 CD1_GB1_5 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 401 - CD1_GB1_5 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 402 + CD1_GB1_5 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 402 CD1_GB1_5 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 403 - CD1_GB1_5 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 404 - CD1_GB1_5 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 408 + CD1_GB1_5 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 404 + CD1_GB1_5 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 408 CD1_GB1_5 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 409 CD1_GB1_5 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 410 - CD1_GB1_5 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 411 + CD1_GB1_5 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 411 CD1_GB1_5 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 412 - CD1_GB1_5 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 413 - CD1_GB1_5 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 417 + CD1_GB1_5 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 413 + CD1_GB1_5 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 417 CD1_GB1_5 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 418 - CD1_GB1_5 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 419 - CD1_GB1_5 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 423 - CD1_GB1_5 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 425 + CD1_GB1_5 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 419 + CD1_GB1_5 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 423 + CD1_GB1_5 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 425 CD1_GB1_5 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 426 - CD1_GB1_5 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 427 - CD1_GB1_5 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 434 - CD1_GB1_5 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 435 + CD1_GB1_5 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 427 + CD1_GB1_5 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 434 + CD1_GB1_5 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 435 CD1_GB1_5 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 436 - CD1_GB1_5 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 437 - CD1_GB1_5 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 441 - CD1_GB1_5 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 443 + CD1_GB1_5 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 437 + CD1_GB1_5 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 441 + CD1_GB1_5 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 443 CD1_GB1_5 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 444 CD1_GB1_5 N_GB1_52 1 2.269131e-03 1.626129e-05 ; 4.390857e-01 7.915967e-02 5.248955e-03 0.000000e+00 0.004395 0.001132 True md_ensemble 7 45 445 CD1_GB1_5 CA_GB1_52 1 7.954960e-03 4.520542e-05 ; 4.224339e-01 3.499658e-01 9.993365e-01 2.999976e-04 0.004395 0.010759 True md_ensemble 7 45 447 @@ -7866,7 +7866,7 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CD1_GB1_5 N_GB1_53 1 3.910458e-03 1.328351e-05 ; 3.877164e-01 2.877944e-01 2.994708e-01 9.998853e-05 0.004395 0.001132 True md_ensemble 7 45 457 CD1_GB1_5 CA_GB1_53 1 8.721960e-03 5.526181e-05 ; 4.301651e-01 3.441463e-01 8.927368e-01 1.999246e-04 0.004395 0.010759 True md_ensemble 7 45 459 CD1_GB1_5 CB_GB1_53 1 1.340006e-02 2.294488e-04 ; 5.076875e-01 1.956446e-01 5.019261e-02 2.514695e-04 0.004395 0.010759 True md_ensemble 7 45 460 - CD1_GB1_5 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 461 + CD1_GB1_5 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 461 CD1_GB1_5 C_GB1_53 1 4.558926e-03 1.778185e-05 ; 3.967519e-01 2.922054e-01 3.262016e-01 2.225067e-04 0.004395 0.001132 True md_ensemble 7 45 463 CD1_GB1_5 O_GB1_53 1 1.664197e-03 6.612914e-06 ; 3.979832e-01 1.047024e-01 8.611732e-03 1.999660e-04 0.004395 0.007862 True md_ensemble 7 45 464 CD1_GB1_5 N_GB1_54 1 3.323037e-03 8.671891e-06 ; 3.710477e-01 3.183438e-01 5.414010e-01 0.000000e+00 0.004395 0.001132 True md_ensemble 7 45 465 @@ -7874,23 +7874,23 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CD1_GB1_5 CB_GB1_54 1 5.101927e-03 1.859329e-05 ; 3.922868e-01 3.499874e-01 9.997550e-01 2.001047e-04 0.004395 0.010759 True md_ensemble 7 45 468 CD1_GB1_5 CG1_GB1_54 1 2.124030e-03 3.763020e-06 ; 3.478532e-01 2.997262e-01 3.773952e-01 5.082870e-04 0.004395 0.020717 True md_ensemble 7 45 469 CD1_GB1_5 CG2_GB1_54 1 1.420432e-03 1.495514e-06 ; 3.189542e-01 3.372799e-01 7.814889e-01 2.087843e-04 0.004395 0.020717 True md_ensemble 7 45 470 - CD1_GB1_5 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 471 + CD1_GB1_5 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 471 CD1_GB1_5 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 472 - CD1_GB1_5 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 473 - CD1_GB1_5 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 477 - CD1_GB1_5 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 479 + CD1_GB1_5 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 473 + CD1_GB1_5 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 477 + CD1_GB1_5 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 479 CD1_GB1_5 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 480 - CD1_GB1_5 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 481 - CD1_GB1_5 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 486 + CD1_GB1_5 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 481 + CD1_GB1_5 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 486 CD1_GB1_5 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 487 CD1_GB1_5 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 488 - CD1_GB1_5 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 489 + CD1_GB1_5 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 489 CD1_GB1_5 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 490 CD1_GB1_5 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 45 491 - CD2_GB1_5 C_GB1_5 1 0.000000e+00 4.709030e-06 ; 3.205575e-01 -4.709030e-06 9.999907e-01 9.963756e-01 0.004395 0.001132 True md_ensemble 4 46 47 + CD2_GB1_5 C_GB1_5 1 0.000000e+00 4.708969e-06 ; 3.205572e-01 -4.708969e-06 9.999907e-01 9.963756e-01 0.004395 0.001132 True md_ensemble 4 46 47 CD2_GB1_5 O_GB1_5 1 0.000000e+00 8.000386e-07 ; 2.765376e-01 -8.000386e-07 6.914781e-01 2.234216e-01 0.004395 0.001132 True md_ensemble 5 46 48 - CD2_GB1_5 N_GB1_6 1 0.000000e+00 2.626361e-06 ; 3.053336e-01 -2.626361e-06 4.974635e-01 4.549669e-01 0.004395 0.001132 True md_ensemble 5 46 49 - CD2_GB1_5 CA_GB1_6 1 0.000000e+00 9.841539e-06 ; 3.408659e-01 -9.841539e-06 8.179295e-01 2.325211e-01 0.004395 0.001132 True md_ensemble 6 46 51 + CD2_GB1_5 N_GB1_6 1 0.000000e+00 2.626336e-06 ; 3.053333e-01 -2.626336e-06 4.974635e-01 4.549669e-01 0.004395 0.001132 True md_ensemble 5 46 49 + CD2_GB1_5 CA_GB1_6 1 0.000000e+00 9.841533e-06 ; 3.408659e-01 -9.841533e-06 8.179295e-01 2.325211e-01 0.004395 0.001132 True md_ensemble 6 46 51 CD2_GB1_5 C_GB1_6 1 2.359897e-03 1.059088e-05 ; 4.061376e-01 1.314601e-01 2.127318e-01 1.664195e-02 0.004395 0.001132 True md_ensemble 7 46 56 CD2_GB1_5 O_GB1_6 1 4.623136e-04 7.533015e-07 ; 3.430352e-01 7.093237e-02 1.534176e-02 2.695043e-02 0.004395 0.007862 True md_ensemble 7 46 57 CD2_GB1_5 N_GB1_7 1 1.170898e-03 4.127710e-06 ; 3.901201e-01 8.303656e-02 1.120414e-01 2.240675e-02 0.004395 0.001132 True md_ensemble 7 46 58 @@ -7899,38 +7899,38 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CD2_GB1_5 CG_GB1_7 1 1.965815e-03 4.021523e-06 ; 3.562936e-01 2.402342e-01 9.901191e-01 8.942323e-02 0.004395 0.010759 True md_ensemble 7 46 62 CD2_GB1_5 CD1_GB1_7 1 2.336049e-03 4.634790e-06 ; 3.544797e-01 2.943566e-01 9.501321e-01 5.787905e-02 0.004395 0.020717 True md_ensemble 7 46 63 CD2_GB1_5 CD2_GB1_7 1 1.975122e-03 3.079440e-06 ; 3.405229e-01 3.167060e-01 9.261236e-01 3.658220e-02 0.004395 0.020717 True md_ensemble 7 46 64 - CD2_GB1_5 C_GB1_7 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 65 + CD2_GB1_5 C_GB1_7 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 65 CD2_GB1_5 O_GB1_7 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 66 - CD2_GB1_5 N_GB1_8 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 67 - CD2_GB1_5 CG_GB1_8 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 71 + CD2_GB1_5 N_GB1_8 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 67 + CD2_GB1_5 CG_GB1_8 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 71 CD2_GB1_5 OD1_GB1_8 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 72 - CD2_GB1_5 ND2_GB1_8 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 73 - CD2_GB1_5 C_GB1_8 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 74 + CD2_GB1_5 ND2_GB1_8 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 73 + CD2_GB1_5 C_GB1_8 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 74 CD2_GB1_5 O_GB1_8 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 75 - CD2_GB1_5 N_GB1_9 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 76 - CD2_GB1_5 C_GB1_9 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 79 + CD2_GB1_5 N_GB1_9 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 76 + CD2_GB1_5 C_GB1_9 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 79 CD2_GB1_5 O_GB1_9 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 80 - CD2_GB1_5 N_GB1_10 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 81 - CD2_GB1_5 NZ_GB1_10 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 88 - CD2_GB1_5 C_GB1_10 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 89 + CD2_GB1_5 N_GB1_10 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 81 + CD2_GB1_5 NZ_GB1_10 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 88 + CD2_GB1_5 C_GB1_10 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 89 CD2_GB1_5 O_GB1_10 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 90 - CD2_GB1_5 N_GB1_11 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 91 - CD2_GB1_5 OG1_GB1_11 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 95 - CD2_GB1_5 C_GB1_11 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 97 + CD2_GB1_5 N_GB1_11 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 91 + CD2_GB1_5 OG1_GB1_11 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 95 + CD2_GB1_5 C_GB1_11 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 97 CD2_GB1_5 O_GB1_11 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 98 - CD2_GB1_5 N_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 99 - CD2_GB1_5 C_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 106 + CD2_GB1_5 N_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 99 + CD2_GB1_5 C_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 106 CD2_GB1_5 O_GB1_12 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 107 - CD2_GB1_5 N_GB1_13 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 108 - CD2_GB1_5 NZ_GB1_13 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 115 - CD2_GB1_5 C_GB1_13 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 116 + CD2_GB1_5 N_GB1_13 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 108 + CD2_GB1_5 NZ_GB1_13 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 115 + CD2_GB1_5 C_GB1_13 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 116 CD2_GB1_5 O_GB1_13 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 117 - CD2_GB1_5 N_GB1_14 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 118 - CD2_GB1_5 C_GB1_14 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 121 + CD2_GB1_5 N_GB1_14 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 118 + CD2_GB1_5 C_GB1_14 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 121 CD2_GB1_5 O_GB1_14 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 122 - CD2_GB1_5 N_GB1_15 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 123 + CD2_GB1_5 N_GB1_15 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 123 CD2_GB1_5 CA_GB1_15 1 1.310159e-02 2.031524e-04 ; 4.993630e-01 2.112350e-01 6.790155e-02 1.046450e-03 0.004395 0.010759 True md_ensemble 7 46 125 - CD2_GB1_5 CD_GB1_15 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 128 + CD2_GB1_5 CD_GB1_15 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 128 CD2_GB1_5 OE1_GB1_15 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 129 CD2_GB1_5 OE2_GB1_15 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 130 CD2_GB1_5 C_GB1_15 1 2.296887e-03 1.765930e-05 ; 4.442618e-01 7.468715e-02 4.813082e-03 2.906739e-04 0.004395 0.001132 True md_ensemble 7 46 131 @@ -7940,61 +7940,61 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CD2_GB1_5 CB_GB1_16 1 1.349435e-02 1.319189e-04 ; 4.624085e-01 3.450938e-01 9.092835e-01 2.723015e-03 0.004395 0.010759 True md_ensemble 7 46 136 CD2_GB1_5 OG1_GB1_16 1 1.192735e-03 3.019871e-06 ; 3.691822e-01 1.177713e-01 1.331840e-02 1.358489e-03 0.004395 0.001132 True md_ensemble 7 46 137 CD2_GB1_5 CG2_GB1_16 1 2.377839e-03 4.048021e-06 ; 3.455493e-01 3.491904e-01 9.844295e-01 2.305570e-03 0.004395 0.020717 True md_ensemble 7 46 138 - CD2_GB1_5 C_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 139 + CD2_GB1_5 C_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 139 CD2_GB1_5 O_GB1_16 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 140 - CD2_GB1_5 N_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 141 - CD2_GB1_5 OG1_GB1_17 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 145 - CD2_GB1_5 C_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 147 + CD2_GB1_5 N_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 141 + CD2_GB1_5 OG1_GB1_17 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 145 + CD2_GB1_5 C_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 147 CD2_GB1_5 O_GB1_17 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 148 - CD2_GB1_5 N_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 149 - CD2_GB1_5 OG1_GB1_18 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 153 - CD2_GB1_5 C_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 155 + CD2_GB1_5 N_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 149 + CD2_GB1_5 OG1_GB1_18 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 153 + CD2_GB1_5 C_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 155 CD2_GB1_5 O_GB1_18 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 156 - CD2_GB1_5 N_GB1_19 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 157 - CD2_GB1_5 CD_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 162 + CD2_GB1_5 N_GB1_19 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 157 + CD2_GB1_5 CD_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 162 CD2_GB1_5 OE1_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 163 CD2_GB1_5 OE2_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 164 - CD2_GB1_5 C_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 165 + CD2_GB1_5 C_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 165 CD2_GB1_5 O_GB1_19 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 166 - CD2_GB1_5 N_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 167 - CD2_GB1_5 C_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 171 + CD2_GB1_5 N_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 167 + CD2_GB1_5 C_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 171 CD2_GB1_5 O_GB1_20 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 172 - CD2_GB1_5 N_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 173 - CD2_GB1_5 C_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 179 + CD2_GB1_5 N_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 173 + CD2_GB1_5 C_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 179 CD2_GB1_5 O_GB1_21 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 180 - CD2_GB1_5 N_GB1_22 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 181 - CD2_GB1_5 CG_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 185 + CD2_GB1_5 N_GB1_22 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 181 + CD2_GB1_5 CG_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 185 CD2_GB1_5 OD1_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 186 CD2_GB1_5 OD2_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 187 - CD2_GB1_5 C_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 188 + CD2_GB1_5 C_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 188 CD2_GB1_5 O_GB1_22 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 189 - CD2_GB1_5 N_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 190 - CD2_GB1_5 C_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 194 + CD2_GB1_5 N_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 190 + CD2_GB1_5 C_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 194 CD2_GB1_5 O_GB1_23 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 195 - CD2_GB1_5 N_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 196 - CD2_GB1_5 C_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 200 + CD2_GB1_5 N_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 196 + CD2_GB1_5 C_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 200 CD2_GB1_5 O_GB1_24 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 201 - CD2_GB1_5 N_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 202 - CD2_GB1_5 OG1_GB1_25 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 206 - CD2_GB1_5 C_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 208 + CD2_GB1_5 N_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 202 + CD2_GB1_5 OG1_GB1_25 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 206 + CD2_GB1_5 C_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 208 CD2_GB1_5 O_GB1_25 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 209 - CD2_GB1_5 N_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 210 - CD2_GB1_5 C_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 214 + CD2_GB1_5 N_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 210 + CD2_GB1_5 C_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 214 CD2_GB1_5 O_GB1_26 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 215 - CD2_GB1_5 N_GB1_27 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 216 - CD2_GB1_5 CD_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 221 + CD2_GB1_5 N_GB1_27 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 216 + CD2_GB1_5 CD_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 221 CD2_GB1_5 OE1_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 222 CD2_GB1_5 OE2_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 223 - CD2_GB1_5 C_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 224 + CD2_GB1_5 C_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 224 CD2_GB1_5 O_GB1_27 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 225 - CD2_GB1_5 N_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 226 - CD2_GB1_5 NZ_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 233 - CD2_GB1_5 C_GB1_28 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 234 + CD2_GB1_5 N_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 226 + CD2_GB1_5 NZ_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 233 + CD2_GB1_5 C_GB1_28 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 234 CD2_GB1_5 O_GB1_28 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 235 - CD2_GB1_5 N_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 236 - CD2_GB1_5 C_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 242 + CD2_GB1_5 N_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 236 + CD2_GB1_5 C_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 242 CD2_GB1_5 O_GB1_29 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 243 - CD2_GB1_5 N_GB1_30 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 244 + CD2_GB1_5 N_GB1_30 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 244 CD2_GB1_5 CA_GB1_30 1 4.106588e-03 1.204985e-05 ; 3.783700e-01 3.498813e-01 9.977025e-01 3.999147e-04 0.004395 0.010759 True md_ensemble 7 46 246 CD2_GB1_5 CB_GB1_30 1 2.346942e-03 3.935234e-06 ; 3.446762e-01 3.499245e-01 9.985377e-01 3.274383e-04 0.004395 0.012151 True md_ensemble 7 46 247 CD2_GB1_5 CG_GB1_30 1 2.614087e-03 4.882836e-06 ; 3.509339e-01 3.498711e-01 9.975044e-01 2.614173e-04 0.004395 0.020719 True md_ensemble 7 46 248 @@ -8005,18 +8005,18 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CD2_GB1_5 CZ_GB1_30 1 8.761411e-03 6.547933e-05 ; 4.421691e-01 2.930784e-01 3.317690e-01 6.189985e-04 0.004395 0.020719 True md_ensemble 7 46 253 CD2_GB1_5 C_GB1_30 1 5.187387e-03 1.940370e-05 ; 3.939937e-01 3.466992e-01 9.380245e-01 1.257705e-04 0.004395 0.001132 True md_ensemble 7 46 254 CD2_GB1_5 O_GB1_30 1 1.771835e-03 2.264447e-06 ; 3.294249e-01 3.465966e-01 9.361603e-01 1.825547e-05 0.004395 0.007862 True md_ensemble 7 46 255 - CD2_GB1_5 N_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 256 + CD2_GB1_5 N_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 256 CD2_GB1_5 CA_GB1_31 1 1.202032e-02 2.387816e-04 ; 5.204122e-01 1.512763e-01 2.123971e-02 6.485228e-04 0.004395 0.010759 True md_ensemble 7 46 258 - CD2_GB1_5 NZ_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 263 - CD2_GB1_5 C_GB1_31 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 264 + CD2_GB1_5 NZ_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 263 + CD2_GB1_5 C_GB1_31 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 264 CD2_GB1_5 O_GB1_31 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 265 - CD2_GB1_5 N_GB1_32 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 266 - CD2_GB1_5 CD_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 271 + CD2_GB1_5 N_GB1_32 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 266 + CD2_GB1_5 CD_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 271 CD2_GB1_5 OE1_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 272 - CD2_GB1_5 NE2_GB1_32 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 273 - CD2_GB1_5 C_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 274 + CD2_GB1_5 NE2_GB1_32 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 273 + CD2_GB1_5 C_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 274 CD2_GB1_5 O_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 275 - CD2_GB1_5 N_GB1_33 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 276 + CD2_GB1_5 N_GB1_33 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 276 CD2_GB1_5 CA_GB1_33 1 1.597794e-02 1.952895e-04 ; 4.799467e-01 3.268153e-01 6.380165e-01 2.000653e-04 0.004395 0.010759 True md_ensemble 7 46 278 CD2_GB1_5 CB_GB1_33 1 4.177786e-03 1.261579e-05 ; 3.801848e-01 3.458739e-01 9.231371e-01 4.871102e-05 0.004395 0.012151 True md_ensemble 7 46 279 CD2_GB1_5 CG_GB1_33 1 4.759107e-03 1.678187e-05 ; 3.901388e-01 3.374043e-01 7.833753e-01 9.987802e-05 0.004395 0.020719 True md_ensemble 7 46 280 @@ -8025,150 +8025,150 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CD2_GB1_5 CE1_GB1_33 1 3.098804e-03 7.629336e-06 ; 3.674645e-01 3.146600e-01 5.040907e-01 3.002974e-04 0.004395 0.020719 True md_ensemble 7 46 283 CD2_GB1_5 CE2_GB1_33 1 3.098804e-03 7.629336e-06 ; 3.674645e-01 3.146600e-01 5.040907e-01 3.002974e-04 0.004395 0.020719 True md_ensemble 7 46 284 CD2_GB1_5 CZ_GB1_33 1 5.699419e-03 3.861021e-05 ; 4.349893e-01 2.103289e-01 6.671946e-02 5.349662e-04 0.004395 0.020719 True md_ensemble 7 46 285 - CD2_GB1_5 OH_GB1_33 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 286 + CD2_GB1_5 OH_GB1_33 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 286 CD2_GB1_5 C_GB1_33 1 7.563232e-03 5.290705e-05 ; 4.373217e-01 2.702971e-01 2.133353e-01 0.000000e+00 0.004395 0.001132 True md_ensemble 7 46 287 CD2_GB1_5 O_GB1_33 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 288 CD2_GB1_5 N_GB1_34 1 5.425612e-03 2.464376e-05 ; 4.069518e-01 2.986281e-01 3.694473e-01 0.000000e+00 0.004395 0.001132 True md_ensemble 7 46 289 CD2_GB1_5 CA_GB1_34 1 1.351391e-02 1.341573e-04 ; 4.635952e-01 3.403200e-01 8.289220e-01 3.216073e-04 0.004395 0.010759 True md_ensemble 7 46 291 CD2_GB1_5 CB_GB1_34 1 7.300431e-03 4.035513e-05 ; 4.204926e-01 3.301705e-01 6.808883e-01 5.966630e-04 0.004395 0.020717 True md_ensemble 7 46 292 - CD2_GB1_5 C_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 293 + CD2_GB1_5 C_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 293 CD2_GB1_5 O_GB1_34 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 294 - CD2_GB1_5 N_GB1_35 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 295 - CD2_GB1_5 CG_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 299 + CD2_GB1_5 N_GB1_35 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 295 + CD2_GB1_5 CG_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 299 CD2_GB1_5 OD1_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 300 - CD2_GB1_5 ND2_GB1_35 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 301 - CD2_GB1_5 C_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 302 + CD2_GB1_5 ND2_GB1_35 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 301 + CD2_GB1_5 C_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 302 CD2_GB1_5 O_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 303 - CD2_GB1_5 N_GB1_36 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 304 - CD2_GB1_5 CG_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 308 + CD2_GB1_5 N_GB1_36 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 304 + CD2_GB1_5 CG_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 308 CD2_GB1_5 OD1_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 309 CD2_GB1_5 OD2_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 310 - CD2_GB1_5 C_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 311 + CD2_GB1_5 C_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 311 CD2_GB1_5 O_GB1_36 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 312 - CD2_GB1_5 N_GB1_37 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 313 - CD2_GB1_5 CG_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 317 + CD2_GB1_5 N_GB1_37 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 313 + CD2_GB1_5 CG_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 317 CD2_GB1_5 OD1_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 318 - CD2_GB1_5 ND2_GB1_37 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 319 - CD2_GB1_5 C_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 320 + CD2_GB1_5 ND2_GB1_37 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 319 + CD2_GB1_5 C_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 320 CD2_GB1_5 O_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 321 - CD2_GB1_5 N_GB1_38 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 322 - CD2_GB1_5 C_GB1_38 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 325 + CD2_GB1_5 N_GB1_38 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 322 + CD2_GB1_5 C_GB1_38 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 325 CD2_GB1_5 O_GB1_38 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 326 - CD2_GB1_5 N_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 327 - CD2_GB1_5 C_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 333 + CD2_GB1_5 N_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 327 + CD2_GB1_5 C_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 333 CD2_GB1_5 O_GB1_39 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 334 - CD2_GB1_5 N_GB1_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 335 - CD2_GB1_5 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 339 + CD2_GB1_5 N_GB1_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 335 + CD2_GB1_5 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 339 CD2_GB1_5 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 340 CD2_GB1_5 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 341 - CD2_GB1_5 C_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 342 + CD2_GB1_5 C_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 342 CD2_GB1_5 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 343 - CD2_GB1_5 N_GB1_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 344 - CD2_GB1_5 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 347 + CD2_GB1_5 N_GB1_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 344 + CD2_GB1_5 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 347 CD2_GB1_5 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 348 - CD2_GB1_5 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 349 - CD2_GB1_5 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 354 + CD2_GB1_5 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 349 + CD2_GB1_5 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 354 CD2_GB1_5 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 355 CD2_GB1_5 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 356 - CD2_GB1_5 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 357 + CD2_GB1_5 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 357 CD2_GB1_5 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 358 - CD2_GB1_5 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 359 - CD2_GB1_5 NE1_GB1_43 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 366 + CD2_GB1_5 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 359 + CD2_GB1_5 NE1_GB1_43 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 366 CD2_GB1_5 CZ2_GB1_43 1 5.257523e-03 3.078713e-05 ; 4.245524e-01 2.244570e-01 8.773687e-02 4.157448e-04 0.004395 0.020719 True md_ensemble 7 46 369 CD2_GB1_5 CZ3_GB1_43 1 4.372115e-03 1.824638e-05 ; 4.012492e-01 2.619066e-01 1.813143e-01 5.043158e-04 0.004395 0.020719 True md_ensemble 7 46 370 CD2_GB1_5 CH2_GB1_43 1 4.242008e-03 1.452137e-05 ; 3.882154e-01 3.097956e-01 4.587334e-01 6.747491e-04 0.004395 0.020719 True md_ensemble 7 46 371 - CD2_GB1_5 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 372 + CD2_GB1_5 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 372 CD2_GB1_5 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 373 - CD2_GB1_5 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 374 - CD2_GB1_5 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 378 - CD2_GB1_5 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 380 + CD2_GB1_5 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 374 + CD2_GB1_5 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 378 + CD2_GB1_5 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 380 CD2_GB1_5 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 381 - CD2_GB1_5 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 382 - CD2_GB1_5 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 392 - CD2_GB1_5 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 393 + CD2_GB1_5 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 382 + CD2_GB1_5 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 392 + CD2_GB1_5 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 393 CD2_GB1_5 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 394 - CD2_GB1_5 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 395 - CD2_GB1_5 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 399 + CD2_GB1_5 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 395 + CD2_GB1_5 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 399 CD2_GB1_5 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 400 CD2_GB1_5 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 401 - CD2_GB1_5 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 402 + CD2_GB1_5 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 402 CD2_GB1_5 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 403 - CD2_GB1_5 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 404 - CD2_GB1_5 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 408 + CD2_GB1_5 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 404 + CD2_GB1_5 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 408 CD2_GB1_5 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 409 CD2_GB1_5 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 410 - CD2_GB1_5 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 411 + CD2_GB1_5 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 411 CD2_GB1_5 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 412 - CD2_GB1_5 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 413 - CD2_GB1_5 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 417 + CD2_GB1_5 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 413 + CD2_GB1_5 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 417 CD2_GB1_5 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 418 - CD2_GB1_5 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 419 - CD2_GB1_5 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 423 - CD2_GB1_5 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 425 + CD2_GB1_5 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 419 + CD2_GB1_5 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 423 + CD2_GB1_5 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 425 CD2_GB1_5 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 426 - CD2_GB1_5 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 427 - CD2_GB1_5 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 434 - CD2_GB1_5 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 435 + CD2_GB1_5 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 427 + CD2_GB1_5 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 434 + CD2_GB1_5 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 435 CD2_GB1_5 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 436 - CD2_GB1_5 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 437 - CD2_GB1_5 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 441 - CD2_GB1_5 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 443 + CD2_GB1_5 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 437 + CD2_GB1_5 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 441 + CD2_GB1_5 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 443 CD2_GB1_5 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 444 - CD2_GB1_5 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 445 + CD2_GB1_5 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 445 CD2_GB1_5 CB_GB1_52 1 9.292019e-03 1.234730e-04 ; 4.866802e-01 1.748189e-01 3.352197e-02 4.000017e-04 0.004395 0.012151 True md_ensemble 7 46 448 - CD2_GB1_5 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 455 + CD2_GB1_5 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 455 CD2_GB1_5 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 456 - CD2_GB1_5 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 457 - CD2_GB1_5 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 461 - CD2_GB1_5 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 463 + CD2_GB1_5 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 457 + CD2_GB1_5 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 461 + CD2_GB1_5 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 463 CD2_GB1_5 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 464 - CD2_GB1_5 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 465 + CD2_GB1_5 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 465 CD2_GB1_5 CA_GB1_54 1 7.237694e-03 1.209674e-04 ; 5.056438e-01 1.082610e-01 9.226715e-03 5.601875e-04 0.004395 0.010759 True md_ensemble 7 46 467 CD2_GB1_5 CB_GB1_54 1 1.508236e-02 1.965203e-04 ; 4.850908e-01 2.893817e-01 3.088279e-01 8.076209e-04 0.004395 0.010759 True md_ensemble 7 46 468 CD2_GB1_5 CG1_GB1_54 1 4.253927e-03 1.655470e-05 ; 3.966023e-01 2.732743e-01 2.260088e-01 5.291564e-04 0.004395 0.020717 True md_ensemble 7 46 469 CD2_GB1_5 CG2_GB1_54 1 7.614333e-03 5.054802e-05 ; 4.335229e-01 2.867475e-01 2.934554e-01 7.996537e-04 0.004395 0.020717 True md_ensemble 7 46 470 - CD2_GB1_5 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 471 + CD2_GB1_5 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 471 CD2_GB1_5 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 472 - CD2_GB1_5 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 473 - CD2_GB1_5 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 477 - CD2_GB1_5 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 479 + CD2_GB1_5 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 473 + CD2_GB1_5 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 477 + CD2_GB1_5 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 479 CD2_GB1_5 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 480 - CD2_GB1_5 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 481 - CD2_GB1_5 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 486 + CD2_GB1_5 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 481 + CD2_GB1_5 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 486 CD2_GB1_5 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 487 CD2_GB1_5 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 488 - CD2_GB1_5 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 489 + CD2_GB1_5 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 489 CD2_GB1_5 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 490 CD2_GB1_5 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 46 491 - C_GB1_5 CB_GB1_6 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 52 - C_GB1_5 CG1_GB1_6 1 0.000000e+00 6.332564e-06 ; 3.285690e-01 -6.332564e-06 9.999917e-01 9.997712e-01 0.004395 0.001132 True md_ensemble 4 47 53 - C_GB1_5 CG2_GB1_6 1 0.000000e+00 4.658968e-06 ; 3.202721e-01 -4.658968e-06 9.986572e-01 9.844493e-01 0.004395 0.001132 True md_ensemble 4 47 54 - C_GB1_5 CD_GB1_6 1 0.000000e+00 2.953838e-06 ; 3.083381e-01 -2.953838e-06 6.905394e-01 3.155428e-01 0.004395 0.001132 True md_ensemble 5 47 55 - C_GB1_5 O_GB1_6 1 0.000000e+00 7.454598e-07 ; 2.749141e-01 -7.454598e-07 9.992009e-01 9.006656e-01 0.004395 0.001132 True md_ensemble 4 47 57 - C_GB1_5 N_GB1_7 1 0.000000e+00 1.467429e-06 ; 2.908761e-01 -1.467429e-06 9.999866e-01 9.729869e-01 0.004395 0.001132 True md_ensemble 4 47 58 - C_GB1_5 CA_GB1_7 1 0.000000e+00 1.137212e-05 ; 3.449969e-01 -1.137212e-05 9.749589e-01 8.462615e-01 0.004395 0.001132 True md_ensemble 5 47 60 - C_GB1_5 CB_GB1_7 1 0.000000e+00 6.668596e-06 ; 3.299878e-01 -6.668596e-06 1.209409e-01 1.737728e-01 0.004395 0.001132 True md_ensemble 6 47 61 - C_GB1_5 CG_GB1_7 1 0.000000e+00 8.921297e-06 ; 3.380887e-01 -8.921297e-06 6.163277e-01 2.998543e-01 0.004395 0.001132 True md_ensemble 7 47 62 - C_GB1_5 CD1_GB1_7 1 0.000000e+00 4.191881e-06 ; 3.174649e-01 -4.191881e-06 1.522552e-01 3.921637e-02 0.004395 0.001132 True md_ensemble 7 47 63 - C_GB1_5 CD2_GB1_7 1 0.000000e+00 5.034894e-06 ; 3.223499e-01 -5.034894e-06 2.283049e-02 8.816491e-02 0.004395 0.001132 True md_ensemble 7 47 64 + C_GB1_5 CB_GB1_6 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 52 + C_GB1_5 CG1_GB1_6 1 0.000000e+00 6.332458e-06 ; 3.285686e-01 -6.332458e-06 9.999917e-01 9.997712e-01 0.004395 0.001132 True md_ensemble 4 47 53 + C_GB1_5 CG2_GB1_6 1 0.000000e+00 4.658907e-06 ; 3.202718e-01 -4.658907e-06 9.986572e-01 9.844493e-01 0.004395 0.001132 True md_ensemble 4 47 54 + C_GB1_5 CD_GB1_6 1 0.000000e+00 2.953800e-06 ; 3.083378e-01 -2.953800e-06 6.905394e-01 3.155428e-01 0.004395 0.001132 True md_ensemble 5 47 55 + C_GB1_5 O_GB1_6 1 0.000000e+00 7.454564e-07 ; 2.749140e-01 -7.454564e-07 9.992009e-01 9.006656e-01 0.004395 0.001132 True md_ensemble 4 47 57 + C_GB1_5 N_GB1_7 1 0.000000e+00 1.467409e-06 ; 2.908758e-01 -1.467409e-06 9.999866e-01 9.729869e-01 0.004395 0.001132 True md_ensemble 4 47 58 + C_GB1_5 CA_GB1_7 1 0.000000e+00 1.137206e-05 ; 3.449967e-01 -1.137206e-05 9.749589e-01 8.462615e-01 0.004395 0.001132 True md_ensemble 5 47 60 + C_GB1_5 CB_GB1_7 1 0.000000e+00 6.668484e-06 ; 3.299873e-01 -6.668484e-06 1.209409e-01 1.737728e-01 0.004395 0.001132 True md_ensemble 6 47 61 + C_GB1_5 CG_GB1_7 1 0.000000e+00 8.921251e-06 ; 3.380886e-01 -8.921251e-06 6.163277e-01 2.998543e-01 0.004395 0.001132 True md_ensemble 7 47 62 + C_GB1_5 CD1_GB1_7 1 0.000000e+00 4.191826e-06 ; 3.174646e-01 -4.191826e-06 1.522552e-01 3.921637e-02 0.004395 0.001132 True md_ensemble 7 47 63 + C_GB1_5 CD2_GB1_7 1 0.000000e+00 5.034828e-06 ; 3.223495e-01 -5.034828e-06 2.283049e-02 8.816491e-02 0.004395 0.001132 True md_ensemble 7 47 64 C_GB1_5 C_GB1_7 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 0.000000e+00 1.114331e-01 0.004395 0.001132 True md_ensemble 6 47 65 - C_GB1_5 CB_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 70 - C_GB1_5 CA_GB1_9 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 78 - C_GB1_5 CB_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 84 - C_GB1_5 CG_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 85 - C_GB1_5 CD_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 86 - C_GB1_5 CE_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 87 - C_GB1_5 CB_GB1_11 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 94 - C_GB1_5 CG2_GB1_11 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 96 - C_GB1_5 CB_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 102 - C_GB1_5 CG_GB1_12 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 103 - C_GB1_5 CD1_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 104 - C_GB1_5 CD2_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 105 - C_GB1_5 CB_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 111 - C_GB1_5 CG_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 112 - C_GB1_5 CD_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 113 - C_GB1_5 CE_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 114 - C_GB1_5 CA_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 120 + C_GB1_5 CB_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 70 + C_GB1_5 CA_GB1_9 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 78 + C_GB1_5 CB_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 84 + C_GB1_5 CG_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 85 + C_GB1_5 CD_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 86 + C_GB1_5 CE_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 87 + C_GB1_5 CB_GB1_11 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 94 + C_GB1_5 CG2_GB1_11 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 96 + C_GB1_5 CB_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 102 + C_GB1_5 CG_GB1_12 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 103 + C_GB1_5 CD1_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 104 + C_GB1_5 CD2_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 105 + C_GB1_5 CB_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 111 + C_GB1_5 CG_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 112 + C_GB1_5 CD_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 113 + C_GB1_5 CE_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 114 + C_GB1_5 CA_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 120 C_GB1_5 O_GB1_14 1 2.584148e-03 8.017034e-06 ; 3.818998e-01 2.082385e-01 6.407003e-02 1.065908e-04 0.004395 0.011584 True md_ensemble 7 47 122 C_GB1_5 CA_GB1_15 1 5.329746e-03 2.029014e-05 ; 3.951510e-01 3.500000e-01 1.000000e+00 0.000000e+00 0.004395 0.008482 True md_ensemble 7 47 125 C_GB1_5 CB_GB1_15 1 6.789266e-03 3.448170e-05 ; 4.145984e-01 3.341927e-01 7.360955e-01 1.000275e-04 0.004395 0.001132 True md_ensemble 7 47 126 @@ -8180,92 +8180,92 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 C_GB1_5 CG2_GB1_16 1 7.828088e-03 4.748462e-05 ; 4.270541e-01 3.226253e-01 5.882483e-01 5.692391e-04 0.004395 0.001132 True md_ensemble 7 47 138 C_GB1_5 C_GB1_16 1 7.760326e-03 4.517315e-05 ; 4.241310e-01 3.332880e-01 7.233001e-01 0.000000e+00 0.004395 0.011584 True md_ensemble 7 47 139 C_GB1_5 O_GB1_16 1 2.176607e-03 3.384744e-06 ; 3.403750e-01 3.499244e-01 9.985363e-01 1.989415e-07 0.004395 0.011584 True md_ensemble 7 47 140 - C_GB1_5 CB_GB1_17 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 144 - C_GB1_5 CG2_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 146 - C_GB1_5 CB_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 152 - C_GB1_5 CG2_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 154 - C_GB1_5 CB_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 160 - C_GB1_5 CG_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 161 - C_GB1_5 CB_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 170 - C_GB1_5 CB_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 176 - C_GB1_5 CG1_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 177 - C_GB1_5 CG2_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 178 - C_GB1_5 CB_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 184 - C_GB1_5 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 193 - C_GB1_5 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 199 - C_GB1_5 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 205 - C_GB1_5 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 207 - C_GB1_5 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 213 - C_GB1_5 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 219 - C_GB1_5 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 220 - C_GB1_5 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 229 - C_GB1_5 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 230 - C_GB1_5 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 231 - C_GB1_5 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 232 - C_GB1_5 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 239 - C_GB1_5 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 240 - C_GB1_5 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 241 - C_GB1_5 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 247 - C_GB1_5 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 259 - C_GB1_5 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 260 - C_GB1_5 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 261 - C_GB1_5 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 262 - C_GB1_5 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 269 - C_GB1_5 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 270 - C_GB1_5 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 279 - C_GB1_5 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 292 - C_GB1_5 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 298 - C_GB1_5 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 307 - C_GB1_5 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 316 - C_GB1_5 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 324 - C_GB1_5 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 330 - C_GB1_5 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 331 - C_GB1_5 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 332 - C_GB1_5 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 338 - C_GB1_5 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 346 - C_GB1_5 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 352 - C_GB1_5 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 353 - C_GB1_5 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 362 - C_GB1_5 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 377 - C_GB1_5 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 379 - C_GB1_5 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 385 - C_GB1_5 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 398 - C_GB1_5 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 407 - C_GB1_5 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 416 - C_GB1_5 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 422 - C_GB1_5 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 424 - C_GB1_5 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 430 - C_GB1_5 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 431 - C_GB1_5 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 432 - C_GB1_5 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 433 - C_GB1_5 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 440 + C_GB1_5 CB_GB1_17 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 144 + C_GB1_5 CG2_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 146 + C_GB1_5 CB_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 152 + C_GB1_5 CG2_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 154 + C_GB1_5 CB_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 160 + C_GB1_5 CG_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 161 + C_GB1_5 CB_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 170 + C_GB1_5 CB_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 176 + C_GB1_5 CG1_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 177 + C_GB1_5 CG2_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 178 + C_GB1_5 CB_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 184 + C_GB1_5 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 193 + C_GB1_5 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 199 + C_GB1_5 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 205 + C_GB1_5 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 207 + C_GB1_5 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 213 + C_GB1_5 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 219 + C_GB1_5 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 220 + C_GB1_5 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 229 + C_GB1_5 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 230 + C_GB1_5 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 231 + C_GB1_5 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 232 + C_GB1_5 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 239 + C_GB1_5 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 240 + C_GB1_5 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 241 + C_GB1_5 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 247 + C_GB1_5 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 259 + C_GB1_5 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 260 + C_GB1_5 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 261 + C_GB1_5 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 262 + C_GB1_5 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 269 + C_GB1_5 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 270 + C_GB1_5 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 279 + C_GB1_5 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 292 + C_GB1_5 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 298 + C_GB1_5 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 307 + C_GB1_5 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 316 + C_GB1_5 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 324 + C_GB1_5 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 330 + C_GB1_5 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 331 + C_GB1_5 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 332 + C_GB1_5 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 338 + C_GB1_5 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 346 + C_GB1_5 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 352 + C_GB1_5 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 353 + C_GB1_5 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 362 + C_GB1_5 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 377 + C_GB1_5 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 379 + C_GB1_5 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 385 + C_GB1_5 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 398 + C_GB1_5 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 407 + C_GB1_5 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 416 + C_GB1_5 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 422 + C_GB1_5 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 424 + C_GB1_5 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 430 + C_GB1_5 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 431 + C_GB1_5 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 432 + C_GB1_5 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 433 + C_GB1_5 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 440 C_GB1_5 CG2_GB1_51 1 8.422605e-03 5.898058e-05 ; 4.373983e-01 3.006934e-01 3.845370e-01 0.000000e+00 0.004395 0.001132 True md_ensemble 7 47 442 C_GB1_5 CA_GB1_52 1 1.782498e-02 2.316426e-04 ; 4.848770e-01 3.429097e-01 8.715938e-01 0.000000e+00 0.004395 0.008482 True md_ensemble 7 47 447 C_GB1_5 CB_GB1_52 1 1.167013e-02 1.153668e-04 ; 4.632700e-01 2.951281e-01 3.452153e-01 0.000000e+00 0.004395 0.001132 True md_ensemble 7 47 448 C_GB1_5 C_GB1_52 1 7.579734e-03 4.155509e-05 ; 4.199153e-01 3.456398e-01 9.189582e-01 0.000000e+00 0.004395 0.011584 True md_ensemble 7 47 455 C_GB1_5 O_GB1_52 1 1.372524e-03 1.345586e-06 ; 3.151848e-01 3.500000e-01 1.000000e+00 0.000000e+00 0.004395 0.011584 True md_ensemble 7 47 456 C_GB1_5 CA_GB1_53 1 1.673896e-02 2.308272e-04 ; 4.896958e-01 3.034659e-01 4.057675e-01 0.000000e+00 0.004395 0.008482 True md_ensemble 7 47 459 - C_GB1_5 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 460 - C_GB1_5 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 462 - C_GB1_5 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 468 - C_GB1_5 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 469 - C_GB1_5 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 470 - C_GB1_5 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 476 - C_GB1_5 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 478 - C_GB1_5 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 484 - C_GB1_5 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 485 + C_GB1_5 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 460 + C_GB1_5 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 462 + C_GB1_5 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 468 + C_GB1_5 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 469 + C_GB1_5 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 470 + C_GB1_5 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 476 + C_GB1_5 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 478 + C_GB1_5 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 484 + C_GB1_5 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 47 485 O_GB1_5 O_GB1_5 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 48 48 O_GB1_5 H_GB1_6 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 48 50 - O_GB1_5 CB_GB1_6 1 0.000000e+00 4.153500e-06 ; 3.172217e-01 -4.153500e-06 9.999988e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 48 52 - O_GB1_5 CG1_GB1_6 1 0.000000e+00 1.058216e-06 ; 2.830585e-01 -1.058216e-06 9.899835e-01 5.149816e-01 0.004395 0.001132 True md_ensemble 5 48 53 + O_GB1_5 CB_GB1_6 1 0.000000e+00 4.153532e-06 ; 3.172219e-01 -4.153532e-06 9.999988e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 48 52 + O_GB1_5 CG1_GB1_6 1 0.000000e+00 1.058212e-06 ; 2.830584e-01 -1.058212e-06 9.899835e-01 5.149816e-01 0.004395 0.001132 True md_ensemble 5 48 53 O_GB1_5 CG2_GB1_6 1 0.000000e+00 1.904043e-06 ; 2.972588e-01 -1.904043e-06 1.077333e-01 3.737263e-01 0.004395 0.001132 True md_ensemble 5 48 54 O_GB1_5 CD_GB1_6 1 0.000000e+00 1.303089e-06 ; 2.880113e-01 -1.303089e-06 2.440075e-01 1.104277e-01 0.004395 0.001132 True md_ensemble 6 48 55 - O_GB1_5 C_GB1_6 1 0.000000e+00 8.233525e-07 ; 2.772004e-01 -8.233525e-07 9.999936e-01 9.956519e-01 0.004395 0.001132 True md_ensemble 4 48 56 + O_GB1_5 C_GB1_6 1 0.000000e+00 8.233487e-07 ; 2.772003e-01 -8.233487e-07 9.999936e-01 9.956519e-01 0.004395 0.001132 True md_ensemble 4 48 56 O_GB1_5 O_GB1_6 1 0.000000e+00 1.680774e-06 ; 2.941852e-01 -1.680774e-06 6.978400e-01 8.183560e-01 0.004395 0.001132 True md_ensemble 5 48 57 O_GB1_5 N_GB1_7 1 0.000000e+00 1.367780e-06 ; 2.891765e-01 -1.367780e-06 9.950343e-01 9.068879e-01 0.004395 0.001132 True md_ensemble 5 48 58 - O_GB1_5 H_GB1_7 1 0.000000e+00 1.693417e-08 ; 2.005512e-01 -1.693417e-08 5.241528e-02 1.438016e-01 0.004395 0.001132 True md_ensemble 6 48 59 - O_GB1_5 CA_GB1_7 1 0.000000e+00 5.197137e-06 ; 3.232030e-01 -5.197137e-06 2.798305e-01 5.310991e-01 0.004395 0.001132 True md_ensemble 6 48 60 - O_GB1_5 CB_GB1_7 1 0.000000e+00 2.161134e-06 ; 3.004128e-01 -2.161134e-06 3.802770e-02 1.102018e-01 0.004395 0.007862 True md_ensemble 7 48 61 + O_GB1_5 H_GB1_7 1 0.000000e+00 1.693444e-08 ; 2.005515e-01 -1.693444e-08 5.241528e-02 1.438016e-01 0.004395 0.001132 True md_ensemble 6 48 59 + O_GB1_5 CA_GB1_7 1 0.000000e+00 5.197179e-06 ; 3.232032e-01 -5.197179e-06 2.798305e-01 5.310991e-01 0.004395 0.001132 True md_ensemble 6 48 60 + O_GB1_5 CB_GB1_7 1 0.000000e+00 2.161126e-06 ; 3.004127e-01 -2.161126e-06 3.802770e-02 1.102018e-01 0.004395 0.007862 True md_ensemble 7 48 61 O_GB1_5 CG_GB1_7 1 1.748359e-03 7.306632e-06 ; 4.013419e-01 1.045885e-01 2.893273e-01 2.647063e-01 0.004395 0.007862 True md_ensemble 7 48 62 O_GB1_5 CD1_GB1_7 1 7.637778e-04 9.630845e-07 ; 3.286873e-01 1.514292e-01 1.557335e-01 5.747147e-02 0.004395 0.007862 True md_ensemble 7 48 63 O_GB1_5 CD2_GB1_7 1 0.000000e+00 1.659972e-06 ; 2.938800e-01 -1.659972e-06 6.323445e-03 1.100343e-01 0.004395 0.007862 True md_ensemble 7 48 64 @@ -8491,149 +8491,149 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 O_GB1_5 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 48 488 O_GB1_5 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 48 490 O_GB1_5 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 48 491 - N_GB1_6 CB_GB1_6 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 52 - N_GB1_6 CG1_GB1_6 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 53 - N_GB1_6 CG2_GB1_6 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 54 - N_GB1_6 CD_GB1_6 1 0.000000e+00 2.593223e-06 ; 3.050106e-01 -2.593223e-06 9.920285e-01 9.374505e-01 0.004395 0.001132 True md_ensemble 4 49 55 - N_GB1_6 CA_GB1_7 1 0.000000e+00 7.574927e-06 ; 3.335108e-01 -7.574927e-06 1.000000e+00 9.999911e-01 0.004395 0.001132 True md_ensemble 4 49 60 - N_GB1_6 CB_GB1_7 1 0.000000e+00 4.372426e-06 ; 3.185825e-01 -4.372426e-06 6.500586e-02 2.544316e-01 0.004395 0.001132 True md_ensemble 5 49 61 - N_GB1_6 CG_GB1_7 1 0.000000e+00 5.895254e-06 ; 3.266156e-01 -5.895254e-06 5.105520e-01 2.888039e-01 0.004395 0.001132 True md_ensemble 6 49 62 - N_GB1_6 CD1_GB1_7 1 0.000000e+00 2.619322e-06 ; 3.052653e-01 -2.619322e-06 7.269207e-02 2.762925e-02 0.004395 0.001132 True md_ensemble 7 49 63 - N_GB1_6 CD2_GB1_7 1 0.000000e+00 2.797137e-06 ; 3.069407e-01 -2.797137e-06 1.318503e-02 3.294902e-02 0.004395 0.001132 True md_ensemble 7 49 64 + N_GB1_6 CB_GB1_6 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 52 + N_GB1_6 CG1_GB1_6 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 53 + N_GB1_6 CG2_GB1_6 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 54 + N_GB1_6 CD_GB1_6 1 0.000000e+00 2.593198e-06 ; 3.050104e-01 -2.593198e-06 9.920285e-01 9.374505e-01 0.004395 0.001132 True md_ensemble 4 49 55 + N_GB1_6 CA_GB1_7 1 0.000000e+00 7.574916e-06 ; 3.335107e-01 -7.574916e-06 1.000000e+00 9.999911e-01 0.004395 0.001132 True md_ensemble 4 49 60 + N_GB1_6 CB_GB1_7 1 0.000000e+00 4.372369e-06 ; 3.185821e-01 -4.372369e-06 6.500586e-02 2.544316e-01 0.004395 0.001132 True md_ensemble 5 49 61 + N_GB1_6 CG_GB1_7 1 0.000000e+00 5.895245e-06 ; 3.266155e-01 -5.895245e-06 5.105520e-01 2.888039e-01 0.004395 0.001132 True md_ensemble 6 49 62 + N_GB1_6 CD1_GB1_7 1 0.000000e+00 2.619297e-06 ; 3.052650e-01 -2.619297e-06 7.269207e-02 2.762925e-02 0.004395 0.001132 True md_ensemble 7 49 63 + N_GB1_6 CD2_GB1_7 1 0.000000e+00 2.797111e-06 ; 3.069405e-01 -2.797111e-06 1.318503e-02 3.294902e-02 0.004395 0.001132 True md_ensemble 7 49 64 N_GB1_6 C_GB1_7 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 0.000000e+00 6.985935e-02 0.004395 0.001132 True md_ensemble 5 49 65 N_GB1_6 O_GB1_7 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 0.000000e+00 1.113621e-01 0.004395 0.001132 True md_ensemble 6 49 66 N_GB1_6 N_GB1_8 1 0.000000e+00 8.752940e-07 ; 2.786171e-01 -8.752940e-07 0.000000e+00 4.434740e-02 0.004395 0.001132 True md_ensemble 6 49 67 - N_GB1_6 CB_GB1_8 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 70 + N_GB1_6 CB_GB1_8 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 70 N_GB1_6 N_GB1_9 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 2.173276e-03 0.004395 0.001132 True md_ensemble 7 49 76 - N_GB1_6 CA_GB1_9 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 78 + N_GB1_6 CA_GB1_9 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 78 N_GB1_6 N_GB1_10 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 49 81 - N_GB1_6 CB_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 84 - N_GB1_6 CG_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 85 - N_GB1_6 CD_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 86 - N_GB1_6 CE_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 87 + N_GB1_6 CB_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 84 + N_GB1_6 CG_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 85 + N_GB1_6 CD_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 86 + N_GB1_6 CE_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 87 N_GB1_6 NZ_GB1_10 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 7.709475e-04 0.004395 0.001132 True md_ensemble 7 49 88 N_GB1_6 N_GB1_11 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 49 91 - N_GB1_6 CB_GB1_11 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 94 - N_GB1_6 CG2_GB1_11 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 96 + N_GB1_6 CB_GB1_11 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 94 + N_GB1_6 CG2_GB1_11 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 96 N_GB1_6 N_GB1_12 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 49 99 - N_GB1_6 CB_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 102 - N_GB1_6 CG_GB1_12 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 103 - N_GB1_6 CD1_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 104 - N_GB1_6 CD2_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 105 + N_GB1_6 CB_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 102 + N_GB1_6 CG_GB1_12 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 103 + N_GB1_6 CD1_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 104 + N_GB1_6 CD2_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 105 N_GB1_6 N_GB1_13 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 49 108 - N_GB1_6 CB_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 111 - N_GB1_6 CG_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 112 - N_GB1_6 CD_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 113 - N_GB1_6 CE_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 114 + N_GB1_6 CB_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 111 + N_GB1_6 CG_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 112 + N_GB1_6 CD_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 113 + N_GB1_6 CE_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 114 N_GB1_6 NZ_GB1_13 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.285901e-04 0.004395 0.001132 True md_ensemble 7 49 115 N_GB1_6 N_GB1_14 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 9.982219e-05 0.004395 0.001132 True md_ensemble 7 49 118 - N_GB1_6 CA_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 120 + N_GB1_6 CA_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 120 N_GB1_6 O_GB1_14 1 4.970382e-03 2.116507e-05 ; 4.025980e-01 2.918099e-01 3.237107e-01 4.113385e-04 0.004395 0.011584 True md_ensemble 7 49 122 N_GB1_6 N_GB1_15 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 49 123 N_GB1_6 CA_GB1_15 1 1.004458e-02 7.242363e-05 ; 4.395329e-01 3.482761e-01 9.671369e-01 8.533792e-06 0.004395 0.008482 True md_ensemble 7 49 125 N_GB1_6 CB_GB1_15 1 6.619187e-03 3.972721e-05 ; 4.262986e-01 2.757155e-01 2.369600e-01 3.867526e-06 0.004395 0.001132 True md_ensemble 7 49 126 N_GB1_6 CG_GB1_15 1 5.914649e-03 3.705078e-05 ; 4.293499e-01 2.360482e-01 1.098389e-01 9.987673e-05 0.004395 0.001132 True md_ensemble 7 49 127 N_GB1_6 N_GB1_16 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.747500e-05 0.000000e+00 0.004395 0.001132 True md_ensemble 7 49 133 - N_GB1_6 CB_GB1_16 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 136 - N_GB1_6 CG2_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 138 + N_GB1_6 CB_GB1_16 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 136 + N_GB1_6 CG2_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 138 N_GB1_6 O_GB1_16 1 1.554383e-03 8.258341e-06 ; 4.177237e-01 7.314143e-02 4.671017e-03 9.999658e-05 0.004395 0.011584 True md_ensemble 7 49 140 N_GB1_6 N_GB1_17 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 49 141 - N_GB1_6 CB_GB1_17 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 144 - N_GB1_6 CG2_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 146 + N_GB1_6 CB_GB1_17 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 144 + N_GB1_6 CG2_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 146 N_GB1_6 N_GB1_18 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 49 149 - N_GB1_6 CB_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 152 - N_GB1_6 CG2_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 154 + N_GB1_6 CB_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 152 + N_GB1_6 CG2_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 154 N_GB1_6 N_GB1_19 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 49 157 - N_GB1_6 CB_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 160 - N_GB1_6 CG_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 161 + N_GB1_6 CB_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 160 + N_GB1_6 CG_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 161 N_GB1_6 N_GB1_20 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 49 167 - N_GB1_6 CB_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 170 + N_GB1_6 CB_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 170 N_GB1_6 N_GB1_21 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 49 173 - N_GB1_6 CB_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 176 - N_GB1_6 CG1_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 177 - N_GB1_6 CG2_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 178 + N_GB1_6 CB_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 176 + N_GB1_6 CG1_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 177 + N_GB1_6 CG2_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 178 N_GB1_6 N_GB1_22 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 49 181 - N_GB1_6 CB_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 184 + N_GB1_6 CB_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 184 N_GB1_6 N_GB1_23 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 49 190 - N_GB1_6 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 193 + N_GB1_6 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 193 N_GB1_6 N_GB1_24 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 49 196 - N_GB1_6 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 199 + N_GB1_6 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 199 N_GB1_6 N_GB1_25 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 49 202 - N_GB1_6 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 205 - N_GB1_6 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 207 + N_GB1_6 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 205 + N_GB1_6 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 207 N_GB1_6 N_GB1_26 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 49 210 - N_GB1_6 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 213 + N_GB1_6 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 213 N_GB1_6 N_GB1_27 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 49 216 - N_GB1_6 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 219 - N_GB1_6 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 220 + N_GB1_6 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 219 + N_GB1_6 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 220 N_GB1_6 N_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 49 226 - N_GB1_6 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 229 - N_GB1_6 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 230 - N_GB1_6 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 231 - N_GB1_6 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 232 + N_GB1_6 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 229 + N_GB1_6 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 230 + N_GB1_6 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 231 + N_GB1_6 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 232 N_GB1_6 NZ_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 49 233 N_GB1_6 N_GB1_29 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 49 236 - N_GB1_6 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 239 - N_GB1_6 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 240 - N_GB1_6 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 241 + N_GB1_6 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 239 + N_GB1_6 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 240 + N_GB1_6 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 241 N_GB1_6 N_GB1_30 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 49 244 - N_GB1_6 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 247 + N_GB1_6 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 247 N_GB1_6 N_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 49 256 - N_GB1_6 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 259 - N_GB1_6 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 260 - N_GB1_6 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 261 - N_GB1_6 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 262 + N_GB1_6 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 259 + N_GB1_6 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 260 + N_GB1_6 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 261 + N_GB1_6 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 262 N_GB1_6 NZ_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 9.998346e-05 0.004395 0.001132 True md_ensemble 7 49 263 N_GB1_6 N_GB1_32 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 49 266 - N_GB1_6 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 269 - N_GB1_6 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 270 + N_GB1_6 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 269 + N_GB1_6 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 270 N_GB1_6 N_GB1_33 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 49 276 - N_GB1_6 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 279 + N_GB1_6 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 279 N_GB1_6 N_GB1_34 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 49 289 - N_GB1_6 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 292 + N_GB1_6 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 292 N_GB1_6 N_GB1_35 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 49 295 - N_GB1_6 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 298 + N_GB1_6 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 298 N_GB1_6 N_GB1_36 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 49 304 - N_GB1_6 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 307 + N_GB1_6 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 307 N_GB1_6 N_GB1_37 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 49 313 - N_GB1_6 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 316 + N_GB1_6 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 316 N_GB1_6 N_GB1_38 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 49 322 - N_GB1_6 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 324 + N_GB1_6 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 324 N_GB1_6 N_GB1_39 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 49 327 - N_GB1_6 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 330 - N_GB1_6 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 331 - N_GB1_6 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 332 + N_GB1_6 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 330 + N_GB1_6 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 331 + N_GB1_6 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 332 N_GB1_6 N_GB1_40 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 49 335 - N_GB1_6 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 338 + N_GB1_6 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 338 N_GB1_6 N_GB1_41 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 49 344 - N_GB1_6 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 346 + N_GB1_6 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 346 N_GB1_6 N_GB1_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 49 349 - N_GB1_6 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 352 - N_GB1_6 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 353 + N_GB1_6 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 352 + N_GB1_6 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 353 N_GB1_6 N_GB1_43 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 49 359 - N_GB1_6 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 362 + N_GB1_6 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 362 N_GB1_6 N_GB1_44 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 49 374 - N_GB1_6 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 377 - N_GB1_6 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 379 + N_GB1_6 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 377 + N_GB1_6 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 379 N_GB1_6 N_GB1_45 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 49 382 - N_GB1_6 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 385 + N_GB1_6 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 385 N_GB1_6 N_GB1_46 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 49 395 - N_GB1_6 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 398 + N_GB1_6 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 398 N_GB1_6 N_GB1_47 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 49 404 - N_GB1_6 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 407 + N_GB1_6 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 407 N_GB1_6 N_GB1_48 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 49 413 - N_GB1_6 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 416 + N_GB1_6 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 416 N_GB1_6 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 49 419 - N_GB1_6 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 422 - N_GB1_6 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 424 + N_GB1_6 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 422 + N_GB1_6 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 424 N_GB1_6 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 49 427 - N_GB1_6 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 430 - N_GB1_6 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 431 - N_GB1_6 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 432 - N_GB1_6 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 433 + N_GB1_6 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 430 + N_GB1_6 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 431 + N_GB1_6 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 432 + N_GB1_6 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 433 N_GB1_6 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.000363e-04 0.004395 0.001132 True md_ensemble 7 49 434 N_GB1_6 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 49 437 - N_GB1_6 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 440 + N_GB1_6 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 440 N_GB1_6 CG2_GB1_51 1 5.765549e-03 2.501164e-05 ; 4.038471e-01 3.322608e-01 7.090417e-01 0.000000e+00 0.004395 0.001132 True md_ensemble 7 49 442 N_GB1_6 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.606725e-04 0.000000e+00 0.004395 0.001132 True md_ensemble 7 49 445 N_GB1_6 CA_GB1_52 1 1.133015e-02 9.193229e-05 ; 4.482691e-01 3.490945e-01 9.826017e-01 0.000000e+00 0.004395 0.008482 True md_ensemble 7 49 447 @@ -8645,17 +8645,17 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 N_GB1_6 CB_GB1_53 1 1.180548e-02 1.146623e-04 ; 4.619087e-01 3.038692e-01 4.089519e-01 0.000000e+00 0.004395 0.001132 True md_ensemble 7 49 460 N_GB1_6 CG2_GB1_53 1 1.961369e-03 1.336175e-05 ; 4.353956e-01 7.197726e-02 4.566795e-03 0.000000e+00 0.004395 0.001132 True md_ensemble 7 49 462 N_GB1_6 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 4.791100e-04 0.000000e+00 0.004395 0.001132 True md_ensemble 7 49 465 - N_GB1_6 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 468 - N_GB1_6 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 469 - N_GB1_6 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 470 + N_GB1_6 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 468 + N_GB1_6 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 469 + N_GB1_6 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 470 N_GB1_6 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 49 473 - N_GB1_6 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 476 - N_GB1_6 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 478 + N_GB1_6 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 476 + N_GB1_6 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 478 N_GB1_6 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 49 481 - N_GB1_6 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 484 - N_GB1_6 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 485 + N_GB1_6 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 484 + N_GB1_6 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 49 485 H_GB1_6 H_GB1_6 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 50 50 - H_GB1_6 O_GB1_6 1 0.000000e+00 7.425516e-09 ; 1.872358e-01 -7.425516e-09 9.827838e-01 4.613492e-01 0.004395 0.001132 True md_ensemble 4 50 57 + H_GB1_6 O_GB1_6 1 0.000000e+00 7.425634e-09 ; 1.872360e-01 -7.425634e-09 9.827838e-01 4.613492e-01 0.004395 0.001132 True md_ensemble 4 50 57 H_GB1_6 H_GB1_7 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 50 59 H_GB1_6 O_GB1_7 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 50 66 H_GB1_6 H_GB1_8 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 50 68 @@ -8793,15 +8793,15 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 H_GB1_6 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 50 488 H_GB1_6 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 50 490 H_GB1_6 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 50 491 - CA_GB1_6 CB_GB1_7 1 0.000000e+00 3.181377e-05 ; 3.758774e-01 -3.181377e-05 9.999962e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 51 61 - CA_GB1_6 CG_GB1_7 1 0.000000e+00 6.534875e-05 ; 3.991151e-01 -6.534875e-05 9.988382e-01 9.956808e-01 0.004395 0.001132 True md_ensemble 5 51 62 - CA_GB1_6 CD1_GB1_7 1 0.000000e+00 2.249965e-05 ; 3.651822e-01 -2.249965e-05 2.624572e-01 2.102932e-01 0.004395 0.001132 True md_ensemble 6 51 63 - CA_GB1_6 CD2_GB1_7 1 0.000000e+00 2.537700e-05 ; 3.688629e-01 -2.537700e-05 5.065505e-01 5.755999e-01 0.004395 0.001132 True md_ensemble 6 51 64 - CA_GB1_6 C_GB1_7 1 0.000000e+00 1.305168e-05 ; 3.489800e-01 -1.305168e-05 1.000000e+00 9.999860e-01 0.004395 0.001132 True md_ensemble 4 51 65 - CA_GB1_6 O_GB1_7 1 0.000000e+00 3.381872e-06 ; 3.118349e-01 -3.381872e-06 7.497828e-01 5.640060e-01 0.004395 0.001132 True md_ensemble 5 51 66 - CA_GB1_6 N_GB1_8 1 0.000000e+00 6.295198e-06 ; 3.284070e-01 -6.295198e-06 7.262187e-01 5.572685e-01 0.004395 0.001132 True md_ensemble 5 51 67 - CA_GB1_6 CA_GB1_8 1 0.000000e+00 6.351728e-05 ; 3.981707e-01 -6.351728e-05 5.847724e-01 5.536774e-01 0.004395 0.001132 True md_ensemble 6 51 69 - CA_GB1_6 CB_GB1_8 1 0.000000e+00 3.607933e-05 ; 3.798393e-01 -3.607933e-05 3.015248e-02 1.642358e-01 0.004395 0.007117 True md_ensemble 7 51 70 + CA_GB1_6 CB_GB1_7 1 0.000000e+00 3.181364e-05 ; 3.758773e-01 -3.181364e-05 9.999962e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 51 61 + CA_GB1_6 CG_GB1_7 1 0.000000e+00 6.534924e-05 ; 3.991153e-01 -6.534924e-05 9.988382e-01 9.956808e-01 0.004395 0.001132 True md_ensemble 5 51 62 + CA_GB1_6 CD1_GB1_7 1 0.000000e+00 2.249963e-05 ; 3.651822e-01 -2.249963e-05 2.624572e-01 2.102932e-01 0.004395 0.001132 True md_ensemble 6 51 63 + CA_GB1_6 CD2_GB1_7 1 0.000000e+00 2.537699e-05 ; 3.688629e-01 -2.537699e-05 5.065505e-01 5.755999e-01 0.004395 0.001132 True md_ensemble 6 51 64 + CA_GB1_6 C_GB1_7 1 0.000000e+00 1.305161e-05 ; 3.489799e-01 -1.305161e-05 1.000000e+00 9.999860e-01 0.004395 0.001132 True md_ensemble 4 51 65 + CA_GB1_6 O_GB1_7 1 0.000000e+00 3.381898e-06 ; 3.118351e-01 -3.381898e-06 7.497828e-01 5.640060e-01 0.004395 0.001132 True md_ensemble 5 51 66 + CA_GB1_6 N_GB1_8 1 0.000000e+00 6.295188e-06 ; 3.284070e-01 -6.295188e-06 7.262187e-01 5.572685e-01 0.004395 0.001132 True md_ensemble 5 51 67 + CA_GB1_6 CA_GB1_8 1 0.000000e+00 6.351775e-05 ; 3.981710e-01 -6.351775e-05 5.847724e-01 5.536774e-01 0.004395 0.001132 True md_ensemble 6 51 69 + CA_GB1_6 CB_GB1_8 1 0.000000e+00 3.607918e-05 ; 3.798391e-01 -3.607918e-05 3.015248e-02 1.642358e-01 0.004395 0.007117 True md_ensemble 7 51 70 CA_GB1_6 CG_GB1_8 1 9.212250e-03 1.247889e-04 ; 4.882419e-01 1.700182e-01 2.202779e-01 6.117491e-02 0.004395 0.008482 True md_ensemble 7 51 71 CA_GB1_6 OD1_GB1_8 1 3.360657e-03 2.529284e-05 ; 4.426858e-01 1.116325e-01 5.623016e-02 4.842478e-02 0.004395 0.008483 True md_ensemble 7 51 72 CA_GB1_6 ND2_GB1_8 1 7.095599e-03 6.381043e-05 ; 4.560199e-01 1.972543e-01 4.907416e-01 8.038780e-02 0.004395 0.008483 True md_ensemble 7 51 73 @@ -8839,45 +8839,45 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CA_GB1_6 CB_GB1_54 1 3.456460e-02 9.083445e-04 ; 5.452594e-01 3.288157e-01 6.632404e-01 3.668202e-04 0.004395 0.006476 True md_ensemble 7 51 468 CA_GB1_6 CG1_GB1_54 1 1.730376e-02 2.989092e-04 ; 5.084323e-01 2.504271e-01 1.451437e-01 6.978908e-04 0.004395 0.010759 True md_ensemble 7 51 469 CA_GB1_6 CG2_GB1_54 1 1.817652e-02 3.390151e-04 ; 5.149733e-01 2.436365e-01 1.272432e-01 1.998716e-04 0.004395 0.010759 True md_ensemble 7 51 470 - CB_GB1_6 C_GB1_6 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 56 + CB_GB1_6 C_GB1_6 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 56 CB_GB1_6 O_GB1_6 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 57 - CB_GB1_6 N_GB1_7 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 58 - CB_GB1_6 CA_GB1_7 1 0.000000e+00 6.555605e-05 ; 3.992204e-01 -6.555605e-05 9.999953e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 52 60 - CB_GB1_6 CB_GB1_7 1 0.000000e+00 3.142046e-05 ; 3.754880e-01 -3.142046e-05 8.997346e-01 8.873755e-01 0.004395 0.001132 True md_ensemble 5 52 61 - CB_GB1_6 CG_GB1_7 1 0.000000e+00 7.229635e-05 ; 4.024896e-01 -7.229635e-05 5.685618e-01 6.713843e-01 0.004395 0.001132 True md_ensemble 6 52 62 - CB_GB1_6 CD1_GB1_7 1 0.000000e+00 2.518749e-05 ; 3.686326e-01 -2.518749e-05 2.513783e-02 8.620368e-02 0.004395 0.010759 True md_ensemble 7 52 63 - CB_GB1_6 C_GB1_7 1 0.000000e+00 9.611418e-06 ; 3.401945e-01 -9.611418e-06 9.942481e-01 7.306500e-01 0.004395 0.001132 True md_ensemble 5 52 65 - CB_GB1_6 O_GB1_7 1 0.000000e+00 4.581138e-06 ; 3.198228e-01 -4.581138e-06 2.008258e-01 3.037858e-01 0.004395 0.001132 True md_ensemble 6 52 66 - CB_GB1_6 N_GB1_8 1 0.000000e+00 7.524350e-06 ; 3.333246e-01 -7.524350e-06 2.630147e-01 2.563289e-01 0.004395 0.001132 True md_ensemble 6 52 67 + CB_GB1_6 N_GB1_7 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 58 + CB_GB1_6 CA_GB1_7 1 0.000000e+00 6.555653e-05 ; 3.992206e-01 -6.555653e-05 9.999953e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 52 60 + CB_GB1_6 CB_GB1_7 1 0.000000e+00 3.142033e-05 ; 3.754879e-01 -3.142033e-05 8.997346e-01 8.873755e-01 0.004395 0.001132 True md_ensemble 5 52 61 + CB_GB1_6 CG_GB1_7 1 0.000000e+00 7.229688e-05 ; 4.024899e-01 -7.229688e-05 5.685618e-01 6.713843e-01 0.004395 0.001132 True md_ensemble 6 52 62 + CB_GB1_6 CD1_GB1_7 1 0.000000e+00 2.518747e-05 ; 3.686326e-01 -2.518747e-05 2.513783e-02 8.620368e-02 0.004395 0.010759 True md_ensemble 7 52 63 + CB_GB1_6 C_GB1_7 1 0.000000e+00 9.611368e-06 ; 3.401944e-01 -9.611368e-06 9.942481e-01 7.306500e-01 0.004395 0.001132 True md_ensemble 5 52 65 + CB_GB1_6 O_GB1_7 1 0.000000e+00 4.581175e-06 ; 3.198230e-01 -4.581175e-06 2.008258e-01 3.037858e-01 0.004395 0.001132 True md_ensemble 6 52 66 + CB_GB1_6 N_GB1_8 1 0.000000e+00 7.524338e-06 ; 3.333246e-01 -7.524338e-06 2.630147e-01 2.563289e-01 0.004395 0.001132 True md_ensemble 6 52 67 CB_GB1_6 CA_GB1_8 1 1.292186e-02 3.754800e-04 ; 5.544686e-01 1.111739e-01 4.617642e-01 3.063184e-01 0.004395 0.006476 True md_ensemble 7 52 69 CB_GB1_6 CB_GB1_8 1 8.557582e-03 1.696147e-04 ; 5.202180e-01 1.079391e-01 1.965936e-01 1.525811e-01 0.004395 0.007117 True md_ensemble 7 52 70 CB_GB1_6 CG_GB1_8 1 4.299395e-03 4.004914e-05 ; 4.587024e-01 1.153882e-01 7.225440e-01 7.718434e-02 0.004395 0.001132 True md_ensemble 7 52 71 CB_GB1_6 OD1_GB1_8 1 3.926414e-03 2.005302e-05 ; 4.149833e-01 1.921996e-01 3.829972e-01 6.413016e-02 0.004395 0.007862 True md_ensemble 7 52 72 CB_GB1_6 ND2_GB1_8 1 2.139994e-03 9.266362e-06 ; 4.037223e-01 1.235538e-01 8.611118e-01 7.852124e-02 0.004395 0.001132 True md_ensemble 7 52 73 - CB_GB1_6 C_GB1_8 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 74 + CB_GB1_6 C_GB1_8 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 74 CB_GB1_6 O_GB1_8 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 7.480974e-02 0.004395 0.007862 True md_ensemble 7 52 75 - CB_GB1_6 N_GB1_9 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 76 - CB_GB1_6 C_GB1_9 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 79 + CB_GB1_6 N_GB1_9 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 76 + CB_GB1_6 C_GB1_9 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 79 CB_GB1_6 O_GB1_9 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.383156e-02 0.004395 0.007862 True md_ensemble 7 52 80 - CB_GB1_6 N_GB1_10 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 81 - CB_GB1_6 NZ_GB1_10 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 88 - CB_GB1_6 C_GB1_10 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 89 + CB_GB1_6 N_GB1_10 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 81 + CB_GB1_6 NZ_GB1_10 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 88 + CB_GB1_6 C_GB1_10 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 89 CB_GB1_6 O_GB1_10 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 7.325969e-03 0.004395 0.007862 True md_ensemble 7 52 90 - CB_GB1_6 N_GB1_11 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 91 - CB_GB1_6 OG1_GB1_11 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 95 - CB_GB1_6 C_GB1_11 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 97 + CB_GB1_6 N_GB1_11 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 91 + CB_GB1_6 OG1_GB1_11 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 95 + CB_GB1_6 C_GB1_11 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 97 CB_GB1_6 O_GB1_11 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.896045e-03 0.004395 0.007862 True md_ensemble 7 52 98 - CB_GB1_6 N_GB1_12 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 99 - CB_GB1_6 C_GB1_12 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 106 + CB_GB1_6 N_GB1_12 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 99 + CB_GB1_6 C_GB1_12 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 106 CB_GB1_6 O_GB1_12 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.793476e-03 0.004395 0.007862 True md_ensemble 7 52 107 - CB_GB1_6 N_GB1_13 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 108 + CB_GB1_6 N_GB1_13 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 108 CB_GB1_6 CG_GB1_13 1 6.198760e-03 9.268699e-05 ; 4.963473e-01 1.036408e-01 8.436352e-03 3.577582e-03 0.004395 0.007117 True md_ensemble 7 52 112 CB_GB1_6 CD_GB1_13 1 6.230599e-03 9.699975e-05 ; 4.996971e-01 1.000527e-01 7.869555e-03 5.972802e-03 0.004395 0.007117 True md_ensemble 7 52 113 CB_GB1_6 CE_GB1_13 1 7.507550e-03 9.356994e-05 ; 4.815112e-01 1.505914e-01 2.263491e-02 7.685357e-03 0.004395 0.007117 True md_ensemble 7 52 114 CB_GB1_6 NZ_GB1_13 1 2.665694e-03 2.337243e-05 ; 4.540973e-01 7.600756e-02 1.705466e-02 3.908529e-03 0.004395 0.001132 True md_ensemble 7 52 115 - CB_GB1_6 C_GB1_13 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 116 + CB_GB1_6 C_GB1_13 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 116 CB_GB1_6 O_GB1_13 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 2.136900e-04 1.319351e-03 0.004395 0.007862 True md_ensemble 7 52 117 - CB_GB1_6 N_GB1_14 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 118 + CB_GB1_6 N_GB1_14 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 118 CB_GB1_6 CA_GB1_14 1 1.205626e-02 2.342190e-04 ; 5.184835e-01 1.551470e-01 2.289454e-02 4.070979e-03 0.004395 0.007117 True md_ensemble 7 52 120 CB_GB1_6 C_GB1_14 1 1.404781e-02 1.647676e-04 ; 4.766620e-01 2.994232e-01 4.838428e-01 1.459377e-03 0.004395 0.001132 True md_ensemble 7 52 121 CB_GB1_6 O_GB1_14 1 5.026450e-03 1.828754e-05 ; 3.921772e-01 3.453882e-01 9.144874e-01 1.164607e-03 0.004395 0.007862 True md_ensemble 7 52 122 @@ -8888,166 +8888,166 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CB_GB1_6 CD_GB1_15 1 1.000674e-02 1.084166e-04 ; 4.703999e-01 2.309029e-01 1.879133e-01 2.139057e-03 0.004395 0.001132 True md_ensemble 7 52 128 CB_GB1_6 OE1_GB1_15 1 3.700353e-03 1.841705e-05 ; 4.132024e-01 1.858687e-01 4.152856e-02 1.029506e-03 0.004395 0.001132 True md_ensemble 7 52 129 CB_GB1_6 OE2_GB1_15 1 3.700353e-03 1.841705e-05 ; 4.132024e-01 1.858687e-01 4.152856e-02 1.029506e-03 0.004395 0.001132 True md_ensemble 7 52 130 - CB_GB1_6 C_GB1_15 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 131 + CB_GB1_6 C_GB1_15 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 131 CB_GB1_6 O_GB1_15 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.774250e-04 0.004395 0.007862 True md_ensemble 7 52 132 - CB_GB1_6 N_GB1_16 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 133 - CB_GB1_6 OG1_GB1_16 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 137 - CB_GB1_6 C_GB1_16 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 139 + CB_GB1_6 N_GB1_16 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 133 + CB_GB1_6 OG1_GB1_16 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 137 + CB_GB1_6 C_GB1_16 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 139 CB_GB1_6 O_GB1_16 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.108163e-04 0.004395 0.007862 True md_ensemble 7 52 140 - CB_GB1_6 N_GB1_17 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 141 - CB_GB1_6 OG1_GB1_17 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 145 - CB_GB1_6 C_GB1_17 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 147 + CB_GB1_6 N_GB1_17 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 141 + CB_GB1_6 OG1_GB1_17 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 145 + CB_GB1_6 C_GB1_17 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 147 CB_GB1_6 O_GB1_17 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.075930e-04 0.004395 0.007862 True md_ensemble 7 52 148 - CB_GB1_6 N_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 149 - CB_GB1_6 OG1_GB1_18 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 153 - CB_GB1_6 C_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 155 + CB_GB1_6 N_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 149 + CB_GB1_6 OG1_GB1_18 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 153 + CB_GB1_6 C_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 155 CB_GB1_6 O_GB1_18 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.826120e-04 0.004395 0.007862 True md_ensemble 7 52 156 - CB_GB1_6 N_GB1_19 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 157 - CB_GB1_6 CD_GB1_19 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 162 - CB_GB1_6 OE1_GB1_19 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 163 - CB_GB1_6 OE2_GB1_19 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 164 - CB_GB1_6 C_GB1_19 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 165 + CB_GB1_6 N_GB1_19 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 157 + CB_GB1_6 CD_GB1_19 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 162 + CB_GB1_6 OE1_GB1_19 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 163 + CB_GB1_6 OE2_GB1_19 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 164 + CB_GB1_6 C_GB1_19 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 165 CB_GB1_6 O_GB1_19 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.145634e-04 0.004395 0.007862 True md_ensemble 7 52 166 - CB_GB1_6 N_GB1_20 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 167 - CB_GB1_6 C_GB1_20 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 171 + CB_GB1_6 N_GB1_20 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 167 + CB_GB1_6 C_GB1_20 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 171 CB_GB1_6 O_GB1_20 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 5.254606e-04 0.004395 0.007862 True md_ensemble 7 52 172 - CB_GB1_6 N_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 173 - CB_GB1_6 C_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 179 + CB_GB1_6 N_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 173 + CB_GB1_6 C_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 179 CB_GB1_6 O_GB1_21 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 8.086210e-05 0.004395 0.007862 True md_ensemble 7 52 180 - CB_GB1_6 N_GB1_22 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 181 - CB_GB1_6 CG_GB1_22 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 185 - CB_GB1_6 OD1_GB1_22 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 186 - CB_GB1_6 OD2_GB1_22 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 187 - CB_GB1_6 C_GB1_22 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 188 + CB_GB1_6 N_GB1_22 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 181 + CB_GB1_6 CG_GB1_22 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 185 + CB_GB1_6 OD1_GB1_22 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 186 + CB_GB1_6 OD2_GB1_22 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 187 + CB_GB1_6 C_GB1_22 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 188 CB_GB1_6 O_GB1_22 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.641800e-04 0.004395 0.007862 True md_ensemble 7 52 189 - CB_GB1_6 N_GB1_23 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 190 - CB_GB1_6 C_GB1_23 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 194 + CB_GB1_6 N_GB1_23 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 190 + CB_GB1_6 C_GB1_23 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 194 CB_GB1_6 O_GB1_23 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.994704e-04 0.004395 0.007862 True md_ensemble 7 52 195 - CB_GB1_6 N_GB1_24 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 196 - CB_GB1_6 C_GB1_24 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 200 + CB_GB1_6 N_GB1_24 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 196 + CB_GB1_6 C_GB1_24 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 200 CB_GB1_6 O_GB1_24 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.923275e-04 0.004395 0.007862 True md_ensemble 7 52 201 - CB_GB1_6 N_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 202 - CB_GB1_6 OG1_GB1_25 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 206 - CB_GB1_6 C_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 208 + CB_GB1_6 N_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 202 + CB_GB1_6 OG1_GB1_25 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 206 + CB_GB1_6 C_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 208 CB_GB1_6 O_GB1_25 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.508026e-05 0.004395 0.007862 True md_ensemble 7 52 209 - CB_GB1_6 N_GB1_26 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 210 - CB_GB1_6 C_GB1_26 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 214 + CB_GB1_6 N_GB1_26 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 210 + CB_GB1_6 C_GB1_26 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 214 CB_GB1_6 O_GB1_26 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.824738e-04 0.004395 0.007862 True md_ensemble 7 52 215 - CB_GB1_6 N_GB1_27 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 216 - CB_GB1_6 CD_GB1_27 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 221 - CB_GB1_6 OE1_GB1_27 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 222 - CB_GB1_6 OE2_GB1_27 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 223 - CB_GB1_6 C_GB1_27 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 224 + CB_GB1_6 N_GB1_27 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 216 + CB_GB1_6 CD_GB1_27 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 221 + CB_GB1_6 OE1_GB1_27 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 222 + CB_GB1_6 OE2_GB1_27 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 223 + CB_GB1_6 C_GB1_27 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 224 CB_GB1_6 O_GB1_27 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.998918e-04 0.004395 0.007862 True md_ensemble 7 52 225 - CB_GB1_6 N_GB1_28 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 226 - CB_GB1_6 NZ_GB1_28 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 233 - CB_GB1_6 C_GB1_28 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 234 + CB_GB1_6 N_GB1_28 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 226 + CB_GB1_6 NZ_GB1_28 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 233 + CB_GB1_6 C_GB1_28 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 234 CB_GB1_6 O_GB1_28 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 9.999246e-05 0.004395 0.007862 True md_ensemble 7 52 235 - CB_GB1_6 N_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 236 - CB_GB1_6 C_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 242 + CB_GB1_6 N_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 236 + CB_GB1_6 C_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 242 CB_GB1_6 O_GB1_29 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 9.926322e-05 0.004395 0.007862 True md_ensemble 7 52 243 - CB_GB1_6 N_GB1_30 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 244 - CB_GB1_6 C_GB1_30 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 254 + CB_GB1_6 N_GB1_30 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 244 + CB_GB1_6 C_GB1_30 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 254 CB_GB1_6 O_GB1_30 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 4.404893e-04 0.004395 0.007862 True md_ensemble 7 52 255 - CB_GB1_6 N_GB1_31 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 256 - CB_GB1_6 NZ_GB1_31 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 263 - CB_GB1_6 C_GB1_31 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 264 + CB_GB1_6 N_GB1_31 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 256 + CB_GB1_6 NZ_GB1_31 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 263 + CB_GB1_6 C_GB1_31 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 264 CB_GB1_6 O_GB1_31 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.000173e-04 0.004395 0.007862 True md_ensemble 7 52 265 - CB_GB1_6 N_GB1_32 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 266 - CB_GB1_6 CD_GB1_32 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 271 + CB_GB1_6 N_GB1_32 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 266 + CB_GB1_6 CD_GB1_32 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 271 CB_GB1_6 OE1_GB1_32 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 4.129682e-04 0.004395 0.007862 True md_ensemble 7 52 272 - CB_GB1_6 NE2_GB1_32 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 273 - CB_GB1_6 C_GB1_32 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 274 + CB_GB1_6 NE2_GB1_32 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 273 + CB_GB1_6 C_GB1_32 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 274 CB_GB1_6 O_GB1_32 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 52 275 - CB_GB1_6 N_GB1_33 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 276 - CB_GB1_6 OH_GB1_33 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 286 - CB_GB1_6 C_GB1_33 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 287 + CB_GB1_6 N_GB1_33 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 276 + CB_GB1_6 OH_GB1_33 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 286 + CB_GB1_6 C_GB1_33 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 287 CB_GB1_6 O_GB1_33 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.998048e-04 0.004395 0.007862 True md_ensemble 7 52 288 - CB_GB1_6 N_GB1_34 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 289 - CB_GB1_6 C_GB1_34 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 293 + CB_GB1_6 N_GB1_34 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 289 + CB_GB1_6 C_GB1_34 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 293 CB_GB1_6 O_GB1_34 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.166191e-04 0.004395 0.007862 True md_ensemble 7 52 294 - CB_GB1_6 N_GB1_35 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 295 - CB_GB1_6 CG_GB1_35 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 299 + CB_GB1_6 N_GB1_35 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 295 + CB_GB1_6 CG_GB1_35 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 299 CB_GB1_6 OD1_GB1_35 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.999586e-04 0.004395 0.007862 True md_ensemble 7 52 300 - CB_GB1_6 ND2_GB1_35 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 301 - CB_GB1_6 C_GB1_35 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 302 + CB_GB1_6 ND2_GB1_35 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 301 + CB_GB1_6 C_GB1_35 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 302 CB_GB1_6 O_GB1_35 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 9.990189e-05 0.004395 0.007862 True md_ensemble 7 52 303 - CB_GB1_6 N_GB1_36 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 304 - CB_GB1_6 CG_GB1_36 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 308 - CB_GB1_6 OD1_GB1_36 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 309 - CB_GB1_6 OD2_GB1_36 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 310 - CB_GB1_6 C_GB1_36 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 311 + CB_GB1_6 N_GB1_36 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 304 + CB_GB1_6 CG_GB1_36 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 308 + CB_GB1_6 OD1_GB1_36 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 309 + CB_GB1_6 OD2_GB1_36 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 310 + CB_GB1_6 C_GB1_36 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 311 CB_GB1_6 O_GB1_36 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.416537e-05 0.004395 0.007862 True md_ensemble 7 52 312 - CB_GB1_6 N_GB1_37 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 313 - CB_GB1_6 CG_GB1_37 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 317 + CB_GB1_6 N_GB1_37 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 313 + CB_GB1_6 CG_GB1_37 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 317 CB_GB1_6 OD1_GB1_37 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 9.999574e-05 0.004395 0.007862 True md_ensemble 7 52 318 - CB_GB1_6 ND2_GB1_37 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 319 - CB_GB1_6 C_GB1_37 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 320 + CB_GB1_6 ND2_GB1_37 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 319 + CB_GB1_6 C_GB1_37 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 320 CB_GB1_6 O_GB1_37 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 9.985020e-05 0.004395 0.007862 True md_ensemble 7 52 321 - CB_GB1_6 N_GB1_38 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 322 - CB_GB1_6 C_GB1_38 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 325 + CB_GB1_6 N_GB1_38 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 322 + CB_GB1_6 C_GB1_38 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 325 CB_GB1_6 O_GB1_38 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 52 326 - CB_GB1_6 N_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 327 - CB_GB1_6 C_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 333 + CB_GB1_6 N_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 327 + CB_GB1_6 C_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 333 CB_GB1_6 O_GB1_39 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 52 334 - CB_GB1_6 N_GB1_40 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 335 - CB_GB1_6 CG_GB1_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 339 - CB_GB1_6 OD1_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 340 - CB_GB1_6 OD2_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 341 - CB_GB1_6 C_GB1_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 342 + CB_GB1_6 N_GB1_40 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 335 + CB_GB1_6 CG_GB1_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 339 + CB_GB1_6 OD1_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 340 + CB_GB1_6 OD2_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 341 + CB_GB1_6 C_GB1_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 342 CB_GB1_6 O_GB1_40 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.000659e-04 0.004395 0.007862 True md_ensemble 7 52 343 - CB_GB1_6 N_GB1_41 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 344 - CB_GB1_6 C_GB1_41 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 347 + CB_GB1_6 N_GB1_41 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 344 + CB_GB1_6 C_GB1_41 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 347 CB_GB1_6 O_GB1_41 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.999655e-04 0.004395 0.007862 True md_ensemble 7 52 348 - CB_GB1_6 N_GB1_42 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 349 - CB_GB1_6 CD_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 354 - CB_GB1_6 OE1_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 355 - CB_GB1_6 OE2_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 356 - CB_GB1_6 C_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 357 + CB_GB1_6 N_GB1_42 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 349 + CB_GB1_6 CD_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 354 + CB_GB1_6 OE1_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 355 + CB_GB1_6 OE2_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 356 + CB_GB1_6 C_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 357 CB_GB1_6 O_GB1_42 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 52 358 - CB_GB1_6 N_GB1_43 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 359 - CB_GB1_6 NE1_GB1_43 1 0.000000e+00 9.937288e-06 ; 8.853117e-06 -9.937288e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 366 - CB_GB1_6 C_GB1_43 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 372 + CB_GB1_6 N_GB1_43 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 359 + CB_GB1_6 NE1_GB1_43 1 0.000000e+00 9.937231e-06 ; 8.853066e-06 -9.937231e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 366 + CB_GB1_6 C_GB1_43 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 372 CB_GB1_6 O_GB1_43 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.104075e-04 0.004395 0.007862 True md_ensemble 7 52 373 - CB_GB1_6 N_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 374 - CB_GB1_6 OG1_GB1_44 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 378 - CB_GB1_6 C_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 380 + CB_GB1_6 N_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 374 + CB_GB1_6 OG1_GB1_44 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 378 + CB_GB1_6 C_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 380 CB_GB1_6 O_GB1_44 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.663522e-04 0.004395 0.007862 True md_ensemble 7 52 381 - CB_GB1_6 N_GB1_45 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 382 - CB_GB1_6 OH_GB1_45 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 392 - CB_GB1_6 C_GB1_45 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 393 + CB_GB1_6 N_GB1_45 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 382 + CB_GB1_6 OH_GB1_45 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 392 + CB_GB1_6 C_GB1_45 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 393 CB_GB1_6 O_GB1_45 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 9.988831e-05 0.004395 0.007862 True md_ensemble 7 52 394 - CB_GB1_6 N_GB1_46 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 395 - CB_GB1_6 CG_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 399 - CB_GB1_6 OD1_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 400 - CB_GB1_6 OD2_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 401 - CB_GB1_6 C_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 402 + CB_GB1_6 N_GB1_46 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 395 + CB_GB1_6 CG_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 399 + CB_GB1_6 OD1_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 400 + CB_GB1_6 OD2_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 401 + CB_GB1_6 C_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 402 CB_GB1_6 O_GB1_46 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 9.992439e-05 0.004395 0.007862 True md_ensemble 7 52 403 - CB_GB1_6 N_GB1_47 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 404 - CB_GB1_6 CG_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 408 - CB_GB1_6 OD1_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 409 - CB_GB1_6 OD2_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 410 - CB_GB1_6 C_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 411 + CB_GB1_6 N_GB1_47 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 404 + CB_GB1_6 CG_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 408 + CB_GB1_6 OD1_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 409 + CB_GB1_6 OD2_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 410 + CB_GB1_6 C_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 411 CB_GB1_6 O_GB1_47 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.000655e-04 0.004395 0.007862 True md_ensemble 7 52 412 - CB_GB1_6 N_GB1_48 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 413 - CB_GB1_6 C_GB1_48 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 417 + CB_GB1_6 N_GB1_48 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 413 + CB_GB1_6 C_GB1_48 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 417 CB_GB1_6 O_GB1_48 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.177360e-04 0.004395 0.007862 True md_ensemble 7 52 418 - CB_GB1_6 N_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 419 - CB_GB1_6 OG1_GB1_49 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 423 - CB_GB1_6 C_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 425 + CB_GB1_6 N_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 419 + CB_GB1_6 OG1_GB1_49 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 423 + CB_GB1_6 C_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 425 CB_GB1_6 O_GB1_49 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 52 426 - CB_GB1_6 N_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 427 - CB_GB1_6 NZ_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 434 - CB_GB1_6 C_GB1_50 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 435 + CB_GB1_6 N_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 427 + CB_GB1_6 NZ_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 434 + CB_GB1_6 C_GB1_50 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 435 CB_GB1_6 O_GB1_50 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 9.984613e-05 0.004395 0.007862 True md_ensemble 7 52 436 - CB_GB1_6 N_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 437 + CB_GB1_6 N_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 437 CB_GB1_6 CA_GB1_51 1 2.297969e-02 7.729430e-04 ; 5.681555e-01 1.707972e-01 3.100812e-02 1.134843e-04 0.004395 0.006476 True md_ensemble 7 52 439 CB_GB1_6 CB_GB1_51 1 3.581668e-02 9.562495e-04 ; 5.466982e-01 3.353817e-01 7.532576e-01 7.433325e-04 0.004395 0.006476 True md_ensemble 7 52 440 - CB_GB1_6 OG1_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 441 + CB_GB1_6 OG1_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 441 CB_GB1_6 CG2_GB1_51 1 6.985585e-03 3.486977e-05 ; 4.134037e-01 3.498617e-01 9.973230e-01 6.079326e-04 0.004395 0.010759 True md_ensemble 7 52 442 - CB_GB1_6 C_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 443 + CB_GB1_6 C_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 443 CB_GB1_6 O_GB1_51 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 52 444 - CB_GB1_6 N_GB1_52 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 445 + CB_GB1_6 N_GB1_52 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 445 CB_GB1_6 CA_GB1_52 1 3.752936e-02 1.034099e-03 ; 5.495812e-01 3.405024e-01 8.318582e-01 2.000907e-04 0.004395 0.006476 True md_ensemble 7 52 447 CB_GB1_6 C_GB1_52 1 9.316790e-03 6.203691e-05 ; 4.337412e-01 3.498021e-01 9.961720e-01 6.160326e-05 0.004395 0.001132 True md_ensemble 7 52 455 CB_GB1_6 O_GB1_52 1 2.203892e-03 3.469478e-06 ; 3.410717e-01 3.499907e-01 9.998188e-01 9.998712e-05 0.004395 0.007862 True md_ensemble 7 52 456 @@ -9061,54 +9061,54 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CB_GB1_6 N_GB1_54 1 1.143651e-02 9.829532e-05 ; 4.525917e-01 3.326549e-01 7.144787e-01 1.803093e-05 0.004395 0.001132 True md_ensemble 7 52 465 CB_GB1_6 CA_GB1_54 1 3.747940e-02 1.123853e-03 ; 5.573819e-01 3.124752e-01 4.831895e-01 3.996038e-04 0.004395 0.006476 True md_ensemble 7 52 467 CB_GB1_6 CB_GB1_54 1 2.825806e-02 9.216598e-04 ; 5.652467e-01 2.165978e-01 7.533960e-02 8.313345e-04 0.004395 0.006476 True md_ensemble 7 52 468 - CB_GB1_6 C_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 471 + CB_GB1_6 C_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 471 CB_GB1_6 O_GB1_54 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 1.799445e-03 9.999506e-05 0.004395 0.007862 True md_ensemble 7 52 472 - CB_GB1_6 N_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 473 - CB_GB1_6 OG1_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 477 - CB_GB1_6 C_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 479 + CB_GB1_6 N_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 473 + CB_GB1_6 OG1_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 477 + CB_GB1_6 C_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 479 CB_GB1_6 O_GB1_55 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.000319e-04 0.004395 0.007862 True md_ensemble 7 52 480 - CB_GB1_6 N_GB1_56 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 481 - CB_GB1_6 CD_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 486 - CB_GB1_6 OE1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 487 - CB_GB1_6 OE2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 488 - CB_GB1_6 C_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 489 - CB_GB1_6 O1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 490 - CB_GB1_6 O2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 491 - CG1_GB1_6 C_GB1_6 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 56 - CG1_GB1_6 O_GB1_6 1 0.000000e+00 1.953871e-06 ; 2.978994e-01 -1.953871e-06 9.986741e-01 9.680214e-01 0.004395 0.001132 True md_ensemble 4 53 57 - CG1_GB1_6 N_GB1_7 1 0.000000e+00 3.653808e-06 ; 3.138512e-01 -3.653808e-06 9.941436e-01 9.880844e-01 0.004395 0.001132 True md_ensemble 4 53 58 - CG1_GB1_6 CA_GB1_7 1 0.000000e+00 3.951166e-05 ; 3.827267e-01 -3.951166e-05 5.045377e-01 7.465094e-01 0.004395 0.001132 True md_ensemble 5 53 60 - CG1_GB1_6 CB_GB1_7 1 0.000000e+00 1.807518e-05 ; 3.585793e-01 -1.807518e-05 6.814390e-03 1.775698e-01 0.004395 0.001132 True md_ensemble 6 53 61 - CG1_GB1_6 C_GB1_7 1 0.000000e+00 7.481037e-06 ; 3.331643e-01 -7.481037e-06 1.993624e-02 2.010355e-01 0.004395 0.001132 True md_ensemble 6 53 65 - CG1_GB1_6 O_GB1_7 1 0.000000e+00 2.215867e-06 ; 3.010396e-01 -2.215867e-06 1.333342e-02 1.126614e-01 0.004395 0.007862 True md_ensemble 7 53 66 - CG1_GB1_6 N_GB1_8 1 0.000000e+00 3.995338e-06 ; 3.161970e-01 -3.995338e-06 7.747010e-03 9.459386e-02 0.004395 0.001132 True md_ensemble 7 53 67 - CG1_GB1_6 CA_GB1_8 1 0.000000e+00 3.600034e-05 ; 3.797699e-01 -3.600034e-05 1.574982e-02 1.473502e-01 0.004395 0.007117 True md_ensemble 7 53 69 - CG1_GB1_6 CB_GB1_8 1 0.000000e+00 1.648650e-05 ; 3.558408e-01 -1.648650e-05 9.353160e-03 7.720748e-02 0.004395 0.007860 True md_ensemble 7 53 70 - CG1_GB1_6 CG_GB1_8 1 0.000000e+00 6.521152e-06 ; 3.293735e-01 -6.521152e-06 2.031691e-02 4.987039e-02 0.004395 0.001132 True md_ensemble 7 53 71 - CG1_GB1_6 OD1_GB1_8 1 0.000000e+00 2.060587e-06 ; 2.992225e-01 -2.060587e-06 1.724946e-02 3.954058e-02 0.004395 0.007862 True md_ensemble 7 53 72 - CG1_GB1_6 ND2_GB1_8 1 0.000000e+00 6.363224e-06 ; 3.287013e-01 -6.363224e-06 4.451738e-02 4.960475e-02 0.004395 0.001132 True md_ensemble 7 53 73 - CG1_GB1_6 C_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 74 + CB_GB1_6 N_GB1_56 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 481 + CB_GB1_6 CD_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 486 + CB_GB1_6 OE1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 487 + CB_GB1_6 OE2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 488 + CB_GB1_6 C_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 489 + CB_GB1_6 O1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 490 + CB_GB1_6 O2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 52 491 + CG1_GB1_6 C_GB1_6 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 56 + CG1_GB1_6 O_GB1_6 1 0.000000e+00 1.953864e-06 ; 2.978993e-01 -1.953864e-06 9.986741e-01 9.680214e-01 0.004395 0.001132 True md_ensemble 4 53 57 + CG1_GB1_6 N_GB1_7 1 0.000000e+00 3.653759e-06 ; 3.138509e-01 -3.653759e-06 9.941436e-01 9.880844e-01 0.004395 0.001132 True md_ensemble 4 53 58 + CG1_GB1_6 CA_GB1_7 1 0.000000e+00 3.951149e-05 ; 3.827266e-01 -3.951149e-05 5.045377e-01 7.465094e-01 0.004395 0.001132 True md_ensemble 5 53 60 + CG1_GB1_6 CB_GB1_7 1 0.000000e+00 1.807489e-05 ; 3.585788e-01 -1.807489e-05 6.814390e-03 1.775698e-01 0.004395 0.001132 True md_ensemble 6 53 61 + CG1_GB1_6 C_GB1_7 1 0.000000e+00 7.480911e-06 ; 3.331639e-01 -7.480911e-06 1.993624e-02 2.010355e-01 0.004395 0.001132 True md_ensemble 6 53 65 + CG1_GB1_6 O_GB1_7 1 0.000000e+00 2.215859e-06 ; 3.010395e-01 -2.215859e-06 1.333342e-02 1.126614e-01 0.004395 0.007862 True md_ensemble 7 53 66 + CG1_GB1_6 N_GB1_8 1 0.000000e+00 3.995285e-06 ; 3.161967e-01 -3.995285e-06 7.747010e-03 9.459386e-02 0.004395 0.001132 True md_ensemble 7 53 67 + CG1_GB1_6 CA_GB1_8 1 0.000000e+00 3.600019e-05 ; 3.797698e-01 -3.600019e-05 1.574982e-02 1.473502e-01 0.004395 0.007117 True md_ensemble 7 53 69 + CG1_GB1_6 CB_GB1_8 1 0.000000e+00 1.648623e-05 ; 3.558403e-01 -1.648623e-05 9.353160e-03 7.720748e-02 0.004395 0.007860 True md_ensemble 7 53 70 + CG1_GB1_6 CG_GB1_8 1 0.000000e+00 6.521042e-06 ; 3.293731e-01 -6.521042e-06 2.031691e-02 4.987039e-02 0.004395 0.001132 True md_ensemble 7 53 71 + CG1_GB1_6 OD1_GB1_8 1 0.000000e+00 2.060580e-06 ; 2.992224e-01 -2.060580e-06 1.724946e-02 3.954058e-02 0.004395 0.007862 True md_ensemble 7 53 72 + CG1_GB1_6 ND2_GB1_8 1 0.000000e+00 6.363188e-06 ; 3.287012e-01 -6.363188e-06 4.451738e-02 4.960475e-02 0.004395 0.001132 True md_ensemble 7 53 73 + CG1_GB1_6 C_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 74 CG1_GB1_6 O_GB1_8 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.533521e-02 0.004395 0.007862 True md_ensemble 7 53 75 - CG1_GB1_6 N_GB1_9 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 76 - CG1_GB1_6 C_GB1_9 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 79 + CG1_GB1_6 N_GB1_9 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 76 + CG1_GB1_6 C_GB1_9 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 79 CG1_GB1_6 O_GB1_9 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.769597e-03 0.004395 0.007862 True md_ensemble 7 53 80 - CG1_GB1_6 N_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 81 - CG1_GB1_6 NZ_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 88 - CG1_GB1_6 C_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 89 + CG1_GB1_6 N_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 81 + CG1_GB1_6 NZ_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 88 + CG1_GB1_6 C_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 89 CG1_GB1_6 O_GB1_10 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.713440e-03 0.004395 0.007862 True md_ensemble 7 53 90 - CG1_GB1_6 N_GB1_11 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 91 - CG1_GB1_6 OG1_GB1_11 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 95 - CG1_GB1_6 C_GB1_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 97 + CG1_GB1_6 N_GB1_11 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 91 + CG1_GB1_6 OG1_GB1_11 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 95 + CG1_GB1_6 C_GB1_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 97 CG1_GB1_6 O_GB1_11 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.882716e-03 0.004395 0.007862 True md_ensemble 7 53 98 - CG1_GB1_6 N_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 99 - CG1_GB1_6 C_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 106 + CG1_GB1_6 N_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 99 + CG1_GB1_6 C_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 106 CG1_GB1_6 O_GB1_12 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.621314e-03 0.004395 0.007862 True md_ensemble 7 53 107 - CG1_GB1_6 N_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 108 + CG1_GB1_6 N_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 108 CG1_GB1_6 CE_GB1_13 1 1.969859e-03 1.019850e-05 ; 4.159268e-01 9.512048e-02 7.152050e-03 6.490663e-03 0.004395 0.007860 True md_ensemble 7 53 114 - CG1_GB1_6 NZ_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 115 - CG1_GB1_6 C_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 116 + CG1_GB1_6 NZ_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 115 + CG1_GB1_6 C_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 116 CG1_GB1_6 O_GB1_13 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 1.858150e-04 8.803848e-04 0.004395 0.007862 True md_ensemble 7 53 117 - CG1_GB1_6 N_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 118 + CG1_GB1_6 N_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 118 CG1_GB1_6 CA_GB1_14 1 3.494928e-03 3.194943e-05 ; 4.572680e-01 9.557696e-02 7.215612e-03 3.389383e-03 0.004395 0.007860 True md_ensemble 7 53 120 CG1_GB1_6 C_GB1_14 1 3.239933e-03 1.588131e-05 ; 4.121529e-01 1.652440e-01 3.108711e-02 1.263456e-03 0.004395 0.001132 True md_ensemble 7 53 121 CG1_GB1_6 O_GB1_14 1 1.591006e-03 2.667676e-06 ; 3.446754e-01 2.372195e-01 1.123612e-01 1.334062e-03 0.004395 0.007862 True md_ensemble 7 53 122 @@ -9119,166 +9119,166 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CG1_GB1_6 CD_GB1_15 1 5.139684e-03 2.277054e-05 ; 4.052654e-01 2.900276e-01 4.822230e-01 1.745028e-03 0.004395 0.001132 True md_ensemble 7 53 128 CG1_GB1_6 OE1_GB1_15 1 1.526366e-03 2.319642e-06 ; 3.390734e-01 2.510941e-01 1.694385e-01 1.304091e-03 0.004395 0.001132 True md_ensemble 7 53 129 CG1_GB1_6 OE2_GB1_15 1 1.526366e-03 2.319642e-06 ; 3.390734e-01 2.510941e-01 1.694385e-01 1.304091e-03 0.004395 0.001132 True md_ensemble 7 53 130 - CG1_GB1_6 C_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 131 + CG1_GB1_6 C_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 131 CG1_GB1_6 O_GB1_15 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.018843e-04 0.004395 0.007862 True md_ensemble 7 53 132 - CG1_GB1_6 N_GB1_16 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 133 - CG1_GB1_6 OG1_GB1_16 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 137 - CG1_GB1_6 C_GB1_16 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 139 + CG1_GB1_6 N_GB1_16 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 133 + CG1_GB1_6 OG1_GB1_16 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 137 + CG1_GB1_6 C_GB1_16 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 139 CG1_GB1_6 O_GB1_16 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.139949e-04 0.004395 0.007862 True md_ensemble 7 53 140 - CG1_GB1_6 N_GB1_17 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 141 - CG1_GB1_6 OG1_GB1_17 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 145 - CG1_GB1_6 C_GB1_17 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 147 + CG1_GB1_6 N_GB1_17 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 141 + CG1_GB1_6 OG1_GB1_17 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 145 + CG1_GB1_6 C_GB1_17 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 147 CG1_GB1_6 O_GB1_17 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000379e-04 0.004395 0.007862 True md_ensemble 7 53 148 - CG1_GB1_6 N_GB1_18 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 149 - CG1_GB1_6 OG1_GB1_18 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 153 - CG1_GB1_6 C_GB1_18 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 155 + CG1_GB1_6 N_GB1_18 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 149 + CG1_GB1_6 OG1_GB1_18 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 153 + CG1_GB1_6 C_GB1_18 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 155 CG1_GB1_6 O_GB1_18 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.987046e-04 0.004395 0.007862 True md_ensemble 7 53 156 - CG1_GB1_6 N_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 157 - CG1_GB1_6 CD_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 162 - CG1_GB1_6 OE1_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 163 - CG1_GB1_6 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 164 - CG1_GB1_6 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 165 + CG1_GB1_6 N_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 157 + CG1_GB1_6 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 162 + CG1_GB1_6 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 163 + CG1_GB1_6 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 164 + CG1_GB1_6 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 165 CG1_GB1_6 O_GB1_19 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.999010e-04 0.004395 0.007862 True md_ensemble 7 53 166 - CG1_GB1_6 N_GB1_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 167 - CG1_GB1_6 C_GB1_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 171 + CG1_GB1_6 N_GB1_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 167 + CG1_GB1_6 C_GB1_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 171 CG1_GB1_6 O_GB1_20 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.041743e-04 0.004395 0.007862 True md_ensemble 7 53 172 - CG1_GB1_6 N_GB1_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 173 - CG1_GB1_6 C_GB1_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 179 + CG1_GB1_6 N_GB1_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 173 + CG1_GB1_6 C_GB1_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 179 CG1_GB1_6 O_GB1_21 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 53 180 - CG1_GB1_6 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 181 - CG1_GB1_6 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 185 - CG1_GB1_6 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 186 - CG1_GB1_6 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 187 - CG1_GB1_6 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 188 + CG1_GB1_6 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 181 + CG1_GB1_6 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 185 + CG1_GB1_6 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 186 + CG1_GB1_6 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 187 + CG1_GB1_6 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 188 CG1_GB1_6 O_GB1_22 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.000889e-04 0.004395 0.007862 True md_ensemble 7 53 189 - CG1_GB1_6 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 190 - CG1_GB1_6 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 194 + CG1_GB1_6 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 190 + CG1_GB1_6 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 194 CG1_GB1_6 O_GB1_23 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.775369e-04 0.004395 0.007862 True md_ensemble 7 53 195 - CG1_GB1_6 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 196 - CG1_GB1_6 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 200 + CG1_GB1_6 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 196 + CG1_GB1_6 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 200 CG1_GB1_6 O_GB1_24 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.008433e-04 0.004395 0.007862 True md_ensemble 7 53 201 - CG1_GB1_6 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 202 - CG1_GB1_6 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 206 - CG1_GB1_6 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 208 + CG1_GB1_6 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 202 + CG1_GB1_6 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 206 + CG1_GB1_6 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 208 CG1_GB1_6 O_GB1_25 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.506605e-04 0.004395 0.007862 True md_ensemble 7 53 209 - CG1_GB1_6 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 210 - CG1_GB1_6 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 214 + CG1_GB1_6 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 210 + CG1_GB1_6 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 214 CG1_GB1_6 O_GB1_26 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.000079e-04 0.004395 0.007862 True md_ensemble 7 53 215 - CG1_GB1_6 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 216 - CG1_GB1_6 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 221 - CG1_GB1_6 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 222 - CG1_GB1_6 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 223 - CG1_GB1_6 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 224 + CG1_GB1_6 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 216 + CG1_GB1_6 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 221 + CG1_GB1_6 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 222 + CG1_GB1_6 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 223 + CG1_GB1_6 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 224 CG1_GB1_6 O_GB1_27 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.838369e-04 0.004395 0.007862 True md_ensemble 7 53 225 - CG1_GB1_6 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 226 - CG1_GB1_6 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 233 - CG1_GB1_6 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 234 + CG1_GB1_6 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 226 + CG1_GB1_6 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 233 + CG1_GB1_6 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 234 CG1_GB1_6 O_GB1_28 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000640e-04 0.004395 0.007862 True md_ensemble 7 53 235 - CG1_GB1_6 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 236 - CG1_GB1_6 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 242 + CG1_GB1_6 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 236 + CG1_GB1_6 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 242 CG1_GB1_6 O_GB1_29 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.448290e-06 0.004395 0.007862 True md_ensemble 7 53 243 - CG1_GB1_6 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 244 - CG1_GB1_6 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 254 + CG1_GB1_6 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 244 + CG1_GB1_6 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 254 CG1_GB1_6 O_GB1_30 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.143050e-04 0.004395 0.007862 True md_ensemble 7 53 255 - CG1_GB1_6 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 256 - CG1_GB1_6 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 263 - CG1_GB1_6 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 264 + CG1_GB1_6 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 256 + CG1_GB1_6 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 263 + CG1_GB1_6 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 264 CG1_GB1_6 O_GB1_31 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 8.546868e-06 0.004395 0.007862 True md_ensemble 7 53 265 - CG1_GB1_6 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 266 - CG1_GB1_6 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 271 + CG1_GB1_6 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 266 + CG1_GB1_6 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 271 CG1_GB1_6 OE1_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.172669e-04 0.004395 0.007862 True md_ensemble 7 53 272 - CG1_GB1_6 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 273 - CG1_GB1_6 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 274 + CG1_GB1_6 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 273 + CG1_GB1_6 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 274 CG1_GB1_6 O_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000425e-04 0.004395 0.007862 True md_ensemble 7 53 275 - CG1_GB1_6 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 276 - CG1_GB1_6 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 286 - CG1_GB1_6 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 287 + CG1_GB1_6 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 276 + CG1_GB1_6 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 286 + CG1_GB1_6 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 287 CG1_GB1_6 O_GB1_33 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.909473e-04 0.004395 0.007862 True md_ensemble 7 53 288 - CG1_GB1_6 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 289 - CG1_GB1_6 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 293 + CG1_GB1_6 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 289 + CG1_GB1_6 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 293 CG1_GB1_6 O_GB1_34 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.699926e-04 0.004395 0.007862 True md_ensemble 7 53 294 - CG1_GB1_6 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 295 - CG1_GB1_6 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 299 + CG1_GB1_6 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 295 + CG1_GB1_6 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 299 CG1_GB1_6 OD1_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.442809e-04 0.004395 0.007862 True md_ensemble 7 53 300 - CG1_GB1_6 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 301 - CG1_GB1_6 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 302 + CG1_GB1_6 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 301 + CG1_GB1_6 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 302 CG1_GB1_6 O_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 8.505904e-05 0.004395 0.007862 True md_ensemble 7 53 303 - CG1_GB1_6 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 304 - CG1_GB1_6 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 308 - CG1_GB1_6 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 309 - CG1_GB1_6 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 310 - CG1_GB1_6 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 311 + CG1_GB1_6 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 304 + CG1_GB1_6 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 308 + CG1_GB1_6 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 309 + CG1_GB1_6 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 310 + CG1_GB1_6 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 311 CG1_GB1_6 O_GB1_36 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.365287e-05 0.004395 0.007862 True md_ensemble 7 53 312 - CG1_GB1_6 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 313 - CG1_GB1_6 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 317 + CG1_GB1_6 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 313 + CG1_GB1_6 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 317 CG1_GB1_6 OD1_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.830979e-06 0.004395 0.007862 True md_ensemble 7 53 318 - CG1_GB1_6 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 319 - CG1_GB1_6 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 320 + CG1_GB1_6 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 319 + CG1_GB1_6 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 320 CG1_GB1_6 O_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 53 321 - CG1_GB1_6 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 322 - CG1_GB1_6 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 325 + CG1_GB1_6 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 322 + CG1_GB1_6 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 325 CG1_GB1_6 O_GB1_38 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.951097e-07 0.004395 0.007862 True md_ensemble 7 53 326 - CG1_GB1_6 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 327 - CG1_GB1_6 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 333 + CG1_GB1_6 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 327 + CG1_GB1_6 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 333 CG1_GB1_6 O_GB1_39 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 53 334 - CG1_GB1_6 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 335 - CG1_GB1_6 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 339 - CG1_GB1_6 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 340 - CG1_GB1_6 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 341 - CG1_GB1_6 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 342 + CG1_GB1_6 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 335 + CG1_GB1_6 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 339 + CG1_GB1_6 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 340 + CG1_GB1_6 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 341 + CG1_GB1_6 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 342 CG1_GB1_6 O_GB1_40 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.044384e-04 0.004395 0.007862 True md_ensemble 7 53 343 - CG1_GB1_6 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 344 - CG1_GB1_6 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 347 + CG1_GB1_6 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 344 + CG1_GB1_6 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 347 CG1_GB1_6 O_GB1_41 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.999685e-04 0.004395 0.007862 True md_ensemble 7 53 348 - CG1_GB1_6 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 349 - CG1_GB1_6 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 354 - CG1_GB1_6 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 355 - CG1_GB1_6 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 356 - CG1_GB1_6 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 357 + CG1_GB1_6 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 349 + CG1_GB1_6 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 354 + CG1_GB1_6 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 355 + CG1_GB1_6 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 356 + CG1_GB1_6 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 357 CG1_GB1_6 O_GB1_42 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 53 358 - CG1_GB1_6 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 359 - CG1_GB1_6 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 366 - CG1_GB1_6 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 372 + CG1_GB1_6 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 359 + CG1_GB1_6 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 366 + CG1_GB1_6 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 372 CG1_GB1_6 O_GB1_43 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 53 373 - CG1_GB1_6 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 374 - CG1_GB1_6 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 378 - CG1_GB1_6 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 380 + CG1_GB1_6 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 374 + CG1_GB1_6 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 378 + CG1_GB1_6 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 380 CG1_GB1_6 O_GB1_44 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.994741e-05 0.004395 0.007862 True md_ensemble 7 53 381 - CG1_GB1_6 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 382 - CG1_GB1_6 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 392 - CG1_GB1_6 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 393 + CG1_GB1_6 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 382 + CG1_GB1_6 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 392 + CG1_GB1_6 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 393 CG1_GB1_6 O_GB1_45 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 53 394 - CG1_GB1_6 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 395 - CG1_GB1_6 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 399 - CG1_GB1_6 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 400 - CG1_GB1_6 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 401 - CG1_GB1_6 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 402 + CG1_GB1_6 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 395 + CG1_GB1_6 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 399 + CG1_GB1_6 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 400 + CG1_GB1_6 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 401 + CG1_GB1_6 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 402 CG1_GB1_6 O_GB1_46 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 53 403 - CG1_GB1_6 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 404 - CG1_GB1_6 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 408 - CG1_GB1_6 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 409 - CG1_GB1_6 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 410 - CG1_GB1_6 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 411 + CG1_GB1_6 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 404 + CG1_GB1_6 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 408 + CG1_GB1_6 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 409 + CG1_GB1_6 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 410 + CG1_GB1_6 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 411 CG1_GB1_6 O_GB1_47 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 53 412 - CG1_GB1_6 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 413 - CG1_GB1_6 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 417 + CG1_GB1_6 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 413 + CG1_GB1_6 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 417 CG1_GB1_6 O_GB1_48 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000657e-04 0.004395 0.007862 True md_ensemble 7 53 418 - CG1_GB1_6 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 419 - CG1_GB1_6 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 423 - CG1_GB1_6 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 425 + CG1_GB1_6 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 419 + CG1_GB1_6 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 423 + CG1_GB1_6 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 425 CG1_GB1_6 O_GB1_49 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 53 426 - CG1_GB1_6 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 427 - CG1_GB1_6 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 434 - CG1_GB1_6 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 435 + CG1_GB1_6 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 427 + CG1_GB1_6 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 434 + CG1_GB1_6 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 435 CG1_GB1_6 O_GB1_50 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.145827e-04 0.004395 0.007862 True md_ensemble 7 53 436 - CG1_GB1_6 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 437 + CG1_GB1_6 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 437 CG1_GB1_6 CA_GB1_51 1 2.541997e-02 5.451066e-04 ; 5.270895e-01 2.963526e-01 3.535064e-01 9.989030e-05 0.004395 0.007117 True md_ensemble 7 53 439 CG1_GB1_6 CB_GB1_51 1 1.508725e-02 1.634904e-04 ; 4.704141e-01 3.480712e-01 9.633042e-01 3.761489e-04 0.004395 0.007117 True md_ensemble 7 53 440 CG1_GB1_6 OG1_GB1_51 1 2.455035e-03 1.488797e-05 ; 4.270345e-01 1.012092e-01 8.047952e-03 1.974874e-04 0.004395 0.001132 True md_ensemble 7 53 441 CG1_GB1_6 CG2_GB1_51 1 1.916480e-03 2.630476e-06 ; 3.333663e-01 3.490714e-01 9.821623e-01 4.001146e-04 0.004395 0.012151 True md_ensemble 7 53 442 - CG1_GB1_6 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 443 + CG1_GB1_6 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 443 CG1_GB1_6 O_GB1_51 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 53 444 - CG1_GB1_6 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 445 + CG1_GB1_6 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 445 CG1_GB1_6 CA_GB1_52 1 2.254231e-02 4.802397e-04 ; 5.265140e-01 2.645324e-01 1.907813e-01 1.000178e-04 0.004395 0.007117 True md_ensemble 7 53 447 CG1_GB1_6 C_GB1_52 1 9.325293e-03 6.829087e-05 ; 4.406733e-01 3.183482e-01 5.414467e-01 2.845952e-05 0.004395 0.001132 True md_ensemble 7 53 455 CG1_GB1_6 O_GB1_52 1 2.476416e-03 4.465086e-06 ; 3.488733e-01 3.433662e-01 8.793397e-01 0.000000e+00 0.004395 0.007862 True md_ensemble 7 53 456 @@ -9289,26 +9289,26 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CG1_GB1_6 CG2_GB1_53 1 9.495940e-03 6.868039e-05 ; 4.397601e-01 3.282337e-01 6.558005e-01 4.256543e-04 0.004395 0.012151 True md_ensemble 7 53 462 CG1_GB1_6 C_GB1_53 1 2.614893e-03 2.009360e-05 ; 4.442226e-01 8.507266e-02 5.886380e-03 1.000449e-04 0.004395 0.001132 True md_ensemble 7 53 463 CG1_GB1_6 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000458e-04 0.004395 0.007862 True md_ensemble 7 53 464 - CG1_GB1_6 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 465 - CG1_GB1_6 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 471 + CG1_GB1_6 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 465 + CG1_GB1_6 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 471 CG1_GB1_6 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.985703e-05 0.004395 0.007862 True md_ensemble 7 53 472 - CG1_GB1_6 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 473 - CG1_GB1_6 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 477 - CG1_GB1_6 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 479 + CG1_GB1_6 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 473 + CG1_GB1_6 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 477 + CG1_GB1_6 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 479 CG1_GB1_6 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.071213e-06 0.004395 0.007862 True md_ensemble 7 53 480 - CG1_GB1_6 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 481 - CG1_GB1_6 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 486 - CG1_GB1_6 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 487 - CG1_GB1_6 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 488 - CG1_GB1_6 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 489 - CG1_GB1_6 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 490 - CG1_GB1_6 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 491 - CG2_GB1_6 C_GB1_6 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 56 - CG2_GB1_6 O_GB1_6 1 0.000000e+00 1.344347e-06 ; 2.887604e-01 -1.344347e-06 9.993181e-01 8.931711e-01 0.004395 0.001132 True md_ensemble 4 54 57 - CG2_GB1_6 N_GB1_7 1 0.000000e+00 2.657290e-06 ; 3.056316e-01 -2.657290e-06 1.000000e+00 9.687793e-01 0.004395 0.001132 True md_ensemble 4 54 58 - CG2_GB1_6 CA_GB1_7 1 0.000000e+00 1.821496e-05 ; 3.588096e-01 -1.821496e-05 9.974220e-01 7.647582e-01 0.004395 0.001132 True md_ensemble 5 54 60 - CG2_GB1_6 CB_GB1_7 1 0.000000e+00 1.203288e-05 ; 3.466244e-01 -1.203288e-05 1.639758e-01 2.085141e-01 0.004395 0.001132 True md_ensemble 6 54 61 - CG2_GB1_6 C_GB1_7 1 0.000000e+00 1.582619e-06 ; 2.927137e-01 -1.582619e-06 9.655109e-01 3.003777e-01 0.004395 0.001132 True md_ensemble 6 54 65 + CG1_GB1_6 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 481 + CG1_GB1_6 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 486 + CG1_GB1_6 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 487 + CG1_GB1_6 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 488 + CG1_GB1_6 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 489 + CG1_GB1_6 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 490 + CG1_GB1_6 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 53 491 + CG2_GB1_6 C_GB1_6 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 56 + CG2_GB1_6 O_GB1_6 1 0.000000e+00 1.344348e-06 ; 2.887604e-01 -1.344348e-06 9.993181e-01 8.931711e-01 0.004395 0.001132 True md_ensemble 4 54 57 + CG2_GB1_6 N_GB1_7 1 0.000000e+00 2.657265e-06 ; 3.056314e-01 -2.657265e-06 1.000000e+00 9.687793e-01 0.004395 0.001132 True md_ensemble 4 54 58 + CG2_GB1_6 CA_GB1_7 1 0.000000e+00 1.821495e-05 ; 3.588096e-01 -1.821495e-05 9.974220e-01 7.647582e-01 0.004395 0.001132 True md_ensemble 5 54 60 + CG2_GB1_6 CB_GB1_7 1 0.000000e+00 1.203274e-05 ; 3.466241e-01 -1.203274e-05 1.639758e-01 2.085141e-01 0.004395 0.001132 True md_ensemble 6 54 61 + CG2_GB1_6 C_GB1_7 1 0.000000e+00 1.582599e-06 ; 2.927134e-01 -1.582599e-06 9.655109e-01 3.003777e-01 0.004395 0.001132 True md_ensemble 6 54 65 CG2_GB1_6 O_GB1_7 1 1.342502e-03 2.737793e-06 ; 3.561074e-01 1.645770e-01 6.121311e-01 1.750801e-01 0.004395 0.007862 True md_ensemble 7 54 66 CG2_GB1_6 N_GB1_8 1 1.272794e-03 5.388560e-06 ; 4.022096e-01 7.515946e-02 5.903038e-01 1.375261e-01 0.004395 0.001132 True md_ensemble 7 54 67 CG2_GB1_6 CA_GB1_8 1 8.737310e-03 9.948025e-05 ; 4.743074e-01 1.918486e-01 8.345081e-01 1.925319e-01 0.004395 0.010759 True md_ensemble 7 54 69 @@ -9316,29 +9316,29 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CG2_GB1_6 CG_GB1_8 1 9.859848e-04 1.832895e-06 ; 3.506533e-01 1.325998e-01 9.009864e-01 6.894403e-02 0.004395 0.001132 True md_ensemble 7 54 71 CG2_GB1_6 OD1_GB1_8 1 7.548038e-04 5.897836e-07 ; 3.034891e-01 2.414991e-01 8.117799e-01 5.227603e-02 0.004395 0.007862 True md_ensemble 7 54 72 CG2_GB1_6 ND2_GB1_8 1 5.663099e-04 5.956349e-07 ; 3.188999e-01 1.346071e-01 9.009680e-01 6.631165e-02 0.004395 0.001132 True md_ensemble 7 54 73 - CG2_GB1_6 C_GB1_8 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 74 + CG2_GB1_6 C_GB1_8 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 74 CG2_GB1_6 O_GB1_8 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 75 - CG2_GB1_6 N_GB1_9 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 76 - CG2_GB1_6 C_GB1_9 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 79 + CG2_GB1_6 N_GB1_9 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 76 + CG2_GB1_6 C_GB1_9 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 79 CG2_GB1_6 O_GB1_9 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 80 - CG2_GB1_6 N_GB1_10 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 81 - CG2_GB1_6 NZ_GB1_10 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 88 - CG2_GB1_6 C_GB1_10 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 89 + CG2_GB1_6 N_GB1_10 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 81 + CG2_GB1_6 NZ_GB1_10 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 88 + CG2_GB1_6 C_GB1_10 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 89 CG2_GB1_6 O_GB1_10 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 90 - CG2_GB1_6 N_GB1_11 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 91 - CG2_GB1_6 OG1_GB1_11 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 95 - CG2_GB1_6 C_GB1_11 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 97 + CG2_GB1_6 N_GB1_11 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 91 + CG2_GB1_6 OG1_GB1_11 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 95 + CG2_GB1_6 C_GB1_11 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 97 CG2_GB1_6 O_GB1_11 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 98 - CG2_GB1_6 N_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 99 - CG2_GB1_6 C_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 106 + CG2_GB1_6 N_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 99 + CG2_GB1_6 C_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 106 CG2_GB1_6 O_GB1_12 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 107 - CG2_GB1_6 N_GB1_13 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 108 + CG2_GB1_6 N_GB1_13 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 108 CG2_GB1_6 CA_GB1_13 1 6.046142e-03 9.020070e-05 ; 4.961602e-01 1.013180e-01 8.064945e-03 3.850001e-03 0.004395 0.010759 True md_ensemble 7 54 110 CG2_GB1_6 CG_GB1_13 1 2.074829e-03 6.470518e-06 ; 3.822312e-01 1.663281e-01 2.843509e-02 4.172258e-03 0.004395 0.012151 True md_ensemble 7 54 112 CG2_GB1_6 CD_GB1_13 1 2.427978e-03 8.266086e-06 ; 3.878608e-01 1.782911e-01 3.585573e-02 6.083518e-03 0.004395 0.012151 True md_ensemble 7 54 113 CG2_GB1_6 CE_GB1_13 1 1.916991e-03 4.409361e-06 ; 3.633228e-01 2.083553e-01 6.421526e-02 7.623656e-03 0.004395 0.012151 True md_ensemble 7 54 114 CG2_GB1_6 NZ_GB1_13 1 7.825590e-04 1.084690e-06 ; 3.339115e-01 1.411461e-01 7.354383e-02 4.768505e-03 0.004395 0.001132 True md_ensemble 7 54 115 - CG2_GB1_6 C_GB1_13 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 116 + CG2_GB1_6 C_GB1_13 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 116 CG2_GB1_6 O_GB1_13 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 117 CG2_GB1_6 N_GB1_14 1 1.918812e-03 1.064295e-05 ; 4.207314e-01 8.648546e-02 6.666435e-03 1.246985e-03 0.004395 0.001132 True md_ensemble 7 54 118 CG2_GB1_6 CA_GB1_14 1 7.488220e-03 6.506433e-05 ; 4.534131e-01 2.154538e-01 7.368745e-02 3.954384e-03 0.004395 0.012151 True md_ensemble 7 54 120 @@ -9351,165 +9351,165 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CG2_GB1_6 CD_GB1_15 1 3.903922e-03 2.109169e-05 ; 4.188917e-01 1.806470e-01 7.861507e-02 2.370412e-03 0.004395 0.001132 True md_ensemble 7 54 128 CG2_GB1_6 OE1_GB1_15 1 8.738866e-04 1.356553e-06 ; 3.402752e-01 1.407386e-01 2.480853e-02 1.621313e-03 0.004395 0.001132 True md_ensemble 7 54 129 CG2_GB1_6 OE2_GB1_15 1 8.738866e-04 1.356553e-06 ; 3.402752e-01 1.407386e-01 2.480853e-02 1.621313e-03 0.004395 0.001132 True md_ensemble 7 54 130 - CG2_GB1_6 C_GB1_15 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 131 + CG2_GB1_6 C_GB1_15 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 131 CG2_GB1_6 O_GB1_15 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 132 - CG2_GB1_6 N_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 133 - CG2_GB1_6 OG1_GB1_16 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 137 - CG2_GB1_6 C_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 139 + CG2_GB1_6 N_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 133 + CG2_GB1_6 OG1_GB1_16 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 137 + CG2_GB1_6 C_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 139 CG2_GB1_6 O_GB1_16 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 140 - CG2_GB1_6 N_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 141 - CG2_GB1_6 OG1_GB1_17 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 145 - CG2_GB1_6 C_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 147 + CG2_GB1_6 N_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 141 + CG2_GB1_6 OG1_GB1_17 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 145 + CG2_GB1_6 C_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 147 CG2_GB1_6 O_GB1_17 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 148 - CG2_GB1_6 N_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 149 - CG2_GB1_6 OG1_GB1_18 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 153 - CG2_GB1_6 C_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 155 + CG2_GB1_6 N_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 149 + CG2_GB1_6 OG1_GB1_18 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 153 + CG2_GB1_6 C_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 155 CG2_GB1_6 O_GB1_18 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 156 - CG2_GB1_6 N_GB1_19 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 157 - CG2_GB1_6 CD_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 162 + CG2_GB1_6 N_GB1_19 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 157 + CG2_GB1_6 CD_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 162 CG2_GB1_6 OE1_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 163 CG2_GB1_6 OE2_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 164 - CG2_GB1_6 C_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 165 + CG2_GB1_6 C_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 165 CG2_GB1_6 O_GB1_19 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 166 - CG2_GB1_6 N_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 167 - CG2_GB1_6 C_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 171 + CG2_GB1_6 N_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 167 + CG2_GB1_6 C_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 171 CG2_GB1_6 O_GB1_20 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 172 - CG2_GB1_6 N_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 173 - CG2_GB1_6 C_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 179 + CG2_GB1_6 N_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 173 + CG2_GB1_6 C_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 179 CG2_GB1_6 O_GB1_21 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 180 - CG2_GB1_6 N_GB1_22 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 181 - CG2_GB1_6 CG_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 185 + CG2_GB1_6 N_GB1_22 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 181 + CG2_GB1_6 CG_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 185 CG2_GB1_6 OD1_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 186 CG2_GB1_6 OD2_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 187 - CG2_GB1_6 C_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 188 + CG2_GB1_6 C_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 188 CG2_GB1_6 O_GB1_22 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 189 - CG2_GB1_6 N_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 190 - CG2_GB1_6 C_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 194 + CG2_GB1_6 N_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 190 + CG2_GB1_6 C_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 194 CG2_GB1_6 O_GB1_23 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 195 - CG2_GB1_6 N_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 196 - CG2_GB1_6 C_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 200 + CG2_GB1_6 N_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 196 + CG2_GB1_6 C_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 200 CG2_GB1_6 O_GB1_24 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 201 - CG2_GB1_6 N_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 202 - CG2_GB1_6 OG1_GB1_25 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 206 - CG2_GB1_6 C_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 208 + CG2_GB1_6 N_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 202 + CG2_GB1_6 OG1_GB1_25 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 206 + CG2_GB1_6 C_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 208 CG2_GB1_6 O_GB1_25 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 209 - CG2_GB1_6 N_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 210 - CG2_GB1_6 C_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 214 + CG2_GB1_6 N_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 210 + CG2_GB1_6 C_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 214 CG2_GB1_6 O_GB1_26 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 215 - CG2_GB1_6 N_GB1_27 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 216 - CG2_GB1_6 CD_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 221 + CG2_GB1_6 N_GB1_27 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 216 + CG2_GB1_6 CD_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 221 CG2_GB1_6 OE1_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 222 CG2_GB1_6 OE2_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 223 - CG2_GB1_6 C_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 224 + CG2_GB1_6 C_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 224 CG2_GB1_6 O_GB1_27 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 225 - CG2_GB1_6 N_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 226 - CG2_GB1_6 NZ_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 233 - CG2_GB1_6 C_GB1_28 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 234 + CG2_GB1_6 N_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 226 + CG2_GB1_6 NZ_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 233 + CG2_GB1_6 C_GB1_28 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 234 CG2_GB1_6 O_GB1_28 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 235 - CG2_GB1_6 N_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 236 - CG2_GB1_6 C_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 242 + CG2_GB1_6 N_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 236 + CG2_GB1_6 C_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 242 CG2_GB1_6 O_GB1_29 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 243 - CG2_GB1_6 N_GB1_30 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 244 - CG2_GB1_6 C_GB1_30 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 254 + CG2_GB1_6 N_GB1_30 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 244 + CG2_GB1_6 C_GB1_30 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 254 CG2_GB1_6 O_GB1_30 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 255 - CG2_GB1_6 N_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 256 - CG2_GB1_6 NZ_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 263 - CG2_GB1_6 C_GB1_31 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 264 + CG2_GB1_6 N_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 256 + CG2_GB1_6 NZ_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 263 + CG2_GB1_6 C_GB1_31 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 264 CG2_GB1_6 O_GB1_31 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 265 - CG2_GB1_6 N_GB1_32 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 266 - CG2_GB1_6 CD_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 271 + CG2_GB1_6 N_GB1_32 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 266 + CG2_GB1_6 CD_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 271 CG2_GB1_6 OE1_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 272 - CG2_GB1_6 NE2_GB1_32 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 273 - CG2_GB1_6 C_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 274 + CG2_GB1_6 NE2_GB1_32 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 273 + CG2_GB1_6 C_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 274 CG2_GB1_6 O_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 275 - CG2_GB1_6 N_GB1_33 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 276 - CG2_GB1_6 OH_GB1_33 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 286 - CG2_GB1_6 C_GB1_33 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 287 + CG2_GB1_6 N_GB1_33 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 276 + CG2_GB1_6 OH_GB1_33 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 286 + CG2_GB1_6 C_GB1_33 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 287 CG2_GB1_6 O_GB1_33 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 288 - CG2_GB1_6 N_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 289 - CG2_GB1_6 C_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 293 + CG2_GB1_6 N_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 289 + CG2_GB1_6 C_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 293 CG2_GB1_6 O_GB1_34 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 294 - CG2_GB1_6 N_GB1_35 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 295 - CG2_GB1_6 CG_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 299 + CG2_GB1_6 N_GB1_35 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 295 + CG2_GB1_6 CG_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 299 CG2_GB1_6 OD1_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 300 - CG2_GB1_6 ND2_GB1_35 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 301 - CG2_GB1_6 C_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 302 + CG2_GB1_6 ND2_GB1_35 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 301 + CG2_GB1_6 C_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 302 CG2_GB1_6 O_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 303 - CG2_GB1_6 N_GB1_36 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 304 - CG2_GB1_6 CG_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 308 + CG2_GB1_6 N_GB1_36 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 304 + CG2_GB1_6 CG_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 308 CG2_GB1_6 OD1_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 309 CG2_GB1_6 OD2_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 310 - CG2_GB1_6 C_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 311 + CG2_GB1_6 C_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 311 CG2_GB1_6 O_GB1_36 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 312 - CG2_GB1_6 N_GB1_37 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 313 - CG2_GB1_6 CG_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 317 + CG2_GB1_6 N_GB1_37 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 313 + CG2_GB1_6 CG_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 317 CG2_GB1_6 OD1_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 318 - CG2_GB1_6 ND2_GB1_37 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 319 - CG2_GB1_6 C_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 320 + CG2_GB1_6 ND2_GB1_37 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 319 + CG2_GB1_6 C_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 320 CG2_GB1_6 O_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 321 - CG2_GB1_6 N_GB1_38 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 322 - CG2_GB1_6 C_GB1_38 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 325 + CG2_GB1_6 N_GB1_38 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 322 + CG2_GB1_6 C_GB1_38 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 325 CG2_GB1_6 O_GB1_38 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 326 - CG2_GB1_6 N_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 327 - CG2_GB1_6 C_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 333 + CG2_GB1_6 N_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 327 + CG2_GB1_6 C_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 333 CG2_GB1_6 O_GB1_39 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 334 - CG2_GB1_6 N_GB1_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 335 - CG2_GB1_6 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 339 + CG2_GB1_6 N_GB1_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 335 + CG2_GB1_6 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 339 CG2_GB1_6 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 340 CG2_GB1_6 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 341 - CG2_GB1_6 C_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 342 + CG2_GB1_6 C_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 342 CG2_GB1_6 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 343 - CG2_GB1_6 N_GB1_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 344 - CG2_GB1_6 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 347 + CG2_GB1_6 N_GB1_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 344 + CG2_GB1_6 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 347 CG2_GB1_6 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 348 - CG2_GB1_6 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 349 - CG2_GB1_6 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 354 + CG2_GB1_6 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 349 + CG2_GB1_6 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 354 CG2_GB1_6 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 355 CG2_GB1_6 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 356 - CG2_GB1_6 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 357 + CG2_GB1_6 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 357 CG2_GB1_6 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 358 - CG2_GB1_6 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 359 - CG2_GB1_6 NE1_GB1_43 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 366 - CG2_GB1_6 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 372 + CG2_GB1_6 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 359 + CG2_GB1_6 NE1_GB1_43 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 366 + CG2_GB1_6 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 372 CG2_GB1_6 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 373 - CG2_GB1_6 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 374 - CG2_GB1_6 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 378 - CG2_GB1_6 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 380 + CG2_GB1_6 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 374 + CG2_GB1_6 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 378 + CG2_GB1_6 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 380 CG2_GB1_6 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 381 - CG2_GB1_6 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 382 - CG2_GB1_6 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 392 - CG2_GB1_6 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 393 + CG2_GB1_6 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 382 + CG2_GB1_6 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 392 + CG2_GB1_6 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 393 CG2_GB1_6 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 394 - CG2_GB1_6 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 395 - CG2_GB1_6 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 399 + CG2_GB1_6 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 395 + CG2_GB1_6 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 399 CG2_GB1_6 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 400 CG2_GB1_6 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 401 - CG2_GB1_6 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 402 + CG2_GB1_6 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 402 CG2_GB1_6 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 403 - CG2_GB1_6 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 404 - CG2_GB1_6 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 408 + CG2_GB1_6 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 404 + CG2_GB1_6 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 408 CG2_GB1_6 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 409 CG2_GB1_6 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 410 - CG2_GB1_6 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 411 + CG2_GB1_6 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 411 CG2_GB1_6 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 412 - CG2_GB1_6 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 413 - CG2_GB1_6 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 417 + CG2_GB1_6 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 413 + CG2_GB1_6 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 417 CG2_GB1_6 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 418 - CG2_GB1_6 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 419 - CG2_GB1_6 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 423 - CG2_GB1_6 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 425 + CG2_GB1_6 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 419 + CG2_GB1_6 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 423 + CG2_GB1_6 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 425 CG2_GB1_6 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 426 - CG2_GB1_6 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 427 - CG2_GB1_6 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 434 - CG2_GB1_6 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 435 + CG2_GB1_6 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 427 + CG2_GB1_6 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 434 + CG2_GB1_6 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 435 CG2_GB1_6 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 436 - CG2_GB1_6 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 437 + CG2_GB1_6 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 437 CG2_GB1_6 CB_GB1_51 1 6.655517e-03 7.402022e-05 ; 4.724561e-01 1.496075e-01 2.056367e-02 5.020249e-04 0.004395 0.010759 True md_ensemble 7 54 440 - CG2_GB1_6 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 441 + CG2_GB1_6 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 441 CG2_GB1_6 CG2_GB1_51 1 1.342775e-03 2.290003e-06 ; 3.456518e-01 1.968387e-01 5.136794e-02 5.138569e-04 0.004395 0.020717 True md_ensemble 7 54 442 - CG2_GB1_6 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 443 + CG2_GB1_6 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 443 CG2_GB1_6 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 444 - CG2_GB1_6 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 445 + CG2_GB1_6 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 445 CG2_GB1_6 CA_GB1_52 1 8.729467e-03 1.419086e-04 ; 5.033114e-01 1.342477e-01 1.526872e-02 1.999024e-04 0.004395 0.010759 True md_ensemble 7 54 447 CG2_GB1_6 C_GB1_52 1 2.061354e-03 7.253157e-06 ; 3.899980e-01 1.464596e-01 1.934650e-02 1.000588e-04 0.004395 0.001132 True md_ensemble 7 54 455 CG2_GB1_6 O_GB1_52 1 7.259052e-04 7.984275e-07 ; 3.212866e-01 1.649926e-01 2.770843e-02 9.990687e-05 0.004395 0.007862 True md_ensemble 7 54 456 @@ -9522,51 +9522,51 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CG2_GB1_6 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 464 CG2_GB1_6 N_GB1_54 1 3.559617e-03 2.076902e-05 ; 4.242959e-01 1.525213e-01 2.175852e-02 4.668018e-05 0.004395 0.001132 True md_ensemble 7 54 465 CG2_GB1_6 CA_GB1_54 1 8.292724e-03 1.634602e-04 ; 5.197396e-01 1.051774e-01 8.691387e-03 6.982203e-04 0.004395 0.010759 True md_ensemble 7 54 467 - CG2_GB1_6 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 471 + CG2_GB1_6 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 471 CG2_GB1_6 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 472 - CG2_GB1_6 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 473 - CG2_GB1_6 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 477 - CG2_GB1_6 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 479 + CG2_GB1_6 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 473 + CG2_GB1_6 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 477 + CG2_GB1_6 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 479 CG2_GB1_6 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 480 - CG2_GB1_6 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 481 - CG2_GB1_6 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 486 + CG2_GB1_6 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 481 + CG2_GB1_6 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 486 CG2_GB1_6 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 487 CG2_GB1_6 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 488 - CG2_GB1_6 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 489 + CG2_GB1_6 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 489 CG2_GB1_6 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 490 CG2_GB1_6 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 54 491 - CD_GB1_6 C_GB1_6 1 0.000000e+00 4.814598e-06 ; 3.211503e-01 -4.814598e-06 9.244787e-01 9.432007e-01 0.004395 0.001132 True md_ensemble 4 55 56 + CD_GB1_6 C_GB1_6 1 0.000000e+00 4.814535e-06 ; 3.211500e-01 -4.814535e-06 9.244787e-01 9.432007e-01 0.004395 0.001132 True md_ensemble 4 55 56 CD_GB1_6 O_GB1_6 1 0.000000e+00 1.842177e-06 ; 2.964417e-01 -1.842177e-06 9.998515e-03 2.348572e-01 0.004395 0.001132 True md_ensemble 5 55 57 - CD_GB1_6 N_GB1_7 1 0.000000e+00 3.176936e-06 ; 3.102147e-01 -3.176936e-06 6.219194e-02 2.204206e-01 0.004395 0.001132 True md_ensemble 5 55 58 - CD_GB1_6 CA_GB1_7 1 0.000000e+00 2.728710e-05 ; 3.711004e-01 -2.728710e-05 1.258475e-02 1.621005e-01 0.004395 0.001132 True md_ensemble 6 55 60 - CD_GB1_6 C_GB1_7 1 0.000000e+00 4.826834e-06 ; 3.212182e-01 -4.826834e-06 5.287817e-03 2.659878e-02 0.004395 0.001132 True md_ensemble 7 55 65 + CD_GB1_6 N_GB1_7 1 0.000000e+00 3.176906e-06 ; 3.102145e-01 -3.176906e-06 6.219194e-02 2.204206e-01 0.004395 0.001132 True md_ensemble 5 55 58 + CD_GB1_6 CA_GB1_7 1 0.000000e+00 2.728709e-05 ; 3.711004e-01 -2.728709e-05 1.258475e-02 1.621005e-01 0.004395 0.001132 True md_ensemble 6 55 60 + CD_GB1_6 C_GB1_7 1 0.000000e+00 4.826771e-06 ; 3.212179e-01 -4.826771e-06 5.287817e-03 2.659878e-02 0.004395 0.001132 True md_ensemble 7 55 65 CD_GB1_6 O_GB1_7 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 66 - CD_GB1_6 N_GB1_8 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 67 - CD_GB1_6 CG_GB1_8 1 0.000000e+00 4.829851e-06 ; 3.212350e-01 -4.829851e-06 1.531168e-02 3.726099e-02 0.004395 0.001132 True md_ensemble 7 55 71 + CD_GB1_6 N_GB1_8 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 67 + CD_GB1_6 CG_GB1_8 1 0.000000e+00 4.829788e-06 ; 3.212346e-01 -4.829788e-06 1.531168e-02 3.726099e-02 0.004395 0.001132 True md_ensemble 7 55 71 CD_GB1_6 OD1_GB1_8 1 0.000000e+00 1.531005e-06 ; 2.919060e-01 -1.531005e-06 1.475219e-02 3.271327e-02 0.004395 0.007862 True md_ensemble 7 55 72 - CD_GB1_6 ND2_GB1_8 1 0.000000e+00 4.767137e-06 ; 3.208853e-01 -4.767137e-06 3.159378e-02 4.074274e-02 0.004395 0.001132 True md_ensemble 7 55 73 - CD_GB1_6 C_GB1_8 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 74 + CD_GB1_6 ND2_GB1_8 1 0.000000e+00 4.767128e-06 ; 3.208852e-01 -4.767128e-06 3.159378e-02 4.074274e-02 0.004395 0.001132 True md_ensemble 7 55 73 + CD_GB1_6 C_GB1_8 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 74 CD_GB1_6 O_GB1_8 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 75 - CD_GB1_6 N_GB1_9 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 76 - CD_GB1_6 C_GB1_9 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 79 + CD_GB1_6 N_GB1_9 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 76 + CD_GB1_6 C_GB1_9 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 79 CD_GB1_6 O_GB1_9 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 80 - CD_GB1_6 N_GB1_10 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 81 - CD_GB1_6 NZ_GB1_10 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 88 - CD_GB1_6 C_GB1_10 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 89 + CD_GB1_6 N_GB1_10 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 81 + CD_GB1_6 NZ_GB1_10 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 88 + CD_GB1_6 C_GB1_10 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 89 CD_GB1_6 O_GB1_10 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 90 - CD_GB1_6 N_GB1_11 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 91 - CD_GB1_6 OG1_GB1_11 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 95 - CD_GB1_6 C_GB1_11 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 97 + CD_GB1_6 N_GB1_11 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 91 + CD_GB1_6 OG1_GB1_11 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 95 + CD_GB1_6 C_GB1_11 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 97 CD_GB1_6 O_GB1_11 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 98 - CD_GB1_6 N_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 99 - CD_GB1_6 C_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 106 + CD_GB1_6 N_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 99 + CD_GB1_6 C_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 106 CD_GB1_6 O_GB1_12 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 107 - CD_GB1_6 N_GB1_13 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 108 + CD_GB1_6 N_GB1_13 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 108 CD_GB1_6 CE_GB1_13 1 1.201585e-03 3.698712e-06 ; 3.814018e-01 9.758840e-02 7.502490e-03 8.922406e-03 0.004395 0.012151 True md_ensemble 7 55 114 - CD_GB1_6 NZ_GB1_13 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 115 - CD_GB1_6 C_GB1_13 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 116 + CD_GB1_6 NZ_GB1_13 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 115 + CD_GB1_6 C_GB1_13 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 116 CD_GB1_6 O_GB1_13 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 117 - CD_GB1_6 N_GB1_14 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 118 + CD_GB1_6 N_GB1_14 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 118 CD_GB1_6 CA_GB1_14 1 1.723517e-03 8.870840e-06 ; 4.155196e-01 8.371559e-02 5.733562e-03 5.517537e-03 0.004395 0.012151 True md_ensemble 7 55 120 CD_GB1_6 C_GB1_14 1 1.835997e-03 5.905695e-06 ; 3.842081e-01 1.426964e-01 3.883295e-02 2.443351e-03 0.004395 0.001132 True md_ensemble 7 55 121 CD_GB1_6 O_GB1_14 1 1.340844e-03 2.063276e-06 ; 3.397790e-01 2.178409e-01 7.717700e-02 2.086217e-03 0.004395 0.007862 True md_ensemble 7 55 122 @@ -9579,283 +9579,283 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CD_GB1_6 OE2_GB1_15 1 9.848933e-04 9.960220e-07 ; 3.168205e-01 2.434722e-01 1.985775e-01 1.771686e-03 0.004395 0.001132 True md_ensemble 7 55 130 CD_GB1_6 C_GB1_15 1 3.475830e-03 2.903332e-05 ; 4.504428e-01 1.040304e-01 8.500300e-03 5.167170e-04 0.004395 0.001132 True md_ensemble 7 55 131 CD_GB1_6 O_GB1_15 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 132 - CD_GB1_6 N_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 133 - CD_GB1_6 OG1_GB1_16 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 137 - CD_GB1_6 C_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 139 + CD_GB1_6 N_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 133 + CD_GB1_6 OG1_GB1_16 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 137 + CD_GB1_6 C_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 139 CD_GB1_6 O_GB1_16 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 140 - CD_GB1_6 N_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 141 - CD_GB1_6 OG1_GB1_17 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 145 - CD_GB1_6 C_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 147 + CD_GB1_6 N_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 141 + CD_GB1_6 OG1_GB1_17 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 145 + CD_GB1_6 C_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 147 CD_GB1_6 O_GB1_17 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 148 - CD_GB1_6 N_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 149 - CD_GB1_6 OG1_GB1_18 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 153 - CD_GB1_6 C_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 155 + CD_GB1_6 N_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 149 + CD_GB1_6 OG1_GB1_18 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 153 + CD_GB1_6 C_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 155 CD_GB1_6 O_GB1_18 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 156 - CD_GB1_6 N_GB1_19 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 157 - CD_GB1_6 CD_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 162 + CD_GB1_6 N_GB1_19 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 157 + CD_GB1_6 CD_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 162 CD_GB1_6 OE1_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 163 CD_GB1_6 OE2_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 164 - CD_GB1_6 C_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 165 + CD_GB1_6 C_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 165 CD_GB1_6 O_GB1_19 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 166 - CD_GB1_6 N_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 167 - CD_GB1_6 C_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 171 + CD_GB1_6 N_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 167 + CD_GB1_6 C_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 171 CD_GB1_6 O_GB1_20 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 172 - CD_GB1_6 N_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 173 - CD_GB1_6 C_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 179 + CD_GB1_6 N_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 173 + CD_GB1_6 C_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 179 CD_GB1_6 O_GB1_21 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 180 - CD_GB1_6 N_GB1_22 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 181 - CD_GB1_6 CG_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 185 + CD_GB1_6 N_GB1_22 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 181 + CD_GB1_6 CG_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 185 CD_GB1_6 OD1_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 186 CD_GB1_6 OD2_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 187 - CD_GB1_6 C_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 188 + CD_GB1_6 C_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 188 CD_GB1_6 O_GB1_22 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 189 - CD_GB1_6 N_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 190 - CD_GB1_6 C_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 194 + CD_GB1_6 N_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 190 + CD_GB1_6 C_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 194 CD_GB1_6 O_GB1_23 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 195 - CD_GB1_6 N_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 196 - CD_GB1_6 C_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 200 + CD_GB1_6 N_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 196 + CD_GB1_6 C_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 200 CD_GB1_6 O_GB1_24 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 201 - CD_GB1_6 N_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 202 - CD_GB1_6 OG1_GB1_25 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 206 - CD_GB1_6 C_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 208 + CD_GB1_6 N_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 202 + CD_GB1_6 OG1_GB1_25 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 206 + CD_GB1_6 C_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 208 CD_GB1_6 O_GB1_25 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 209 - CD_GB1_6 N_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 210 - CD_GB1_6 C_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 214 + CD_GB1_6 N_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 210 + CD_GB1_6 C_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 214 CD_GB1_6 O_GB1_26 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 215 - CD_GB1_6 N_GB1_27 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 216 - CD_GB1_6 CD_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 221 + CD_GB1_6 N_GB1_27 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 216 + CD_GB1_6 CD_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 221 CD_GB1_6 OE1_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 222 CD_GB1_6 OE2_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 223 - CD_GB1_6 C_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 224 + CD_GB1_6 C_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 224 CD_GB1_6 O_GB1_27 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 225 - CD_GB1_6 N_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 226 - CD_GB1_6 NZ_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 233 - CD_GB1_6 C_GB1_28 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 234 + CD_GB1_6 N_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 226 + CD_GB1_6 NZ_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 233 + CD_GB1_6 C_GB1_28 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 234 CD_GB1_6 O_GB1_28 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 235 - CD_GB1_6 N_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 236 - CD_GB1_6 C_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 242 + CD_GB1_6 N_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 236 + CD_GB1_6 C_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 242 CD_GB1_6 O_GB1_29 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 243 - CD_GB1_6 N_GB1_30 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 244 - CD_GB1_6 C_GB1_30 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 254 + CD_GB1_6 N_GB1_30 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 244 + CD_GB1_6 C_GB1_30 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 254 CD_GB1_6 O_GB1_30 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 255 - CD_GB1_6 N_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 256 - CD_GB1_6 NZ_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 263 - CD_GB1_6 C_GB1_31 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 264 + CD_GB1_6 N_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 256 + CD_GB1_6 NZ_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 263 + CD_GB1_6 C_GB1_31 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 264 CD_GB1_6 O_GB1_31 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 265 - CD_GB1_6 N_GB1_32 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 266 - CD_GB1_6 CD_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 271 + CD_GB1_6 N_GB1_32 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 266 + CD_GB1_6 CD_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 271 CD_GB1_6 OE1_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 272 - CD_GB1_6 NE2_GB1_32 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 273 - CD_GB1_6 C_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 274 + CD_GB1_6 NE2_GB1_32 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 273 + CD_GB1_6 C_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 274 CD_GB1_6 O_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 275 - CD_GB1_6 N_GB1_33 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 276 - CD_GB1_6 OH_GB1_33 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 286 - CD_GB1_6 C_GB1_33 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 287 + CD_GB1_6 N_GB1_33 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 276 + CD_GB1_6 OH_GB1_33 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 286 + CD_GB1_6 C_GB1_33 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 287 CD_GB1_6 O_GB1_33 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 288 - CD_GB1_6 N_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 289 - CD_GB1_6 C_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 293 + CD_GB1_6 N_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 289 + CD_GB1_6 C_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 293 CD_GB1_6 O_GB1_34 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 294 - CD_GB1_6 N_GB1_35 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 295 - CD_GB1_6 CG_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 299 + CD_GB1_6 N_GB1_35 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 295 + CD_GB1_6 CG_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 299 CD_GB1_6 OD1_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 300 - CD_GB1_6 ND2_GB1_35 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 301 - CD_GB1_6 C_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 302 + CD_GB1_6 ND2_GB1_35 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 301 + CD_GB1_6 C_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 302 CD_GB1_6 O_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 303 - CD_GB1_6 N_GB1_36 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 304 - CD_GB1_6 CG_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 308 + CD_GB1_6 N_GB1_36 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 304 + CD_GB1_6 CG_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 308 CD_GB1_6 OD1_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 309 CD_GB1_6 OD2_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 310 - CD_GB1_6 C_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 311 + CD_GB1_6 C_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 311 CD_GB1_6 O_GB1_36 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 312 - CD_GB1_6 N_GB1_37 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 313 - CD_GB1_6 CG_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 317 + CD_GB1_6 N_GB1_37 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 313 + CD_GB1_6 CG_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 317 CD_GB1_6 OD1_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 318 - CD_GB1_6 ND2_GB1_37 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 319 - CD_GB1_6 C_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 320 + CD_GB1_6 ND2_GB1_37 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 319 + CD_GB1_6 C_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 320 CD_GB1_6 O_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 321 - CD_GB1_6 N_GB1_38 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 322 - CD_GB1_6 C_GB1_38 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 325 + CD_GB1_6 N_GB1_38 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 322 + CD_GB1_6 C_GB1_38 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 325 CD_GB1_6 O_GB1_38 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 326 - CD_GB1_6 N_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 327 - CD_GB1_6 C_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 333 + CD_GB1_6 N_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 327 + CD_GB1_6 C_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 333 CD_GB1_6 O_GB1_39 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 334 - CD_GB1_6 N_GB1_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 335 - CD_GB1_6 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 339 + CD_GB1_6 N_GB1_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 335 + CD_GB1_6 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 339 CD_GB1_6 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 340 CD_GB1_6 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 341 - CD_GB1_6 C_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 342 + CD_GB1_6 C_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 342 CD_GB1_6 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 343 - CD_GB1_6 N_GB1_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 344 - CD_GB1_6 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 347 + CD_GB1_6 N_GB1_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 344 + CD_GB1_6 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 347 CD_GB1_6 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 348 - CD_GB1_6 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 349 - CD_GB1_6 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 354 + CD_GB1_6 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 349 + CD_GB1_6 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 354 CD_GB1_6 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 355 CD_GB1_6 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 356 - CD_GB1_6 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 357 + CD_GB1_6 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 357 CD_GB1_6 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 358 - CD_GB1_6 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 359 - CD_GB1_6 NE1_GB1_43 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 366 - CD_GB1_6 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 372 + CD_GB1_6 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 359 + CD_GB1_6 NE1_GB1_43 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 366 + CD_GB1_6 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 372 CD_GB1_6 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 373 - CD_GB1_6 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 374 - CD_GB1_6 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 378 - CD_GB1_6 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 380 + CD_GB1_6 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 374 + CD_GB1_6 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 378 + CD_GB1_6 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 380 CD_GB1_6 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 381 - CD_GB1_6 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 382 - CD_GB1_6 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 392 - CD_GB1_6 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 393 + CD_GB1_6 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 382 + CD_GB1_6 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 392 + CD_GB1_6 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 393 CD_GB1_6 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 394 - CD_GB1_6 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 395 - CD_GB1_6 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 399 + CD_GB1_6 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 395 + CD_GB1_6 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 399 CD_GB1_6 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 400 CD_GB1_6 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 401 - CD_GB1_6 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 402 + CD_GB1_6 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 402 CD_GB1_6 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 403 - CD_GB1_6 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 404 - CD_GB1_6 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 408 + CD_GB1_6 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 404 + CD_GB1_6 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 408 CD_GB1_6 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 409 CD_GB1_6 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 410 - CD_GB1_6 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 411 + CD_GB1_6 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 411 CD_GB1_6 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 412 - CD_GB1_6 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 413 - CD_GB1_6 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 417 + CD_GB1_6 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 413 + CD_GB1_6 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 417 CD_GB1_6 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 418 - CD_GB1_6 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 419 - CD_GB1_6 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 423 - CD_GB1_6 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 425 + CD_GB1_6 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 419 + CD_GB1_6 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 423 + CD_GB1_6 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 425 CD_GB1_6 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 426 - CD_GB1_6 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 427 - CD_GB1_6 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 434 - CD_GB1_6 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 435 + CD_GB1_6 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 427 + CD_GB1_6 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 434 + CD_GB1_6 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 435 CD_GB1_6 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 436 - CD_GB1_6 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 437 + CD_GB1_6 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 437 CD_GB1_6 CA_GB1_51 1 1.655573e-02 2.896208e-04 ; 5.095032e-01 2.365957e-01 1.110108e-01 2.273412e-04 0.004395 0.010759 True md_ensemble 7 55 439 CD_GB1_6 CB_GB1_51 1 1.010762e-02 7.502133e-05 ; 4.416613e-01 3.404498e-01 8.310112e-01 4.517869e-04 0.004395 0.010759 True md_ensemble 7 55 440 CD_GB1_6 OG1_GB1_51 1 2.786195e-03 1.040848e-05 ; 3.939091e-01 1.864556e-01 4.200370e-02 1.618250e-04 0.004395 0.001132 True md_ensemble 7 55 441 CD_GB1_6 CG2_GB1_51 1 1.621780e-03 1.886217e-06 ; 3.242898e-01 3.486038e-01 9.733008e-01 5.737210e-04 0.004395 0.020717 True md_ensemble 7 55 442 - CD_GB1_6 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 443 + CD_GB1_6 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 443 CD_GB1_6 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 444 - CD_GB1_6 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 445 + CD_GB1_6 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 445 CD_GB1_6 C_GB1_52 1 3.974384e-03 2.493371e-05 ; 4.294568e-01 1.583772e-01 2.437385e-02 1.732879e-04 0.004395 0.001132 True md_ensemble 7 55 455 CD_GB1_6 O_GB1_52 1 2.122918e-03 4.812330e-06 ; 3.624408e-01 2.341267e-01 1.058234e-01 9.998747e-05 0.004395 0.007862 True md_ensemble 7 55 456 - CD_GB1_6 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 457 + CD_GB1_6 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 457 CD_GB1_6 CA_GB1_53 1 1.417335e-02 1.555750e-04 ; 4.714235e-01 3.228086e-01 5.903414e-01 2.201396e-04 0.004395 0.010759 True md_ensemble 7 55 459 CD_GB1_6 CB_GB1_53 1 1.025821e-02 7.985704e-05 ; 4.451848e-01 3.294350e-01 6.712499e-01 5.000759e-04 0.004395 0.010759 True md_ensemble 7 55 460 CD_GB1_6 OG1_GB1_53 1 1.989826e-03 3.049467e-06 ; 3.395482e-01 3.245984e-01 6.111806e-01 1.000613e-04 0.004395 0.001132 True md_ensemble 7 55 461 CD_GB1_6 CG2_GB1_53 1 6.573428e-03 3.547073e-05 ; 4.188061e-01 3.045465e-01 4.143562e-01 4.360282e-04 0.004395 0.020717 True md_ensemble 7 55 462 - CD_GB1_6 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 463 + CD_GB1_6 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 463 CD_GB1_6 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 464 - CD_GB1_6 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 465 - CD_GB1_6 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 471 + CD_GB1_6 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 465 + CD_GB1_6 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 471 CD_GB1_6 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 472 - CD_GB1_6 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 473 - CD_GB1_6 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 477 - CD_GB1_6 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 479 + CD_GB1_6 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 473 + CD_GB1_6 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 477 + CD_GB1_6 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 479 CD_GB1_6 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 480 - CD_GB1_6 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 481 - CD_GB1_6 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 486 + CD_GB1_6 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 481 + CD_GB1_6 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 486 CD_GB1_6 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 487 CD_GB1_6 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 488 - CD_GB1_6 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 489 + CD_GB1_6 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 489 CD_GB1_6 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 490 CD_GB1_6 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 55 491 - C_GB1_6 CB_GB1_7 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 61 - C_GB1_6 CG_GB1_7 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 56 62 - C_GB1_6 CD1_GB1_7 1 0.000000e+00 4.195315e-06 ; 3.174866e-01 -4.195315e-06 4.512605e-01 3.389483e-01 0.004395 0.001132 True md_ensemble 5 56 63 - C_GB1_6 CD2_GB1_7 1 0.000000e+00 5.207069e-06 ; 3.232544e-01 -5.207069e-06 6.154203e-01 7.171854e-01 0.004395 0.001132 True md_ensemble 5 56 64 - C_GB1_6 O_GB1_7 1 0.000000e+00 7.704544e-07 ; 2.756707e-01 -7.704544e-07 9.926779e-01 9.243679e-01 0.004395 0.001132 True md_ensemble 4 56 66 - C_GB1_6 N_GB1_8 1 0.000000e+00 1.486736e-06 ; 2.911932e-01 -1.486736e-06 9.999994e-01 9.858014e-01 0.004395 0.001132 True md_ensemble 4 56 67 - C_GB1_6 CA_GB1_8 1 0.000000e+00 1.181820e-05 ; 3.461048e-01 -1.181820e-05 9.860830e-01 8.915627e-01 0.004395 0.001132 True md_ensemble 5 56 69 - C_GB1_6 CB_GB1_8 1 0.000000e+00 6.817594e-06 ; 3.305960e-01 -6.817594e-06 1.334720e-01 2.098275e-01 0.004395 0.001132 True md_ensemble 6 56 70 + C_GB1_6 CB_GB1_7 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 61 + C_GB1_6 CG_GB1_7 1 0.000000e+00 1.305180e-05 ; 3.489803e-01 -1.305180e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 56 62 + C_GB1_6 CD1_GB1_7 1 0.000000e+00 4.195260e-06 ; 3.174862e-01 -4.195260e-06 4.512605e-01 3.389483e-01 0.004395 0.001132 True md_ensemble 5 56 63 + C_GB1_6 CD2_GB1_7 1 0.000000e+00 5.207001e-06 ; 3.232540e-01 -5.207001e-06 6.154203e-01 7.171854e-01 0.004395 0.001132 True md_ensemble 5 56 64 + C_GB1_6 O_GB1_7 1 0.000000e+00 7.704508e-07 ; 2.756706e-01 -7.704508e-07 9.926779e-01 9.243679e-01 0.004395 0.001132 True md_ensemble 4 56 66 + C_GB1_6 N_GB1_8 1 0.000000e+00 1.486715e-06 ; 2.911928e-01 -1.486715e-06 9.999994e-01 9.858014e-01 0.004395 0.001132 True md_ensemble 4 56 67 + C_GB1_6 CA_GB1_8 1 0.000000e+00 1.181814e-05 ; 3.461046e-01 -1.181814e-05 9.860830e-01 8.915627e-01 0.004395 0.001132 True md_ensemble 5 56 69 + C_GB1_6 CB_GB1_8 1 0.000000e+00 6.817479e-06 ; 3.305955e-01 -6.817479e-06 1.334720e-01 2.098275e-01 0.004395 0.001132 True md_ensemble 6 56 70 C_GB1_6 CG_GB1_8 1 3.979998e-03 2.140029e-05 ; 4.185585e-01 1.850487e-01 2.907618e-01 8.240299e-02 0.004395 0.011584 True md_ensemble 7 56 71 C_GB1_6 OD1_GB1_8 1 1.232325e-03 3.566050e-06 ; 3.774943e-01 1.064641e-01 4.124556e-02 5.361840e-02 0.004395 0.011584 True md_ensemble 7 56 72 C_GB1_6 ND2_GB1_8 1 2.043572e-03 5.231217e-06 ; 3.698584e-01 1.995800e-01 4.403920e-01 9.417358e-02 0.004395 0.011584 True md_ensemble 7 56 73 C_GB1_6 C_GB1_8 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 0.000000e+00 1.266130e-01 0.004395 0.001132 True md_ensemble 6 56 74 - C_GB1_6 CA_GB1_9 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 78 - C_GB1_6 CB_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 84 - C_GB1_6 CG_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 85 - C_GB1_6 CD_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 86 - C_GB1_6 CE_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 87 - C_GB1_6 CB_GB1_11 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 94 - C_GB1_6 CG2_GB1_11 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 96 - C_GB1_6 CB_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 102 - C_GB1_6 CG_GB1_12 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 103 - C_GB1_6 CD1_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 104 - C_GB1_6 CD2_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 105 - C_GB1_6 CB_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 111 - C_GB1_6 CG_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 112 - C_GB1_6 CD_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 113 - C_GB1_6 CE_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 114 + C_GB1_6 CA_GB1_9 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 78 + C_GB1_6 CB_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 84 + C_GB1_6 CG_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 85 + C_GB1_6 CD_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 86 + C_GB1_6 CE_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 87 + C_GB1_6 CB_GB1_11 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 94 + C_GB1_6 CG2_GB1_11 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 96 + C_GB1_6 CB_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 102 + C_GB1_6 CG_GB1_12 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 103 + C_GB1_6 CD1_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 104 + C_GB1_6 CD2_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 105 + C_GB1_6 CB_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 111 + C_GB1_6 CG_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 112 + C_GB1_6 CD_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 113 + C_GB1_6 CE_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 114 C_GB1_6 CA_GB1_14 1 4.445138e-03 4.434514e-05 ; 4.639738e-01 1.113947e-01 9.804517e-03 4.423712e-04 0.004395 0.009458 True md_ensemble 7 56 120 C_GB1_6 C_GB1_14 1 7.693777e-03 4.546509e-05 ; 4.251966e-01 3.254926e-01 6.218669e-01 9.671738e-05 0.004395 0.011584 True md_ensemble 7 56 121 C_GB1_6 O_GB1_14 1 1.825772e-03 2.383768e-06 ; 3.306000e-01 3.495981e-01 9.922407e-01 3.133154e-04 0.004395 0.011584 True md_ensemble 7 56 122 C_GB1_6 CA_GB1_15 1 1.317743e-02 1.250566e-04 ; 4.601287e-01 3.471321e-01 9.459280e-01 1.014588e-04 0.004395 0.008482 True md_ensemble 7 56 125 C_GB1_6 CB_GB1_15 1 8.806768e-03 8.027159e-05 ; 4.570435e-01 2.415524e-01 1.222054e-01 0.000000e+00 0.004395 0.001132 True md_ensemble 7 56 126 C_GB1_6 CG_GB1_15 1 4.575905e-03 4.360875e-05 ; 4.604503e-01 1.200385e-01 1.159283e-02 3.111574e-04 0.004395 0.001132 True md_ensemble 7 56 127 - C_GB1_6 CB_GB1_16 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 136 - C_GB1_6 CG2_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 138 - C_GB1_6 CB_GB1_17 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 144 - C_GB1_6 CG2_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 146 - C_GB1_6 CB_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 152 - C_GB1_6 CG2_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 154 - C_GB1_6 CB_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 160 - C_GB1_6 CG_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 161 - C_GB1_6 CB_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 170 - C_GB1_6 CB_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 176 - C_GB1_6 CG1_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 177 - C_GB1_6 CG2_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 178 - C_GB1_6 CB_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 184 - C_GB1_6 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 193 - C_GB1_6 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 199 - C_GB1_6 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 205 - C_GB1_6 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 207 - C_GB1_6 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 213 - C_GB1_6 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 219 - C_GB1_6 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 220 - C_GB1_6 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 229 - C_GB1_6 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 230 - C_GB1_6 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 231 - C_GB1_6 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 232 - C_GB1_6 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 239 - C_GB1_6 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 240 - C_GB1_6 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 241 - C_GB1_6 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 247 - C_GB1_6 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 259 - C_GB1_6 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 260 - C_GB1_6 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 261 - C_GB1_6 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 262 - C_GB1_6 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 269 - C_GB1_6 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 270 - C_GB1_6 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 279 - C_GB1_6 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 292 - C_GB1_6 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 298 - C_GB1_6 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 307 - C_GB1_6 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 316 - C_GB1_6 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 324 - C_GB1_6 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 330 - C_GB1_6 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 331 - C_GB1_6 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 332 - C_GB1_6 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 338 - C_GB1_6 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 346 - C_GB1_6 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 352 - C_GB1_6 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 353 - C_GB1_6 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 362 - C_GB1_6 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 377 - C_GB1_6 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 379 - C_GB1_6 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 385 - C_GB1_6 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 398 - C_GB1_6 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 407 - C_GB1_6 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 416 - C_GB1_6 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 422 - C_GB1_6 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 424 - C_GB1_6 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 430 - C_GB1_6 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 431 - C_GB1_6 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 432 - C_GB1_6 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 433 - C_GB1_6 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 440 - C_GB1_6 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 442 - C_GB1_6 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 448 + C_GB1_6 CB_GB1_16 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 136 + C_GB1_6 CG2_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 138 + C_GB1_6 CB_GB1_17 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 144 + C_GB1_6 CG2_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 146 + C_GB1_6 CB_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 152 + C_GB1_6 CG2_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 154 + C_GB1_6 CB_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 160 + C_GB1_6 CG_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 161 + C_GB1_6 CB_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 170 + C_GB1_6 CB_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 176 + C_GB1_6 CG1_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 177 + C_GB1_6 CG2_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 178 + C_GB1_6 CB_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 184 + C_GB1_6 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 193 + C_GB1_6 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 199 + C_GB1_6 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 205 + C_GB1_6 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 207 + C_GB1_6 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 213 + C_GB1_6 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 219 + C_GB1_6 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 220 + C_GB1_6 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 229 + C_GB1_6 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 230 + C_GB1_6 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 231 + C_GB1_6 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 232 + C_GB1_6 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 239 + C_GB1_6 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 240 + C_GB1_6 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 241 + C_GB1_6 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 247 + C_GB1_6 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 259 + C_GB1_6 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 260 + C_GB1_6 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 261 + C_GB1_6 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 262 + C_GB1_6 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 269 + C_GB1_6 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 270 + C_GB1_6 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 279 + C_GB1_6 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 292 + C_GB1_6 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 298 + C_GB1_6 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 307 + C_GB1_6 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 316 + C_GB1_6 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 324 + C_GB1_6 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 330 + C_GB1_6 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 331 + C_GB1_6 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 332 + C_GB1_6 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 338 + C_GB1_6 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 346 + C_GB1_6 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 352 + C_GB1_6 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 353 + C_GB1_6 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 362 + C_GB1_6 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 377 + C_GB1_6 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 379 + C_GB1_6 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 385 + C_GB1_6 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 398 + C_GB1_6 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 407 + C_GB1_6 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 416 + C_GB1_6 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 422 + C_GB1_6 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 424 + C_GB1_6 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 430 + C_GB1_6 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 431 + C_GB1_6 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 432 + C_GB1_6 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 433 + C_GB1_6 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 440 + C_GB1_6 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 442 + C_GB1_6 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 448 C_GB1_6 C_GB1_52 1 6.658268e-03 4.481121e-05 ; 4.345145e-01 2.473294e-01 1.366853e-01 0.000000e+00 0.004395 0.011584 True md_ensemble 7 56 455 C_GB1_6 O_GB1_52 1 3.024613e-03 6.584185e-06 ; 3.600024e-01 3.473583e-01 9.500845e-01 0.000000e+00 0.004395 0.011584 True md_ensemble 7 56 456 C_GB1_6 CA_GB1_53 1 5.488421e-03 2.151626e-05 ; 3.970878e-01 3.500000e-01 1.000000e+00 0.000000e+00 0.004395 0.008482 True md_ensemble 7 56 459 @@ -9870,22 +9870,22 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 C_GB1_6 CG2_GB1_54 1 8.146367e-03 5.653776e-05 ; 4.367462e-01 2.934468e-01 3.341462e-01 1.000545e-04 0.004395 0.001132 True md_ensemble 7 56 470 C_GB1_6 C_GB1_54 1 6.313804e-03 4.194956e-05 ; 4.335835e-01 2.375717e-01 1.131310e-01 0.000000e+00 0.004395 0.011584 True md_ensemble 7 56 471 C_GB1_6 O_GB1_54 1 3.750597e-03 1.135529e-05 ; 3.803496e-01 3.097010e-01 4.578927e-01 0.000000e+00 0.004395 0.011584 True md_ensemble 7 56 472 - C_GB1_6 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 476 - C_GB1_6 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 478 - C_GB1_6 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 484 - C_GB1_6 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 485 + C_GB1_6 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 476 + C_GB1_6 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 478 + C_GB1_6 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 484 + C_GB1_6 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 56 485 O_GB1_6 O_GB1_6 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 57 57 O_GB1_6 H_GB1_7 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 57 59 - O_GB1_6 CB_GB1_7 1 0.000000e+00 2.015626e-06 ; 2.986729e-01 -2.015626e-06 9.999913e-01 9.999764e-01 0.004395 0.001132 True md_ensemble 4 57 61 - O_GB1_6 CG_GB1_7 1 0.000000e+00 3.965999e-06 ; 3.160029e-01 -3.965999e-06 9.269096e-01 8.817679e-01 0.004395 0.001132 True md_ensemble 5 57 62 + O_GB1_6 CB_GB1_7 1 0.000000e+00 2.015619e-06 ; 2.986728e-01 -2.015619e-06 9.999913e-01 9.999764e-01 0.004395 0.001132 True md_ensemble 4 57 61 + O_GB1_6 CG_GB1_7 1 0.000000e+00 3.966030e-06 ; 3.160031e-01 -3.966030e-06 9.269096e-01 8.817679e-01 0.004395 0.001132 True md_ensemble 5 57 62 O_GB1_6 CD1_GB1_7 1 0.000000e+00 1.550444e-06 ; 2.922131e-01 -1.550444e-06 9.176972e-02 1.226557e-01 0.004395 0.001132 True md_ensemble 6 57 63 O_GB1_6 CD2_GB1_7 1 0.000000e+00 1.355567e-06 ; 2.889605e-01 -1.355567e-06 4.675264e-01 3.688391e-01 0.004395 0.001132 True md_ensemble 6 57 64 - O_GB1_6 C_GB1_7 1 0.000000e+00 8.248941e-07 ; 2.772436e-01 -8.248941e-07 9.999968e-01 9.975193e-01 0.004395 0.001132 True md_ensemble 4 57 65 + O_GB1_6 C_GB1_7 1 0.000000e+00 8.248903e-07 ; 2.772435e-01 -8.248903e-07 9.999968e-01 9.975193e-01 0.004395 0.001132 True md_ensemble 4 57 65 O_GB1_6 O_GB1_7 1 0.000000e+00 1.646523e-06 ; 2.936809e-01 -1.646523e-06 8.042302e-01 9.019121e-01 0.004395 0.001132 True md_ensemble 5 57 66 O_GB1_6 N_GB1_8 1 0.000000e+00 1.402480e-06 ; 2.897809e-01 -1.402480e-06 9.998545e-01 9.348410e-01 0.004395 0.001132 True md_ensemble 5 57 67 - O_GB1_6 H_GB1_8 1 0.000000e+00 1.421244e-08 ; 1.976442e-01 -1.421244e-08 2.292742e-01 1.452486e-01 0.004395 0.001132 True md_ensemble 6 57 68 - O_GB1_6 CA_GB1_8 1 0.000000e+00 4.458560e-06 ; 3.191008e-01 -4.458560e-06 5.246445e-01 5.980923e-01 0.004395 0.001132 True md_ensemble 6 57 69 - O_GB1_6 CB_GB1_8 1 0.000000e+00 2.148718e-06 ; 3.002686e-01 -2.148718e-06 7.519491e-02 1.412090e-01 0.004395 0.007862 True md_ensemble 7 57 70 + O_GB1_6 H_GB1_8 1 0.000000e+00 1.421267e-08 ; 1.976445e-01 -1.421267e-08 2.292742e-01 1.452486e-01 0.004395 0.001132 True md_ensemble 6 57 68 + O_GB1_6 CA_GB1_8 1 0.000000e+00 4.458595e-06 ; 3.191010e-01 -4.458595e-06 5.246445e-01 5.980923e-01 0.004395 0.001132 True md_ensemble 6 57 69 + O_GB1_6 CB_GB1_8 1 0.000000e+00 2.148710e-06 ; 3.002685e-01 -2.148710e-06 7.519491e-02 1.412090e-01 0.004395 0.007862 True md_ensemble 7 57 70 O_GB1_6 CG_GB1_8 1 1.258149e-03 3.355569e-06 ; 3.723966e-01 1.179338e-01 1.085631e-01 1.129970e-01 0.004395 0.011584 True md_ensemble 7 57 71 O_GB1_6 OD1_GB1_8 1 0.000000e+00 1.622968e-06 ; 2.933284e-01 -1.622968e-06 8.939629e-02 1.713752e-01 0.004395 0.001132 True md_ensemble 7 57 72 O_GB1_6 ND2_GB1_8 1 4.854329e-04 3.378627e-07 ; 2.976929e-01 1.743646e-01 3.364699e-01 1.173023e-01 0.004395 0.011584 True md_ensemble 7 57 73 @@ -10108,39 +10108,39 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 O_GB1_6 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 57 488 O_GB1_6 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 57 490 O_GB1_6 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 57 491 - N_GB1_7 CB_GB1_7 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 61 - N_GB1_7 CG_GB1_7 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 62 - N_GB1_7 CD1_GB1_7 1 0.000000e+00 2.744398e-06 ; 3.064542e-01 -2.744398e-06 9.974653e-01 9.980019e-01 0.004395 0.001132 True md_ensemble 4 58 63 - N_GB1_7 CD2_GB1_7 1 0.000000e+00 2.789788e-06 ; 3.068734e-01 -2.789788e-06 9.102701e-01 9.273549e-01 0.004395 0.001132 True md_ensemble 4 58 64 - N_GB1_7 CA_GB1_8 1 0.000000e+00 7.574602e-06 ; 3.335096e-01 -7.574602e-06 9.999996e-01 9.999477e-01 0.004395 0.001132 True md_ensemble 4 58 69 - N_GB1_7 CB_GB1_8 1 0.000000e+00 4.425549e-06 ; 3.189032e-01 -4.425549e-06 6.359414e-02 2.674709e-01 0.004395 0.001132 True md_ensemble 5 58 70 + N_GB1_7 CB_GB1_7 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 61 + N_GB1_7 CG_GB1_7 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 62 + N_GB1_7 CD1_GB1_7 1 0.000000e+00 2.744372e-06 ; 3.064540e-01 -2.744372e-06 9.974653e-01 9.980019e-01 0.004395 0.001132 True md_ensemble 4 58 63 + N_GB1_7 CD2_GB1_7 1 0.000000e+00 2.789762e-06 ; 3.068732e-01 -2.789762e-06 9.102701e-01 9.273549e-01 0.004395 0.001132 True md_ensemble 4 58 64 + N_GB1_7 CA_GB1_8 1 0.000000e+00 7.574590e-06 ; 3.335095e-01 -7.574590e-06 9.999996e-01 9.999477e-01 0.004395 0.001132 True md_ensemble 4 58 69 + N_GB1_7 CB_GB1_8 1 0.000000e+00 4.425491e-06 ; 3.189029e-01 -4.425491e-06 6.359414e-02 2.674709e-01 0.004395 0.001132 True md_ensemble 5 58 70 N_GB1_7 CG_GB1_8 1 1.382834e-03 6.074649e-06 ; 4.046925e-01 7.869715e-02 1.307474e-01 2.844215e-02 0.004395 0.001132 True md_ensemble 6 58 71 N_GB1_7 OD1_GB1_8 1 2.419571e-03 8.099593e-06 ; 3.867712e-01 1.806981e-01 2.221299e-01 6.849318e-02 0.004395 0.011584 True md_ensemble 7 58 72 N_GB1_7 ND2_GB1_8 1 2.338502e-03 7.476234e-06 ; 3.838170e-01 1.828659e-01 1.585126e-01 4.686592e-02 0.004395 0.011584 True md_ensemble 7 58 73 N_GB1_7 C_GB1_8 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 0.000000e+00 6.847467e-02 0.004395 0.001132 True md_ensemble 5 58 74 N_GB1_7 O_GB1_8 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 0.000000e+00 9.393496e-02 0.004395 0.001132 True md_ensemble 6 58 75 N_GB1_7 N_GB1_9 1 0.000000e+00 8.752940e-07 ; 2.786171e-01 -8.752940e-07 0.000000e+00 7.739486e-02 0.004395 0.001132 True md_ensemble 6 58 76 - N_GB1_7 CA_GB1_9 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 78 + N_GB1_7 CA_GB1_9 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 78 N_GB1_7 N_GB1_10 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 7.555884e-04 0.004395 0.001132 True md_ensemble 7 58 81 - N_GB1_7 CB_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 84 - N_GB1_7 CG_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 85 - N_GB1_7 CD_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 86 - N_GB1_7 CE_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 87 + N_GB1_7 CB_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 84 + N_GB1_7 CG_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 85 + N_GB1_7 CD_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 86 + N_GB1_7 CE_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 87 N_GB1_7 NZ_GB1_10 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 3.644070e-03 0.004395 0.001132 True md_ensemble 7 58 88 N_GB1_7 N_GB1_11 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 58 91 - N_GB1_7 CB_GB1_11 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 94 - N_GB1_7 CG2_GB1_11 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 96 + N_GB1_7 CB_GB1_11 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 94 + N_GB1_7 CG2_GB1_11 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 96 N_GB1_7 N_GB1_12 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 58 99 - N_GB1_7 CB_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 102 - N_GB1_7 CG_GB1_12 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 103 - N_GB1_7 CD1_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 104 - N_GB1_7 CD2_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 105 + N_GB1_7 CB_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 102 + N_GB1_7 CG_GB1_12 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 103 + N_GB1_7 CD1_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 104 + N_GB1_7 CD2_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 105 N_GB1_7 N_GB1_13 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 58 108 N_GB1_7 CA_GB1_13 1 8.599320e-03 9.089728e-05 ; 4.684693e-01 2.033843e-01 5.831663e-02 0.000000e+00 0.004395 0.008482 True md_ensemble 7 58 110 - N_GB1_7 CB_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 111 - N_GB1_7 CG_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 112 - N_GB1_7 CD_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 113 - N_GB1_7 CE_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 114 + N_GB1_7 CB_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 111 + N_GB1_7 CG_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 112 + N_GB1_7 CD_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 113 + N_GB1_7 CE_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 114 N_GB1_7 NZ_GB1_13 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 6.297500e-06 2.753682e-04 0.004395 0.001132 True md_ensemble 7 58 115 N_GB1_7 C_GB1_13 1 1.805098e-03 8.403963e-06 ; 4.086303e-01 9.692982e-02 7.407327e-03 0.000000e+00 0.004395 0.011584 True md_ensemble 7 58 116 N_GB1_7 N_GB1_14 1 3.875269e-03 1.251127e-05 ; 3.844442e-01 3.000835e-01 3.800178e-01 9.534555e-06 0.004395 0.001132 True md_ensemble 7 58 118 @@ -10152,112 +10152,112 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 N_GB1_7 CB_GB1_15 1 6.333227e-03 4.227769e-05 ; 4.339247e-01 2.371804e-01 1.122762e-01 0.000000e+00 0.004395 0.001132 True md_ensemble 7 58 126 N_GB1_7 CG_GB1_15 1 2.333300e-03 1.615902e-05 ; 4.365903e-01 8.422992e-02 5.791007e-03 0.000000e+00 0.004395 0.001132 True md_ensemble 7 58 127 N_GB1_7 N_GB1_16 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 58 133 - N_GB1_7 CB_GB1_16 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 136 - N_GB1_7 CG2_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 138 + N_GB1_7 CB_GB1_16 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 136 + N_GB1_7 CG2_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 138 N_GB1_7 N_GB1_17 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 58 141 - N_GB1_7 CB_GB1_17 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 144 - N_GB1_7 CG2_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 146 + N_GB1_7 CB_GB1_17 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 144 + N_GB1_7 CG2_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 146 N_GB1_7 N_GB1_18 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 58 149 - N_GB1_7 CB_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 152 - N_GB1_7 CG2_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 154 + N_GB1_7 CB_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 152 + N_GB1_7 CG2_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 154 N_GB1_7 N_GB1_19 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 58 157 - N_GB1_7 CB_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 160 - N_GB1_7 CG_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 161 + N_GB1_7 CB_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 160 + N_GB1_7 CG_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 161 N_GB1_7 N_GB1_20 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 58 167 - N_GB1_7 CB_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 170 + N_GB1_7 CB_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 170 N_GB1_7 N_GB1_21 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 58 173 - N_GB1_7 CB_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 176 - N_GB1_7 CG1_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 177 - N_GB1_7 CG2_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 178 + N_GB1_7 CB_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 176 + N_GB1_7 CG1_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 177 + N_GB1_7 CG2_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 178 N_GB1_7 N_GB1_22 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 58 181 - N_GB1_7 CB_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 184 + N_GB1_7 CB_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 184 N_GB1_7 N_GB1_23 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 58 190 - N_GB1_7 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 193 + N_GB1_7 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 193 N_GB1_7 N_GB1_24 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 58 196 - N_GB1_7 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 199 + N_GB1_7 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 199 N_GB1_7 N_GB1_25 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 58 202 - N_GB1_7 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 205 - N_GB1_7 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 207 + N_GB1_7 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 205 + N_GB1_7 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 207 N_GB1_7 N_GB1_26 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 58 210 - N_GB1_7 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 213 + N_GB1_7 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 213 N_GB1_7 N_GB1_27 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 58 216 - N_GB1_7 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 219 - N_GB1_7 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 220 + N_GB1_7 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 219 + N_GB1_7 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 220 N_GB1_7 N_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 58 226 - N_GB1_7 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 229 - N_GB1_7 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 230 - N_GB1_7 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 231 - N_GB1_7 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 232 + N_GB1_7 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 229 + N_GB1_7 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 230 + N_GB1_7 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 231 + N_GB1_7 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 232 N_GB1_7 NZ_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 58 233 N_GB1_7 N_GB1_29 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 58 236 - N_GB1_7 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 239 - N_GB1_7 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 240 - N_GB1_7 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 241 + N_GB1_7 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 239 + N_GB1_7 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 240 + N_GB1_7 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 241 N_GB1_7 N_GB1_30 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 58 244 - N_GB1_7 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 247 + N_GB1_7 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 247 N_GB1_7 N_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 58 256 - N_GB1_7 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 259 - N_GB1_7 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 260 - N_GB1_7 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 261 - N_GB1_7 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 262 + N_GB1_7 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 259 + N_GB1_7 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 260 + N_GB1_7 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 261 + N_GB1_7 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 262 N_GB1_7 NZ_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 58 263 N_GB1_7 N_GB1_32 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 58 266 - N_GB1_7 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 269 - N_GB1_7 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 270 + N_GB1_7 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 269 + N_GB1_7 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 270 N_GB1_7 N_GB1_33 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 58 276 - N_GB1_7 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 279 + N_GB1_7 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 279 N_GB1_7 N_GB1_34 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 58 289 - N_GB1_7 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 292 + N_GB1_7 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 292 N_GB1_7 N_GB1_35 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 58 295 - N_GB1_7 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 298 + N_GB1_7 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 298 N_GB1_7 N_GB1_36 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 58 304 - N_GB1_7 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 307 + N_GB1_7 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 307 N_GB1_7 N_GB1_37 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 58 313 - N_GB1_7 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 316 + N_GB1_7 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 316 N_GB1_7 N_GB1_38 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 58 322 - N_GB1_7 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 324 + N_GB1_7 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 324 N_GB1_7 N_GB1_39 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 58 327 - N_GB1_7 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 330 - N_GB1_7 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 331 - N_GB1_7 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 332 + N_GB1_7 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 330 + N_GB1_7 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 331 + N_GB1_7 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 332 N_GB1_7 N_GB1_40 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 58 335 - N_GB1_7 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 338 + N_GB1_7 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 338 N_GB1_7 N_GB1_41 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 58 344 - N_GB1_7 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 346 + N_GB1_7 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 346 N_GB1_7 N_GB1_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 58 349 - N_GB1_7 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 352 - N_GB1_7 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 353 + N_GB1_7 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 352 + N_GB1_7 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 353 N_GB1_7 N_GB1_43 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 58 359 - N_GB1_7 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 362 + N_GB1_7 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 362 N_GB1_7 N_GB1_44 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 58 374 - N_GB1_7 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 377 - N_GB1_7 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 379 + N_GB1_7 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 377 + N_GB1_7 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 379 N_GB1_7 N_GB1_45 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 58 382 - N_GB1_7 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 385 + N_GB1_7 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 385 N_GB1_7 N_GB1_46 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 58 395 - N_GB1_7 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 398 + N_GB1_7 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 398 N_GB1_7 N_GB1_47 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 58 404 - N_GB1_7 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 407 + N_GB1_7 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 407 N_GB1_7 N_GB1_48 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 58 413 - N_GB1_7 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 416 + N_GB1_7 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 416 N_GB1_7 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 58 419 - N_GB1_7 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 422 - N_GB1_7 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 424 + N_GB1_7 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 422 + N_GB1_7 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 424 N_GB1_7 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 58 427 - N_GB1_7 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 430 - N_GB1_7 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 431 - N_GB1_7 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 432 - N_GB1_7 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 433 + N_GB1_7 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 430 + N_GB1_7 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 431 + N_GB1_7 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 432 + N_GB1_7 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 433 N_GB1_7 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 58 434 N_GB1_7 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 58 437 - N_GB1_7 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 440 - N_GB1_7 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 442 + N_GB1_7 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 440 + N_GB1_7 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 442 N_GB1_7 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 58 445 - N_GB1_7 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 448 + N_GB1_7 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 448 N_GB1_7 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 58 457 N_GB1_7 CA_GB1_53 1 8.852945e-03 1.039835e-04 ; 4.767742e-01 1.884304e-01 4.364267e-02 0.000000e+00 0.004395 0.008482 True md_ensemble 7 58 459 - N_GB1_7 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 460 - N_GB1_7 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 462 + N_GB1_7 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 460 + N_GB1_7 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 462 N_GB1_7 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.058932e-03 0.000000e+00 0.004395 0.001132 True md_ensemble 7 58 465 N_GB1_7 CA_GB1_54 1 1.254359e-02 1.403517e-04 ; 4.729327e-01 2.802630e-01 2.587948e-01 0.000000e+00 0.004395 0.008482 True md_ensemble 7 58 467 N_GB1_7 CB_GB1_54 1 1.126076e-02 1.001580e-04 ; 4.551833e-01 3.165115e-01 5.225105e-01 1.999544e-04 0.004395 0.001132 True md_ensemble 7 58 468 @@ -10265,13 +10265,13 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 N_GB1_7 CG2_GB1_54 1 2.392379e-03 1.574725e-05 ; 4.329082e-01 9.086472e-02 6.585757e-03 9.998295e-05 0.004395 0.001132 True md_ensemble 7 58 470 N_GB1_7 O_GB1_54 1 5.118419e-03 1.991361e-05 ; 3.965845e-01 3.288984e-01 6.643044e-01 0.000000e+00 0.004395 0.011584 True md_ensemble 7 58 472 N_GB1_7 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 58 473 - N_GB1_7 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 476 - N_GB1_7 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 478 + N_GB1_7 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 476 + N_GB1_7 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 478 N_GB1_7 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 58 481 - N_GB1_7 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 484 - N_GB1_7 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 485 + N_GB1_7 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 484 + N_GB1_7 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 58 485 H_GB1_7 H_GB1_7 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 59 59 - H_GB1_7 O_GB1_7 1 0.000000e+00 7.062636e-09 ; 1.864557e-01 -7.062636e-09 9.185003e-01 3.736785e-01 0.004395 0.001132 True md_ensemble 4 59 66 + H_GB1_7 O_GB1_7 1 0.000000e+00 7.062748e-09 ; 1.864559e-01 -7.062748e-09 9.185003e-01 3.736785e-01 0.004395 0.001132 True md_ensemble 4 59 66 H_GB1_7 H_GB1_8 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 59 68 H_GB1_7 OD1_GB1_8 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 59 72 H_GB1_7 O_GB1_8 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 59 75 @@ -10407,14 +10407,14 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 H_GB1_7 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 59 488 H_GB1_7 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 59 490 H_GB1_7 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 59 491 - CA_GB1_7 CB_GB1_8 1 0.000000e+00 3.181370e-05 ; 3.758774e-01 -3.181370e-05 9.999986e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 60 70 - CA_GB1_7 CG_GB1_8 1 0.000000e+00 1.033857e-05 ; 3.422683e-01 -1.033857e-05 9.209672e-01 7.130815e-01 0.004395 0.001132 True md_ensemble 5 60 71 - CA_GB1_7 OD1_GB1_8 1 0.000000e+00 2.949745e-06 ; 3.083025e-01 -2.949745e-06 6.100849e-01 3.202688e-01 0.004395 0.001132 True md_ensemble 6 60 72 - CA_GB1_7 ND2_GB1_8 1 0.000000e+00 9.141098e-06 ; 3.387751e-01 -9.141098e-06 7.256875e-01 4.263805e-01 0.004395 0.001132 True md_ensemble 6 60 73 - CA_GB1_7 C_GB1_8 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 9.999994e-01 9.999992e-01 0.004395 0.001132 True md_ensemble 4 60 74 - CA_GB1_7 O_GB1_8 1 0.000000e+00 5.632048e-06 ; 3.253748e-01 -5.632048e-06 4.303792e-02 3.990161e-01 0.004395 0.001132 True md_ensemble 5 60 75 - CA_GB1_7 N_GB1_9 1 0.000000e+00 5.186021e-06 ; 3.231453e-01 -5.186021e-06 9.843029e-01 6.689266e-01 0.004395 0.001132 True md_ensemble 5 60 76 - CA_GB1_7 CA_GB1_9 1 0.000000e+00 2.281684e-05 ; 3.656085e-01 -2.281684e-05 7.990778e-01 5.162805e-01 0.004395 0.001132 True md_ensemble 6 60 78 + CA_GB1_7 CB_GB1_8 1 0.000000e+00 3.181356e-05 ; 3.758772e-01 -3.181356e-05 9.999986e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 60 70 + CA_GB1_7 CG_GB1_8 1 0.000000e+00 1.033852e-05 ; 3.422682e-01 -1.033852e-05 9.209672e-01 7.130815e-01 0.004395 0.001132 True md_ensemble 5 60 71 + CA_GB1_7 OD1_GB1_8 1 0.000000e+00 2.949768e-06 ; 3.083027e-01 -2.949768e-06 6.100849e-01 3.202688e-01 0.004395 0.001132 True md_ensemble 6 60 72 + CA_GB1_7 ND2_GB1_8 1 0.000000e+00 9.141153e-06 ; 3.387753e-01 -9.141153e-06 7.256875e-01 4.263805e-01 0.004395 0.001132 True md_ensemble 6 60 73 + CA_GB1_7 C_GB1_8 1 0.000000e+00 1.305179e-05 ; 3.489803e-01 -1.305179e-05 9.999994e-01 9.999992e-01 0.004395 0.001132 True md_ensemble 4 60 74 + CA_GB1_7 O_GB1_8 1 0.000000e+00 5.632093e-06 ; 3.253750e-01 -5.632093e-06 4.303792e-02 3.990161e-01 0.004395 0.001132 True md_ensemble 5 60 75 + CA_GB1_7 N_GB1_9 1 0.000000e+00 5.186013e-06 ; 3.231453e-01 -5.186013e-06 9.843029e-01 6.689266e-01 0.004395 0.001132 True md_ensemble 5 60 76 + CA_GB1_7 CA_GB1_9 1 0.000000e+00 2.281674e-05 ; 3.656084e-01 -2.281674e-05 7.990778e-01 5.162805e-01 0.004395 0.001132 True md_ensemble 6 60 78 CA_GB1_7 CA_GB1_12 1 2.664771e-02 7.791197e-04 ; 5.550397e-01 2.278535e-01 9.370730e-02 5.098993e-03 0.004395 0.006476 True md_ensemble 7 60 101 CA_GB1_7 CB_GB1_12 1 1.414113e-02 2.444006e-04 ; 5.084751e-01 2.045531e-01 5.965286e-02 6.747172e-03 0.004395 0.007117 True md_ensemble 7 60 102 CA_GB1_7 CG_GB1_12 1 1.982894e-02 4.354561e-04 ; 5.291849e-01 2.257329e-01 2.667720e-01 1.921051e-02 0.004395 0.006476 True md_ensemble 7 60 103 @@ -10454,29 +10454,29 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CA_GB1_7 C_GB1_54 1 8.112811e-03 4.702179e-05 ; 4.238264e-01 3.499320e-01 9.986822e-01 0.000000e+00 0.004395 0.008482 True md_ensemble 7 60 471 CA_GB1_7 O_GB1_54 1 1.744723e-03 2.174407e-06 ; 3.280467e-01 3.499873e-01 9.997540e-01 0.000000e+00 0.004395 0.008483 True md_ensemble 7 60 472 CA_GB1_7 CA_GB1_55 1 3.838940e-02 1.150158e-03 ; 5.573026e-01 3.203354e-01 5.627096e-01 0.000000e+00 0.004395 0.006476 True md_ensemble 7 60 475 - CB_GB1_7 C_GB1_7 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 65 + CB_GB1_7 C_GB1_7 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 65 CB_GB1_7 O_GB1_7 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 66 - CB_GB1_7 N_GB1_8 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 67 - CB_GB1_7 CA_GB1_8 1 0.000000e+00 3.181365e-05 ; 3.758773e-01 -3.181365e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 61 69 - CB_GB1_7 CB_GB1_8 1 0.000000e+00 2.440851e-05 ; 3.676688e-01 -2.440851e-05 8.463585e-02 6.656107e-01 0.004395 0.001132 True md_ensemble 5 61 70 - CB_GB1_7 CG_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 71 + CB_GB1_7 N_GB1_8 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 67 + CB_GB1_7 CA_GB1_8 1 0.000000e+00 3.181352e-05 ; 3.758772e-01 -3.181352e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 61 69 + CB_GB1_7 CB_GB1_8 1 0.000000e+00 2.440813e-05 ; 3.676683e-01 -2.440813e-05 8.463585e-02 6.656107e-01 0.004395 0.001132 True md_ensemble 5 61 70 + CB_GB1_7 CG_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 71 CB_GB1_7 OD1_GB1_8 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.992060e-02 0.004395 0.007862 True md_ensemble 7 61 72 - CB_GB1_7 ND2_GB1_8 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 73 - CB_GB1_7 C_GB1_8 1 0.000000e+00 4.889608e-06 ; 3.215643e-01 -4.889608e-06 7.088717e-01 4.808386e-01 0.004395 0.001132 True md_ensemble 5 61 74 + CB_GB1_7 ND2_GB1_8 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 73 + CB_GB1_7 C_GB1_8 1 0.000000e+00 4.889526e-06 ; 3.215639e-01 -4.889526e-06 7.088717e-01 4.808386e-01 0.004395 0.001132 True md_ensemble 5 61 74 CB_GB1_7 O_GB1_8 1 0.000000e+00 2.015656e-06 ; 2.986733e-01 -2.015656e-06 1.600000e-07 1.178795e-01 0.004395 0.001132 True md_ensemble 6 61 75 - CB_GB1_7 N_GB1_9 1 0.000000e+00 1.992991e-06 ; 2.983920e-01 -1.992991e-06 7.550032e-01 2.971540e-01 0.004395 0.001132 True md_ensemble 6 61 76 + CB_GB1_7 N_GB1_9 1 0.000000e+00 1.992964e-06 ; 2.983916e-01 -1.992964e-06 7.550032e-01 2.971540e-01 0.004395 0.001132 True md_ensemble 6 61 76 CB_GB1_7 CA_GB1_9 1 6.430649e-03 7.850204e-05 ; 4.798487e-01 1.316948e-01 4.386506e-01 2.372660e-01 0.004395 0.007860 True md_ensemble 7 61 78 - CB_GB1_7 C_GB1_9 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 79 + CB_GB1_7 C_GB1_9 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 79 CB_GB1_7 O_GB1_9 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.431164e-02 0.004395 0.007862 True md_ensemble 7 61 80 - CB_GB1_7 N_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 81 - CB_GB1_7 NZ_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 88 - CB_GB1_7 C_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 89 + CB_GB1_7 N_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 81 + CB_GB1_7 NZ_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 88 + CB_GB1_7 C_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 89 CB_GB1_7 O_GB1_10 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.725551e-02 0.004395 0.007862 True md_ensemble 7 61 90 - CB_GB1_7 N_GB1_11 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 91 - CB_GB1_7 OG1_GB1_11 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 95 - CB_GB1_7 C_GB1_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 97 + CB_GB1_7 N_GB1_11 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 91 + CB_GB1_7 OG1_GB1_11 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 95 + CB_GB1_7 C_GB1_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 97 CB_GB1_7 O_GB1_11 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.121473e-03 0.004395 0.007862 True md_ensemble 7 61 98 - CB_GB1_7 N_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 99 + CB_GB1_7 N_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 99 CB_GB1_7 CA_GB1_12 1 1.552063e-02 1.980248e-04 ; 4.833945e-01 3.041158e-01 4.109114e-01 6.761980e-03 0.004395 0.007117 True md_ensemble 7 61 101 CB_GB1_7 CB_GB1_12 1 7.864619e-03 5.088162e-05 ; 4.316654e-01 3.039026e-01 4.092166e-01 7.246254e-03 0.004395 0.007860 True md_ensemble 7 61 102 CB_GB1_7 CG_GB1_12 1 6.663782e-03 4.180177e-05 ; 4.294497e-01 2.655748e-01 6.215121e-01 2.271993e-02 0.004395 0.007117 True md_ensemble 7 61 103 @@ -10488,7 +10488,7 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CB_GB1_7 CA_GB1_13 1 5.442847e-03 2.128422e-05 ; 3.969221e-01 3.479641e-01 9.613057e-01 2.828305e-03 0.004395 0.007117 True md_ensemble 7 61 110 CB_GB1_7 CB_GB1_13 1 1.253153e-02 1.479930e-04 ; 4.772063e-01 2.652815e-01 1.935715e-01 2.472667e-03 0.004395 0.007860 True md_ensemble 7 61 111 CB_GB1_7 CG_GB1_13 1 9.508045e-03 1.413794e-04 ; 4.958867e-01 1.598588e-01 2.508395e-02 4.388386e-03 0.004395 0.007860 True md_ensemble 7 61 112 - CB_GB1_7 NZ_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 115 + CB_GB1_7 NZ_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 115 CB_GB1_7 C_GB1_13 1 4.427070e-03 1.445489e-05 ; 3.851676e-01 3.389675e-01 8.074738e-01 6.077017e-04 0.004395 0.001132 True md_ensemble 7 61 116 CB_GB1_7 O_GB1_13 1 1.672962e-03 3.336763e-06 ; 3.547915e-01 2.096944e-01 6.590388e-02 7.991483e-04 0.004395 0.007862 True md_ensemble 7 61 117 CB_GB1_7 N_GB1_14 1 2.385167e-03 4.067724e-06 ; 3.456518e-01 3.496439e-01 9.931219e-01 1.393651e-04 0.004395 0.001132 True md_ensemble 7 61 118 @@ -10498,226 +10498,226 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CB_GB1_7 N_GB1_15 1 6.134656e-03 3.195066e-05 ; 4.163401e-01 2.944696e-01 3.408371e-01 1.740029e-05 0.004395 0.001132 True md_ensemble 7 61 123 CB_GB1_7 CA_GB1_15 1 1.687888e-02 2.113565e-04 ; 4.818871e-01 3.369860e-01 7.770487e-01 1.244583e-03 0.004395 0.007117 True md_ensemble 7 61 125 CB_GB1_7 CB_GB1_15 1 4.587496e-03 7.245784e-05 ; 5.009007e-01 7.261159e-02 4.623292e-03 7.736552e-04 0.004395 0.007860 True md_ensemble 7 61 126 - CB_GB1_7 CD_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 128 - CB_GB1_7 OE1_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 129 - CB_GB1_7 OE2_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 130 + CB_GB1_7 CD_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 128 + CB_GB1_7 OE1_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 129 + CB_GB1_7 OE2_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 130 CB_GB1_7 C_GB1_15 1 3.032546e-03 2.830338e-05 ; 4.588511e-01 8.123001e-02 5.463877e-03 4.766421e-04 0.004395 0.001132 True md_ensemble 7 61 131 CB_GB1_7 O_GB1_15 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 3.242000e-05 5.000428e-04 0.004395 0.007862 True md_ensemble 7 61 132 - CB_GB1_7 N_GB1_16 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 133 - CB_GB1_7 OG1_GB1_16 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 137 + CB_GB1_7 N_GB1_16 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 133 + CB_GB1_7 OG1_GB1_16 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 137 CB_GB1_7 CG2_GB1_16 1 5.254369e-03 6.396705e-05 ; 4.796296e-01 1.079008e-01 9.162527e-03 2.749289e-03 0.004395 0.012151 True md_ensemble 7 61 138 - CB_GB1_7 C_GB1_16 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 139 + CB_GB1_7 C_GB1_16 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 139 CB_GB1_7 O_GB1_16 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.893880e-04 0.004395 0.007862 True md_ensemble 7 61 140 - CB_GB1_7 N_GB1_17 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 141 - CB_GB1_7 OG1_GB1_17 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 145 - CB_GB1_7 C_GB1_17 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 147 + CB_GB1_7 N_GB1_17 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 141 + CB_GB1_7 OG1_GB1_17 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 145 + CB_GB1_7 C_GB1_17 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 147 CB_GB1_7 O_GB1_17 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.440627e-04 0.004395 0.007862 True md_ensemble 7 61 148 - CB_GB1_7 N_GB1_18 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 149 - CB_GB1_7 OG1_GB1_18 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 153 - CB_GB1_7 C_GB1_18 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 155 + CB_GB1_7 N_GB1_18 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 149 + CB_GB1_7 OG1_GB1_18 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 153 + CB_GB1_7 C_GB1_18 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 155 CB_GB1_7 O_GB1_18 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.998817e-04 0.004395 0.007862 True md_ensemble 7 61 156 - CB_GB1_7 N_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 157 - CB_GB1_7 CD_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 162 - CB_GB1_7 OE1_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 163 - CB_GB1_7 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 164 - CB_GB1_7 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 165 + CB_GB1_7 N_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 157 + CB_GB1_7 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 162 + CB_GB1_7 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 163 + CB_GB1_7 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 164 + CB_GB1_7 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 165 CB_GB1_7 O_GB1_19 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.389571e-05 0.004395 0.007862 True md_ensemble 7 61 166 - CB_GB1_7 N_GB1_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 167 - CB_GB1_7 C_GB1_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 171 + CB_GB1_7 N_GB1_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 167 + CB_GB1_7 C_GB1_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 171 CB_GB1_7 O_GB1_20 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.627287e-05 0.004395 0.007862 True md_ensemble 7 61 172 - CB_GB1_7 N_GB1_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 173 - CB_GB1_7 C_GB1_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 179 + CB_GB1_7 N_GB1_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 173 + CB_GB1_7 C_GB1_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 179 CB_GB1_7 O_GB1_21 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 61 180 - CB_GB1_7 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 181 - CB_GB1_7 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 185 - CB_GB1_7 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 186 - CB_GB1_7 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 187 - CB_GB1_7 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 188 + CB_GB1_7 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 181 + CB_GB1_7 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 185 + CB_GB1_7 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 186 + CB_GB1_7 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 187 + CB_GB1_7 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 188 CB_GB1_7 O_GB1_22 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 61 189 - CB_GB1_7 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 190 - CB_GB1_7 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 194 + CB_GB1_7 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 190 + CB_GB1_7 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 194 CB_GB1_7 O_GB1_23 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.970983e-06 0.004395 0.007862 True md_ensemble 7 61 195 - CB_GB1_7 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 196 - CB_GB1_7 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 200 + CB_GB1_7 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 196 + CB_GB1_7 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 200 CB_GB1_7 O_GB1_24 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.086209e-04 0.004395 0.007862 True md_ensemble 7 61 201 - CB_GB1_7 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 202 - CB_GB1_7 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 206 - CB_GB1_7 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 208 + CB_GB1_7 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 202 + CB_GB1_7 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 206 + CB_GB1_7 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 208 CB_GB1_7 O_GB1_25 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.051181e-04 0.004395 0.007862 True md_ensemble 7 61 209 - CB_GB1_7 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 210 - CB_GB1_7 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 214 + CB_GB1_7 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 210 + CB_GB1_7 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 214 CB_GB1_7 O_GB1_26 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.714245e-05 0.004395 0.007862 True md_ensemble 7 61 215 - CB_GB1_7 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 216 - CB_GB1_7 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 221 - CB_GB1_7 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 222 - CB_GB1_7 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 223 - CB_GB1_7 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 224 + CB_GB1_7 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 216 + CB_GB1_7 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 221 + CB_GB1_7 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 222 + CB_GB1_7 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 223 + CB_GB1_7 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 224 CB_GB1_7 O_GB1_27 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.896466e-05 0.004395 0.007862 True md_ensemble 7 61 225 - CB_GB1_7 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 226 - CB_GB1_7 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 233 - CB_GB1_7 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 234 + CB_GB1_7 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 226 + CB_GB1_7 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 233 + CB_GB1_7 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 234 CB_GB1_7 O_GB1_28 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.989115e-05 0.004395 0.007862 True md_ensemble 7 61 235 - CB_GB1_7 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 236 - CB_GB1_7 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 242 + CB_GB1_7 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 236 + CB_GB1_7 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 242 CB_GB1_7 O_GB1_29 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 61 243 - CB_GB1_7 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 244 - CB_GB1_7 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 254 + CB_GB1_7 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 244 + CB_GB1_7 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 254 CB_GB1_7 O_GB1_30 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.995595e-05 0.004395 0.007862 True md_ensemble 7 61 255 - CB_GB1_7 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 256 - CB_GB1_7 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 263 - CB_GB1_7 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 264 + CB_GB1_7 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 256 + CB_GB1_7 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 263 + CB_GB1_7 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 264 CB_GB1_7 O_GB1_31 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.141834e-05 0.004395 0.007862 True md_ensemble 7 61 265 - CB_GB1_7 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 266 - CB_GB1_7 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 271 + CB_GB1_7 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 266 + CB_GB1_7 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 271 CB_GB1_7 OE1_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.999605e-05 0.004395 0.007862 True md_ensemble 7 61 272 - CB_GB1_7 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 273 - CB_GB1_7 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 274 + CB_GB1_7 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 273 + CB_GB1_7 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 274 CB_GB1_7 O_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.953073e-04 0.004395 0.007862 True md_ensemble 7 61 275 - CB_GB1_7 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 276 + CB_GB1_7 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 276 CB_GB1_7 CD1_GB1_33 1 3.567011e-03 1.874827e-05 ; 4.169745e-01 1.696632e-01 3.033400e-02 4.453560e-04 0.004395 0.012152 True md_ensemble 7 61 281 CB_GB1_7 CD2_GB1_33 1 3.567011e-03 1.874827e-05 ; 4.169745e-01 1.696632e-01 3.033400e-02 4.453560e-04 0.004395 0.012152 True md_ensemble 7 61 282 CB_GB1_7 CE1_GB1_33 1 2.663041e-03 9.219112e-06 ; 3.889423e-01 1.923121e-01 4.705298e-02 6.995089e-04 0.004395 0.012152 True md_ensemble 7 61 283 CB_GB1_7 CE2_GB1_33 1 2.663041e-03 9.219112e-06 ; 3.889423e-01 1.923121e-01 4.705298e-02 6.995089e-04 0.004395 0.012152 True md_ensemble 7 61 284 CB_GB1_7 CZ_GB1_33 1 4.784083e-03 3.855474e-05 ; 4.477612e-01 1.484088e-01 2.009142e-02 7.563830e-04 0.004395 0.012152 True md_ensemble 7 61 285 CB_GB1_7 OH_GB1_33 1 1.051281e-03 3.102613e-06 ; 3.787344e-01 8.905338e-02 6.358547e-03 5.813251e-04 0.004395 0.001132 True md_ensemble 7 61 286 - CB_GB1_7 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 287 + CB_GB1_7 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 287 CB_GB1_7 O_GB1_33 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000636e-04 0.004395 0.007862 True md_ensemble 7 61 288 - CB_GB1_7 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 289 + CB_GB1_7 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 289 CB_GB1_7 CA_GB1_34 1 2.029045e-02 4.354002e-04 ; 5.271483e-01 2.363930e-01 1.105755e-01 2.280296e-04 0.004395 0.007117 True md_ensemble 7 61 291 CB_GB1_7 CB_GB1_34 1 4.994961e-03 6.560797e-05 ; 4.857403e-01 9.507088e-02 7.145177e-03 3.317006e-04 0.004395 0.012151 True md_ensemble 7 61 292 - CB_GB1_7 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 293 + CB_GB1_7 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 293 CB_GB1_7 O_GB1_34 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 61 294 - CB_GB1_7 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 295 - CB_GB1_7 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 299 + CB_GB1_7 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 295 + CB_GB1_7 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 299 CB_GB1_7 OD1_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.997186e-04 0.004395 0.007862 True md_ensemble 7 61 300 - CB_GB1_7 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 301 - CB_GB1_7 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 302 + CB_GB1_7 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 301 + CB_GB1_7 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 302 CB_GB1_7 O_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.326719e-06 0.004395 0.007862 True md_ensemble 7 61 303 - CB_GB1_7 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 304 - CB_GB1_7 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 308 - CB_GB1_7 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 309 - CB_GB1_7 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 310 - CB_GB1_7 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 311 + CB_GB1_7 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 304 + CB_GB1_7 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 308 + CB_GB1_7 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 309 + CB_GB1_7 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 310 + CB_GB1_7 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 311 CB_GB1_7 O_GB1_36 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 61 312 - CB_GB1_7 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 313 + CB_GB1_7 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 313 CB_GB1_7 CB_GB1_37 1 1.106541e-02 1.461600e-04 ; 4.861946e-01 2.094338e-01 6.557182e-02 9.364899e-07 0.004395 0.007860 True md_ensemble 7 61 316 CB_GB1_7 CG_GB1_37 1 2.721927e-03 2.327606e-05 ; 4.522086e-01 7.957627e-02 5.291512e-03 0.000000e+00 0.004395 0.001132 True md_ensemble 7 61 317 CB_GB1_7 OD1_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 2.041425e-03 1.000476e-04 0.004395 0.007862 True md_ensemble 7 61 318 - CB_GB1_7 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 319 - CB_GB1_7 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 320 + CB_GB1_7 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 319 + CB_GB1_7 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 320 CB_GB1_7 O_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 61 321 - CB_GB1_7 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 322 - CB_GB1_7 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 325 + CB_GB1_7 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 322 + CB_GB1_7 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 325 CB_GB1_7 O_GB1_38 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 61 326 - CB_GB1_7 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 327 + CB_GB1_7 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 327 CB_GB1_7 CA_GB1_39 1 1.527774e-02 3.272875e-04 ; 5.270013e-01 1.782907e-01 3.585549e-02 7.903740e-05 0.004395 0.007117 True md_ensemble 7 61 329 CB_GB1_7 CB_GB1_39 1 1.037879e-02 8.182756e-05 ; 4.461273e-01 3.291044e-01 6.669618e-01 1.000011e-04 0.004395 0.007117 True md_ensemble 7 61 330 CB_GB1_7 CG1_GB1_39 1 6.768675e-03 3.557261e-05 ; 4.169673e-01 3.219819e-01 5.809577e-01 0.000000e+00 0.004395 0.012151 True md_ensemble 7 61 331 CB_GB1_7 CG2_GB1_39 1 5.199947e-03 2.059674e-05 ; 3.977711e-01 3.282006e-01 6.553796e-01 9.575295e-06 0.004395 0.012151 True md_ensemble 7 61 332 - CB_GB1_7 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 333 + CB_GB1_7 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 333 CB_GB1_7 O_GB1_39 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 6.345500e-05 1.000468e-04 0.004395 0.007862 True md_ensemble 7 61 334 - CB_GB1_7 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 335 - CB_GB1_7 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 339 - CB_GB1_7 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 340 - CB_GB1_7 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 341 - CB_GB1_7 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 342 + CB_GB1_7 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 335 + CB_GB1_7 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 339 + CB_GB1_7 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 340 + CB_GB1_7 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 341 + CB_GB1_7 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 342 CB_GB1_7 O_GB1_40 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 61 343 - CB_GB1_7 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 344 - CB_GB1_7 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 347 + CB_GB1_7 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 344 + CB_GB1_7 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 347 CB_GB1_7 O_GB1_41 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 61 348 - CB_GB1_7 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 349 - CB_GB1_7 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 354 - CB_GB1_7 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 355 - CB_GB1_7 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 356 - CB_GB1_7 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 357 + CB_GB1_7 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 349 + CB_GB1_7 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 354 + CB_GB1_7 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 355 + CB_GB1_7 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 356 + CB_GB1_7 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 357 CB_GB1_7 O_GB1_42 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000522e-04 0.004395 0.007862 True md_ensemble 7 61 358 - CB_GB1_7 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 359 - CB_GB1_7 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 366 - CB_GB1_7 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 372 + CB_GB1_7 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 359 + CB_GB1_7 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 366 + CB_GB1_7 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 372 CB_GB1_7 O_GB1_43 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000640e-04 0.004395 0.007862 True md_ensemble 7 61 373 - CB_GB1_7 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 374 - CB_GB1_7 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 378 - CB_GB1_7 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 380 + CB_GB1_7 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 374 + CB_GB1_7 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 378 + CB_GB1_7 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 380 CB_GB1_7 O_GB1_44 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 61 381 - CB_GB1_7 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 382 - CB_GB1_7 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 392 - CB_GB1_7 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 393 + CB_GB1_7 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 382 + CB_GB1_7 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 392 + CB_GB1_7 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 393 CB_GB1_7 O_GB1_45 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 61 394 - CB_GB1_7 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 395 - CB_GB1_7 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 399 - CB_GB1_7 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 400 - CB_GB1_7 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 401 - CB_GB1_7 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 402 + CB_GB1_7 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 395 + CB_GB1_7 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 399 + CB_GB1_7 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 400 + CB_GB1_7 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 401 + CB_GB1_7 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 402 CB_GB1_7 O_GB1_46 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000378e-04 0.004395 0.007862 True md_ensemble 7 61 403 - CB_GB1_7 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 404 - CB_GB1_7 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 408 - CB_GB1_7 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 409 - CB_GB1_7 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 410 - CB_GB1_7 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 411 + CB_GB1_7 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 404 + CB_GB1_7 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 408 + CB_GB1_7 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 409 + CB_GB1_7 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 410 + CB_GB1_7 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 411 CB_GB1_7 O_GB1_47 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.075064e-06 0.004395 0.007862 True md_ensemble 7 61 412 - CB_GB1_7 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 413 - CB_GB1_7 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 417 + CB_GB1_7 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 413 + CB_GB1_7 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 417 CB_GB1_7 O_GB1_48 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 61 418 - CB_GB1_7 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 419 - CB_GB1_7 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 423 - CB_GB1_7 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 425 + CB_GB1_7 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 419 + CB_GB1_7 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 423 + CB_GB1_7 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 425 CB_GB1_7 O_GB1_49 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 61 426 - CB_GB1_7 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 427 - CB_GB1_7 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 434 - CB_GB1_7 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 435 + CB_GB1_7 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 427 + CB_GB1_7 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 434 + CB_GB1_7 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 435 CB_GB1_7 O_GB1_50 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 61 436 - CB_GB1_7 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 437 - CB_GB1_7 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 441 - CB_GB1_7 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 443 + CB_GB1_7 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 437 + CB_GB1_7 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 441 + CB_GB1_7 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 443 CB_GB1_7 O_GB1_51 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 61 444 - CB_GB1_7 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 445 - CB_GB1_7 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 455 + CB_GB1_7 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 445 + CB_GB1_7 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 455 CB_GB1_7 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.447075e-04 0.004395 0.007862 True md_ensemble 7 61 456 - CB_GB1_7 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 457 - CB_GB1_7 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 461 - CB_GB1_7 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 463 + CB_GB1_7 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 457 + CB_GB1_7 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 461 + CB_GB1_7 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 463 CB_GB1_7 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 61 464 - CB_GB1_7 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 465 + CB_GB1_7 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 465 CB_GB1_7 CA_GB1_54 1 2.654049e-02 5.464625e-04 ; 5.235304e-01 3.222535e-01 5.840234e-01 7.258780e-05 0.004395 0.007117 True md_ensemble 7 61 467 CB_GB1_7 CB_GB1_54 1 1.471374e-02 1.566802e-04 ; 4.690457e-01 3.454397e-01 9.154009e-01 5.277288e-04 0.004395 0.007117 True md_ensemble 7 61 468 CB_GB1_7 CG1_GB1_54 1 4.109249e-03 1.420069e-05 ; 3.888283e-01 2.972729e-01 3.598691e-01 4.536362e-04 0.004395 0.012151 True md_ensemble 7 61 469 CB_GB1_7 CG2_GB1_54 1 1.178081e-02 1.421036e-04 ; 4.788928e-01 2.441660e-01 1.285559e-01 5.257362e-04 0.004395 0.012151 True md_ensemble 7 61 470 CB_GB1_7 C_GB1_54 1 5.639607e-03 5.744671e-05 ; 4.655890e-01 1.384116e-01 1.655214e-02 0.000000e+00 0.004395 0.001132 True md_ensemble 7 61 471 CB_GB1_7 O_GB1_54 1 5.449131e-03 2.488221e-05 ; 4.073118e-01 2.983359e-01 3.673607e-01 0.000000e+00 0.004395 0.007862 True md_ensemble 7 61 472 - CB_GB1_7 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 473 - CB_GB1_7 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 477 - CB_GB1_7 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 479 + CB_GB1_7 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 473 + CB_GB1_7 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 477 + CB_GB1_7 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 479 CB_GB1_7 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 61 480 - CB_GB1_7 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 481 - CB_GB1_7 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 486 - CB_GB1_7 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 487 - CB_GB1_7 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 488 - CB_GB1_7 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 489 - CB_GB1_7 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 490 - CB_GB1_7 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 491 - CG_GB1_7 C_GB1_7 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 65 - CG_GB1_7 O_GB1_7 1 0.000000e+00 4.147192e-06 ; 3.171815e-01 -4.147192e-06 1.000000e+00 9.984826e-01 0.004395 0.001132 True md_ensemble 4 62 66 - CG_GB1_7 N_GB1_8 1 0.000000e+00 7.574962e-06 ; 3.335109e-01 -7.574962e-06 9.999957e-01 9.999914e-01 0.004395 0.001132 True md_ensemble 4 62 67 - CG_GB1_7 CA_GB1_8 1 0.000000e+00 6.479629e-05 ; 3.988328e-01 -6.479629e-05 9.982079e-01 9.866231e-01 0.004395 0.001132 True md_ensemble 5 62 69 - CG_GB1_7 CB_GB1_8 1 0.000000e+00 3.450437e-05 ; 3.784291e-01 -3.450437e-05 5.931734e-02 1.438949e-01 0.004395 0.001132 True md_ensemble 6 62 70 - CG_GB1_7 CG_GB1_8 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 71 + CB_GB1_7 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 481 + CB_GB1_7 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 486 + CB_GB1_7 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 487 + CB_GB1_7 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 488 + CB_GB1_7 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 489 + CB_GB1_7 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 490 + CB_GB1_7 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 61 491 + CG_GB1_7 C_GB1_7 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 65 + CG_GB1_7 O_GB1_7 1 0.000000e+00 4.147225e-06 ; 3.171817e-01 -4.147225e-06 1.000000e+00 9.984826e-01 0.004395 0.001132 True md_ensemble 4 62 66 + CG_GB1_7 N_GB1_8 1 0.000000e+00 7.574950e-06 ; 3.335109e-01 -7.574950e-06 9.999957e-01 9.999914e-01 0.004395 0.001132 True md_ensemble 4 62 67 + CG_GB1_7 CA_GB1_8 1 0.000000e+00 6.479677e-05 ; 3.988330e-01 -6.479677e-05 9.982079e-01 9.866231e-01 0.004395 0.001132 True md_ensemble 5 62 69 + CG_GB1_7 CB_GB1_8 1 0.000000e+00 3.450423e-05 ; 3.784290e-01 -3.450423e-05 5.931734e-02 1.438949e-01 0.004395 0.001132 True md_ensemble 6 62 70 + CG_GB1_7 CG_GB1_8 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 71 CG_GB1_7 OD1_GB1_8 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.793998e-02 0.004395 0.007862 True md_ensemble 7 62 72 - CG_GB1_7 ND2_GB1_8 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 73 - CG_GB1_7 C_GB1_8 1 0.000000e+00 1.102944e-05 ; 3.441183e-01 -1.102944e-05 2.618112e-01 1.068581e-01 0.004395 0.001132 True md_ensemble 6 62 74 - CG_GB1_7 O_GB1_8 1 0.000000e+00 4.335261e-06 ; 3.183559e-01 -4.335261e-06 7.564720e-03 5.132693e-02 0.004395 0.007862 True md_ensemble 7 62 75 - CG_GB1_7 N_GB1_9 1 0.000000e+00 6.317427e-06 ; 3.285035e-01 -6.317427e-06 2.707680e-01 1.047524e-01 0.004395 0.001132 True md_ensemble 7 62 76 + CG_GB1_7 ND2_GB1_8 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 73 + CG_GB1_7 C_GB1_8 1 0.000000e+00 1.102938e-05 ; 3.441182e-01 -1.102938e-05 2.618112e-01 1.068581e-01 0.004395 0.001132 True md_ensemble 6 62 74 + CG_GB1_7 O_GB1_8 1 0.000000e+00 4.335295e-06 ; 3.183561e-01 -4.335295e-06 7.564720e-03 5.132693e-02 0.004395 0.007862 True md_ensemble 7 62 75 + CG_GB1_7 N_GB1_9 1 0.000000e+00 6.317418e-06 ; 3.285035e-01 -6.317418e-06 2.707680e-01 1.047524e-01 0.004395 0.001132 True md_ensemble 7 62 76 CG_GB1_7 CA_GB1_9 1 4.368238e-03 3.339270e-05 ; 4.438377e-01 1.428568e-01 2.653130e-01 1.046533e-01 0.004395 0.007117 True md_ensemble 7 62 78 - CG_GB1_7 C_GB1_9 1 0.000000e+00 1.341716e-05 ; 3.497841e-01 -1.341716e-05 5.782762e-03 3.377034e-02 0.004395 0.001132 True md_ensemble 7 62 79 + CG_GB1_7 C_GB1_9 1 0.000000e+00 1.341709e-05 ; 3.497839e-01 -1.341709e-05 5.782762e-03 3.377034e-02 0.004395 0.001132 True md_ensemble 7 62 79 CG_GB1_7 O_GB1_9 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.681904e-02 0.004395 0.007862 True md_ensemble 7 62 80 - CG_GB1_7 N_GB1_10 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 81 - CG_GB1_7 NZ_GB1_10 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 88 - CG_GB1_7 C_GB1_10 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 89 + CG_GB1_7 N_GB1_10 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 81 + CG_GB1_7 NZ_GB1_10 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 88 + CG_GB1_7 C_GB1_10 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 89 CG_GB1_7 O_GB1_10 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.843973e-02 0.004395 0.007862 True md_ensemble 7 62 90 - CG_GB1_7 N_GB1_11 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 91 - CG_GB1_7 OG1_GB1_11 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 95 - CG_GB1_7 C_GB1_11 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 97 + CG_GB1_7 N_GB1_11 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 91 + CG_GB1_7 OG1_GB1_11 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 95 + CG_GB1_7 C_GB1_11 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 97 CG_GB1_7 O_GB1_11 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 8.022532e-03 0.004395 0.007862 True md_ensemble 7 62 98 - CG_GB1_7 N_GB1_12 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 99 + CG_GB1_7 N_GB1_12 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 99 CG_GB1_7 CA_GB1_12 1 1.919767e-02 3.607378e-04 ; 5.156130e-01 2.554145e-01 3.858630e-01 1.563048e-02 0.004395 0.006476 True md_ensemble 7 62 101 CG_GB1_7 CB_GB1_12 1 1.039006e-02 9.614639e-05 ; 4.581972e-01 2.807007e-01 4.835811e-01 1.318553e-02 0.004395 0.007117 True md_ensemble 7 62 102 CG_GB1_7 CG_GB1_12 1 8.219598e-03 7.007595e-05 ; 4.519805e-01 2.410306e-01 6.950495e-01 3.720818e-02 0.004395 0.006476 True md_ensemble 7 62 103 @@ -10729,7 +10729,7 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CG_GB1_7 CA_GB1_13 1 1.104282e-02 9.838000e-05 ; 4.553072e-01 3.098797e-01 7.181188e-01 1.012159e-02 0.004395 0.006476 True md_ensemble 7 62 110 CG_GB1_7 CB_GB1_13 1 1.149494e-02 1.705809e-04 ; 4.957210e-01 1.936524e-01 5.171457e-02 7.621000e-03 0.004395 0.007117 True md_ensemble 7 62 111 CG_GB1_7 CG_GB1_13 1 6.940323e-03 1.401986e-04 ; 5.218680e-01 8.589261e-02 1.001804e-02 1.192067e-02 0.004395 0.007117 True md_ensemble 7 62 112 - CG_GB1_7 NZ_GB1_13 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 115 + CG_GB1_7 NZ_GB1_13 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 115 CG_GB1_7 C_GB1_13 1 8.289176e-03 6.492567e-05 ; 4.456400e-01 2.645735e-01 3.690333e-01 2.187220e-03 0.004395 0.001132 True md_ensemble 7 62 116 CG_GB1_7 O_GB1_13 1 2.993970e-03 1.254424e-05 ; 4.015129e-01 1.786448e-01 3.610241e-02 2.686368e-03 0.004395 0.007862 True md_ensemble 7 62 117 CG_GB1_7 N_GB1_14 1 6.958161e-03 3.776054e-05 ; 4.192026e-01 3.205463e-01 8.100966e-01 1.622506e-03 0.004395 0.001132 True md_ensemble 7 62 118 @@ -10739,84 +10739,84 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CG_GB1_7 N_GB1_15 1 7.604670e-03 4.932181e-05 ; 4.318436e-01 2.931310e-01 3.321071e-01 7.095794e-04 0.004395 0.001132 True md_ensemble 7 62 123 CG_GB1_7 CA_GB1_15 1 1.611048e-02 1.954839e-04 ; 4.793659e-01 3.319294e-01 7.045019e-01 3.495821e-03 0.004395 0.006476 True md_ensemble 7 62 125 CG_GB1_7 CB_GB1_15 1 1.179133e-02 2.336801e-04 ; 5.202073e-01 1.487456e-01 2.022299e-02 2.404788e-03 0.004395 0.007117 True md_ensemble 7 62 126 - CG_GB1_7 CD_GB1_15 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 128 - CG_GB1_7 OE1_GB1_15 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 129 - CG_GB1_7 OE2_GB1_15 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 130 + CG_GB1_7 CD_GB1_15 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 128 + CG_GB1_7 OE1_GB1_15 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 129 + CG_GB1_7 OE2_GB1_15 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 130 CG_GB1_7 C_GB1_15 1 6.888625e-03 5.403474e-05 ; 4.457487e-01 2.195493e-01 7.977543e-02 1.098798e-03 0.004395 0.001132 True md_ensemble 7 62 131 CG_GB1_7 O_GB1_15 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 4.082772e-03 1.509636e-03 0.004395 0.007862 True md_ensemble 7 62 132 CG_GB1_7 N_GB1_16 1 4.643648e-03 3.142861e-05 ; 4.349216e-01 1.715274e-01 3.145008e-02 2.308558e-04 0.004395 0.001132 True md_ensemble 7 62 133 CG_GB1_7 CA_GB1_16 1 1.926008e-02 4.500095e-04 ; 5.346800e-01 2.060794e-01 6.144404e-02 2.767937e-03 0.004395 0.006476 True md_ensemble 7 62 135 CG_GB1_7 CB_GB1_16 1 1.940854e-02 3.660102e-04 ; 5.159212e-01 2.572956e-01 1.725362e-01 6.738825e-03 0.004395 0.006476 True md_ensemble 7 62 136 - CG_GB1_7 OG1_GB1_16 1 0.000000e+00 5.720214e-06 ; 3.257962e-01 -5.720214e-06 4.807032e-03 2.100471e-03 0.004395 0.001132 True md_ensemble 7 62 137 + CG_GB1_7 OG1_GB1_16 1 0.000000e+00 5.720195e-06 ; 3.257961e-01 -5.720195e-06 4.807032e-03 2.100471e-03 0.004395 0.001132 True md_ensemble 7 62 137 CG_GB1_7 CG2_GB1_16 1 9.461232e-03 7.828530e-05 ; 4.497337e-01 2.858612e-01 2.884569e-01 5.758396e-03 0.004395 0.010759 True md_ensemble 7 62 138 - CG_GB1_7 C_GB1_16 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 139 + CG_GB1_7 C_GB1_16 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 139 CG_GB1_7 O_GB1_16 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.188700e-03 0.004395 0.007862 True md_ensemble 7 62 140 - CG_GB1_7 N_GB1_17 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 141 - CG_GB1_7 OG1_GB1_17 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 145 - CG_GB1_7 C_GB1_17 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 147 + CG_GB1_7 N_GB1_17 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 141 + CG_GB1_7 OG1_GB1_17 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 145 + CG_GB1_7 C_GB1_17 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 147 CG_GB1_7 O_GB1_17 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 7.709538e-04 0.004395 0.007862 True md_ensemble 7 62 148 - CG_GB1_7 N_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 149 - CG_GB1_7 OG1_GB1_18 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 153 - CG_GB1_7 C_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 155 + CG_GB1_7 N_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 149 + CG_GB1_7 OG1_GB1_18 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 153 + CG_GB1_7 C_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 155 CG_GB1_7 O_GB1_18 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 5.998637e-04 0.004395 0.007862 True md_ensemble 7 62 156 - CG_GB1_7 N_GB1_19 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 157 - CG_GB1_7 CD_GB1_19 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 162 - CG_GB1_7 OE1_GB1_19 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 163 - CG_GB1_7 OE2_GB1_19 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 164 - CG_GB1_7 C_GB1_19 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 165 + CG_GB1_7 N_GB1_19 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 157 + CG_GB1_7 CD_GB1_19 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 162 + CG_GB1_7 OE1_GB1_19 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 163 + CG_GB1_7 OE2_GB1_19 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 164 + CG_GB1_7 C_GB1_19 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 165 CG_GB1_7 O_GB1_19 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 4.158449e-04 0.004395 0.007862 True md_ensemble 7 62 166 - CG_GB1_7 N_GB1_20 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 167 - CG_GB1_7 C_GB1_20 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 171 + CG_GB1_7 N_GB1_20 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 167 + CG_GB1_7 C_GB1_20 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 171 CG_GB1_7 O_GB1_20 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 4.402770e-04 0.004395 0.007862 True md_ensemble 7 62 172 - CG_GB1_7 N_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 173 - CG_GB1_7 C_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 179 + CG_GB1_7 N_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 173 + CG_GB1_7 C_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 179 CG_GB1_7 O_GB1_21 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.000512e-04 0.004395 0.007862 True md_ensemble 7 62 180 - CG_GB1_7 N_GB1_22 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 181 - CG_GB1_7 CG_GB1_22 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 185 - CG_GB1_7 OD1_GB1_22 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 186 - CG_GB1_7 OD2_GB1_22 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 187 - CG_GB1_7 C_GB1_22 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 188 + CG_GB1_7 N_GB1_22 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 181 + CG_GB1_7 CG_GB1_22 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 185 + CG_GB1_7 OD1_GB1_22 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 186 + CG_GB1_7 OD2_GB1_22 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 187 + CG_GB1_7 C_GB1_22 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 188 CG_GB1_7 O_GB1_22 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.705245e-04 0.004395 0.007862 True md_ensemble 7 62 189 - CG_GB1_7 N_GB1_23 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 190 - CG_GB1_7 C_GB1_23 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 194 + CG_GB1_7 N_GB1_23 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 190 + CG_GB1_7 C_GB1_23 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 194 CG_GB1_7 O_GB1_23 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.939457e-04 0.004395 0.007862 True md_ensemble 7 62 195 - CG_GB1_7 N_GB1_24 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 196 - CG_GB1_7 C_GB1_24 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 200 + CG_GB1_7 N_GB1_24 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 196 + CG_GB1_7 C_GB1_24 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 200 CG_GB1_7 O_GB1_24 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 4.759959e-04 0.004395 0.007862 True md_ensemble 7 62 201 - CG_GB1_7 N_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 202 - CG_GB1_7 OG1_GB1_25 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 206 - CG_GB1_7 C_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 208 + CG_GB1_7 N_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 202 + CG_GB1_7 OG1_GB1_25 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 206 + CG_GB1_7 C_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 208 CG_GB1_7 O_GB1_25 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.015008e-04 0.004395 0.007862 True md_ensemble 7 62 209 - CG_GB1_7 N_GB1_26 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 210 - CG_GB1_7 C_GB1_26 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 214 + CG_GB1_7 N_GB1_26 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 210 + CG_GB1_7 C_GB1_26 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 214 CG_GB1_7 O_GB1_26 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.792010e-04 0.004395 0.007862 True md_ensemble 7 62 215 - CG_GB1_7 N_GB1_27 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 216 - CG_GB1_7 CD_GB1_27 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 221 - CG_GB1_7 OE1_GB1_27 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 222 - CG_GB1_7 OE2_GB1_27 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 223 - CG_GB1_7 C_GB1_27 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 224 + CG_GB1_7 N_GB1_27 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 216 + CG_GB1_7 CD_GB1_27 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 221 + CG_GB1_7 OE1_GB1_27 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 222 + CG_GB1_7 OE2_GB1_27 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 223 + CG_GB1_7 C_GB1_27 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 224 CG_GB1_7 O_GB1_27 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 4.999966e-04 0.004395 0.007862 True md_ensemble 7 62 225 - CG_GB1_7 N_GB1_28 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 226 - CG_GB1_7 NZ_GB1_28 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 233 - CG_GB1_7 C_GB1_28 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 234 + CG_GB1_7 N_GB1_28 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 226 + CG_GB1_7 NZ_GB1_28 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 233 + CG_GB1_7 C_GB1_28 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 234 CG_GB1_7 O_GB1_28 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.926762e-04 0.004395 0.007862 True md_ensemble 7 62 235 - CG_GB1_7 N_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 236 - CG_GB1_7 C_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 242 + CG_GB1_7 N_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 236 + CG_GB1_7 C_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 242 CG_GB1_7 O_GB1_29 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 62 243 - CG_GB1_7 N_GB1_30 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 244 - CG_GB1_7 C_GB1_30 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 254 + CG_GB1_7 N_GB1_30 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 244 + CG_GB1_7 C_GB1_30 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 254 CG_GB1_7 O_GB1_30 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 9.995949e-05 0.004395 0.007862 True md_ensemble 7 62 255 - CG_GB1_7 N_GB1_31 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 256 - CG_GB1_7 NZ_GB1_31 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 263 - CG_GB1_7 C_GB1_31 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 264 + CG_GB1_7 N_GB1_31 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 256 + CG_GB1_7 NZ_GB1_31 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 263 + CG_GB1_7 C_GB1_31 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 264 CG_GB1_7 O_GB1_31 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.083219e-05 0.004395 0.007862 True md_ensemble 7 62 265 - CG_GB1_7 N_GB1_32 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 266 - CG_GB1_7 CD_GB1_32 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 271 + CG_GB1_7 N_GB1_32 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 266 + CG_GB1_7 CD_GB1_32 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 271 CG_GB1_7 OE1_GB1_32 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.000010e-04 0.004395 0.007862 True md_ensemble 7 62 272 - CG_GB1_7 NE2_GB1_32 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 273 - CG_GB1_7 C_GB1_32 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 274 + CG_GB1_7 NE2_GB1_32 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 273 + CG_GB1_7 C_GB1_32 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 274 CG_GB1_7 O_GB1_32 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.995051e-04 0.004395 0.007862 True md_ensemble 7 62 275 - CG_GB1_7 N_GB1_33 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 276 + CG_GB1_7 N_GB1_33 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 276 CG_GB1_7 CA_GB1_33 1 2.008983e-02 5.980974e-04 ; 5.567146e-01 1.687022e-01 2.977416e-02 2.000487e-04 0.004395 0.006476 True md_ensemble 7 62 278 CG_GB1_7 CB_GB1_33 1 1.321890e-02 2.360287e-04 ; 5.112440e-01 1.850828e-01 4.090074e-02 5.086429e-04 0.004395 0.007117 True md_ensemble 7 62 279 CG_GB1_7 CG_GB1_33 1 8.021141e-03 1.068573e-04 ; 4.868868e-01 1.505248e-01 2.093256e-02 5.080253e-04 0.004395 0.010759 True md_ensemble 7 62 280 @@ -10833,137 +10833,137 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CG_GB1_7 CB_GB1_34 1 1.217222e-02 1.122508e-04 ; 4.579344e-01 3.299818e-01 6.784022e-01 5.479388e-04 0.004395 0.010759 True md_ensemble 7 62 292 CG_GB1_7 C_GB1_34 1 8.125263e-03 1.173620e-04 ; 4.934937e-01 1.406331e-01 1.728043e-02 1.000482e-04 0.004395 0.001132 True md_ensemble 7 62 293 CG_GB1_7 O_GB1_34 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 1.572857e-03 1.057732e-04 0.004395 0.007862 True md_ensemble 7 62 294 - CG_GB1_7 N_GB1_35 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 295 - CG_GB1_7 CG_GB1_35 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 299 + CG_GB1_7 N_GB1_35 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 295 + CG_GB1_7 CG_GB1_35 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 299 CG_GB1_7 OD1_GB1_35 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.621802e-04 0.004395 0.007862 True md_ensemble 7 62 300 - CG_GB1_7 ND2_GB1_35 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 301 - CG_GB1_7 C_GB1_35 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 302 + CG_GB1_7 ND2_GB1_35 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 301 + CG_GB1_7 C_GB1_35 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 302 CG_GB1_7 O_GB1_35 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.169030e-04 0.004395 0.007862 True md_ensemble 7 62 303 - CG_GB1_7 N_GB1_36 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 304 - CG_GB1_7 CG_GB1_36 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 308 - CG_GB1_7 OD1_GB1_36 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 309 - CG_GB1_7 OD2_GB1_36 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 310 - CG_GB1_7 C_GB1_36 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 311 + CG_GB1_7 N_GB1_36 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 304 + CG_GB1_7 CG_GB1_36 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 308 + CG_GB1_7 OD1_GB1_36 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 309 + CG_GB1_7 OD2_GB1_36 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 310 + CG_GB1_7 C_GB1_36 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 311 CG_GB1_7 O_GB1_36 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.972844e-04 0.004395 0.007862 True md_ensemble 7 62 312 - CG_GB1_7 N_GB1_37 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 313 + CG_GB1_7 N_GB1_37 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 313 CG_GB1_7 CA_GB1_37 1 2.705291e-02 8.635966e-04 ; 5.632262e-01 2.118639e-01 6.873437e-02 2.728767e-04 0.004395 0.006476 True md_ensemble 7 62 315 CG_GB1_7 CB_GB1_37 1 1.412439e-02 1.575899e-04 ; 4.727082e-01 3.164834e-01 5.222259e-01 1.036318e-04 0.004395 0.007117 True md_ensemble 7 62 316 CG_GB1_7 CG_GB1_37 1 1.125371e-02 1.169067e-04 ; 4.671151e-01 2.708272e-01 2.155388e-01 1.335808e-04 0.004395 0.001132 True md_ensemble 7 62 317 CG_GB1_7 OD1_GB1_37 1 3.908131e-03 2.333940e-05 ; 4.259449e-01 1.636020e-01 2.697155e-02 2.948929e-04 0.004395 0.007862 True md_ensemble 7 62 318 CG_GB1_7 ND2_GB1_37 1 9.813318e-03 9.156093e-05 ; 4.588271e-01 2.629430e-01 1.849933e-01 4.757302e-04 0.004395 0.001132 True md_ensemble 7 62 319 - CG_GB1_7 C_GB1_37 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 320 + CG_GB1_7 C_GB1_37 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 320 CG_GB1_7 O_GB1_37 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 6.548797e-05 0.004395 0.007862 True md_ensemble 7 62 321 - CG_GB1_7 N_GB1_38 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 322 - CG_GB1_7 C_GB1_38 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 325 + CG_GB1_7 N_GB1_38 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 322 + CG_GB1_7 C_GB1_38 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 325 CG_GB1_7 O_GB1_38 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 62 326 - CG_GB1_7 N_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 327 + CG_GB1_7 N_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 327 CG_GB1_7 CA_GB1_39 1 2.956575e-02 7.296651e-04 ; 5.395799e-01 2.994981e-01 3.757304e-01 1.771583e-04 0.004395 0.006476 True md_ensemble 7 62 329 CG_GB1_7 CB_GB1_39 1 8.162544e-03 4.801669e-05 ; 4.248749e-01 3.468956e-01 9.416018e-01 5.214230e-04 0.004395 0.006476 True md_ensemble 7 62 330 CG_GB1_7 CG1_GB1_39 1 7.525260e-03 4.112165e-05 ; 4.196863e-01 3.442805e-01 8.950626e-01 2.291806e-04 0.004395 0.010759 True md_ensemble 7 62 331 CG_GB1_7 CG2_GB1_39 1 4.995125e-03 1.798195e-05 ; 3.914850e-01 3.468933e-01 9.415605e-01 2.927774e-04 0.004395 0.010759 True md_ensemble 7 62 332 - CG_GB1_7 C_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 333 + CG_GB1_7 C_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 333 CG_GB1_7 O_GB1_39 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 1.876240e-03 2.000540e-04 0.004395 0.007862 True md_ensemble 7 62 334 - CG_GB1_7 N_GB1_40 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 335 - CG_GB1_7 CG_GB1_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 339 - CG_GB1_7 OD1_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 340 - CG_GB1_7 OD2_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 341 - CG_GB1_7 C_GB1_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 342 + CG_GB1_7 N_GB1_40 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 335 + CG_GB1_7 CG_GB1_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 339 + CG_GB1_7 OD1_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 340 + CG_GB1_7 OD2_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 341 + CG_GB1_7 C_GB1_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 342 CG_GB1_7 O_GB1_40 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.142826e-04 0.004395 0.007862 True md_ensemble 7 62 343 - CG_GB1_7 N_GB1_41 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 344 - CG_GB1_7 C_GB1_41 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 347 + CG_GB1_7 N_GB1_41 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 344 + CG_GB1_7 C_GB1_41 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 347 CG_GB1_7 O_GB1_41 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.065134e-05 0.004395 0.007862 True md_ensemble 7 62 348 - CG_GB1_7 N_GB1_42 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 349 - CG_GB1_7 CD_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 354 - CG_GB1_7 OE1_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 355 - CG_GB1_7 OE2_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 356 - CG_GB1_7 C_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 357 + CG_GB1_7 N_GB1_42 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 349 + CG_GB1_7 CD_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 354 + CG_GB1_7 OE1_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 355 + CG_GB1_7 OE2_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 356 + CG_GB1_7 C_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 357 CG_GB1_7 O_GB1_42 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 7.789880e-05 0.004395 0.007862 True md_ensemble 7 62 358 - CG_GB1_7 N_GB1_43 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 359 - CG_GB1_7 NE1_GB1_43 1 0.000000e+00 9.937288e-06 ; 8.853117e-06 -9.937288e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 366 - CG_GB1_7 C_GB1_43 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 372 + CG_GB1_7 N_GB1_43 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 359 + CG_GB1_7 NE1_GB1_43 1 0.000000e+00 9.937231e-06 ; 8.853066e-06 -9.937231e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 366 + CG_GB1_7 C_GB1_43 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 372 CG_GB1_7 O_GB1_43 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.000767e-04 0.004395 0.007862 True md_ensemble 7 62 373 - CG_GB1_7 N_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 374 - CG_GB1_7 OG1_GB1_44 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 378 - CG_GB1_7 C_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 380 + CG_GB1_7 N_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 374 + CG_GB1_7 OG1_GB1_44 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 378 + CG_GB1_7 C_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 380 CG_GB1_7 O_GB1_44 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 62 381 - CG_GB1_7 N_GB1_45 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 382 - CG_GB1_7 OH_GB1_45 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 392 - CG_GB1_7 C_GB1_45 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 393 + CG_GB1_7 N_GB1_45 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 382 + CG_GB1_7 OH_GB1_45 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 392 + CG_GB1_7 C_GB1_45 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 393 CG_GB1_7 O_GB1_45 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 62 394 - CG_GB1_7 N_GB1_46 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 395 - CG_GB1_7 CG_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 399 - CG_GB1_7 OD1_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 400 - CG_GB1_7 OD2_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 401 - CG_GB1_7 C_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 402 + CG_GB1_7 N_GB1_46 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 395 + CG_GB1_7 CG_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 399 + CG_GB1_7 OD1_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 400 + CG_GB1_7 OD2_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 401 + CG_GB1_7 C_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 402 CG_GB1_7 O_GB1_46 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.046016e-04 0.004395 0.007862 True md_ensemble 7 62 403 - CG_GB1_7 N_GB1_47 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 404 - CG_GB1_7 CG_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 408 - CG_GB1_7 OD1_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 409 - CG_GB1_7 OD2_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 410 - CG_GB1_7 C_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 411 + CG_GB1_7 N_GB1_47 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 404 + CG_GB1_7 CG_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 408 + CG_GB1_7 OD1_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 409 + CG_GB1_7 OD2_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 410 + CG_GB1_7 C_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 411 CG_GB1_7 O_GB1_47 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.001027e-04 0.004395 0.007862 True md_ensemble 7 62 412 - CG_GB1_7 N_GB1_48 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 413 - CG_GB1_7 C_GB1_48 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 417 + CG_GB1_7 N_GB1_48 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 413 + CG_GB1_7 C_GB1_48 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 417 CG_GB1_7 O_GB1_48 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.017164e-04 0.004395 0.007862 True md_ensemble 7 62 418 - CG_GB1_7 N_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 419 - CG_GB1_7 OG1_GB1_49 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 423 - CG_GB1_7 C_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 425 + CG_GB1_7 N_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 419 + CG_GB1_7 OG1_GB1_49 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 423 + CG_GB1_7 C_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 425 CG_GB1_7 O_GB1_49 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.000271e-04 0.004395 0.007862 True md_ensemble 7 62 426 - CG_GB1_7 N_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 427 - CG_GB1_7 NZ_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 434 - CG_GB1_7 C_GB1_50 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 435 + CG_GB1_7 N_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 427 + CG_GB1_7 NZ_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 434 + CG_GB1_7 C_GB1_50 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 435 CG_GB1_7 O_GB1_50 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.432054e-04 0.004395 0.007862 True md_ensemble 7 62 436 - CG_GB1_7 N_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 437 - CG_GB1_7 OG1_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 441 - CG_GB1_7 C_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 443 + CG_GB1_7 N_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 437 + CG_GB1_7 OG1_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 441 + CG_GB1_7 C_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 443 CG_GB1_7 O_GB1_51 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 62 444 - CG_GB1_7 N_GB1_52 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 445 - CG_GB1_7 C_GB1_52 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 455 + CG_GB1_7 N_GB1_52 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 445 + CG_GB1_7 C_GB1_52 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 455 CG_GB1_7 O_GB1_52 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 4.201899e-04 0.004395 0.007862 True md_ensemble 7 62 456 - CG_GB1_7 N_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 457 - CG_GB1_7 OG1_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 461 - CG_GB1_7 C_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 463 + CG_GB1_7 N_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 457 + CG_GB1_7 OG1_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 461 + CG_GB1_7 C_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 463 CG_GB1_7 O_GB1_53 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 62 464 - CG_GB1_7 N_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 465 + CG_GB1_7 N_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 465 CG_GB1_7 CA_GB1_54 1 3.389171e-02 8.466964e-04 ; 5.406784e-01 3.391559e-01 8.104278e-01 7.955311e-05 0.004395 0.006476 True md_ensemble 7 62 467 CG_GB1_7 CB_GB1_54 1 1.308890e-02 1.226846e-04 ; 4.591781e-01 3.491049e-01 9.828004e-01 1.022569e-03 0.004395 0.006476 True md_ensemble 7 62 468 CG_GB1_7 CG1_GB1_54 1 4.261581e-03 1.351731e-05 ; 3.833127e-01 3.358855e-01 7.606494e-01 8.825965e-04 0.004395 0.010759 True md_ensemble 7 62 469 CG_GB1_7 CG2_GB1_54 1 1.448644e-02 1.627825e-04 ; 4.732686e-01 3.222966e-01 5.845121e-01 7.000263e-04 0.004395 0.010759 True md_ensemble 7 62 470 CG_GB1_7 C_GB1_54 1 1.078868e-02 1.398727e-04 ; 4.846863e-01 2.080385e-01 6.382222e-02 0.000000e+00 0.004395 0.001132 True md_ensemble 7 62 471 CG_GB1_7 O_GB1_54 1 5.255716e-03 2.578187e-05 ; 4.122055e-01 2.678486e-01 2.034471e-01 3.667123e-06 0.004395 0.007862 True md_ensemble 7 62 472 - CG_GB1_7 N_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 473 - CG_GB1_7 OG1_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 477 - CG_GB1_7 C_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 479 + CG_GB1_7 N_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 473 + CG_GB1_7 OG1_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 477 + CG_GB1_7 C_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 479 CG_GB1_7 O_GB1_55 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 62 480 - CG_GB1_7 N_GB1_56 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 481 - CG_GB1_7 CD_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 486 - CG_GB1_7 OE1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 487 - CG_GB1_7 OE2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 488 - CG_GB1_7 C_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 489 - CG_GB1_7 O1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 490 - CG_GB1_7 O2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 491 - CD1_GB1_7 C_GB1_7 1 0.000000e+00 4.447768e-06 ; 3.190364e-01 -4.447768e-06 9.823426e-01 9.234469e-01 0.004395 0.001132 True md_ensemble 4 63 65 + CG_GB1_7 N_GB1_56 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 481 + CG_GB1_7 CD_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 486 + CG_GB1_7 OE1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 487 + CG_GB1_7 OE2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 488 + CG_GB1_7 C_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 489 + CG_GB1_7 O1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 490 + CG_GB1_7 O2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 62 491 + CD1_GB1_7 C_GB1_7 1 0.000000e+00 4.447710e-06 ; 3.190360e-01 -4.447710e-06 9.823426e-01 9.234469e-01 0.004395 0.001132 True md_ensemble 4 63 65 CD1_GB1_7 O_GB1_7 1 0.000000e+00 1.442839e-06 ; 2.904668e-01 -1.442839e-06 1.631905e-01 1.225305e-01 0.004395 0.001132 True md_ensemble 5 63 66 - CD1_GB1_7 N_GB1_8 1 0.000000e+00 2.522299e-06 ; 3.043066e-01 -2.522299e-06 2.433503e-01 1.629154e-01 0.004395 0.001132 True md_ensemble 5 63 67 - CD1_GB1_7 CA_GB1_8 1 0.000000e+00 2.140473e-05 ; 3.636672e-01 -2.140473e-05 2.247949e-01 1.265057e-01 0.004395 0.001132 True md_ensemble 6 63 69 - CD1_GB1_7 CG_GB1_8 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 71 + CD1_GB1_7 N_GB1_8 1 0.000000e+00 2.522275e-06 ; 3.043064e-01 -2.522275e-06 2.433503e-01 1.629154e-01 0.004395 0.001132 True md_ensemble 5 63 67 + CD1_GB1_7 CA_GB1_8 1 0.000000e+00 2.140472e-05 ; 3.636672e-01 -2.140472e-05 2.247949e-01 1.265057e-01 0.004395 0.001132 True md_ensemble 6 63 69 + CD1_GB1_7 CG_GB1_8 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 71 CD1_GB1_7 OD1_GB1_8 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 72 - CD1_GB1_7 ND2_GB1_8 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 73 - CD1_GB1_7 C_GB1_8 1 0.000000e+00 4.408736e-06 ; 3.188021e-01 -4.408736e-06 9.137738e-02 2.422285e-02 0.004395 0.001132 True md_ensemble 7 63 74 + CD1_GB1_7 ND2_GB1_8 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 73 + CD1_GB1_7 C_GB1_8 1 0.000000e+00 4.408678e-06 ; 3.188018e-01 -4.408678e-06 9.137738e-02 2.422285e-02 0.004395 0.001132 True md_ensemble 7 63 74 CD1_GB1_7 O_GB1_8 1 0.000000e+00 1.524799e-06 ; 2.918072e-01 -1.524799e-06 5.331657e-03 1.916651e-02 0.004395 0.007862 True md_ensemble 7 63 75 CD1_GB1_7 N_GB1_9 1 4.282541e-04 6.497067e-07 ; 3.389763e-01 7.057092e-02 1.057528e-01 2.692946e-02 0.004395 0.001132 True md_ensemble 7 63 76 CD1_GB1_7 CA_GB1_9 1 2.607146e-03 9.144720e-06 ; 3.897931e-01 1.858233e-01 1.072632e-01 3.141270e-02 0.004395 0.012151 True md_ensemble 7 63 78 - CD1_GB1_7 C_GB1_9 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 79 + CD1_GB1_7 C_GB1_9 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 79 CD1_GB1_7 O_GB1_9 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 80 - CD1_GB1_7 N_GB1_10 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 81 - CD1_GB1_7 NZ_GB1_10 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 88 - CD1_GB1_7 C_GB1_10 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 89 + CD1_GB1_7 N_GB1_10 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 81 + CD1_GB1_7 NZ_GB1_10 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 88 + CD1_GB1_7 C_GB1_10 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 89 CD1_GB1_7 O_GB1_10 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 90 - CD1_GB1_7 N_GB1_11 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 91 - CD1_GB1_7 OG1_GB1_11 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 95 - CD1_GB1_7 C_GB1_11 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 97 + CD1_GB1_7 N_GB1_11 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 91 + CD1_GB1_7 OG1_GB1_11 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 95 + CD1_GB1_7 C_GB1_11 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 97 CD1_GB1_7 O_GB1_11 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 98 - CD1_GB1_7 N_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 99 + CD1_GB1_7 N_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 99 CD1_GB1_7 CA_GB1_12 1 1.074357e-02 1.219196e-04 ; 4.740463e-01 2.366814e-01 1.615908e-01 1.563463e-02 0.004395 0.010759 True md_ensemble 7 63 101 CD1_GB1_7 CB_GB1_12 1 4.023420e-03 1.424196e-05 ; 3.903874e-01 2.841587e-01 2.892975e-01 1.259548e-02 0.004395 0.012151 True md_ensemble 7 63 102 CD1_GB1_7 CG_GB1_12 1 3.229681e-03 9.839478e-06 ; 3.807461e-01 2.650251e-01 5.581717e-01 3.117752e-02 0.004395 0.010759 True md_ensemble 7 63 103 @@ -10973,7 +10973,7 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CD1_GB1_7 O_GB1_12 1 2.122635e-03 4.554544e-06 ; 3.591382e-01 2.473123e-01 1.366398e-01 4.428923e-03 0.004395 0.007862 True md_ensemble 7 63 107 CD1_GB1_7 N_GB1_13 1 2.047617e-03 9.190742e-06 ; 4.061474e-01 1.140478e-01 2.883994e-02 3.161861e-03 0.004395 0.001132 True md_ensemble 7 63 108 CD1_GB1_7 CA_GB1_13 1 1.236476e-02 1.381414e-04 ; 4.728133e-01 2.766863e-01 2.520407e-01 1.123004e-02 0.004395 0.010759 True md_ensemble 7 63 110 - CD1_GB1_7 NZ_GB1_13 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 115 + CD1_GB1_7 NZ_GB1_13 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 115 CD1_GB1_7 C_GB1_13 1 3.248601e-03 1.418447e-05 ; 4.042836e-01 1.860029e-01 1.243063e-01 3.378514e-03 0.004395 0.001132 True md_ensemble 7 63 116 CD1_GB1_7 O_GB1_13 1 8.548350e-04 1.022993e-06 ; 3.258355e-01 1.785796e-01 3.605680e-02 2.526690e-03 0.004395 0.007862 True md_ensemble 7 63 117 CD1_GB1_7 N_GB1_14 1 3.583486e-03 1.323634e-05 ; 3.931670e-01 2.425401e-01 3.084997e-01 2.802581e-03 0.004395 0.001132 True md_ensemble 7 63 118 @@ -10983,7 +10983,7 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CD1_GB1_7 N_GB1_15 1 2.072961e-03 3.915028e-06 ; 3.515798e-01 2.744022e-01 2.569838e-01 1.258910e-03 0.004395 0.001132 True md_ensemble 7 63 123 CD1_GB1_7 CA_GB1_15 1 3.775783e-03 1.186030e-05 ; 3.826909e-01 3.005096e-01 3.831695e-01 3.813391e-03 0.004395 0.010759 True md_ensemble 7 63 125 CD1_GB1_7 CB_GB1_15 1 8.953721e-03 1.032842e-04 ; 4.753408e-01 1.940497e-01 4.866476e-02 2.021490e-03 0.004395 0.012151 True md_ensemble 7 63 126 - CD1_GB1_7 CD_GB1_15 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 128 + CD1_GB1_7 CD_GB1_15 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 128 CD1_GB1_7 OE1_GB1_15 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 129 CD1_GB1_7 OE2_GB1_15 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 130 CD1_GB1_7 C_GB1_15 1 3.003310e-03 8.533909e-06 ; 3.763495e-01 2.642362e-01 1.896891e-01 1.045130e-03 0.004395 0.001132 True md_ensemble 7 63 131 @@ -10991,76 +10991,76 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CD1_GB1_7 N_GB1_16 1 3.266087e-03 1.058948e-05 ; 3.847168e-01 2.518378e-01 1.491670e-01 4.578792e-04 0.004395 0.001132 True md_ensemble 7 63 133 CD1_GB1_7 CA_GB1_16 1 1.149735e-02 1.252915e-04 ; 4.708551e-01 2.637631e-01 1.879575e-01 3.537990e-03 0.004395 0.010759 True md_ensemble 7 63 135 CD1_GB1_7 CB_GB1_16 1 6.552519e-03 3.837185e-05 ; 4.245551e-01 2.797331e-01 2.561503e-01 6.015457e-03 0.004395 0.010759 True md_ensemble 7 63 136 - CD1_GB1_7 OG1_GB1_16 1 0.000000e+00 2.065780e-06 ; 2.992853e-01 -2.065780e-06 7.318225e-03 1.951671e-03 0.004395 0.001132 True md_ensemble 7 63 137 + CD1_GB1_7 OG1_GB1_16 1 0.000000e+00 2.065757e-06 ; 2.992850e-01 -2.065757e-06 7.318225e-03 1.951671e-03 0.004395 0.001132 True md_ensemble 7 63 137 CD1_GB1_7 CG2_GB1_16 1 2.733857e-03 6.535164e-06 ; 3.656623e-01 2.859137e-01 2.887508e-01 5.107094e-03 0.004395 0.020717 True md_ensemble 7 63 138 - CD1_GB1_7 C_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 139 + CD1_GB1_7 C_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 139 CD1_GB1_7 O_GB1_16 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 140 - CD1_GB1_7 N_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 141 - CD1_GB1_7 OG1_GB1_17 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 145 - CD1_GB1_7 C_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 147 + CD1_GB1_7 N_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 141 + CD1_GB1_7 OG1_GB1_17 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 145 + CD1_GB1_7 C_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 147 CD1_GB1_7 O_GB1_17 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 148 - CD1_GB1_7 N_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 149 - CD1_GB1_7 OG1_GB1_18 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 153 - CD1_GB1_7 C_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 155 + CD1_GB1_7 N_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 149 + CD1_GB1_7 OG1_GB1_18 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 153 + CD1_GB1_7 C_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 155 CD1_GB1_7 O_GB1_18 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 156 - CD1_GB1_7 N_GB1_19 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 157 - CD1_GB1_7 CD_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 162 + CD1_GB1_7 N_GB1_19 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 157 + CD1_GB1_7 CD_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 162 CD1_GB1_7 OE1_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 163 CD1_GB1_7 OE2_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 164 - CD1_GB1_7 C_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 165 + CD1_GB1_7 C_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 165 CD1_GB1_7 O_GB1_19 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 166 - CD1_GB1_7 N_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 167 - CD1_GB1_7 C_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 171 + CD1_GB1_7 N_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 167 + CD1_GB1_7 C_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 171 CD1_GB1_7 O_GB1_20 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 172 - CD1_GB1_7 N_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 173 - CD1_GB1_7 C_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 179 + CD1_GB1_7 N_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 173 + CD1_GB1_7 C_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 179 CD1_GB1_7 O_GB1_21 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 180 - CD1_GB1_7 N_GB1_22 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 181 - CD1_GB1_7 CG_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 185 + CD1_GB1_7 N_GB1_22 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 181 + CD1_GB1_7 CG_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 185 CD1_GB1_7 OD1_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 186 CD1_GB1_7 OD2_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 187 - CD1_GB1_7 C_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 188 + CD1_GB1_7 C_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 188 CD1_GB1_7 O_GB1_22 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 189 - CD1_GB1_7 N_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 190 - CD1_GB1_7 C_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 194 + CD1_GB1_7 N_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 190 + CD1_GB1_7 C_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 194 CD1_GB1_7 O_GB1_23 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 195 - CD1_GB1_7 N_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 196 - CD1_GB1_7 C_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 200 + CD1_GB1_7 N_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 196 + CD1_GB1_7 C_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 200 CD1_GB1_7 O_GB1_24 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 201 - CD1_GB1_7 N_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 202 - CD1_GB1_7 OG1_GB1_25 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 206 - CD1_GB1_7 C_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 208 + CD1_GB1_7 N_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 202 + CD1_GB1_7 OG1_GB1_25 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 206 + CD1_GB1_7 C_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 208 CD1_GB1_7 O_GB1_25 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 209 - CD1_GB1_7 N_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 210 - CD1_GB1_7 C_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 214 + CD1_GB1_7 N_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 210 + CD1_GB1_7 C_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 214 CD1_GB1_7 O_GB1_26 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 215 - CD1_GB1_7 N_GB1_27 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 216 - CD1_GB1_7 CD_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 221 + CD1_GB1_7 N_GB1_27 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 216 + CD1_GB1_7 CD_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 221 CD1_GB1_7 OE1_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 222 CD1_GB1_7 OE2_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 223 - CD1_GB1_7 C_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 224 + CD1_GB1_7 C_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 224 CD1_GB1_7 O_GB1_27 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 225 - CD1_GB1_7 N_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 226 - CD1_GB1_7 NZ_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 233 - CD1_GB1_7 C_GB1_28 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 234 + CD1_GB1_7 N_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 226 + CD1_GB1_7 NZ_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 233 + CD1_GB1_7 C_GB1_28 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 234 CD1_GB1_7 O_GB1_28 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 235 - CD1_GB1_7 N_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 236 - CD1_GB1_7 C_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 242 + CD1_GB1_7 N_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 236 + CD1_GB1_7 C_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 242 CD1_GB1_7 O_GB1_29 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 243 - CD1_GB1_7 N_GB1_30 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 244 - CD1_GB1_7 C_GB1_30 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 254 + CD1_GB1_7 N_GB1_30 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 244 + CD1_GB1_7 C_GB1_30 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 254 CD1_GB1_7 O_GB1_30 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 255 - CD1_GB1_7 N_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 256 - CD1_GB1_7 NZ_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 263 - CD1_GB1_7 C_GB1_31 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 264 + CD1_GB1_7 N_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 256 + CD1_GB1_7 NZ_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 263 + CD1_GB1_7 C_GB1_31 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 264 CD1_GB1_7 O_GB1_31 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 265 - CD1_GB1_7 N_GB1_32 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 266 - CD1_GB1_7 CD_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 271 + CD1_GB1_7 N_GB1_32 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 266 + CD1_GB1_7 CD_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 271 CD1_GB1_7 OE1_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 272 - CD1_GB1_7 NE2_GB1_32 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 273 - CD1_GB1_7 C_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 274 + CD1_GB1_7 NE2_GB1_32 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 273 + CD1_GB1_7 C_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 274 CD1_GB1_7 O_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 275 - CD1_GB1_7 N_GB1_33 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 276 + CD1_GB1_7 N_GB1_33 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 276 CD1_GB1_7 CA_GB1_33 1 1.272906e-02 1.737741e-04 ; 4.888753e-01 2.331029e-01 1.037440e-01 1.720104e-04 0.004395 0.010759 True md_ensemble 7 63 278 CD1_GB1_7 CB_GB1_33 1 5.997655e-03 3.913520e-05 ; 4.322792e-01 2.297923e-01 9.729588e-02 4.090888e-04 0.004395 0.012151 True md_ensemble 7 63 279 CD1_GB1_7 CG_GB1_33 1 6.664427e-03 4.441086e-05 ; 4.337982e-01 2.500210e-01 1.440055e-01 5.253448e-04 0.004395 0.020719 True md_ensemble 7 63 280 @@ -11077,140 +11077,140 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CD1_GB1_7 CB_GB1_34 1 2.665648e-03 5.640803e-06 ; 3.583079e-01 3.149232e-01 5.066688e-01 6.290505e-04 0.004395 0.020717 True md_ensemble 7 63 292 CD1_GB1_7 C_GB1_34 1 6.862704e-03 5.027759e-05 ; 4.407035e-01 2.341834e-01 1.059396e-01 1.102189e-04 0.004395 0.001132 True md_ensemble 7 63 293 CD1_GB1_7 O_GB1_34 1 2.321663e-03 9.595656e-06 ; 4.006015e-01 1.404312e-01 1.721294e-02 1.603481e-04 0.004395 0.007862 True md_ensemble 7 63 294 - CD1_GB1_7 N_GB1_35 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 295 - CD1_GB1_7 CG_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 299 + CD1_GB1_7 N_GB1_35 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 295 + CD1_GB1_7 CG_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 299 CD1_GB1_7 OD1_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 300 - CD1_GB1_7 ND2_GB1_35 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 301 - CD1_GB1_7 C_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 302 + CD1_GB1_7 ND2_GB1_35 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 301 + CD1_GB1_7 C_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 302 CD1_GB1_7 O_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 303 - CD1_GB1_7 N_GB1_36 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 304 - CD1_GB1_7 CG_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 308 + CD1_GB1_7 N_GB1_36 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 304 + CD1_GB1_7 CG_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 308 CD1_GB1_7 OD1_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 309 CD1_GB1_7 OD2_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 310 - CD1_GB1_7 C_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 311 + CD1_GB1_7 C_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 311 CD1_GB1_7 O_GB1_36 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 312 - CD1_GB1_7 N_GB1_37 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 313 + CD1_GB1_7 N_GB1_37 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 313 CD1_GB1_7 CA_GB1_37 1 1.405390e-02 1.757325e-04 ; 4.817731e-01 2.809841e-01 2.624375e-01 4.190720e-04 0.004395 0.010759 True md_ensemble 7 63 315 CD1_GB1_7 CB_GB1_37 1 2.386414e-03 4.530850e-06 ; 3.518890e-01 3.142332e-01 4.999374e-01 2.006284e-04 0.004395 0.012151 True md_ensemble 7 63 316 CD1_GB1_7 CG_GB1_37 1 2.148819e-03 3.870972e-06 ; 3.488216e-01 2.982083e-01 3.664534e-01 2.733885e-04 0.004395 0.001132 True md_ensemble 7 63 317 CD1_GB1_7 OD1_GB1_37 1 1.104693e-03 1.216636e-06 ; 3.213561e-01 2.507625e-01 1.460902e-01 2.251157e-04 0.004395 0.007862 True md_ensemble 7 63 318 CD1_GB1_7 ND2_GB1_37 1 1.776761e-03 2.658218e-06 ; 3.381896e-01 2.968981e-01 3.572645e-01 6.794461e-04 0.004395 0.001132 True md_ensemble 7 63 319 - CD1_GB1_7 C_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 320 + CD1_GB1_7 C_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 320 CD1_GB1_7 O_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 321 - CD1_GB1_7 N_GB1_38 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 322 - CD1_GB1_7 C_GB1_38 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 325 + CD1_GB1_7 N_GB1_38 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 322 + CD1_GB1_7 C_GB1_38 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 325 CD1_GB1_7 O_GB1_38 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 326 - CD1_GB1_7 N_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 327 + CD1_GB1_7 N_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 327 CD1_GB1_7 CA_GB1_39 1 1.518698e-02 2.005587e-04 ; 4.861777e-01 2.875022e-01 2.977799e-01 3.157600e-04 0.004395 0.010759 True md_ensemble 7 63 329 CD1_GB1_7 CB_GB1_39 1 3.560698e-03 9.510942e-06 ; 3.724901e-01 3.332627e-01 7.229463e-01 6.833879e-04 0.004395 0.010759 True md_ensemble 7 63 330 CD1_GB1_7 CG1_GB1_39 1 2.181004e-03 3.811999e-06 ; 3.470692e-01 3.119608e-01 4.783950e-01 4.144597e-04 0.004395 0.020717 True md_ensemble 7 63 331 CD1_GB1_7 CG2_GB1_39 1 2.889336e-03 6.242317e-06 ; 3.595489e-01 3.343414e-01 7.382210e-01 3.519267e-04 0.004395 0.020717 True md_ensemble 7 63 332 CD1_GB1_7 C_GB1_39 1 3.019270e-03 2.314099e-05 ; 4.440310e-01 9.848314e-02 7.633740e-03 2.000005e-04 0.004395 0.001132 True md_ensemble 7 63 333 CD1_GB1_7 O_GB1_39 1 7.797927e-04 1.663985e-06 ; 3.588077e-01 9.135847e-02 6.649087e-03 2.000925e-04 0.004395 0.007862 True md_ensemble 7 63 334 - CD1_GB1_7 N_GB1_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 335 - CD1_GB1_7 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 339 + CD1_GB1_7 N_GB1_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 335 + CD1_GB1_7 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 339 CD1_GB1_7 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 340 CD1_GB1_7 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 341 - CD1_GB1_7 C_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 342 + CD1_GB1_7 C_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 342 CD1_GB1_7 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 343 - CD1_GB1_7 N_GB1_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 344 - CD1_GB1_7 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 347 + CD1_GB1_7 N_GB1_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 344 + CD1_GB1_7 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 347 CD1_GB1_7 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 348 - CD1_GB1_7 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 349 - CD1_GB1_7 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 354 + CD1_GB1_7 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 349 + CD1_GB1_7 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 354 CD1_GB1_7 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 355 CD1_GB1_7 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 356 - CD1_GB1_7 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 357 + CD1_GB1_7 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 357 CD1_GB1_7 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 358 - CD1_GB1_7 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 359 - CD1_GB1_7 NE1_GB1_43 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 366 + CD1_GB1_7 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 359 + CD1_GB1_7 NE1_GB1_43 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 366 CD1_GB1_7 CZ2_GB1_43 1 2.327271e-03 1.578217e-05 ; 4.350642e-01 8.579603e-02 5.969495e-03 1.199807e-03 0.004395 0.020719 True md_ensemble 7 63 369 - CD1_GB1_7 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 372 + CD1_GB1_7 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 372 CD1_GB1_7 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 373 - CD1_GB1_7 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 374 - CD1_GB1_7 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 378 - CD1_GB1_7 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 380 + CD1_GB1_7 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 374 + CD1_GB1_7 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 378 + CD1_GB1_7 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 380 CD1_GB1_7 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 381 - CD1_GB1_7 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 382 - CD1_GB1_7 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 392 - CD1_GB1_7 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 393 + CD1_GB1_7 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 382 + CD1_GB1_7 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 392 + CD1_GB1_7 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 393 CD1_GB1_7 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 394 - CD1_GB1_7 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 395 - CD1_GB1_7 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 399 + CD1_GB1_7 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 395 + CD1_GB1_7 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 399 CD1_GB1_7 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 400 CD1_GB1_7 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 401 - CD1_GB1_7 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 402 + CD1_GB1_7 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 402 CD1_GB1_7 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 403 - CD1_GB1_7 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 404 - CD1_GB1_7 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 408 + CD1_GB1_7 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 404 + CD1_GB1_7 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 408 CD1_GB1_7 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 409 CD1_GB1_7 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 410 - CD1_GB1_7 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 411 + CD1_GB1_7 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 411 CD1_GB1_7 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 412 - CD1_GB1_7 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 413 - CD1_GB1_7 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 417 + CD1_GB1_7 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 413 + CD1_GB1_7 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 417 CD1_GB1_7 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 418 - CD1_GB1_7 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 419 - CD1_GB1_7 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 423 - CD1_GB1_7 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 425 + CD1_GB1_7 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 419 + CD1_GB1_7 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 423 + CD1_GB1_7 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 425 CD1_GB1_7 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 426 - CD1_GB1_7 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 427 - CD1_GB1_7 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 434 - CD1_GB1_7 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 435 + CD1_GB1_7 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 427 + CD1_GB1_7 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 434 + CD1_GB1_7 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 435 CD1_GB1_7 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 436 - CD1_GB1_7 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 437 - CD1_GB1_7 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 441 - CD1_GB1_7 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 443 + CD1_GB1_7 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 437 + CD1_GB1_7 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 441 + CD1_GB1_7 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 443 CD1_GB1_7 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 444 - CD1_GB1_7 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 445 - CD1_GB1_7 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 455 + CD1_GB1_7 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 445 + CD1_GB1_7 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 455 CD1_GB1_7 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 456 - CD1_GB1_7 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 457 - CD1_GB1_7 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 461 - CD1_GB1_7 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 463 + CD1_GB1_7 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 457 + CD1_GB1_7 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 461 + CD1_GB1_7 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 463 CD1_GB1_7 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 464 - CD1_GB1_7 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 465 + CD1_GB1_7 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 465 CD1_GB1_7 CA_GB1_54 1 9.023258e-03 7.381437e-05 ; 4.488793e-01 2.757565e-01 2.371484e-01 1.486380e-04 0.004395 0.010759 True md_ensemble 7 63 467 CD1_GB1_7 CB_GB1_54 1 2.076046e-03 3.790477e-06 ; 3.496038e-01 2.842629e-01 2.796574e-01 6.037608e-04 0.004395 0.010759 True md_ensemble 7 63 468 CD1_GB1_7 CG1_GB1_54 1 1.805284e-03 2.774674e-06 ; 3.397122e-01 2.936425e-01 3.354163e-01 7.103077e-04 0.004395 0.020717 True md_ensemble 7 63 469 CD1_GB1_7 CG2_GB1_54 1 3.780594e-03 1.307158e-05 ; 3.888613e-01 2.733581e-01 2.263762e-01 4.936307e-04 0.004395 0.020717 True md_ensemble 7 63 470 CD1_GB1_7 C_GB1_54 1 5.099707e-03 2.653758e-05 ; 4.162804e-01 2.450018e-01 1.306554e-01 0.000000e+00 0.004395 0.001132 True md_ensemble 7 63 471 CD1_GB1_7 O_GB1_54 1 1.613557e-03 2.588735e-06 ; 3.421505e-01 2.514322e-01 1.479989e-01 3.682789e-05 0.004395 0.007862 True md_ensemble 7 63 472 - CD1_GB1_7 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 473 + CD1_GB1_7 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 473 CD1_GB1_7 CA_GB1_55 1 8.805640e-03 1.417071e-04 ; 5.024642e-01 1.367950e-01 1.604152e-02 2.264508e-04 0.004395 0.010759 True md_ensemble 7 63 475 - CD1_GB1_7 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 477 - CD1_GB1_7 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 479 + CD1_GB1_7 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 477 + CD1_GB1_7 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 479 CD1_GB1_7 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 480 - CD1_GB1_7 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 481 + CD1_GB1_7 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 481 CD1_GB1_7 CG_GB1_56 1 2.246412e-03 1.192955e-05 ; 4.176916e-01 1.057535e-01 8.788990e-03 2.999903e-04 0.004395 0.012151 True md_ensemble 7 63 485 - CD1_GB1_7 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 486 + CD1_GB1_7 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 486 CD1_GB1_7 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 487 CD1_GB1_7 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 488 - CD1_GB1_7 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 489 + CD1_GB1_7 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 489 CD1_GB1_7 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 490 CD1_GB1_7 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 63 491 - CD2_GB1_7 C_GB1_7 1 0.000000e+00 4.717741e-06 ; 3.206069e-01 -4.717741e-06 9.986244e-01 9.968523e-01 0.004395 0.001132 True md_ensemble 4 64 65 + CD2_GB1_7 C_GB1_7 1 0.000000e+00 4.717679e-06 ; 3.206065e-01 -4.717679e-06 9.986244e-01 9.968523e-01 0.004395 0.001132 True md_ensemble 4 64 65 CD2_GB1_7 O_GB1_7 1 0.000000e+00 1.572898e-06 ; 2.925634e-01 -1.572898e-06 1.889831e-01 2.347985e-01 0.004395 0.001132 True md_ensemble 5 64 66 - CD2_GB1_7 N_GB1_8 1 0.000000e+00 3.260539e-06 ; 3.108869e-01 -3.260539e-06 2.430664e-01 4.317746e-01 0.004395 0.001132 True md_ensemble 5 64 67 - CD2_GB1_7 CA_GB1_8 1 0.000000e+00 2.669980e-05 ; 3.704282e-01 -2.669980e-05 8.181456e-02 2.065892e-01 0.004395 0.001132 True md_ensemble 6 64 69 - CD2_GB1_7 CG_GB1_8 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 71 + CD2_GB1_7 N_GB1_8 1 0.000000e+00 3.260508e-06 ; 3.108867e-01 -3.260508e-06 2.430664e-01 4.317746e-01 0.004395 0.001132 True md_ensemble 5 64 67 + CD2_GB1_7 CA_GB1_8 1 0.000000e+00 2.669979e-05 ; 3.704282e-01 -2.669979e-05 8.181456e-02 2.065892e-01 0.004395 0.001132 True md_ensemble 6 64 69 + CD2_GB1_7 CG_GB1_8 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 71 CD2_GB1_7 OD1_GB1_8 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 72 - CD2_GB1_7 ND2_GB1_8 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 73 - CD2_GB1_7 C_GB1_8 1 0.000000e+00 4.699466e-06 ; 3.205032e-01 -4.699466e-06 1.680936e-02 1.117064e-02 0.004395 0.001132 True md_ensemble 7 64 74 + CD2_GB1_7 ND2_GB1_8 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 73 + CD2_GB1_7 C_GB1_8 1 0.000000e+00 4.699405e-06 ; 3.205029e-01 -4.699405e-06 1.680936e-02 1.117064e-02 0.004395 0.001132 True md_ensemble 7 64 74 CD2_GB1_7 O_GB1_8 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 75 - CD2_GB1_7 N_GB1_9 1 0.000000e+00 2.694828e-06 ; 3.059891e-01 -2.694828e-06 4.887189e-02 3.133648e-02 0.004395 0.001132 True md_ensemble 7 64 76 + CD2_GB1_7 N_GB1_9 1 0.000000e+00 2.694802e-06 ; 3.059888e-01 -2.694802e-06 4.887189e-02 3.133648e-02 0.004395 0.001132 True md_ensemble 7 64 76 CD2_GB1_7 CA_GB1_9 1 2.830964e-03 1.313170e-05 ; 4.083800e-01 1.525766e-01 7.738811e-02 4.317168e-02 0.004395 0.012151 True md_ensemble 7 64 78 - CD2_GB1_7 C_GB1_9 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 79 + CD2_GB1_7 C_GB1_9 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 79 CD2_GB1_7 O_GB1_9 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 80 - CD2_GB1_7 N_GB1_10 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 81 - CD2_GB1_7 NZ_GB1_10 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 88 - CD2_GB1_7 C_GB1_10 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 89 + CD2_GB1_7 N_GB1_10 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 81 + CD2_GB1_7 NZ_GB1_10 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 88 + CD2_GB1_7 C_GB1_10 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 89 CD2_GB1_7 O_GB1_10 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 90 - CD2_GB1_7 N_GB1_11 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 91 - CD2_GB1_7 OG1_GB1_11 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 95 - CD2_GB1_7 C_GB1_11 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 97 + CD2_GB1_7 N_GB1_11 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 91 + CD2_GB1_7 OG1_GB1_11 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 95 + CD2_GB1_7 C_GB1_11 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 97 CD2_GB1_7 O_GB1_11 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 98 - CD2_GB1_7 N_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 99 + CD2_GB1_7 N_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 99 CD2_GB1_7 CA_GB1_12 1 8.608262e-03 7.135718e-05 ; 4.498700e-01 2.596171e-01 2.404469e-01 1.491481e-02 0.004395 0.010759 True md_ensemble 7 64 101 CD2_GB1_7 CB_GB1_12 1 3.400920e-03 9.913848e-06 ; 3.779558e-01 2.916692e-01 3.480724e-01 1.310134e-02 0.004395 0.012151 True md_ensemble 7 64 102 CD2_GB1_7 CG_GB1_12 1 2.893360e-03 8.128164e-06 ; 3.756341e-01 2.574854e-01 4.437217e-01 2.868493e-02 0.004395 0.010759 True md_ensemble 7 64 103 @@ -11221,92 +11221,92 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CD2_GB1_7 N_GB1_13 1 1.872817e-03 5.810940e-06 ; 3.819078e-01 1.508982e-01 6.086966e-02 3.266956e-03 0.004395 0.001132 True md_ensemble 7 64 108 CD2_GB1_7 CA_GB1_13 1 5.195444e-03 2.552987e-05 ; 4.123231e-01 2.643242e-01 1.900129e-01 9.250248e-03 0.004395 0.010759 True md_ensemble 7 64 110 CD2_GB1_7 CB_GB1_13 1 5.231745e-03 6.252724e-05 ; 4.781569e-01 1.094369e-01 9.439437e-03 7.762231e-03 0.004395 0.012151 True md_ensemble 7 64 111 - CD2_GB1_7 NZ_GB1_13 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 115 + CD2_GB1_7 NZ_GB1_13 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 115 CD2_GB1_7 C_GB1_13 1 2.422073e-03 8.675501e-06 ; 3.911571e-01 1.690519e-01 8.556792e-02 3.230254e-03 0.004395 0.001132 True md_ensemble 7 64 116 CD2_GB1_7 O_GB1_13 1 1.153998e-03 2.734954e-06 ; 3.651384e-01 1.217307e-01 1.197938e-02 3.281206e-03 0.004395 0.007862 True md_ensemble 7 64 117 CD2_GB1_7 N_GB1_14 1 1.990257e-03 4.935956e-06 ; 3.679118e-01 2.006260e-01 1.163039e-01 2.380839e-03 0.004395 0.001132 True md_ensemble 7 64 118 CD2_GB1_7 CA_GB1_14 1 5.705991e-03 3.100201e-05 ; 4.192854e-01 2.625502e-01 1.835903e-01 7.508012e-03 0.004395 0.012151 True md_ensemble 7 64 120 CD2_GB1_7 C_GB1_14 1 4.125307e-03 2.950785e-05 ; 4.389485e-01 1.441833e-01 5.182198e-02 3.167979e-03 0.004395 0.001132 True md_ensemble 7 64 121 CD2_GB1_7 O_GB1_14 1 2.079370e-03 8.736022e-06 ; 4.016955e-01 1.237342e-01 1.245374e-02 2.952446e-03 0.004395 0.007862 True md_ensemble 7 64 122 - CD2_GB1_7 N_GB1_15 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 123 + CD2_GB1_7 N_GB1_15 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 123 CD2_GB1_7 CA_GB1_15 1 9.651194e-03 1.611300e-04 ; 5.055521e-01 1.445193e-01 1.863238e-02 3.416462e-03 0.004395 0.010759 True md_ensemble 7 64 125 - CD2_GB1_7 CD_GB1_15 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 128 + CD2_GB1_7 CD_GB1_15 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 128 CD2_GB1_7 OE1_GB1_15 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 129 CD2_GB1_7 OE2_GB1_15 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 130 - CD2_GB1_7 C_GB1_15 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 131 + CD2_GB1_7 C_GB1_15 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 131 CD2_GB1_7 O_GB1_15 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 132 - CD2_GB1_7 N_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 133 + CD2_GB1_7 N_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 133 CD2_GB1_7 CB_GB1_16 1 7.078339e-03 9.416907e-05 ; 4.867764e-01 1.330131e-01 1.490767e-02 5.685413e-03 0.004395 0.010759 True md_ensemble 7 64 136 - CD2_GB1_7 OG1_GB1_16 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 137 + CD2_GB1_7 OG1_GB1_16 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 137 CD2_GB1_7 CG2_GB1_16 1 3.554469e-03 1.707242e-05 ; 4.107587e-01 1.850097e-01 4.084281e-02 5.410237e-03 0.004395 0.020717 True md_ensemble 7 64 138 - CD2_GB1_7 C_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 139 + CD2_GB1_7 C_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 139 CD2_GB1_7 O_GB1_16 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 140 - CD2_GB1_7 N_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 141 - CD2_GB1_7 OG1_GB1_17 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 145 - CD2_GB1_7 C_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 147 + CD2_GB1_7 N_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 141 + CD2_GB1_7 OG1_GB1_17 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 145 + CD2_GB1_7 C_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 147 CD2_GB1_7 O_GB1_17 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 148 - CD2_GB1_7 N_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 149 - CD2_GB1_7 OG1_GB1_18 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 153 - CD2_GB1_7 C_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 155 + CD2_GB1_7 N_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 149 + CD2_GB1_7 OG1_GB1_18 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 153 + CD2_GB1_7 C_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 155 CD2_GB1_7 O_GB1_18 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 156 - CD2_GB1_7 N_GB1_19 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 157 - CD2_GB1_7 CD_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 162 + CD2_GB1_7 N_GB1_19 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 157 + CD2_GB1_7 CD_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 162 CD2_GB1_7 OE1_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 163 CD2_GB1_7 OE2_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 164 - CD2_GB1_7 C_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 165 + CD2_GB1_7 C_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 165 CD2_GB1_7 O_GB1_19 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 166 - CD2_GB1_7 N_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 167 - CD2_GB1_7 C_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 171 + CD2_GB1_7 N_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 167 + CD2_GB1_7 C_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 171 CD2_GB1_7 O_GB1_20 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 172 - CD2_GB1_7 N_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 173 - CD2_GB1_7 C_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 179 + CD2_GB1_7 N_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 173 + CD2_GB1_7 C_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 179 CD2_GB1_7 O_GB1_21 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 180 - CD2_GB1_7 N_GB1_22 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 181 - CD2_GB1_7 CG_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 185 + CD2_GB1_7 N_GB1_22 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 181 + CD2_GB1_7 CG_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 185 CD2_GB1_7 OD1_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 186 CD2_GB1_7 OD2_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 187 - CD2_GB1_7 C_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 188 + CD2_GB1_7 C_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 188 CD2_GB1_7 O_GB1_22 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 189 - CD2_GB1_7 N_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 190 - CD2_GB1_7 C_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 194 + CD2_GB1_7 N_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 190 + CD2_GB1_7 C_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 194 CD2_GB1_7 O_GB1_23 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 195 - CD2_GB1_7 N_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 196 - CD2_GB1_7 C_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 200 + CD2_GB1_7 N_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 196 + CD2_GB1_7 C_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 200 CD2_GB1_7 O_GB1_24 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 201 - CD2_GB1_7 N_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 202 - CD2_GB1_7 OG1_GB1_25 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 206 - CD2_GB1_7 C_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 208 + CD2_GB1_7 N_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 202 + CD2_GB1_7 OG1_GB1_25 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 206 + CD2_GB1_7 C_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 208 CD2_GB1_7 O_GB1_25 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 209 - CD2_GB1_7 N_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 210 - CD2_GB1_7 C_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 214 + CD2_GB1_7 N_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 210 + CD2_GB1_7 C_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 214 CD2_GB1_7 O_GB1_26 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 215 - CD2_GB1_7 N_GB1_27 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 216 - CD2_GB1_7 CD_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 221 + CD2_GB1_7 N_GB1_27 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 216 + CD2_GB1_7 CD_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 221 CD2_GB1_7 OE1_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 222 CD2_GB1_7 OE2_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 223 - CD2_GB1_7 C_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 224 + CD2_GB1_7 C_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 224 CD2_GB1_7 O_GB1_27 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 225 - CD2_GB1_7 N_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 226 - CD2_GB1_7 NZ_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 233 - CD2_GB1_7 C_GB1_28 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 234 + CD2_GB1_7 N_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 226 + CD2_GB1_7 NZ_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 233 + CD2_GB1_7 C_GB1_28 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 234 CD2_GB1_7 O_GB1_28 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 235 - CD2_GB1_7 N_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 236 - CD2_GB1_7 C_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 242 + CD2_GB1_7 N_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 236 + CD2_GB1_7 C_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 242 CD2_GB1_7 O_GB1_29 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 243 - CD2_GB1_7 N_GB1_30 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 244 - CD2_GB1_7 C_GB1_30 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 254 + CD2_GB1_7 N_GB1_30 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 244 + CD2_GB1_7 C_GB1_30 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 254 CD2_GB1_7 O_GB1_30 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 255 - CD2_GB1_7 N_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 256 - CD2_GB1_7 NZ_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 263 - CD2_GB1_7 C_GB1_31 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 264 + CD2_GB1_7 N_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 256 + CD2_GB1_7 NZ_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 263 + CD2_GB1_7 C_GB1_31 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 264 CD2_GB1_7 O_GB1_31 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 265 - CD2_GB1_7 N_GB1_32 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 266 - CD2_GB1_7 CD_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 271 + CD2_GB1_7 N_GB1_32 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 266 + CD2_GB1_7 CD_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 271 CD2_GB1_7 OE1_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 272 - CD2_GB1_7 NE2_GB1_32 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 273 - CD2_GB1_7 C_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 274 + CD2_GB1_7 NE2_GB1_32 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 273 + CD2_GB1_7 C_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 274 CD2_GB1_7 O_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 275 - CD2_GB1_7 N_GB1_33 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 276 + CD2_GB1_7 N_GB1_33 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 276 CD2_GB1_7 CA_GB1_33 1 1.270825e-02 1.912575e-04 ; 4.968845e-01 2.111023e-01 6.772715e-02 3.372972e-04 0.004395 0.010759 True md_ensemble 7 64 278 CD2_GB1_7 CB_GB1_33 1 6.406646e-03 5.112387e-05 ; 4.470254e-01 2.007141e-01 5.537511e-02 5.843078e-04 0.004395 0.012151 True md_ensemble 7 64 279 CD2_GB1_7 CG_GB1_33 1 5.687469e-03 3.666057e-05 ; 4.313999e-01 2.205865e-01 8.139545e-02 6.506318e-04 0.004395 0.020719 True md_ensemble 7 64 280 @@ -11323,98 +11323,98 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CD2_GB1_7 CB_GB1_34 1 2.820503e-03 5.899467e-06 ; 3.576139e-01 3.371169e-01 7.790225e-01 6.994348e-04 0.004395 0.020717 True md_ensemble 7 64 292 CD2_GB1_7 C_GB1_34 1 7.276892e-03 5.424867e-05 ; 4.419847e-01 2.440298e-01 1.282169e-01 3.289308e-04 0.004395 0.001132 True md_ensemble 7 64 293 CD2_GB1_7 O_GB1_34 1 2.551562e-03 1.079365e-05 ; 4.021552e-01 1.507939e-01 2.104203e-02 2.413724e-04 0.004395 0.007862 True md_ensemble 7 64 294 - CD2_GB1_7 N_GB1_35 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 295 - CD2_GB1_7 CG_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 299 + CD2_GB1_7 N_GB1_35 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 295 + CD2_GB1_7 CG_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 299 CD2_GB1_7 OD1_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 300 - CD2_GB1_7 ND2_GB1_35 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 301 - CD2_GB1_7 C_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 302 + CD2_GB1_7 ND2_GB1_35 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 301 + CD2_GB1_7 C_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 302 CD2_GB1_7 O_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 303 - CD2_GB1_7 N_GB1_36 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 304 - CD2_GB1_7 CG_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 308 + CD2_GB1_7 N_GB1_36 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 304 + CD2_GB1_7 CG_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 308 CD2_GB1_7 OD1_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 309 CD2_GB1_7 OD2_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 310 - CD2_GB1_7 C_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 311 + CD2_GB1_7 C_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 311 CD2_GB1_7 O_GB1_36 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 312 - CD2_GB1_7 N_GB1_37 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 313 + CD2_GB1_7 N_GB1_37 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 313 CD2_GB1_7 CA_GB1_37 1 1.221961e-02 1.461930e-04 ; 4.782389e-01 2.553454e-01 1.596614e-01 2.220911e-04 0.004395 0.010759 True md_ensemble 7 64 315 CD2_GB1_7 CB_GB1_37 1 2.438013e-03 4.887638e-06 ; 3.550944e-01 3.040276e-01 4.102092e-01 2.199345e-04 0.004395 0.012151 True md_ensemble 7 64 316 CD2_GB1_7 CG_GB1_37 1 1.955265e-03 3.544754e-06 ; 3.491913e-01 2.696280e-01 2.105863e-01 2.077523e-04 0.004395 0.001132 True md_ensemble 7 64 317 CD2_GB1_7 OD1_GB1_37 1 9.279548e-04 1.011494e-06 ; 3.208037e-01 2.128288e-01 7.003200e-02 1.999370e-04 0.004395 0.007862 True md_ensemble 7 64 318 CD2_GB1_7 ND2_GB1_37 1 1.584662e-03 2.328751e-06 ; 3.371820e-01 2.695817e-01 2.103975e-01 3.032514e-04 0.004395 0.001132 True md_ensemble 7 64 319 - CD2_GB1_7 C_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 320 + CD2_GB1_7 C_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 320 CD2_GB1_7 O_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 321 - CD2_GB1_7 N_GB1_38 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 322 - CD2_GB1_7 C_GB1_38 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 325 + CD2_GB1_7 N_GB1_38 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 322 + CD2_GB1_7 C_GB1_38 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 325 CD2_GB1_7 O_GB1_38 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 326 - CD2_GB1_7 N_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 327 + CD2_GB1_7 N_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 327 CD2_GB1_7 CA_GB1_39 1 1.824744e-02 2.690182e-04 ; 4.951802e-01 3.094299e-01 4.554928e-01 2.009844e-04 0.004395 0.010759 True md_ensemble 7 64 329 CD2_GB1_7 CB_GB1_39 1 4.182357e-03 1.255344e-05 ; 3.798017e-01 3.483531e-01 9.685822e-01 4.995635e-04 0.004395 0.010759 True md_ensemble 7 64 330 CD2_GB1_7 CG1_GB1_39 1 3.506022e-03 8.993290e-06 ; 3.699849e-01 3.417045e-01 8.514692e-01 2.587822e-04 0.004395 0.020717 True md_ensemble 7 64 331 CD2_GB1_7 CG2_GB1_39 1 2.986832e-03 6.405232e-06 ; 3.591043e-01 3.481985e-01 9.656841e-01 3.123781e-04 0.004395 0.020717 True md_ensemble 7 64 332 - CD2_GB1_7 C_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 333 + CD2_GB1_7 C_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 333 CD2_GB1_7 O_GB1_39 1 6.790716e-04 1.212103e-06 ; 3.482871e-01 9.511119e-02 7.150762e-03 9.993556e-05 0.004395 0.007862 True md_ensemble 7 64 334 - CD2_GB1_7 N_GB1_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 335 - CD2_GB1_7 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 339 + CD2_GB1_7 N_GB1_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 335 + CD2_GB1_7 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 339 CD2_GB1_7 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 340 CD2_GB1_7 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 341 - CD2_GB1_7 C_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 342 + CD2_GB1_7 C_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 342 CD2_GB1_7 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 343 - CD2_GB1_7 N_GB1_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 344 - CD2_GB1_7 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 347 + CD2_GB1_7 N_GB1_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 344 + CD2_GB1_7 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 347 CD2_GB1_7 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 348 - CD2_GB1_7 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 349 - CD2_GB1_7 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 354 + CD2_GB1_7 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 349 + CD2_GB1_7 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 354 CD2_GB1_7 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 355 CD2_GB1_7 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 356 - CD2_GB1_7 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 357 + CD2_GB1_7 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 357 CD2_GB1_7 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 358 - CD2_GB1_7 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 359 - CD2_GB1_7 NE1_GB1_43 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 366 + CD2_GB1_7 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 359 + CD2_GB1_7 NE1_GB1_43 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 366 CD2_GB1_7 CZ2_GB1_43 1 4.064890e-03 3.010571e-05 ; 4.415027e-01 1.372109e-01 1.617138e-02 1.387558e-03 0.004395 0.020719 True md_ensemble 7 64 369 CD2_GB1_7 CH2_GB1_43 1 3.379027e-03 2.536178e-05 ; 4.424844e-01 1.125495e-01 1.002646e-02 1.700047e-03 0.004395 0.020719 True md_ensemble 7 64 371 - CD2_GB1_7 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 372 + CD2_GB1_7 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 372 CD2_GB1_7 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 373 - CD2_GB1_7 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 374 - CD2_GB1_7 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 378 - CD2_GB1_7 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 380 + CD2_GB1_7 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 374 + CD2_GB1_7 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 378 + CD2_GB1_7 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 380 CD2_GB1_7 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 381 - CD2_GB1_7 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 382 - CD2_GB1_7 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 392 - CD2_GB1_7 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 393 + CD2_GB1_7 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 382 + CD2_GB1_7 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 392 + CD2_GB1_7 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 393 CD2_GB1_7 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 394 - CD2_GB1_7 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 395 - CD2_GB1_7 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 399 + CD2_GB1_7 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 395 + CD2_GB1_7 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 399 CD2_GB1_7 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 400 CD2_GB1_7 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 401 - CD2_GB1_7 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 402 + CD2_GB1_7 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 402 CD2_GB1_7 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 403 - CD2_GB1_7 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 404 - CD2_GB1_7 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 408 + CD2_GB1_7 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 404 + CD2_GB1_7 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 408 CD2_GB1_7 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 409 CD2_GB1_7 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 410 - CD2_GB1_7 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 411 + CD2_GB1_7 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 411 CD2_GB1_7 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 412 - CD2_GB1_7 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 413 - CD2_GB1_7 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 417 + CD2_GB1_7 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 413 + CD2_GB1_7 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 417 CD2_GB1_7 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 418 - CD2_GB1_7 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 419 - CD2_GB1_7 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 423 - CD2_GB1_7 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 425 + CD2_GB1_7 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 419 + CD2_GB1_7 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 423 + CD2_GB1_7 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 425 CD2_GB1_7 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 426 - CD2_GB1_7 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 427 - CD2_GB1_7 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 434 - CD2_GB1_7 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 435 + CD2_GB1_7 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 427 + CD2_GB1_7 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 434 + CD2_GB1_7 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 435 CD2_GB1_7 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 436 - CD2_GB1_7 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 437 - CD2_GB1_7 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 441 - CD2_GB1_7 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 443 + CD2_GB1_7 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 437 + CD2_GB1_7 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 441 + CD2_GB1_7 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 443 CD2_GB1_7 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 444 - CD2_GB1_7 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 445 - CD2_GB1_7 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 455 + CD2_GB1_7 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 445 + CD2_GB1_7 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 455 CD2_GB1_7 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 456 - CD2_GB1_7 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 457 - CD2_GB1_7 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 461 - CD2_GB1_7 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 463 + CD2_GB1_7 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 457 + CD2_GB1_7 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 461 + CD2_GB1_7 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 463 CD2_GB1_7 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 464 CD2_GB1_7 N_GB1_54 1 4.485442e-03 2.840925e-05 ; 4.301393e-01 1.770479e-01 3.500203e-02 4.408461e-05 0.004395 0.001132 True md_ensemble 7 64 465 CD2_GB1_7 CA_GB1_54 1 1.143488e-02 1.038331e-04 ; 4.567558e-01 3.148236e-01 5.056922e-01 3.000140e-04 0.004395 0.010759 True md_ensemble 7 64 467 @@ -11423,35 +11423,35 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CD2_GB1_7 CG2_GB1_54 1 2.224649e-03 3.933111e-06 ; 3.477329e-01 3.145768e-01 5.032781e-01 5.776871e-04 0.004395 0.020717 True md_ensemble 7 64 470 CD2_GB1_7 C_GB1_54 1 6.453071e-03 5.142417e-05 ; 4.469238e-01 2.024443e-01 5.726375e-02 4.084869e-05 0.004395 0.001132 True md_ensemble 7 64 471 CD2_GB1_7 O_GB1_54 1 2.762738e-03 8.453716e-06 ; 3.810231e-01 2.257208e-01 8.991270e-02 9.988776e-05 0.004395 0.007862 True md_ensemble 7 64 472 - CD2_GB1_7 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 473 - CD2_GB1_7 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 477 - CD2_GB1_7 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 479 + CD2_GB1_7 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 473 + CD2_GB1_7 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 477 + CD2_GB1_7 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 479 CD2_GB1_7 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 480 - CD2_GB1_7 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 481 - CD2_GB1_7 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 486 + CD2_GB1_7 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 481 + CD2_GB1_7 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 486 CD2_GB1_7 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 487 CD2_GB1_7 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 488 - CD2_GB1_7 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 489 + CD2_GB1_7 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 489 CD2_GB1_7 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 490 CD2_GB1_7 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 64 491 - C_GB1_7 CB_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 70 - C_GB1_7 CG_GB1_8 1 0.000000e+00 2.464930e-06 ; 3.037237e-01 -2.464930e-06 9.965246e-01 9.450963e-01 0.004395 0.001132 True md_ensemble 4 65 71 - C_GB1_7 OD1_GB1_8 1 0.000000e+00 4.561469e-07 ; 2.638885e-01 -4.561469e-07 8.869358e-01 4.385421e-01 0.004395 0.001132 True md_ensemble 5 65 72 - C_GB1_7 ND2_GB1_8 1 0.000000e+00 1.976707e-06 ; 2.981880e-01 -1.976707e-06 8.228774e-01 5.839217e-01 0.004395 0.001132 True md_ensemble 5 65 73 - C_GB1_7 O_GB1_8 1 0.000000e+00 1.050926e-06 ; 2.828955e-01 -1.050926e-06 5.625974e-01 8.334538e-01 0.004395 0.001132 True md_ensemble 4 65 75 - C_GB1_7 N_GB1_9 1 0.000000e+00 1.461447e-06 ; 2.907771e-01 -1.461447e-06 9.998463e-01 9.688802e-01 0.004395 0.001132 True md_ensemble 4 65 76 - C_GB1_7 CA_GB1_9 1 0.000000e+00 4.788043e-06 ; 3.210023e-01 -4.788043e-06 9.279728e-01 6.839046e-01 0.004395 0.001132 True md_ensemble 5 65 78 + C_GB1_7 CB_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 70 + C_GB1_7 CG_GB1_8 1 0.000000e+00 2.464886e-06 ; 3.037233e-01 -2.464886e-06 9.965246e-01 9.450963e-01 0.004395 0.001132 True md_ensemble 4 65 71 + C_GB1_7 OD1_GB1_8 1 0.000000e+00 4.561448e-07 ; 2.638884e-01 -4.561448e-07 8.869358e-01 4.385421e-01 0.004395 0.001132 True md_ensemble 5 65 72 + C_GB1_7 ND2_GB1_8 1 0.000000e+00 1.976694e-06 ; 2.981879e-01 -1.976694e-06 8.228774e-01 5.839217e-01 0.004395 0.001132 True md_ensemble 5 65 73 + C_GB1_7 O_GB1_8 1 0.000000e+00 1.050921e-06 ; 2.828954e-01 -1.050921e-06 5.625974e-01 8.334538e-01 0.004395 0.001132 True md_ensemble 4 65 75 + C_GB1_7 N_GB1_9 1 0.000000e+00 1.461427e-06 ; 2.907768e-01 -1.461427e-06 9.998463e-01 9.688802e-01 0.004395 0.001132 True md_ensemble 4 65 76 + C_GB1_7 CA_GB1_9 1 0.000000e+00 4.787962e-06 ; 3.210019e-01 -4.787962e-06 9.279728e-01 6.839046e-01 0.004395 0.001132 True md_ensemble 5 65 78 C_GB1_7 C_GB1_9 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 0.000000e+00 8.080426e-02 0.004395 0.001132 True md_ensemble 6 65 79 - C_GB1_7 CB_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 84 - C_GB1_7 CG_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 85 - C_GB1_7 CD_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 86 - C_GB1_7 CE_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 87 - C_GB1_7 CB_GB1_11 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 94 - C_GB1_7 CG2_GB1_11 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 96 + C_GB1_7 CB_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 84 + C_GB1_7 CG_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 85 + C_GB1_7 CD_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 86 + C_GB1_7 CE_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 87 + C_GB1_7 CB_GB1_11 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 94 + C_GB1_7 CG2_GB1_11 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 96 C_GB1_7 CA_GB1_12 1 6.213491e-03 8.422310e-05 ; 4.882954e-01 1.145988e-01 1.043275e-02 1.136495e-03 0.004395 0.008482 True md_ensemble 7 65 101 - C_GB1_7 CB_GB1_12 1 0.000000e+00 6.294324e-06 ; 3.284032e-01 -6.294324e-06 8.652940e-03 2.395040e-03 0.004395 0.001132 True md_ensemble 7 65 102 + C_GB1_7 CB_GB1_12 1 0.000000e+00 6.294218e-06 ; 3.284028e-01 -6.294218e-06 8.652940e-03 2.395040e-03 0.004395 0.001132 True md_ensemble 7 65 102 C_GB1_7 CG_GB1_12 1 2.965307e-03 2.339255e-05 ; 4.461710e-01 9.397269e-02 4.463181e-02 7.220790e-03 0.004395 0.001132 True md_ensemble 7 65 103 - C_GB1_7 CD1_GB1_12 1 0.000000e+00 4.672641e-06 ; 3.203503e-01 -4.672641e-06 1.823689e-02 6.922135e-03 0.004395 0.001132 True md_ensemble 7 65 104 + C_GB1_7 CD1_GB1_12 1 0.000000e+00 4.672580e-06 ; 3.203500e-01 -4.672580e-06 1.823689e-02 6.922135e-03 0.004395 0.001132 True md_ensemble 7 65 104 C_GB1_7 CD2_GB1_12 1 1.437948e-03 5.949842e-06 ; 4.006764e-01 8.688022e-02 2.987170e-02 5.545037e-03 0.004395 0.001132 True md_ensemble 7 65 105 C_GB1_7 C_GB1_12 1 6.190481e-03 3.442017e-05 ; 4.209024e-01 2.783401e-01 2.493268e-01 1.543112e-04 0.004395 0.011584 True md_ensemble 7 65 106 C_GB1_7 O_GB1_12 1 2.055999e-03 3.198346e-06 ; 3.403955e-01 3.304153e-01 6.841272e-01 2.001094e-04 0.004395 0.011584 True md_ensemble 7 65 107 @@ -11467,95 +11467,95 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 C_GB1_7 CA_GB1_14 1 8.858879e-03 5.698000e-05 ; 4.312449e-01 3.443302e-01 8.959255e-01 1.080401e-03 0.004395 0.009458 True md_ensemble 7 65 120 C_GB1_7 C_GB1_14 1 6.821696e-03 3.465535e-05 ; 4.146162e-01 3.357024e-01 7.579549e-01 2.150206e-04 0.004395 0.011584 True md_ensemble 7 65 121 C_GB1_7 O_GB1_14 1 1.990092e-03 2.838781e-06 ; 3.355133e-01 3.487822e-01 9.766712e-01 3.163272e-04 0.004395 0.011584 True md_ensemble 7 65 122 - C_GB1_7 CB_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 126 - C_GB1_7 CG_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 127 - C_GB1_7 CB_GB1_16 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 136 - C_GB1_7 CG2_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 138 - C_GB1_7 CB_GB1_17 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 144 - C_GB1_7 CG2_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 146 - C_GB1_7 CB_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 152 - C_GB1_7 CG2_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 154 - C_GB1_7 CB_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 160 - C_GB1_7 CG_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 161 - C_GB1_7 CB_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 170 - C_GB1_7 CB_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 176 - C_GB1_7 CG1_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 177 - C_GB1_7 CG2_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 178 - C_GB1_7 CB_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 184 - C_GB1_7 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 193 - C_GB1_7 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 199 - C_GB1_7 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 205 - C_GB1_7 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 207 - C_GB1_7 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 213 - C_GB1_7 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 219 - C_GB1_7 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 220 - C_GB1_7 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 229 - C_GB1_7 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 230 - C_GB1_7 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 231 - C_GB1_7 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 232 - C_GB1_7 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 239 - C_GB1_7 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 240 - C_GB1_7 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 241 - C_GB1_7 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 247 - C_GB1_7 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 259 - C_GB1_7 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 260 - C_GB1_7 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 261 - C_GB1_7 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 262 - C_GB1_7 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 269 - C_GB1_7 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 270 - C_GB1_7 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 279 - C_GB1_7 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 292 - C_GB1_7 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 298 - C_GB1_7 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 307 - C_GB1_7 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 316 - C_GB1_7 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 324 + C_GB1_7 CB_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 126 + C_GB1_7 CG_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 127 + C_GB1_7 CB_GB1_16 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 136 + C_GB1_7 CG2_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 138 + C_GB1_7 CB_GB1_17 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 144 + C_GB1_7 CG2_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 146 + C_GB1_7 CB_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 152 + C_GB1_7 CG2_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 154 + C_GB1_7 CB_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 160 + C_GB1_7 CG_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 161 + C_GB1_7 CB_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 170 + C_GB1_7 CB_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 176 + C_GB1_7 CG1_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 177 + C_GB1_7 CG2_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 178 + C_GB1_7 CB_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 184 + C_GB1_7 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 193 + C_GB1_7 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 199 + C_GB1_7 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 205 + C_GB1_7 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 207 + C_GB1_7 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 213 + C_GB1_7 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 219 + C_GB1_7 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 220 + C_GB1_7 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 229 + C_GB1_7 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 230 + C_GB1_7 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 231 + C_GB1_7 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 232 + C_GB1_7 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 239 + C_GB1_7 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 240 + C_GB1_7 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 241 + C_GB1_7 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 247 + C_GB1_7 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 259 + C_GB1_7 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 260 + C_GB1_7 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 261 + C_GB1_7 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 262 + C_GB1_7 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 269 + C_GB1_7 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 270 + C_GB1_7 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 279 + C_GB1_7 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 292 + C_GB1_7 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 298 + C_GB1_7 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 307 + C_GB1_7 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 316 + C_GB1_7 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 324 C_GB1_7 CB_GB1_39 1 8.638657e-03 1.059129e-04 ; 4.801944e-01 1.761504e-01 3.439841e-02 1.000561e-04 0.004395 0.001132 True md_ensemble 7 65 330 C_GB1_7 CG1_GB1_39 1 5.508902e-03 3.264161e-05 ; 4.253872e-01 2.324334e-01 1.024064e-01 0.000000e+00 0.004395 0.001132 True md_ensemble 7 65 331 C_GB1_7 CG2_GB1_39 1 4.964166e-03 3.549125e-05 ; 4.389137e-01 1.735847e-01 3.272955e-02 1.861873e-04 0.004395 0.001132 True md_ensemble 7 65 332 - C_GB1_7 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 338 - C_GB1_7 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 346 - C_GB1_7 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 352 - C_GB1_7 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 353 - C_GB1_7 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 362 - C_GB1_7 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 377 - C_GB1_7 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 379 - C_GB1_7 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 385 - C_GB1_7 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 398 - C_GB1_7 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 407 - C_GB1_7 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 416 - C_GB1_7 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 422 - C_GB1_7 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 424 - C_GB1_7 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 430 - C_GB1_7 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 431 - C_GB1_7 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 432 - C_GB1_7 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 433 - C_GB1_7 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 440 - C_GB1_7 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 442 - C_GB1_7 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 448 - C_GB1_7 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 460 - C_GB1_7 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 462 + C_GB1_7 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 338 + C_GB1_7 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 346 + C_GB1_7 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 352 + C_GB1_7 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 353 + C_GB1_7 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 362 + C_GB1_7 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 377 + C_GB1_7 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 379 + C_GB1_7 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 385 + C_GB1_7 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 398 + C_GB1_7 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 407 + C_GB1_7 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 416 + C_GB1_7 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 422 + C_GB1_7 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 424 + C_GB1_7 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 430 + C_GB1_7 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 431 + C_GB1_7 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 432 + C_GB1_7 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 433 + C_GB1_7 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 440 + C_GB1_7 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 442 + C_GB1_7 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 448 + C_GB1_7 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 460 + C_GB1_7 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 462 C_GB1_7 CA_GB1_54 1 1.784080e-02 2.418881e-04 ; 4.883150e-01 3.289684e-01 6.652067e-01 0.000000e+00 0.004395 0.008482 True md_ensemble 7 65 467 C_GB1_7 CB_GB1_54 1 1.453132e-02 1.634990e-04 ; 4.733710e-01 3.228756e-01 5.911084e-01 9.897562e-05 0.004395 0.001132 True md_ensemble 7 65 468 C_GB1_7 CG1_GB1_54 1 6.652432e-03 4.099687e-05 ; 4.281820e-01 2.698673e-01 2.115656e-01 1.998884e-04 0.004395 0.001132 True md_ensemble 7 65 469 - C_GB1_7 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 470 + C_GB1_7 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 470 C_GB1_7 C_GB1_54 1 8.011266e-03 4.961675e-05 ; 4.285365e-01 3.233806e-01 5.969238e-01 0.000000e+00 0.004395 0.011584 True md_ensemble 7 65 471 C_GB1_7 O_GB1_54 1 1.758892e-03 2.210561e-06 ; 3.285064e-01 3.498774e-01 9.976272e-01 0.000000e+00 0.004395 0.011584 True md_ensemble 7 65 472 C_GB1_7 CA_GB1_55 1 1.242595e-02 1.868822e-04 ; 4.968284e-01 2.065529e-01 6.201056e-02 0.000000e+00 0.004395 0.008482 True md_ensemble 7 65 475 - C_GB1_7 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 476 - C_GB1_7 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 478 - C_GB1_7 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 484 - C_GB1_7 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 485 + C_GB1_7 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 476 + C_GB1_7 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 478 + C_GB1_7 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 484 + C_GB1_7 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 65 485 O_GB1_7 O_GB1_7 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 66 66 O_GB1_7 H_GB1_8 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 66 68 - O_GB1_7 CB_GB1_8 1 0.000000e+00 2.015614e-06 ; 2.986728e-01 -2.015614e-06 9.999981e-01 9.999769e-01 0.004395 0.001132 True md_ensemble 4 66 70 - O_GB1_7 CG_GB1_8 1 0.000000e+00 4.671168e-07 ; 2.644116e-01 -4.671168e-07 8.962392e-01 4.611111e-01 0.004395 0.001132 True md_ensemble 5 66 71 + O_GB1_7 CB_GB1_8 1 0.000000e+00 2.015606e-06 ; 2.986727e-01 -2.015606e-06 9.999981e-01 9.999769e-01 0.004395 0.001132 True md_ensemble 4 66 70 + O_GB1_7 CG_GB1_8 1 0.000000e+00 4.671146e-07 ; 2.644115e-01 -4.671146e-07 8.962392e-01 4.611111e-01 0.004395 0.001132 True md_ensemble 5 66 71 O_GB1_7 OD1_GB1_8 1 0.000000e+00 6.583983e-07 ; 2.720836e-01 -6.583983e-07 9.301981e-01 3.691303e-01 0.004395 0.001132 True md_ensemble 6 66 72 - O_GB1_7 ND2_GB1_8 1 0.000000e+00 7.882045e-07 ; 2.761944e-01 -7.882045e-07 2.696952e-01 2.232934e-01 0.004395 0.001132 True md_ensemble 6 66 73 - O_GB1_7 C_GB1_8 1 0.000000e+00 8.222020e-07 ; 2.771681e-01 -8.222020e-07 1.000000e+00 9.942670e-01 0.004395 0.001132 True md_ensemble 4 66 74 + O_GB1_7 ND2_GB1_8 1 0.000000e+00 7.882097e-07 ; 2.761946e-01 -7.882097e-07 2.696952e-01 2.232934e-01 0.004395 0.001132 True md_ensemble 6 66 73 + O_GB1_7 C_GB1_8 1 0.000000e+00 8.221982e-07 ; 2.771680e-01 -8.221982e-07 1.000000e+00 9.942670e-01 0.004395 0.001132 True md_ensemble 4 66 74 O_GB1_7 O_GB1_8 1 0.000000e+00 2.460088e-06 ; 3.036740e-01 -2.460088e-06 1.642031e-01 8.042615e-01 0.004395 0.001132 True md_ensemble 5 66 75 O_GB1_7 N_GB1_9 1 0.000000e+00 1.322246e-06 ; 2.883618e-01 -1.322246e-06 9.985682e-01 8.800657e-01 0.004395 0.001132 True md_ensemble 5 66 76 - O_GB1_7 H_GB1_9 1 0.000000e+00 9.957433e-09 ; 1.918701e-01 -9.957433e-09 5.542582e-01 1.960025e-01 0.004395 0.001132 True md_ensemble 6 66 77 - O_GB1_7 CA_GB1_9 1 0.000000e+00 2.305662e-06 ; 3.020378e-01 -2.305662e-06 2.137019e-01 3.575785e-01 0.004395 0.001132 True md_ensemble 6 66 78 + O_GB1_7 H_GB1_9 1 0.000000e+00 9.957590e-09 ; 1.918703e-01 -9.957590e-09 5.542582e-01 1.960025e-01 0.004395 0.001132 True md_ensemble 6 66 77 + O_GB1_7 CA_GB1_9 1 0.000000e+00 2.305654e-06 ; 3.020377e-01 -2.305654e-06 2.137019e-01 3.575785e-01 0.004395 0.001132 True md_ensemble 6 66 78 O_GB1_7 O_GB1_9 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 66 80 O_GB1_7 H_GB1_10 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 66 82 O_GB1_7 CB_GB1_10 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.390379e-01 0.004395 0.007862 True md_ensemble 7 66 84 @@ -11773,26 +11773,26 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 O_GB1_7 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 66 488 O_GB1_7 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 66 490 O_GB1_7 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 66 491 - N_GB1_8 CB_GB1_8 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 70 + N_GB1_8 CB_GB1_8 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 70 N_GB1_8 OD1_GB1_8 1 0.000000e+00 1.408288e-06 ; 2.898807e-01 -1.408288e-06 9.988360e-01 9.376948e-01 0.004395 0.001132 True md_ensemble 4 67 72 - N_GB1_8 ND2_GB1_8 1 0.000000e+00 1.470463e-06 ; 2.909262e-01 -1.470463e-06 9.384123e-01 9.138777e-01 0.004395 0.001132 True md_ensemble 4 67 73 - N_GB1_8 CA_GB1_9 1 0.000000e+00 3.567128e-06 ; 3.132239e-01 -3.567128e-06 9.999690e-01 9.703305e-01 0.004395 0.001132 True md_ensemble 4 67 78 + N_GB1_8 ND2_GB1_8 1 0.000000e+00 1.470459e-06 ; 2.909261e-01 -1.470459e-06 9.384123e-01 9.138777e-01 0.004395 0.001132 True md_ensemble 4 67 73 + N_GB1_8 CA_GB1_9 1 0.000000e+00 3.567081e-06 ; 3.132236e-01 -3.567081e-06 9.999690e-01 9.703305e-01 0.004395 0.001132 True md_ensemble 4 67 78 N_GB1_8 C_GB1_9 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 2.333500e-05 4.853105e-02 0.004395 0.001132 True md_ensemble 5 67 79 N_GB1_8 O_GB1_9 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 1.371920e-03 7.293055e-02 0.004395 0.001132 True md_ensemble 6 67 80 N_GB1_8 N_GB1_10 1 0.000000e+00 8.752940e-07 ; 2.786171e-01 -8.752940e-07 0.000000e+00 7.897954e-02 0.004395 0.001132 True md_ensemble 6 67 81 - N_GB1_8 CB_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 84 - N_GB1_8 CG_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 85 - N_GB1_8 CD_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 86 - N_GB1_8 CE_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 87 + N_GB1_8 CB_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 84 + N_GB1_8 CG_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 85 + N_GB1_8 CD_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 86 + N_GB1_8 CE_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 87 N_GB1_8 NZ_GB1_10 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 3.219436e-03 0.004395 0.001132 True md_ensemble 7 67 88 N_GB1_8 N_GB1_11 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 3.251845e-04 0.004395 0.001132 True md_ensemble 7 67 91 - N_GB1_8 CB_GB1_11 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 94 - N_GB1_8 CG2_GB1_11 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 96 + N_GB1_8 CB_GB1_11 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 94 + N_GB1_8 CG2_GB1_11 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 96 N_GB1_8 N_GB1_12 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 99 - N_GB1_8 CB_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 102 - N_GB1_8 CG_GB1_12 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 103 - N_GB1_8 CD1_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 104 - N_GB1_8 CD2_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 105 + N_GB1_8 CB_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 102 + N_GB1_8 CG_GB1_12 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 103 + N_GB1_8 CD1_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 104 + N_GB1_8 CD2_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 105 N_GB1_8 C_GB1_12 1 1.601728e-03 7.774383e-06 ; 4.114776e-01 8.249952e-02 5.599995e-03 0.000000e+00 0.004395 0.011584 True md_ensemble 7 67 106 N_GB1_8 O_GB1_12 1 3.020550e-03 7.002370e-06 ; 3.637976e-01 3.257370e-01 6.248197e-01 6.009939e-04 0.004395 0.011584 True md_ensemble 7 67 107 N_GB1_8 N_GB1_13 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 9.125000e-07 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 108 @@ -11800,137 +11800,137 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 N_GB1_8 CB_GB1_13 1 5.757503e-03 3.485646e-05 ; 4.269151e-01 2.377525e-01 1.135281e-01 3.893679e-04 0.004395 0.001132 True md_ensemble 7 67 111 N_GB1_8 CG_GB1_13 1 6.923082e-03 4.493625e-05 ; 4.318997e-01 2.666504e-01 1.987765e-01 6.860944e-04 0.004395 0.001132 True md_ensemble 7 67 112 N_GB1_8 CD_GB1_13 1 5.087544e-03 3.290585e-05 ; 4.316458e-01 1.966451e-01 5.117557e-02 9.596064e-04 0.004395 0.001132 True md_ensemble 7 67 113 - N_GB1_8 CE_GB1_13 1 0.000000e+00 3.666496e-06 ; 3.139419e-01 -3.666496e-06 4.773250e-03 2.165732e-03 0.004395 0.001132 True md_ensemble 7 67 114 + N_GB1_8 CE_GB1_13 1 0.000000e+00 3.666448e-06 ; 3.139415e-01 -3.666448e-06 4.773250e-03 2.165732e-03 0.004395 0.001132 True md_ensemble 7 67 114 N_GB1_8 NZ_GB1_13 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.198950e-04 6.508484e-04 0.004395 0.001132 True md_ensemble 7 67 115 N_GB1_8 N_GB1_14 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 8.493775e-04 7.082776e-06 0.004395 0.001132 True md_ensemble 7 67 118 - N_GB1_8 CA_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 120 + N_GB1_8 CA_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 120 N_GB1_8 O_GB1_14 1 3.493328e-03 1.688888e-05 ; 4.112068e-01 1.806416e-01 3.752712e-02 1.487669e-04 0.004395 0.011584 True md_ensemble 7 67 122 N_GB1_8 N_GB1_15 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 123 - N_GB1_8 CB_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 126 - N_GB1_8 CG_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 127 + N_GB1_8 CB_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 126 + N_GB1_8 CG_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 127 N_GB1_8 N_GB1_16 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 133 - N_GB1_8 CB_GB1_16 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 136 - N_GB1_8 CG2_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 138 + N_GB1_8 CB_GB1_16 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 136 + N_GB1_8 CG2_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 138 N_GB1_8 N_GB1_17 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 141 - N_GB1_8 CB_GB1_17 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 144 - N_GB1_8 CG2_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 146 + N_GB1_8 CB_GB1_17 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 144 + N_GB1_8 CG2_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 146 N_GB1_8 N_GB1_18 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 149 - N_GB1_8 CB_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 152 - N_GB1_8 CG2_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 154 + N_GB1_8 CB_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 152 + N_GB1_8 CG2_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 154 N_GB1_8 N_GB1_19 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 157 - N_GB1_8 CB_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 160 - N_GB1_8 CG_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 161 + N_GB1_8 CB_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 160 + N_GB1_8 CG_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 161 N_GB1_8 N_GB1_20 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 167 - N_GB1_8 CB_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 170 + N_GB1_8 CB_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 170 N_GB1_8 N_GB1_21 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 173 - N_GB1_8 CB_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 176 - N_GB1_8 CG1_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 177 - N_GB1_8 CG2_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 178 + N_GB1_8 CB_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 176 + N_GB1_8 CG1_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 177 + N_GB1_8 CG2_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 178 N_GB1_8 N_GB1_22 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 181 - N_GB1_8 CB_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 184 + N_GB1_8 CB_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 184 N_GB1_8 N_GB1_23 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 190 - N_GB1_8 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 193 + N_GB1_8 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 193 N_GB1_8 N_GB1_24 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 196 - N_GB1_8 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 199 + N_GB1_8 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 199 N_GB1_8 N_GB1_25 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 202 - N_GB1_8 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 205 - N_GB1_8 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 207 + N_GB1_8 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 205 + N_GB1_8 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 207 N_GB1_8 N_GB1_26 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 210 - N_GB1_8 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 213 + N_GB1_8 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 213 N_GB1_8 N_GB1_27 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 216 - N_GB1_8 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 219 - N_GB1_8 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 220 + N_GB1_8 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 219 + N_GB1_8 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 220 N_GB1_8 N_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 226 - N_GB1_8 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 229 - N_GB1_8 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 230 - N_GB1_8 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 231 - N_GB1_8 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 232 + N_GB1_8 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 229 + N_GB1_8 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 230 + N_GB1_8 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 231 + N_GB1_8 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 232 N_GB1_8 NZ_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 233 N_GB1_8 N_GB1_29 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 236 - N_GB1_8 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 239 - N_GB1_8 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 240 - N_GB1_8 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 241 + N_GB1_8 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 239 + N_GB1_8 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 240 + N_GB1_8 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 241 N_GB1_8 N_GB1_30 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 244 - N_GB1_8 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 247 + N_GB1_8 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 247 N_GB1_8 N_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 256 - N_GB1_8 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 259 - N_GB1_8 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 260 - N_GB1_8 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 261 - N_GB1_8 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 262 + N_GB1_8 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 259 + N_GB1_8 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 260 + N_GB1_8 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 261 + N_GB1_8 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 262 N_GB1_8 NZ_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 263 N_GB1_8 N_GB1_32 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 266 - N_GB1_8 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 269 - N_GB1_8 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 270 + N_GB1_8 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 269 + N_GB1_8 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 270 N_GB1_8 N_GB1_33 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 276 - N_GB1_8 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 279 + N_GB1_8 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 279 N_GB1_8 N_GB1_34 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 289 - N_GB1_8 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 292 + N_GB1_8 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 292 N_GB1_8 N_GB1_35 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 295 - N_GB1_8 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 298 + N_GB1_8 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 298 N_GB1_8 N_GB1_36 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 304 - N_GB1_8 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 307 + N_GB1_8 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 307 N_GB1_8 N_GB1_37 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 313 - N_GB1_8 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 316 + N_GB1_8 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 316 N_GB1_8 N_GB1_38 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 322 - N_GB1_8 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 324 + N_GB1_8 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 324 N_GB1_8 N_GB1_39 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 327 N_GB1_8 CB_GB1_39 1 4.830313e-03 4.645330e-05 ; 4.611479e-01 1.255665e-01 1.290401e-02 9.984502e-05 0.004395 0.001132 True md_ensemble 7 67 330 N_GB1_8 CG1_GB1_39 1 4.188960e-03 1.774777e-05 ; 4.022595e-01 2.471772e-01 1.362826e-01 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 331 N_GB1_8 CG2_GB1_39 1 1.614594e-03 7.314333e-06 ; 4.067728e-01 8.910297e-02 6.364662e-03 9.997005e-05 0.004395 0.001132 True md_ensemble 7 67 332 N_GB1_8 N_GB1_40 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 335 - N_GB1_8 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 338 + N_GB1_8 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 338 N_GB1_8 N_GB1_41 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 344 - N_GB1_8 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 346 + N_GB1_8 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 346 N_GB1_8 N_GB1_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 349 - N_GB1_8 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 352 - N_GB1_8 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 353 + N_GB1_8 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 352 + N_GB1_8 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 353 N_GB1_8 N_GB1_43 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 359 - N_GB1_8 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 362 + N_GB1_8 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 362 N_GB1_8 N_GB1_44 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 374 - N_GB1_8 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 377 - N_GB1_8 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 379 + N_GB1_8 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 377 + N_GB1_8 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 379 N_GB1_8 N_GB1_45 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 382 - N_GB1_8 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 385 + N_GB1_8 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 385 N_GB1_8 N_GB1_46 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 395 - N_GB1_8 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 398 + N_GB1_8 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 398 N_GB1_8 N_GB1_47 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 404 - N_GB1_8 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 407 + N_GB1_8 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 407 N_GB1_8 N_GB1_48 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 413 - N_GB1_8 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 416 + N_GB1_8 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 416 N_GB1_8 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 419 - N_GB1_8 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 422 - N_GB1_8 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 424 + N_GB1_8 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 422 + N_GB1_8 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 424 N_GB1_8 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 427 - N_GB1_8 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 430 - N_GB1_8 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 431 - N_GB1_8 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 432 - N_GB1_8 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 433 + N_GB1_8 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 430 + N_GB1_8 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 431 + N_GB1_8 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 432 + N_GB1_8 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 433 N_GB1_8 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 434 N_GB1_8 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 437 - N_GB1_8 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 440 - N_GB1_8 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 442 + N_GB1_8 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 440 + N_GB1_8 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 442 N_GB1_8 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 445 - N_GB1_8 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 448 + N_GB1_8 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 448 N_GB1_8 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 457 - N_GB1_8 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 460 + N_GB1_8 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 460 N_GB1_8 CG2_GB1_53 1 4.256609e-03 2.531511e-05 ; 4.256500e-01 1.789319e-01 3.630389e-02 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 462 N_GB1_8 N_GB1_54 1 1.592970e-03 5.968621e-06 ; 3.941042e-01 1.062873e-01 8.880400e-03 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 465 N_GB1_8 CA_GB1_54 1 9.939005e-03 7.065476e-05 ; 4.384968e-01 3.495300e-01 9.909312e-01 0.000000e+00 0.004395 0.008482 True md_ensemble 7 67 467 N_GB1_8 CB_GB1_54 1 1.002435e-02 7.491711e-05 ; 4.421682e-01 3.353291e-01 7.524897e-01 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 468 N_GB1_8 CG1_GB1_54 1 4.547362e-03 1.904611e-05 ; 4.014897e-01 2.714269e-01 2.180586e-01 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 469 - N_GB1_8 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 470 + N_GB1_8 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 470 N_GB1_8 C_GB1_54 1 2.758947e-03 5.438846e-06 ; 3.541011e-01 3.498808e-01 9.976915e-01 0.000000e+00 0.004395 0.011584 True md_ensemble 7 67 471 N_GB1_8 O_GB1_54 1 2.943799e-04 6.189973e-08 ; 2.438541e-01 3.499996e-01 9.999913e-01 0.000000e+00 0.004395 0.011584 True md_ensemble 7 67 472 N_GB1_8 N_GB1_55 1 2.330429e-03 9.019158e-06 ; 3.962370e-01 1.505378e-01 2.093786e-02 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 473 N_GB1_8 CA_GB1_55 1 7.294060e-03 3.806428e-05 ; 4.164773e-01 3.494308e-01 9.890272e-01 0.000000e+00 0.004395 0.008482 True md_ensemble 7 67 475 N_GB1_8 CB_GB1_55 1 1.148169e-02 1.158858e-04 ; 4.648763e-01 2.843946e-01 2.803726e-01 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 476 - N_GB1_8 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 478 + N_GB1_8 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 478 N_GB1_8 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 3.377500e-06 0.000000e+00 0.004395 0.001132 True md_ensemble 7 67 481 - N_GB1_8 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 484 - N_GB1_8 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 485 + N_GB1_8 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 484 + N_GB1_8 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 67 485 H_GB1_8 H_GB1_8 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 68 68 - H_GB1_8 OD1_GB1_8 1 0.000000e+00 1.823807e-08 ; 2.017948e-01 -1.823807e-08 9.126715e-03 1.845479e-01 0.004395 0.001132 True md_ensemble 5 68 72 - H_GB1_8 O_GB1_8 1 0.000000e+00 1.545417e-08 ; 1.990286e-01 -1.545417e-08 2.855515e-01 2.815540e-01 0.004395 0.001132 True md_ensemble 4 68 75 + H_GB1_8 OD1_GB1_8 1 0.000000e+00 1.823836e-08 ; 2.017950e-01 -1.823836e-08 9.126715e-03 1.845479e-01 0.004395 0.001132 True md_ensemble 5 68 72 + H_GB1_8 O_GB1_8 1 0.000000e+00 1.545442e-08 ; 1.990289e-01 -1.545442e-08 2.855515e-01 2.815540e-01 0.004395 0.001132 True md_ensemble 4 68 75 H_GB1_8 H_GB1_9 1 0.000000e+00 1.473630e-08 ; 1.982413e-01 -1.473630e-08 2.868817e-01 5.149069e-01 0.004395 0.001132 True md_ensemble 5 68 77 H_GB1_8 O_GB1_9 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 68 80 H_GB1_8 H_GB1_10 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 68 82 @@ -12063,14 +12063,14 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 H_GB1_8 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 68 488 H_GB1_8 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 68 490 H_GB1_8 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 68 491 - CA_GB1_8 C_GB1_9 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 69 79 + CA_GB1_8 C_GB1_9 1 0.000000e+00 1.305180e-05 ; 3.489803e-01 -1.305180e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 69 79 CA_GB1_8 O_GB1_9 1 7.604649e-04 2.051642e-06 ; 3.731102e-01 7.046877e-02 9.996220e-01 2.550536e-01 0.004395 0.001132 True md_ensemble 5 69 80 - CA_GB1_8 N_GB1_10 1 0.000000e+00 1.323183e-05 ; 3.493789e-01 -1.323183e-05 6.432187e-03 7.532094e-01 0.004395 0.001132 True md_ensemble 5 69 81 - CA_GB1_8 CA_GB1_10 1 0.000000e+00 1.118968e-04 ; 4.174103e-01 -1.118968e-04 3.519628e-02 7.420911e-01 0.004395 0.001132 True md_ensemble 6 69 83 + CA_GB1_8 N_GB1_10 1 0.000000e+00 1.323181e-05 ; 3.493788e-01 -1.323181e-05 6.432187e-03 7.532094e-01 0.004395 0.001132 True md_ensemble 5 69 81 + CA_GB1_8 CA_GB1_10 1 0.000000e+00 1.118976e-04 ; 4.174105e-01 -1.118976e-04 3.519628e-02 7.420911e-01 0.004395 0.001132 True md_ensemble 6 69 83 CA_GB1_8 CA_GB1_12 1 2.100212e-02 5.451129e-04 ; 5.441315e-01 2.022924e-01 2.330481e-01 2.643413e-02 0.004395 0.006476 True md_ensemble 7 69 101 CA_GB1_8 CB_GB1_12 1 5.475373e-03 6.993810e-05 ; 4.834854e-01 1.071651e-01 3.952774e-02 3.114212e-02 0.004395 0.007117 True md_ensemble 7 69 102 - CA_GB1_8 CG_GB1_12 1 0.000000e+00 6.705625e-05 ; 3.999739e-01 -6.705625e-05 4.248146e-02 6.537052e-02 0.004395 0.006476 True md_ensemble 7 69 103 - CA_GB1_8 CD1_GB1_12 1 0.000000e+00 2.470883e-05 ; 3.680437e-01 -2.470883e-05 6.876157e-03 4.777794e-02 0.004395 0.010759 True md_ensemble 7 69 104 + CA_GB1_8 CG_GB1_12 1 0.000000e+00 6.705674e-05 ; 3.999741e-01 -6.705674e-05 4.248146e-02 6.537052e-02 0.004395 0.006476 True md_ensemble 7 69 103 + CA_GB1_8 CD1_GB1_12 1 0.000000e+00 2.470882e-05 ; 3.680437e-01 -2.470882e-05 6.876157e-03 4.777794e-02 0.004395 0.010759 True md_ensemble 7 69 104 CA_GB1_8 CD2_GB1_12 1 3.252365e-03 2.846597e-05 ; 4.539637e-01 9.289936e-02 1.508428e-02 2.368912e-02 0.004395 0.010759 True md_ensemble 7 69 105 CA_GB1_8 C_GB1_12 1 1.145721e-02 9.933001e-05 ; 4.532456e-01 3.303826e-01 6.836933e-01 1.916070e-03 0.004395 0.008482 True md_ensemble 7 69 106 CA_GB1_8 O_GB1_12 1 2.369298e-03 4.073012e-06 ; 3.461115e-01 3.445590e-01 8.999079e-01 3.496200e-03 0.004395 0.008483 True md_ensemble 7 69 107 @@ -12105,207 +12105,207 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CA_GB1_8 CA_GB1_56 1 3.853660e-02 1.101676e-03 ; 5.529639e-01 3.370021e-01 7.772923e-01 3.145841e-04 0.004395 0.006476 True md_ensemble 7 69 483 CA_GB1_8 CB_GB1_56 1 2.247867e-02 4.588282e-04 ; 5.227731e-01 2.753157e-01 2.351308e-01 2.953839e-04 0.004395 0.007117 True md_ensemble 7 69 484 CA_GB1_8 CG_GB1_56 1 1.658525e-02 3.685967e-04 ; 5.302389e-01 1.865661e-01 4.209376e-02 3.999474e-04 0.004395 0.007117 True md_ensemble 7 69 485 - CB_GB1_8 CG_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 71 + CB_GB1_8 CG_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 71 CB_GB1_8 OD1_GB1_8 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 72 - CB_GB1_8 ND2_GB1_8 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 73 - CB_GB1_8 C_GB1_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 74 + CB_GB1_8 ND2_GB1_8 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 73 + CB_GB1_8 C_GB1_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 74 CB_GB1_8 O_GB1_8 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 75 - CB_GB1_8 N_GB1_9 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 76 - CB_GB1_8 CA_GB1_9 1 0.000000e+00 1.543901e-05 ; 3.538995e-01 -1.543901e-05 9.999926e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 70 78 - CB_GB1_8 C_GB1_9 1 0.000000e+00 6.696201e-06 ; 3.301014e-01 -6.696201e-06 2.798614e-01 3.370515e-01 0.004395 0.001132 True md_ensemble 5 70 79 - CB_GB1_8 O_GB1_9 1 0.000000e+00 1.748333e-06 ; 2.951529e-01 -1.748333e-06 2.038657e-01 7.124245e-02 0.004395 0.001132 True md_ensemble 6 70 80 - CB_GB1_8 N_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 81 - CB_GB1_8 NZ_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 88 - CB_GB1_8 C_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 89 + CB_GB1_8 N_GB1_9 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 76 + CB_GB1_8 CA_GB1_9 1 0.000000e+00 1.543877e-05 ; 3.538990e-01 -1.543877e-05 9.999926e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 70 78 + CB_GB1_8 C_GB1_9 1 0.000000e+00 6.696088e-06 ; 3.301009e-01 -6.696088e-06 2.798614e-01 3.370515e-01 0.004395 0.001132 True md_ensemble 5 70 79 + CB_GB1_8 O_GB1_9 1 0.000000e+00 1.748327e-06 ; 2.951528e-01 -1.748327e-06 2.038657e-01 7.124245e-02 0.004395 0.001132 True md_ensemble 6 70 80 + CB_GB1_8 N_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 81 + CB_GB1_8 NZ_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 88 + CB_GB1_8 C_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 89 CB_GB1_8 O_GB1_10 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.754237e-02 0.004395 0.007862 True md_ensemble 7 70 90 - CB_GB1_8 N_GB1_11 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 91 - CB_GB1_8 OG1_GB1_11 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 95 - CB_GB1_8 C_GB1_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 97 + CB_GB1_8 N_GB1_11 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 91 + CB_GB1_8 OG1_GB1_11 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 95 + CB_GB1_8 C_GB1_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 97 CB_GB1_8 O_GB1_11 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.278600e-02 0.004395 0.007862 True md_ensemble 7 70 98 - CB_GB1_8 N_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 99 - CB_GB1_8 C_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 106 + CB_GB1_8 N_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 99 + CB_GB1_8 C_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 106 CB_GB1_8 O_GB1_12 1 2.730412e-03 1.012338e-05 ; 3.934137e-01 1.841073e-01 4.013466e-02 3.470194e-03 0.004395 0.007862 True md_ensemble 7 70 107 - CB_GB1_8 N_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 108 + CB_GB1_8 N_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 108 CB_GB1_8 CA_GB1_13 1 1.932641e-02 3.042063e-04 ; 5.006138e-01 3.069547e-01 4.842481e-01 7.937627e-03 0.004395 0.007117 True md_ensemble 7 70 110 CB_GB1_8 CB_GB1_13 1 1.198604e-02 1.264012e-04 ; 4.682875e-01 2.841449e-01 2.790189e-01 7.105626e-03 0.004395 0.007860 True md_ensemble 7 70 111 CB_GB1_8 CG_GB1_13 1 8.509801e-03 5.762835e-05 ; 4.349635e-01 3.141540e-01 5.549531e-01 8.738476e-03 0.004395 0.007860 True md_ensemble 7 70 112 CB_GB1_8 CD_GB1_13 1 6.417538e-03 3.432787e-05 ; 4.181959e-01 2.999369e-01 4.947758e-01 1.026283e-02 0.004395 0.007860 True md_ensemble 7 70 113 CB_GB1_8 CE_GB1_13 1 6.116301e-03 3.371251e-05 ; 4.202913e-01 2.774129e-01 4.127533e-01 1.324818e-02 0.004395 0.007860 True md_ensemble 7 70 114 CB_GB1_8 NZ_GB1_13 1 2.835411e-03 1.183806e-05 ; 4.012768e-01 1.697820e-01 1.885740e-01 7.018776e-03 0.004395 0.001132 True md_ensemble 7 70 115 - CB_GB1_8 C_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 116 + CB_GB1_8 C_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 116 CB_GB1_8 O_GB1_13 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.519347e-03 0.004395 0.007862 True md_ensemble 7 70 117 - CB_GB1_8 N_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 118 - CB_GB1_8 C_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 121 + CB_GB1_8 N_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 118 + CB_GB1_8 C_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 121 CB_GB1_8 O_GB1_14 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.380348e-03 0.004395 0.007862 True md_ensemble 7 70 122 - CB_GB1_8 N_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 123 - CB_GB1_8 CD_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 128 - CB_GB1_8 OE1_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 129 - CB_GB1_8 OE2_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 130 - CB_GB1_8 C_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 131 + CB_GB1_8 N_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 123 + CB_GB1_8 CD_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 128 + CB_GB1_8 OE1_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 129 + CB_GB1_8 OE2_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 130 + CB_GB1_8 C_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 131 CB_GB1_8 O_GB1_15 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 8.060395e-04 0.004395 0.007862 True md_ensemble 7 70 132 - CB_GB1_8 N_GB1_16 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 133 - CB_GB1_8 OG1_GB1_16 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 137 - CB_GB1_8 C_GB1_16 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 139 + CB_GB1_8 N_GB1_16 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 133 + CB_GB1_8 OG1_GB1_16 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 137 + CB_GB1_8 C_GB1_16 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 139 CB_GB1_8 O_GB1_16 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.000245e-04 0.004395 0.007862 True md_ensemble 7 70 140 - CB_GB1_8 N_GB1_17 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 141 - CB_GB1_8 OG1_GB1_17 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 145 - CB_GB1_8 C_GB1_17 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 147 + CB_GB1_8 N_GB1_17 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 141 + CB_GB1_8 OG1_GB1_17 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 145 + CB_GB1_8 C_GB1_17 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 147 CB_GB1_8 O_GB1_17 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.096382e-04 0.004395 0.007862 True md_ensemble 7 70 148 - CB_GB1_8 N_GB1_18 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 149 - CB_GB1_8 OG1_GB1_18 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 153 - CB_GB1_8 C_GB1_18 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 155 + CB_GB1_8 N_GB1_18 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 149 + CB_GB1_8 OG1_GB1_18 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 153 + CB_GB1_8 C_GB1_18 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 155 CB_GB1_8 O_GB1_18 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.017787e-04 0.004395 0.007862 True md_ensemble 7 70 156 - CB_GB1_8 N_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 157 - CB_GB1_8 CD_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 162 - CB_GB1_8 OE1_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 163 - CB_GB1_8 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 164 - CB_GB1_8 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 165 + CB_GB1_8 N_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 157 + CB_GB1_8 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 162 + CB_GB1_8 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 163 + CB_GB1_8 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 164 + CB_GB1_8 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 165 CB_GB1_8 O_GB1_19 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.386302e-04 0.004395 0.007862 True md_ensemble 7 70 166 - CB_GB1_8 N_GB1_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 167 - CB_GB1_8 C_GB1_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 171 + CB_GB1_8 N_GB1_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 167 + CB_GB1_8 C_GB1_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 171 CB_GB1_8 O_GB1_20 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.015019e-04 0.004395 0.007862 True md_ensemble 7 70 172 - CB_GB1_8 N_GB1_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 173 - CB_GB1_8 C_GB1_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 179 + CB_GB1_8 N_GB1_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 173 + CB_GB1_8 C_GB1_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 179 CB_GB1_8 O_GB1_21 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.291973e-04 0.004395 0.007862 True md_ensemble 7 70 180 - CB_GB1_8 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 181 - CB_GB1_8 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 185 - CB_GB1_8 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 186 - CB_GB1_8 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 187 - CB_GB1_8 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 188 + CB_GB1_8 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 181 + CB_GB1_8 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 185 + CB_GB1_8 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 186 + CB_GB1_8 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 187 + CB_GB1_8 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 188 CB_GB1_8 O_GB1_22 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 70 189 - CB_GB1_8 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 190 - CB_GB1_8 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 194 + CB_GB1_8 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 190 + CB_GB1_8 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 194 CB_GB1_8 O_GB1_23 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.220681e-04 0.004395 0.007862 True md_ensemble 7 70 195 - CB_GB1_8 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 196 - CB_GB1_8 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 200 + CB_GB1_8 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 196 + CB_GB1_8 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 200 CB_GB1_8 O_GB1_24 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.993258e-05 0.004395 0.007862 True md_ensemble 7 70 201 - CB_GB1_8 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 202 - CB_GB1_8 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 206 - CB_GB1_8 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 208 + CB_GB1_8 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 202 + CB_GB1_8 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 206 + CB_GB1_8 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 208 CB_GB1_8 O_GB1_25 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.995578e-05 0.004395 0.007862 True md_ensemble 7 70 209 - CB_GB1_8 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 210 - CB_GB1_8 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 214 + CB_GB1_8 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 210 + CB_GB1_8 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 214 CB_GB1_8 O_GB1_26 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.998690e-04 0.004395 0.007862 True md_ensemble 7 70 215 - CB_GB1_8 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 216 - CB_GB1_8 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 221 - CB_GB1_8 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 222 - CB_GB1_8 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 223 - CB_GB1_8 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 224 + CB_GB1_8 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 216 + CB_GB1_8 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 221 + CB_GB1_8 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 222 + CB_GB1_8 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 223 + CB_GB1_8 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 224 CB_GB1_8 O_GB1_27 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000024e-04 0.004395 0.007862 True md_ensemble 7 70 225 - CB_GB1_8 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 226 - CB_GB1_8 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 233 - CB_GB1_8 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 234 + CB_GB1_8 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 226 + CB_GB1_8 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 233 + CB_GB1_8 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 234 CB_GB1_8 O_GB1_28 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000118e-04 0.004395 0.007862 True md_ensemble 7 70 235 - CB_GB1_8 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 236 - CB_GB1_8 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 242 + CB_GB1_8 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 236 + CB_GB1_8 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 242 CB_GB1_8 O_GB1_29 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 70 243 - CB_GB1_8 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 244 - CB_GB1_8 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 254 + CB_GB1_8 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 244 + CB_GB1_8 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 254 CB_GB1_8 O_GB1_30 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.075514e-05 0.004395 0.007862 True md_ensemble 7 70 255 - CB_GB1_8 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 256 - CB_GB1_8 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 263 - CB_GB1_8 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 264 + CB_GB1_8 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 256 + CB_GB1_8 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 263 + CB_GB1_8 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 264 CB_GB1_8 O_GB1_31 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.999738e-04 0.004395 0.007862 True md_ensemble 7 70 265 - CB_GB1_8 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 266 - CB_GB1_8 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 271 + CB_GB1_8 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 266 + CB_GB1_8 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 271 CB_GB1_8 OE1_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.925974e-04 0.004395 0.007862 True md_ensemble 7 70 272 - CB_GB1_8 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 273 - CB_GB1_8 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 274 + CB_GB1_8 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 273 + CB_GB1_8 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 274 CB_GB1_8 O_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.044657e-05 0.004395 0.007862 True md_ensemble 7 70 275 - CB_GB1_8 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 276 - CB_GB1_8 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 286 - CB_GB1_8 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 287 + CB_GB1_8 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 276 + CB_GB1_8 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 286 + CB_GB1_8 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 287 CB_GB1_8 O_GB1_33 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 70 288 - CB_GB1_8 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 289 - CB_GB1_8 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 293 + CB_GB1_8 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 289 + CB_GB1_8 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 293 CB_GB1_8 O_GB1_34 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.998243e-04 0.004395 0.007862 True md_ensemble 7 70 294 - CB_GB1_8 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 295 - CB_GB1_8 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 299 + CB_GB1_8 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 295 + CB_GB1_8 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 299 CB_GB1_8 OD1_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.334958e-04 0.004395 0.007862 True md_ensemble 7 70 300 - CB_GB1_8 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 301 - CB_GB1_8 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 302 + CB_GB1_8 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 301 + CB_GB1_8 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 302 CB_GB1_8 O_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.215496e-05 0.004395 0.007862 True md_ensemble 7 70 303 - CB_GB1_8 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 304 - CB_GB1_8 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 308 - CB_GB1_8 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 309 - CB_GB1_8 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 310 - CB_GB1_8 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 311 + CB_GB1_8 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 304 + CB_GB1_8 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 308 + CB_GB1_8 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 309 + CB_GB1_8 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 310 + CB_GB1_8 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 311 CB_GB1_8 O_GB1_36 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000348e-04 0.004395 0.007862 True md_ensemble 7 70 312 - CB_GB1_8 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 313 - CB_GB1_8 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 317 + CB_GB1_8 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 313 + CB_GB1_8 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 317 CB_GB1_8 OD1_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.916102e-04 0.004395 0.007862 True md_ensemble 7 70 318 - CB_GB1_8 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 319 - CB_GB1_8 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 320 + CB_GB1_8 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 319 + CB_GB1_8 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 320 CB_GB1_8 O_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.998783e-04 0.004395 0.007862 True md_ensemble 7 70 321 - CB_GB1_8 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 322 - CB_GB1_8 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 325 + CB_GB1_8 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 322 + CB_GB1_8 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 325 CB_GB1_8 O_GB1_38 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.996963e-05 0.004395 0.007862 True md_ensemble 7 70 326 - CB_GB1_8 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 327 - CB_GB1_8 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 333 + CB_GB1_8 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 327 + CB_GB1_8 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 333 CB_GB1_8 O_GB1_39 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.777287e-05 0.004395 0.007862 True md_ensemble 7 70 334 - CB_GB1_8 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 335 - CB_GB1_8 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 339 - CB_GB1_8 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 340 - CB_GB1_8 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 341 - CB_GB1_8 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 342 + CB_GB1_8 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 335 + CB_GB1_8 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 339 + CB_GB1_8 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 340 + CB_GB1_8 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 341 + CB_GB1_8 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 342 CB_GB1_8 O_GB1_40 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.992236e-05 0.004395 0.007862 True md_ensemble 7 70 343 - CB_GB1_8 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 344 - CB_GB1_8 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 347 + CB_GB1_8 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 344 + CB_GB1_8 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 347 CB_GB1_8 O_GB1_41 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.942817e-05 0.004395 0.007862 True md_ensemble 7 70 348 - CB_GB1_8 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 349 - CB_GB1_8 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 354 - CB_GB1_8 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 355 - CB_GB1_8 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 356 - CB_GB1_8 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 357 + CB_GB1_8 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 349 + CB_GB1_8 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 354 + CB_GB1_8 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 355 + CB_GB1_8 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 356 + CB_GB1_8 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 357 CB_GB1_8 O_GB1_42 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 70 358 - CB_GB1_8 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 359 - CB_GB1_8 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 366 - CB_GB1_8 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 372 + CB_GB1_8 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 359 + CB_GB1_8 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 366 + CB_GB1_8 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 372 CB_GB1_8 O_GB1_43 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.089565e-04 0.004395 0.007862 True md_ensemble 7 70 373 - CB_GB1_8 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 374 - CB_GB1_8 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 378 - CB_GB1_8 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 380 + CB_GB1_8 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 374 + CB_GB1_8 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 378 + CB_GB1_8 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 380 CB_GB1_8 O_GB1_44 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.001056e-04 0.004395 0.007862 True md_ensemble 7 70 381 - CB_GB1_8 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 382 - CB_GB1_8 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 392 - CB_GB1_8 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 393 + CB_GB1_8 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 382 + CB_GB1_8 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 392 + CB_GB1_8 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 393 CB_GB1_8 O_GB1_45 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 70 394 - CB_GB1_8 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 395 - CB_GB1_8 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 399 - CB_GB1_8 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 400 - CB_GB1_8 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 401 - CB_GB1_8 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 402 + CB_GB1_8 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 395 + CB_GB1_8 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 399 + CB_GB1_8 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 400 + CB_GB1_8 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 401 + CB_GB1_8 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 402 CB_GB1_8 O_GB1_46 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 70 403 - CB_GB1_8 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 404 - CB_GB1_8 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 408 - CB_GB1_8 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 409 - CB_GB1_8 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 410 - CB_GB1_8 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 411 + CB_GB1_8 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 404 + CB_GB1_8 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 408 + CB_GB1_8 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 409 + CB_GB1_8 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 410 + CB_GB1_8 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 411 CB_GB1_8 O_GB1_47 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.994878e-05 0.004395 0.007862 True md_ensemble 7 70 412 - CB_GB1_8 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 413 - CB_GB1_8 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 417 + CB_GB1_8 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 413 + CB_GB1_8 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 417 CB_GB1_8 O_GB1_48 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.162297e-05 0.004395 0.007862 True md_ensemble 7 70 418 - CB_GB1_8 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 419 - CB_GB1_8 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 423 - CB_GB1_8 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 425 + CB_GB1_8 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 419 + CB_GB1_8 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 423 + CB_GB1_8 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 425 CB_GB1_8 O_GB1_49 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 70 426 - CB_GB1_8 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 427 - CB_GB1_8 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 434 - CB_GB1_8 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 435 + CB_GB1_8 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 427 + CB_GB1_8 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 434 + CB_GB1_8 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 435 CB_GB1_8 O_GB1_50 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 70 436 - CB_GB1_8 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 437 - CB_GB1_8 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 441 - CB_GB1_8 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 443 + CB_GB1_8 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 437 + CB_GB1_8 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 441 + CB_GB1_8 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 443 CB_GB1_8 O_GB1_51 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.314781e-05 0.004395 0.007862 True md_ensemble 7 70 444 - CB_GB1_8 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 445 - CB_GB1_8 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 455 + CB_GB1_8 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 445 + CB_GB1_8 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 455 CB_GB1_8 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 70 456 - CB_GB1_8 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 457 + CB_GB1_8 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 457 CB_GB1_8 CA_GB1_53 1 1.115503e-02 2.139439e-04 ; 5.173743e-01 1.454058e-01 1.895533e-02 0.000000e+00 0.004395 0.007117 True md_ensemble 7 70 459 CB_GB1_8 CB_GB1_53 1 1.536151e-02 2.725924e-04 ; 5.107166e-01 2.164184e-01 7.507807e-02 2.997912e-04 0.004395 0.007117 True md_ensemble 7 70 460 - CB_GB1_8 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 461 + CB_GB1_8 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 461 CB_GB1_8 CG2_GB1_53 1 5.805395e-03 2.577725e-05 ; 4.054159e-01 3.268638e-01 6.386168e-01 1.999637e-04 0.004395 0.012151 True md_ensemble 7 70 462 - CB_GB1_8 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 463 + CB_GB1_8 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 463 CB_GB1_8 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.775568e-05 0.004395 0.007862 True md_ensemble 7 70 464 CB_GB1_8 N_GB1_54 1 3.005121e-03 1.846928e-05 ; 4.279877e-01 1.222402e-01 1.209828e-02 0.000000e+00 0.004395 0.001132 True md_ensemble 7 70 465 CB_GB1_8 CA_GB1_54 1 2.409502e-02 4.269349e-04 ; 5.105901e-01 3.399641e-01 8.232241e-01 7.759382e-05 0.004395 0.007117 True md_ensemble 7 70 467 @@ -12322,121 +12322,121 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CB_GB1_8 N_GB1_56 1 7.981288e-03 5.024620e-05 ; 4.297063e-01 3.169441e-01 5.269101e-01 0.000000e+00 0.004395 0.001132 True md_ensemble 7 70 481 CB_GB1_8 CA_GB1_56 1 2.389309e-02 5.191508e-04 ; 5.282468e-01 2.749102e-01 2.332901e-01 4.629876e-04 0.004395 0.007117 True md_ensemble 7 70 483 CB_GB1_8 CB_GB1_56 1 4.010512e-03 4.083211e-05 ; 4.655507e-01 9.847770e-02 7.632935e-03 2.555875e-04 0.004395 0.007860 True md_ensemble 7 70 484 - CB_GB1_8 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 486 - CB_GB1_8 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 487 - CB_GB1_8 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 488 - CB_GB1_8 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 489 - CB_GB1_8 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 490 - CB_GB1_8 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 491 - CG_GB1_8 O_GB1_8 1 0.000000e+00 5.556308e-07 ; 2.682628e-01 -5.556308e-07 9.871548e-01 6.590643e-01 0.004395 0.001132 True md_ensemble 4 71 75 - CG_GB1_8 N_GB1_9 1 0.000000e+00 2.288530e-06 ; 3.018501e-01 -2.288530e-06 1.360470e-01 6.534902e-01 0.004395 0.001132 True md_ensemble 4 71 76 - CG_GB1_8 CA_GB1_9 1 0.000000e+00 7.602606e-06 ; 3.336122e-01 -7.602606e-06 3.229192e-02 2.325844e-01 0.004395 0.001132 True md_ensemble 5 71 78 + CB_GB1_8 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 486 + CB_GB1_8 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 487 + CB_GB1_8 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 488 + CB_GB1_8 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 489 + CB_GB1_8 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 490 + CB_GB1_8 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 70 491 + CG_GB1_8 O_GB1_8 1 0.000000e+00 5.556282e-07 ; 2.682627e-01 -5.556282e-07 9.871548e-01 6.590643e-01 0.004395 0.001132 True md_ensemble 4 71 75 + CG_GB1_8 N_GB1_9 1 0.000000e+00 2.288498e-06 ; 3.018498e-01 -2.288498e-06 1.360470e-01 6.534902e-01 0.004395 0.001132 True md_ensemble 4 71 76 + CG_GB1_8 CA_GB1_9 1 0.000000e+00 7.602478e-06 ; 3.336117e-01 -7.602478e-06 3.229192e-02 2.325844e-01 0.004395 0.001132 True md_ensemble 5 71 78 CG_GB1_8 C_GB1_9 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 3.424760e-03 3.538886e-02 0.004395 0.001132 True md_ensemble 6 71 79 CG_GB1_8 O_GB1_9 1 9.242112e-04 2.177952e-06 ; 3.647927e-01 9.804696e-02 1.252218e-02 1.916335e-02 0.004395 0.011584 True md_ensemble 7 71 80 - CG_GB1_8 CB_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 84 - CG_GB1_8 CG_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 85 - CG_GB1_8 CD_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 86 - CG_GB1_8 CE_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 87 - CG_GB1_8 CB_GB1_11 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 94 - CG_GB1_8 CG2_GB1_11 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 96 - CG_GB1_8 CB_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 102 - CG_GB1_8 CG_GB1_12 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 103 - CG_GB1_8 CD1_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 104 - CG_GB1_8 CD2_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 105 + CG_GB1_8 CB_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 84 + CG_GB1_8 CG_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 85 + CG_GB1_8 CD_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 86 + CG_GB1_8 CE_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 87 + CG_GB1_8 CB_GB1_11 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 94 + CG_GB1_8 CG2_GB1_11 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 96 + CG_GB1_8 CB_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 102 + CG_GB1_8 CG_GB1_12 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 103 + CG_GB1_8 CD1_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 104 + CG_GB1_8 CD2_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 105 CG_GB1_8 CA_GB1_13 1 8.813831e-03 8.175281e-05 ; 4.583772e-01 2.375564e-01 1.130974e-01 4.967304e-03 0.004395 0.008482 True md_ensemble 7 71 110 CG_GB1_8 CB_GB1_13 1 3.969733e-03 2.471543e-05 ; 4.289116e-01 1.594023e-01 9.677074e-02 4.404531e-03 0.004395 0.001132 True md_ensemble 7 71 111 CG_GB1_8 CG_GB1_13 1 3.848103e-03 1.800126e-05 ; 4.089555e-01 2.056509e-01 3.175829e-01 5.897843e-03 0.004395 0.001132 True md_ensemble 7 71 112 CG_GB1_8 CD_GB1_13 1 3.417342e-03 1.504220e-05 ; 4.048279e-01 1.940911e-01 3.731768e-01 8.670835e-03 0.004395 0.001132 True md_ensemble 7 71 113 CG_GB1_8 CE_GB1_13 1 2.846177e-03 1.117185e-05 ; 3.971707e-01 1.812754e-01 3.649650e-01 1.087124e-02 0.004395 0.001132 True md_ensemble 7 71 114 CG_GB1_8 NZ_GB1_13 1 1.396733e-03 1.844342e-06 ; 3.312237e-01 2.644388e-01 1.904355e-01 6.905261e-03 0.004395 0.011584 True md_ensemble 7 71 115 - CG_GB1_8 CA_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 120 - CG_GB1_8 CB_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 126 - CG_GB1_8 CG_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 127 - CG_GB1_8 CB_GB1_16 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 136 - CG_GB1_8 CG2_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 138 - CG_GB1_8 CB_GB1_17 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 144 - CG_GB1_8 CG2_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 146 - CG_GB1_8 CB_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 152 - CG_GB1_8 CG2_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 154 - CG_GB1_8 CB_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 160 - CG_GB1_8 CG_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 161 - CG_GB1_8 CB_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 170 - CG_GB1_8 CB_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 176 - CG_GB1_8 CG1_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 177 - CG_GB1_8 CG2_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 178 - CG_GB1_8 CB_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 184 - CG_GB1_8 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 193 - CG_GB1_8 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 199 - CG_GB1_8 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 205 - CG_GB1_8 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 207 - CG_GB1_8 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 213 - CG_GB1_8 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 219 - CG_GB1_8 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 220 - CG_GB1_8 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 229 - CG_GB1_8 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 230 - CG_GB1_8 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 231 - CG_GB1_8 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 232 - CG_GB1_8 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 239 - CG_GB1_8 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 240 - CG_GB1_8 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 241 - CG_GB1_8 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 247 - CG_GB1_8 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 259 - CG_GB1_8 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 260 - CG_GB1_8 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 261 - CG_GB1_8 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 262 - CG_GB1_8 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 269 - CG_GB1_8 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 270 - CG_GB1_8 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 279 - CG_GB1_8 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 292 - CG_GB1_8 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 298 - CG_GB1_8 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 307 - CG_GB1_8 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 316 - CG_GB1_8 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 324 - CG_GB1_8 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 330 - CG_GB1_8 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 331 - CG_GB1_8 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 332 - CG_GB1_8 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 338 - CG_GB1_8 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 346 - CG_GB1_8 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 352 - CG_GB1_8 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 353 - CG_GB1_8 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 362 - CG_GB1_8 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 377 - CG_GB1_8 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 379 - CG_GB1_8 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 385 - CG_GB1_8 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 398 - CG_GB1_8 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 407 - CG_GB1_8 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 416 - CG_GB1_8 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 422 - CG_GB1_8 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 424 - CG_GB1_8 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 430 - CG_GB1_8 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 431 - CG_GB1_8 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 432 - CG_GB1_8 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 433 - CG_GB1_8 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 440 - CG_GB1_8 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 442 - CG_GB1_8 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 448 + CG_GB1_8 CA_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 120 + CG_GB1_8 CB_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 126 + CG_GB1_8 CG_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 127 + CG_GB1_8 CB_GB1_16 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 136 + CG_GB1_8 CG2_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 138 + CG_GB1_8 CB_GB1_17 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 144 + CG_GB1_8 CG2_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 146 + CG_GB1_8 CB_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 152 + CG_GB1_8 CG2_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 154 + CG_GB1_8 CB_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 160 + CG_GB1_8 CG_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 161 + CG_GB1_8 CB_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 170 + CG_GB1_8 CB_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 176 + CG_GB1_8 CG1_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 177 + CG_GB1_8 CG2_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 178 + CG_GB1_8 CB_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 184 + CG_GB1_8 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 193 + CG_GB1_8 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 199 + CG_GB1_8 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 205 + CG_GB1_8 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 207 + CG_GB1_8 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 213 + CG_GB1_8 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 219 + CG_GB1_8 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 220 + CG_GB1_8 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 229 + CG_GB1_8 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 230 + CG_GB1_8 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 231 + CG_GB1_8 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 232 + CG_GB1_8 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 239 + CG_GB1_8 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 240 + CG_GB1_8 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 241 + CG_GB1_8 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 247 + CG_GB1_8 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 259 + CG_GB1_8 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 260 + CG_GB1_8 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 261 + CG_GB1_8 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 262 + CG_GB1_8 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 269 + CG_GB1_8 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 270 + CG_GB1_8 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 279 + CG_GB1_8 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 292 + CG_GB1_8 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 298 + CG_GB1_8 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 307 + CG_GB1_8 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 316 + CG_GB1_8 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 324 + CG_GB1_8 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 330 + CG_GB1_8 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 331 + CG_GB1_8 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 332 + CG_GB1_8 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 338 + CG_GB1_8 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 346 + CG_GB1_8 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 352 + CG_GB1_8 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 353 + CG_GB1_8 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 362 + CG_GB1_8 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 377 + CG_GB1_8 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 379 + CG_GB1_8 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 385 + CG_GB1_8 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 398 + CG_GB1_8 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 407 + CG_GB1_8 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 416 + CG_GB1_8 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 422 + CG_GB1_8 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 424 + CG_GB1_8 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 430 + CG_GB1_8 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 431 + CG_GB1_8 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 432 + CG_GB1_8 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 433 + CG_GB1_8 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 440 + CG_GB1_8 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 442 + CG_GB1_8 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 448 CG_GB1_8 CB_GB1_53 1 9.580562e-03 1.155197e-04 ; 4.788625e-01 1.986396e-01 5.319273e-02 2.863672e-04 0.004395 0.001132 True md_ensemble 7 71 460 CG_GB1_8 OG1_GB1_53 1 1.224343e-03 3.023275e-06 ; 3.676454e-01 1.239562e-01 1.250745e-02 0.000000e+00 0.004395 0.011584 True md_ensemble 7 71 461 CG_GB1_8 CG2_GB1_53 1 5.037387e-03 1.889354e-05 ; 3.941710e-01 3.357664e-01 7.588955e-01 9.987073e-05 0.004395 0.001132 True md_ensemble 7 71 462 CG_GB1_8 CA_GB1_54 1 1.004226e-02 1.406688e-04 ; 4.909770e-01 1.792275e-01 3.651247e-02 9.998946e-05 0.004395 0.008482 True md_ensemble 7 71 467 - CG_GB1_8 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 468 - CG_GB1_8 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 469 - CG_GB1_8 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 470 + CG_GB1_8 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 468 + CG_GB1_8 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 469 + CG_GB1_8 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 470 CG_GB1_8 C_GB1_54 1 6.108404e-03 3.445239e-05 ; 4.219056e-01 2.707548e-01 2.152365e-01 0.000000e+00 0.004395 0.011584 True md_ensemble 7 71 471 CG_GB1_8 O_GB1_54 1 2.025297e-03 3.149350e-06 ; 3.403732e-01 3.256092e-01 6.232733e-01 0.000000e+00 0.004395 0.011584 True md_ensemble 7 71 472 CG_GB1_8 CA_GB1_55 1 1.044684e-02 7.890507e-05 ; 4.429486e-01 3.457840e-01 9.215300e-01 1.216926e-05 0.004395 0.008482 True md_ensemble 7 71 475 CG_GB1_8 CB_GB1_55 1 9.189577e-03 6.165509e-05 ; 4.342891e-01 3.424224e-01 8.633995e-01 1.297412e-04 0.004395 0.001132 True md_ensemble 7 71 476 CG_GB1_8 OG1_GB1_55 1 2.226475e-03 3.786179e-06 ; 3.454861e-01 3.273216e-01 6.443086e-01 0.000000e+00 0.004395 0.011584 True md_ensemble 7 71 477 CG_GB1_8 CG2_GB1_55 1 5.891297e-03 2.664772e-05 ; 4.066694e-01 3.256130e-01 6.233199e-01 1.057444e-04 0.004395 0.001132 True md_ensemble 7 71 478 - CG_GB1_8 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 484 - CG_GB1_8 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 485 + CG_GB1_8 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 484 + CG_GB1_8 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 71 485 OD1_GB1_8 OD1_GB1_8 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 72 72 - OD1_GB1_8 C_GB1_8 1 0.000000e+00 6.533674e-07 ; 2.719098e-01 -6.533674e-07 7.831354e-01 5.732352e-01 0.004395 0.001132 True md_ensemble 4 72 74 + OD1_GB1_8 C_GB1_8 1 0.000000e+00 6.533644e-07 ; 2.719097e-01 -6.533644e-07 7.831354e-01 5.732352e-01 0.004395 0.001132 True md_ensemble 4 72 74 OD1_GB1_8 O_GB1_8 1 0.000000e+00 1.756565e-06 ; 2.952684e-01 -1.756565e-06 1.858064e-01 3.568494e-01 0.004395 0.001132 True md_ensemble 5 72 75 OD1_GB1_8 N_GB1_9 1 0.000000e+00 1.801173e-06 ; 2.958861e-01 -1.801173e-06 7.627233e-02 2.770540e-01 0.004395 0.001132 True md_ensemble 5 72 76 OD1_GB1_8 H_GB1_9 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 72 77 - OD1_GB1_8 CA_GB1_9 1 0.000000e+00 2.194490e-06 ; 3.007965e-01 -2.194490e-06 1.350384e-02 1.022264e-01 0.004395 0.001132 True md_ensemble 6 72 78 - OD1_GB1_8 C_GB1_9 1 0.000000e+00 8.417780e-07 ; 2.777121e-01 -8.417780e-07 8.282707e-03 2.622247e-02 0.004395 0.011584 True md_ensemble 7 72 79 + OD1_GB1_8 CA_GB1_9 1 0.000000e+00 2.194482e-06 ; 3.007964e-01 -2.194482e-06 1.350384e-02 1.022264e-01 0.004395 0.001132 True md_ensemble 6 72 78 + OD1_GB1_8 C_GB1_9 1 0.000000e+00 8.417741e-07 ; 2.777120e-01 -8.417741e-07 8.282707e-03 2.622247e-02 0.004395 0.011584 True md_ensemble 7 72 79 OD1_GB1_8 O_GB1_9 1 0.000000e+00 1.446935e-06 ; 2.905354e-01 -1.446935e-06 6.046452e-02 2.508818e-02 0.004395 0.001132 True md_ensemble 7 72 80 OD1_GB1_8 H_GB1_10 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 72 82 OD1_GB1_8 CB_GB1_10 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.619515e-02 0.004395 0.007862 True md_ensemble 7 72 84 @@ -12651,92 +12651,92 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 OD1_GB1_8 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 72 488 OD1_GB1_8 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 72 490 OD1_GB1_8 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 72 491 - ND2_GB1_8 C_GB1_8 1 0.000000e+00 2.709548e-06 ; 3.061280e-01 -2.709548e-06 8.814682e-01 9.246607e-01 0.004395 0.001132 True md_ensemble 4 73 74 - ND2_GB1_8 O_GB1_8 1 0.000000e+00 9.551943e-07 ; 2.806528e-01 -9.551943e-07 8.466804e-02 2.402965e-01 0.004395 0.001132 True md_ensemble 5 73 75 - ND2_GB1_8 N_GB1_9 1 0.000000e+00 1.872658e-06 ; 2.968474e-01 -1.872658e-06 4.679615e-03 2.469506e-01 0.004395 0.001132 True md_ensemble 5 73 76 - ND2_GB1_8 CA_GB1_9 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 78 - ND2_GB1_8 CB_GB1_10 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 84 - ND2_GB1_8 CG_GB1_10 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 85 - ND2_GB1_8 CD_GB1_10 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 86 - ND2_GB1_8 CE_GB1_10 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 87 - ND2_GB1_8 CB_GB1_11 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 94 - ND2_GB1_8 CG2_GB1_11 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 96 - ND2_GB1_8 CB_GB1_12 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 102 - ND2_GB1_8 CG_GB1_12 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 103 - ND2_GB1_8 CD1_GB1_12 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 104 - ND2_GB1_8 CD2_GB1_12 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 105 + ND2_GB1_8 C_GB1_8 1 0.000000e+00 2.709531e-06 ; 3.061278e-01 -2.709531e-06 8.814682e-01 9.246607e-01 0.004395 0.001132 True md_ensemble 4 73 74 + ND2_GB1_8 O_GB1_8 1 0.000000e+00 9.552006e-07 ; 2.806529e-01 -9.552006e-07 8.466804e-02 2.402965e-01 0.004395 0.001132 True md_ensemble 5 73 75 + ND2_GB1_8 N_GB1_9 1 0.000000e+00 1.872653e-06 ; 2.968473e-01 -1.872653e-06 4.679615e-03 2.469506e-01 0.004395 0.001132 True md_ensemble 5 73 76 + ND2_GB1_8 CA_GB1_9 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 78 + ND2_GB1_8 CB_GB1_10 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 84 + ND2_GB1_8 CG_GB1_10 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 85 + ND2_GB1_8 CD_GB1_10 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 86 + ND2_GB1_8 CE_GB1_10 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 87 + ND2_GB1_8 CB_GB1_11 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 94 + ND2_GB1_8 CG2_GB1_11 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 96 + ND2_GB1_8 CB_GB1_12 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 102 + ND2_GB1_8 CG_GB1_12 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 103 + ND2_GB1_8 CD1_GB1_12 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 104 + ND2_GB1_8 CD2_GB1_12 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 105 ND2_GB1_8 CA_GB1_13 1 3.187416e-03 1.921009e-05 ; 4.265944e-01 1.322172e-01 1.467945e-02 7.800764e-03 0.004395 0.008483 True md_ensemble 7 73 110 - ND2_GB1_8 CB_GB1_13 1 0.000000e+00 6.274467e-06 ; 3.283168e-01 -6.274467e-06 1.476025e-02 5.828200e-03 0.004395 0.001132 True md_ensemble 7 73 111 + ND2_GB1_8 CB_GB1_13 1 0.000000e+00 6.274432e-06 ; 3.283166e-01 -6.274432e-06 1.476025e-02 5.828200e-03 0.004395 0.001132 True md_ensemble 7 73 111 ND2_GB1_8 CG_GB1_13 1 6.437157e-04 1.459765e-06 ; 3.624639e-01 7.096519e-02 2.997836e-02 7.575733e-03 0.004395 0.001132 True md_ensemble 7 73 112 - ND2_GB1_8 CD_GB1_13 1 0.000000e+00 6.126487e-06 ; 3.276644e-01 -6.126487e-06 4.353579e-02 1.122995e-02 0.004395 0.001132 True md_ensemble 7 73 113 + ND2_GB1_8 CD_GB1_13 1 0.000000e+00 6.126453e-06 ; 3.276643e-01 -6.126453e-06 4.353579e-02 1.122995e-02 0.004395 0.001132 True md_ensemble 7 73 113 ND2_GB1_8 CE_GB1_13 1 1.067312e-03 3.127626e-06 ; 3.782863e-01 9.105581e-02 7.361740e-02 1.260303e-02 0.004395 0.001132 True md_ensemble 7 73 114 ND2_GB1_8 NZ_GB1_13 1 2.133462e-03 4.730504e-06 ; 3.611080e-01 2.405484e-01 1.198502e-01 7.935520e-03 0.004395 0.011584 True md_ensemble 7 73 115 - ND2_GB1_8 CA_GB1_14 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 120 - ND2_GB1_8 CB_GB1_15 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 126 - ND2_GB1_8 CG_GB1_15 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 127 - ND2_GB1_8 CB_GB1_16 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 136 - ND2_GB1_8 CG2_GB1_16 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 138 - ND2_GB1_8 CB_GB1_17 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 144 - ND2_GB1_8 CG2_GB1_17 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 146 - ND2_GB1_8 CB_GB1_18 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 152 - ND2_GB1_8 CG2_GB1_18 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 154 - ND2_GB1_8 CB_GB1_19 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 160 - ND2_GB1_8 CG_GB1_19 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 161 - ND2_GB1_8 CB_GB1_20 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 170 - ND2_GB1_8 CB_GB1_21 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 176 - ND2_GB1_8 CG1_GB1_21 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 177 - ND2_GB1_8 CG2_GB1_21 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 178 - ND2_GB1_8 CB_GB1_22 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 184 - ND2_GB1_8 CB_GB1_23 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 193 - ND2_GB1_8 CB_GB1_24 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 199 - ND2_GB1_8 CB_GB1_25 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 205 - ND2_GB1_8 CG2_GB1_25 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 207 - ND2_GB1_8 CB_GB1_26 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 213 - ND2_GB1_8 CB_GB1_27 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 219 - ND2_GB1_8 CG_GB1_27 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 220 - ND2_GB1_8 CB_GB1_28 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 229 - ND2_GB1_8 CG_GB1_28 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 230 - ND2_GB1_8 CD_GB1_28 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 231 - ND2_GB1_8 CE_GB1_28 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 232 - ND2_GB1_8 CB_GB1_29 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 239 - ND2_GB1_8 CG1_GB1_29 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 240 - ND2_GB1_8 CG2_GB1_29 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 241 - ND2_GB1_8 CB_GB1_30 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 247 - ND2_GB1_8 CB_GB1_31 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 259 - ND2_GB1_8 CG_GB1_31 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 260 - ND2_GB1_8 CD_GB1_31 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 261 - ND2_GB1_8 CE_GB1_31 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 262 - ND2_GB1_8 CB_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 269 - ND2_GB1_8 CG_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 270 - ND2_GB1_8 CB_GB1_33 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 279 - ND2_GB1_8 CB_GB1_34 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 292 - ND2_GB1_8 CB_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 298 - ND2_GB1_8 CB_GB1_36 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 307 - ND2_GB1_8 CB_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 316 - ND2_GB1_8 CA_GB1_38 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 324 - ND2_GB1_8 CB_GB1_39 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 330 - ND2_GB1_8 CG1_GB1_39 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 331 - ND2_GB1_8 CG2_GB1_39 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 332 - ND2_GB1_8 CB_GB1_40 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 338 - ND2_GB1_8 CA_GB1_41 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 346 - ND2_GB1_8 CB_GB1_42 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 352 - ND2_GB1_8 CG_GB1_42 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 353 - ND2_GB1_8 CB_GB1_43 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 362 - ND2_GB1_8 CB_GB1_44 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 377 - ND2_GB1_8 CG2_GB1_44 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 379 - ND2_GB1_8 CB_GB1_45 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 385 - ND2_GB1_8 CB_GB1_46 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 398 - ND2_GB1_8 CB_GB1_47 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 407 - ND2_GB1_8 CB_GB1_48 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 416 - ND2_GB1_8 CB_GB1_49 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 422 - ND2_GB1_8 CG2_GB1_49 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 424 - ND2_GB1_8 CB_GB1_50 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 430 - ND2_GB1_8 CG_GB1_50 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 431 - ND2_GB1_8 CD_GB1_50 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 432 - ND2_GB1_8 CE_GB1_50 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 433 - ND2_GB1_8 CB_GB1_51 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 440 - ND2_GB1_8 CG2_GB1_51 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 442 - ND2_GB1_8 CB_GB1_52 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 448 + ND2_GB1_8 CA_GB1_14 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 120 + ND2_GB1_8 CB_GB1_15 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 126 + ND2_GB1_8 CG_GB1_15 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 127 + ND2_GB1_8 CB_GB1_16 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 136 + ND2_GB1_8 CG2_GB1_16 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 138 + ND2_GB1_8 CB_GB1_17 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 144 + ND2_GB1_8 CG2_GB1_17 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 146 + ND2_GB1_8 CB_GB1_18 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 152 + ND2_GB1_8 CG2_GB1_18 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 154 + ND2_GB1_8 CB_GB1_19 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 160 + ND2_GB1_8 CG_GB1_19 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 161 + ND2_GB1_8 CB_GB1_20 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 170 + ND2_GB1_8 CB_GB1_21 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 176 + ND2_GB1_8 CG1_GB1_21 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 177 + ND2_GB1_8 CG2_GB1_21 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 178 + ND2_GB1_8 CB_GB1_22 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 184 + ND2_GB1_8 CB_GB1_23 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 193 + ND2_GB1_8 CB_GB1_24 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 199 + ND2_GB1_8 CB_GB1_25 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 205 + ND2_GB1_8 CG2_GB1_25 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 207 + ND2_GB1_8 CB_GB1_26 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 213 + ND2_GB1_8 CB_GB1_27 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 219 + ND2_GB1_8 CG_GB1_27 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 220 + ND2_GB1_8 CB_GB1_28 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 229 + ND2_GB1_8 CG_GB1_28 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 230 + ND2_GB1_8 CD_GB1_28 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 231 + ND2_GB1_8 CE_GB1_28 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 232 + ND2_GB1_8 CB_GB1_29 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 239 + ND2_GB1_8 CG1_GB1_29 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 240 + ND2_GB1_8 CG2_GB1_29 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 241 + ND2_GB1_8 CB_GB1_30 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 247 + ND2_GB1_8 CB_GB1_31 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 259 + ND2_GB1_8 CG_GB1_31 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 260 + ND2_GB1_8 CD_GB1_31 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 261 + ND2_GB1_8 CE_GB1_31 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 262 + ND2_GB1_8 CB_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 269 + ND2_GB1_8 CG_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 270 + ND2_GB1_8 CB_GB1_33 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 279 + ND2_GB1_8 CB_GB1_34 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 292 + ND2_GB1_8 CB_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 298 + ND2_GB1_8 CB_GB1_36 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 307 + ND2_GB1_8 CB_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 316 + ND2_GB1_8 CA_GB1_38 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 324 + ND2_GB1_8 CB_GB1_39 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 330 + ND2_GB1_8 CG1_GB1_39 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 331 + ND2_GB1_8 CG2_GB1_39 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 332 + ND2_GB1_8 CB_GB1_40 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 338 + ND2_GB1_8 CA_GB1_41 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 346 + ND2_GB1_8 CB_GB1_42 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 352 + ND2_GB1_8 CG_GB1_42 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 353 + ND2_GB1_8 CB_GB1_43 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 362 + ND2_GB1_8 CB_GB1_44 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 377 + ND2_GB1_8 CG2_GB1_44 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 379 + ND2_GB1_8 CB_GB1_45 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 385 + ND2_GB1_8 CB_GB1_46 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 398 + ND2_GB1_8 CB_GB1_47 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 407 + ND2_GB1_8 CB_GB1_48 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 416 + ND2_GB1_8 CB_GB1_49 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 422 + ND2_GB1_8 CG2_GB1_49 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 424 + ND2_GB1_8 CB_GB1_50 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 430 + ND2_GB1_8 CG_GB1_50 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 431 + ND2_GB1_8 CD_GB1_50 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 432 + ND2_GB1_8 CE_GB1_50 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 433 + ND2_GB1_8 CB_GB1_51 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 440 + ND2_GB1_8 CG2_GB1_51 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 442 + ND2_GB1_8 CB_GB1_52 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 448 ND2_GB1_8 CA_GB1_53 1 1.201468e-02 1.148655e-04 ; 4.606944e-01 3.141770e-01 4.993935e-01 0.000000e+00 0.004395 0.008483 True md_ensemble 7 73 459 ND2_GB1_8 CB_GB1_53 1 8.887668e-03 5.835226e-05 ; 4.327247e-01 3.384215e-01 7.989744e-01 1.000637e-04 0.004395 0.001132 True md_ensemble 7 73 460 ND2_GB1_8 OG1_GB1_53 1 2.159626e-04 7.255648e-08 ; 2.636633e-01 1.607018e-01 2.549722e-02 1.000646e-04 0.004395 0.011584 True md_ensemble 7 73 461 @@ -12745,8 +12745,8 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 ND2_GB1_8 N_GB1_54 1 2.048467e-03 4.140933e-06 ; 3.555862e-01 2.533376e-01 1.535671e-01 0.000000e+00 0.004395 0.011584 True md_ensemble 7 73 465 ND2_GB1_8 CA_GB1_54 1 9.067327e-03 6.924615e-05 ; 4.437647e-01 2.968267e-01 3.567701e-01 1.632830e-05 0.004395 0.008483 True md_ensemble 7 73 467 ND2_GB1_8 CB_GB1_54 1 8.494521e-03 1.035224e-04 ; 4.797142e-01 1.742543e-01 3.315711e-02 5.977965e-04 0.004395 0.001132 True md_ensemble 7 73 468 - ND2_GB1_8 CG1_GB1_54 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 469 - ND2_GB1_8 CG2_GB1_54 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 470 + ND2_GB1_8 CG1_GB1_54 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 469 + ND2_GB1_8 CG2_GB1_54 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 470 ND2_GB1_8 C_GB1_54 1 2.738202e-03 6.019536e-06 ; 3.605921e-01 3.113923e-01 4.731526e-01 0.000000e+00 0.004395 0.011584 True md_ensemble 7 73 471 ND2_GB1_8 O_GB1_54 1 5.199775e-04 2.108205e-07 ; 2.720537e-01 3.206242e-01 5.658683e-01 0.000000e+00 0.004395 0.011584 True md_ensemble 7 73 472 ND2_GB1_8 N_GB1_55 1 3.333558e-03 1.121963e-05 ; 3.871195e-01 2.476153e-01 1.374447e-01 0.000000e+00 0.004395 0.011584 True md_ensemble 7 73 473 @@ -12754,24 +12754,24 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 ND2_GB1_8 CB_GB1_55 1 4.259188e-03 1.318964e-05 ; 3.817840e-01 3.438435e-01 8.875125e-01 1.126799e-04 0.004395 0.001132 True md_ensemble 7 73 476 ND2_GB1_8 OG1_GB1_55 1 5.091233e-04 1.915479e-07 ; 2.686844e-01 3.383052e-01 7.971742e-01 1.946426e-06 0.004395 0.011584 True md_ensemble 7 73 477 ND2_GB1_8 CG2_GB1_55 1 2.131380e-03 3.454009e-06 ; 3.427234e-01 3.288051e-01 6.631039e-01 1.036027e-04 0.004395 0.001132 True md_ensemble 7 73 478 - ND2_GB1_8 CB_GB1_56 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 484 - ND2_GB1_8 CG_GB1_56 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 485 - C_GB1_8 CA_GB1_9 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 78 - C_GB1_8 O_GB1_9 1 0.000000e+00 5.503401e-07 ; 2.680490e-01 -5.503401e-07 9.999921e-01 6.655038e-01 0.004395 0.001132 True md_ensemble 4 74 80 - C_GB1_8 N_GB1_10 1 0.000000e+00 1.476180e-06 ; 2.910203e-01 -1.476180e-06 9.734649e-01 9.522676e-01 0.004395 0.001132 True md_ensemble 4 74 81 - C_GB1_8 CA_GB1_10 1 0.000000e+00 1.448459e-05 ; 3.520226e-01 -1.448459e-05 7.226470e-01 8.324188e-01 0.004395 0.001132 True md_ensemble 5 74 83 - C_GB1_8 CB_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 84 - C_GB1_8 CG_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 85 - C_GB1_8 CD_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 86 - C_GB1_8 CE_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 87 + ND2_GB1_8 CB_GB1_56 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 484 + ND2_GB1_8 CG_GB1_56 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 73 485 + C_GB1_8 CA_GB1_9 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 78 + C_GB1_8 O_GB1_9 1 0.000000e+00 5.503376e-07 ; 2.680489e-01 -5.503376e-07 9.999921e-01 6.655038e-01 0.004395 0.001132 True md_ensemble 4 74 80 + C_GB1_8 N_GB1_10 1 0.000000e+00 1.476159e-06 ; 2.910200e-01 -1.476159e-06 9.734649e-01 9.522676e-01 0.004395 0.001132 True md_ensemble 4 74 81 + C_GB1_8 CA_GB1_10 1 0.000000e+00 1.448452e-05 ; 3.520224e-01 -1.448452e-05 7.226470e-01 8.324188e-01 0.004395 0.001132 True md_ensemble 5 74 83 + C_GB1_8 CB_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 84 + C_GB1_8 CG_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 85 + C_GB1_8 CD_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 86 + C_GB1_8 CE_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 87 C_GB1_8 C_GB1_10 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 0.000000e+00 7.430235e-02 0.004395 0.001132 True md_ensemble 6 74 89 - C_GB1_8 CB_GB1_11 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 94 - C_GB1_8 CG2_GB1_11 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 96 + C_GB1_8 CB_GB1_11 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 94 + C_GB1_8 CG2_GB1_11 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 96 C_GB1_8 CA_GB1_12 1 6.638176e-03 8.734593e-05 ; 4.858837e-01 1.261232e-01 3.759523e-02 2.444796e-02 0.004395 0.008482 True md_ensemble 7 74 101 - C_GB1_8 CB_GB1_12 1 0.000000e+00 6.464325e-06 ; 3.291334e-01 -6.464325e-06 1.249185e-02 3.307359e-02 0.004395 0.001132 True md_ensemble 7 74 102 - C_GB1_8 CG_GB1_12 1 0.000000e+00 1.368004e-05 ; 3.503501e-01 -1.368004e-05 8.928085e-03 5.705727e-02 0.004395 0.001132 True md_ensemble 7 74 103 - C_GB1_8 CD1_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 104 - C_GB1_8 CD2_GB1_12 1 0.000000e+00 4.782368e-06 ; 3.209706e-01 -4.782368e-06 4.591545e-03 1.649408e-02 0.004395 0.001132 True md_ensemble 7 74 105 + C_GB1_8 CB_GB1_12 1 0.000000e+00 6.464216e-06 ; 3.291329e-01 -6.464216e-06 1.249185e-02 3.307359e-02 0.004395 0.001132 True md_ensemble 7 74 102 + C_GB1_8 CG_GB1_12 1 0.000000e+00 1.367997e-05 ; 3.503500e-01 -1.367997e-05 8.928085e-03 5.705727e-02 0.004395 0.001132 True md_ensemble 7 74 103 + C_GB1_8 CD1_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 104 + C_GB1_8 CD2_GB1_12 1 0.000000e+00 4.782306e-06 ; 3.209702e-01 -4.782306e-06 4.591545e-03 1.649408e-02 0.004395 0.001132 True md_ensemble 7 74 105 C_GB1_8 C_GB1_12 1 6.468505e-03 3.970092e-05 ; 4.278906e-01 2.634797e-01 1.869281e-01 1.392290e-03 0.004395 0.011584 True md_ensemble 7 74 106 C_GB1_8 O_GB1_12 1 2.220691e-03 3.633852e-06 ; 3.432784e-01 3.392729e-01 8.122681e-01 4.476816e-03 0.004395 0.011584 True md_ensemble 7 74 107 C_GB1_8 CA_GB1_13 1 1.212796e-02 1.077700e-04 ; 4.551120e-01 3.412069e-01 8.432951e-01 2.250253e-03 0.004395 0.008482 True md_ensemble 7 74 110 @@ -12780,78 +12780,78 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 C_GB1_8 CD_GB1_13 1 3.742810e-03 1.536729e-05 ; 4.001596e-01 2.278967e-01 3.452998e-01 4.166461e-03 0.004395 0.001132 True md_ensemble 7 74 113 C_GB1_8 CE_GB1_13 1 3.381464e-03 1.418155e-05 ; 4.015779e-01 2.015699e-01 2.659939e-01 5.346400e-03 0.004395 0.001132 True md_ensemble 7 74 114 C_GB1_8 NZ_GB1_13 1 2.491797e-03 6.227907e-06 ; 3.683875e-01 2.492432e-01 1.418508e-01 3.365089e-03 0.004395 0.011584 True md_ensemble 7 74 115 - C_GB1_8 CA_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 120 - C_GB1_8 CB_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 126 - C_GB1_8 CG_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 127 - C_GB1_8 CB_GB1_16 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 136 - C_GB1_8 CG2_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 138 - C_GB1_8 CB_GB1_17 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 144 - C_GB1_8 CG2_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 146 - C_GB1_8 CB_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 152 - C_GB1_8 CG2_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 154 - C_GB1_8 CB_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 160 - C_GB1_8 CG_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 161 - C_GB1_8 CB_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 170 - C_GB1_8 CB_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 176 - C_GB1_8 CG1_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 177 - C_GB1_8 CG2_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 178 - C_GB1_8 CB_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 184 - C_GB1_8 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 193 - C_GB1_8 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 199 - C_GB1_8 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 205 - C_GB1_8 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 207 - C_GB1_8 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 213 - C_GB1_8 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 219 - C_GB1_8 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 220 - C_GB1_8 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 229 - C_GB1_8 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 230 - C_GB1_8 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 231 - C_GB1_8 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 232 - C_GB1_8 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 239 - C_GB1_8 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 240 - C_GB1_8 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 241 - C_GB1_8 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 247 - C_GB1_8 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 259 - C_GB1_8 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 260 - C_GB1_8 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 261 - C_GB1_8 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 262 - C_GB1_8 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 269 - C_GB1_8 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 270 - C_GB1_8 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 279 - C_GB1_8 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 292 - C_GB1_8 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 298 - C_GB1_8 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 307 - C_GB1_8 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 316 - C_GB1_8 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 324 + C_GB1_8 CA_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 120 + C_GB1_8 CB_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 126 + C_GB1_8 CG_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 127 + C_GB1_8 CB_GB1_16 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 136 + C_GB1_8 CG2_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 138 + C_GB1_8 CB_GB1_17 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 144 + C_GB1_8 CG2_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 146 + C_GB1_8 CB_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 152 + C_GB1_8 CG2_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 154 + C_GB1_8 CB_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 160 + C_GB1_8 CG_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 161 + C_GB1_8 CB_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 170 + C_GB1_8 CB_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 176 + C_GB1_8 CG1_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 177 + C_GB1_8 CG2_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 178 + C_GB1_8 CB_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 184 + C_GB1_8 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 193 + C_GB1_8 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 199 + C_GB1_8 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 205 + C_GB1_8 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 207 + C_GB1_8 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 213 + C_GB1_8 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 219 + C_GB1_8 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 220 + C_GB1_8 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 229 + C_GB1_8 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 230 + C_GB1_8 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 231 + C_GB1_8 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 232 + C_GB1_8 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 239 + C_GB1_8 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 240 + C_GB1_8 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 241 + C_GB1_8 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 247 + C_GB1_8 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 259 + C_GB1_8 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 260 + C_GB1_8 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 261 + C_GB1_8 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 262 + C_GB1_8 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 269 + C_GB1_8 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 270 + C_GB1_8 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 279 + C_GB1_8 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 292 + C_GB1_8 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 298 + C_GB1_8 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 307 + C_GB1_8 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 316 + C_GB1_8 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 324 C_GB1_8 CB_GB1_39 1 1.039679e-02 1.146490e-04 ; 4.717861e-01 2.357049e-01 1.091105e-01 1.006250e-04 0.004395 0.001132 True md_ensemble 7 74 330 C_GB1_8 CG1_GB1_39 1 4.581473e-03 1.715841e-05 ; 3.940748e-01 3.058251e-01 4.247536e-01 2.000802e-04 0.004395 0.001132 True md_ensemble 7 74 331 C_GB1_8 CG2_GB1_39 1 4.877200e-03 2.653042e-05 ; 4.193683e-01 2.241491e-01 8.721480e-02 1.616307e-04 0.004395 0.001132 True md_ensemble 7 74 332 - C_GB1_8 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 338 - C_GB1_8 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 346 - C_GB1_8 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 352 - C_GB1_8 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 353 - C_GB1_8 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 362 - C_GB1_8 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 377 - C_GB1_8 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 379 - C_GB1_8 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 385 - C_GB1_8 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 398 - C_GB1_8 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 407 - C_GB1_8 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 416 - C_GB1_8 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 422 - C_GB1_8 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 424 - C_GB1_8 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 430 - C_GB1_8 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 431 - C_GB1_8 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 432 - C_GB1_8 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 433 - C_GB1_8 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 440 - C_GB1_8 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 442 - C_GB1_8 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 448 - C_GB1_8 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 460 - C_GB1_8 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 462 + C_GB1_8 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 338 + C_GB1_8 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 346 + C_GB1_8 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 352 + C_GB1_8 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 353 + C_GB1_8 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 362 + C_GB1_8 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 377 + C_GB1_8 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 379 + C_GB1_8 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 385 + C_GB1_8 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 398 + C_GB1_8 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 407 + C_GB1_8 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 416 + C_GB1_8 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 422 + C_GB1_8 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 424 + C_GB1_8 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 430 + C_GB1_8 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 431 + C_GB1_8 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 432 + C_GB1_8 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 433 + C_GB1_8 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 440 + C_GB1_8 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 442 + C_GB1_8 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 448 + C_GB1_8 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 460 + C_GB1_8 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 462 C_GB1_8 CA_GB1_54 1 8.796493e-03 1.338756e-04 ; 4.978119e-01 1.444966e-01 1.862421e-02 0.000000e+00 0.004395 0.008482 True md_ensemble 7 74 467 C_GB1_8 CB_GB1_54 1 6.986500e-03 9.295338e-05 ; 4.867817e-01 1.312787e-01 1.441482e-02 1.054143e-04 0.004395 0.001132 True md_ensemble 7 74 468 C_GB1_8 CG1_GB1_54 1 2.764444e-03 2.097226e-05 ; 4.432747e-01 9.109829e-02 6.615640e-03 1.646551e-04 0.004395 0.001132 True md_ensemble 7 74 469 - C_GB1_8 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 470 + C_GB1_8 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 74 470 C_GB1_8 C_GB1_54 1 7.010193e-03 3.640625e-05 ; 4.161415e-01 3.374614e-01 7.842418e-01 0.000000e+00 0.004395 0.011584 True md_ensemble 7 74 471 C_GB1_8 O_GB1_54 1 1.507790e-03 1.625184e-06 ; 3.202041e-01 3.497189e-01 9.945654e-01 0.000000e+00 0.004395 0.011584 True md_ensemble 7 74 472 C_GB1_8 N_GB1_55 1 4.075269e-03 2.092234e-05 ; 4.153450e-01 1.984460e-01 5.299346e-02 0.000000e+00 0.004395 0.011584 True md_ensemble 7 74 473 @@ -12867,11 +12867,11 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 O_GB1_8 O_GB1_8 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 75 75 O_GB1_8 H_GB1_9 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 75 77 O_GB1_8 CA_GB1_9 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 75 78 - O_GB1_8 C_GB1_9 1 0.000000e+00 8.249259e-07 ; 2.772445e-01 -8.249259e-07 9.999896e-01 9.975505e-01 0.004395 0.001132 True md_ensemble 4 75 79 + O_GB1_8 C_GB1_9 1 0.000000e+00 8.249220e-07 ; 2.772444e-01 -8.249220e-07 9.999896e-01 9.975505e-01 0.004395 0.001132 True md_ensemble 4 75 79 O_GB1_8 O_GB1_9 1 0.000000e+00 1.081012e-06 ; 2.835617e-01 -1.081012e-06 9.973952e-01 7.180697e-01 0.004395 0.001132 True md_ensemble 5 75 80 O_GB1_8 N_GB1_10 1 0.000000e+00 1.397412e-06 ; 2.896935e-01 -1.397412e-06 9.226534e-01 8.542612e-01 0.004395 0.001132 True md_ensemble 5 75 81 O_GB1_8 H_GB1_10 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 75 82 - O_GB1_8 CA_GB1_10 1 0.000000e+00 5.065146e-06 ; 3.225109e-01 -5.065146e-06 2.003924e-01 4.198826e-01 0.004395 0.001132 True md_ensemble 6 75 83 + O_GB1_8 CA_GB1_10 1 0.000000e+00 5.065186e-06 ; 3.225111e-01 -5.065186e-06 2.003924e-01 4.198826e-01 0.004395 0.001132 True md_ensemble 6 75 83 O_GB1_8 CB_GB1_10 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 8.036784e-02 0.004395 0.007862 True md_ensemble 7 75 84 O_GB1_8 CG_GB1_10 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 1.122662e-03 1.036446e-01 0.004395 0.007862 True md_ensemble 7 75 85 O_GB1_8 CD_GB1_10 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 2.498150e-04 2.672402e-02 0.004395 0.007862 True md_ensemble 7 75 86 @@ -13088,24 +13088,24 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 O_GB1_8 C_GB1_56 1 3.430951e-03 1.007460e-05 ; 3.784155e-01 2.921065e-01 3.255774e-01 1.039537e-06 0.004395 0.011584 True md_ensemble 7 75 489 O_GB1_8 O1_GB1_56 1 1.942588e-03 3.064884e-06 ; 3.411973e-01 3.078133e-01 4.414415e-01 9.995030e-05 0.004395 0.001132 True md_ensemble 7 75 490 O_GB1_8 O2_GB1_56 1 1.942588e-03 3.064884e-06 ; 3.411973e-01 3.078133e-01 4.414415e-01 9.995030e-05 0.004395 0.001132 True md_ensemble 7 75 491 - N_GB1_9 CA_GB1_9 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 78 - N_GB1_9 CA_GB1_10 1 0.000000e+00 7.574873e-06 ; 3.335106e-01 -7.574873e-06 9.999993e-01 9.999832e-01 0.004395 0.001132 True md_ensemble 4 76 83 - N_GB1_9 CB_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 84 - N_GB1_9 CG_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 85 - N_GB1_9 CD_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 86 - N_GB1_9 CE_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 87 + N_GB1_9 CA_GB1_9 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 78 + N_GB1_9 CA_GB1_10 1 0.000000e+00 7.574861e-06 ; 3.335105e-01 -7.574861e-06 9.999993e-01 9.999832e-01 0.004395 0.001132 True md_ensemble 4 76 83 + N_GB1_9 CB_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 84 + N_GB1_9 CG_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 85 + N_GB1_9 CD_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 86 + N_GB1_9 CE_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 87 N_GB1_9 NZ_GB1_10 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 4.741000e-05 2.648131e-03 0.004395 0.001132 True md_ensemble 7 76 88 N_GB1_9 C_GB1_10 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 4.224500e-05 9.072407e-02 0.004395 0.001132 True md_ensemble 5 76 89 N_GB1_9 O_GB1_10 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 0.000000e+00 9.288909e-02 0.004395 0.001132 True md_ensemble 6 76 90 N_GB1_9 N_GB1_11 1 0.000000e+00 8.752940e-07 ; 2.786171e-01 -8.752940e-07 8.720250e-05 1.123936e-01 0.004395 0.001132 True md_ensemble 6 76 91 - N_GB1_9 CB_GB1_11 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 94 - N_GB1_9 CG2_GB1_11 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 96 + N_GB1_9 CB_GB1_11 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 94 + N_GB1_9 CG2_GB1_11 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 96 N_GB1_9 N_GB1_12 1 2.248113e-03 7.523241e-06 ; 3.867507e-01 1.679467e-01 4.574149e-02 1.764165e-03 0.004395 0.001132 True md_ensemble 7 76 99 N_GB1_9 CA_GB1_12 1 8.047177e-03 5.098200e-05 ; 4.301589e-01 3.175487e-01 7.811949e-01 1.242961e-02 0.004395 0.008482 True md_ensemble 7 76 101 N_GB1_9 CB_GB1_12 1 1.244589e-03 4.019878e-06 ; 3.844718e-01 9.633387e-02 1.742540e-01 2.693064e-02 0.004395 0.001132 True md_ensemble 7 76 102 - N_GB1_9 CG_GB1_12 1 0.000000e+00 7.450004e-06 ; 3.330489e-01 -7.450004e-06 6.324275e-02 4.674225e-02 0.004395 0.001132 True md_ensemble 7 76 103 - N_GB1_9 CD1_GB1_12 1 0.000000e+00 2.816509e-06 ; 3.071173e-01 -2.816509e-06 7.546595e-03 3.437316e-02 0.004395 0.001132 True md_ensemble 7 76 104 - N_GB1_9 CD2_GB1_12 1 0.000000e+00 2.716946e-06 ; 3.061976e-01 -2.716946e-06 2.046426e-02 1.099270e-02 0.004395 0.001132 True md_ensemble 7 76 105 + N_GB1_9 CG_GB1_12 1 0.000000e+00 7.449992e-06 ; 3.330489e-01 -7.449992e-06 6.324275e-02 4.674225e-02 0.004395 0.001132 True md_ensemble 7 76 103 + N_GB1_9 CD1_GB1_12 1 0.000000e+00 2.816483e-06 ; 3.071170e-01 -2.816483e-06 7.546595e-03 3.437316e-02 0.004395 0.001132 True md_ensemble 7 76 104 + N_GB1_9 CD2_GB1_12 1 0.000000e+00 2.716921e-06 ; 3.061973e-01 -2.716921e-06 2.046426e-02 1.099270e-02 0.004395 0.001132 True md_ensemble 7 76 105 N_GB1_9 C_GB1_12 1 2.776751e-03 5.532125e-06 ; 3.547256e-01 3.484351e-01 9.701236e-01 2.233310e-03 0.004395 0.011584 True md_ensemble 7 76 106 N_GB1_9 O_GB1_12 1 3.619483e-04 9.359890e-08 ; 2.524085e-01 3.499148e-01 9.983506e-01 1.135240e-02 0.004395 0.011584 True md_ensemble 7 76 107 N_GB1_9 N_GB1_13 1 3.036650e-03 9.655078e-06 ; 3.834660e-01 2.387667e-01 1.157820e-01 1.458827e-04 0.004395 0.001132 True md_ensemble 7 76 108 @@ -13116,127 +13116,127 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 N_GB1_9 CE_GB1_13 1 4.058112e-03 1.957430e-05 ; 4.110491e-01 2.103303e-01 1.548592e-01 2.626524e-03 0.004395 0.001132 True md_ensemble 7 76 114 N_GB1_9 NZ_GB1_13 1 2.209507e-03 7.045262e-06 ; 3.836486e-01 1.732342e-01 3.966125e-02 1.380655e-03 0.004395 0.001132 True md_ensemble 7 76 115 N_GB1_9 N_GB1_14 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.350000e-07 1.073033e-04 0.004395 0.001132 True md_ensemble 7 76 118 - N_GB1_9 CA_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 120 + N_GB1_9 CA_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 120 N_GB1_9 N_GB1_15 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.362416e-04 0.004395 0.001132 True md_ensemble 7 76 123 - N_GB1_9 CB_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 126 - N_GB1_9 CG_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 127 + N_GB1_9 CB_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 126 + N_GB1_9 CG_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 127 N_GB1_9 N_GB1_16 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 3.244777e-06 0.004395 0.001132 True md_ensemble 7 76 133 - N_GB1_9 CB_GB1_16 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 136 - N_GB1_9 CG2_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 138 + N_GB1_9 CB_GB1_16 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 136 + N_GB1_9 CG2_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 138 N_GB1_9 N_GB1_17 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 9.679804e-05 0.004395 0.001132 True md_ensemble 7 76 141 - N_GB1_9 CB_GB1_17 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 144 - N_GB1_9 CG2_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 146 + N_GB1_9 CB_GB1_17 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 144 + N_GB1_9 CG2_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 146 N_GB1_9 N_GB1_18 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 76 149 - N_GB1_9 CB_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 152 - N_GB1_9 CG2_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 154 + N_GB1_9 CB_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 152 + N_GB1_9 CG2_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 154 N_GB1_9 N_GB1_19 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 76 157 - N_GB1_9 CB_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 160 - N_GB1_9 CG_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 161 + N_GB1_9 CB_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 160 + N_GB1_9 CG_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 161 N_GB1_9 N_GB1_20 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 76 167 - N_GB1_9 CB_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 170 + N_GB1_9 CB_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 170 N_GB1_9 N_GB1_21 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 76 173 - N_GB1_9 CB_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 176 - N_GB1_9 CG1_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 177 - N_GB1_9 CG2_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 178 + N_GB1_9 CB_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 176 + N_GB1_9 CG1_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 177 + N_GB1_9 CG2_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 178 N_GB1_9 N_GB1_22 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 76 181 - N_GB1_9 CB_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 184 + N_GB1_9 CB_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 184 N_GB1_9 N_GB1_23 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 76 190 - N_GB1_9 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 193 + N_GB1_9 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 193 N_GB1_9 N_GB1_24 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 76 196 - N_GB1_9 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 199 + N_GB1_9 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 199 N_GB1_9 N_GB1_25 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 76 202 - N_GB1_9 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 205 - N_GB1_9 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 207 + N_GB1_9 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 205 + N_GB1_9 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 207 N_GB1_9 N_GB1_26 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 76 210 - N_GB1_9 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 213 + N_GB1_9 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 213 N_GB1_9 N_GB1_27 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 76 216 - N_GB1_9 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 219 - N_GB1_9 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 220 + N_GB1_9 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 219 + N_GB1_9 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 220 N_GB1_9 N_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 76 226 - N_GB1_9 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 229 - N_GB1_9 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 230 - N_GB1_9 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 231 - N_GB1_9 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 232 + N_GB1_9 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 229 + N_GB1_9 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 230 + N_GB1_9 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 231 + N_GB1_9 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 232 N_GB1_9 NZ_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.098362e-04 0.004395 0.001132 True md_ensemble 7 76 233 N_GB1_9 N_GB1_29 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 76 236 - N_GB1_9 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 239 - N_GB1_9 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 240 - N_GB1_9 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 241 + N_GB1_9 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 239 + N_GB1_9 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 240 + N_GB1_9 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 241 N_GB1_9 N_GB1_30 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 76 244 - N_GB1_9 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 247 + N_GB1_9 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 247 N_GB1_9 N_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 76 256 - N_GB1_9 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 259 - N_GB1_9 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 260 - N_GB1_9 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 261 - N_GB1_9 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 262 + N_GB1_9 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 259 + N_GB1_9 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 260 + N_GB1_9 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 261 + N_GB1_9 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 262 N_GB1_9 NZ_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.000600e-04 0.004395 0.001132 True md_ensemble 7 76 263 N_GB1_9 N_GB1_32 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 76 266 - N_GB1_9 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 269 - N_GB1_9 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 270 + N_GB1_9 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 269 + N_GB1_9 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 270 N_GB1_9 N_GB1_33 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 76 276 - N_GB1_9 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 279 + N_GB1_9 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 279 N_GB1_9 N_GB1_34 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 76 289 - N_GB1_9 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 292 + N_GB1_9 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 292 N_GB1_9 N_GB1_35 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 76 295 - N_GB1_9 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 298 + N_GB1_9 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 298 N_GB1_9 N_GB1_36 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 76 304 - N_GB1_9 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 307 + N_GB1_9 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 307 N_GB1_9 N_GB1_37 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 76 313 - N_GB1_9 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 316 + N_GB1_9 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 316 N_GB1_9 N_GB1_38 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 76 322 - N_GB1_9 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 324 + N_GB1_9 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 324 N_GB1_9 N_GB1_39 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 76 327 N_GB1_9 CA_GB1_39 1 3.491961e-03 3.780779e-05 ; 4.703473e-01 8.063014e-02 5.400715e-03 1.000646e-04 0.004395 0.008482 True md_ensemble 7 76 329 N_GB1_9 CB_GB1_39 1 8.857111e-03 6.578589e-05 ; 4.417129e-01 2.981202e-01 3.658283e-01 7.557876e-06 0.004395 0.001132 True md_ensemble 7 76 330 N_GB1_9 CG1_GB1_39 1 3.078936e-03 7.276004e-06 ; 3.649629e-01 3.257230e-01 6.246496e-01 9.952118e-05 0.004395 0.001132 True md_ensemble 7 76 331 N_GB1_9 CG2_GB1_39 1 3.579625e-03 1.047543e-05 ; 3.782008e-01 3.058040e-01 4.245796e-01 0.000000e+00 0.004395 0.001132 True md_ensemble 7 76 332 N_GB1_9 N_GB1_40 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 76 335 - N_GB1_9 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 338 + N_GB1_9 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 338 N_GB1_9 N_GB1_41 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 76 344 - N_GB1_9 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 346 + N_GB1_9 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 346 N_GB1_9 N_GB1_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 76 349 - N_GB1_9 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 352 - N_GB1_9 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 353 + N_GB1_9 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 352 + N_GB1_9 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 353 N_GB1_9 N_GB1_43 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 76 359 - N_GB1_9 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 362 + N_GB1_9 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 362 N_GB1_9 N_GB1_44 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 76 374 - N_GB1_9 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 377 - N_GB1_9 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 379 + N_GB1_9 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 377 + N_GB1_9 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 379 N_GB1_9 N_GB1_45 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 76 382 - N_GB1_9 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 385 + N_GB1_9 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 385 N_GB1_9 N_GB1_46 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 76 395 - N_GB1_9 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 398 + N_GB1_9 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 398 N_GB1_9 N_GB1_47 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 76 404 - N_GB1_9 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 407 + N_GB1_9 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 407 N_GB1_9 N_GB1_48 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 76 413 - N_GB1_9 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 416 + N_GB1_9 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 416 N_GB1_9 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 76 419 - N_GB1_9 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 422 - N_GB1_9 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 424 + N_GB1_9 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 422 + N_GB1_9 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 424 N_GB1_9 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 76 427 - N_GB1_9 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 430 - N_GB1_9 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 431 - N_GB1_9 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 432 - N_GB1_9 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 433 + N_GB1_9 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 430 + N_GB1_9 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 431 + N_GB1_9 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 432 + N_GB1_9 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 433 N_GB1_9 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.000657e-04 0.004395 0.001132 True md_ensemble 7 76 434 N_GB1_9 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 76 437 - N_GB1_9 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 440 - N_GB1_9 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 442 + N_GB1_9 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 440 + N_GB1_9 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 442 N_GB1_9 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 76 445 - N_GB1_9 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 448 + N_GB1_9 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 448 N_GB1_9 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 76 457 - N_GB1_9 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 460 - N_GB1_9 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 462 + N_GB1_9 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 460 + N_GB1_9 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 462 N_GB1_9 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 76 465 - N_GB1_9 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 468 - N_GB1_9 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 469 - N_GB1_9 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 470 + N_GB1_9 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 468 + N_GB1_9 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 469 + N_GB1_9 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 470 N_GB1_9 C_GB1_54 1 2.058899e-03 9.900529e-06 ; 4.108379e-01 1.070414e-01 9.011160e-03 0.000000e+00 0.004395 0.011584 True md_ensemble 7 76 471 N_GB1_9 O_GB1_54 1 2.922961e-03 6.430754e-06 ; 3.606394e-01 3.321424e-01 7.074165e-01 0.000000e+00 0.004395 0.011584 True md_ensemble 7 76 472 N_GB1_9 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.437500e-05 0.000000e+00 0.004395 0.001132 True md_ensemble 7 76 473 N_GB1_9 CA_GB1_55 1 1.029946e-02 8.256594e-05 ; 4.473675e-01 3.211946e-01 5.721588e-01 0.000000e+00 0.004395 0.008482 True md_ensemble 7 76 475 - N_GB1_9 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 476 - N_GB1_9 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 478 + N_GB1_9 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 476 + N_GB1_9 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 76 478 N_GB1_9 N_GB1_56 1 3.406806e-03 1.130092e-05 ; 3.861841e-01 2.567563e-01 1.640879e-01 0.000000e+00 0.004395 0.001132 True md_ensemble 7 76 481 N_GB1_9 CA_GB1_56 1 1.249863e-02 1.297798e-04 ; 4.670795e-01 3.009246e-01 3.862643e-01 9.998019e-05 0.004395 0.008482 True md_ensemble 7 76 483 N_GB1_9 CB_GB1_56 1 7.361816e-03 4.095744e-05 ; 4.209443e-01 3.308089e-01 6.893660e-01 1.565350e-04 0.004395 0.001132 True md_ensemble 7 76 484 @@ -13247,7 +13247,7 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 N_GB1_9 O1_GB1_56 1 1.225010e-03 4.660727e-06 ; 3.951109e-01 8.049436e-02 5.386520e-03 5.732030e-06 0.004395 0.011584 True md_ensemble 7 76 490 N_GB1_9 O2_GB1_56 1 1.225010e-03 4.660727e-06 ; 3.951109e-01 8.049436e-02 5.386520e-03 5.732030e-06 0.004395 0.011584 True md_ensemble 7 76 491 H_GB1_9 H_GB1_9 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 77 77 - H_GB1_9 O_GB1_9 1 0.000000e+00 9.552944e-09 ; 1.912082e-01 -9.552944e-09 5.911884e-01 2.068639e-01 0.004395 0.001132 True md_ensemble 4 77 80 + H_GB1_9 O_GB1_9 1 0.000000e+00 9.553095e-09 ; 1.912084e-01 -9.553095e-09 5.911884e-01 2.068639e-01 0.004395 0.001132 True md_ensemble 4 77 80 H_GB1_9 H_GB1_10 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 77 82 H_GB1_9 O_GB1_10 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 77 90 H_GB1_9 H_GB1_11 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 77 92 @@ -13378,27 +13378,27 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 H_GB1_9 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 77 488 H_GB1_9 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 77 490 H_GB1_9 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 77 491 - CA_GB1_9 C_GB1_9 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 79 + CA_GB1_9 C_GB1_9 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 79 CA_GB1_9 O_GB1_9 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 80 - CA_GB1_9 N_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 81 - CA_GB1_9 CB_GB1_10 1 0.000000e+00 1.543882e-05 ; 3.538991e-01 -1.543882e-05 9.999966e-01 9.999916e-01 0.004395 0.001132 True md_ensemble 4 78 84 - CA_GB1_9 CG_GB1_10 1 0.000000e+00 1.335718e-05 ; 3.496535e-01 -1.335718e-05 8.718580e-01 7.370222e-01 0.004395 0.001132 True md_ensemble 5 78 85 - CA_GB1_9 CD_GB1_10 1 0.000000e+00 1.491671e-05 ; 3.528860e-01 -1.491671e-05 1.493969e-01 1.155736e-01 0.004395 0.001132 True md_ensemble 6 78 86 - CA_GB1_9 CE_GB1_10 1 0.000000e+00 1.580553e-05 ; 3.545921e-01 -1.580553e-05 5.249667e-03 2.899687e-02 0.004395 0.007860 True md_ensemble 7 78 87 - CA_GB1_9 NZ_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 88 - CA_GB1_9 C_GB1_10 1 0.000000e+00 6.333832e-06 ; 3.285745e-01 -6.333832e-06 1.000000e+00 9.999796e-01 0.004395 0.001132 True md_ensemble 4 78 89 + CA_GB1_9 N_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 81 + CA_GB1_9 CB_GB1_10 1 0.000000e+00 1.543858e-05 ; 3.538987e-01 -1.543858e-05 9.999966e-01 9.999916e-01 0.004395 0.001132 True md_ensemble 4 78 84 + CA_GB1_9 CG_GB1_10 1 0.000000e+00 1.335697e-05 ; 3.496531e-01 -1.335697e-05 8.718580e-01 7.370222e-01 0.004395 0.001132 True md_ensemble 5 78 85 + CA_GB1_9 CD_GB1_10 1 0.000000e+00 1.491647e-05 ; 3.528855e-01 -1.491647e-05 1.493969e-01 1.155736e-01 0.004395 0.001132 True md_ensemble 6 78 86 + CA_GB1_9 CE_GB1_10 1 0.000000e+00 1.580528e-05 ; 3.545917e-01 -1.580528e-05 5.249667e-03 2.899687e-02 0.004395 0.007860 True md_ensemble 7 78 87 + CA_GB1_9 NZ_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 88 + CA_GB1_9 C_GB1_10 1 0.000000e+00 6.333726e-06 ; 3.285741e-01 -6.333726e-06 1.000000e+00 9.999796e-01 0.004395 0.001132 True md_ensemble 4 78 89 CA_GB1_9 O_GB1_10 1 0.000000e+00 2.015656e-06 ; 2.986733e-01 -2.015656e-06 1.887390e-03 1.939475e-01 0.004395 0.001132 True md_ensemble 5 78 90 - CA_GB1_9 N_GB1_11 1 0.000000e+00 2.494617e-06 ; 3.040269e-01 -2.494617e-06 9.981530e-01 6.767607e-01 0.004395 0.001132 True md_ensemble 5 78 91 - CA_GB1_9 CA_GB1_11 1 0.000000e+00 1.971569e-05 ; 3.611847e-01 -1.971569e-05 9.937256e-01 6.134499e-01 0.004395 0.001132 True md_ensemble 6 78 93 - CA_GB1_9 CB_GB1_11 1 0.000000e+00 3.631971e-05 ; 3.800495e-01 -3.631971e-05 1.790928e-01 3.207318e-01 0.004395 0.007117 True md_ensemble 7 78 94 - CA_GB1_9 OG1_GB1_11 1 0.000000e+00 2.956264e-06 ; 3.083592e-01 -2.956264e-06 3.893983e-02 1.010048e-01 0.004395 0.009458 True md_ensemble 7 78 95 + CA_GB1_9 N_GB1_11 1 0.000000e+00 2.494584e-06 ; 3.040266e-01 -2.494584e-06 9.981530e-01 6.767607e-01 0.004395 0.001132 True md_ensemble 5 78 91 + CA_GB1_9 CA_GB1_11 1 0.000000e+00 1.971561e-05 ; 3.611846e-01 -1.971561e-05 9.937256e-01 6.134499e-01 0.004395 0.001132 True md_ensemble 6 78 93 + CA_GB1_9 CB_GB1_11 1 0.000000e+00 3.631955e-05 ; 3.800494e-01 -3.631955e-05 1.790928e-01 3.207318e-01 0.004395 0.007117 True md_ensemble 7 78 94 + CA_GB1_9 OG1_GB1_11 1 0.000000e+00 2.956220e-06 ; 3.083588e-01 -2.956220e-06 3.893983e-02 1.010048e-01 0.004395 0.009458 True md_ensemble 7 78 95 CA_GB1_9 C_GB1_11 1 7.345263e-03 6.285474e-05 ; 4.522603e-01 2.145936e-01 4.371112e-01 5.704821e-02 0.004395 0.009458 True md_ensemble 7 78 97 CA_GB1_9 O_GB1_11 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 98 CA_GB1_9 N_GB1_12 1 2.925118e-03 9.886494e-06 ; 3.873913e-01 2.163637e-01 9.677472e-01 1.220436e-01 0.004395 0.009458 True md_ensemble 7 78 99 CA_GB1_9 CA_GB1_12 1 4.569901e-03 2.877124e-05 ; 4.297099e-01 1.814659e-01 9.975347e-01 1.861713e-01 0.004395 0.007117 True md_ensemble 7 78 101 CA_GB1_9 CB_GB1_12 1 3.721174e-03 2.035450e-05 ; 4.197558e-01 1.700746e-01 6.769908e-01 1.740280e-01 0.004395 0.007860 True md_ensemble 7 78 102 CA_GB1_9 CG_GB1_12 1 4.879915e-03 5.608229e-05 ; 4.750459e-01 1.061546e-01 2.480890e-01 1.993244e-01 0.004395 0.007117 True md_ensemble 7 78 103 - CA_GB1_9 CD1_GB1_12 1 0.000000e+00 1.282160e-05 ; 3.484631e-01 -1.282160e-05 1.751425e-02 1.305183e-01 0.004395 0.012151 True md_ensemble 7 78 104 + CA_GB1_9 CD1_GB1_12 1 0.000000e+00 1.282144e-05 ; 3.484628e-01 -1.282144e-05 1.751425e-02 1.305183e-01 0.004395 0.012151 True md_ensemble 7 78 104 CA_GB1_9 CD2_GB1_12 1 2.583459e-03 1.580948e-05 ; 4.276804e-01 1.055421e-01 4.859495e-02 6.746075e-02 0.004395 0.012151 True md_ensemble 7 78 105 CA_GB1_9 C_GB1_12 1 3.442234e-03 1.000890e-05 ; 3.777963e-01 2.959608e-01 9.971843e-01 2.688301e-02 0.004395 0.009458 True md_ensemble 7 78 106 CA_GB1_9 O_GB1_12 1 6.761967e-04 3.881265e-07 ; 2.882815e-01 2.945186e-01 9.980989e-01 2.767091e-02 0.004395 0.009458 True md_ensemble 7 78 107 @@ -13409,190 +13409,190 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CA_GB1_9 CD_GB1_13 1 8.718918e-03 8.512854e-05 ; 4.623123e-01 2.232492e-01 2.616261e-01 2.399358e-02 0.004395 0.007860 True md_ensemble 7 78 113 CA_GB1_9 CE_GB1_13 1 1.056695e-02 1.225473e-04 ; 4.757649e-01 2.277904e-01 3.055589e-01 2.566147e-02 0.004395 0.007860 True md_ensemble 7 78 114 CA_GB1_9 NZ_GB1_13 1 6.789651e-03 4.495287e-05 ; 4.333296e-01 2.563761e-01 2.537044e-01 1.473187e-02 0.004395 0.009458 True md_ensemble 7 78 115 - CA_GB1_9 C_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 116 + CA_GB1_9 C_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 116 CA_GB1_9 O_GB1_13 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 117 - CA_GB1_9 N_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 118 - CA_GB1_9 C_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 121 + CA_GB1_9 N_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 118 + CA_GB1_9 C_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 121 CA_GB1_9 O_GB1_14 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 122 - CA_GB1_9 N_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 123 - CA_GB1_9 CD_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 128 - CA_GB1_9 OE1_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 129 - CA_GB1_9 OE2_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 130 - CA_GB1_9 C_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 131 + CA_GB1_9 N_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 123 + CA_GB1_9 CD_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 128 + CA_GB1_9 OE1_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 129 + CA_GB1_9 OE2_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 130 + CA_GB1_9 C_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 131 CA_GB1_9 O_GB1_15 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 132 - CA_GB1_9 N_GB1_16 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 133 - CA_GB1_9 OG1_GB1_16 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 137 - CA_GB1_9 C_GB1_16 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 139 + CA_GB1_9 N_GB1_16 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 133 + CA_GB1_9 OG1_GB1_16 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 137 + CA_GB1_9 C_GB1_16 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 139 CA_GB1_9 O_GB1_16 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 140 - CA_GB1_9 N_GB1_17 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 141 - CA_GB1_9 OG1_GB1_17 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 145 - CA_GB1_9 C_GB1_17 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 147 + CA_GB1_9 N_GB1_17 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 141 + CA_GB1_9 OG1_GB1_17 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 145 + CA_GB1_9 C_GB1_17 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 147 CA_GB1_9 O_GB1_17 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 148 - CA_GB1_9 N_GB1_18 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 149 - CA_GB1_9 OG1_GB1_18 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 153 - CA_GB1_9 C_GB1_18 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 155 + CA_GB1_9 N_GB1_18 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 149 + CA_GB1_9 OG1_GB1_18 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 153 + CA_GB1_9 C_GB1_18 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 155 CA_GB1_9 O_GB1_18 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 156 - CA_GB1_9 N_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 157 - CA_GB1_9 CD_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 162 - CA_GB1_9 OE1_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 163 - CA_GB1_9 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 164 - CA_GB1_9 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 165 + CA_GB1_9 N_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 157 + CA_GB1_9 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 162 + CA_GB1_9 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 163 + CA_GB1_9 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 164 + CA_GB1_9 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 165 CA_GB1_9 O_GB1_19 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 166 - CA_GB1_9 N_GB1_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 167 - CA_GB1_9 C_GB1_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 171 + CA_GB1_9 N_GB1_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 167 + CA_GB1_9 C_GB1_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 171 CA_GB1_9 O_GB1_20 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 172 - CA_GB1_9 N_GB1_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 173 - CA_GB1_9 C_GB1_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 179 + CA_GB1_9 N_GB1_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 173 + CA_GB1_9 C_GB1_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 179 CA_GB1_9 O_GB1_21 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 180 - CA_GB1_9 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 181 - CA_GB1_9 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 185 - CA_GB1_9 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 186 - CA_GB1_9 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 187 - CA_GB1_9 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 188 + CA_GB1_9 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 181 + CA_GB1_9 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 185 + CA_GB1_9 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 186 + CA_GB1_9 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 187 + CA_GB1_9 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 188 CA_GB1_9 O_GB1_22 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 189 - CA_GB1_9 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 190 - CA_GB1_9 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 194 + CA_GB1_9 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 190 + CA_GB1_9 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 194 CA_GB1_9 O_GB1_23 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 195 - CA_GB1_9 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 196 - CA_GB1_9 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 200 + CA_GB1_9 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 196 + CA_GB1_9 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 200 CA_GB1_9 O_GB1_24 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 201 - CA_GB1_9 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 202 - CA_GB1_9 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 206 - CA_GB1_9 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 208 + CA_GB1_9 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 202 + CA_GB1_9 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 206 + CA_GB1_9 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 208 CA_GB1_9 O_GB1_25 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 209 - CA_GB1_9 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 210 - CA_GB1_9 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 214 + CA_GB1_9 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 210 + CA_GB1_9 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 214 CA_GB1_9 O_GB1_26 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 215 - CA_GB1_9 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 216 - CA_GB1_9 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 221 - CA_GB1_9 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 222 - CA_GB1_9 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 223 - CA_GB1_9 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 224 + CA_GB1_9 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 216 + CA_GB1_9 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 221 + CA_GB1_9 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 222 + CA_GB1_9 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 223 + CA_GB1_9 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 224 CA_GB1_9 O_GB1_27 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 225 - CA_GB1_9 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 226 - CA_GB1_9 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 233 - CA_GB1_9 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 234 + CA_GB1_9 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 226 + CA_GB1_9 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 233 + CA_GB1_9 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 234 CA_GB1_9 O_GB1_28 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 235 - CA_GB1_9 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 236 - CA_GB1_9 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 242 + CA_GB1_9 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 236 + CA_GB1_9 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 242 CA_GB1_9 O_GB1_29 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 243 - CA_GB1_9 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 244 - CA_GB1_9 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 254 + CA_GB1_9 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 244 + CA_GB1_9 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 254 CA_GB1_9 O_GB1_30 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 255 - CA_GB1_9 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 256 - CA_GB1_9 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 263 - CA_GB1_9 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 264 + CA_GB1_9 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 256 + CA_GB1_9 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 263 + CA_GB1_9 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 264 CA_GB1_9 O_GB1_31 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 265 - CA_GB1_9 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 266 - CA_GB1_9 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 271 + CA_GB1_9 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 266 + CA_GB1_9 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 271 CA_GB1_9 OE1_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 272 - CA_GB1_9 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 273 - CA_GB1_9 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 274 + CA_GB1_9 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 273 + CA_GB1_9 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 274 CA_GB1_9 O_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 275 - CA_GB1_9 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 276 - CA_GB1_9 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 286 - CA_GB1_9 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 287 + CA_GB1_9 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 276 + CA_GB1_9 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 286 + CA_GB1_9 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 287 CA_GB1_9 O_GB1_33 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 288 - CA_GB1_9 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 289 - CA_GB1_9 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 293 + CA_GB1_9 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 289 + CA_GB1_9 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 293 CA_GB1_9 O_GB1_34 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 294 - CA_GB1_9 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 295 - CA_GB1_9 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 299 + CA_GB1_9 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 295 + CA_GB1_9 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 299 CA_GB1_9 OD1_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 300 - CA_GB1_9 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 301 - CA_GB1_9 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 302 + CA_GB1_9 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 301 + CA_GB1_9 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 302 CA_GB1_9 O_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 303 - CA_GB1_9 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 304 - CA_GB1_9 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 308 - CA_GB1_9 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 309 - CA_GB1_9 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 310 - CA_GB1_9 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 311 + CA_GB1_9 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 304 + CA_GB1_9 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 308 + CA_GB1_9 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 309 + CA_GB1_9 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 310 + CA_GB1_9 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 311 CA_GB1_9 O_GB1_36 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 312 - CA_GB1_9 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 313 - CA_GB1_9 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 317 + CA_GB1_9 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 313 + CA_GB1_9 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 317 CA_GB1_9 OD1_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 318 - CA_GB1_9 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 319 - CA_GB1_9 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 320 + CA_GB1_9 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 319 + CA_GB1_9 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 320 CA_GB1_9 O_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 321 - CA_GB1_9 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 322 - CA_GB1_9 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 325 + CA_GB1_9 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 322 + CA_GB1_9 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 325 CA_GB1_9 O_GB1_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 326 - CA_GB1_9 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 327 + CA_GB1_9 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 327 CA_GB1_9 CA_GB1_39 1 1.628838e-02 2.037610e-04 ; 4.818078e-01 3.255179e-01 6.221717e-01 1.000660e-04 0.004395 0.007117 True md_ensemble 7 78 329 CA_GB1_9 CB_GB1_39 1 8.747791e-03 5.579982e-05 ; 4.306480e-01 3.428499e-01 8.705834e-01 3.129499e-04 0.004395 0.007117 True md_ensemble 7 78 330 CA_GB1_9 CG1_GB1_39 1 2.586580e-03 4.845308e-06 ; 3.511014e-01 3.451999e-01 9.111556e-01 3.479920e-04 0.004395 0.012151 True md_ensemble 7 78 331 CA_GB1_9 CG2_GB1_39 1 2.934366e-03 6.312132e-06 ; 3.592888e-01 3.410299e-01 8.404081e-01 2.001200e-04 0.004395 0.012151 True md_ensemble 7 78 332 - CA_GB1_9 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 333 + CA_GB1_9 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 333 CA_GB1_9 O_GB1_39 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 334 - CA_GB1_9 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 335 - CA_GB1_9 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 339 - CA_GB1_9 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 340 - CA_GB1_9 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 341 - CA_GB1_9 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 342 + CA_GB1_9 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 335 + CA_GB1_9 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 339 + CA_GB1_9 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 340 + CA_GB1_9 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 341 + CA_GB1_9 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 342 CA_GB1_9 O_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 343 - CA_GB1_9 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 344 - CA_GB1_9 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 347 + CA_GB1_9 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 344 + CA_GB1_9 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 347 CA_GB1_9 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 348 - CA_GB1_9 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 349 - CA_GB1_9 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 354 - CA_GB1_9 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 355 - CA_GB1_9 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 356 - CA_GB1_9 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 357 + CA_GB1_9 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 349 + CA_GB1_9 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 354 + CA_GB1_9 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 355 + CA_GB1_9 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 356 + CA_GB1_9 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 357 CA_GB1_9 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 358 - CA_GB1_9 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 359 - CA_GB1_9 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 366 - CA_GB1_9 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 372 + CA_GB1_9 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 359 + CA_GB1_9 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 366 + CA_GB1_9 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 372 CA_GB1_9 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 373 - CA_GB1_9 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 374 - CA_GB1_9 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 378 - CA_GB1_9 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 380 + CA_GB1_9 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 374 + CA_GB1_9 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 378 + CA_GB1_9 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 380 CA_GB1_9 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 381 - CA_GB1_9 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 382 - CA_GB1_9 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 392 - CA_GB1_9 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 393 + CA_GB1_9 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 382 + CA_GB1_9 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 392 + CA_GB1_9 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 393 CA_GB1_9 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 394 - CA_GB1_9 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 395 - CA_GB1_9 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 399 - CA_GB1_9 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 400 - CA_GB1_9 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 401 - CA_GB1_9 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 402 + CA_GB1_9 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 395 + CA_GB1_9 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 399 + CA_GB1_9 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 400 + CA_GB1_9 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 401 + CA_GB1_9 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 402 CA_GB1_9 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 403 - CA_GB1_9 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 404 - CA_GB1_9 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 408 - CA_GB1_9 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 409 - CA_GB1_9 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 410 - CA_GB1_9 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 411 + CA_GB1_9 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 404 + CA_GB1_9 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 408 + CA_GB1_9 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 409 + CA_GB1_9 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 410 + CA_GB1_9 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 411 CA_GB1_9 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 412 - CA_GB1_9 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 413 - CA_GB1_9 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 417 + CA_GB1_9 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 413 + CA_GB1_9 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 417 CA_GB1_9 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 418 - CA_GB1_9 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 419 - CA_GB1_9 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 423 - CA_GB1_9 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 425 + CA_GB1_9 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 419 + CA_GB1_9 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 423 + CA_GB1_9 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 425 CA_GB1_9 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 426 - CA_GB1_9 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 427 - CA_GB1_9 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 434 - CA_GB1_9 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 435 + CA_GB1_9 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 427 + CA_GB1_9 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 434 + CA_GB1_9 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 435 CA_GB1_9 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 436 - CA_GB1_9 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 437 - CA_GB1_9 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 441 - CA_GB1_9 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 443 + CA_GB1_9 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 437 + CA_GB1_9 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 441 + CA_GB1_9 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 443 CA_GB1_9 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 444 - CA_GB1_9 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 445 - CA_GB1_9 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 455 + CA_GB1_9 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 445 + CA_GB1_9 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 455 CA_GB1_9 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 456 - CA_GB1_9 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 457 - CA_GB1_9 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 461 - CA_GB1_9 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 463 + CA_GB1_9 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 457 + CA_GB1_9 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 461 + CA_GB1_9 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 463 CA_GB1_9 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 464 - CA_GB1_9 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 465 + CA_GB1_9 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 465 CA_GB1_9 CG1_GB1_54 1 4.607137e-03 5.845024e-05 ; 4.829393e-01 9.078541e-02 6.575640e-03 2.999084e-04 0.004395 0.012151 True md_ensemble 7 78 469 CA_GB1_9 C_GB1_54 1 2.939703e-03 3.021904e-05 ; 4.662973e-01 7.149343e-02 4.524167e-03 0.000000e+00 0.004395 0.009458 True md_ensemble 7 78 471 CA_GB1_9 O_GB1_54 1 4.282352e-03 2.092382e-05 ; 4.119329e-01 2.191108e-01 7.910026e-02 0.000000e+00 0.004395 0.009458 True md_ensemble 7 78 472 - CA_GB1_9 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 473 + CA_GB1_9 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 473 CA_GB1_9 CA_GB1_55 1 1.966091e-02 2.882770e-04 ; 4.947294e-01 3.352256e-01 7.509812e-01 8.794249e-05 0.004395 0.007117 True md_ensemble 7 78 475 CA_GB1_9 CB_GB1_55 1 1.052061e-02 2.017575e-04 ; 5.173663e-01 1.371489e-01 1.615195e-02 9.985921e-05 0.004395 0.007117 True md_ensemble 7 78 476 - CA_GB1_9 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 477 + CA_GB1_9 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 477 CA_GB1_9 C_GB1_55 1 9.303044e-03 8.268697e-05 ; 4.551299e-01 2.616695e-01 1.804828e-01 1.000641e-04 0.004395 0.009458 True md_ensemble 7 78 479 CA_GB1_9 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 78 480 CA_GB1_9 N_GB1_56 1 4.601043e-03 1.536875e-05 ; 3.866313e-01 3.443610e-01 8.964608e-01 9.705521e-05 0.004395 0.009458 True md_ensemble 7 78 481 @@ -13605,23 +13605,23 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CA_GB1_9 C_GB1_56 1 5.989259e-03 3.695004e-05 ; 4.282595e-01 2.427008e-01 1.249563e-01 1.346744e-04 0.004395 0.009458 True md_ensemble 7 78 489 CA_GB1_9 O1_GB1_56 1 7.983842e-04 8.355410e-07 ; 3.186344e-01 1.907200e-01 4.562308e-02 2.098704e-05 0.004395 0.009458 True md_ensemble 7 78 490 CA_GB1_9 O2_GB1_56 1 7.983842e-04 8.355410e-07 ; 3.186344e-01 1.907200e-01 4.562308e-02 2.098704e-05 0.004395 0.009458 True md_ensemble 7 78 491 - C_GB1_9 CB_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 84 - C_GB1_9 CG_GB1_10 1 0.000000e+00 6.331586e-06 ; 3.285648e-01 -6.331586e-06 9.999435e-01 9.995686e-01 0.004395 0.001132 True md_ensemble 4 79 85 - C_GB1_9 CD_GB1_10 1 0.000000e+00 7.007814e-06 ; 3.313550e-01 -7.007814e-06 2.910974e-01 3.974847e-01 0.004395 0.001132 True md_ensemble 5 79 86 - C_GB1_9 CE_GB1_10 1 0.000000e+00 6.718791e-06 ; 3.301941e-01 -6.718791e-06 2.238664e-02 8.314320e-02 0.004395 0.001132 True md_ensemble 6 79 87 - C_GB1_9 O_GB1_10 1 0.000000e+00 6.897403e-07 ; 2.731401e-01 -6.897403e-07 9.844934e-01 8.185780e-01 0.004395 0.001132 True md_ensemble 4 79 90 - C_GB1_9 N_GB1_11 1 0.000000e+00 1.481320e-06 ; 2.911046e-01 -1.481320e-06 1.000000e+00 9.822108e-01 0.004395 0.001132 True md_ensemble 4 79 91 - C_GB1_9 CA_GB1_11 1 0.000000e+00 1.172628e-05 ; 3.458797e-01 -1.172628e-05 9.999492e-01 8.983866e-01 0.004395 0.001132 True md_ensemble 5 79 93 - C_GB1_9 CB_GB1_11 1 0.000000e+00 1.481566e-05 ; 3.526862e-01 -1.481566e-05 3.480947e-01 4.832322e-01 0.004395 0.001132 True md_ensemble 6 79 94 - C_GB1_9 OG1_GB1_11 1 0.000000e+00 1.242847e-06 ; 2.868775e-01 -1.242847e-06 6.549377e-03 9.489457e-02 0.004395 0.011584 True md_ensemble 7 79 95 - C_GB1_9 CG2_GB1_11 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 96 - C_GB1_9 C_GB1_11 1 0.000000e+00 1.171528e-06 ; 2.854682e-01 -1.171528e-06 7.692487e-01 2.200844e-01 0.004395 0.001132 True md_ensemble 6 79 97 + C_GB1_9 CB_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 84 + C_GB1_9 CG_GB1_10 1 0.000000e+00 6.331480e-06 ; 3.285643e-01 -6.331480e-06 9.999435e-01 9.995686e-01 0.004395 0.001132 True md_ensemble 4 79 85 + C_GB1_9 CD_GB1_10 1 0.000000e+00 7.007696e-06 ; 3.313546e-01 -7.007696e-06 2.910974e-01 3.974847e-01 0.004395 0.001132 True md_ensemble 5 79 86 + C_GB1_9 CE_GB1_10 1 0.000000e+00 6.718678e-06 ; 3.301936e-01 -6.718678e-06 2.238664e-02 8.314320e-02 0.004395 0.001132 True md_ensemble 6 79 87 + C_GB1_9 O_GB1_10 1 0.000000e+00 6.897371e-07 ; 2.731400e-01 -6.897371e-07 9.844934e-01 8.185780e-01 0.004395 0.001132 True md_ensemble 4 79 90 + C_GB1_9 N_GB1_11 1 0.000000e+00 1.481299e-06 ; 2.911043e-01 -1.481299e-06 1.000000e+00 9.822108e-01 0.004395 0.001132 True md_ensemble 4 79 91 + C_GB1_9 CA_GB1_11 1 0.000000e+00 1.172622e-05 ; 3.458795e-01 -1.172622e-05 9.999492e-01 8.983866e-01 0.004395 0.001132 True md_ensemble 5 79 93 + C_GB1_9 CB_GB1_11 1 0.000000e+00 1.481558e-05 ; 3.526860e-01 -1.481558e-05 3.480947e-01 4.832322e-01 0.004395 0.001132 True md_ensemble 6 79 94 + C_GB1_9 OG1_GB1_11 1 0.000000e+00 1.242828e-06 ; 2.868771e-01 -1.242828e-06 6.549377e-03 9.489457e-02 0.004395 0.011584 True md_ensemble 7 79 95 + C_GB1_9 CG2_GB1_11 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 96 + C_GB1_9 C_GB1_11 1 0.000000e+00 1.171507e-06 ; 2.854678e-01 -1.171507e-06 7.692487e-01 2.200844e-01 0.004395 0.001132 True md_ensemble 6 79 97 C_GB1_9 N_GB1_12 1 1.711148e-03 3.680533e-06 ; 3.592834e-01 1.988862e-01 9.711954e-01 2.104905e-01 0.004395 0.011584 True md_ensemble 7 79 99 C_GB1_9 CA_GB1_12 1 4.866865e-03 3.237823e-05 ; 4.336779e-01 1.828881e-01 9.943398e-01 2.151784e-01 0.004395 0.008482 True md_ensemble 7 79 101 - C_GB1_9 CB_GB1_12 1 0.000000e+00 6.320076e-06 ; 3.285150e-01 -6.320076e-06 1.660653e-01 1.638732e-01 0.004395 0.001132 True md_ensemble 7 79 102 - C_GB1_9 CG_GB1_12 1 0.000000e+00 1.502931e-05 ; 3.531072e-01 -1.502931e-05 7.236862e-03 1.587436e-01 0.004395 0.001132 True md_ensemble 7 79 103 - C_GB1_9 CD1_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 104 - C_GB1_9 CD2_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 105 + C_GB1_9 CB_GB1_12 1 0.000000e+00 6.319970e-06 ; 3.285145e-01 -6.319970e-06 1.660653e-01 1.638732e-01 0.004395 0.001132 True md_ensemble 7 79 102 + C_GB1_9 CG_GB1_12 1 0.000000e+00 1.502923e-05 ; 3.531071e-01 -1.502923e-05 7.236862e-03 1.587436e-01 0.004395 0.001132 True md_ensemble 7 79 103 + C_GB1_9 CD1_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 104 + C_GB1_9 CD2_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 105 C_GB1_9 C_GB1_12 1 4.077361e-03 1.396563e-05 ; 3.882519e-01 2.976033e-01 9.478491e-01 3.031537e-02 0.004395 0.011584 True md_ensemble 7 79 106 C_GB1_9 O_GB1_12 1 1.171664e-03 1.189448e-06 ; 3.170227e-01 2.885364e-01 9.820840e-01 3.744597e-02 0.004395 0.011584 True md_ensemble 7 79 107 C_GB1_9 N_GB1_13 1 2.631995e-03 1.048278e-05 ; 3.981364e-01 1.652090e-01 6.645183e-02 2.766473e-02 0.004395 0.011584 True md_ensemble 7 79 108 @@ -13631,80 +13631,80 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 C_GB1_9 CD_GB1_13 1 3.203711e-03 1.860572e-05 ; 4.239671e-01 1.379114e-01 4.254856e-01 2.937310e-02 0.004395 0.001132 True md_ensemble 7 79 113 C_GB1_9 CE_GB1_13 1 2.757958e-03 1.233519e-05 ; 4.059068e-01 1.541592e-01 4.681048e-01 2.358493e-02 0.004395 0.001132 True md_ensemble 7 79 114 C_GB1_9 NZ_GB1_13 1 2.051738e-03 3.490005e-06 ; 3.455021e-01 3.015489e-01 3.909666e-01 1.124164e-02 0.004395 0.011584 True md_ensemble 7 79 115 - C_GB1_9 CA_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 120 - C_GB1_9 CB_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 126 - C_GB1_9 CG_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 127 - C_GB1_9 CB_GB1_16 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 136 - C_GB1_9 CG2_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 138 - C_GB1_9 CB_GB1_17 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 144 - C_GB1_9 CG2_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 146 - C_GB1_9 CB_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 152 - C_GB1_9 CG2_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 154 - C_GB1_9 CB_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 160 - C_GB1_9 CG_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 161 - C_GB1_9 CB_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 170 - C_GB1_9 CB_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 176 - C_GB1_9 CG1_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 177 - C_GB1_9 CG2_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 178 - C_GB1_9 CB_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 184 - C_GB1_9 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 193 - C_GB1_9 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 199 - C_GB1_9 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 205 - C_GB1_9 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 207 - C_GB1_9 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 213 - C_GB1_9 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 219 - C_GB1_9 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 220 - C_GB1_9 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 229 - C_GB1_9 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 230 - C_GB1_9 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 231 - C_GB1_9 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 232 - C_GB1_9 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 239 - C_GB1_9 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 240 - C_GB1_9 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 241 - C_GB1_9 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 247 - C_GB1_9 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 259 - C_GB1_9 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 260 - C_GB1_9 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 261 - C_GB1_9 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 262 - C_GB1_9 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 269 - C_GB1_9 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 270 - C_GB1_9 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 279 - C_GB1_9 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 292 - C_GB1_9 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 298 - C_GB1_9 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 307 - C_GB1_9 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 316 - C_GB1_9 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 324 + C_GB1_9 CA_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 120 + C_GB1_9 CB_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 126 + C_GB1_9 CG_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 127 + C_GB1_9 CB_GB1_16 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 136 + C_GB1_9 CG2_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 138 + C_GB1_9 CB_GB1_17 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 144 + C_GB1_9 CG2_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 146 + C_GB1_9 CB_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 152 + C_GB1_9 CG2_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 154 + C_GB1_9 CB_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 160 + C_GB1_9 CG_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 161 + C_GB1_9 CB_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 170 + C_GB1_9 CB_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 176 + C_GB1_9 CG1_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 177 + C_GB1_9 CG2_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 178 + C_GB1_9 CB_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 184 + C_GB1_9 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 193 + C_GB1_9 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 199 + C_GB1_9 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 205 + C_GB1_9 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 207 + C_GB1_9 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 213 + C_GB1_9 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 219 + C_GB1_9 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 220 + C_GB1_9 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 229 + C_GB1_9 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 230 + C_GB1_9 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 231 + C_GB1_9 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 232 + C_GB1_9 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 239 + C_GB1_9 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 240 + C_GB1_9 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 241 + C_GB1_9 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 247 + C_GB1_9 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 259 + C_GB1_9 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 260 + C_GB1_9 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 261 + C_GB1_9 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 262 + C_GB1_9 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 269 + C_GB1_9 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 270 + C_GB1_9 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 279 + C_GB1_9 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 292 + C_GB1_9 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 298 + C_GB1_9 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 307 + C_GB1_9 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 316 + C_GB1_9 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 324 C_GB1_9 CA_GB1_39 1 5.445373e-03 7.588764e-05 ; 4.905582e-01 9.768418e-02 7.516432e-03 0.000000e+00 0.004395 0.008482 True md_ensemble 7 79 329 C_GB1_9 CB_GB1_39 1 1.104688e-02 1.546217e-04 ; 4.909137e-01 1.973098e-01 5.183909e-02 9.996848e-05 0.004395 0.001132 True md_ensemble 7 79 330 C_GB1_9 CG1_GB1_39 1 7.772454e-03 6.051129e-05 ; 4.451910e-01 2.495858e-01 1.427960e-01 1.760931e-04 0.004395 0.001132 True md_ensemble 7 79 331 C_GB1_9 CG2_GB1_39 1 7.122309e-03 4.911980e-05 ; 4.362874e-01 2.581815e-01 1.686840e-01 8.035633e-05 0.004395 0.001132 True md_ensemble 7 79 332 - C_GB1_9 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 338 - C_GB1_9 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 346 - C_GB1_9 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 352 - C_GB1_9 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 353 - C_GB1_9 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 362 - C_GB1_9 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 377 - C_GB1_9 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 379 - C_GB1_9 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 385 - C_GB1_9 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 398 - C_GB1_9 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 407 - C_GB1_9 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 416 - C_GB1_9 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 422 - C_GB1_9 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 424 - C_GB1_9 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 430 - C_GB1_9 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 431 - C_GB1_9 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 432 - C_GB1_9 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 433 - C_GB1_9 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 440 - C_GB1_9 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 442 - C_GB1_9 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 448 - C_GB1_9 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 460 - C_GB1_9 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 462 - C_GB1_9 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 468 - C_GB1_9 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 469 - C_GB1_9 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 470 - C_GB1_9 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 476 - C_GB1_9 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 478 + C_GB1_9 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 338 + C_GB1_9 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 346 + C_GB1_9 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 352 + C_GB1_9 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 353 + C_GB1_9 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 362 + C_GB1_9 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 377 + C_GB1_9 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 379 + C_GB1_9 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 385 + C_GB1_9 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 398 + C_GB1_9 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 407 + C_GB1_9 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 416 + C_GB1_9 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 422 + C_GB1_9 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 424 + C_GB1_9 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 430 + C_GB1_9 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 431 + C_GB1_9 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 432 + C_GB1_9 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 433 + C_GB1_9 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 440 + C_GB1_9 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 442 + C_GB1_9 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 448 + C_GB1_9 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 460 + C_GB1_9 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 462 + C_GB1_9 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 468 + C_GB1_9 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 469 + C_GB1_9 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 470 + C_GB1_9 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 476 + C_GB1_9 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 79 478 C_GB1_9 N_GB1_56 1 3.825617e-03 1.851341e-05 ; 4.112736e-01 1.976317e-01 5.216357e-02 9.290611e-05 0.004395 0.011584 True md_ensemble 7 79 481 C_GB1_9 CA_GB1_56 1 1.277572e-02 1.208041e-04 ; 4.598498e-01 3.377763e-01 7.890433e-01 9.993544e-05 0.004395 0.008482 True md_ensemble 7 79 483 C_GB1_9 CB_GB1_56 1 3.731664e-03 1.001304e-05 ; 3.727725e-01 3.476796e-01 9.560199e-01 9.996185e-05 0.004395 0.001132 True md_ensemble 7 79 484 @@ -13717,15 +13717,15 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 C_GB1_9 O2_GB1_56 1 1.088547e-03 1.716763e-06 ; 3.411750e-01 1.725535e-01 3.208189e-02 0.000000e+00 0.004395 0.011584 True md_ensemble 7 79 491 O_GB1_9 O_GB1_9 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 80 80 O_GB1_9 H_GB1_10 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 80 82 - O_GB1_9 CB_GB1_10 1 0.000000e+00 2.015592e-06 ; 2.986725e-01 -2.015592e-06 1.000000e+00 9.999679e-01 0.004395 0.001132 True md_ensemble 4 80 84 - O_GB1_9 CG_GB1_10 1 0.000000e+00 2.183749e-06 ; 3.006735e-01 -2.183749e-06 5.421369e-01 6.255303e-01 0.004395 0.001132 True md_ensemble 5 80 85 - O_GB1_9 CD_GB1_10 1 0.000000e+00 2.070708e-06 ; 2.993447e-01 -2.070708e-06 1.027819e-01 1.300940e-01 0.004395 0.001132 True md_ensemble 6 80 86 + O_GB1_9 CB_GB1_10 1 0.000000e+00 2.015584e-06 ; 2.986724e-01 -2.015584e-06 1.000000e+00 9.999679e-01 0.004395 0.001132 True md_ensemble 4 80 84 + O_GB1_9 CG_GB1_10 1 0.000000e+00 2.183741e-06 ; 3.006735e-01 -2.183741e-06 5.421369e-01 6.255303e-01 0.004395 0.001132 True md_ensemble 5 80 85 + O_GB1_9 CD_GB1_10 1 0.000000e+00 2.070700e-06 ; 2.993446e-01 -2.070700e-06 1.027819e-01 1.300940e-01 0.004395 0.001132 True md_ensemble 6 80 86 O_GB1_9 CE_GB1_10 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 3.493052e-03 3.415336e-02 0.004395 0.007862 True md_ensemble 7 80 87 - O_GB1_9 C_GB1_10 1 0.000000e+00 8.223257e-07 ; 2.771716e-01 -8.223257e-07 1.000000e+00 9.944166e-01 0.004395 0.001132 True md_ensemble 4 80 89 + O_GB1_9 C_GB1_10 1 0.000000e+00 8.223219e-07 ; 2.771714e-01 -8.223219e-07 1.000000e+00 9.944166e-01 0.004395 0.001132 True md_ensemble 4 80 89 O_GB1_9 O_GB1_10 1 0.000000e+00 1.217583e-06 ; 2.863869e-01 -1.217583e-06 9.952248e-01 8.069466e-01 0.004395 0.001132 True md_ensemble 5 80 90 O_GB1_9 N_GB1_11 1 0.000000e+00 1.361169e-06 ; 2.890598e-01 -1.361169e-06 9.970613e-01 9.045071e-01 0.004395 0.001132 True md_ensemble 5 80 91 - O_GB1_9 H_GB1_11 1 0.000000e+00 1.769766e-08 ; 2.012896e-01 -1.769766e-08 6.535401e-02 2.059464e-01 0.004395 0.001132 True md_ensemble 6 80 92 - O_GB1_9 CA_GB1_11 1 0.000000e+00 3.120110e-06 ; 3.097485e-01 -3.120110e-06 8.148253e-01 5.660264e-01 0.004395 0.001132 True md_ensemble 6 80 93 + O_GB1_9 H_GB1_11 1 0.000000e+00 1.769794e-08 ; 2.012899e-01 -1.769794e-08 6.535401e-02 2.059464e-01 0.004395 0.001132 True md_ensemble 6 80 92 + O_GB1_9 CA_GB1_11 1 0.000000e+00 3.120134e-06 ; 3.097487e-01 -3.120134e-06 8.148253e-01 5.660264e-01 0.004395 0.001132 True md_ensemble 6 80 93 O_GB1_9 CB_GB1_11 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 2.051935e-03 1.735671e-01 0.004395 0.007862 True md_ensemble 7 80 94 O_GB1_9 CG2_GB1_11 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 80 96 O_GB1_9 C_GB1_11 1 1.647582e-03 4.085745e-06 ; 3.679064e-01 1.660974e-01 2.536779e-01 1.038072e-01 0.004395 0.011584 True md_ensemble 7 80 97 @@ -13733,7 +13733,7 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 O_GB1_9 N_GB1_12 1 6.735363e-04 6.148575e-07 ; 3.114600e-01 1.844538e-01 7.880260e-01 2.259257e-01 0.004395 0.011584 True md_ensemble 7 80 99 O_GB1_9 H_GB1_12 1 1.272006e-05 2.994873e-10 ; 1.692966e-01 1.350641e-01 8.264338e-02 1.103922e-01 0.004395 0.020721 True md_ensemble 7 80 100 O_GB1_9 CA_GB1_12 1 2.487329e-03 9.453036e-06 ; 3.950387e-01 1.636195e-01 5.963009e-01 1.874730e-01 0.004395 0.008483 True md_ensemble 7 80 101 - O_GB1_9 CB_GB1_12 1 0.000000e+00 2.311758e-06 ; 3.021043e-01 -2.311758e-06 4.766607e-03 1.516677e-01 0.004395 0.007862 True md_ensemble 7 80 102 + O_GB1_9 CB_GB1_12 1 0.000000e+00 2.311750e-06 ; 3.021042e-01 -2.311750e-06 4.766607e-03 1.516677e-01 0.004395 0.007862 True md_ensemble 7 80 102 O_GB1_9 CG_GB1_12 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 2.648450e-04 1.395092e-01 0.004395 0.007862 True md_ensemble 7 80 103 O_GB1_9 CD1_GB1_12 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 80 104 O_GB1_9 CD2_GB1_12 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 80 105 @@ -13935,150 +13935,150 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 O_GB1_9 OE2_GB1_56 1 4.195126e-03 1.893616e-05 ; 4.065287e-01 2.323475e-01 1.022360e-01 1.120341e-04 0.004395 0.001132 True md_ensemble 7 80 488 O_GB1_9 O1_GB1_56 1 1.547103e-03 2.942111e-06 ; 3.519843e-01 2.033854e-01 5.831789e-02 0.000000e+00 0.004395 0.001132 True md_ensemble 7 80 490 O_GB1_9 O2_GB1_56 1 1.547103e-03 2.942111e-06 ; 3.519843e-01 2.033854e-01 5.831789e-02 0.000000e+00 0.004395 0.001132 True md_ensemble 7 80 491 - N_GB1_10 CB_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 84 - N_GB1_10 CG_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 85 - N_GB1_10 CD_GB1_10 1 0.000000e+00 3.567746e-06 ; 3.132284e-01 -3.567746e-06 9.841493e-01 9.546788e-01 0.004395 0.001132 True md_ensemble 4 81 86 - N_GB1_10 CE_GB1_10 1 0.000000e+00 3.678492e-06 ; 3.140274e-01 -3.678492e-06 2.839344e-01 2.845901e-01 0.004395 0.001132 True md_ensemble 5 81 87 - N_GB1_10 NZ_GB1_10 1 0.000000e+00 8.800435e-07 ; 2.787428e-01 -8.800435e-07 1.636363e-02 2.178978e-02 0.004395 0.001132 True md_ensemble 6 81 88 - N_GB1_10 CA_GB1_11 1 0.000000e+00 7.574986e-06 ; 3.335110e-01 -7.574986e-06 9.999979e-01 9.999967e-01 0.004395 0.001132 True md_ensemble 4 81 93 - N_GB1_10 CB_GB1_11 1 0.000000e+00 5.978107e-06 ; 3.269956e-01 -5.978107e-06 9.329043e-01 7.220939e-01 0.004395 0.001132 True md_ensemble 5 81 94 - N_GB1_10 OG1_GB1_11 1 0.000000e+00 6.905553e-07 ; 2.731670e-01 -6.905553e-07 3.084401e-02 7.277162e-02 0.004395 0.001132 True md_ensemble 6 81 95 - N_GB1_10 CG2_GB1_11 1 0.000000e+00 3.226363e-06 ; 3.106141e-01 -3.226363e-06 2.017985e-02 1.964286e-01 0.004395 0.001132 True md_ensemble 6 81 96 + N_GB1_10 CB_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 84 + N_GB1_10 CG_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 85 + N_GB1_10 CD_GB1_10 1 0.000000e+00 3.567699e-06 ; 3.132281e-01 -3.567699e-06 9.841493e-01 9.546788e-01 0.004395 0.001132 True md_ensemble 4 81 86 + N_GB1_10 CE_GB1_10 1 0.000000e+00 3.678444e-06 ; 3.140270e-01 -3.678444e-06 2.839344e-01 2.845901e-01 0.004395 0.001132 True md_ensemble 5 81 87 + N_GB1_10 NZ_GB1_10 1 0.000000e+00 8.800343e-07 ; 2.787426e-01 -8.800343e-07 1.636363e-02 2.178978e-02 0.004395 0.001132 True md_ensemble 6 81 88 + N_GB1_10 CA_GB1_11 1 0.000000e+00 7.574974e-06 ; 3.335109e-01 -7.574974e-06 9.999979e-01 9.999967e-01 0.004395 0.001132 True md_ensemble 4 81 93 + N_GB1_10 CB_GB1_11 1 0.000000e+00 5.978098e-06 ; 3.269956e-01 -5.978098e-06 9.329043e-01 7.220939e-01 0.004395 0.001132 True md_ensemble 5 81 94 + N_GB1_10 OG1_GB1_11 1 0.000000e+00 6.905468e-07 ; 2.731667e-01 -6.905468e-07 3.084401e-02 7.277162e-02 0.004395 0.001132 True md_ensemble 6 81 95 + N_GB1_10 CG2_GB1_11 1 0.000000e+00 3.226333e-06 ; 3.106138e-01 -3.226333e-06 2.017985e-02 1.964286e-01 0.004395 0.001132 True md_ensemble 6 81 96 N_GB1_10 C_GB1_11 1 1.466733e-03 6.604699e-06 ; 4.063656e-01 8.143093e-02 6.102157e-01 1.258925e-01 0.004395 0.001132 True md_ensemble 5 81 97 N_GB1_10 O_GB1_11 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 7.072125e-04 1.668391e-01 0.004395 0.001132 True md_ensemble 6 81 98 N_GB1_10 N_GB1_12 1 1.018215e-03 2.746274e-06 ; 3.730932e-01 9.437900e-02 7.891390e-01 1.266699e-01 0.004395 0.001132 True md_ensemble 6 81 99 N_GB1_10 CA_GB1_12 1 8.425793e-03 8.212590e-05 ; 4.621804e-01 2.161133e-01 5.600462e-01 6.365064e-02 0.004395 0.008482 True md_ensemble 7 81 101 - N_GB1_10 CB_GB1_12 1 0.000000e+00 3.680880e-06 ; 3.140443e-01 -3.680880e-06 1.886946e-02 2.017464e-02 0.004395 0.001132 True md_ensemble 7 81 102 - N_GB1_10 CG_GB1_12 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 103 - N_GB1_10 CD1_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 104 - N_GB1_10 CD2_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 105 + N_GB1_10 CB_GB1_12 1 0.000000e+00 3.680831e-06 ; 3.140440e-01 -3.680831e-06 1.886946e-02 2.017464e-02 0.004395 0.001132 True md_ensemble 7 81 102 + N_GB1_10 CG_GB1_12 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 103 + N_GB1_10 CD1_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 104 + N_GB1_10 CD2_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 105 N_GB1_10 C_GB1_12 1 2.894967e-03 1.339610e-05 ; 4.082151e-01 1.564044e-01 2.345942e-02 1.528728e-03 0.004395 0.011584 True md_ensemble 7 81 106 N_GB1_10 O_GB1_12 1 3.520144e-03 1.072063e-05 ; 3.807238e-01 2.889618e-01 4.812243e-01 1.819814e-02 0.004395 0.011584 True md_ensemble 7 81 107 N_GB1_10 N_GB1_13 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.386500e-05 1.142436e-03 0.004395 0.001132 True md_ensemble 7 81 108 - N_GB1_10 CB_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 111 - N_GB1_10 CG_GB1_13 1 0.000000e+00 3.608636e-06 ; 3.135260e-01 -3.608636e-06 2.679125e-02 8.444215e-03 0.004395 0.001132 True md_ensemble 7 81 112 - N_GB1_10 CD_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 113 + N_GB1_10 CB_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 111 + N_GB1_10 CG_GB1_13 1 0.000000e+00 3.608589e-06 ; 3.135257e-01 -3.608589e-06 2.679125e-02 8.444215e-03 0.004395 0.001132 True md_ensemble 7 81 112 + N_GB1_10 CD_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 113 N_GB1_10 CE_GB1_13 1 2.802739e-03 1.895776e-05 ; 4.348780e-01 1.035901e-01 4.847870e-02 6.509263e-03 0.004395 0.001132 True md_ensemble 7 81 114 N_GB1_10 NZ_GB1_13 1 2.781995e-03 9.611077e-06 ; 3.888087e-01 2.013170e-01 1.096037e-01 2.213826e-03 0.004395 0.001132 True md_ensemble 7 81 115 N_GB1_10 N_GB1_14 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.458262e-04 0.004395 0.001132 True md_ensemble 7 81 118 - N_GB1_10 CA_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 120 + N_GB1_10 CA_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 120 N_GB1_10 N_GB1_15 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.109093e-04 0.004395 0.001132 True md_ensemble 7 81 123 - N_GB1_10 CB_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 126 - N_GB1_10 CG_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 127 + N_GB1_10 CB_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 126 + N_GB1_10 CG_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 127 N_GB1_10 N_GB1_16 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 81 133 - N_GB1_10 CB_GB1_16 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 136 - N_GB1_10 CG2_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 138 + N_GB1_10 CB_GB1_16 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 136 + N_GB1_10 CG2_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 138 N_GB1_10 N_GB1_17 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 81 141 - N_GB1_10 CB_GB1_17 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 144 - N_GB1_10 CG2_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 146 + N_GB1_10 CB_GB1_17 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 144 + N_GB1_10 CG2_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 146 N_GB1_10 N_GB1_18 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 81 149 - N_GB1_10 CB_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 152 - N_GB1_10 CG2_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 154 + N_GB1_10 CB_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 152 + N_GB1_10 CG2_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 154 N_GB1_10 N_GB1_19 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 81 157 - N_GB1_10 CB_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 160 - N_GB1_10 CG_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 161 + N_GB1_10 CB_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 160 + N_GB1_10 CG_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 161 N_GB1_10 N_GB1_20 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 81 167 - N_GB1_10 CB_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 170 + N_GB1_10 CB_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 170 N_GB1_10 N_GB1_21 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 81 173 - N_GB1_10 CB_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 176 - N_GB1_10 CG1_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 177 - N_GB1_10 CG2_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 178 + N_GB1_10 CB_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 176 + N_GB1_10 CG1_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 177 + N_GB1_10 CG2_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 178 N_GB1_10 N_GB1_22 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 81 181 - N_GB1_10 CB_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 184 + N_GB1_10 CB_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 184 N_GB1_10 N_GB1_23 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 81 190 - N_GB1_10 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 193 + N_GB1_10 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 193 N_GB1_10 N_GB1_24 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 81 196 - N_GB1_10 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 199 + N_GB1_10 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 199 N_GB1_10 N_GB1_25 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 81 202 - N_GB1_10 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 205 - N_GB1_10 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 207 + N_GB1_10 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 205 + N_GB1_10 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 207 N_GB1_10 N_GB1_26 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 81 210 - N_GB1_10 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 213 + N_GB1_10 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 213 N_GB1_10 N_GB1_27 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 81 216 - N_GB1_10 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 219 - N_GB1_10 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 220 + N_GB1_10 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 219 + N_GB1_10 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 220 N_GB1_10 N_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 81 226 - N_GB1_10 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 229 - N_GB1_10 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 230 - N_GB1_10 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 231 - N_GB1_10 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 232 + N_GB1_10 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 229 + N_GB1_10 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 230 + N_GB1_10 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 231 + N_GB1_10 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 232 N_GB1_10 NZ_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 7.883603e-05 0.004395 0.001132 True md_ensemble 7 81 233 N_GB1_10 N_GB1_29 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 81 236 - N_GB1_10 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 239 - N_GB1_10 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 240 - N_GB1_10 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 241 + N_GB1_10 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 239 + N_GB1_10 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 240 + N_GB1_10 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 241 N_GB1_10 N_GB1_30 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 81 244 - N_GB1_10 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 247 + N_GB1_10 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 247 N_GB1_10 N_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 81 256 - N_GB1_10 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 259 - N_GB1_10 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 260 - N_GB1_10 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 261 - N_GB1_10 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 262 + N_GB1_10 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 259 + N_GB1_10 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 260 + N_GB1_10 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 261 + N_GB1_10 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 262 N_GB1_10 NZ_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 9.471700e-05 0.004395 0.001132 True md_ensemble 7 81 263 N_GB1_10 N_GB1_32 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 81 266 - N_GB1_10 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 269 - N_GB1_10 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 270 + N_GB1_10 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 269 + N_GB1_10 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 270 N_GB1_10 N_GB1_33 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 81 276 - N_GB1_10 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 279 + N_GB1_10 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 279 N_GB1_10 N_GB1_34 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 81 289 - N_GB1_10 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 292 + N_GB1_10 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 292 N_GB1_10 N_GB1_35 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 81 295 - N_GB1_10 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 298 + N_GB1_10 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 298 N_GB1_10 N_GB1_36 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 81 304 - N_GB1_10 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 307 + N_GB1_10 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 307 N_GB1_10 N_GB1_37 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 81 313 - N_GB1_10 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 316 + N_GB1_10 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 316 N_GB1_10 N_GB1_38 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 81 322 - N_GB1_10 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 324 + N_GB1_10 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 324 N_GB1_10 N_GB1_39 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 81 327 N_GB1_10 CA_GB1_39 1 4.500857e-03 4.274287e-05 ; 4.601804e-01 1.184859e-01 1.124916e-02 0.000000e+00 0.004395 0.008482 True md_ensemble 7 81 329 N_GB1_10 CB_GB1_39 1 4.151985e-03 4.375713e-05 ; 4.682368e-01 9.849240e-02 7.635110e-03 0.000000e+00 0.004395 0.001132 True md_ensemble 7 81 330 N_GB1_10 CG1_GB1_39 1 2.655874e-03 1.704208e-05 ; 4.310747e-01 1.034742e-01 8.409152e-03 0.000000e+00 0.004395 0.001132 True md_ensemble 7 81 331 N_GB1_10 CG2_GB1_39 1 3.728768e-03 1.918977e-05 ; 4.155125e-01 1.811344e-01 3.788728e-02 0.000000e+00 0.004395 0.001132 True md_ensemble 7 81 332 N_GB1_10 N_GB1_40 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 81 335 - N_GB1_10 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 338 + N_GB1_10 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 338 N_GB1_10 N_GB1_41 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 81 344 - N_GB1_10 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 346 + N_GB1_10 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 346 N_GB1_10 N_GB1_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 81 349 - N_GB1_10 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 352 - N_GB1_10 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 353 + N_GB1_10 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 352 + N_GB1_10 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 353 N_GB1_10 N_GB1_43 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 81 359 - N_GB1_10 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 362 + N_GB1_10 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 362 N_GB1_10 N_GB1_44 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 81 374 - N_GB1_10 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 377 - N_GB1_10 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 379 + N_GB1_10 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 377 + N_GB1_10 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 379 N_GB1_10 N_GB1_45 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 81 382 - N_GB1_10 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 385 + N_GB1_10 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 385 N_GB1_10 N_GB1_46 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 81 395 - N_GB1_10 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 398 + N_GB1_10 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 398 N_GB1_10 N_GB1_47 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 81 404 - N_GB1_10 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 407 + N_GB1_10 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 407 N_GB1_10 N_GB1_48 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 81 413 - N_GB1_10 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 416 + N_GB1_10 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 416 N_GB1_10 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 81 419 - N_GB1_10 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 422 - N_GB1_10 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 424 + N_GB1_10 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 422 + N_GB1_10 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 424 N_GB1_10 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 81 427 - N_GB1_10 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 430 - N_GB1_10 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 431 - N_GB1_10 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 432 - N_GB1_10 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 433 + N_GB1_10 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 430 + N_GB1_10 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 431 + N_GB1_10 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 432 + N_GB1_10 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 433 N_GB1_10 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 81 434 N_GB1_10 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 81 437 - N_GB1_10 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 440 - N_GB1_10 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 442 + N_GB1_10 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 440 + N_GB1_10 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 442 N_GB1_10 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 81 445 - N_GB1_10 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 448 + N_GB1_10 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 448 N_GB1_10 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 81 457 - N_GB1_10 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 460 - N_GB1_10 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 462 + N_GB1_10 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 460 + N_GB1_10 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 462 N_GB1_10 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 81 465 - N_GB1_10 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 468 - N_GB1_10 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 469 - N_GB1_10 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 470 + N_GB1_10 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 468 + N_GB1_10 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 469 + N_GB1_10 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 470 N_GB1_10 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 81 473 - N_GB1_10 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 476 - N_GB1_10 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 478 + N_GB1_10 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 476 + N_GB1_10 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 81 478 N_GB1_10 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.028150e-04 0.000000e+00 0.004395 0.001132 True md_ensemble 7 81 481 N_GB1_10 CA_GB1_56 1 1.038402e-02 8.472573e-05 ; 4.486851e-01 3.181673e-01 5.395514e-01 0.000000e+00 0.004395 0.008482 True md_ensemble 7 81 483 N_GB1_10 CB_GB1_56 1 2.292443e-03 3.812010e-06 ; 3.441987e-01 3.446537e-01 9.015615e-01 0.000000e+00 0.004395 0.001132 True md_ensemble 7 81 484 @@ -14219,20 +14219,20 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 H_GB1_10 OE2_GB1_56 1 1.009675e-05 8.558770e-11 ; 1.427924e-01 2.977775e-01 3.634062e-01 1.485396e-07 0.004395 0.020721 True md_ensemble 7 82 488 H_GB1_10 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 82 490 H_GB1_10 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 82 491 - CA_GB1_10 CE_GB1_10 1 0.000000e+00 3.181343e-05 ; 3.758771e-01 -3.181343e-05 1.000000e+00 9.999929e-01 0.004395 0.001132 True md_ensemble 4 83 87 - CA_GB1_10 NZ_GB1_10 1 0.000000e+00 7.332775e-06 ; 3.326090e-01 -7.332775e-06 4.879797e-01 4.560035e-01 0.004395 0.001132 True md_ensemble 5 83 88 - CA_GB1_10 CB_GB1_11 1 0.000000e+00 6.555601e-05 ; 3.992204e-01 -6.555601e-05 9.999939e-01 9.999980e-01 0.004395 0.001132 True md_ensemble 4 83 94 - CA_GB1_10 OG1_GB1_11 1 0.000000e+00 4.901450e-06 ; 3.216291e-01 -4.901450e-06 8.777974e-01 7.323431e-01 0.004395 0.001132 True md_ensemble 5 83 95 - CA_GB1_10 CG2_GB1_11 1 0.000000e+00 2.731268e-05 ; 3.711294e-01 -2.731268e-05 5.967829e-01 7.473760e-01 0.004395 0.001132 True md_ensemble 5 83 96 - CA_GB1_10 C_GB1_11 1 0.000000e+00 1.305187e-05 ; 3.489804e-01 -1.305187e-05 9.999987e-01 9.999994e-01 0.004395 0.001132 True md_ensemble 4 83 97 - CA_GB1_10 O_GB1_11 1 0.000000e+00 5.846640e-06 ; 3.263903e-01 -5.846640e-06 3.518754e-02 4.428311e-01 0.004395 0.001132 True md_ensemble 5 83 98 - CA_GB1_10 N_GB1_12 1 0.000000e+00 4.738533e-06 ; 3.207244e-01 -4.738533e-06 9.991198e-01 6.246691e-01 0.004395 0.001132 True md_ensemble 5 83 99 - CA_GB1_10 CA_GB1_12 1 0.000000e+00 4.024878e-05 ; 3.833167e-01 -4.024878e-05 9.972022e-01 6.111649e-01 0.004395 0.001132 True md_ensemble 6 83 101 - CA_GB1_10 CB_GB1_12 1 0.000000e+00 3.866476e-05 ; 3.820363e-01 -3.866476e-05 3.198199e-02 2.473330e-01 0.004395 0.007117 True md_ensemble 7 83 102 + CA_GB1_10 CE_GB1_10 1 0.000000e+00 3.181329e-05 ; 3.758770e-01 -3.181329e-05 1.000000e+00 9.999929e-01 0.004395 0.001132 True md_ensemble 4 83 87 + CA_GB1_10 NZ_GB1_10 1 0.000000e+00 7.332764e-06 ; 3.326090e-01 -7.332764e-06 4.879797e-01 4.560035e-01 0.004395 0.001132 True md_ensemble 5 83 88 + CA_GB1_10 CB_GB1_11 1 0.000000e+00 6.555649e-05 ; 3.992206e-01 -6.555649e-05 9.999939e-01 9.999980e-01 0.004395 0.001132 True md_ensemble 4 83 94 + CA_GB1_10 OG1_GB1_11 1 0.000000e+00 4.901434e-06 ; 3.216290e-01 -4.901434e-06 8.777974e-01 7.323431e-01 0.004395 0.001132 True md_ensemble 5 83 95 + CA_GB1_10 CG2_GB1_11 1 0.000000e+00 2.731266e-05 ; 3.711294e-01 -2.731266e-05 5.967829e-01 7.473760e-01 0.004395 0.001132 True md_ensemble 5 83 96 + CA_GB1_10 C_GB1_11 1 0.000000e+00 1.305181e-05 ; 3.489803e-01 -1.305181e-05 9.999987e-01 9.999994e-01 0.004395 0.001132 True md_ensemble 4 83 97 + CA_GB1_10 O_GB1_11 1 0.000000e+00 5.846686e-06 ; 3.263905e-01 -5.846686e-06 3.518754e-02 4.428311e-01 0.004395 0.001132 True md_ensemble 5 83 98 + CA_GB1_10 N_GB1_12 1 0.000000e+00 4.738525e-06 ; 3.207244e-01 -4.738525e-06 9.991198e-01 6.246691e-01 0.004395 0.001132 True md_ensemble 5 83 99 + CA_GB1_10 CA_GB1_12 1 0.000000e+00 4.024908e-05 ; 3.833169e-01 -4.024908e-05 9.972022e-01 6.111649e-01 0.004395 0.001132 True md_ensemble 6 83 101 + CA_GB1_10 CB_GB1_12 1 0.000000e+00 3.866459e-05 ; 3.820361e-01 -3.866459e-05 3.198199e-02 2.473330e-01 0.004395 0.007117 True md_ensemble 7 83 102 CA_GB1_10 C_GB1_12 1 6.887675e-03 8.856296e-05 ; 4.840199e-01 1.339162e-01 1.696224e-01 9.483993e-02 0.004395 0.008482 True md_ensemble 7 83 106 CA_GB1_10 O_GB1_12 1 2.704799e-03 1.886359e-05 ; 4.371007e-01 9.695847e-02 8.534890e-02 9.768366e-02 0.004395 0.008483 True md_ensemble 7 83 107 - CA_GB1_10 CA_GB1_13 1 0.000000e+00 7.352944e-05 ; 4.030573e-01 -7.352944e-05 2.850775e-02 1.501401e-01 0.004395 0.006476 True md_ensemble 7 83 110 - CA_GB1_10 CB_GB1_13 1 0.000000e+00 3.488349e-05 ; 3.787739e-01 -3.488349e-05 2.246252e-02 1.189567e-01 0.004395 0.007117 True md_ensemble 7 83 111 + CA_GB1_10 CA_GB1_13 1 0.000000e+00 7.352998e-05 ; 4.030575e-01 -7.352998e-05 2.850775e-02 1.501401e-01 0.004395 0.006476 True md_ensemble 7 83 110 + CA_GB1_10 CB_GB1_13 1 0.000000e+00 3.488334e-05 ; 3.787737e-01 -3.488334e-05 2.246252e-02 1.189567e-01 0.004395 0.007117 True md_ensemble 7 83 111 CA_GB1_10 CG_GB1_13 1 8.911648e-03 1.281027e-04 ; 4.930982e-01 1.549878e-01 3.331283e-01 1.038694e-01 0.004395 0.007117 True md_ensemble 7 83 112 CA_GB1_10 CD_GB1_13 1 9.820385e-03 1.521602e-04 ; 4.993006e-01 1.584513e-01 2.660493e-01 7.756798e-02 0.004395 0.007117 True md_ensemble 7 83 113 CA_GB1_10 CE_GB1_13 1 6.159258e-03 4.714929e-05 ; 4.439402e-01 2.011508e-01 4.645733e-01 5.920136e-02 0.004395 0.007117 True md_ensemble 7 83 114 @@ -14248,203 +14248,203 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CA_GB1_10 C_GB1_56 1 1.188534e-02 1.546369e-04 ; 4.849723e-01 2.283757e-01 9.466073e-02 0.000000e+00 0.004395 0.008482 True md_ensemble 7 83 489 CA_GB1_10 O1_GB1_56 1 4.509951e-03 2.195195e-05 ; 4.116709e-01 2.316384e-01 1.008406e-01 0.000000e+00 0.004395 0.008483 True md_ensemble 7 83 490 CA_GB1_10 O2_GB1_56 1 4.509951e-03 2.195195e-05 ; 4.116709e-01 2.316384e-01 1.008406e-01 0.000000e+00 0.004395 0.008483 True md_ensemble 7 83 491 - CB_GB1_10 NZ_GB1_10 1 0.000000e+00 3.691654e-06 ; 3.141208e-01 -3.691654e-06 9.518803e-01 9.561165e-01 0.004395 0.001132 True md_ensemble 4 84 88 - CB_GB1_10 C_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 89 + CB_GB1_10 NZ_GB1_10 1 0.000000e+00 3.691606e-06 ; 3.141205e-01 -3.691606e-06 9.518803e-01 9.561165e-01 0.004395 0.001132 True md_ensemble 4 84 88 + CB_GB1_10 C_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 89 CB_GB1_10 O_GB1_10 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 90 - CB_GB1_10 N_GB1_11 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 91 - CB_GB1_10 CA_GB1_11 1 0.000000e+00 3.181320e-05 ; 3.758769e-01 -3.181320e-05 9.999991e-01 9.999850e-01 0.004395 0.001132 True md_ensemble 4 84 93 - CB_GB1_10 CB_GB1_11 1 0.000000e+00 2.919252e-05 ; 3.731937e-01 -2.919252e-05 9.999410e-01 9.175509e-01 0.004395 0.001132 True md_ensemble 5 84 94 - CB_GB1_10 OG1_GB1_11 1 0.000000e+00 2.022779e-06 ; 2.987611e-01 -2.022779e-06 4.034930e-01 1.301949e-01 0.004395 0.001132 True md_ensemble 6 84 95 - CB_GB1_10 CG2_GB1_11 1 0.000000e+00 9.074496e-06 ; 3.385688e-01 -9.074496e-06 5.406683e-01 3.283980e-01 0.004395 0.001132 True md_ensemble 6 84 96 - CB_GB1_10 C_GB1_11 1 0.000000e+00 7.726646e-06 ; 3.340624e-01 -7.726646e-06 3.116979e-02 2.510457e-01 0.004395 0.001132 True md_ensemble 5 84 97 + CB_GB1_10 N_GB1_11 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 91 + CB_GB1_10 CA_GB1_11 1 0.000000e+00 3.181307e-05 ; 3.758768e-01 -3.181307e-05 9.999991e-01 9.999850e-01 0.004395 0.001132 True md_ensemble 4 84 93 + CB_GB1_10 CB_GB1_11 1 0.000000e+00 2.919240e-05 ; 3.731936e-01 -2.919240e-05 9.999410e-01 9.175509e-01 0.004395 0.001132 True md_ensemble 5 84 94 + CB_GB1_10 OG1_GB1_11 1 0.000000e+00 2.022749e-06 ; 2.987607e-01 -2.022749e-06 4.034930e-01 1.301949e-01 0.004395 0.001132 True md_ensemble 6 84 95 + CB_GB1_10 CG2_GB1_11 1 0.000000e+00 9.074386e-06 ; 3.385684e-01 -9.074386e-06 5.406683e-01 3.283980e-01 0.004395 0.001132 True md_ensemble 6 84 96 + CB_GB1_10 C_GB1_11 1 0.000000e+00 7.726517e-06 ; 3.340619e-01 -7.726517e-06 3.116979e-02 2.510457e-01 0.004395 0.001132 True md_ensemble 5 84 97 CB_GB1_10 O_GB1_11 1 0.000000e+00 2.015656e-06 ; 2.986733e-01 -2.015656e-06 0.000000e+00 7.662001e-02 0.004395 0.001132 True md_ensemble 6 84 98 - CB_GB1_10 N_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 99 - CB_GB1_10 C_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 106 + CB_GB1_10 N_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 99 + CB_GB1_10 C_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 106 CB_GB1_10 O_GB1_12 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.279290e-02 0.004395 0.007862 True md_ensemble 7 84 107 - CB_GB1_10 N_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 108 - CB_GB1_10 CE_GB1_13 1 0.000000e+00 1.576727e-05 ; 3.545205e-01 -1.576727e-05 1.190624e-02 3.317508e-02 0.004395 0.007860 True md_ensemble 7 84 114 - CB_GB1_10 NZ_GB1_13 1 0.000000e+00 3.677870e-06 ; 3.140229e-01 -3.677870e-06 1.280125e-02 1.328785e-02 0.004395 0.001132 True md_ensemble 7 84 115 - CB_GB1_10 C_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 116 + CB_GB1_10 N_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 108 + CB_GB1_10 CE_GB1_13 1 0.000000e+00 1.576702e-05 ; 3.545200e-01 -1.576702e-05 1.190624e-02 3.317508e-02 0.004395 0.007860 True md_ensemble 7 84 114 + CB_GB1_10 NZ_GB1_13 1 0.000000e+00 3.677822e-06 ; 3.140226e-01 -3.677822e-06 1.280125e-02 1.328785e-02 0.004395 0.001132 True md_ensemble 7 84 115 + CB_GB1_10 C_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 116 CB_GB1_10 O_GB1_13 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.601036e-03 0.004395 0.007862 True md_ensemble 7 84 117 - CB_GB1_10 N_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 118 - CB_GB1_10 C_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 121 + CB_GB1_10 N_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 118 + CB_GB1_10 C_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 121 CB_GB1_10 O_GB1_14 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.079603e-03 0.004395 0.007862 True md_ensemble 7 84 122 - CB_GB1_10 N_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 123 - CB_GB1_10 CD_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 128 - CB_GB1_10 OE1_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 129 - CB_GB1_10 OE2_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 130 - CB_GB1_10 C_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 131 + CB_GB1_10 N_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 123 + CB_GB1_10 CD_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 128 + CB_GB1_10 OE1_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 129 + CB_GB1_10 OE2_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 130 + CB_GB1_10 C_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 131 CB_GB1_10 O_GB1_15 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.534960e-03 0.004395 0.007862 True md_ensemble 7 84 132 - CB_GB1_10 N_GB1_16 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 133 - CB_GB1_10 OG1_GB1_16 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 137 - CB_GB1_10 C_GB1_16 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 139 + CB_GB1_10 N_GB1_16 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 133 + CB_GB1_10 OG1_GB1_16 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 137 + CB_GB1_10 C_GB1_16 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 139 CB_GB1_10 O_GB1_16 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 8.224706e-04 0.004395 0.007862 True md_ensemble 7 84 140 - CB_GB1_10 N_GB1_17 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 141 - CB_GB1_10 OG1_GB1_17 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 145 - CB_GB1_10 C_GB1_17 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 147 + CB_GB1_10 N_GB1_17 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 141 + CB_GB1_10 OG1_GB1_17 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 145 + CB_GB1_10 C_GB1_17 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 147 CB_GB1_10 O_GB1_17 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.949955e-04 0.004395 0.007862 True md_ensemble 7 84 148 - CB_GB1_10 N_GB1_18 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 149 - CB_GB1_10 OG1_GB1_18 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 153 - CB_GB1_10 C_GB1_18 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 155 + CB_GB1_10 N_GB1_18 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 149 + CB_GB1_10 OG1_GB1_18 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 153 + CB_GB1_10 C_GB1_18 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 155 CB_GB1_10 O_GB1_18 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.050456e-04 0.004395 0.007862 True md_ensemble 7 84 156 - CB_GB1_10 N_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 157 - CB_GB1_10 CD_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 162 - CB_GB1_10 OE1_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 163 - CB_GB1_10 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 164 - CB_GB1_10 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 165 + CB_GB1_10 N_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 157 + CB_GB1_10 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 162 + CB_GB1_10 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 163 + CB_GB1_10 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 164 + CB_GB1_10 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 165 CB_GB1_10 O_GB1_19 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.998667e-05 0.004395 0.007862 True md_ensemble 7 84 166 - CB_GB1_10 N_GB1_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 167 - CB_GB1_10 C_GB1_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 171 + CB_GB1_10 N_GB1_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 167 + CB_GB1_10 C_GB1_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 171 CB_GB1_10 O_GB1_20 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.088917e-04 0.004395 0.007862 True md_ensemble 7 84 172 - CB_GB1_10 N_GB1_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 173 - CB_GB1_10 C_GB1_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 179 + CB_GB1_10 N_GB1_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 173 + CB_GB1_10 C_GB1_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 179 CB_GB1_10 O_GB1_21 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.439289e-06 0.004395 0.007862 True md_ensemble 7 84 180 - CB_GB1_10 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 181 - CB_GB1_10 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 185 - CB_GB1_10 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 186 - CB_GB1_10 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 187 - CB_GB1_10 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 188 + CB_GB1_10 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 181 + CB_GB1_10 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 185 + CB_GB1_10 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 186 + CB_GB1_10 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 187 + CB_GB1_10 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 188 CB_GB1_10 O_GB1_22 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.998734e-04 0.004395 0.007862 True md_ensemble 7 84 189 - CB_GB1_10 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 190 - CB_GB1_10 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 194 + CB_GB1_10 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 190 + CB_GB1_10 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 194 CB_GB1_10 O_GB1_23 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.955708e-04 0.004395 0.007862 True md_ensemble 7 84 195 - CB_GB1_10 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 196 - CB_GB1_10 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 200 + CB_GB1_10 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 196 + CB_GB1_10 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 200 CB_GB1_10 O_GB1_24 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.512071e-05 0.004395 0.007862 True md_ensemble 7 84 201 - CB_GB1_10 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 202 - CB_GB1_10 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 206 - CB_GB1_10 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 208 + CB_GB1_10 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 202 + CB_GB1_10 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 206 + CB_GB1_10 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 208 CB_GB1_10 O_GB1_25 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 84 209 - CB_GB1_10 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 210 - CB_GB1_10 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 214 + CB_GB1_10 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 210 + CB_GB1_10 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 214 CB_GB1_10 O_GB1_26 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.965092e-04 0.004395 0.007862 True md_ensemble 7 84 215 - CB_GB1_10 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 216 - CB_GB1_10 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 221 - CB_GB1_10 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 222 - CB_GB1_10 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 223 - CB_GB1_10 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 224 + CB_GB1_10 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 216 + CB_GB1_10 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 221 + CB_GB1_10 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 222 + CB_GB1_10 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 223 + CB_GB1_10 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 224 CB_GB1_10 O_GB1_27 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 84 225 - CB_GB1_10 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 226 - CB_GB1_10 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 233 - CB_GB1_10 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 234 + CB_GB1_10 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 226 + CB_GB1_10 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 233 + CB_GB1_10 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 234 CB_GB1_10 O_GB1_28 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.999243e-05 0.004395 0.007862 True md_ensemble 7 84 235 - CB_GB1_10 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 236 - CB_GB1_10 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 242 + CB_GB1_10 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 236 + CB_GB1_10 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 242 CB_GB1_10 O_GB1_29 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 84 243 - CB_GB1_10 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 244 - CB_GB1_10 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 254 + CB_GB1_10 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 244 + CB_GB1_10 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 254 CB_GB1_10 O_GB1_30 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 84 255 - CB_GB1_10 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 256 - CB_GB1_10 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 263 - CB_GB1_10 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 264 + CB_GB1_10 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 256 + CB_GB1_10 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 263 + CB_GB1_10 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 264 CB_GB1_10 O_GB1_31 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.405197e-04 0.004395 0.007862 True md_ensemble 7 84 265 - CB_GB1_10 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 266 - CB_GB1_10 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 271 + CB_GB1_10 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 266 + CB_GB1_10 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 271 CB_GB1_10 OE1_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.128942e-04 0.004395 0.007862 True md_ensemble 7 84 272 - CB_GB1_10 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 273 - CB_GB1_10 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 274 + CB_GB1_10 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 273 + CB_GB1_10 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 274 CB_GB1_10 O_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.850890e-04 0.004395 0.007862 True md_ensemble 7 84 275 - CB_GB1_10 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 276 - CB_GB1_10 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 286 - CB_GB1_10 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 287 + CB_GB1_10 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 276 + CB_GB1_10 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 286 + CB_GB1_10 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 287 CB_GB1_10 O_GB1_33 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.987657e-05 0.004395 0.007862 True md_ensemble 7 84 288 - CB_GB1_10 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 289 - CB_GB1_10 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 293 + CB_GB1_10 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 289 + CB_GB1_10 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 293 CB_GB1_10 O_GB1_34 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000323e-04 0.004395 0.007862 True md_ensemble 7 84 294 - CB_GB1_10 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 295 - CB_GB1_10 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 299 + CB_GB1_10 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 295 + CB_GB1_10 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 299 CB_GB1_10 OD1_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.999971e-04 0.004395 0.007862 True md_ensemble 7 84 300 - CB_GB1_10 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 301 - CB_GB1_10 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 302 + CB_GB1_10 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 301 + CB_GB1_10 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 302 CB_GB1_10 O_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000003e-04 0.004395 0.007862 True md_ensemble 7 84 303 - CB_GB1_10 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 304 - CB_GB1_10 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 308 - CB_GB1_10 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 309 - CB_GB1_10 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 310 - CB_GB1_10 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 311 + CB_GB1_10 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 304 + CB_GB1_10 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 308 + CB_GB1_10 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 309 + CB_GB1_10 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 310 + CB_GB1_10 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 311 CB_GB1_10 O_GB1_36 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 84 312 - CB_GB1_10 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 313 - CB_GB1_10 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 317 + CB_GB1_10 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 313 + CB_GB1_10 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 317 CB_GB1_10 OD1_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000613e-04 0.004395 0.007862 True md_ensemble 7 84 318 - CB_GB1_10 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 319 - CB_GB1_10 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 320 + CB_GB1_10 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 319 + CB_GB1_10 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 320 CB_GB1_10 O_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 4.589000e-05 0.000000e+00 0.004395 0.007862 True md_ensemble 7 84 321 - CB_GB1_10 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 322 - CB_GB1_10 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 325 + CB_GB1_10 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 322 + CB_GB1_10 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 325 CB_GB1_10 O_GB1_38 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 4.124035e-03 9.990262e-05 0.004395 0.007862 True md_ensemble 7 84 326 - CB_GB1_10 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 327 + CB_GB1_10 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 327 CB_GB1_10 CA_GB1_39 1 7.246021e-03 1.582724e-04 ; 5.287101e-01 8.293428e-02 5.647385e-03 1.000014e-04 0.004395 0.007117 True md_ensemble 7 84 329 - CB_GB1_10 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 333 + CB_GB1_10 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 333 CB_GB1_10 O_GB1_39 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 84 334 - CB_GB1_10 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 335 - CB_GB1_10 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 339 - CB_GB1_10 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 340 - CB_GB1_10 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 341 - CB_GB1_10 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 342 + CB_GB1_10 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 335 + CB_GB1_10 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 339 + CB_GB1_10 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 340 + CB_GB1_10 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 341 + CB_GB1_10 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 342 CB_GB1_10 O_GB1_40 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.517448e-06 0.004395 0.007862 True md_ensemble 7 84 343 - CB_GB1_10 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 344 - CB_GB1_10 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 347 + CB_GB1_10 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 344 + CB_GB1_10 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 347 CB_GB1_10 O_GB1_41 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000388e-04 0.004395 0.007862 True md_ensemble 7 84 348 - CB_GB1_10 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 349 - CB_GB1_10 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 354 - CB_GB1_10 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 355 - CB_GB1_10 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 356 - CB_GB1_10 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 357 + CB_GB1_10 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 349 + CB_GB1_10 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 354 + CB_GB1_10 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 355 + CB_GB1_10 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 356 + CB_GB1_10 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 357 CB_GB1_10 O_GB1_42 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 84 358 - CB_GB1_10 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 359 - CB_GB1_10 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 366 - CB_GB1_10 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 372 + CB_GB1_10 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 359 + CB_GB1_10 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 366 + CB_GB1_10 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 372 CB_GB1_10 O_GB1_43 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 84 373 - CB_GB1_10 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 374 - CB_GB1_10 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 378 - CB_GB1_10 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 380 + CB_GB1_10 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 374 + CB_GB1_10 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 378 + CB_GB1_10 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 380 CB_GB1_10 O_GB1_44 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.206151e-05 0.004395 0.007862 True md_ensemble 7 84 381 - CB_GB1_10 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 382 - CB_GB1_10 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 392 - CB_GB1_10 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 393 + CB_GB1_10 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 382 + CB_GB1_10 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 392 + CB_GB1_10 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 393 CB_GB1_10 O_GB1_45 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.067226e-05 0.004395 0.007862 True md_ensemble 7 84 394 - CB_GB1_10 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 395 - CB_GB1_10 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 399 - CB_GB1_10 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 400 - CB_GB1_10 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 401 - CB_GB1_10 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 402 + CB_GB1_10 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 395 + CB_GB1_10 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 399 + CB_GB1_10 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 400 + CB_GB1_10 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 401 + CB_GB1_10 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 402 CB_GB1_10 O_GB1_46 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.561853e-06 0.004395 0.007862 True md_ensemble 7 84 403 - CB_GB1_10 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 404 - CB_GB1_10 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 408 - CB_GB1_10 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 409 - CB_GB1_10 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 410 - CB_GB1_10 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 411 + CB_GB1_10 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 404 + CB_GB1_10 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 408 + CB_GB1_10 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 409 + CB_GB1_10 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 410 + CB_GB1_10 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 411 CB_GB1_10 O_GB1_47 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 84 412 - CB_GB1_10 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 413 - CB_GB1_10 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 417 + CB_GB1_10 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 413 + CB_GB1_10 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 417 CB_GB1_10 O_GB1_48 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000643e-04 0.004395 0.007862 True md_ensemble 7 84 418 - CB_GB1_10 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 419 - CB_GB1_10 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 423 - CB_GB1_10 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 425 + CB_GB1_10 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 419 + CB_GB1_10 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 423 + CB_GB1_10 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 425 CB_GB1_10 O_GB1_49 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.996620e-05 0.004395 0.007862 True md_ensemble 7 84 426 - CB_GB1_10 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 427 - CB_GB1_10 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 434 - CB_GB1_10 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 435 + CB_GB1_10 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 427 + CB_GB1_10 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 434 + CB_GB1_10 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 435 CB_GB1_10 O_GB1_50 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.987870e-05 0.004395 0.007862 True md_ensemble 7 84 436 - CB_GB1_10 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 437 - CB_GB1_10 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 441 - CB_GB1_10 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 443 + CB_GB1_10 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 437 + CB_GB1_10 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 441 + CB_GB1_10 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 443 CB_GB1_10 O_GB1_51 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 84 444 - CB_GB1_10 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 445 - CB_GB1_10 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 455 + CB_GB1_10 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 445 + CB_GB1_10 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 455 CB_GB1_10 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.997690e-05 0.004395 0.007862 True md_ensemble 7 84 456 - CB_GB1_10 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 457 - CB_GB1_10 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 461 - CB_GB1_10 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 463 + CB_GB1_10 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 457 + CB_GB1_10 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 461 + CB_GB1_10 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 463 CB_GB1_10 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.584229e-07 0.004395 0.007862 True md_ensemble 7 84 464 - CB_GB1_10 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 465 - CB_GB1_10 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 471 + CB_GB1_10 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 465 + CB_GB1_10 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 471 CB_GB1_10 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000594e-04 0.004395 0.007862 True md_ensemble 7 84 472 - CB_GB1_10 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 473 - CB_GB1_10 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 477 - CB_GB1_10 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 479 + CB_GB1_10 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 473 + CB_GB1_10 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 477 + CB_GB1_10 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 479 CB_GB1_10 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 84 480 - CB_GB1_10 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 481 + CB_GB1_10 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 84 481 CB_GB1_10 CA_GB1_56 1 2.105196e-02 3.680563e-04 ; 5.094524e-01 3.010307e-01 3.870595e-01 9.994615e-05 0.004395 0.007117 True md_ensemble 7 84 483 CB_GB1_10 CB_GB1_56 1 6.068413e-03 2.730629e-05 ; 4.063166e-01 3.371534e-01 7.795746e-01 6.657342e-05 0.004395 0.007860 True md_ensemble 7 84 484 CB_GB1_10 CG_GB1_56 1 8.831595e-03 5.880474e-05 ; 4.337394e-01 3.315935e-01 6.999297e-01 8.559331e-06 0.004395 0.007860 True md_ensemble 7 84 485 @@ -14454,204 +14454,204 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CB_GB1_10 C_GB1_56 1 7.396838e-03 6.739046e-05 ; 4.570097e-01 2.029709e-01 5.785128e-02 1.339307e-05 0.004395 0.001132 True md_ensemble 7 84 489 CB_GB1_10 O1_GB1_56 1 2.873817e-03 1.005965e-05 ; 3.896613e-01 2.052464e-01 6.046001e-02 0.000000e+00 0.004395 0.001132 True md_ensemble 7 84 490 CB_GB1_10 O2_GB1_56 1 2.873817e-03 1.005965e-05 ; 3.896613e-01 2.052464e-01 6.046001e-02 0.000000e+00 0.004395 0.001132 True md_ensemble 7 84 491 - CG_GB1_10 NZ_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 88 - CG_GB1_10 C_GB1_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 89 - CG_GB1_10 O_GB1_10 1 0.000000e+00 1.995293e-06 ; 2.984207e-01 -1.995293e-06 9.733096e-01 9.632072e-01 0.004395 0.001132 True md_ensemble 4 85 90 - CG_GB1_10 N_GB1_11 1 0.000000e+00 3.587498e-06 ; 3.133726e-01 -3.587498e-06 9.991354e-01 9.750381e-01 0.004395 0.001132 True md_ensemble 4 85 91 - CG_GB1_10 CA_GB1_11 1 0.000000e+00 2.850502e-05 ; 3.724533e-01 -2.850502e-05 7.865528e-01 6.825523e-01 0.004395 0.001132 True md_ensemble 5 85 93 - CG_GB1_10 CB_GB1_11 1 0.000000e+00 3.021637e-05 ; 3.742673e-01 -3.021637e-05 2.820451e-01 2.318375e-01 0.004395 0.001132 True md_ensemble 6 85 94 - CG_GB1_10 OG1_GB1_11 1 0.000000e+00 2.482716e-06 ; 3.039057e-01 -2.482716e-06 1.547398e-01 4.667822e-02 0.004395 0.001132 True md_ensemble 7 85 95 + CG_GB1_10 NZ_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 88 + CG_GB1_10 C_GB1_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 89 + CG_GB1_10 O_GB1_10 1 0.000000e+00 1.995286e-06 ; 2.984206e-01 -1.995286e-06 9.733096e-01 9.632072e-01 0.004395 0.001132 True md_ensemble 4 85 90 + CG_GB1_10 N_GB1_11 1 0.000000e+00 3.587451e-06 ; 3.133722e-01 -3.587451e-06 9.991354e-01 9.750381e-01 0.004395 0.001132 True md_ensemble 4 85 91 + CG_GB1_10 CA_GB1_11 1 0.000000e+00 2.850490e-05 ; 3.724531e-01 -2.850490e-05 7.865528e-01 6.825523e-01 0.004395 0.001132 True md_ensemble 5 85 93 + CG_GB1_10 CB_GB1_11 1 0.000000e+00 3.021624e-05 ; 3.742671e-01 -3.021624e-05 2.820451e-01 2.318375e-01 0.004395 0.001132 True md_ensemble 6 85 94 + CG_GB1_10 OG1_GB1_11 1 0.000000e+00 2.482679e-06 ; 3.039054e-01 -2.482679e-06 1.547398e-01 4.667822e-02 0.004395 0.001132 True md_ensemble 7 85 95 CG_GB1_10 CG2_GB1_11 1 1.942574e-03 6.361059e-06 ; 3.853529e-01 1.483085e-01 1.708022e-01 1.035016e-01 0.004395 0.012151 True md_ensemble 7 85 96 - CG_GB1_10 C_GB1_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 97 + CG_GB1_10 C_GB1_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 97 CG_GB1_10 O_GB1_11 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.951536e-02 0.004395 0.007862 True md_ensemble 7 85 98 - CG_GB1_10 N_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 99 - CG_GB1_10 C_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 106 + CG_GB1_10 N_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 99 + CG_GB1_10 C_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 106 CG_GB1_10 O_GB1_12 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.087583e-02 0.004395 0.007862 True md_ensemble 7 85 107 - CG_GB1_10 N_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 108 - CG_GB1_10 NZ_GB1_13 1 0.000000e+00 3.698828e-06 ; 3.141717e-01 -3.698828e-06 6.928040e-03 1.311572e-02 0.004395 0.001132 True md_ensemble 7 85 115 - CG_GB1_10 C_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 116 + CG_GB1_10 N_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 108 + CG_GB1_10 NZ_GB1_13 1 0.000000e+00 3.698779e-06 ; 3.141713e-01 -3.698779e-06 6.928040e-03 1.311572e-02 0.004395 0.001132 True md_ensemble 7 85 115 + CG_GB1_10 C_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 116 CG_GB1_10 O_GB1_13 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.431008e-03 0.004395 0.007862 True md_ensemble 7 85 117 - CG_GB1_10 N_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 118 - CG_GB1_10 C_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 121 + CG_GB1_10 N_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 118 + CG_GB1_10 C_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 121 CG_GB1_10 O_GB1_14 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.162915e-03 0.004395 0.007862 True md_ensemble 7 85 122 - CG_GB1_10 N_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 123 - CG_GB1_10 CD_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 128 - CG_GB1_10 OE1_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 129 - CG_GB1_10 OE2_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 130 - CG_GB1_10 C_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 131 + CG_GB1_10 N_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 123 + CG_GB1_10 CD_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 128 + CG_GB1_10 OE1_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 129 + CG_GB1_10 OE2_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 130 + CG_GB1_10 C_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 131 CG_GB1_10 O_GB1_15 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.117496e-03 0.004395 0.007862 True md_ensemble 7 85 132 - CG_GB1_10 N_GB1_16 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 133 - CG_GB1_10 OG1_GB1_16 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 137 - CG_GB1_10 C_GB1_16 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 139 + CG_GB1_10 N_GB1_16 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 133 + CG_GB1_10 OG1_GB1_16 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 137 + CG_GB1_10 C_GB1_16 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 139 CG_GB1_10 O_GB1_16 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.049337e-03 0.004395 0.007862 True md_ensemble 7 85 140 - CG_GB1_10 N_GB1_17 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 141 - CG_GB1_10 OG1_GB1_17 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 145 - CG_GB1_10 C_GB1_17 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 147 + CG_GB1_10 N_GB1_17 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 141 + CG_GB1_10 OG1_GB1_17 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 145 + CG_GB1_10 C_GB1_17 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 147 CG_GB1_10 O_GB1_17 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.944513e-04 0.004395 0.007862 True md_ensemble 7 85 148 - CG_GB1_10 N_GB1_18 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 149 - CG_GB1_10 OG1_GB1_18 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 153 - CG_GB1_10 C_GB1_18 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 155 + CG_GB1_10 N_GB1_18 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 149 + CG_GB1_10 OG1_GB1_18 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 153 + CG_GB1_10 C_GB1_18 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 155 CG_GB1_10 O_GB1_18 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.909763e-04 0.004395 0.007862 True md_ensemble 7 85 156 - CG_GB1_10 N_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 157 - CG_GB1_10 CD_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 162 - CG_GB1_10 OE1_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 163 - CG_GB1_10 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 164 - CG_GB1_10 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 165 + CG_GB1_10 N_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 157 + CG_GB1_10 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 162 + CG_GB1_10 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 163 + CG_GB1_10 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 164 + CG_GB1_10 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 165 CG_GB1_10 O_GB1_19 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.006025e-04 0.004395 0.007862 True md_ensemble 7 85 166 - CG_GB1_10 N_GB1_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 167 - CG_GB1_10 C_GB1_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 171 + CG_GB1_10 N_GB1_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 167 + CG_GB1_10 C_GB1_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 171 CG_GB1_10 O_GB1_20 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.512103e-04 0.004395 0.007862 True md_ensemble 7 85 172 - CG_GB1_10 N_GB1_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 173 - CG_GB1_10 C_GB1_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 179 + CG_GB1_10 N_GB1_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 173 + CG_GB1_10 C_GB1_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 179 CG_GB1_10 O_GB1_21 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.994440e-05 0.004395 0.007862 True md_ensemble 7 85 180 - CG_GB1_10 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 181 - CG_GB1_10 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 185 - CG_GB1_10 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 186 - CG_GB1_10 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 187 - CG_GB1_10 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 188 + CG_GB1_10 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 181 + CG_GB1_10 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 185 + CG_GB1_10 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 186 + CG_GB1_10 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 187 + CG_GB1_10 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 188 CG_GB1_10 O_GB1_22 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.996971e-04 0.004395 0.007862 True md_ensemble 7 85 189 - CG_GB1_10 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 190 - CG_GB1_10 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 194 + CG_GB1_10 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 190 + CG_GB1_10 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 194 CG_GB1_10 O_GB1_23 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.999886e-04 0.004395 0.007862 True md_ensemble 7 85 195 - CG_GB1_10 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 196 - CG_GB1_10 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 200 + CG_GB1_10 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 196 + CG_GB1_10 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 200 CG_GB1_10 O_GB1_24 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.005074e-05 0.004395 0.007862 True md_ensemble 7 85 201 - CG_GB1_10 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 202 - CG_GB1_10 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 206 - CG_GB1_10 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 208 + CG_GB1_10 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 202 + CG_GB1_10 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 206 + CG_GB1_10 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 208 CG_GB1_10 O_GB1_25 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.001276e-04 0.004395 0.007862 True md_ensemble 7 85 209 - CG_GB1_10 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 210 - CG_GB1_10 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 214 + CG_GB1_10 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 210 + CG_GB1_10 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 214 CG_GB1_10 O_GB1_26 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.998088e-04 0.004395 0.007862 True md_ensemble 7 85 215 - CG_GB1_10 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 216 - CG_GB1_10 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 221 - CG_GB1_10 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 222 - CG_GB1_10 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 223 - CG_GB1_10 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 224 + CG_GB1_10 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 216 + CG_GB1_10 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 221 + CG_GB1_10 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 222 + CG_GB1_10 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 223 + CG_GB1_10 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 224 CG_GB1_10 O_GB1_27 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.989879e-05 0.004395 0.007862 True md_ensemble 7 85 225 - CG_GB1_10 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 226 - CG_GB1_10 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 233 - CG_GB1_10 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 234 + CG_GB1_10 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 226 + CG_GB1_10 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 233 + CG_GB1_10 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 234 CG_GB1_10 O_GB1_28 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.479792e-05 0.004395 0.007862 True md_ensemble 7 85 235 - CG_GB1_10 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 236 - CG_GB1_10 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 242 + CG_GB1_10 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 236 + CG_GB1_10 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 242 CG_GB1_10 O_GB1_29 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 85 243 - CG_GB1_10 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 244 - CG_GB1_10 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 254 + CG_GB1_10 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 244 + CG_GB1_10 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 254 CG_GB1_10 O_GB1_30 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.176285e-07 0.004395 0.007862 True md_ensemble 7 85 255 - CG_GB1_10 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 256 - CG_GB1_10 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 263 - CG_GB1_10 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 264 + CG_GB1_10 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 256 + CG_GB1_10 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 263 + CG_GB1_10 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 264 CG_GB1_10 O_GB1_31 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.950008e-04 0.004395 0.007862 True md_ensemble 7 85 265 - CG_GB1_10 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 266 - CG_GB1_10 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 271 + CG_GB1_10 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 266 + CG_GB1_10 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 271 CG_GB1_10 OE1_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.994963e-04 0.004395 0.007862 True md_ensemble 7 85 272 - CG_GB1_10 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 273 - CG_GB1_10 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 274 + CG_GB1_10 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 273 + CG_GB1_10 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 274 CG_GB1_10 O_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.999763e-04 0.004395 0.007862 True md_ensemble 7 85 275 - CG_GB1_10 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 276 - CG_GB1_10 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 286 - CG_GB1_10 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 287 + CG_GB1_10 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 276 + CG_GB1_10 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 286 + CG_GB1_10 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 287 CG_GB1_10 O_GB1_33 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000427e-04 0.004395 0.007862 True md_ensemble 7 85 288 - CG_GB1_10 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 289 - CG_GB1_10 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 293 + CG_GB1_10 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 289 + CG_GB1_10 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 293 CG_GB1_10 O_GB1_34 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.998028e-05 0.004395 0.007862 True md_ensemble 7 85 294 - CG_GB1_10 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 295 - CG_GB1_10 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 299 + CG_GB1_10 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 295 + CG_GB1_10 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 299 CG_GB1_10 OD1_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.735285e-04 0.004395 0.007862 True md_ensemble 7 85 300 - CG_GB1_10 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 301 - CG_GB1_10 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 302 + CG_GB1_10 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 301 + CG_GB1_10 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 302 CG_GB1_10 O_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.788255e-04 0.004395 0.007862 True md_ensemble 7 85 303 - CG_GB1_10 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 304 - CG_GB1_10 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 308 - CG_GB1_10 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 309 - CG_GB1_10 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 310 - CG_GB1_10 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 311 + CG_GB1_10 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 304 + CG_GB1_10 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 308 + CG_GB1_10 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 309 + CG_GB1_10 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 310 + CG_GB1_10 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 311 CG_GB1_10 O_GB1_36 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 85 312 - CG_GB1_10 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 313 - CG_GB1_10 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 317 + CG_GB1_10 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 313 + CG_GB1_10 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 317 CG_GB1_10 OD1_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 85 318 - CG_GB1_10 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 319 - CG_GB1_10 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 320 + CG_GB1_10 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 319 + CG_GB1_10 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 320 CG_GB1_10 O_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 3.373925e-04 9.171750e-05 0.004395 0.007862 True md_ensemble 7 85 321 - CG_GB1_10 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 322 + CG_GB1_10 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 322 CG_GB1_10 CA_GB1_38 1 5.279648e-03 5.814204e-05 ; 4.716801e-01 1.198560e-01 1.155190e-02 1.999105e-04 0.004395 0.007860 True md_ensemble 7 85 324 CG_GB1_10 C_GB1_38 1 2.576585e-03 1.197914e-05 ; 4.085359e-01 1.385490e-01 1.659628e-02 1.040146e-04 0.004395 0.001132 True md_ensemble 7 85 325 CG_GB1_10 O_GB1_38 1 5.993857e-04 6.091098e-07 ; 3.170771e-01 1.474542e-01 1.972308e-02 1.000174e-04 0.004395 0.007862 True md_ensemble 7 85 326 - CG_GB1_10 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 327 + CG_GB1_10 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 327 CG_GB1_10 CA_GB1_39 1 6.301526e-03 6.705174e-05 ; 4.689869e-01 1.480544e-01 1.995388e-02 2.660220e-04 0.004395 0.007117 True md_ensemble 7 85 329 CG_GB1_10 CB_GB1_39 1 6.435099e-03 1.205595e-04 ; 5.153564e-01 8.587153e-02 5.978237e-03 2.879780e-04 0.004395 0.007117 True md_ensemble 7 85 330 - CG_GB1_10 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 333 + CG_GB1_10 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 333 CG_GB1_10 O_GB1_39 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 85 334 - CG_GB1_10 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 335 - CG_GB1_10 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 339 - CG_GB1_10 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 340 - CG_GB1_10 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 341 - CG_GB1_10 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 342 + CG_GB1_10 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 335 + CG_GB1_10 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 339 + CG_GB1_10 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 340 + CG_GB1_10 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 341 + CG_GB1_10 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 342 CG_GB1_10 O_GB1_40 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.999363e-04 0.004395 0.007862 True md_ensemble 7 85 343 - CG_GB1_10 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 344 - CG_GB1_10 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 347 + CG_GB1_10 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 344 + CG_GB1_10 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 347 CG_GB1_10 O_GB1_41 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000542e-04 0.004395 0.007862 True md_ensemble 7 85 348 - CG_GB1_10 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 349 - CG_GB1_10 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 354 - CG_GB1_10 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 355 - CG_GB1_10 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 356 - CG_GB1_10 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 357 + CG_GB1_10 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 349 + CG_GB1_10 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 354 + CG_GB1_10 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 355 + CG_GB1_10 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 356 + CG_GB1_10 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 357 CG_GB1_10 O_GB1_42 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000646e-04 0.004395 0.007862 True md_ensemble 7 85 358 - CG_GB1_10 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 359 - CG_GB1_10 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 366 - CG_GB1_10 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 372 + CG_GB1_10 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 359 + CG_GB1_10 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 366 + CG_GB1_10 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 372 CG_GB1_10 O_GB1_43 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 85 373 - CG_GB1_10 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 374 - CG_GB1_10 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 378 - CG_GB1_10 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 380 + CG_GB1_10 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 374 + CG_GB1_10 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 378 + CG_GB1_10 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 380 CG_GB1_10 O_GB1_44 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.446909e-05 0.004395 0.007862 True md_ensemble 7 85 381 - CG_GB1_10 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 382 - CG_GB1_10 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 392 - CG_GB1_10 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 393 + CG_GB1_10 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 382 + CG_GB1_10 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 392 + CG_GB1_10 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 393 CG_GB1_10 O_GB1_45 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 85 394 - CG_GB1_10 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 395 - CG_GB1_10 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 399 - CG_GB1_10 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 400 - CG_GB1_10 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 401 - CG_GB1_10 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 402 + CG_GB1_10 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 395 + CG_GB1_10 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 399 + CG_GB1_10 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 400 + CG_GB1_10 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 401 + CG_GB1_10 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 402 CG_GB1_10 O_GB1_46 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 8.351516e-05 0.004395 0.007862 True md_ensemble 7 85 403 - CG_GB1_10 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 404 - CG_GB1_10 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 408 - CG_GB1_10 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 409 - CG_GB1_10 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 410 - CG_GB1_10 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 411 + CG_GB1_10 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 404 + CG_GB1_10 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 408 + CG_GB1_10 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 409 + CG_GB1_10 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 410 + CG_GB1_10 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 411 CG_GB1_10 O_GB1_47 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.999115e-05 0.004395 0.007862 True md_ensemble 7 85 412 - CG_GB1_10 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 413 - CG_GB1_10 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 417 + CG_GB1_10 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 413 + CG_GB1_10 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 417 CG_GB1_10 O_GB1_48 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000311e-04 0.004395 0.007862 True md_ensemble 7 85 418 - CG_GB1_10 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 419 - CG_GB1_10 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 423 - CG_GB1_10 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 425 + CG_GB1_10 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 419 + CG_GB1_10 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 423 + CG_GB1_10 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 425 CG_GB1_10 O_GB1_49 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 85 426 - CG_GB1_10 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 427 - CG_GB1_10 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 434 - CG_GB1_10 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 435 + CG_GB1_10 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 427 + CG_GB1_10 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 434 + CG_GB1_10 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 435 CG_GB1_10 O_GB1_50 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.997163e-05 0.004395 0.007862 True md_ensemble 7 85 436 - CG_GB1_10 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 437 - CG_GB1_10 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 441 - CG_GB1_10 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 443 + CG_GB1_10 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 437 + CG_GB1_10 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 441 + CG_GB1_10 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 443 CG_GB1_10 O_GB1_51 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 85 444 - CG_GB1_10 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 445 - CG_GB1_10 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 455 + CG_GB1_10 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 445 + CG_GB1_10 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 455 CG_GB1_10 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.997394e-05 0.004395 0.007862 True md_ensemble 7 85 456 - CG_GB1_10 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 457 - CG_GB1_10 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 461 - CG_GB1_10 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 463 + CG_GB1_10 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 457 + CG_GB1_10 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 461 + CG_GB1_10 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 463 CG_GB1_10 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 85 464 - CG_GB1_10 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 465 - CG_GB1_10 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 471 + CG_GB1_10 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 465 + CG_GB1_10 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 471 CG_GB1_10 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000554e-04 0.004395 0.007862 True md_ensemble 7 85 472 - CG_GB1_10 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 473 - CG_GB1_10 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 477 - CG_GB1_10 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 479 + CG_GB1_10 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 473 + CG_GB1_10 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 477 + CG_GB1_10 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 479 CG_GB1_10 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 85 480 - CG_GB1_10 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 481 + CG_GB1_10 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 85 481 CG_GB1_10 CA_GB1_56 1 1.067406e-02 8.726675e-05 ; 4.488348e-01 3.264005e-01 6.329073e-01 1.000323e-04 0.004395 0.007117 True md_ensemble 7 85 483 CG_GB1_10 CB_GB1_56 1 3.058538e-03 6.862475e-06 ; 3.618216e-01 3.407902e-01 8.365118e-01 1.000545e-04 0.004395 0.007860 True md_ensemble 7 85 484 CG_GB1_10 CG_GB1_56 1 4.644543e-03 1.588884e-05 ; 3.881726e-01 3.394172e-01 8.145432e-01 1.000545e-04 0.004395 0.007860 True md_ensemble 7 85 485 @@ -14661,203 +14661,203 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CG_GB1_10 C_GB1_56 1 4.029055e-03 1.290214e-05 ; 3.839221e-01 3.145462e-01 5.029798e-01 5.525131e-05 0.004395 0.001132 True md_ensemble 7 85 489 CG_GB1_10 O1_GB1_56 1 8.961767e-04 7.126606e-07 ; 3.043791e-01 2.817375e-01 2.662979e-01 0.000000e+00 0.004395 0.001132 True md_ensemble 7 85 490 CG_GB1_10 O2_GB1_56 1 8.961767e-04 7.126606e-07 ; 3.043791e-01 2.817375e-01 2.662979e-01 0.000000e+00 0.004395 0.001132 True md_ensemble 7 85 491 - CD_GB1_10 NZ_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 88 - CD_GB1_10 C_GB1_10 1 0.000000e+00 6.286249e-06 ; 3.283681e-01 -6.286249e-06 9.978406e-01 9.903079e-01 0.004395 0.001132 True md_ensemble 4 86 89 - CD_GB1_10 O_GB1_10 1 0.000000e+00 2.277760e-06 ; 3.017315e-01 -2.277760e-06 1.503205e-01 2.803544e-01 0.004395 0.001132 True md_ensemble 5 86 90 - CD_GB1_10 N_GB1_11 1 0.000000e+00 3.653016e-06 ; 3.138455e-01 -3.653016e-06 1.900749e-01 1.838004e-01 0.004395 0.001132 True md_ensemble 5 86 91 - CD_GB1_10 CA_GB1_11 1 0.000000e+00 3.149686e-05 ; 3.755640e-01 -3.149686e-05 1.670000e-01 1.570423e-01 0.004395 0.001132 True md_ensemble 6 86 93 + CD_GB1_10 NZ_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 88 + CD_GB1_10 C_GB1_10 1 0.000000e+00 6.286144e-06 ; 3.283676e-01 -6.286144e-06 9.978406e-01 9.903079e-01 0.004395 0.001132 True md_ensemble 4 86 89 + CD_GB1_10 O_GB1_10 1 0.000000e+00 2.277751e-06 ; 3.017314e-01 -2.277751e-06 1.503205e-01 2.803544e-01 0.004395 0.001132 True md_ensemble 5 86 90 + CD_GB1_10 N_GB1_11 1 0.000000e+00 3.652968e-06 ; 3.138452e-01 -3.652968e-06 1.900749e-01 1.838004e-01 0.004395 0.001132 True md_ensemble 5 86 91 + CD_GB1_10 CA_GB1_11 1 0.000000e+00 3.149673e-05 ; 3.755639e-01 -3.149673e-05 1.670000e-01 1.570423e-01 0.004395 0.001132 True md_ensemble 6 86 93 CD_GB1_10 CB_GB1_11 1 8.624421e-03 1.307109e-04 ; 4.974663e-01 1.422618e-01 1.347428e-01 5.376621e-02 0.004395 0.007117 True md_ensemble 7 86 94 - CD_GB1_10 OG1_GB1_11 1 0.000000e+00 2.699448e-06 ; 3.060328e-01 -2.699448e-06 4.377609e-02 1.357757e-02 0.004395 0.001132 True md_ensemble 7 86 95 + CD_GB1_10 OG1_GB1_11 1 0.000000e+00 2.699408e-06 ; 3.060324e-01 -2.699408e-06 4.377609e-02 1.357757e-02 0.004395 0.001132 True md_ensemble 7 86 95 CD_GB1_10 CG2_GB1_11 1 4.391233e-03 2.895708e-05 ; 4.330400e-01 1.664785e-01 1.024138e-01 4.363720e-02 0.004395 0.012151 True md_ensemble 7 86 96 - CD_GB1_10 C_GB1_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 97 + CD_GB1_10 C_GB1_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 97 CD_GB1_10 O_GB1_11 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.778514e-02 0.004395 0.007862 True md_ensemble 7 86 98 - CD_GB1_10 N_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 99 - CD_GB1_10 C_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 106 + CD_GB1_10 N_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 99 + CD_GB1_10 C_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 106 CD_GB1_10 O_GB1_12 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.445646e-02 0.004395 0.007862 True md_ensemble 7 86 107 - CD_GB1_10 N_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 108 - CD_GB1_10 NZ_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 115 - CD_GB1_10 C_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 116 + CD_GB1_10 N_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 108 + CD_GB1_10 NZ_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 115 + CD_GB1_10 C_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 116 CD_GB1_10 O_GB1_13 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.825677e-03 0.004395 0.007862 True md_ensemble 7 86 117 - CD_GB1_10 N_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 118 - CD_GB1_10 C_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 121 + CD_GB1_10 N_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 118 + CD_GB1_10 C_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 121 CD_GB1_10 O_GB1_14 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.950831e-03 0.004395 0.007862 True md_ensemble 7 86 122 - CD_GB1_10 N_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 123 - CD_GB1_10 CD_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 128 - CD_GB1_10 OE1_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 129 - CD_GB1_10 OE2_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 130 - CD_GB1_10 C_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 131 + CD_GB1_10 N_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 123 + CD_GB1_10 CD_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 128 + CD_GB1_10 OE1_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 129 + CD_GB1_10 OE2_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 130 + CD_GB1_10 C_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 131 CD_GB1_10 O_GB1_15 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.190477e-03 0.004395 0.007862 True md_ensemble 7 86 132 - CD_GB1_10 N_GB1_16 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 133 - CD_GB1_10 OG1_GB1_16 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 137 - CD_GB1_10 C_GB1_16 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 139 + CD_GB1_10 N_GB1_16 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 133 + CD_GB1_10 OG1_GB1_16 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 137 + CD_GB1_10 C_GB1_16 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 139 CD_GB1_10 O_GB1_16 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.475588e-03 0.004395 0.007862 True md_ensemble 7 86 140 - CD_GB1_10 N_GB1_17 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 141 - CD_GB1_10 OG1_GB1_17 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 145 - CD_GB1_10 C_GB1_17 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 147 + CD_GB1_10 N_GB1_17 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 141 + CD_GB1_10 OG1_GB1_17 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 145 + CD_GB1_10 C_GB1_17 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 147 CD_GB1_10 O_GB1_17 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.135317e-03 0.004395 0.007862 True md_ensemble 7 86 148 - CD_GB1_10 N_GB1_18 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 149 - CD_GB1_10 OG1_GB1_18 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 153 - CD_GB1_10 C_GB1_18 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 155 + CD_GB1_10 N_GB1_18 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 149 + CD_GB1_10 OG1_GB1_18 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 153 + CD_GB1_10 C_GB1_18 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 155 CD_GB1_10 O_GB1_18 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.054793e-04 0.004395 0.007862 True md_ensemble 7 86 156 - CD_GB1_10 N_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 157 - CD_GB1_10 CD_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 162 - CD_GB1_10 OE1_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 163 - CD_GB1_10 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 164 - CD_GB1_10 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 165 + CD_GB1_10 N_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 157 + CD_GB1_10 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 162 + CD_GB1_10 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 163 + CD_GB1_10 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 164 + CD_GB1_10 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 165 CD_GB1_10 O_GB1_19 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.932692e-04 0.004395 0.007862 True md_ensemble 7 86 166 - CD_GB1_10 N_GB1_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 167 - CD_GB1_10 C_GB1_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 171 + CD_GB1_10 N_GB1_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 167 + CD_GB1_10 C_GB1_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 171 CD_GB1_10 O_GB1_20 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.717353e-04 0.004395 0.007862 True md_ensemble 7 86 172 - CD_GB1_10 N_GB1_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 173 - CD_GB1_10 C_GB1_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 179 + CD_GB1_10 N_GB1_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 173 + CD_GB1_10 C_GB1_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 179 CD_GB1_10 O_GB1_21 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.998332e-04 0.004395 0.007862 True md_ensemble 7 86 180 - CD_GB1_10 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 181 - CD_GB1_10 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 185 - CD_GB1_10 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 186 - CD_GB1_10 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 187 - CD_GB1_10 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 188 + CD_GB1_10 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 181 + CD_GB1_10 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 185 + CD_GB1_10 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 186 + CD_GB1_10 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 187 + CD_GB1_10 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 188 CD_GB1_10 O_GB1_22 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.104616e-04 0.004395 0.007862 True md_ensemble 7 86 189 - CD_GB1_10 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 190 - CD_GB1_10 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 194 + CD_GB1_10 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 190 + CD_GB1_10 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 194 CD_GB1_10 O_GB1_23 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.385699e-04 0.004395 0.007862 True md_ensemble 7 86 195 - CD_GB1_10 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 196 - CD_GB1_10 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 200 + CD_GB1_10 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 196 + CD_GB1_10 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 200 CD_GB1_10 O_GB1_24 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.991775e-05 0.004395 0.007862 True md_ensemble 7 86 201 - CD_GB1_10 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 202 - CD_GB1_10 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 206 - CD_GB1_10 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 208 + CD_GB1_10 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 202 + CD_GB1_10 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 206 + CD_GB1_10 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 208 CD_GB1_10 O_GB1_25 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.999368e-04 0.004395 0.007862 True md_ensemble 7 86 209 - CD_GB1_10 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 210 - CD_GB1_10 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 214 + CD_GB1_10 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 210 + CD_GB1_10 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 214 CD_GB1_10 O_GB1_26 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.777355e-04 0.004395 0.007862 True md_ensemble 7 86 215 - CD_GB1_10 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 216 - CD_GB1_10 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 221 - CD_GB1_10 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 222 - CD_GB1_10 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 223 - CD_GB1_10 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 224 + CD_GB1_10 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 216 + CD_GB1_10 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 221 + CD_GB1_10 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 222 + CD_GB1_10 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 223 + CD_GB1_10 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 224 CD_GB1_10 O_GB1_27 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.998529e-04 0.004395 0.007862 True md_ensemble 7 86 225 - CD_GB1_10 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 226 - CD_GB1_10 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 233 - CD_GB1_10 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 234 + CD_GB1_10 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 226 + CD_GB1_10 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 233 + CD_GB1_10 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 234 CD_GB1_10 O_GB1_28 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.001092e-04 0.004395 0.007862 True md_ensemble 7 86 235 - CD_GB1_10 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 236 - CD_GB1_10 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 242 + CD_GB1_10 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 236 + CD_GB1_10 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 242 CD_GB1_10 O_GB1_29 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.776514e-06 0.004395 0.007862 True md_ensemble 7 86 243 - CD_GB1_10 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 244 - CD_GB1_10 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 254 + CD_GB1_10 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 244 + CD_GB1_10 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 254 CD_GB1_10 O_GB1_30 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.997278e-05 0.004395 0.007862 True md_ensemble 7 86 255 - CD_GB1_10 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 256 - CD_GB1_10 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 263 - CD_GB1_10 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 264 + CD_GB1_10 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 256 + CD_GB1_10 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 263 + CD_GB1_10 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 264 CD_GB1_10 O_GB1_31 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.994160e-04 0.004395 0.007862 True md_ensemble 7 86 265 - CD_GB1_10 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 266 - CD_GB1_10 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 271 + CD_GB1_10 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 266 + CD_GB1_10 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 271 CD_GB1_10 OE1_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.685449e-05 0.004395 0.007862 True md_ensemble 7 86 272 - CD_GB1_10 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 273 - CD_GB1_10 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 274 + CD_GB1_10 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 273 + CD_GB1_10 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 274 CD_GB1_10 O_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.999117e-04 0.004395 0.007862 True md_ensemble 7 86 275 - CD_GB1_10 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 276 - CD_GB1_10 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 286 - CD_GB1_10 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 287 + CD_GB1_10 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 276 + CD_GB1_10 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 286 + CD_GB1_10 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 287 CD_GB1_10 O_GB1_33 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.905945e-04 0.004395 0.007862 True md_ensemble 7 86 288 - CD_GB1_10 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 289 - CD_GB1_10 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 293 + CD_GB1_10 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 289 + CD_GB1_10 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 293 CD_GB1_10 O_GB1_34 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.997801e-04 0.004395 0.007862 True md_ensemble 7 86 294 - CD_GB1_10 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 295 - CD_GB1_10 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 299 + CD_GB1_10 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 295 + CD_GB1_10 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 299 CD_GB1_10 OD1_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.026572e-04 0.004395 0.007862 True md_ensemble 7 86 300 - CD_GB1_10 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 301 - CD_GB1_10 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 302 + CD_GB1_10 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 301 + CD_GB1_10 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 302 CD_GB1_10 O_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.000409e-04 0.004395 0.007862 True md_ensemble 7 86 303 - CD_GB1_10 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 304 - CD_GB1_10 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 308 - CD_GB1_10 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 309 - CD_GB1_10 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 310 - CD_GB1_10 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 311 + CD_GB1_10 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 304 + CD_GB1_10 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 308 + CD_GB1_10 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 309 + CD_GB1_10 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 310 + CD_GB1_10 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 311 CD_GB1_10 O_GB1_36 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.997417e-05 0.004395 0.007862 True md_ensemble 7 86 312 - CD_GB1_10 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 313 - CD_GB1_10 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 317 + CD_GB1_10 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 313 + CD_GB1_10 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 317 CD_GB1_10 OD1_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.029545e-04 0.004395 0.007862 True md_ensemble 7 86 318 - CD_GB1_10 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 319 - CD_GB1_10 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 320 + CD_GB1_10 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 319 + CD_GB1_10 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 320 CD_GB1_10 O_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 8.198750e-05 9.984307e-05 0.004395 0.007862 True md_ensemble 7 86 321 - CD_GB1_10 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 322 + CD_GB1_10 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 322 CD_GB1_10 CA_GB1_38 1 4.881110e-03 4.518670e-05 ; 4.582284e-01 1.318155e-01 1.456560e-02 3.000670e-04 0.004395 0.007860 True md_ensemble 7 86 324 CD_GB1_10 C_GB1_38 1 2.506855e-03 1.112278e-05 ; 4.053660e-01 1.412489e-01 1.748793e-02 1.088320e-04 0.004395 0.001132 True md_ensemble 7 86 325 CD_GB1_10 O_GB1_38 1 4.960050e-04 4.079654e-07 ; 3.060950e-01 1.507609e-01 2.102861e-02 0.000000e+00 0.004395 0.007862 True md_ensemble 7 86 326 - CD_GB1_10 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 327 + CD_GB1_10 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 327 CD_GB1_10 CA_GB1_39 1 8.808815e-03 1.402165e-04 ; 5.015493e-01 1.383490e-01 1.653206e-02 3.596067e-04 0.004395 0.007117 True md_ensemble 7 86 329 - CD_GB1_10 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 333 + CD_GB1_10 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 333 CD_GB1_10 O_GB1_39 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.000234e-04 0.004395 0.007862 True md_ensemble 7 86 334 - CD_GB1_10 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 335 - CD_GB1_10 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 339 + CD_GB1_10 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 335 + CD_GB1_10 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 339 CD_GB1_10 OD1_GB1_40 1 6.449769e-04 1.293843e-06 ; 3.551318e-01 8.037973e-02 5.374565e-03 1.000588e-04 0.004395 0.001132 True md_ensemble 7 86 340 CD_GB1_10 OD2_GB1_40 1 6.449769e-04 1.293843e-06 ; 3.551318e-01 8.037973e-02 5.374565e-03 1.000588e-04 0.004395 0.001132 True md_ensemble 7 86 341 - CD_GB1_10 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 342 + CD_GB1_10 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 342 CD_GB1_10 O_GB1_40 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.965799e-04 0.004395 0.007862 True md_ensemble 7 86 343 - CD_GB1_10 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 344 - CD_GB1_10 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 347 + CD_GB1_10 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 344 + CD_GB1_10 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 347 CD_GB1_10 O_GB1_41 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000146e-04 0.004395 0.007862 True md_ensemble 7 86 348 - CD_GB1_10 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 349 - CD_GB1_10 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 354 - CD_GB1_10 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 355 - CD_GB1_10 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 356 - CD_GB1_10 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 357 + CD_GB1_10 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 349 + CD_GB1_10 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 354 + CD_GB1_10 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 355 + CD_GB1_10 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 356 + CD_GB1_10 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 357 CD_GB1_10 O_GB1_42 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.643170e-04 0.004395 0.007862 True md_ensemble 7 86 358 - CD_GB1_10 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 359 - CD_GB1_10 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 366 - CD_GB1_10 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 372 + CD_GB1_10 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 359 + CD_GB1_10 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 366 + CD_GB1_10 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 372 CD_GB1_10 O_GB1_43 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.726742e-05 0.004395 0.007862 True md_ensemble 7 86 373 - CD_GB1_10 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 374 - CD_GB1_10 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 378 - CD_GB1_10 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 380 + CD_GB1_10 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 374 + CD_GB1_10 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 378 + CD_GB1_10 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 380 CD_GB1_10 O_GB1_44 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.990914e-05 0.004395 0.007862 True md_ensemble 7 86 381 - CD_GB1_10 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 382 - CD_GB1_10 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 392 - CD_GB1_10 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 393 + CD_GB1_10 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 382 + CD_GB1_10 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 392 + CD_GB1_10 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 393 CD_GB1_10 O_GB1_45 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 86 394 - CD_GB1_10 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 395 - CD_GB1_10 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 399 - CD_GB1_10 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 400 - CD_GB1_10 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 401 - CD_GB1_10 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 402 + CD_GB1_10 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 395 + CD_GB1_10 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 399 + CD_GB1_10 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 400 + CD_GB1_10 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 401 + CD_GB1_10 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 402 CD_GB1_10 O_GB1_46 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.997762e-04 0.004395 0.007862 True md_ensemble 7 86 403 - CD_GB1_10 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 404 - CD_GB1_10 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 408 - CD_GB1_10 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 409 - CD_GB1_10 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 410 - CD_GB1_10 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 411 + CD_GB1_10 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 404 + CD_GB1_10 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 408 + CD_GB1_10 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 409 + CD_GB1_10 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 410 + CD_GB1_10 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 411 CD_GB1_10 O_GB1_47 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.996365e-05 0.004395 0.007862 True md_ensemble 7 86 412 - CD_GB1_10 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 413 - CD_GB1_10 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 417 + CD_GB1_10 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 413 + CD_GB1_10 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 417 CD_GB1_10 O_GB1_48 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.987752e-05 0.004395 0.007862 True md_ensemble 7 86 418 - CD_GB1_10 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 419 - CD_GB1_10 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 423 - CD_GB1_10 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 425 + CD_GB1_10 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 419 + CD_GB1_10 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 423 + CD_GB1_10 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 425 CD_GB1_10 O_GB1_49 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 86 426 - CD_GB1_10 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 427 - CD_GB1_10 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 434 - CD_GB1_10 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 435 + CD_GB1_10 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 427 + CD_GB1_10 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 434 + CD_GB1_10 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 435 CD_GB1_10 O_GB1_50 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.909062e-04 0.004395 0.007862 True md_ensemble 7 86 436 - CD_GB1_10 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 437 - CD_GB1_10 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 441 - CD_GB1_10 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 443 + CD_GB1_10 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 437 + CD_GB1_10 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 441 + CD_GB1_10 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 443 CD_GB1_10 O_GB1_51 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 86 444 - CD_GB1_10 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 445 - CD_GB1_10 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 455 + CD_GB1_10 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 445 + CD_GB1_10 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 455 CD_GB1_10 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.999859e-04 0.004395 0.007862 True md_ensemble 7 86 456 - CD_GB1_10 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 457 - CD_GB1_10 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 461 - CD_GB1_10 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 463 + CD_GB1_10 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 457 + CD_GB1_10 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 461 + CD_GB1_10 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 463 CD_GB1_10 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 86 464 - CD_GB1_10 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 465 - CD_GB1_10 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 471 + CD_GB1_10 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 465 + CD_GB1_10 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 471 CD_GB1_10 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000601e-04 0.004395 0.007862 True md_ensemble 7 86 472 - CD_GB1_10 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 473 - CD_GB1_10 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 477 - CD_GB1_10 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 479 + CD_GB1_10 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 473 + CD_GB1_10 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 477 + CD_GB1_10 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 479 CD_GB1_10 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 86 480 - CD_GB1_10 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 481 + CD_GB1_10 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 86 481 CD_GB1_10 CA_GB1_56 1 1.325128e-02 1.370683e-04 ; 4.667810e-01 3.202717e-01 5.620145e-01 1.998535e-04 0.004395 0.007117 True md_ensemble 7 86 483 CD_GB1_10 CB_GB1_56 1 4.683305e-03 1.639209e-05 ; 3.896550e-01 3.345112e-01 7.406545e-01 2.000699e-04 0.004395 0.007860 True md_ensemble 7 86 484 CD_GB1_10 CG_GB1_56 1 5.966488e-03 2.736999e-05 ; 4.076236e-01 3.251644e-01 6.179234e-01 2.999500e-04 0.004395 0.007860 True md_ensemble 7 86 485 @@ -14867,205 +14867,205 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CD_GB1_10 C_GB1_56 1 4.348478e-03 1.501090e-05 ; 3.887570e-01 3.149255e-01 5.066919e-01 9.997269e-05 0.004395 0.001132 True md_ensemble 7 86 489 CD_GB1_10 O1_GB1_56 1 1.277127e-03 1.399050e-06 ; 3.210701e-01 2.914573e-01 3.215060e-01 0.000000e+00 0.004395 0.001132 True md_ensemble 7 86 490 CD_GB1_10 O2_GB1_56 1 1.277127e-03 1.399050e-06 ; 3.210701e-01 2.914573e-01 3.215060e-01 0.000000e+00 0.004395 0.001132 True md_ensemble 7 86 491 - CE_GB1_10 NZ_GB1_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 88 - CE_GB1_10 C_GB1_10 1 0.000000e+00 7.721012e-06 ; 3.340421e-01 -7.721012e-06 7.797578e-02 2.969621e-01 0.004395 0.001132 True md_ensemble 5 87 89 - CE_GB1_10 O_GB1_10 1 0.000000e+00 2.115039e-06 ; 2.998736e-01 -2.115039e-06 1.456088e-02 6.386648e-02 0.004395 0.001132 True md_ensemble 6 87 90 - CE_GB1_10 N_GB1_11 1 0.000000e+00 3.761734e-06 ; 3.146135e-01 -3.761734e-06 6.660785e-03 2.996056e-02 0.004395 0.001132 True md_ensemble 6 87 91 - CE_GB1_10 CA_GB1_11 1 0.000000e+00 3.264469e-05 ; 3.766859e-01 -3.264469e-05 1.807831e-02 4.420024e-02 0.004395 0.007117 True md_ensemble 7 87 93 + CE_GB1_10 NZ_GB1_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 88 + CE_GB1_10 C_GB1_10 1 0.000000e+00 7.720882e-06 ; 3.340416e-01 -7.720882e-06 7.797578e-02 2.969621e-01 0.004395 0.001132 True md_ensemble 5 87 89 + CE_GB1_10 O_GB1_10 1 0.000000e+00 2.115032e-06 ; 2.998735e-01 -2.115032e-06 1.456088e-02 6.386648e-02 0.004395 0.001132 True md_ensemble 6 87 90 + CE_GB1_10 N_GB1_11 1 0.000000e+00 3.761684e-06 ; 3.146131e-01 -3.761684e-06 6.660785e-03 2.996056e-02 0.004395 0.001132 True md_ensemble 6 87 91 + CE_GB1_10 CA_GB1_11 1 0.000000e+00 3.264455e-05 ; 3.766858e-01 -3.264455e-05 1.807831e-02 4.420024e-02 0.004395 0.007117 True md_ensemble 7 87 93 CE_GB1_10 CB_GB1_11 1 6.557665e-03 9.358326e-05 ; 4.925022e-01 1.148789e-01 4.836454e-02 3.281247e-02 0.004395 0.007117 True md_ensemble 7 87 94 - CE_GB1_10 OG1_GB1_11 1 0.000000e+00 2.748355e-06 ; 3.064910e-01 -2.748355e-06 2.422639e-02 1.159808e-02 0.004395 0.001132 True md_ensemble 7 87 95 + CE_GB1_10 OG1_GB1_11 1 0.000000e+00 2.748314e-06 ; 3.064906e-01 -2.748314e-06 2.422639e-02 1.159808e-02 0.004395 0.001132 True md_ensemble 7 87 95 CE_GB1_10 CG2_GB1_11 1 3.192413e-03 1.939260e-05 ; 4.271556e-01 1.313839e-01 3.889164e-02 3.271751e-02 0.004395 0.012151 True md_ensemble 7 87 96 - CE_GB1_10 C_GB1_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 97 + CE_GB1_10 C_GB1_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 97 CE_GB1_10 O_GB1_11 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.353921e-02 0.004395 0.007862 True md_ensemble 7 87 98 - CE_GB1_10 N_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 99 - CE_GB1_10 C_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 106 + CE_GB1_10 N_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 99 + CE_GB1_10 C_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 106 CE_GB1_10 O_GB1_12 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.740161e-02 0.004395 0.007862 True md_ensemble 7 87 107 - CE_GB1_10 N_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 108 - CE_GB1_10 NZ_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 115 - CE_GB1_10 C_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 116 + CE_GB1_10 N_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 108 + CE_GB1_10 NZ_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 115 + CE_GB1_10 C_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 116 CE_GB1_10 O_GB1_13 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.032489e-03 0.004395 0.007862 True md_ensemble 7 87 117 - CE_GB1_10 N_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 118 - CE_GB1_10 C_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 121 + CE_GB1_10 N_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 118 + CE_GB1_10 C_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 121 CE_GB1_10 O_GB1_14 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.438112e-03 0.004395 0.007862 True md_ensemble 7 87 122 - CE_GB1_10 N_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 123 - CE_GB1_10 CD_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 128 - CE_GB1_10 OE1_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 129 - CE_GB1_10 OE2_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 130 - CE_GB1_10 C_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 131 + CE_GB1_10 N_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 123 + CE_GB1_10 CD_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 128 + CE_GB1_10 OE1_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 129 + CE_GB1_10 OE2_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 130 + CE_GB1_10 C_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 131 CE_GB1_10 O_GB1_15 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.757985e-03 0.004395 0.007862 True md_ensemble 7 87 132 - CE_GB1_10 N_GB1_16 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 133 - CE_GB1_10 OG1_GB1_16 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 137 - CE_GB1_10 C_GB1_16 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 139 + CE_GB1_10 N_GB1_16 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 133 + CE_GB1_10 OG1_GB1_16 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 137 + CE_GB1_10 C_GB1_16 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 139 CE_GB1_10 O_GB1_16 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.539210e-03 0.004395 0.007862 True md_ensemble 7 87 140 - CE_GB1_10 N_GB1_17 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 141 - CE_GB1_10 OG1_GB1_17 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 145 - CE_GB1_10 C_GB1_17 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 147 + CE_GB1_10 N_GB1_17 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 141 + CE_GB1_10 OG1_GB1_17 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 145 + CE_GB1_10 C_GB1_17 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 147 CE_GB1_10 O_GB1_17 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.193007e-03 0.004395 0.007862 True md_ensemble 7 87 148 - CE_GB1_10 N_GB1_18 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 149 - CE_GB1_10 OG1_GB1_18 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 153 - CE_GB1_10 C_GB1_18 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 155 + CE_GB1_10 N_GB1_18 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 149 + CE_GB1_10 OG1_GB1_18 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 153 + CE_GB1_10 C_GB1_18 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 155 CE_GB1_10 O_GB1_18 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.201531e-04 0.004395 0.007862 True md_ensemble 7 87 156 - CE_GB1_10 N_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 157 - CE_GB1_10 CD_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 162 - CE_GB1_10 OE1_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 163 - CE_GB1_10 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 164 - CE_GB1_10 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 165 + CE_GB1_10 N_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 157 + CE_GB1_10 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 162 + CE_GB1_10 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 163 + CE_GB1_10 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 164 + CE_GB1_10 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 165 CE_GB1_10 O_GB1_19 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.977739e-04 0.004395 0.007862 True md_ensemble 7 87 166 - CE_GB1_10 N_GB1_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 167 - CE_GB1_10 C_GB1_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 171 + CE_GB1_10 N_GB1_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 167 + CE_GB1_10 C_GB1_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 171 CE_GB1_10 O_GB1_20 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.814721e-04 0.004395 0.007862 True md_ensemble 7 87 172 - CE_GB1_10 N_GB1_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 173 - CE_GB1_10 C_GB1_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 179 + CE_GB1_10 N_GB1_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 173 + CE_GB1_10 C_GB1_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 179 CE_GB1_10 O_GB1_21 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.608715e-04 0.004395 0.007862 True md_ensemble 7 87 180 - CE_GB1_10 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 181 - CE_GB1_10 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 185 - CE_GB1_10 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 186 - CE_GB1_10 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 187 - CE_GB1_10 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 188 + CE_GB1_10 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 181 + CE_GB1_10 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 185 + CE_GB1_10 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 186 + CE_GB1_10 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 187 + CE_GB1_10 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 188 CE_GB1_10 O_GB1_22 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 8.301903e-04 0.004395 0.007862 True md_ensemble 7 87 189 - CE_GB1_10 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 190 - CE_GB1_10 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 194 + CE_GB1_10 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 190 + CE_GB1_10 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 194 CE_GB1_10 O_GB1_23 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.992483e-04 0.004395 0.007862 True md_ensemble 7 87 195 - CE_GB1_10 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 196 - CE_GB1_10 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 200 + CE_GB1_10 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 196 + CE_GB1_10 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 200 CE_GB1_10 O_GB1_24 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.001583e-04 0.004395 0.007862 True md_ensemble 7 87 201 - CE_GB1_10 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 202 - CE_GB1_10 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 206 - CE_GB1_10 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 208 + CE_GB1_10 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 202 + CE_GB1_10 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 206 + CE_GB1_10 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 208 CE_GB1_10 O_GB1_25 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.001901e-04 0.004395 0.007862 True md_ensemble 7 87 209 - CE_GB1_10 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 210 - CE_GB1_10 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 214 + CE_GB1_10 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 210 + CE_GB1_10 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 214 CE_GB1_10 O_GB1_26 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.112656e-04 0.004395 0.007862 True md_ensemble 7 87 215 - CE_GB1_10 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 216 - CE_GB1_10 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 221 - CE_GB1_10 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 222 - CE_GB1_10 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 223 - CE_GB1_10 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 224 + CE_GB1_10 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 216 + CE_GB1_10 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 221 + CE_GB1_10 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 222 + CE_GB1_10 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 223 + CE_GB1_10 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 224 CE_GB1_10 O_GB1_27 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.982984e-04 0.004395 0.007862 True md_ensemble 7 87 225 - CE_GB1_10 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 226 - CE_GB1_10 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 233 - CE_GB1_10 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 234 + CE_GB1_10 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 226 + CE_GB1_10 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 233 + CE_GB1_10 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 234 CE_GB1_10 O_GB1_28 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000259e-04 0.004395 0.007862 True md_ensemble 7 87 235 - CE_GB1_10 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 236 - CE_GB1_10 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 242 + CE_GB1_10 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 236 + CE_GB1_10 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 242 CE_GB1_10 O_GB1_29 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.152291e-04 0.004395 0.007862 True md_ensemble 7 87 243 - CE_GB1_10 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 244 - CE_GB1_10 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 254 + CE_GB1_10 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 244 + CE_GB1_10 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 254 CE_GB1_10 O_GB1_30 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.089388e-06 0.004395 0.007862 True md_ensemble 7 87 255 - CE_GB1_10 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 256 - CE_GB1_10 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 263 - CE_GB1_10 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 264 + CE_GB1_10 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 256 + CE_GB1_10 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 263 + CE_GB1_10 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 264 CE_GB1_10 O_GB1_31 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.340509e-04 0.004395 0.007862 True md_ensemble 7 87 265 - CE_GB1_10 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 266 - CE_GB1_10 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 271 + CE_GB1_10 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 266 + CE_GB1_10 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 271 CE_GB1_10 OE1_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.369469e-04 0.004395 0.007862 True md_ensemble 7 87 272 - CE_GB1_10 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 273 - CE_GB1_10 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 274 + CE_GB1_10 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 273 + CE_GB1_10 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 274 CE_GB1_10 O_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.154593e-04 0.004395 0.007862 True md_ensemble 7 87 275 - CE_GB1_10 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 276 - CE_GB1_10 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 286 - CE_GB1_10 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 287 + CE_GB1_10 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 276 + CE_GB1_10 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 286 + CE_GB1_10 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 287 CE_GB1_10 O_GB1_33 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.001441e-04 0.004395 0.007862 True md_ensemble 7 87 288 - CE_GB1_10 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 289 - CE_GB1_10 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 293 + CE_GB1_10 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 289 + CE_GB1_10 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 293 CE_GB1_10 O_GB1_34 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.827383e-04 0.004395 0.007862 True md_ensemble 7 87 294 - CE_GB1_10 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 295 - CE_GB1_10 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 299 + CE_GB1_10 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 295 + CE_GB1_10 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 299 CE_GB1_10 OD1_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.983941e-04 0.004395 0.007862 True md_ensemble 7 87 300 - CE_GB1_10 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 301 - CE_GB1_10 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 302 + CE_GB1_10 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 301 + CE_GB1_10 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 302 CE_GB1_10 O_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.806060e-04 0.004395 0.007862 True md_ensemble 7 87 303 - CE_GB1_10 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 304 - CE_GB1_10 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 308 - CE_GB1_10 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 309 - CE_GB1_10 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 310 - CE_GB1_10 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 311 + CE_GB1_10 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 304 + CE_GB1_10 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 308 + CE_GB1_10 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 309 + CE_GB1_10 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 310 + CE_GB1_10 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 311 CE_GB1_10 O_GB1_36 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.000074e-04 0.004395 0.007862 True md_ensemble 7 87 312 - CE_GB1_10 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 313 - CE_GB1_10 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 317 + CE_GB1_10 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 313 + CE_GB1_10 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 317 CE_GB1_10 OD1_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.025883e-04 0.004395 0.007862 True md_ensemble 7 87 318 - CE_GB1_10 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 319 - CE_GB1_10 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 320 + CE_GB1_10 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 319 + CE_GB1_10 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 320 CE_GB1_10 O_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 9.363250e-05 3.847912e-04 0.004395 0.007862 True md_ensemble 7 87 321 - CE_GB1_10 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 322 + CE_GB1_10 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 322 CE_GB1_10 CA_GB1_38 1 6.885174e-03 8.621483e-05 ; 4.818862e-01 1.374636e-01 1.625078e-02 3.933289e-04 0.004395 0.007860 True md_ensemble 7 87 324 CE_GB1_10 C_GB1_38 1 3.873175e-03 2.054320e-05 ; 4.176061e-01 1.825602e-01 3.894898e-02 0.000000e+00 0.004395 0.001132 True md_ensemble 7 87 325 CE_GB1_10 O_GB1_38 1 9.974108e-04 1.192774e-06 ; 3.257972e-01 2.085115e-01 6.440996e-02 0.000000e+00 0.004395 0.007862 True md_ensemble 7 87 326 - CE_GB1_10 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 327 + CE_GB1_10 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 327 CE_GB1_10 CA_GB1_39 1 1.243812e-02 2.016912e-04 ; 5.031012e-01 1.917620e-01 4.655398e-02 3.043105e-04 0.004395 0.007117 True md_ensemble 7 87 329 - CE_GB1_10 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 333 + CE_GB1_10 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 333 CE_GB1_10 O_GB1_39 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.084295e-04 0.004395 0.007862 True md_ensemble 7 87 334 - CE_GB1_10 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 335 + CE_GB1_10 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 335 CE_GB1_10 CA_GB1_40 1 1.266772e-02 2.598017e-04 ; 5.231874e-01 1.544168e-01 2.257282e-02 2.158826e-04 0.004395 0.007117 True md_ensemble 7 87 337 CE_GB1_10 CB_GB1_40 1 6.863761e-03 6.373770e-05 ; 4.584645e-01 1.847855e-01 4.066571e-02 3.504979e-04 0.004395 0.007860 True md_ensemble 7 87 338 CE_GB1_10 CG_GB1_40 1 3.331055e-03 1.505625e-05 ; 4.066204e-01 1.842411e-01 4.023890e-02 1.991782e-04 0.004395 0.001132 True md_ensemble 7 87 339 CE_GB1_10 OD1_GB1_40 1 5.062962e-04 4.022156e-07 ; 3.043283e-01 1.593274e-01 2.482690e-02 1.957731e-04 0.004395 0.001132 True md_ensemble 7 87 340 CE_GB1_10 OD2_GB1_40 1 5.062962e-04 4.022156e-07 ; 3.043283e-01 1.593274e-01 2.482690e-02 1.957731e-04 0.004395 0.001132 True md_ensemble 7 87 341 - CE_GB1_10 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 342 + CE_GB1_10 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 342 CE_GB1_10 O_GB1_40 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 5.967500e-06 2.421630e-04 0.004395 0.007862 True md_ensemble 7 87 343 - CE_GB1_10 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 344 - CE_GB1_10 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 347 + CE_GB1_10 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 344 + CE_GB1_10 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 347 CE_GB1_10 O_GB1_41 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.985298e-04 0.004395 0.007862 True md_ensemble 7 87 348 - CE_GB1_10 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 349 - CE_GB1_10 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 354 - CE_GB1_10 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 355 - CE_GB1_10 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 356 - CE_GB1_10 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 357 + CE_GB1_10 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 349 + CE_GB1_10 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 354 + CE_GB1_10 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 355 + CE_GB1_10 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 356 + CE_GB1_10 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 357 CE_GB1_10 O_GB1_42 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.994509e-05 0.004395 0.007862 True md_ensemble 7 87 358 - CE_GB1_10 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 359 - CE_GB1_10 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 366 - CE_GB1_10 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 372 + CE_GB1_10 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 359 + CE_GB1_10 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 366 + CE_GB1_10 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 372 CE_GB1_10 O_GB1_43 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 87 373 - CE_GB1_10 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 374 - CE_GB1_10 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 378 - CE_GB1_10 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 380 + CE_GB1_10 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 374 + CE_GB1_10 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 378 + CE_GB1_10 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 380 CE_GB1_10 O_GB1_44 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.999128e-04 0.004395 0.007862 True md_ensemble 7 87 381 - CE_GB1_10 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 382 - CE_GB1_10 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 392 - CE_GB1_10 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 393 + CE_GB1_10 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 382 + CE_GB1_10 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 392 + CE_GB1_10 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 393 CE_GB1_10 O_GB1_45 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.180023e-04 0.004395 0.007862 True md_ensemble 7 87 394 - CE_GB1_10 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 395 - CE_GB1_10 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 399 - CE_GB1_10 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 400 - CE_GB1_10 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 401 - CE_GB1_10 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 402 + CE_GB1_10 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 395 + CE_GB1_10 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 399 + CE_GB1_10 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 400 + CE_GB1_10 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 401 + CE_GB1_10 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 402 CE_GB1_10 O_GB1_46 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.001529e-04 0.004395 0.007862 True md_ensemble 7 87 403 - CE_GB1_10 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 404 - CE_GB1_10 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 408 - CE_GB1_10 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 409 - CE_GB1_10 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 410 - CE_GB1_10 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 411 + CE_GB1_10 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 404 + CE_GB1_10 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 408 + CE_GB1_10 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 409 + CE_GB1_10 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 410 + CE_GB1_10 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 411 CE_GB1_10 O_GB1_47 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.998968e-04 0.004395 0.007862 True md_ensemble 7 87 412 - CE_GB1_10 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 413 - CE_GB1_10 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 417 + CE_GB1_10 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 413 + CE_GB1_10 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 417 CE_GB1_10 O_GB1_48 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.329520e-05 0.004395 0.007862 True md_ensemble 7 87 418 - CE_GB1_10 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 419 - CE_GB1_10 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 423 - CE_GB1_10 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 425 + CE_GB1_10 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 419 + CE_GB1_10 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 423 + CE_GB1_10 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 425 CE_GB1_10 O_GB1_49 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.221400e-05 0.004395 0.007862 True md_ensemble 7 87 426 - CE_GB1_10 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 427 - CE_GB1_10 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 434 - CE_GB1_10 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 435 + CE_GB1_10 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 427 + CE_GB1_10 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 434 + CE_GB1_10 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 435 CE_GB1_10 O_GB1_50 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.011199e-04 0.004395 0.007862 True md_ensemble 7 87 436 - CE_GB1_10 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 437 - CE_GB1_10 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 441 - CE_GB1_10 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 443 + CE_GB1_10 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 437 + CE_GB1_10 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 441 + CE_GB1_10 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 443 CE_GB1_10 O_GB1_51 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 87 444 - CE_GB1_10 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 445 - CE_GB1_10 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 455 + CE_GB1_10 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 445 + CE_GB1_10 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 455 CE_GB1_10 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.997881e-04 0.004395 0.007862 True md_ensemble 7 87 456 - CE_GB1_10 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 457 - CE_GB1_10 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 461 - CE_GB1_10 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 463 + CE_GB1_10 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 457 + CE_GB1_10 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 461 + CE_GB1_10 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 463 CE_GB1_10 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 87 464 - CE_GB1_10 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 465 - CE_GB1_10 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 471 + CE_GB1_10 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 465 + CE_GB1_10 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 471 CE_GB1_10 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000512e-04 0.004395 0.007862 True md_ensemble 7 87 472 - CE_GB1_10 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 473 - CE_GB1_10 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 477 - CE_GB1_10 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 479 + CE_GB1_10 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 473 + CE_GB1_10 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 477 + CE_GB1_10 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 479 CE_GB1_10 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000643e-04 0.004395 0.007862 True md_ensemble 7 87 480 - CE_GB1_10 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 481 + CE_GB1_10 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 87 481 CE_GB1_10 CA_GB1_56 1 9.258009e-03 6.650260e-05 ; 4.392585e-01 3.222081e-01 5.835108e-01 2.234348e-04 0.004395 0.007117 True md_ensemble 7 87 483 CE_GB1_10 CB_GB1_56 1 4.634918e-03 1.615874e-05 ; 3.893985e-01 3.323661e-01 7.104900e-01 1.309532e-04 0.004395 0.007860 True md_ensemble 7 87 484 CE_GB1_10 CG_GB1_56 1 4.903831e-03 1.827248e-05 ; 3.937407e-01 3.290134e-01 6.657875e-01 2.547402e-04 0.004395 0.007860 True md_ensemble 7 87 485 @@ -15078,87 +15078,87 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 NZ_GB1_10 NZ_GB1_10 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 88 NZ_GB1_10 C_GB1_10 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 1.436285e-03 1.967794e-02 0.004395 0.001132 True md_ensemble 6 88 89 NZ_GB1_10 N_GB1_11 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.271325e-04 3.274330e-03 0.004395 0.001132 True md_ensemble 7 88 91 - NZ_GB1_10 CB_GB1_11 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 94 - NZ_GB1_10 CG2_GB1_11 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 96 + NZ_GB1_10 CB_GB1_11 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 94 + NZ_GB1_10 CG2_GB1_11 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 96 NZ_GB1_10 N_GB1_12 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.423205e-03 0.004395 0.001132 True md_ensemble 7 88 99 - NZ_GB1_10 CB_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 102 - NZ_GB1_10 CG_GB1_12 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 103 - NZ_GB1_10 CD1_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 104 - NZ_GB1_10 CD2_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 105 + NZ_GB1_10 CB_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 102 + NZ_GB1_10 CG_GB1_12 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 103 + NZ_GB1_10 CD1_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 104 + NZ_GB1_10 CD2_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 105 NZ_GB1_10 N_GB1_13 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 8.203378e-04 0.004395 0.001132 True md_ensemble 7 88 108 - NZ_GB1_10 CB_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 111 - NZ_GB1_10 CG_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 112 - NZ_GB1_10 CD_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 113 - NZ_GB1_10 CE_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 114 + NZ_GB1_10 CB_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 111 + NZ_GB1_10 CG_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 112 + NZ_GB1_10 CD_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 113 + NZ_GB1_10 CE_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 114 NZ_GB1_10 NZ_GB1_13 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 115 NZ_GB1_10 N_GB1_14 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.545225e-03 0.004395 0.001132 True md_ensemble 7 88 118 - NZ_GB1_10 CA_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 120 + NZ_GB1_10 CA_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 120 NZ_GB1_10 N_GB1_15 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 6.395876e-04 0.004395 0.001132 True md_ensemble 7 88 123 - NZ_GB1_10 CB_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 126 - NZ_GB1_10 CG_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 127 + NZ_GB1_10 CB_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 126 + NZ_GB1_10 CG_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 127 NZ_GB1_10 N_GB1_16 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 3.594925e-04 0.004395 0.001132 True md_ensemble 7 88 133 - NZ_GB1_10 CB_GB1_16 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 136 - NZ_GB1_10 CG2_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 138 + NZ_GB1_10 CB_GB1_16 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 136 + NZ_GB1_10 CG2_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 138 NZ_GB1_10 N_GB1_17 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 9.995984e-05 0.004395 0.001132 True md_ensemble 7 88 141 - NZ_GB1_10 CB_GB1_17 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 144 - NZ_GB1_10 CG2_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 146 + NZ_GB1_10 CB_GB1_17 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 144 + NZ_GB1_10 CG2_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 146 NZ_GB1_10 N_GB1_18 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 4.219501e-04 0.004395 0.001132 True md_ensemble 7 88 149 - NZ_GB1_10 CB_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 152 - NZ_GB1_10 CG2_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 154 + NZ_GB1_10 CB_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 152 + NZ_GB1_10 CG2_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 154 NZ_GB1_10 N_GB1_19 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 9.141938e-05 0.004395 0.001132 True md_ensemble 7 88 157 - NZ_GB1_10 CB_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 160 - NZ_GB1_10 CG_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 161 + NZ_GB1_10 CB_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 160 + NZ_GB1_10 CG_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 161 NZ_GB1_10 N_GB1_20 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 88 167 - NZ_GB1_10 CB_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 170 + NZ_GB1_10 CB_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 170 NZ_GB1_10 N_GB1_21 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 9.990645e-05 0.004395 0.001132 True md_ensemble 7 88 173 - NZ_GB1_10 CB_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 176 - NZ_GB1_10 CG1_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 177 - NZ_GB1_10 CG2_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 178 + NZ_GB1_10 CB_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 176 + NZ_GB1_10 CG1_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 177 + NZ_GB1_10 CG2_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 178 NZ_GB1_10 N_GB1_22 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.936264e-04 0.004395 0.001132 True md_ensemble 7 88 181 - NZ_GB1_10 CB_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 184 + NZ_GB1_10 CB_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 184 NZ_GB1_10 N_GB1_23 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.000581e-04 0.004395 0.001132 True md_ensemble 7 88 190 - NZ_GB1_10 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 193 + NZ_GB1_10 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 193 NZ_GB1_10 N_GB1_24 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.735723e-04 0.004395 0.001132 True md_ensemble 7 88 196 - NZ_GB1_10 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 199 + NZ_GB1_10 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 199 NZ_GB1_10 N_GB1_25 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 88 202 - NZ_GB1_10 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 205 - NZ_GB1_10 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 207 + NZ_GB1_10 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 205 + NZ_GB1_10 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 207 NZ_GB1_10 N_GB1_26 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 6.223306e-06 0.004395 0.001132 True md_ensemble 7 88 210 - NZ_GB1_10 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 213 + NZ_GB1_10 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 213 NZ_GB1_10 N_GB1_27 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 3.296746e-05 0.004395 0.001132 True md_ensemble 7 88 216 - NZ_GB1_10 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 219 - NZ_GB1_10 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 220 + NZ_GB1_10 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 219 + NZ_GB1_10 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 220 NZ_GB1_10 N_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 9.991727e-05 0.004395 0.001132 True md_ensemble 7 88 226 - NZ_GB1_10 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 229 - NZ_GB1_10 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 230 - NZ_GB1_10 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 231 - NZ_GB1_10 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 232 + NZ_GB1_10 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 229 + NZ_GB1_10 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 230 + NZ_GB1_10 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 231 + NZ_GB1_10 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 232 NZ_GB1_10 NZ_GB1_28 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 233 NZ_GB1_10 N_GB1_29 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 3.159601e-06 0.004395 0.001132 True md_ensemble 7 88 236 - NZ_GB1_10 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 239 - NZ_GB1_10 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 240 - NZ_GB1_10 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 241 + NZ_GB1_10 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 239 + NZ_GB1_10 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 240 + NZ_GB1_10 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 241 NZ_GB1_10 N_GB1_30 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 4.810639e-05 0.004395 0.001132 True md_ensemble 7 88 244 - NZ_GB1_10 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 247 + NZ_GB1_10 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 247 NZ_GB1_10 N_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 4.103611e-06 0.004395 0.001132 True md_ensemble 7 88 256 - NZ_GB1_10 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 259 - NZ_GB1_10 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 260 - NZ_GB1_10 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 261 - NZ_GB1_10 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 262 + NZ_GB1_10 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 259 + NZ_GB1_10 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 260 + NZ_GB1_10 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 261 + NZ_GB1_10 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 262 NZ_GB1_10 NZ_GB1_31 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 263 NZ_GB1_10 N_GB1_32 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 88 266 - NZ_GB1_10 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 269 - NZ_GB1_10 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 270 + NZ_GB1_10 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 269 + NZ_GB1_10 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 270 NZ_GB1_10 N_GB1_33 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 88 276 - NZ_GB1_10 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 279 + NZ_GB1_10 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 279 NZ_GB1_10 N_GB1_34 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 88 289 - NZ_GB1_10 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 292 + NZ_GB1_10 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 292 NZ_GB1_10 N_GB1_35 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 4.755418e-05 0.004395 0.001132 True md_ensemble 7 88 295 - NZ_GB1_10 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 298 + NZ_GB1_10 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 298 NZ_GB1_10 N_GB1_36 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 8.534834e-05 0.004395 0.001132 True md_ensemble 7 88 304 - NZ_GB1_10 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 307 + NZ_GB1_10 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 307 NZ_GB1_10 N_GB1_37 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 88 313 - NZ_GB1_10 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 316 + NZ_GB1_10 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 316 NZ_GB1_10 N_GB1_38 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.474058e-04 0.004395 0.001132 True md_ensemble 7 88 322 NZ_GB1_10 CA_GB1_38 1 4.302499e-03 2.562243e-05 ; 4.257454e-01 1.806181e-01 3.751004e-02 3.998713e-04 0.004395 0.009458 True md_ensemble 7 88 324 NZ_GB1_10 C_GB1_38 1 1.372004e-03 2.242788e-06 ; 3.432196e-01 2.098277e-01 6.607439e-02 0.000000e+00 0.004395 0.011584 True md_ensemble 7 88 325 @@ -15166,8 +15166,8 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 NZ_GB1_10 N_GB1_39 1 1.759531e-03 5.582302e-06 ; 3.833270e-01 1.386502e-01 1.662887e-02 0.000000e+00 0.004395 0.001132 True md_ensemble 7 88 327 NZ_GB1_10 CA_GB1_39 1 3.126843e-03 1.113819e-05 ; 3.907972e-01 2.194510e-01 7.962360e-02 0.000000e+00 0.004395 0.008482 True md_ensemble 7 88 329 NZ_GB1_10 CB_GB1_39 1 4.631966e-03 4.506256e-05 ; 4.620352e-01 1.190296e-01 1.136833e-02 1.404213e-04 0.004395 0.001132 True md_ensemble 7 88 330 - NZ_GB1_10 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 331 - NZ_GB1_10 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 332 + NZ_GB1_10 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 331 + NZ_GB1_10 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 332 NZ_GB1_10 C_GB1_39 1 2.056831e-03 6.925469e-06 ; 3.871463e-01 1.527173e-01 2.184133e-02 0.000000e+00 0.004395 0.011584 True md_ensemble 7 88 333 NZ_GB1_10 N_GB1_40 1 1.055637e-03 1.526474e-06 ; 3.362760e-01 1.825071e-01 3.890888e-02 0.000000e+00 0.004395 0.001132 True md_ensemble 7 88 335 NZ_GB1_10 CA_GB1_40 1 3.870148e-03 1.970387e-05 ; 4.147668e-01 1.900394e-01 4.502518e-02 1.999252e-04 0.004395 0.008482 True md_ensemble 7 88 337 @@ -15176,47 +15176,47 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 NZ_GB1_10 OD1_GB1_40 1 1.145897e-04 1.956622e-08 ; 2.355376e-01 1.677739e-01 2.924320e-02 4.680930e-05 0.004395 0.011584 True md_ensemble 7 88 340 NZ_GB1_10 OD2_GB1_40 1 1.145897e-04 1.956622e-08 ; 2.355376e-01 1.677739e-01 2.924320e-02 4.680930e-05 0.004395 0.011584 True md_ensemble 7 88 341 NZ_GB1_10 N_GB1_41 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 88 344 - NZ_GB1_10 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 346 + NZ_GB1_10 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 346 NZ_GB1_10 N_GB1_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 88 349 - NZ_GB1_10 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 352 - NZ_GB1_10 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 353 + NZ_GB1_10 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 352 + NZ_GB1_10 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 353 NZ_GB1_10 N_GB1_43 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 88 359 - NZ_GB1_10 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 362 + NZ_GB1_10 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 362 NZ_GB1_10 N_GB1_44 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.848077e-05 0.004395 0.001132 True md_ensemble 7 88 374 - NZ_GB1_10 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 377 - NZ_GB1_10 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 379 + NZ_GB1_10 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 377 + NZ_GB1_10 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 379 NZ_GB1_10 N_GB1_45 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 88 382 - NZ_GB1_10 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 385 + NZ_GB1_10 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 385 NZ_GB1_10 N_GB1_46 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 88 395 - NZ_GB1_10 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 398 + NZ_GB1_10 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 398 NZ_GB1_10 N_GB1_47 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 2.326917e-07 0.004395 0.001132 True md_ensemble 7 88 404 - NZ_GB1_10 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 407 + NZ_GB1_10 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 407 NZ_GB1_10 N_GB1_48 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 88 413 - NZ_GB1_10 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 416 + NZ_GB1_10 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 416 NZ_GB1_10 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 88 419 - NZ_GB1_10 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 422 - NZ_GB1_10 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 424 + NZ_GB1_10 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 422 + NZ_GB1_10 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 424 NZ_GB1_10 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 88 427 - NZ_GB1_10 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 430 - NZ_GB1_10 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 431 - NZ_GB1_10 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 432 - NZ_GB1_10 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 433 + NZ_GB1_10 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 430 + NZ_GB1_10 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 431 + NZ_GB1_10 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 432 + NZ_GB1_10 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 433 NZ_GB1_10 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 434 NZ_GB1_10 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 88 437 - NZ_GB1_10 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 440 - NZ_GB1_10 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 442 + NZ_GB1_10 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 440 + NZ_GB1_10 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 442 NZ_GB1_10 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 88 445 - NZ_GB1_10 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 448 + NZ_GB1_10 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 448 NZ_GB1_10 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 88 457 - NZ_GB1_10 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 460 - NZ_GB1_10 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 462 + NZ_GB1_10 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 460 + NZ_GB1_10 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 462 NZ_GB1_10 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 88 465 - NZ_GB1_10 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 468 - NZ_GB1_10 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 469 - NZ_GB1_10 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 470 + NZ_GB1_10 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 468 + NZ_GB1_10 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 469 + NZ_GB1_10 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 470 NZ_GB1_10 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 88 473 - NZ_GB1_10 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 476 - NZ_GB1_10 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 478 + NZ_GB1_10 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 476 + NZ_GB1_10 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 88 478 NZ_GB1_10 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 4.265850e-04 0.000000e+00 0.004395 0.001132 True md_ensemble 7 88 481 NZ_GB1_10 CA_GB1_56 1 4.308376e-03 1.445855e-05 ; 3.869325e-01 3.209539e-01 5.694961e-01 1.999850e-04 0.004395 0.008482 True md_ensemble 7 88 483 NZ_GB1_10 CB_GB1_56 1 2.342363e-03 4.192352e-06 ; 3.484447e-01 3.271830e-01 6.425804e-01 8.216636e-05 0.004395 0.001132 True md_ensemble 7 88 484 @@ -15227,110 +15227,110 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 NZ_GB1_10 C_GB1_56 1 5.761449e-04 2.617823e-07 ; 2.772691e-01 3.170029e-01 5.275109e-01 0.000000e+00 0.004395 0.011584 True md_ensemble 7 88 489 NZ_GB1_10 O1_GB1_56 1 2.365544e-04 4.450810e-08 ; 2.393782e-01 3.143134e-01 5.007154e-01 1.000659e-04 0.004395 0.011584 True md_ensemble 7 88 490 NZ_GB1_10 O2_GB1_56 1 2.365544e-04 4.450810e-08 ; 2.393782e-01 3.143134e-01 5.007154e-01 1.000659e-04 0.004395 0.011584 True md_ensemble 7 88 491 - C_GB1_10 CB_GB1_11 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 94 - C_GB1_10 OG1_GB1_11 1 0.000000e+00 1.020110e-06 ; 2.821947e-01 -1.020110e-06 9.756900e-01 8.689868e-01 0.004395 0.001132 True md_ensemble 4 89 95 - C_GB1_10 CG2_GB1_11 1 0.000000e+00 4.694072e-06 ; 3.204725e-01 -4.694072e-06 9.993314e-01 9.925512e-01 0.004395 0.001132 True md_ensemble 4 89 96 - C_GB1_10 O_GB1_11 1 0.000000e+00 8.701516e-07 ; 2.784804e-01 -8.701516e-07 8.085309e-01 8.607821e-01 0.004395 0.001132 True md_ensemble 4 89 98 - C_GB1_10 N_GB1_12 1 0.000000e+00 1.455867e-06 ; 2.906845e-01 -1.455867e-06 9.999217e-01 9.652557e-01 0.004395 0.001132 True md_ensemble 4 89 99 - C_GB1_10 CA_GB1_12 1 0.000000e+00 1.097578e-05 ; 3.439785e-01 -1.097578e-05 9.951211e-01 8.360569e-01 0.004395 0.001132 True md_ensemble 5 89 101 - C_GB1_10 CB_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 102 - C_GB1_10 CG_GB1_12 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 103 - C_GB1_10 CD1_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 104 - C_GB1_10 CD2_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 105 - C_GB1_10 C_GB1_12 1 0.000000e+00 2.838116e-06 ; 3.073129e-01 -2.838116e-06 7.188031e-02 1.640640e-01 0.004395 0.001132 True md_ensemble 6 89 106 - C_GB1_10 O_GB1_12 1 0.000000e+00 9.084149e-07 ; 2.794808e-01 -9.084149e-07 9.844772e-03 1.083668e-01 0.004395 0.011584 True md_ensemble 7 89 107 - C_GB1_10 CB_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 111 - C_GB1_10 CG_GB1_13 1 0.000000e+00 5.989541e-06 ; 3.270477e-01 -5.989541e-06 1.179918e-01 6.361509e-02 0.004395 0.001132 True md_ensemble 7 89 112 - C_GB1_10 CD_GB1_13 1 0.000000e+00 5.920864e-06 ; 3.267336e-01 -5.920864e-06 9.657835e-02 3.135895e-02 0.004395 0.001132 True md_ensemble 7 89 113 + C_GB1_10 CB_GB1_11 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 94 + C_GB1_10 OG1_GB1_11 1 0.000000e+00 1.020094e-06 ; 2.821944e-01 -1.020094e-06 9.756900e-01 8.689868e-01 0.004395 0.001132 True md_ensemble 4 89 95 + C_GB1_10 CG2_GB1_11 1 0.000000e+00 4.694010e-06 ; 3.204722e-01 -4.694010e-06 9.993314e-01 9.925512e-01 0.004395 0.001132 True md_ensemble 4 89 96 + C_GB1_10 O_GB1_11 1 0.000000e+00 8.701476e-07 ; 2.784803e-01 -8.701476e-07 8.085309e-01 8.607821e-01 0.004395 0.001132 True md_ensemble 4 89 98 + C_GB1_10 N_GB1_12 1 0.000000e+00 1.455847e-06 ; 2.906841e-01 -1.455847e-06 9.999217e-01 9.652557e-01 0.004395 0.001132 True md_ensemble 4 89 99 + C_GB1_10 CA_GB1_12 1 0.000000e+00 1.097572e-05 ; 3.439783e-01 -1.097572e-05 9.951211e-01 8.360569e-01 0.004395 0.001132 True md_ensemble 5 89 101 + C_GB1_10 CB_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 102 + C_GB1_10 CG_GB1_12 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 103 + C_GB1_10 CD1_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 104 + C_GB1_10 CD2_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 105 + C_GB1_10 C_GB1_12 1 0.000000e+00 2.838065e-06 ; 3.073125e-01 -2.838065e-06 7.188031e-02 1.640640e-01 0.004395 0.001132 True md_ensemble 6 89 106 + C_GB1_10 O_GB1_12 1 0.000000e+00 9.084107e-07 ; 2.794807e-01 -9.084107e-07 9.844772e-03 1.083668e-01 0.004395 0.011584 True md_ensemble 7 89 107 + C_GB1_10 CB_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 111 + C_GB1_10 CG_GB1_13 1 0.000000e+00 5.989441e-06 ; 3.270473e-01 -5.989441e-06 1.179918e-01 6.361509e-02 0.004395 0.001132 True md_ensemble 7 89 112 + C_GB1_10 CD_GB1_13 1 0.000000e+00 5.920765e-06 ; 3.267331e-01 -5.920765e-06 9.657835e-02 3.135895e-02 0.004395 0.001132 True md_ensemble 7 89 113 C_GB1_10 CE_GB1_13 1 1.654047e-03 5.340079e-06 ; 3.844442e-01 1.280820e-01 2.665144e-01 2.226021e-02 0.004395 0.001132 True md_ensemble 7 89 114 C_GB1_10 NZ_GB1_13 1 1.751124e-03 2.730801e-06 ; 3.405353e-01 2.807267e-01 2.611313e-01 7.557946e-03 0.004395 0.011584 True md_ensemble 7 89 115 - C_GB1_10 CA_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 120 - C_GB1_10 CB_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 126 - C_GB1_10 CG_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 127 - C_GB1_10 CB_GB1_16 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 136 - C_GB1_10 CG2_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 138 - C_GB1_10 CB_GB1_17 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 144 - C_GB1_10 CG2_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 146 - C_GB1_10 CB_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 152 - C_GB1_10 CG2_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 154 - C_GB1_10 CB_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 160 - C_GB1_10 CG_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 161 - C_GB1_10 CB_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 170 - C_GB1_10 CB_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 176 - C_GB1_10 CG1_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 177 - C_GB1_10 CG2_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 178 - C_GB1_10 CB_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 184 - C_GB1_10 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 193 - C_GB1_10 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 199 - C_GB1_10 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 205 - C_GB1_10 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 207 - C_GB1_10 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 213 - C_GB1_10 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 219 - C_GB1_10 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 220 - C_GB1_10 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 229 - C_GB1_10 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 230 - C_GB1_10 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 231 - C_GB1_10 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 232 - C_GB1_10 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 239 - C_GB1_10 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 240 - C_GB1_10 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 241 - C_GB1_10 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 247 - C_GB1_10 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 259 - C_GB1_10 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 260 - C_GB1_10 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 261 - C_GB1_10 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 262 - C_GB1_10 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 269 - C_GB1_10 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 270 - C_GB1_10 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 279 - C_GB1_10 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 292 - C_GB1_10 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 298 - C_GB1_10 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 307 - C_GB1_10 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 316 - C_GB1_10 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 324 - C_GB1_10 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 330 - C_GB1_10 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 331 - C_GB1_10 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 332 - C_GB1_10 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 338 - C_GB1_10 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 346 - C_GB1_10 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 352 - C_GB1_10 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 353 - C_GB1_10 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 362 - C_GB1_10 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 377 - C_GB1_10 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 379 - C_GB1_10 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 385 - C_GB1_10 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 398 - C_GB1_10 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 407 - C_GB1_10 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 416 - C_GB1_10 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 422 - C_GB1_10 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 424 - C_GB1_10 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 430 - C_GB1_10 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 431 - C_GB1_10 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 432 - C_GB1_10 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 433 - C_GB1_10 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 440 - C_GB1_10 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 442 - C_GB1_10 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 448 - C_GB1_10 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 460 - C_GB1_10 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 462 - C_GB1_10 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 468 - C_GB1_10 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 469 - C_GB1_10 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 470 - C_GB1_10 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 476 - C_GB1_10 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 478 - C_GB1_10 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 484 - C_GB1_10 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 485 + C_GB1_10 CA_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 120 + C_GB1_10 CB_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 126 + C_GB1_10 CG_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 127 + C_GB1_10 CB_GB1_16 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 136 + C_GB1_10 CG2_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 138 + C_GB1_10 CB_GB1_17 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 144 + C_GB1_10 CG2_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 146 + C_GB1_10 CB_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 152 + C_GB1_10 CG2_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 154 + C_GB1_10 CB_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 160 + C_GB1_10 CG_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 161 + C_GB1_10 CB_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 170 + C_GB1_10 CB_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 176 + C_GB1_10 CG1_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 177 + C_GB1_10 CG2_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 178 + C_GB1_10 CB_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 184 + C_GB1_10 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 193 + C_GB1_10 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 199 + C_GB1_10 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 205 + C_GB1_10 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 207 + C_GB1_10 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 213 + C_GB1_10 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 219 + C_GB1_10 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 220 + C_GB1_10 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 229 + C_GB1_10 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 230 + C_GB1_10 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 231 + C_GB1_10 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 232 + C_GB1_10 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 239 + C_GB1_10 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 240 + C_GB1_10 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 241 + C_GB1_10 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 247 + C_GB1_10 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 259 + C_GB1_10 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 260 + C_GB1_10 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 261 + C_GB1_10 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 262 + C_GB1_10 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 269 + C_GB1_10 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 270 + C_GB1_10 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 279 + C_GB1_10 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 292 + C_GB1_10 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 298 + C_GB1_10 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 307 + C_GB1_10 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 316 + C_GB1_10 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 324 + C_GB1_10 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 330 + C_GB1_10 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 331 + C_GB1_10 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 332 + C_GB1_10 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 338 + C_GB1_10 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 346 + C_GB1_10 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 352 + C_GB1_10 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 353 + C_GB1_10 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 362 + C_GB1_10 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 377 + C_GB1_10 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 379 + C_GB1_10 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 385 + C_GB1_10 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 398 + C_GB1_10 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 407 + C_GB1_10 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 416 + C_GB1_10 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 422 + C_GB1_10 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 424 + C_GB1_10 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 430 + C_GB1_10 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 431 + C_GB1_10 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 432 + C_GB1_10 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 433 + C_GB1_10 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 440 + C_GB1_10 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 442 + C_GB1_10 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 448 + C_GB1_10 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 460 + C_GB1_10 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 462 + C_GB1_10 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 468 + C_GB1_10 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 469 + C_GB1_10 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 470 + C_GB1_10 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 476 + C_GB1_10 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 478 + C_GB1_10 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 484 + C_GB1_10 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 89 485 C_GB1_10 OE1_GB1_56 1 1.469857e-03 3.320068e-06 ; 3.622252e-01 1.626835e-01 2.649564e-02 0.000000e+00 0.004395 0.011584 True md_ensemble 7 89 487 C_GB1_10 OE2_GB1_56 1 1.469857e-03 3.320068e-06 ; 3.622252e-01 1.626835e-01 2.649564e-02 0.000000e+00 0.004395 0.011584 True md_ensemble 7 89 488 O_GB1_10 O_GB1_10 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 90 90 O_GB1_10 H_GB1_11 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 90 92 - O_GB1_10 CB_GB1_11 1 0.000000e+00 4.153496e-06 ; 3.172216e-01 -4.153496e-06 9.999996e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 90 94 - O_GB1_10 OG1_GB1_11 1 0.000000e+00 3.073117e-07 ; 2.553445e-01 -3.073117e-07 3.075987e-01 1.532413e-01 0.004395 0.001132 True md_ensemble 5 90 95 + O_GB1_10 CB_GB1_11 1 0.000000e+00 4.153529e-06 ; 3.172219e-01 -4.153529e-06 9.999996e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 90 94 + O_GB1_10 OG1_GB1_11 1 0.000000e+00 3.073108e-07 ; 2.553445e-01 -3.073108e-07 3.075987e-01 1.532413e-01 0.004395 0.001132 True md_ensemble 5 90 95 O_GB1_10 CG2_GB1_11 1 0.000000e+00 1.394621e-06 ; 2.896452e-01 -1.394621e-06 5.582403e-01 4.855201e-01 0.004395 0.001132 True md_ensemble 5 90 96 - O_GB1_10 C_GB1_11 1 0.000000e+00 8.229276e-07 ; 2.771885e-01 -8.229276e-07 9.999602e-01 9.951047e-01 0.004395 0.001132 True md_ensemble 4 90 97 + O_GB1_10 C_GB1_11 1 0.000000e+00 8.229238e-07 ; 2.771883e-01 -8.229238e-07 9.999602e-01 9.951047e-01 0.004395 0.001132 True md_ensemble 4 90 97 O_GB1_10 O_GB1_11 1 0.000000e+00 1.413336e-06 ; 2.899671e-01 -1.413336e-06 8.562572e-01 7.984813e-01 0.004395 0.001132 True md_ensemble 5 90 98 O_GB1_10 N_GB1_12 1 0.000000e+00 1.594323e-06 ; 2.928935e-01 -1.594323e-06 8.178944e-01 8.807762e-01 0.004395 0.001132 True md_ensemble 5 90 99 - O_GB1_10 H_GB1_12 1 0.000000e+00 1.769082e-08 ; 2.012831e-01 -1.769082e-08 1.223391e-02 1.523856e-01 0.004395 0.001132 True md_ensemble 6 90 100 - O_GB1_10 CA_GB1_12 1 0.000000e+00 5.500248e-06 ; 3.247333e-01 -5.500248e-06 2.071343e-01 5.313802e-01 0.004395 0.001132 True md_ensemble 6 90 101 + O_GB1_10 H_GB1_12 1 0.000000e+00 1.769110e-08 ; 2.012834e-01 -1.769110e-08 1.223391e-02 1.523856e-01 0.004395 0.001132 True md_ensemble 6 90 100 + O_GB1_10 CA_GB1_12 1 0.000000e+00 5.500292e-06 ; 3.247335e-01 -5.500292e-06 2.071343e-01 5.313802e-01 0.004395 0.001132 True md_ensemble 6 90 101 O_GB1_10 CB_GB1_12 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 8.501975e-02 0.004395 0.007862 True md_ensemble 7 90 102 O_GB1_10 CG_GB1_12 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.815478e-01 0.004395 0.007862 True md_ensemble 7 90 103 O_GB1_10 CD1_GB1_12 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 90 104 @@ -15528,146 +15528,146 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 O_GB1_10 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 90 488 O_GB1_10 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 90 490 O_GB1_10 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 90 491 - N_GB1_11 CB_GB1_11 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 94 - N_GB1_11 CG2_GB1_11 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 96 - N_GB1_11 CA_GB1_12 1 0.000000e+00 7.574933e-06 ; 3.335108e-01 -7.574933e-06 9.999988e-01 9.999906e-01 0.004395 0.001132 True md_ensemble 4 91 101 - N_GB1_11 CB_GB1_12 1 0.000000e+00 2.999229e-06 ; 3.087302e-01 -2.999229e-06 5.416681e-01 3.575446e-01 0.004395 0.001132 True md_ensemble 5 91 102 - N_GB1_11 CG_GB1_12 1 0.000000e+00 9.350863e-06 ; 3.394163e-01 -9.350863e-06 8.668761e-02 3.211258e-01 0.004395 0.001132 True md_ensemble 6 91 103 - N_GB1_11 CD1_GB1_12 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 104 - N_GB1_11 CD2_GB1_12 1 0.000000e+00 2.812184e-06 ; 3.070780e-01 -2.812184e-06 4.824150e-03 3.007387e-02 0.004395 0.001132 True md_ensemble 7 91 105 + N_GB1_11 CB_GB1_11 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 94 + N_GB1_11 CG2_GB1_11 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 96 + N_GB1_11 CA_GB1_12 1 0.000000e+00 7.574921e-06 ; 3.335108e-01 -7.574921e-06 9.999988e-01 9.999906e-01 0.004395 0.001132 True md_ensemble 4 91 101 + N_GB1_11 CB_GB1_12 1 0.000000e+00 2.999189e-06 ; 3.087299e-01 -2.999189e-06 5.416681e-01 3.575446e-01 0.004395 0.001132 True md_ensemble 5 91 102 + N_GB1_11 CG_GB1_12 1 0.000000e+00 9.350848e-06 ; 3.394162e-01 -9.350848e-06 8.668761e-02 3.211258e-01 0.004395 0.001132 True md_ensemble 6 91 103 + N_GB1_11 CD1_GB1_12 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 104 + N_GB1_11 CD2_GB1_12 1 0.000000e+00 2.812158e-06 ; 3.070777e-01 -2.812158e-06 4.824150e-03 3.007387e-02 0.004395 0.001132 True md_ensemble 7 91 105 N_GB1_11 C_GB1_12 1 1.456259e-03 6.883772e-06 ; 4.096673e-01 7.701776e-02 4.022073e-01 9.038917e-02 0.004395 0.001132 True md_ensemble 5 91 106 N_GB1_11 O_GB1_12 1 0.000000e+00 1.169794e-06 ; 2.854329e-01 -1.169794e-06 3.631271e-01 1.429895e-01 0.004395 0.001132 True md_ensemble 6 91 107 N_GB1_11 N_GB1_13 1 0.000000e+00 8.752940e-07 ; 2.786171e-01 -8.752940e-07 2.021125e-04 6.815749e-02 0.004395 0.001132 True md_ensemble 6 91 108 - N_GB1_11 CB_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 111 + N_GB1_11 CB_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 111 N_GB1_11 CG_GB1_13 1 2.169694e-03 1.376158e-05 ; 4.302408e-01 8.552023e-02 3.735721e-02 7.119791e-03 0.004395 0.001132 True md_ensemble 7 91 112 N_GB1_11 CD_GB1_13 1 2.856527e-03 1.660010e-05 ; 4.240126e-01 1.228870e-01 1.742272e-02 1.609370e-03 0.004395 0.001132 True md_ensemble 7 91 113 N_GB1_11 CE_GB1_13 1 3.524269e-03 1.566981e-05 ; 4.055077e-01 1.981593e-01 8.584847e-02 1.843456e-03 0.004395 0.001132 True md_ensemble 7 91 114 N_GB1_11 NZ_GB1_13 1 1.906574e-03 5.222240e-06 ; 3.740536e-01 1.740165e-01 3.300466e-02 1.023523e-03 0.004395 0.001132 True md_ensemble 7 91 115 N_GB1_11 N_GB1_14 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 5.558462e-03 0.004395 0.001132 True md_ensemble 7 91 118 - N_GB1_11 CA_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 120 + N_GB1_11 CA_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 120 N_GB1_11 N_GB1_15 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 6.745967e-05 0.004395 0.001132 True md_ensemble 7 91 123 - N_GB1_11 CB_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 126 - N_GB1_11 CG_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 127 + N_GB1_11 CB_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 126 + N_GB1_11 CG_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 127 N_GB1_11 N_GB1_16 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 91 133 - N_GB1_11 CB_GB1_16 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 136 - N_GB1_11 CG2_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 138 + N_GB1_11 CB_GB1_16 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 136 + N_GB1_11 CG2_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 138 N_GB1_11 N_GB1_17 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 91 141 - N_GB1_11 CB_GB1_17 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 144 - N_GB1_11 CG2_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 146 + N_GB1_11 CB_GB1_17 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 144 + N_GB1_11 CG2_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 146 N_GB1_11 N_GB1_18 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 91 149 - N_GB1_11 CB_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 152 - N_GB1_11 CG2_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 154 + N_GB1_11 CB_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 152 + N_GB1_11 CG2_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 154 N_GB1_11 N_GB1_19 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 91 157 - N_GB1_11 CB_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 160 - N_GB1_11 CG_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 161 + N_GB1_11 CB_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 160 + N_GB1_11 CG_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 161 N_GB1_11 N_GB1_20 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 91 167 - N_GB1_11 CB_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 170 + N_GB1_11 CB_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 170 N_GB1_11 N_GB1_21 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 91 173 - N_GB1_11 CB_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 176 - N_GB1_11 CG1_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 177 - N_GB1_11 CG2_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 178 + N_GB1_11 CB_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 176 + N_GB1_11 CG1_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 177 + N_GB1_11 CG2_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 178 N_GB1_11 N_GB1_22 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 91 181 - N_GB1_11 CB_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 184 + N_GB1_11 CB_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 184 N_GB1_11 N_GB1_23 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 91 190 - N_GB1_11 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 193 + N_GB1_11 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 193 N_GB1_11 N_GB1_24 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 91 196 - N_GB1_11 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 199 + N_GB1_11 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 199 N_GB1_11 N_GB1_25 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 91 202 - N_GB1_11 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 205 - N_GB1_11 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 207 + N_GB1_11 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 205 + N_GB1_11 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 207 N_GB1_11 N_GB1_26 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 91 210 - N_GB1_11 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 213 + N_GB1_11 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 213 N_GB1_11 N_GB1_27 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 91 216 - N_GB1_11 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 219 - N_GB1_11 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 220 + N_GB1_11 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 219 + N_GB1_11 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 220 N_GB1_11 N_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 91 226 - N_GB1_11 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 229 - N_GB1_11 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 230 - N_GB1_11 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 231 - N_GB1_11 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 232 + N_GB1_11 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 229 + N_GB1_11 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 230 + N_GB1_11 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 231 + N_GB1_11 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 232 N_GB1_11 NZ_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 91 233 N_GB1_11 N_GB1_29 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 91 236 - N_GB1_11 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 239 - N_GB1_11 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 240 - N_GB1_11 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 241 + N_GB1_11 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 239 + N_GB1_11 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 240 + N_GB1_11 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 241 N_GB1_11 N_GB1_30 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 91 244 - N_GB1_11 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 247 + N_GB1_11 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 247 N_GB1_11 N_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 91 256 - N_GB1_11 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 259 - N_GB1_11 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 260 - N_GB1_11 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 261 - N_GB1_11 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 262 + N_GB1_11 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 259 + N_GB1_11 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 260 + N_GB1_11 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 261 + N_GB1_11 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 262 N_GB1_11 NZ_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 4.705064e-06 0.004395 0.001132 True md_ensemble 7 91 263 N_GB1_11 N_GB1_32 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 91 266 - N_GB1_11 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 269 - N_GB1_11 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 270 + N_GB1_11 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 269 + N_GB1_11 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 270 N_GB1_11 N_GB1_33 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 91 276 - N_GB1_11 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 279 + N_GB1_11 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 279 N_GB1_11 N_GB1_34 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 91 289 - N_GB1_11 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 292 + N_GB1_11 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 292 N_GB1_11 N_GB1_35 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 91 295 - N_GB1_11 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 298 + N_GB1_11 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 298 N_GB1_11 N_GB1_36 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 91 304 - N_GB1_11 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 307 + N_GB1_11 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 307 N_GB1_11 N_GB1_37 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 91 313 - N_GB1_11 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 316 + N_GB1_11 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 316 N_GB1_11 N_GB1_38 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 91 322 - N_GB1_11 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 324 + N_GB1_11 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 324 N_GB1_11 N_GB1_39 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 91 327 - N_GB1_11 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 330 - N_GB1_11 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 331 + N_GB1_11 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 330 + N_GB1_11 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 331 N_GB1_11 CG2_GB1_39 1 3.749263e-03 2.054003e-05 ; 4.198645e-01 1.710924e-01 3.118607e-02 7.296011e-06 0.004395 0.001132 True md_ensemble 7 91 332 N_GB1_11 N_GB1_40 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 91 335 - N_GB1_11 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 338 + N_GB1_11 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 338 N_GB1_11 N_GB1_41 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 91 344 - N_GB1_11 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 346 + N_GB1_11 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 346 N_GB1_11 N_GB1_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 91 349 - N_GB1_11 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 352 - N_GB1_11 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 353 + N_GB1_11 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 352 + N_GB1_11 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 353 N_GB1_11 N_GB1_43 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 91 359 - N_GB1_11 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 362 + N_GB1_11 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 362 N_GB1_11 N_GB1_44 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 91 374 - N_GB1_11 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 377 - N_GB1_11 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 379 + N_GB1_11 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 377 + N_GB1_11 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 379 N_GB1_11 N_GB1_45 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 91 382 - N_GB1_11 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 385 + N_GB1_11 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 385 N_GB1_11 N_GB1_46 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 91 395 - N_GB1_11 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 398 + N_GB1_11 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 398 N_GB1_11 N_GB1_47 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 91 404 - N_GB1_11 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 407 + N_GB1_11 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 407 N_GB1_11 N_GB1_48 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 91 413 - N_GB1_11 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 416 + N_GB1_11 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 416 N_GB1_11 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 91 419 - N_GB1_11 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 422 - N_GB1_11 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 424 + N_GB1_11 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 422 + N_GB1_11 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 424 N_GB1_11 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 91 427 - N_GB1_11 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 430 - N_GB1_11 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 431 - N_GB1_11 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 432 - N_GB1_11 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 433 + N_GB1_11 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 430 + N_GB1_11 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 431 + N_GB1_11 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 432 + N_GB1_11 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 433 N_GB1_11 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 91 434 N_GB1_11 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 91 437 - N_GB1_11 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 440 - N_GB1_11 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 442 + N_GB1_11 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 440 + N_GB1_11 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 442 N_GB1_11 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 91 445 - N_GB1_11 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 448 + N_GB1_11 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 448 N_GB1_11 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 91 457 - N_GB1_11 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 460 - N_GB1_11 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 462 + N_GB1_11 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 460 + N_GB1_11 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 462 N_GB1_11 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 91 465 - N_GB1_11 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 468 - N_GB1_11 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 469 - N_GB1_11 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 470 + N_GB1_11 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 468 + N_GB1_11 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 469 + N_GB1_11 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 470 N_GB1_11 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 91 473 - N_GB1_11 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 476 - N_GB1_11 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 478 + N_GB1_11 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 476 + N_GB1_11 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 478 N_GB1_11 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 91 481 - N_GB1_11 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 484 - N_GB1_11 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 485 + N_GB1_11 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 484 + N_GB1_11 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 91 485 N_GB1_11 OE1_GB1_56 1 7.184889e-04 4.754061e-07 ; 2.951939e-01 2.714660e-01 2.182240e-01 9.995664e-05 0.004395 0.011584 True md_ensemble 7 91 487 N_GB1_11 OE2_GB1_56 1 7.184889e-04 4.754061e-07 ; 2.951939e-01 2.714660e-01 2.182240e-01 9.995664e-05 0.004395 0.011584 True md_ensemble 7 91 488 H_GB1_11 H_GB1_11 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 92 92 - H_GB1_11 OG1_GB1_11 1 0.000000e+00 2.007501e-08 ; 2.034150e-01 -2.007501e-08 8.284497e-01 7.653531e-01 0.004395 0.001132 True md_ensemble 4 92 95 + H_GB1_11 OG1_GB1_11 1 0.000000e+00 2.007510e-08 ; 2.034151e-01 -2.007510e-08 8.284497e-01 7.653531e-01 0.004395 0.001132 True md_ensemble 4 92 95 H_GB1_11 O_GB1_11 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 92 98 H_GB1_11 H_GB1_12 1 0.000000e+00 5.658643e-09 ; 1.830435e-01 -5.658643e-09 9.977024e-01 4.692560e-01 0.004395 0.001132 True md_ensemble 5 92 100 H_GB1_11 O_GB1_12 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 92 107 @@ -15794,15 +15794,15 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 H_GB1_11 OE2_GB1_56 1 9.791345e-06 1.596297e-10 ; 1.592375e-01 1.501450e-01 2.077906e-02 6.328945e-05 0.004395 0.020721 True md_ensemble 7 92 488 H_GB1_11 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 92 490 H_GB1_11 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 92 491 - CA_GB1_11 CB_GB1_12 1 0.000000e+00 3.181365e-05 ; 3.758773e-01 -3.181365e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 93 102 - CA_GB1_11 CG_GB1_12 1 0.000000e+00 6.574760e-05 ; 3.993175e-01 -6.574760e-05 9.915062e-01 9.944329e-01 0.004395 0.001132 True md_ensemble 5 93 103 - CA_GB1_11 CD1_GB1_12 1 0.000000e+00 2.667597e-05 ; 3.704006e-01 -2.667597e-05 8.462647e-02 2.083972e-01 0.004395 0.001132 True md_ensemble 6 93 104 - CA_GB1_11 CD2_GB1_12 1 0.000000e+00 3.191739e-05 ; 3.759793e-01 -3.191739e-05 2.079147e-01 5.524890e-01 0.004395 0.001132 True md_ensemble 6 93 105 - CA_GB1_11 C_GB1_12 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 93 106 - CA_GB1_11 O_GB1_12 1 0.000000e+00 3.728531e-06 ; 3.143811e-01 -3.728531e-06 6.264558e-01 5.241410e-01 0.004395 0.001132 True md_ensemble 5 93 107 - CA_GB1_11 N_GB1_13 1 0.000000e+00 9.201227e-06 ; 3.389603e-01 -9.201227e-06 3.867525e-01 6.014368e-01 0.004395 0.001132 True md_ensemble 5 93 108 - CA_GB1_11 CA_GB1_13 1 0.000000e+00 8.549603e-05 ; 4.081538e-01 -8.549603e-05 2.938884e-01 5.980615e-01 0.004395 0.001132 True md_ensemble 6 93 110 - CA_GB1_11 CB_GB1_13 1 0.000000e+00 3.604527e-05 ; 3.798094e-01 -3.604527e-05 6.918870e-02 2.022013e-01 0.004395 0.007117 True md_ensemble 7 93 111 + CA_GB1_11 CB_GB1_12 1 0.000000e+00 3.181352e-05 ; 3.758772e-01 -3.181352e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 93 102 + CA_GB1_11 CG_GB1_12 1 0.000000e+00 6.574809e-05 ; 3.993177e-01 -6.574809e-05 9.915062e-01 9.944329e-01 0.004395 0.001132 True md_ensemble 5 93 103 + CA_GB1_11 CD1_GB1_12 1 0.000000e+00 2.667596e-05 ; 3.704006e-01 -2.667596e-05 8.462647e-02 2.083972e-01 0.004395 0.001132 True md_ensemble 6 93 104 + CA_GB1_11 CD2_GB1_12 1 0.000000e+00 3.191737e-05 ; 3.759793e-01 -3.191737e-05 2.079147e-01 5.524890e-01 0.004395 0.001132 True md_ensemble 6 93 105 + CA_GB1_11 C_GB1_12 1 0.000000e+00 1.305180e-05 ; 3.489803e-01 -1.305180e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 93 106 + CA_GB1_11 O_GB1_12 1 0.000000e+00 3.728560e-06 ; 3.143813e-01 -3.728560e-06 6.264558e-01 5.241410e-01 0.004395 0.001132 True md_ensemble 5 93 107 + CA_GB1_11 N_GB1_13 1 0.000000e+00 9.201213e-06 ; 3.389602e-01 -9.201213e-06 3.867525e-01 6.014368e-01 0.004395 0.001132 True md_ensemble 5 93 108 + CA_GB1_11 CA_GB1_13 1 0.000000e+00 8.549666e-05 ; 4.081540e-01 -8.549666e-05 2.938884e-01 5.980615e-01 0.004395 0.001132 True md_ensemble 6 93 110 + CA_GB1_11 CB_GB1_13 1 0.000000e+00 3.604512e-05 ; 3.798092e-01 -3.604512e-05 6.918870e-02 2.022013e-01 0.004395 0.007117 True md_ensemble 7 93 111 CA_GB1_11 CG_GB1_13 1 5.727868e-03 6.475403e-05 ; 4.737461e-01 1.266658e-01 3.209137e-01 1.732522e-01 0.004395 0.007117 True md_ensemble 7 93 112 CA_GB1_11 CD_GB1_13 1 6.605823e-03 6.924030e-05 ; 4.678127e-01 1.575560e-01 1.917935e-01 5.689726e-02 0.004395 0.007117 True md_ensemble 7 93 113 CA_GB1_11 CE_GB1_13 1 4.419333e-03 2.908379e-05 ; 4.328948e-01 1.678813e-01 2.246544e-01 5.455741e-02 0.004395 0.007117 True md_ensemble 7 93 114 @@ -15819,127 +15819,127 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CA_GB1_11 CG2_GB1_39 1 1.237564e-02 1.453941e-04 ; 4.767930e-01 2.633472e-01 1.864486e-01 1.988546e-04 0.004395 0.010759 True md_ensemble 7 93 332 CA_GB1_11 OE1_GB1_56 1 1.315053e-03 3.513482e-06 ; 3.725052e-01 1.230521e-01 1.229018e-02 1.000041e-04 0.004395 0.008483 True md_ensemble 7 93 487 CA_GB1_11 OE2_GB1_56 1 1.315053e-03 3.513482e-06 ; 3.725052e-01 1.230521e-01 1.229018e-02 1.000041e-04 0.004395 0.008483 True md_ensemble 7 93 488 - CB_GB1_11 OG1_GB1_11 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 95 - CB_GB1_11 C_GB1_11 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 97 + CB_GB1_11 OG1_GB1_11 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 95 + CB_GB1_11 C_GB1_11 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 97 CB_GB1_11 O_GB1_11 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 98 - CB_GB1_11 N_GB1_12 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 99 - CB_GB1_11 CA_GB1_12 1 0.000000e+00 6.555597e-05 ; 3.992204e-01 -6.555597e-05 9.999913e-01 9.999948e-01 0.004395 0.001132 True md_ensemble 4 94 101 - CB_GB1_11 CB_GB1_12 1 0.000000e+00 2.922160e-05 ; 3.732247e-01 -2.922160e-05 9.999824e-01 9.185062e-01 0.004395 0.001132 True md_ensemble 5 94 102 - CB_GB1_11 CG_GB1_12 1 0.000000e+00 6.524564e-05 ; 3.990625e-01 -6.524564e-05 7.024264e-01 6.976960e-01 0.004395 0.001132 True md_ensemble 6 94 103 + CB_GB1_11 N_GB1_12 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 99 + CB_GB1_11 CA_GB1_12 1 0.000000e+00 6.555645e-05 ; 3.992206e-01 -6.555645e-05 9.999913e-01 9.999948e-01 0.004395 0.001132 True md_ensemble 4 94 101 + CB_GB1_11 CB_GB1_12 1 0.000000e+00 2.922147e-05 ; 3.732245e-01 -2.922147e-05 9.999824e-01 9.185062e-01 0.004395 0.001132 True md_ensemble 5 94 102 + CB_GB1_11 CG_GB1_12 1 0.000000e+00 6.524612e-05 ; 3.990628e-01 -6.524612e-05 7.024264e-01 6.976960e-01 0.004395 0.001132 True md_ensemble 6 94 103 CB_GB1_11 CD1_GB1_12 1 3.119467e-03 1.792884e-05 ; 4.232321e-01 1.356902e-01 1.450224e-01 9.936809e-02 0.004395 0.010759 True md_ensemble 7 94 104 CB_GB1_11 CD2_GB1_12 1 1.794556e-03 7.072593e-06 ; 3.974388e-01 1.138348e-01 2.134592e-01 2.234112e-01 0.004395 0.010759 True md_ensemble 7 94 105 - CB_GB1_11 C_GB1_12 1 0.000000e+00 1.344835e-05 ; 3.498518e-01 -1.344835e-05 6.246144e-01 6.549921e-01 0.004395 0.001132 True md_ensemble 5 94 106 - CB_GB1_11 O_GB1_12 1 0.000000e+00 5.075068e-06 ; 3.225634e-01 -5.075068e-06 7.093132e-03 2.289721e-01 0.004395 0.001132 True md_ensemble 6 94 107 - CB_GB1_11 N_GB1_13 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 108 - CB_GB1_11 CG_GB1_13 1 0.000000e+00 3.594822e-05 ; 3.797241e-01 -3.594822e-05 6.006635e-03 1.359687e-01 0.004395 0.007117 True md_ensemble 7 94 112 - CB_GB1_11 CD_GB1_13 1 0.000000e+00 3.413703e-05 ; 3.780917e-01 -3.413703e-05 5.828452e-03 7.885919e-02 0.004395 0.007117 True md_ensemble 7 94 113 - CB_GB1_11 CE_GB1_13 1 0.000000e+00 3.324219e-05 ; 3.772557e-01 -3.324219e-05 2.445478e-02 6.935796e-02 0.004395 0.007117 True md_ensemble 7 94 114 - CB_GB1_11 NZ_GB1_13 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 115 - CB_GB1_11 C_GB1_13 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 116 + CB_GB1_11 C_GB1_12 1 0.000000e+00 1.344828e-05 ; 3.498516e-01 -1.344828e-05 6.246144e-01 6.549921e-01 0.004395 0.001132 True md_ensemble 5 94 106 + CB_GB1_11 O_GB1_12 1 0.000000e+00 5.075108e-06 ; 3.225637e-01 -5.075108e-06 7.093132e-03 2.289721e-01 0.004395 0.001132 True md_ensemble 6 94 107 + CB_GB1_11 N_GB1_13 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 108 + CB_GB1_11 CG_GB1_13 1 0.000000e+00 3.594807e-05 ; 3.797239e-01 -3.594807e-05 6.006635e-03 1.359687e-01 0.004395 0.007117 True md_ensemble 7 94 112 + CB_GB1_11 CD_GB1_13 1 0.000000e+00 3.413688e-05 ; 3.780916e-01 -3.413688e-05 5.828452e-03 7.885919e-02 0.004395 0.007117 True md_ensemble 7 94 113 + CB_GB1_11 CE_GB1_13 1 0.000000e+00 3.324205e-05 ; 3.772556e-01 -3.324205e-05 2.445478e-02 6.935796e-02 0.004395 0.007117 True md_ensemble 7 94 114 + CB_GB1_11 NZ_GB1_13 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 115 + CB_GB1_11 C_GB1_13 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 116 CB_GB1_11 O_GB1_13 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 5.632451e-02 0.004395 0.007862 True md_ensemble 7 94 117 - CB_GB1_11 N_GB1_14 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 118 - CB_GB1_11 C_GB1_14 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 121 + CB_GB1_11 N_GB1_14 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 118 + CB_GB1_11 C_GB1_14 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 121 CB_GB1_11 O_GB1_14 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.374504e-02 0.004395 0.007862 True md_ensemble 7 94 122 - CB_GB1_11 N_GB1_15 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 123 - CB_GB1_11 CD_GB1_15 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 128 - CB_GB1_11 OE1_GB1_15 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 129 - CB_GB1_11 OE2_GB1_15 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 130 - CB_GB1_11 C_GB1_15 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 131 + CB_GB1_11 N_GB1_15 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 123 + CB_GB1_11 CD_GB1_15 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 128 + CB_GB1_11 OE1_GB1_15 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 129 + CB_GB1_11 OE2_GB1_15 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 130 + CB_GB1_11 C_GB1_15 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 131 CB_GB1_11 O_GB1_15 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.505227e-02 0.004395 0.007862 True md_ensemble 7 94 132 - CB_GB1_11 N_GB1_16 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 133 - CB_GB1_11 OG1_GB1_16 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 137 - CB_GB1_11 C_GB1_16 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 139 + CB_GB1_11 N_GB1_16 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 133 + CB_GB1_11 OG1_GB1_16 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 137 + CB_GB1_11 C_GB1_16 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 139 CB_GB1_11 O_GB1_16 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 4.350408e-03 0.004395 0.007862 True md_ensemble 7 94 140 - CB_GB1_11 N_GB1_17 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 141 - CB_GB1_11 OG1_GB1_17 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 145 - CB_GB1_11 C_GB1_17 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 147 + CB_GB1_11 N_GB1_17 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 141 + CB_GB1_11 OG1_GB1_17 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 145 + CB_GB1_11 C_GB1_17 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 147 CB_GB1_11 O_GB1_17 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 7.121918e-04 0.004395 0.007862 True md_ensemble 7 94 148 - CB_GB1_11 N_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 149 - CB_GB1_11 OG1_GB1_18 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 153 - CB_GB1_11 C_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 155 + CB_GB1_11 N_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 149 + CB_GB1_11 OG1_GB1_18 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 153 + CB_GB1_11 C_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 155 CB_GB1_11 O_GB1_18 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.150317e-03 0.004395 0.007862 True md_ensemble 7 94 156 - CB_GB1_11 N_GB1_19 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 157 - CB_GB1_11 CD_GB1_19 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 162 - CB_GB1_11 OE1_GB1_19 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 163 - CB_GB1_11 OE2_GB1_19 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 164 - CB_GB1_11 C_GB1_19 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 165 + CB_GB1_11 N_GB1_19 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 157 + CB_GB1_11 CD_GB1_19 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 162 + CB_GB1_11 OE1_GB1_19 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 163 + CB_GB1_11 OE2_GB1_19 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 164 + CB_GB1_11 C_GB1_19 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 165 CB_GB1_11 O_GB1_19 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 8.807640e-04 0.004395 0.007862 True md_ensemble 7 94 166 - CB_GB1_11 N_GB1_20 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 167 - CB_GB1_11 C_GB1_20 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 171 + CB_GB1_11 N_GB1_20 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 167 + CB_GB1_11 C_GB1_20 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 171 CB_GB1_11 O_GB1_20 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 5.009340e-04 0.004395 0.007862 True md_ensemble 7 94 172 - CB_GB1_11 N_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 173 - CB_GB1_11 C_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 179 + CB_GB1_11 N_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 173 + CB_GB1_11 C_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 179 CB_GB1_11 O_GB1_21 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 4.001607e-04 0.004395 0.007862 True md_ensemble 7 94 180 - CB_GB1_11 N_GB1_22 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 181 - CB_GB1_11 CG_GB1_22 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 185 - CB_GB1_11 OD1_GB1_22 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 186 - CB_GB1_11 OD2_GB1_22 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 187 - CB_GB1_11 C_GB1_22 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 188 + CB_GB1_11 N_GB1_22 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 181 + CB_GB1_11 CG_GB1_22 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 185 + CB_GB1_11 OD1_GB1_22 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 186 + CB_GB1_11 OD2_GB1_22 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 187 + CB_GB1_11 C_GB1_22 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 188 CB_GB1_11 O_GB1_22 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.937690e-04 0.004395 0.007862 True md_ensemble 7 94 189 - CB_GB1_11 N_GB1_23 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 190 - CB_GB1_11 C_GB1_23 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 194 + CB_GB1_11 N_GB1_23 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 190 + CB_GB1_11 C_GB1_23 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 194 CB_GB1_11 O_GB1_23 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 6.020829e-04 0.004395 0.007862 True md_ensemble 7 94 195 - CB_GB1_11 N_GB1_24 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 196 - CB_GB1_11 C_GB1_24 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 200 + CB_GB1_11 N_GB1_24 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 196 + CB_GB1_11 C_GB1_24 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 200 CB_GB1_11 O_GB1_24 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 5.756580e-04 0.004395 0.007862 True md_ensemble 7 94 201 - CB_GB1_11 N_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 202 - CB_GB1_11 OG1_GB1_25 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 206 - CB_GB1_11 C_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 208 + CB_GB1_11 N_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 202 + CB_GB1_11 OG1_GB1_25 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 206 + CB_GB1_11 C_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 208 CB_GB1_11 O_GB1_25 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.061326e-04 0.004395 0.007862 True md_ensemble 7 94 209 - CB_GB1_11 N_GB1_26 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 210 - CB_GB1_11 C_GB1_26 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 214 + CB_GB1_11 N_GB1_26 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 210 + CB_GB1_11 C_GB1_26 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 214 CB_GB1_11 O_GB1_26 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.178976e-04 0.004395 0.007862 True md_ensemble 7 94 215 - CB_GB1_11 N_GB1_27 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 216 - CB_GB1_11 CD_GB1_27 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 221 - CB_GB1_11 OE1_GB1_27 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 222 - CB_GB1_11 OE2_GB1_27 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 223 - CB_GB1_11 C_GB1_27 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 224 + CB_GB1_11 N_GB1_27 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 216 + CB_GB1_11 CD_GB1_27 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 221 + CB_GB1_11 OE1_GB1_27 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 222 + CB_GB1_11 OE2_GB1_27 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 223 + CB_GB1_11 C_GB1_27 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 224 CB_GB1_11 O_GB1_27 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.038266e-04 0.004395 0.007862 True md_ensemble 7 94 225 - CB_GB1_11 N_GB1_28 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 226 - CB_GB1_11 NZ_GB1_28 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 233 - CB_GB1_11 C_GB1_28 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 234 + CB_GB1_11 N_GB1_28 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 226 + CB_GB1_11 NZ_GB1_28 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 233 + CB_GB1_11 C_GB1_28 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 234 CB_GB1_11 O_GB1_28 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 6.189868e-06 0.004395 0.007862 True md_ensemble 7 94 235 - CB_GB1_11 N_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 236 - CB_GB1_11 C_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 242 + CB_GB1_11 N_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 236 + CB_GB1_11 C_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 242 CB_GB1_11 O_GB1_29 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.030070e-04 0.004395 0.007862 True md_ensemble 7 94 243 - CB_GB1_11 N_GB1_30 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 244 - CB_GB1_11 C_GB1_30 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 254 + CB_GB1_11 N_GB1_30 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 244 + CB_GB1_11 C_GB1_30 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 254 CB_GB1_11 O_GB1_30 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.371019e-04 0.004395 0.007862 True md_ensemble 7 94 255 - CB_GB1_11 N_GB1_31 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 256 - CB_GB1_11 NZ_GB1_31 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 263 - CB_GB1_11 C_GB1_31 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 264 + CB_GB1_11 N_GB1_31 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 256 + CB_GB1_11 NZ_GB1_31 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 263 + CB_GB1_11 C_GB1_31 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 264 CB_GB1_11 O_GB1_31 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.996624e-04 0.004395 0.007862 True md_ensemble 7 94 265 - CB_GB1_11 N_GB1_32 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 266 - CB_GB1_11 CD_GB1_32 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 271 + CB_GB1_11 N_GB1_32 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 266 + CB_GB1_11 CD_GB1_32 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 271 CB_GB1_11 OE1_GB1_32 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 5.155054e-04 0.004395 0.007862 True md_ensemble 7 94 272 - CB_GB1_11 NE2_GB1_32 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 273 - CB_GB1_11 C_GB1_32 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 274 + CB_GB1_11 NE2_GB1_32 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 273 + CB_GB1_11 C_GB1_32 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 274 CB_GB1_11 O_GB1_32 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.106971e-05 0.004395 0.007862 True md_ensemble 7 94 275 - CB_GB1_11 N_GB1_33 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 276 - CB_GB1_11 OH_GB1_33 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 286 - CB_GB1_11 C_GB1_33 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 287 + CB_GB1_11 N_GB1_33 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 276 + CB_GB1_11 OH_GB1_33 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 286 + CB_GB1_11 C_GB1_33 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 287 CB_GB1_11 O_GB1_33 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.816590e-04 0.004395 0.007862 True md_ensemble 7 94 288 - CB_GB1_11 N_GB1_34 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 289 - CB_GB1_11 C_GB1_34 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 293 + CB_GB1_11 N_GB1_34 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 289 + CB_GB1_11 C_GB1_34 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 293 CB_GB1_11 O_GB1_34 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.997598e-04 0.004395 0.007862 True md_ensemble 7 94 294 - CB_GB1_11 N_GB1_35 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 295 - CB_GB1_11 CG_GB1_35 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 299 + CB_GB1_11 N_GB1_35 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 295 + CB_GB1_11 CG_GB1_35 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 299 CB_GB1_11 OD1_GB1_35 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.199762e-04 0.004395 0.007862 True md_ensemble 7 94 300 - CB_GB1_11 ND2_GB1_35 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 301 - CB_GB1_11 C_GB1_35 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 302 + CB_GB1_11 ND2_GB1_35 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 301 + CB_GB1_11 C_GB1_35 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 302 CB_GB1_11 O_GB1_35 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.999056e-04 0.004395 0.007862 True md_ensemble 7 94 303 - CB_GB1_11 N_GB1_36 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 304 - CB_GB1_11 CG_GB1_36 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 308 - CB_GB1_11 OD1_GB1_36 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 309 - CB_GB1_11 OD2_GB1_36 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 310 - CB_GB1_11 C_GB1_36 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 311 + CB_GB1_11 N_GB1_36 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 304 + CB_GB1_11 CG_GB1_36 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 308 + CB_GB1_11 OD1_GB1_36 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 309 + CB_GB1_11 OD2_GB1_36 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 310 + CB_GB1_11 C_GB1_36 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 311 CB_GB1_11 O_GB1_36 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 94 312 - CB_GB1_11 N_GB1_37 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 313 + CB_GB1_11 N_GB1_37 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 313 CB_GB1_11 CA_GB1_37 1 1.441774e-02 1.920831e-04 ; 4.868913e-01 2.705485e-01 2.143774e-01 1.000586e-04 0.004395 0.006476 True md_ensemble 7 94 315 CB_GB1_11 CB_GB1_37 1 1.014155e-02 9.731703e-05 ; 4.609786e-01 2.642162e-01 1.896158e-01 3.996298e-04 0.004395 0.007117 True md_ensemble 7 94 316 CB_GB1_11 CG_GB1_37 1 4.693205e-03 4.881349e-05 ; 4.672096e-01 1.128078e-01 1.007679e-02 3.423511e-04 0.004395 0.001132 True md_ensemble 7 94 317 CB_GB1_11 OD1_GB1_37 1 1.077512e-03 4.074325e-06 ; 3.947047e-01 7.124077e-02 4.502065e-03 1.999728e-04 0.004395 0.007862 True md_ensemble 7 94 318 - CB_GB1_11 ND2_GB1_37 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 319 + CB_GB1_11 ND2_GB1_37 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 319 CB_GB1_11 C_GB1_37 1 4.582003e-03 1.938440e-05 ; 4.021606e-01 2.707686e-01 2.152940e-01 0.000000e+00 0.004395 0.001132 True md_ensemble 7 94 320 CB_GB1_11 O_GB1_37 1 6.876894e-04 4.300267e-07 ; 2.924268e-01 2.749345e-01 2.333996e-01 0.000000e+00 0.004395 0.007862 True md_ensemble 7 94 321 CB_GB1_11 N_GB1_38 1 8.453657e-03 7.253634e-05 ; 4.524652e-01 2.463052e-01 1.339985e-01 0.000000e+00 0.004395 0.001132 True md_ensemble 7 94 322 @@ -15950,162 +15950,162 @@ OE2_GB1_56 8 15.9994 0.0 A 1.573496e-04 5.158094e-08 CB_GB1_11 CA_GB1_39 1 1.840406e-02 3.169847e-04 ; 5.081838e-01 2.671338e-01 2.006478e-01 1.000551e-04 0.004395 0.006476 True md_ensemble 7 94 329 CB_GB1_11 CB_GB1_39 1 2.394989e-02 5.466225e-04 ; 5.325953e-01 2.623371e-01 1.828335e-01 7.320648e-04 0.004395 0.006476 True md_ensemble 7 94 330 CB_GB1_11 CG2_GB1_39 1 5.637775e-03 2.931194e-05 ; 4.162199e-01 2.710884e-01 2.166328e-01 5.066613e-04 0.004395 0.010759 True md_ensemble 7 94 332 - CB_GB1_11 C_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 333 + CB_GB1_11 C_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 333 CB_GB1_11 O_GB1_39 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.094106e-05 0.004395 0.007862 True md_ensemble 7 94 334 - CB_GB1_11 N_GB1_40 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 335 - CB_GB1_11 CG_GB1_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 339 - CB_GB1_11 OD1_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 340 - CB_GB1_11 OD2_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 341 - CB_GB1_11 C_GB1_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 342 + CB_GB1_11 N_GB1_40 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 335 + CB_GB1_11 CG_GB1_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 339 + CB_GB1_11 OD1_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 340 + CB_GB1_11 OD2_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 341 + CB_GB1_11 C_GB1_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 342 CB_GB1_11 O_GB1_40 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 94 343 - CB_GB1_11 N_GB1_41 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 344 - CB_GB1_11 C_GB1_41 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 347 + CB_GB1_11 N_GB1_41 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 344 + CB_GB1_11 C_GB1_41 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 347 CB_GB1_11 O_GB1_41 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.000212e-04 0.004395 0.007862 True md_ensemble 7 94 348 - CB_GB1_11 N_GB1_42 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 349 - CB_GB1_11 CD_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 354 - CB_GB1_11 OE1_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 355 - CB_GB1_11 OE2_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 356 - CB_GB1_11 C_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 357 + CB_GB1_11 N_GB1_42 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 349 + CB_GB1_11 CD_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 354 + CB_GB1_11 OE1_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 355 + CB_GB1_11 OE2_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 356 + CB_GB1_11 C_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 357 CB_GB1_11 O_GB1_42 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.998636e-04 0.004395 0.007862 True md_ensemble 7 94 358 - CB_GB1_11 N_GB1_43 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 359 - CB_GB1_11 NE1_GB1_43 1 0.000000e+00 9.937288e-06 ; 8.853117e-06 -9.937288e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 366 - CB_GB1_11 C_GB1_43 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 372 + CB_GB1_11 N_GB1_43 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 359 + CB_GB1_11 NE1_GB1_43 1 0.000000e+00 9.937231e-06 ; 8.853066e-06 -9.937231e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 366 + CB_GB1_11 C_GB1_43 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 372 CB_GB1_11 O_GB1_43 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 9.992816e-05 0.004395 0.007862 True md_ensemble 7 94 373 - CB_GB1_11 N_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 374 - CB_GB1_11 OG1_GB1_44 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 378 - CB_GB1_11 C_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 380 + CB_GB1_11 N_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 374 + CB_GB1_11 OG1_GB1_44 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 378 + CB_GB1_11 C_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 380 CB_GB1_11 O_GB1_44 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.000503e-04 0.004395 0.007862 True md_ensemble 7 94 381 - CB_GB1_11 N_GB1_45 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 382 - CB_GB1_11 OH_GB1_45 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 392 - CB_GB1_11 C_GB1_45 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 393 + CB_GB1_11 N_GB1_45 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 382 + CB_GB1_11 OH_GB1_45 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 392 + CB_GB1_11 C_GB1_45 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 393 CB_GB1_11 O_GB1_45 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.165014e-05 0.004395 0.007862 True md_ensemble 7 94 394 - CB_GB1_11 N_GB1_46 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 395 - CB_GB1_11 CG_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 399 - CB_GB1_11 OD1_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 400 - CB_GB1_11 OD2_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 401 - CB_GB1_11 C_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 402 + CB_GB1_11 N_GB1_46 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 395 + CB_GB1_11 CG_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 399 + CB_GB1_11 OD1_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 400 + CB_GB1_11 OD2_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 401 + CB_GB1_11 C_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 402 CB_GB1_11 O_GB1_46 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 9.643004e-05 0.004395 0.007862 True md_ensemble 7 94 403 - CB_GB1_11 N_GB1_47 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 404 - CB_GB1_11 CG_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 408 - CB_GB1_11 OD1_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 409 - CB_GB1_11 OD2_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 410 - CB_GB1_11 C_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 411 + CB_GB1_11 N_GB1_47 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 404 + CB_GB1_11 CG_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 408 + CB_GB1_11 OD1_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 409 + CB_GB1_11 OD2_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 410 + CB_GB1_11 C_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 411 CB_GB1_11 O_GB1_47 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 9.970734e-05 0.004395 0.007862 True md_ensemble 7 94 412 - CB_GB1_11 N_GB1_48 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 413 - CB_GB1_11 C_GB1_48 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 417 + CB_GB1_11 N_GB1_48 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 413 + CB_GB1_11 C_GB1_48 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 417 CB_GB1_11 O_GB1_48 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.787229e-05 0.004395 0.007862 True md_ensemble 7 94 418 - CB_GB1_11 N_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 419 - CB_GB1_11 OG1_GB1_49 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 423 - CB_GB1_11 C_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 425 + CB_GB1_11 N_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 419 + CB_GB1_11 OG1_GB1_49 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 423 + CB_GB1_11 C_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 425 CB_GB1_11 O_GB1_49 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.664268e-04 0.004395 0.007862 True md_ensemble 7 94 426 - CB_GB1_11 N_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 427 - CB_GB1_11 NZ_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 434 - CB_GB1_11 C_GB1_50 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 435 + CB_GB1_11 N_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 427 + CB_GB1_11 NZ_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 434 + CB_GB1_11 C_GB1_50 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 435 CB_GB1_11 O_GB1_50 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.993018e-04 0.004395 0.007862 True md_ensemble 7 94 436 - CB_GB1_11 N_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 437 - CB_GB1_11 OG1_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 441 - CB_GB1_11 C_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 443 + CB_GB1_11 N_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 437 + CB_GB1_11 OG1_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 441 + CB_GB1_11 C_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 443 CB_GB1_11 O_GB1_51 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 94 444 - CB_GB1_11 N_GB1_52 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 445 - CB_GB1_11 C_GB1_52 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 455 + CB_GB1_11 N_GB1_52 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 445 + CB_GB1_11 C_GB1_52 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 455 CB_GB1_11 O_GB1_52 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.000234e-04 0.004395 0.007862 True md_ensemble 7 94 456 - CB_GB1_11 N_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 457 - CB_GB1_11 OG1_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 461 - CB_GB1_11 C_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 463 + CB_GB1_11 N_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 457 + CB_GB1_11 OG1_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 461 + CB_GB1_11 C_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 463 CB_GB1_11 O_GB1_53 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.000637e-04 0.004395 0.007862 True md_ensemble 7 94 464 - CB_GB1_11 N_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 465 - CB_GB1_11 C_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 471 + CB_GB1_11 N_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 465 + CB_GB1_11 C_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 471 CB_GB1_11 O_GB1_54 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 5.908121e-05 0.004395 0.007862 True md_ensemble 7 94 472 - CB_GB1_11 N_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 473 - CB_GB1_11 OG1_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 477 - CB_GB1_11 C_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 479 + CB_GB1_11 N_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 473 + CB_GB1_11 OG1_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 477 + CB_GB1_11 C_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 479 CB_GB1_11 O_GB1_55 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.053403e-04 0.004395 0.007862 True md_ensemble 7 94 480 - CB_GB1_11 N_GB1_56 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 481 - CB_GB1_11 CD_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 486 + CB_GB1_11 N_GB1_56 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 481 + CB_GB1_11 CD_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 486 CB_GB1_11 OE1_GB1_56 1 6.323039e-04 8.597772e-07 ; 3.328460e-01 1.162535e-01 1.077277e-02 1.258144e-04 0.004395 0.001132 True md_ensemble 7 94 487 CB_GB1_11 OE2_GB1_56 1 6.323039e-04 8.597772e-07 ; 3.328460e-01 1.162535e-01 1.077277e-02 1.258144e-04 0.004395 0.001132 True md_ensemble 7 94 488 - CB_GB1_11 C_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 489 - CB_GB1_11 O1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 490 - CB_GB1_11 O2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 491 -OG1_GB1_11 CG2_GB1_11 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 96 -OG1_GB1_11 O_GB1_11 1 0.000000e+00 4.232603e-07 ; 2.622481e-01 -4.232603e-07 5.517642e-01 7.164676e-01 0.004395 0.001132 True md_ensemble 4 95 98 -OG1_GB1_11 N_GB1_12 1 0.000000e+00 6.044754e-07 ; 2.701531e-01 -6.044754e-07 8.096456e-01 7.216937e-01 0.004395 0.001132 True md_ensemble 4 95 99 -OG1_GB1_11 H_GB1_12 1 0.000000e+00 1.744094e-08 ; 2.010446e-01 -1.744094e-08 3.604709e-01 1.744416e-01 0.004395 0.001132 True md_ensemble 5 95 100 -OG1_GB1_11 CA_GB1_12 1 0.000000e+00 5.834517e-06 ; 3.263338e-01 -5.834517e-06 5.570855e-01 5.743072e-01 0.004395 0.001132 True md_ensemble 5 95 101 + CB_GB1_11 C_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 489 + CB_GB1_11 O1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 490 + CB_GB1_11 O2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 94 491 +OG1_GB1_11 CG2_GB1_11 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 96 +OG1_GB1_11 O_GB1_11 1 0.000000e+00 4.232592e-07 ; 2.622480e-01 -4.232592e-07 5.517642e-01 7.164676e-01 0.004395 0.001132 True md_ensemble 4 95 98 +OG1_GB1_11 N_GB1_12 1 0.000000e+00 6.044680e-07 ; 2.701528e-01 -6.044680e-07 8.096456e-01 7.216937e-01 0.004395 0.001132 True md_ensemble 4 95 99 +OG1_GB1_11 H_GB1_12 1 0.000000e+00 1.744102e-08 ; 2.010447e-01 -1.744102e-08 3.604709e-01 1.744416e-01 0.004395 0.001132 True md_ensemble 5 95 100 +OG1_GB1_11 CA_GB1_12 1 0.000000e+00 5.834498e-06 ; 3.263337e-01 -5.834498e-06 5.570855e-01 5.743072e-01 0.004395 0.001132 True md_ensemble 5 95 101 OG1_GB1_11 CB_GB1_12 1 8.121021e-04 2.352757e-06 ; 3.775673e-01 7.007840e-02 4.286770e-01 1.102077e-01 0.004395 0.001132 True md_ensemble 6 95 102 -OG1_GB1_11 CG_GB1_12 1 0.000000e+00 6.271347e-06 ; 3.283032e-01 -6.271347e-06 8.189298e-02 1.752740e-01 0.004395 0.001132 True md_ensemble 7 95 103 -OG1_GB1_11 CD1_GB1_12 1 0.000000e+00 2.089116e-06 ; 2.995656e-01 -2.089116e-06 2.573453e-02 3.160367e-02 0.004395 0.001132 True md_ensemble 7 95 104 -OG1_GB1_11 CD2_GB1_12 1 0.000000e+00 2.140450e-06 ; 3.001722e-01 -2.140450e-06 3.882127e-02 6.940650e-02 0.004395 0.001132 True md_ensemble 7 95 105 +OG1_GB1_11 CG_GB1_12 1 0.000000e+00 6.271326e-06 ; 3.283031e-01 -6.271326e-06 8.189298e-02 1.752740e-01 0.004395 0.001132 True md_ensemble 7 95 103 +OG1_GB1_11 CD1_GB1_12 1 0.000000e+00 2.089093e-06 ; 2.995653e-01 -2.089093e-06 2.573453e-02 3.160367e-02 0.004395 0.001132 True md_ensemble 7 95 104 +OG1_GB1_11 CD2_GB1_12 1 0.000000e+00 2.140425e-06 ; 3.001719e-01 -2.140425e-06 3.882127e-02 6.940650e-02 0.004395 0.001132 True md_ensemble 7 95 105 OG1_GB1_11 C_GB1_12 1 0.000000e+00 1.141961e-06 ; 2.848607e-01 -1.141961e-06 1.814030e-03 7.340257e-02 0.004395 0.001132 True md_ensemble 6 95 106 OG1_GB1_11 H_GB1_13 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 109 -OG1_GB1_11 CB_GB1_13 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 111 -OG1_GB1_11 CG_GB1_13 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 112 -OG1_GB1_11 CD_GB1_13 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 113 -OG1_GB1_11 CE_GB1_13 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 114 +OG1_GB1_11 CB_GB1_13 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 111 +OG1_GB1_11 CG_GB1_13 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 112 +OG1_GB1_11 CD_GB1_13 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 113 +OG1_GB1_11 CE_GB1_13 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 114 OG1_GB1_11 H_GB1_14 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 119 -OG1_GB1_11 CA_GB1_14 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 120 +OG1_GB1_11 CA_GB1_14 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 120 OG1_GB1_11 H_GB1_15 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 124 -OG1_GB1_11 CB_GB1_15 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 126 -OG1_GB1_11 CG_GB1_15 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 127 +OG1_GB1_11 CB_GB1_15 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 126 +OG1_GB1_11 CG_GB1_15 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 127 OG1_GB1_11 H_GB1_16 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 134 -OG1_GB1_11 CB_GB1_16 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 136 -OG1_GB1_11 CG2_GB1_16 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 138 +OG1_GB1_11 CB_GB1_16 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 136 +OG1_GB1_11 CG2_GB1_16 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 138 OG1_GB1_11 H_GB1_17 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 142 -OG1_GB1_11 CB_GB1_17 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 144 -OG1_GB1_11 CG2_GB1_17 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 146 +OG1_GB1_11 CB_GB1_17 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 144 +OG1_GB1_11 CG2_GB1_17 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 146 OG1_GB1_11 H_GB1_18 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 150 -OG1_GB1_11 CB_GB1_18 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 152 -OG1_GB1_11 CG2_GB1_18 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 154 +OG1_GB1_11 CB_GB1_18 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 152 +OG1_GB1_11 CG2_GB1_18 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 154 OG1_GB1_11 H_GB1_19 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 158 -OG1_GB1_11 CB_GB1_19 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 160 -OG1_GB1_11 CG_GB1_19 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 161 +OG1_GB1_11 CB_GB1_19 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 160 +OG1_GB1_11 CG_GB1_19 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 161 OG1_GB1_11 H_GB1_20 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 168 -OG1_GB1_11 CB_GB1_20 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 170 +OG1_GB1_11 CB_GB1_20 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 170 OG1_GB1_11 H_GB1_21 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 174 -OG1_GB1_11 CB_GB1_21 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 176 -OG1_GB1_11 CG1_GB1_21 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 177 -OG1_GB1_11 CG2_GB1_21 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 178 +OG1_GB1_11 CB_GB1_21 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 176 +OG1_GB1_11 CG1_GB1_21 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 177 +OG1_GB1_11 CG2_GB1_21 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 178 OG1_GB1_11 H_GB1_22 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 182 -OG1_GB1_11 CB_GB1_22 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 184 +OG1_GB1_11 CB_GB1_22 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 184 OG1_GB1_11 H_GB1_23 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 191 -OG1_GB1_11 CB_GB1_23 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 193 +OG1_GB1_11 CB_GB1_23 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 193 OG1_GB1_11 H_GB1_24 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 197 -OG1_GB1_11 CB_GB1_24 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 199 +OG1_GB1_11 CB_GB1_24 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 199 OG1_GB1_11 H_GB1_25 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 203 -OG1_GB1_11 CB_GB1_25 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 205 -OG1_GB1_11 CG2_GB1_25 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 207 +OG1_GB1_11 CB_GB1_25 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 205 +OG1_GB1_11 CG2_GB1_25 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 207 OG1_GB1_11 H_GB1_26 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 211 -OG1_GB1_11 CB_GB1_26 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 213 +OG1_GB1_11 CB_GB1_26 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 213 OG1_GB1_11 H_GB1_27 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 217 -OG1_GB1_11 CB_GB1_27 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 219 -OG1_GB1_11 CG_GB1_27 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 220 +OG1_GB1_11 CB_GB1_27 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 219 +OG1_GB1_11 CG_GB1_27 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 220 OG1_GB1_11 H_GB1_28 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 227 -OG1_GB1_11 CB_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 229 -OG1_GB1_11 CG_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 230 -OG1_GB1_11 CD_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 231 -OG1_GB1_11 CE_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 232 +OG1_GB1_11 CB_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 229 +OG1_GB1_11 CG_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 230 +OG1_GB1_11 CD_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 231 +OG1_GB1_11 CE_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 232 OG1_GB1_11 H_GB1_29 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 237 -OG1_GB1_11 CB_GB1_29 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 239 -OG1_GB1_11 CG1_GB1_29 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 240 -OG1_GB1_11 CG2_GB1_29 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 241 +OG1_GB1_11 CB_GB1_29 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 239 +OG1_GB1_11 CG1_GB1_29 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 240 +OG1_GB1_11 CG2_GB1_29 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 241 OG1_GB1_11 H_GB1_30 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 245 -OG1_GB1_11 CB_GB1_30 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 247 +OG1_GB1_11 CB_GB1_30 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 247 OG1_GB1_11 H_GB1_31 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 257 -OG1_GB1_11 CB_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 259 -OG1_GB1_11 CG_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 260 -OG1_GB1_11 CD_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 261 -OG1_GB1_11 CE_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 262 +OG1_GB1_11 CB_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 259 +OG1_GB1_11 CG_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 260 +OG1_GB1_11 CD_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 261 +OG1_GB1_11 CE_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 262 OG1_GB1_11 H_GB1_32 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 267 -OG1_GB1_11 CB_GB1_32 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 269 -OG1_GB1_11 CG_GB1_32 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 270 +OG1_GB1_11 CB_GB1_32 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 269 +OG1_GB1_11 CG_GB1_32 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 270 OG1_GB1_11 H_GB1_33 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 277 -OG1_GB1_11 CB_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 279 +OG1_GB1_11 CB_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 279 OG1_GB1_11 H_GB1_34 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 290 -OG1_GB1_11 CB_GB1_34 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 292 +OG1_GB1_11 CB_GB1_34 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 292 OG1_GB1_11 H_GB1_35 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 296 -OG1_GB1_11 CB_GB1_35 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 298 +OG1_GB1_11 CB_GB1_35 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 298 OG1_GB1_11 H_GB1_36 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 305 -OG1_GB1_11 CB_GB1_36 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 307 +OG1_GB1_11 CB_GB1_36 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 307 OG1_GB1_11 H_GB1_37 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 314 OG1_GB1_11 CA_GB1_37 1 5.480062e-03 2.852271e-05 ; 4.162947e-01 2.632208e-01 1.859923e-01 0.000000e+00 0.004395 0.008483 True md_ensemble 7 95 315 OG1_GB1_11 CB_GB1_37 1 2.285287e-03 5.466152e-06 ; 3.656988e-01 2.388579e-01 1.159868e-01 1.000572e-04 0.004395 0.001132 True md_ensemble 7 95 316 @@ -16123,170 +16123,170 @@ OG1_GB1_11 CB_GB1_39 1 4.705268e-03 2.094594e-05 ; 4.055888e-01 2.642463e- OG1_GB1_11 CG1_GB1_39 1 4.649694e-04 7.161427e-07 ; 3.398306e-01 7.547257e-02 4.886917e-03 9.991294e-05 0.004395 0.001132 True md_ensemble 7 95 331 OG1_GB1_11 CG2_GB1_39 1 7.979026e-04 5.914962e-07 ; 3.008387e-01 2.690840e-01 2.083776e-01 9.991304e-05 0.004395 0.001132 True md_ensemble 7 95 332 OG1_GB1_11 H_GB1_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 336 -OG1_GB1_11 CB_GB1_40 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 338 +OG1_GB1_11 CB_GB1_40 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 338 OG1_GB1_11 H_GB1_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 345 -OG1_GB1_11 CA_GB1_41 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 346 +OG1_GB1_11 CA_GB1_41 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 346 OG1_GB1_11 H_GB1_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 350 -OG1_GB1_11 CB_GB1_42 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 352 -OG1_GB1_11 CG_GB1_42 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 353 +OG1_GB1_11 CB_GB1_42 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 352 +OG1_GB1_11 CG_GB1_42 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 353 OG1_GB1_11 H_GB1_43 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 360 -OG1_GB1_11 CB_GB1_43 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 362 +OG1_GB1_11 CB_GB1_43 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 362 OG1_GB1_11 H_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 375 -OG1_GB1_11 CB_GB1_44 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 377 -OG1_GB1_11 CG2_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 379 +OG1_GB1_11 CB_GB1_44 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 377 +OG1_GB1_11 CG2_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 379 OG1_GB1_11 H_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 383 -OG1_GB1_11 CB_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 385 +OG1_GB1_11 CB_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 385 OG1_GB1_11 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 396 -OG1_GB1_11 CB_GB1_46 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 398 +OG1_GB1_11 CB_GB1_46 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 398 OG1_GB1_11 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 405 -OG1_GB1_11 CB_GB1_47 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 407 +OG1_GB1_11 CB_GB1_47 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 407 OG1_GB1_11 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 414 -OG1_GB1_11 CB_GB1_48 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 416 +OG1_GB1_11 CB_GB1_48 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 416 OG1_GB1_11 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 420 -OG1_GB1_11 CB_GB1_49 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 422 -OG1_GB1_11 CG2_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 424 +OG1_GB1_11 CB_GB1_49 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 422 +OG1_GB1_11 CG2_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 424 OG1_GB1_11 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 428 -OG1_GB1_11 CB_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 430 -OG1_GB1_11 CG_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 431 -OG1_GB1_11 CD_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 432 -OG1_GB1_11 CE_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 433 +OG1_GB1_11 CB_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 430 +OG1_GB1_11 CG_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 431 +OG1_GB1_11 CD_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 432 +OG1_GB1_11 CE_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 433 OG1_GB1_11 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 438 -OG1_GB1_11 CB_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 440 -OG1_GB1_11 CG2_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 442 +OG1_GB1_11 CB_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 440 +OG1_GB1_11 CG2_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 442 OG1_GB1_11 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 446 -OG1_GB1_11 CB_GB1_52 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 448 +OG1_GB1_11 CB_GB1_52 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 448 OG1_GB1_11 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 458 -OG1_GB1_11 CB_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 460 -OG1_GB1_11 CG2_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 462 +OG1_GB1_11 CB_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 460 +OG1_GB1_11 CG2_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 462 OG1_GB1_11 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 466 -OG1_GB1_11 CB_GB1_54 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 468 -OG1_GB1_11 CG1_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 469 -OG1_GB1_11 CG2_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 470 +OG1_GB1_11 CB_GB1_54 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 468 +OG1_GB1_11 CG1_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 469 +OG1_GB1_11 CG2_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 470 OG1_GB1_11 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 474 -OG1_GB1_11 CB_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 476 -OG1_GB1_11 CG2_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 478 +OG1_GB1_11 CB_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 476 +OG1_GB1_11 CG2_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 478 OG1_GB1_11 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 482 -OG1_GB1_11 CB_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 484 -OG1_GB1_11 CG_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 485 +OG1_GB1_11 CB_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 484 +OG1_GB1_11 CG_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 95 485 OG1_GB1_11 OE1_GB1_56 1 6.387424e-05 1.407098e-08 ; 2.457535e-01 7.248820e-02 4.612247e-03 9.999867e-05 0.004395 0.011584 True md_ensemble 7 95 487 OG1_GB1_11 OE2_GB1_56 1 6.387424e-05 1.407098e-08 ; 2.457535e-01 7.248820e-02 4.612247e-03 9.999867e-05 0.004395 0.011584 True md_ensemble 7 95 488 -CG2_GB1_11 C_GB1_11 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 97 +CG2_GB1_11 C_GB1_11 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 97 CG2_GB1_11 O_GB1_11 1 0.000000e+00 1.370401e-06 ; 2.892227e-01 -1.370401e-06 9.903907e-01 9.015665e-01 0.004395 0.001132 True md_ensemble 4 96 98 -CG2_GB1_11 N_GB1_12 1 0.000000e+00 2.646530e-06 ; 3.055283e-01 -2.646530e-06 9.917167e-01 9.565732e-01 0.004395 0.001132 True md_ensemble 4 96 99 -CG2_GB1_11 CA_GB1_12 1 0.000000e+00 2.149559e-05 ; 3.637956e-01 -2.149559e-05 7.111341e-01 6.166726e-01 0.004395 0.001132 True md_ensemble 5 96 101 -CG2_GB1_11 CB_GB1_12 1 0.000000e+00 8.614567e-06 ; 3.371044e-01 -8.614567e-06 3.970700e-01 1.448746e-01 0.004395 0.001132 True md_ensemble 6 96 102 +CG2_GB1_11 N_GB1_12 1 0.000000e+00 2.646505e-06 ; 3.055280e-01 -2.646505e-06 9.917167e-01 9.565732e-01 0.004395 0.001132 True md_ensemble 4 96 99 +CG2_GB1_11 CA_GB1_12 1 0.000000e+00 2.149558e-05 ; 3.637956e-01 -2.149558e-05 7.111341e-01 6.166726e-01 0.004395 0.001132 True md_ensemble 5 96 101 +CG2_GB1_11 CB_GB1_12 1 0.000000e+00 8.614462e-06 ; 3.371041e-01 -8.614462e-06 3.970700e-01 1.448746e-01 0.004395 0.001132 True md_ensemble 6 96 102 CG2_GB1_11 CG_GB1_12 1 2.061259e-03 7.781549e-06 ; 3.945986e-01 1.365020e-01 2.165250e-01 1.460449e-01 0.004395 0.010759 True md_ensemble 7 96 103 CG2_GB1_11 CD1_GB1_12 1 2.711022e-03 1.035459e-05 ; 3.953666e-01 1.774489e-01 6.706876e-02 3.938985e-02 0.004395 0.020717 True md_ensemble 7 96 104 CG2_GB1_11 CD2_GB1_12 1 1.886992e-03 4.763557e-06 ; 3.690004e-01 1.868739e-01 1.419481e-01 6.944709e-02 0.004395 0.020717 True md_ensemble 7 96 105 -CG2_GB1_11 C_GB1_12 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 106 +CG2_GB1_11 C_GB1_12 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 106 CG2_GB1_11 O_GB1_12 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 107 -CG2_GB1_11 N_GB1_13 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 108 -CG2_GB1_11 NZ_GB1_13 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 115 -CG2_GB1_11 C_GB1_13 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 116 +CG2_GB1_11 N_GB1_13 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 108 +CG2_GB1_11 NZ_GB1_13 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 115 +CG2_GB1_11 C_GB1_13 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 116 CG2_GB1_11 O_GB1_13 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 117 -CG2_GB1_11 N_GB1_14 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 118 -CG2_GB1_11 C_GB1_14 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 121 +CG2_GB1_11 N_GB1_14 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 118 +CG2_GB1_11 C_GB1_14 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 121 CG2_GB1_11 O_GB1_14 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 122 -CG2_GB1_11 N_GB1_15 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 123 -CG2_GB1_11 CD_GB1_15 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 128 +CG2_GB1_11 N_GB1_15 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 123 +CG2_GB1_11 CD_GB1_15 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 128 CG2_GB1_11 OE1_GB1_15 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 129 CG2_GB1_11 OE2_GB1_15 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 130 -CG2_GB1_11 C_GB1_15 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 131 +CG2_GB1_11 C_GB1_15 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 131 CG2_GB1_11 O_GB1_15 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 132 -CG2_GB1_11 N_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 133 -CG2_GB1_11 OG1_GB1_16 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 137 -CG2_GB1_11 C_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 139 +CG2_GB1_11 N_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 133 +CG2_GB1_11 OG1_GB1_16 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 137 +CG2_GB1_11 C_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 139 CG2_GB1_11 O_GB1_16 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 140 -CG2_GB1_11 N_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 141 -CG2_GB1_11 OG1_GB1_17 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 145 -CG2_GB1_11 C_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 147 +CG2_GB1_11 N_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 141 +CG2_GB1_11 OG1_GB1_17 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 145 +CG2_GB1_11 C_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 147 CG2_GB1_11 O_GB1_17 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 148 -CG2_GB1_11 N_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 149 -CG2_GB1_11 OG1_GB1_18 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 153 -CG2_GB1_11 C_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 155 +CG2_GB1_11 N_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 149 +CG2_GB1_11 OG1_GB1_18 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 153 +CG2_GB1_11 C_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 155 CG2_GB1_11 O_GB1_18 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 156 -CG2_GB1_11 N_GB1_19 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 157 -CG2_GB1_11 CD_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 162 +CG2_GB1_11 N_GB1_19 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 157 +CG2_GB1_11 CD_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 162 CG2_GB1_11 OE1_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 163 CG2_GB1_11 OE2_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 164 -CG2_GB1_11 C_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 165 +CG2_GB1_11 C_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 165 CG2_GB1_11 O_GB1_19 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 166 -CG2_GB1_11 N_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 167 -CG2_GB1_11 C_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 171 +CG2_GB1_11 N_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 167 +CG2_GB1_11 C_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 171 CG2_GB1_11 O_GB1_20 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 172 -CG2_GB1_11 N_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 173 -CG2_GB1_11 C_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 179 +CG2_GB1_11 N_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 173 +CG2_GB1_11 C_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 179 CG2_GB1_11 O_GB1_21 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 180 -CG2_GB1_11 N_GB1_22 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 181 -CG2_GB1_11 CG_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 185 +CG2_GB1_11 N_GB1_22 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 181 +CG2_GB1_11 CG_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 185 CG2_GB1_11 OD1_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 186 CG2_GB1_11 OD2_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 187 -CG2_GB1_11 C_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 188 +CG2_GB1_11 C_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 188 CG2_GB1_11 O_GB1_22 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 189 -CG2_GB1_11 N_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 190 -CG2_GB1_11 C_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 194 +CG2_GB1_11 N_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 190 +CG2_GB1_11 C_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 194 CG2_GB1_11 O_GB1_23 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 195 -CG2_GB1_11 N_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 196 -CG2_GB1_11 C_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 200 +CG2_GB1_11 N_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 196 +CG2_GB1_11 C_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 200 CG2_GB1_11 O_GB1_24 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 201 -CG2_GB1_11 N_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 202 -CG2_GB1_11 OG1_GB1_25 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 206 -CG2_GB1_11 C_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 208 +CG2_GB1_11 N_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 202 +CG2_GB1_11 OG1_GB1_25 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 206 +CG2_GB1_11 C_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 208 CG2_GB1_11 O_GB1_25 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 209 -CG2_GB1_11 N_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 210 -CG2_GB1_11 C_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 214 +CG2_GB1_11 N_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 210 +CG2_GB1_11 C_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 214 CG2_GB1_11 O_GB1_26 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 215 -CG2_GB1_11 N_GB1_27 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 216 -CG2_GB1_11 CD_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 221 +CG2_GB1_11 N_GB1_27 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 216 +CG2_GB1_11 CD_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 221 CG2_GB1_11 OE1_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 222 CG2_GB1_11 OE2_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 223 -CG2_GB1_11 C_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 224 +CG2_GB1_11 C_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 224 CG2_GB1_11 O_GB1_27 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 225 -CG2_GB1_11 N_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 226 -CG2_GB1_11 NZ_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 233 -CG2_GB1_11 C_GB1_28 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 234 +CG2_GB1_11 N_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 226 +CG2_GB1_11 NZ_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 233 +CG2_GB1_11 C_GB1_28 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 234 CG2_GB1_11 O_GB1_28 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 235 -CG2_GB1_11 N_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 236 -CG2_GB1_11 C_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 242 +CG2_GB1_11 N_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 236 +CG2_GB1_11 C_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 242 CG2_GB1_11 O_GB1_29 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 243 -CG2_GB1_11 N_GB1_30 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 244 -CG2_GB1_11 C_GB1_30 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 254 +CG2_GB1_11 N_GB1_30 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 244 +CG2_GB1_11 C_GB1_30 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 254 CG2_GB1_11 O_GB1_30 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 255 -CG2_GB1_11 N_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 256 -CG2_GB1_11 NZ_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 263 -CG2_GB1_11 C_GB1_31 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 264 +CG2_GB1_11 N_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 256 +CG2_GB1_11 NZ_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 263 +CG2_GB1_11 C_GB1_31 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 264 CG2_GB1_11 O_GB1_31 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 265 -CG2_GB1_11 N_GB1_32 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 266 -CG2_GB1_11 CD_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 271 +CG2_GB1_11 N_GB1_32 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 266 +CG2_GB1_11 CD_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 271 CG2_GB1_11 OE1_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 272 -CG2_GB1_11 NE2_GB1_32 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 273 -CG2_GB1_11 C_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 274 +CG2_GB1_11 NE2_GB1_32 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 273 +CG2_GB1_11 C_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 274 CG2_GB1_11 O_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 275 -CG2_GB1_11 N_GB1_33 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 276 -CG2_GB1_11 OH_GB1_33 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 286 -CG2_GB1_11 C_GB1_33 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 287 +CG2_GB1_11 N_GB1_33 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 276 +CG2_GB1_11 OH_GB1_33 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 286 +CG2_GB1_11 C_GB1_33 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 287 CG2_GB1_11 O_GB1_33 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 288 -CG2_GB1_11 N_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 289 -CG2_GB1_11 C_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 293 +CG2_GB1_11 N_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 289 +CG2_GB1_11 C_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 293 CG2_GB1_11 O_GB1_34 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 294 -CG2_GB1_11 N_GB1_35 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 295 -CG2_GB1_11 CG_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 299 +CG2_GB1_11 N_GB1_35 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 295 +CG2_GB1_11 CG_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 299 CG2_GB1_11 OD1_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 300 -CG2_GB1_11 ND2_GB1_35 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 301 -CG2_GB1_11 C_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 302 +CG2_GB1_11 ND2_GB1_35 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 301 +CG2_GB1_11 C_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 302 CG2_GB1_11 O_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 303 -CG2_GB1_11 N_GB1_36 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 304 -CG2_GB1_11 CG_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 308 +CG2_GB1_11 N_GB1_36 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 304 +CG2_GB1_11 CG_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 308 CG2_GB1_11 OD1_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 309 CG2_GB1_11 OD2_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 310 -CG2_GB1_11 C_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 311 +CG2_GB1_11 C_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 311 CG2_GB1_11 O_GB1_36 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 312 -CG2_GB1_11 N_GB1_37 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 313 +CG2_GB1_11 N_GB1_37 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 313 CG2_GB1_11 CA_GB1_37 1 9.521114e-03 1.147196e-04 ; 4.788046e-01 1.975504e-01 5.208142e-02 1.144449e-04 0.004395 0.010759 True md_ensemble 7 96 315 CG2_GB1_11 CB_GB1_37 1 2.341818e-03 1.195292e-05 ; 4.149414e-01 1.147024e-01 1.045371e-02 2.744767e-04 0.004395 0.012151 True md_ensemble 7 96 316 -CG2_GB1_11 CG_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 317 +CG2_GB1_11 CG_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 317 CG2_GB1_11 OD1_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 318 -CG2_GB1_11 ND2_GB1_37 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 319 +CG2_GB1_11 ND2_GB1_37 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 319 CG2_GB1_11 C_GB1_37 1 5.335603e-03 2.884871e-05 ; 4.189451e-01 2.467066e-01 1.350450e-01 9.060980e-05 0.004395 0.001132 True md_ensemble 7 96 320 CG2_GB1_11 O_GB1_37 1 1.065437e-03 1.057203e-06 ; 3.158191e-01 2.684336e-01 2.057673e-01 9.503699e-05 0.004395 0.007862 True md_ensemble 7 96 321 CG2_GB1_11 N_GB1_38 1 2.949734e-03 1.778653e-05 ; 4.266300e-01 1.222966e-01 1.211152e-02 0.000000e+00 0.004395 0.001132 True md_ensemble 7 96 322 @@ -16296,183 +16296,183 @@ CG2_GB1_11 O_GB1_38 1 1.270354e-03 1.631912e-06 ; 3.297074e-01 2.472253e- CG2_GB1_11 N_GB1_39 1 2.221771e-03 1.235658e-05 ; 4.209202e-01 9.987124e-02 7.841918e-03 0.000000e+00 0.004395 0.001132 True md_ensemble 7 96 327 CG2_GB1_11 CA_GB1_39 1 1.270242e-02 1.920289e-04 ; 4.972560e-01 2.100613e-01 6.637425e-02 2.051578e-04 0.004395 0.010759 True md_ensemble 7 96 329 CG2_GB1_11 CG2_GB1_39 1 1.734431e-03 4.641537e-06 ; 3.726068e-01 1.620289e-01 2.616157e-02 6.001855e-04 0.004395 0.020717 True md_ensemble 7 96 332 -CG2_GB1_11 C_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 333 +CG2_GB1_11 C_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 333 CG2_GB1_11 O_GB1_39 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 334 -CG2_GB1_11 N_GB1_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 335 -CG2_GB1_11 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 339 +CG2_GB1_11 N_GB1_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 335 +CG2_GB1_11 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 339 CG2_GB1_11 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 340 CG2_GB1_11 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 341 -CG2_GB1_11 C_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 342 +CG2_GB1_11 C_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 342 CG2_GB1_11 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 343 -CG2_GB1_11 N_GB1_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 344 -CG2_GB1_11 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 347 +CG2_GB1_11 N_GB1_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 344 +CG2_GB1_11 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 347 CG2_GB1_11 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 348 -CG2_GB1_11 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 349 -CG2_GB1_11 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 354 +CG2_GB1_11 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 349 +CG2_GB1_11 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 354 CG2_GB1_11 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 355 CG2_GB1_11 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 356 -CG2_GB1_11 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 357 +CG2_GB1_11 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 357 CG2_GB1_11 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 358 -CG2_GB1_11 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 359 -CG2_GB1_11 NE1_GB1_43 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 366 -CG2_GB1_11 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 372 +CG2_GB1_11 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 359 +CG2_GB1_11 NE1_GB1_43 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 366 +CG2_GB1_11 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 372 CG2_GB1_11 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 373 -CG2_GB1_11 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 374 -CG2_GB1_11 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 378 -CG2_GB1_11 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 380 +CG2_GB1_11 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 374 +CG2_GB1_11 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 378 +CG2_GB1_11 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 380 CG2_GB1_11 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 381 -CG2_GB1_11 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 382 -CG2_GB1_11 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 392 -CG2_GB1_11 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 393 +CG2_GB1_11 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 382 +CG2_GB1_11 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 392 +CG2_GB1_11 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 393 CG2_GB1_11 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 394 -CG2_GB1_11 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 395 -CG2_GB1_11 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 399 +CG2_GB1_11 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 395 +CG2_GB1_11 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 399 CG2_GB1_11 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 400 CG2_GB1_11 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 401 -CG2_GB1_11 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 402 +CG2_GB1_11 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 402 CG2_GB1_11 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 403 -CG2_GB1_11 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 404 -CG2_GB1_11 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 408 +CG2_GB1_11 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 404 +CG2_GB1_11 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 408 CG2_GB1_11 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 409 CG2_GB1_11 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 410 -CG2_GB1_11 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 411 +CG2_GB1_11 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 411 CG2_GB1_11 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 412 -CG2_GB1_11 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 413 -CG2_GB1_11 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 417 +CG2_GB1_11 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 413 +CG2_GB1_11 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 417 CG2_GB1_11 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 418 -CG2_GB1_11 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 419 -CG2_GB1_11 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 423 -CG2_GB1_11 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 425 +CG2_GB1_11 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 419 +CG2_GB1_11 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 423 +CG2_GB1_11 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 425 CG2_GB1_11 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 426 -CG2_GB1_11 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 427 -CG2_GB1_11 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 434 -CG2_GB1_11 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 435 +CG2_GB1_11 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 427 +CG2_GB1_11 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 434 +CG2_GB1_11 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 435 CG2_GB1_11 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 436 -CG2_GB1_11 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 437 -CG2_GB1_11 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 441 -CG2_GB1_11 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 443 +CG2_GB1_11 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 437 +CG2_GB1_11 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 441 +CG2_GB1_11 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 443 CG2_GB1_11 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 444 -CG2_GB1_11 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 445 -CG2_GB1_11 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 455 +CG2_GB1_11 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 445 +CG2_GB1_11 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 455 CG2_GB1_11 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 456 -CG2_GB1_11 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 457 -CG2_GB1_11 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 461 -CG2_GB1_11 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 463 +CG2_GB1_11 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 457 +CG2_GB1_11 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 461 +CG2_GB1_11 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 463 CG2_GB1_11 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 464 -CG2_GB1_11 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 465 -CG2_GB1_11 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 471 +CG2_GB1_11 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 465 +CG2_GB1_11 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 471 CG2_GB1_11 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 472 -CG2_GB1_11 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 473 -CG2_GB1_11 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 477 -CG2_GB1_11 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 479 +CG2_GB1_11 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 473 +CG2_GB1_11 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 477 +CG2_GB1_11 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 479 CG2_GB1_11 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 480 -CG2_GB1_11 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 481 -CG2_GB1_11 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 486 +CG2_GB1_11 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 481 +CG2_GB1_11 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 486 CG2_GB1_11 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 487 CG2_GB1_11 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 488 -CG2_GB1_11 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 489 +CG2_GB1_11 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 489 CG2_GB1_11 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 490 CG2_GB1_11 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 96 491 - C_GB1_11 CB_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 102 - C_GB1_11 CG_GB1_12 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 97 103 - C_GB1_11 CD1_GB1_12 1 0.000000e+00 4.185050e-06 ; 3.174218e-01 -4.185050e-06 4.693002e-01 3.548160e-01 0.004395 0.001132 True md_ensemble 5 97 104 - C_GB1_11 CD2_GB1_12 1 0.000000e+00 6.500685e-06 ; 3.292873e-01 -6.500685e-06 3.206447e-01 6.961262e-01 0.004395 0.001132 True md_ensemble 5 97 105 - C_GB1_11 O_GB1_12 1 0.000000e+00 7.752841e-07 ; 2.758143e-01 -7.752841e-07 9.844119e-01 9.219423e-01 0.004395 0.001132 True md_ensemble 4 97 107 - C_GB1_11 N_GB1_13 1 0.000000e+00 1.535558e-06 ; 2.919783e-01 -1.535558e-06 9.678165e-01 9.859904e-01 0.004395 0.001132 True md_ensemble 4 97 108 - C_GB1_11 CA_GB1_13 1 0.000000e+00 1.620970e-05 ; 3.553390e-01 -1.620970e-05 6.553876e-01 8.973327e-01 0.004395 0.001132 True md_ensemble 5 97 110 - C_GB1_11 CB_GB1_13 1 0.000000e+00 6.487359e-06 ; 3.292310e-01 -6.487359e-06 1.963320e-01 2.205503e-01 0.004395 0.001132 True md_ensemble 6 97 111 - C_GB1_11 CG_GB1_13 1 0.000000e+00 5.246949e-06 ; 3.234600e-01 -5.246949e-06 3.603227e-01 1.887062e-01 0.004395 0.001132 True md_ensemble 7 97 112 + C_GB1_11 CB_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 102 + C_GB1_11 CG_GB1_12 1 0.000000e+00 1.305180e-05 ; 3.489803e-01 -1.305180e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 97 103 + C_GB1_11 CD1_GB1_12 1 0.000000e+00 4.184995e-06 ; 3.174214e-01 -4.184995e-06 4.693002e-01 3.548160e-01 0.004395 0.001132 True md_ensemble 5 97 104 + C_GB1_11 CD2_GB1_12 1 0.000000e+00 6.500600e-06 ; 3.292869e-01 -6.500600e-06 3.206447e-01 6.961262e-01 0.004395 0.001132 True md_ensemble 5 97 105 + C_GB1_11 O_GB1_12 1 0.000000e+00 7.752805e-07 ; 2.758142e-01 -7.752805e-07 9.844119e-01 9.219423e-01 0.004395 0.001132 True md_ensemble 4 97 107 + C_GB1_11 N_GB1_13 1 0.000000e+00 1.535536e-06 ; 2.919779e-01 -1.535536e-06 9.678165e-01 9.859904e-01 0.004395 0.001132 True md_ensemble 4 97 108 + C_GB1_11 CA_GB1_13 1 0.000000e+00 1.620962e-05 ; 3.553389e-01 -1.620962e-05 6.553876e-01 8.973327e-01 0.004395 0.001132 True md_ensemble 5 97 110 + C_GB1_11 CB_GB1_13 1 0.000000e+00 6.487250e-06 ; 3.292305e-01 -6.487250e-06 1.963320e-01 2.205503e-01 0.004395 0.001132 True md_ensemble 6 97 111 + C_GB1_11 CG_GB1_13 1 0.000000e+00 5.246861e-06 ; 3.234595e-01 -5.246861e-06 3.603227e-01 1.887062e-01 0.004395 0.001132 True md_ensemble 7 97 112 C_GB1_11 CD_GB1_13 1 1.034672e-03 3.645830e-06 ; 3.900907e-01 7.340900e-02 1.534924e-01 3.699404e-02 0.004395 0.001132 True md_ensemble 7 97 113 C_GB1_11 CE_GB1_13 1 1.095624e-03 3.811037e-06 ; 3.892515e-01 7.874446e-02 1.336064e-01 2.903744e-02 0.004395 0.001132 True md_ensemble 7 97 114 C_GB1_11 NZ_GB1_13 1 1.288469e-03 2.800416e-06 ; 3.599079e-01 1.482059e-01 2.902087e-02 1.679817e-02 0.004395 0.011584 True md_ensemble 7 97 115 C_GB1_11 C_GB1_13 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 0.000000e+00 1.643793e-01 0.004395 0.001132 True md_ensemble 6 97 116 - C_GB1_11 CA_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 120 - C_GB1_11 CB_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 126 - C_GB1_11 CG_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 127 - C_GB1_11 CB_GB1_16 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 136 - C_GB1_11 CG2_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 138 - C_GB1_11 CB_GB1_17 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 144 - C_GB1_11 CG2_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 146 - C_GB1_11 CB_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 152 - C_GB1_11 CG2_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 154 - C_GB1_11 CB_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 160 - C_GB1_11 CG_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 161 - C_GB1_11 CB_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 170 - C_GB1_11 CB_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 176 - C_GB1_11 CG1_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 177 - C_GB1_11 CG2_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 178 - C_GB1_11 CB_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 184 - C_GB1_11 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 193 - C_GB1_11 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 199 - C_GB1_11 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 205 - C_GB1_11 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 207 - C_GB1_11 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 213 - C_GB1_11 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 219 - C_GB1_11 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 220 - C_GB1_11 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 229 - C_GB1_11 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 230 - C_GB1_11 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 231 - C_GB1_11 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 232 - C_GB1_11 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 239 - C_GB1_11 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 240 - C_GB1_11 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 241 - C_GB1_11 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 247 - C_GB1_11 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 259 - C_GB1_11 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 260 - C_GB1_11 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 261 - C_GB1_11 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 262 - C_GB1_11 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 269 - C_GB1_11 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 270 - C_GB1_11 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 279 - C_GB1_11 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 292 - C_GB1_11 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 298 - C_GB1_11 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 307 + C_GB1_11 CA_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 120 + C_GB1_11 CB_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 126 + C_GB1_11 CG_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 127 + C_GB1_11 CB_GB1_16 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 136 + C_GB1_11 CG2_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 138 + C_GB1_11 CB_GB1_17 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 144 + C_GB1_11 CG2_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 146 + C_GB1_11 CB_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 152 + C_GB1_11 CG2_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 154 + C_GB1_11 CB_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 160 + C_GB1_11 CG_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 161 + C_GB1_11 CB_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 170 + C_GB1_11 CB_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 176 + C_GB1_11 CG1_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 177 + C_GB1_11 CG2_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 178 + C_GB1_11 CB_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 184 + C_GB1_11 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 193 + C_GB1_11 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 199 + C_GB1_11 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 205 + C_GB1_11 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 207 + C_GB1_11 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 213 + C_GB1_11 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 219 + C_GB1_11 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 220 + C_GB1_11 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 229 + C_GB1_11 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 230 + C_GB1_11 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 231 + C_GB1_11 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 232 + C_GB1_11 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 239 + C_GB1_11 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 240 + C_GB1_11 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 241 + C_GB1_11 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 247 + C_GB1_11 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 259 + C_GB1_11 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 260 + C_GB1_11 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 261 + C_GB1_11 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 262 + C_GB1_11 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 269 + C_GB1_11 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 270 + C_GB1_11 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 279 + C_GB1_11 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 292 + C_GB1_11 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 298 + C_GB1_11 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 307 C_GB1_11 CB_GB1_37 1 2.714250e-03 1.669598e-05 ; 4.280492e-01 1.103132e-01 9.601137e-03 0.000000e+00 0.004395 0.001132 True md_ensemble 7 97 316 C_GB1_11 O_GB1_37 1 1.890282e-03 5.155163e-06 ; 3.737828e-01 1.732809e-01 3.253743e-02 0.000000e+00 0.004395 0.011584 True md_ensemble 7 97 321 - C_GB1_11 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 324 - C_GB1_11 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 330 - C_GB1_11 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 331 + C_GB1_11 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 324 + C_GB1_11 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 330 + C_GB1_11 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 331 C_GB1_11 CG2_GB1_39 1 5.379204e-03 3.569198e-05 ; 4.334864e-01 2.026774e-01 5.752307e-02 1.000622e-04 0.004395 0.001132 True md_ensemble 7 97 332 - C_GB1_11 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 338 - C_GB1_11 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 346 - C_GB1_11 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 352 - C_GB1_11 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 353 - C_GB1_11 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 362 - C_GB1_11 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 377 - C_GB1_11 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 379 - C_GB1_11 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 385 - C_GB1_11 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 398 - C_GB1_11 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 407 - C_GB1_11 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 416 - C_GB1_11 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 422 - C_GB1_11 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 424 - C_GB1_11 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 430 - C_GB1_11 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 431 - C_GB1_11 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 432 - C_GB1_11 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 433 - C_GB1_11 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 440 - C_GB1_11 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 442 - C_GB1_11 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 448 - C_GB1_11 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 460 - C_GB1_11 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 462 - C_GB1_11 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 468 - C_GB1_11 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 469 - C_GB1_11 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 470 - C_GB1_11 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 476 - C_GB1_11 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 478 - C_GB1_11 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 484 - C_GB1_11 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 485 + C_GB1_11 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 338 + C_GB1_11 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 346 + C_GB1_11 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 352 + C_GB1_11 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 353 + C_GB1_11 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 362 + C_GB1_11 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 377 + C_GB1_11 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 379 + C_GB1_11 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 385 + C_GB1_11 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 398 + C_GB1_11 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 407 + C_GB1_11 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 416 + C_GB1_11 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 422 + C_GB1_11 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 424 + C_GB1_11 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 430 + C_GB1_11 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 431 + C_GB1_11 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 432 + C_GB1_11 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 433 + C_GB1_11 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 440 + C_GB1_11 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 442 + C_GB1_11 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 448 + C_GB1_11 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 460 + C_GB1_11 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 462 + C_GB1_11 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 468 + C_GB1_11 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 469 + C_GB1_11 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 470 + C_GB1_11 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 476 + C_GB1_11 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 478 + C_GB1_11 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 484 + C_GB1_11 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 97 485 O_GB1_11 O_GB1_11 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 98 O_GB1_11 H_GB1_12 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 100 - O_GB1_11 CB_GB1_12 1 0.000000e+00 2.015584e-06 ; 2.986724e-01 -2.015584e-06 9.999938e-01 9.999579e-01 0.004395 0.001132 True md_ensemble 4 98 102 - O_GB1_11 CG_GB1_12 1 0.000000e+00 4.565213e-06 ; 3.197300e-01 -4.565213e-06 7.685538e-01 8.676795e-01 0.004395 0.001132 True md_ensemble 5 98 103 + O_GB1_11 CB_GB1_12 1 0.000000e+00 2.015576e-06 ; 2.986723e-01 -2.015576e-06 9.999938e-01 9.999579e-01 0.004395 0.001132 True md_ensemble 4 98 102 + O_GB1_11 CG_GB1_12 1 0.000000e+00 4.565249e-06 ; 3.197302e-01 -4.565249e-06 7.685538e-01 8.676795e-01 0.004395 0.001132 True md_ensemble 5 98 103 O_GB1_11 CD1_GB1_12 1 0.000000e+00 1.314016e-06 ; 2.882118e-01 -1.314016e-06 2.574287e-01 1.311144e-01 0.004395 0.001132 True md_ensemble 6 98 104 O_GB1_11 CD2_GB1_12 1 0.000000e+00 1.716792e-06 ; 2.947054e-01 -1.716792e-06 2.062329e-01 3.477233e-01 0.004395 0.001132 True md_ensemble 6 98 105 - O_GB1_11 C_GB1_12 1 0.000000e+00 8.251362e-07 ; 2.772504e-01 -8.251362e-07 9.993731e-01 9.971884e-01 0.004395 0.001132 True md_ensemble 4 98 106 + O_GB1_11 C_GB1_12 1 0.000000e+00 8.251324e-07 ; 2.772503e-01 -8.251324e-07 9.993731e-01 9.971884e-01 0.004395 0.001132 True md_ensemble 4 98 106 O_GB1_11 O_GB1_12 1 0.000000e+00 1.968744e-06 ; 2.980877e-01 -1.968744e-06 5.867884e-01 8.992842e-01 0.004395 0.001132 True md_ensemble 5 98 107 O_GB1_11 N_GB1_13 1 0.000000e+00 1.692281e-06 ; 2.943525e-01 -1.692281e-06 8.069151e-01 9.351025e-01 0.004395 0.001132 True md_ensemble 5 98 108 - O_GB1_11 H_GB1_13 1 0.000000e+00 1.465358e-08 ; 1.981483e-01 -1.465358e-08 2.193378e-01 1.637433e-01 0.004395 0.001132 True md_ensemble 6 98 109 - O_GB1_11 CA_GB1_13 1 0.000000e+00 4.953523e-06 ; 3.219125e-01 -4.953523e-06 4.282860e-01 6.209017e-01 0.004395 0.001132 True md_ensemble 6 98 110 + O_GB1_11 H_GB1_13 1 0.000000e+00 1.465382e-08 ; 1.981485e-01 -1.465382e-08 2.193378e-01 1.637433e-01 0.004395 0.001132 True md_ensemble 6 98 109 + O_GB1_11 CA_GB1_13 1 0.000000e+00 4.953562e-06 ; 3.219127e-01 -4.953562e-06 4.282860e-01 6.209017e-01 0.004395 0.001132 True md_ensemble 6 98 110 O_GB1_11 CB_GB1_13 1 1.632217e-03 5.229794e-06 ; 3.839586e-01 1.273536e-01 2.321842e-01 1.366377e-01 0.004395 0.007862 True md_ensemble 7 98 111 O_GB1_11 CG_GB1_13 1 7.263639e-04 1.073964e-06 ; 3.375250e-01 1.228170e-01 2.928218e-01 1.881612e-01 0.004395 0.007862 True md_ensemble 7 98 112 O_GB1_11 CD_GB1_13 1 6.508468e-04 7.662627e-07 ; 3.249500e-01 1.382037e-01 1.369465e-01 6.530594e-02 0.004395 0.007862 True md_ensemble 7 98 113 @@ -16664,142 +16664,142 @@ CG2_GB1_11 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- O_GB1_11 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 488 O_GB1_11 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 490 O_GB1_11 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 98 491 - N_GB1_12 CB_GB1_12 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 102 - N_GB1_12 CG_GB1_12 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 103 - N_GB1_12 CD1_GB1_12 1 0.000000e+00 2.772046e-06 ; 3.067103e-01 -2.772046e-06 9.865465e-01 9.971627e-01 0.004395 0.001132 True md_ensemble 4 99 104 - N_GB1_12 CD2_GB1_12 1 0.000000e+00 3.192939e-06 ; 3.103446e-01 -3.192939e-06 7.559679e-01 9.200311e-01 0.004395 0.001132 True md_ensemble 4 99 105 - N_GB1_12 CA_GB1_13 1 0.000000e+00 7.574040e-06 ; 3.335075e-01 -7.574040e-06 1.000000e+00 9.998739e-01 0.004395 0.001132 True md_ensemble 4 99 110 - N_GB1_12 CB_GB1_13 1 0.000000e+00 4.391566e-06 ; 3.186984e-01 -4.391566e-06 9.676150e-02 2.913938e-01 0.004395 0.001132 True md_ensemble 5 99 111 - N_GB1_12 CG_GB1_13 1 0.000000e+00 3.040768e-06 ; 3.090843e-01 -3.040768e-06 3.370636e-01 1.642401e-01 0.004395 0.001132 True md_ensemble 6 99 112 + N_GB1_12 CB_GB1_12 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 102 + N_GB1_12 CG_GB1_12 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 103 + N_GB1_12 CD1_GB1_12 1 0.000000e+00 2.772019e-06 ; 3.067101e-01 -2.772019e-06 9.865465e-01 9.971627e-01 0.004395 0.001132 True md_ensemble 4 99 104 + N_GB1_12 CD2_GB1_12 1 0.000000e+00 3.192909e-06 ; 3.103444e-01 -3.192909e-06 7.559679e-01 9.200311e-01 0.004395 0.001132 True md_ensemble 4 99 105 + N_GB1_12 CA_GB1_13 1 0.000000e+00 7.574028e-06 ; 3.335075e-01 -7.574028e-06 1.000000e+00 9.998739e-01 0.004395 0.001132 True md_ensemble 4 99 110 + N_GB1_12 CB_GB1_13 1 0.000000e+00 4.391508e-06 ; 3.186981e-01 -4.391508e-06 9.676150e-02 2.913938e-01 0.004395 0.001132 True md_ensemble 5 99 111 + N_GB1_12 CG_GB1_13 1 0.000000e+00 3.040728e-06 ; 3.090840e-01 -3.040728e-06 3.370636e-01 1.642401e-01 0.004395 0.001132 True md_ensemble 6 99 112 N_GB1_12 CD_GB1_13 1 2.010051e-03 8.787579e-06 ; 4.043682e-01 1.149436e-01 6.243354e-02 6.727063e-03 0.004395 0.001132 True md_ensemble 7 99 113 N_GB1_12 CE_GB1_13 1 2.179618e-03 1.070944e-05 ; 4.123168e-01 1.109006e-01 2.907421e-02 3.388045e-03 0.004395 0.001132 True md_ensemble 7 99 114 N_GB1_12 NZ_GB1_13 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.609000e-03 1.389083e-03 0.004395 0.001132 True md_ensemble 7 99 115 N_GB1_12 C_GB1_13 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 0.000000e+00 8.374684e-02 0.004395 0.001132 True md_ensemble 5 99 116 N_GB1_12 O_GB1_13 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 0.000000e+00 7.751546e-02 0.004395 0.001132 True md_ensemble 6 99 117 N_GB1_12 N_GB1_14 1 0.000000e+00 8.752940e-07 ; 2.786171e-01 -8.752940e-07 0.000000e+00 1.300515e-01 0.004395 0.001132 True md_ensemble 6 99 118 - N_GB1_12 CA_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 120 + N_GB1_12 CA_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 120 N_GB1_12 N_GB1_15 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 5.756923e-04 0.004395 0.001132 True md_ensemble 7 99 123 - N_GB1_12 CB_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 126 - N_GB1_12 CG_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 127 + N_GB1_12 CB_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 126 + N_GB1_12 CG_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 127 N_GB1_12 N_GB1_16 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 99 133 - N_GB1_12 CB_GB1_16 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 136 - N_GB1_12 CG2_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 138 + N_GB1_12 CB_GB1_16 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 136 + N_GB1_12 CG2_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 138 N_GB1_12 N_GB1_17 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 99 141 - N_GB1_12 CB_GB1_17 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 144 - N_GB1_12 CG2_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 146 + N_GB1_12 CB_GB1_17 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 144 + N_GB1_12 CG2_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 146 N_GB1_12 N_GB1_18 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 99 149 - N_GB1_12 CB_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 152 - N_GB1_12 CG2_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 154 + N_GB1_12 CB_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 152 + N_GB1_12 CG2_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 154 N_GB1_12 N_GB1_19 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 99 157 - N_GB1_12 CB_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 160 - N_GB1_12 CG_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 161 + N_GB1_12 CB_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 160 + N_GB1_12 CG_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 161 N_GB1_12 N_GB1_20 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 99 167 - N_GB1_12 CB_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 170 + N_GB1_12 CB_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 170 N_GB1_12 N_GB1_21 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 99 173 - N_GB1_12 CB_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 176 - N_GB1_12 CG1_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 177 - N_GB1_12 CG2_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 178 + N_GB1_12 CB_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 176 + N_GB1_12 CG1_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 177 + N_GB1_12 CG2_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 178 N_GB1_12 N_GB1_22 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 99 181 - N_GB1_12 CB_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 184 + N_GB1_12 CB_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 184 N_GB1_12 N_GB1_23 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 99 190 - N_GB1_12 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 193 + N_GB1_12 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 193 N_GB1_12 N_GB1_24 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 99 196 - N_GB1_12 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 199 + N_GB1_12 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 199 N_GB1_12 N_GB1_25 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 99 202 - N_GB1_12 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 205 - N_GB1_12 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 207 + N_GB1_12 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 205 + N_GB1_12 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 207 N_GB1_12 N_GB1_26 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 99 210 - N_GB1_12 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 213 + N_GB1_12 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 213 N_GB1_12 N_GB1_27 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 99 216 - N_GB1_12 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 219 - N_GB1_12 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 220 + N_GB1_12 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 219 + N_GB1_12 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 220 N_GB1_12 N_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 99 226 - N_GB1_12 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 229 - N_GB1_12 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 230 - N_GB1_12 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 231 - N_GB1_12 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 232 + N_GB1_12 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 229 + N_GB1_12 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 230 + N_GB1_12 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 231 + N_GB1_12 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 232 N_GB1_12 NZ_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 7.255650e-05 0.004395 0.001132 True md_ensemble 7 99 233 N_GB1_12 N_GB1_29 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 99 236 - N_GB1_12 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 239 - N_GB1_12 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 240 - N_GB1_12 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 241 + N_GB1_12 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 239 + N_GB1_12 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 240 + N_GB1_12 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 241 N_GB1_12 N_GB1_30 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 99 244 - N_GB1_12 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 247 + N_GB1_12 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 247 N_GB1_12 N_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 99 256 - N_GB1_12 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 259 - N_GB1_12 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 260 - N_GB1_12 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 261 - N_GB1_12 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 262 + N_GB1_12 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 259 + N_GB1_12 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 260 + N_GB1_12 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 261 + N_GB1_12 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 262 N_GB1_12 NZ_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 99 263 N_GB1_12 N_GB1_32 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 99 266 - N_GB1_12 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 269 - N_GB1_12 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 270 + N_GB1_12 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 269 + N_GB1_12 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 270 N_GB1_12 N_GB1_33 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 99 276 - N_GB1_12 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 279 + N_GB1_12 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 279 N_GB1_12 N_GB1_34 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 99 289 - N_GB1_12 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 292 + N_GB1_12 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 292 N_GB1_12 N_GB1_35 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 99 295 - N_GB1_12 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 298 + N_GB1_12 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 298 N_GB1_12 N_GB1_36 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 99 304 - N_GB1_12 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 307 + N_GB1_12 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 307 N_GB1_12 N_GB1_37 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 99 313 N_GB1_12 CB_GB1_37 1 2.644916e-03 1.744049e-05 ; 4.330365e-01 1.002778e-01 7.903967e-03 0.000000e+00 0.004395 0.001132 True md_ensemble 7 99 316 N_GB1_12 O_GB1_37 1 2.265748e-03 6.383908e-06 ; 3.758194e-01 2.010372e-01 5.572306e-02 0.000000e+00 0.004395 0.011584 True md_ensemble 7 99 321 N_GB1_12 N_GB1_38 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 99 322 - N_GB1_12 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 324 + N_GB1_12 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 324 N_GB1_12 N_GB1_39 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 99 327 N_GB1_12 CB_GB1_39 1 4.297172e-03 4.521955e-05 ; 4.681201e-01 1.020891e-01 8.186380e-03 3.984879e-05 0.004395 0.001132 True md_ensemble 7 99 330 - N_GB1_12 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 331 + N_GB1_12 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 331 N_GB1_12 CG2_GB1_39 1 2.950651e-03 8.294654e-06 ; 3.756760e-01 2.624083e-01 1.830859e-01 2.838176e-05 0.004395 0.001132 True md_ensemble 7 99 332 N_GB1_12 N_GB1_40 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 99 335 - N_GB1_12 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 338 + N_GB1_12 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 338 N_GB1_12 N_GB1_41 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 99 344 - N_GB1_12 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 346 + N_GB1_12 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 346 N_GB1_12 N_GB1_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 99 349 - N_GB1_12 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 352 - N_GB1_12 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 353 + N_GB1_12 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 352 + N_GB1_12 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 353 N_GB1_12 N_GB1_43 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 99 359 - N_GB1_12 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 362 + N_GB1_12 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 362 N_GB1_12 N_GB1_44 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 99 374 - N_GB1_12 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 377 - N_GB1_12 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 379 + N_GB1_12 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 377 + N_GB1_12 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 379 N_GB1_12 N_GB1_45 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 99 382 - N_GB1_12 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 385 + N_GB1_12 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 385 N_GB1_12 N_GB1_46 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 99 395 - N_GB1_12 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 398 + N_GB1_12 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 398 N_GB1_12 N_GB1_47 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 99 404 - N_GB1_12 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 407 + N_GB1_12 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 407 N_GB1_12 N_GB1_48 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 99 413 - N_GB1_12 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 416 + N_GB1_12 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 416 N_GB1_12 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 99 419 - N_GB1_12 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 422 - N_GB1_12 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 424 + N_GB1_12 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 422 + N_GB1_12 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 424 N_GB1_12 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 99 427 - N_GB1_12 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 430 - N_GB1_12 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 431 - N_GB1_12 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 432 - N_GB1_12 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 433 + N_GB1_12 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 430 + N_GB1_12 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 431 + N_GB1_12 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 432 + N_GB1_12 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 433 N_GB1_12 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 4.602352e-06 0.004395 0.001132 True md_ensemble 7 99 434 N_GB1_12 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 99 437 - N_GB1_12 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 440 - N_GB1_12 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 442 + N_GB1_12 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 440 + N_GB1_12 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 442 N_GB1_12 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 99 445 - N_GB1_12 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 448 + N_GB1_12 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 448 N_GB1_12 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 99 457 - N_GB1_12 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 460 - N_GB1_12 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 462 + N_GB1_12 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 460 + N_GB1_12 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 462 N_GB1_12 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 99 465 - N_GB1_12 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 468 - N_GB1_12 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 469 - N_GB1_12 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 470 + N_GB1_12 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 468 + N_GB1_12 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 469 + N_GB1_12 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 470 N_GB1_12 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 99 473 - N_GB1_12 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 476 - N_GB1_12 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 478 + N_GB1_12 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 476 + N_GB1_12 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 478 N_GB1_12 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 99 481 - N_GB1_12 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 484 - N_GB1_12 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 485 + N_GB1_12 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 484 + N_GB1_12 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 99 485 H_GB1_12 H_GB1_12 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 100 - H_GB1_12 O_GB1_12 1 0.000000e+00 9.122613e-09 ; 1.904751e-01 -9.122613e-09 7.599402e-01 3.478814e-01 0.004395 0.001132 True md_ensemble 4 100 107 + H_GB1_12 O_GB1_12 1 0.000000e+00 9.122757e-09 ; 1.904754e-01 -9.122757e-09 7.599402e-01 3.478814e-01 0.004395 0.001132 True md_ensemble 4 100 107 H_GB1_12 H_GB1_13 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 109 H_GB1_12 O_GB1_13 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 117 H_GB1_12 H_GB1_14 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 119 @@ -16923,15 +16923,15 @@ CG2_GB1_11 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- H_GB1_12 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 488 H_GB1_12 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 490 H_GB1_12 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 100 491 - CA_GB1_12 CB_GB1_13 1 0.000000e+00 3.181369e-05 ; 3.758774e-01 -3.181369e-05 9.999989e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 101 111 - CA_GB1_12 CG_GB1_13 1 0.000000e+00 3.398568e-05 ; 3.779517e-01 -3.398568e-05 8.052018e-01 8.734753e-01 0.004395 0.001132 True md_ensemble 5 101 112 - CA_GB1_12 CD_GB1_13 1 0.000000e+00 2.893817e-05 ; 3.729216e-01 -2.893817e-05 4.020104e-01 3.116252e-01 0.004395 0.001132 True md_ensemble 6 101 113 + CA_GB1_12 CB_GB1_13 1 0.000000e+00 3.181355e-05 ; 3.758772e-01 -3.181355e-05 9.999989e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 101 111 + CA_GB1_12 CG_GB1_13 1 0.000000e+00 3.398554e-05 ; 3.779516e-01 -3.398554e-05 8.052018e-01 8.734753e-01 0.004395 0.001132 True md_ensemble 5 101 112 + CA_GB1_12 CD_GB1_13 1 0.000000e+00 2.893805e-05 ; 3.729215e-01 -2.893805e-05 4.020104e-01 3.116252e-01 0.004395 0.001132 True md_ensemble 6 101 113 CA_GB1_12 CE_GB1_13 1 6.386767e-03 8.843733e-05 ; 4.900335e-01 1.153099e-01 1.327176e-01 8.929203e-02 0.004395 0.007117 True md_ensemble 7 101 114 - CA_GB1_12 NZ_GB1_13 1 0.000000e+00 7.721117e-06 ; 3.340425e-01 -7.721117e-06 1.264116e-02 3.193118e-02 0.004395 0.008482 True md_ensemble 7 101 115 - CA_GB1_12 C_GB1_13 1 0.000000e+00 1.305196e-05 ; 3.489806e-01 -1.305196e-05 9.999919e-01 9.999995e-01 0.004395 0.001132 True md_ensemble 4 101 116 - CA_GB1_12 O_GB1_13 1 0.000000e+00 1.988715e-06 ; 2.983386e-01 -1.988715e-06 8.097904e-01 2.885957e-01 0.004395 0.001132 True md_ensemble 5 101 117 - CA_GB1_12 N_GB1_14 1 0.000000e+00 1.003759e-05 ; 3.414267e-01 -1.003759e-05 4.397226e-01 7.648181e-01 0.004395 0.001132 True md_ensemble 5 101 118 - CA_GB1_12 CA_GB1_14 1 0.000000e+00 4.459788e-05 ; 3.866083e-01 -4.459788e-05 2.116156e-01 6.134627e-01 0.004395 0.001132 True md_ensemble 6 101 120 + CA_GB1_12 NZ_GB1_13 1 0.000000e+00 7.721105e-06 ; 3.340424e-01 -7.721105e-06 1.264116e-02 3.193118e-02 0.004395 0.008482 True md_ensemble 7 101 115 + CA_GB1_12 C_GB1_13 1 0.000000e+00 1.305190e-05 ; 3.489805e-01 -1.305190e-05 9.999919e-01 9.999995e-01 0.004395 0.001132 True md_ensemble 4 101 116 + CA_GB1_12 O_GB1_13 1 0.000000e+00 1.988731e-06 ; 2.983388e-01 -1.988731e-06 8.097904e-01 2.885957e-01 0.004395 0.001132 True md_ensemble 5 101 117 + CA_GB1_12 N_GB1_14 1 0.000000e+00 1.003758e-05 ; 3.414266e-01 -1.003758e-05 4.397226e-01 7.648181e-01 0.004395 0.001132 True md_ensemble 5 101 118 + CA_GB1_12 CA_GB1_14 1 0.000000e+00 4.459769e-05 ; 3.866082e-01 -4.459769e-05 2.116156e-01 6.134627e-01 0.004395 0.001132 True md_ensemble 6 101 120 CA_GB1_12 CA_GB1_37 1 2.247895e-02 5.840005e-04 ; 5.442180e-01 2.163111e-01 7.492215e-02 8.743843e-05 0.004395 0.006476 True md_ensemble 7 101 315 CA_GB1_12 CB_GB1_37 1 1.680290e-02 2.503943e-04 ; 4.960667e-01 2.818928e-01 2.671009e-01 1.953932e-04 0.004395 0.007117 True md_ensemble 7 101 316 CA_GB1_12 CG_GB1_37 1 8.426829e-03 9.649473e-05 ; 4.747590e-01 1.839775e-01 4.003380e-02 1.034771e-04 0.004395 0.008482 True md_ensemble 7 101 317 @@ -16943,114 +16943,114 @@ CG2_GB1_11 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- CA_GB1_12 CB_GB1_39 1 2.957839e-02 8.202609e-04 ; 5.501692e-01 2.666473e-01 1.987645e-01 6.728900e-04 0.004395 0.006476 True md_ensemble 7 101 330 CA_GB1_12 CG1_GB1_39 1 6.471776e-03 7.082163e-05 ; 4.711839e-01 1.478499e-01 1.987493e-02 4.975599e-04 0.004395 0.010759 True md_ensemble 7 101 331 CA_GB1_12 CG2_GB1_39 1 9.861278e-03 7.442122e-05 ; 4.428880e-01 3.266702e-01 6.362248e-01 4.010014e-04 0.004395 0.010759 True md_ensemble 7 101 332 - CB_GB1_12 C_GB1_12 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 106 + CB_GB1_12 C_GB1_12 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 106 CB_GB1_12 O_GB1_12 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 107 - CB_GB1_12 N_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 108 - CB_GB1_12 CA_GB1_13 1 0.000000e+00 3.181372e-05 ; 3.758774e-01 -3.181372e-05 9.999979e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 102 110 - CB_GB1_12 CB_GB1_13 1 0.000000e+00 2.253440e-05 ; 3.652292e-01 -2.253440e-05 1.784855e-01 6.380714e-01 0.004395 0.001132 True md_ensemble 5 102 111 - CB_GB1_12 CG_GB1_13 1 0.000000e+00 2.004168e-05 ; 3.616786e-01 -2.004168e-05 2.666110e-02 3.247896e-01 0.004395 0.001132 True md_ensemble 6 102 112 - CB_GB1_12 NZ_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 115 - CB_GB1_12 C_GB1_13 1 0.000000e+00 4.666669e-06 ; 3.203162e-01 -4.666669e-06 7.096224e-01 4.463919e-01 0.004395 0.001132 True md_ensemble 5 102 116 - CB_GB1_12 O_GB1_13 1 0.000000e+00 1.923098e-06 ; 2.975056e-01 -1.923098e-06 1.266565e-01 8.073709e-02 0.004395 0.001132 True md_ensemble 6 102 117 - CB_GB1_12 N_GB1_14 1 0.000000e+00 4.399356e-06 ; 3.187455e-01 -4.399356e-06 1.336544e-01 3.304058e-01 0.004395 0.001132 True md_ensemble 6 102 118 - CB_GB1_12 CA_GB1_14 1 0.000000e+00 1.802539e-05 ; 3.584969e-01 -1.802539e-05 9.610030e-02 2.636308e-01 0.004395 0.007860 True md_ensemble 7 102 120 - CB_GB1_12 C_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 121 + CB_GB1_12 N_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 108 + CB_GB1_12 CA_GB1_13 1 0.000000e+00 3.181358e-05 ; 3.758773e-01 -3.181358e-05 9.999979e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 102 110 + CB_GB1_12 CB_GB1_13 1 0.000000e+00 2.253404e-05 ; 3.652287e-01 -2.253404e-05 1.784855e-01 6.380714e-01 0.004395 0.001132 True md_ensemble 5 102 111 + CB_GB1_12 CG_GB1_13 1 0.000000e+00 2.004136e-05 ; 3.616781e-01 -2.004136e-05 2.666110e-02 3.247896e-01 0.004395 0.001132 True md_ensemble 6 102 112 + CB_GB1_12 NZ_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 115 + CB_GB1_12 C_GB1_13 1 0.000000e+00 4.666591e-06 ; 3.203158e-01 -4.666591e-06 7.096224e-01 4.463919e-01 0.004395 0.001132 True md_ensemble 5 102 116 + CB_GB1_12 O_GB1_13 1 0.000000e+00 1.923091e-06 ; 2.975055e-01 -1.923091e-06 1.266565e-01 8.073709e-02 0.004395 0.001132 True md_ensemble 6 102 117 + CB_GB1_12 N_GB1_14 1 0.000000e+00 4.399298e-06 ; 3.187452e-01 -4.399298e-06 1.336544e-01 3.304058e-01 0.004395 0.001132 True md_ensemble 6 102 118 + CB_GB1_12 CA_GB1_14 1 0.000000e+00 1.802510e-05 ; 3.584964e-01 -1.802510e-05 9.610030e-02 2.636308e-01 0.004395 0.007860 True md_ensemble 7 102 120 + CB_GB1_12 C_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 121 CB_GB1_12 O_GB1_14 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.006157e-02 0.004395 0.007862 True md_ensemble 7 102 122 - CB_GB1_12 N_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 123 - CB_GB1_12 CD_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 128 - CB_GB1_12 OE1_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 129 - CB_GB1_12 OE2_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 130 - CB_GB1_12 C_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 131 + CB_GB1_12 N_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 123 + CB_GB1_12 CD_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 128 + CB_GB1_12 OE1_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 129 + CB_GB1_12 OE2_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 130 + CB_GB1_12 C_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 131 CB_GB1_12 O_GB1_15 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.480512e-02 0.004395 0.007862 True md_ensemble 7 102 132 - CB_GB1_12 N_GB1_16 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 133 - CB_GB1_12 OG1_GB1_16 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 137 - CB_GB1_12 C_GB1_16 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 139 + CB_GB1_12 N_GB1_16 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 133 + CB_GB1_12 OG1_GB1_16 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 137 + CB_GB1_12 C_GB1_16 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 139 CB_GB1_12 O_GB1_16 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.613764e-03 0.004395 0.007862 True md_ensemble 7 102 140 - CB_GB1_12 N_GB1_17 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 141 - CB_GB1_12 OG1_GB1_17 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 145 - CB_GB1_12 C_GB1_17 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 147 + CB_GB1_12 N_GB1_17 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 141 + CB_GB1_12 OG1_GB1_17 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 145 + CB_GB1_12 C_GB1_17 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 147 CB_GB1_12 O_GB1_17 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.271222e-03 0.004395 0.007862 True md_ensemble 7 102 148 - CB_GB1_12 N_GB1_18 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 149 - CB_GB1_12 OG1_GB1_18 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 153 - CB_GB1_12 C_GB1_18 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 155 + CB_GB1_12 N_GB1_18 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 149 + CB_GB1_12 OG1_GB1_18 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 153 + CB_GB1_12 C_GB1_18 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 155 CB_GB1_12 O_GB1_18 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.957196e-04 0.004395 0.007862 True md_ensemble 7 102 156 - CB_GB1_12 N_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 157 - CB_GB1_12 CD_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 162 - CB_GB1_12 OE1_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 163 - CB_GB1_12 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 164 - CB_GB1_12 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 165 + CB_GB1_12 N_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 157 + CB_GB1_12 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 162 + CB_GB1_12 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 163 + CB_GB1_12 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 164 + CB_GB1_12 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 165 CB_GB1_12 O_GB1_19 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.799351e-04 0.004395 0.007862 True md_ensemble 7 102 166 - CB_GB1_12 N_GB1_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 167 - CB_GB1_12 C_GB1_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 171 + CB_GB1_12 N_GB1_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 167 + CB_GB1_12 C_GB1_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 171 CB_GB1_12 O_GB1_20 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.079080e-04 0.004395 0.007862 True md_ensemble 7 102 172 - CB_GB1_12 N_GB1_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 173 - CB_GB1_12 C_GB1_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 179 + CB_GB1_12 N_GB1_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 173 + CB_GB1_12 C_GB1_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 179 CB_GB1_12 O_GB1_21 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 102 180 - CB_GB1_12 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 181 - CB_GB1_12 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 185 - CB_GB1_12 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 186 - CB_GB1_12 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 187 - CB_GB1_12 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 188 + CB_GB1_12 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 181 + CB_GB1_12 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 185 + CB_GB1_12 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 186 + CB_GB1_12 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 187 + CB_GB1_12 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 188 CB_GB1_12 O_GB1_22 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 102 189 - CB_GB1_12 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 190 - CB_GB1_12 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 194 + CB_GB1_12 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 190 + CB_GB1_12 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 194 CB_GB1_12 O_GB1_23 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.997430e-04 0.004395 0.007862 True md_ensemble 7 102 195 - CB_GB1_12 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 196 - CB_GB1_12 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 200 + CB_GB1_12 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 196 + CB_GB1_12 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 200 CB_GB1_12 O_GB1_24 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.464667e-04 0.004395 0.007862 True md_ensemble 7 102 201 - CB_GB1_12 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 202 - CB_GB1_12 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 206 - CB_GB1_12 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 208 + CB_GB1_12 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 202 + CB_GB1_12 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 206 + CB_GB1_12 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 208 CB_GB1_12 O_GB1_25 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.250674e-04 0.004395 0.007862 True md_ensemble 7 102 209 - CB_GB1_12 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 210 - CB_GB1_12 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 214 + CB_GB1_12 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 210 + CB_GB1_12 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 214 CB_GB1_12 O_GB1_26 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.831559e-04 0.004395 0.007862 True md_ensemble 7 102 215 - CB_GB1_12 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 216 - CB_GB1_12 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 221 - CB_GB1_12 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 222 - CB_GB1_12 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 223 - CB_GB1_12 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 224 + CB_GB1_12 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 216 + CB_GB1_12 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 221 + CB_GB1_12 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 222 + CB_GB1_12 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 223 + CB_GB1_12 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 224 CB_GB1_12 O_GB1_27 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000177e-04 0.004395 0.007862 True md_ensemble 7 102 225 - CB_GB1_12 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 226 - CB_GB1_12 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 233 - CB_GB1_12 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 234 + CB_GB1_12 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 226 + CB_GB1_12 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 233 + CB_GB1_12 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 234 CB_GB1_12 O_GB1_28 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.992147e-05 0.004395 0.007862 True md_ensemble 7 102 235 - CB_GB1_12 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 236 - CB_GB1_12 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 242 + CB_GB1_12 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 236 + CB_GB1_12 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 242 CB_GB1_12 O_GB1_29 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000624e-04 0.004395 0.007862 True md_ensemble 7 102 243 - CB_GB1_12 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 244 - CB_GB1_12 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 254 + CB_GB1_12 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 244 + CB_GB1_12 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 254 CB_GB1_12 O_GB1_30 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000649e-04 0.004395 0.007862 True md_ensemble 7 102 255 - CB_GB1_12 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 256 - CB_GB1_12 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 263 - CB_GB1_12 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 264 + CB_GB1_12 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 256 + CB_GB1_12 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 263 + CB_GB1_12 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 264 CB_GB1_12 O_GB1_31 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 102 265 - CB_GB1_12 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 266 - CB_GB1_12 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 271 + CB_GB1_12 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 266 + CB_GB1_12 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 271 CB_GB1_12 OE1_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.993170e-04 0.004395 0.007862 True md_ensemble 7 102 272 - CB_GB1_12 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 273 - CB_GB1_12 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 274 + CB_GB1_12 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 273 + CB_GB1_12 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 274 CB_GB1_12 O_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 102 275 - CB_GB1_12 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 276 - CB_GB1_12 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 286 - CB_GB1_12 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 287 + CB_GB1_12 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 276 + CB_GB1_12 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 286 + CB_GB1_12 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 287 CB_GB1_12 O_GB1_33 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 4.334150e-04 9.998796e-05 0.004395 0.007862 True md_ensemble 7 102 288 - CB_GB1_12 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 289 - CB_GB1_12 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 293 + CB_GB1_12 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 289 + CB_GB1_12 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 293 CB_GB1_12 O_GB1_34 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 102 294 - CB_GB1_12 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 295 - CB_GB1_12 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 299 + CB_GB1_12 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 295 + CB_GB1_12 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 299 CB_GB1_12 OD1_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000584e-04 0.004395 0.007862 True md_ensemble 7 102 300 - CB_GB1_12 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 301 - CB_GB1_12 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 302 + CB_GB1_12 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 301 + CB_GB1_12 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 302 CB_GB1_12 O_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.557582e-05 0.004395 0.007862 True md_ensemble 7 102 303 - CB_GB1_12 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 304 - CB_GB1_12 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 308 - CB_GB1_12 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 309 - CB_GB1_12 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 310 - CB_GB1_12 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 311 + CB_GB1_12 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 304 + CB_GB1_12 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 308 + CB_GB1_12 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 309 + CB_GB1_12 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 310 + CB_GB1_12 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 311 CB_GB1_12 O_GB1_36 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 1.518750e-05 0.000000e+00 0.004395 0.007862 True md_ensemble 7 102 312 - CB_GB1_12 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 313 + CB_GB1_12 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 313 CB_GB1_12 CA_GB1_37 1 1.252640e-02 1.261934e-04 ; 4.647311e-01 3.108537e-01 4.682392e-01 1.599624e-04 0.004395 0.007117 True md_ensemble 7 102 315 CB_GB1_12 CB_GB1_37 1 5.037270e-03 1.924190e-05 ; 3.953746e-01 3.296724e-01 6.743455e-01 1.530943e-04 0.004395 0.007860 True md_ensemble 7 102 316 CB_GB1_12 CG_GB1_37 1 4.355329e-03 1.619873e-05 ; 3.936195e-01 2.927528e-01 3.296812e-01 1.888824e-04 0.004395 0.001132 True md_ensemble 7 102 317 @@ -17058,205 +17058,205 @@ CG2_GB1_11 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- CB_GB1_12 ND2_GB1_37 1 3.208789e-03 1.183814e-05 ; 3.930886e-01 2.174396e-01 7.657902e-02 3.364225e-04 0.004395 0.001132 True md_ensemble 7 102 319 CB_GB1_12 C_GB1_37 1 6.474813e-03 4.039695e-05 ; 4.290622e-01 2.594454e-01 1.728675e-01 0.000000e+00 0.004395 0.001132 True md_ensemble 7 102 320 CB_GB1_12 O_GB1_37 1 1.731177e-03 2.560968e-06 ; 3.375544e-01 2.925626e-01 3.284684e-01 0.000000e+00 0.004395 0.007862 True md_ensemble 7 102 321 - CB_GB1_12 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 322 - CB_GB1_12 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 325 + CB_GB1_12 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 322 + CB_GB1_12 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 325 CB_GB1_12 O_GB1_38 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 7.066700e-04 7.875894e-06 0.004395 0.007862 True md_ensemble 7 102 326 - CB_GB1_12 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 327 + CB_GB1_12 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 327 CB_GB1_12 CA_GB1_39 1 1.739174e-02 3.362418e-04 ; 5.180656e-01 2.248922e-01 8.848017e-02 1.615020e-04 0.004395 0.007117 True md_ensemble 7 102 329 CB_GB1_12 CB_GB1_39 1 1.721522e-02 2.421317e-04 ; 4.913110e-01 3.059943e-01 4.261489e-01 6.645604e-04 0.004395 0.007117 True md_ensemble 7 102 330 CB_GB1_12 CG1_GB1_39 1 2.939831e-03 1.052514e-05 ; 3.911268e-01 2.052848e-01 6.050500e-02 7.492141e-04 0.004395 0.012151 True md_ensemble 7 102 331 CB_GB1_12 CG2_GB1_39 1 3.212135e-03 7.619726e-06 ; 3.651945e-01 3.385230e-01 8.005474e-01 6.101345e-04 0.004395 0.012151 True md_ensemble 7 102 332 - CB_GB1_12 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 333 + CB_GB1_12 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 333 CB_GB1_12 O_GB1_39 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.010308e-04 0.004395 0.007862 True md_ensemble 7 102 334 - CB_GB1_12 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 335 - CB_GB1_12 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 339 - CB_GB1_12 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 340 - CB_GB1_12 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 341 - CB_GB1_12 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 342 + CB_GB1_12 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 335 + CB_GB1_12 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 339 + CB_GB1_12 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 340 + CB_GB1_12 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 341 + CB_GB1_12 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 342 CB_GB1_12 O_GB1_40 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 102 343 - CB_GB1_12 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 344 - CB_GB1_12 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 347 + CB_GB1_12 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 344 + CB_GB1_12 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 347 CB_GB1_12 O_GB1_41 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 102 348 - CB_GB1_12 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 349 - CB_GB1_12 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 354 - CB_GB1_12 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 355 - CB_GB1_12 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 356 - CB_GB1_12 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 357 + CB_GB1_12 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 349 + CB_GB1_12 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 354 + CB_GB1_12 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 355 + CB_GB1_12 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 356 + CB_GB1_12 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 357 CB_GB1_12 O_GB1_42 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 102 358 - CB_GB1_12 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 359 - CB_GB1_12 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 366 - CB_GB1_12 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 372 + CB_GB1_12 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 359 + CB_GB1_12 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 366 + CB_GB1_12 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 372 CB_GB1_12 O_GB1_43 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000528e-04 0.004395 0.007862 True md_ensemble 7 102 373 - CB_GB1_12 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 374 - CB_GB1_12 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 378 - CB_GB1_12 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 380 + CB_GB1_12 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 374 + CB_GB1_12 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 378 + CB_GB1_12 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 380 CB_GB1_12 O_GB1_44 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.564693e-06 0.004395 0.007862 True md_ensemble 7 102 381 - CB_GB1_12 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 382 - CB_GB1_12 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 392 - CB_GB1_12 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 393 + CB_GB1_12 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 382 + CB_GB1_12 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 392 + CB_GB1_12 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 393 CB_GB1_12 O_GB1_45 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 102 394 - CB_GB1_12 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 395 - CB_GB1_12 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 399 - CB_GB1_12 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 400 - CB_GB1_12 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 401 - CB_GB1_12 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 402 + CB_GB1_12 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 395 + CB_GB1_12 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 399 + CB_GB1_12 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 400 + CB_GB1_12 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 401 + CB_GB1_12 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 402 CB_GB1_12 O_GB1_46 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.038079e-05 0.004395 0.007862 True md_ensemble 7 102 403 - CB_GB1_12 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 404 - CB_GB1_12 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 408 - CB_GB1_12 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 409 - CB_GB1_12 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 410 - CB_GB1_12 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 411 + CB_GB1_12 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 404 + CB_GB1_12 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 408 + CB_GB1_12 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 409 + CB_GB1_12 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 410 + CB_GB1_12 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 411 CB_GB1_12 O_GB1_47 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.028715e-04 0.004395 0.007862 True md_ensemble 7 102 412 - CB_GB1_12 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 413 - CB_GB1_12 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 417 + CB_GB1_12 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 413 + CB_GB1_12 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 417 CB_GB1_12 O_GB1_48 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 102 418 - CB_GB1_12 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 419 - CB_GB1_12 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 423 - CB_GB1_12 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 425 + CB_GB1_12 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 419 + CB_GB1_12 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 423 + CB_GB1_12 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 425 CB_GB1_12 O_GB1_49 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 102 426 - CB_GB1_12 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 427 - CB_GB1_12 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 434 - CB_GB1_12 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 435 + CB_GB1_12 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 427 + CB_GB1_12 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 434 + CB_GB1_12 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 435 CB_GB1_12 O_GB1_50 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 102 436 - CB_GB1_12 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 437 - CB_GB1_12 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 441 - CB_GB1_12 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 443 + CB_GB1_12 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 437 + CB_GB1_12 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 441 + CB_GB1_12 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 443 CB_GB1_12 O_GB1_51 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000401e-04 0.004395 0.007862 True md_ensemble 7 102 444 - CB_GB1_12 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 445 - CB_GB1_12 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 455 + CB_GB1_12 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 445 + CB_GB1_12 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 455 CB_GB1_12 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 102 456 - CB_GB1_12 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 457 - CB_GB1_12 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 461 - CB_GB1_12 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 463 + CB_GB1_12 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 457 + CB_GB1_12 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 461 + CB_GB1_12 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 463 CB_GB1_12 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000649e-04 0.004395 0.007862 True md_ensemble 7 102 464 - CB_GB1_12 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 465 - CB_GB1_12 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 471 + CB_GB1_12 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 465 + CB_GB1_12 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 471 CB_GB1_12 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 102 472 - CB_GB1_12 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 473 - CB_GB1_12 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 477 - CB_GB1_12 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 479 + CB_GB1_12 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 473 + CB_GB1_12 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 477 + CB_GB1_12 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 479 CB_GB1_12 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 102 480 - CB_GB1_12 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 481 - CB_GB1_12 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 486 - CB_GB1_12 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 487 - CB_GB1_12 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 488 - CB_GB1_12 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 489 - CB_GB1_12 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 490 - CB_GB1_12 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 491 - CG_GB1_12 C_GB1_12 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 106 - CG_GB1_12 O_GB1_12 1 0.000000e+00 4.148500e-06 ; 3.171898e-01 -4.148500e-06 1.000000e+00 9.987976e-01 0.004395 0.001132 True md_ensemble 4 103 107 - CG_GB1_12 N_GB1_13 1 0.000000e+00 7.574830e-06 ; 3.335104e-01 -7.574830e-06 1.000000e+00 9.999782e-01 0.004395 0.001132 True md_ensemble 4 103 108 - CG_GB1_12 CA_GB1_13 1 0.000000e+00 6.461813e-05 ; 3.987413e-01 -6.461813e-05 9.991890e-01 9.848865e-01 0.004395 0.001132 True md_ensemble 5 103 110 - CG_GB1_12 CB_GB1_13 1 0.000000e+00 2.130728e-05 ; 3.635289e-01 -2.130728e-05 4.778920e-01 1.476447e-01 0.004395 0.001132 True md_ensemble 6 103 111 - CG_GB1_12 CG_GB1_13 1 0.000000e+00 3.530410e-05 ; 3.791524e-01 -3.530410e-05 1.072923e-02 1.204445e-01 0.004395 0.007117 True md_ensemble 7 103 112 - CG_GB1_12 NZ_GB1_13 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 115 + CB_GB1_12 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 481 + CB_GB1_12 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 486 + CB_GB1_12 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 487 + CB_GB1_12 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 488 + CB_GB1_12 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 489 + CB_GB1_12 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 490 + CB_GB1_12 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 102 491 + CG_GB1_12 C_GB1_12 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 106 + CG_GB1_12 O_GB1_12 1 0.000000e+00 4.148533e-06 ; 3.171900e-01 -4.148533e-06 1.000000e+00 9.987976e-01 0.004395 0.001132 True md_ensemble 4 103 107 + CG_GB1_12 N_GB1_13 1 0.000000e+00 7.574818e-06 ; 3.335104e-01 -7.574818e-06 1.000000e+00 9.999782e-01 0.004395 0.001132 True md_ensemble 4 103 108 + CG_GB1_12 CA_GB1_13 1 0.000000e+00 6.461860e-05 ; 3.987415e-01 -6.461860e-05 9.991890e-01 9.848865e-01 0.004395 0.001132 True md_ensemble 5 103 110 + CG_GB1_12 CB_GB1_13 1 0.000000e+00 2.130719e-05 ; 3.635288e-01 -2.130719e-05 4.778920e-01 1.476447e-01 0.004395 0.001132 True md_ensemble 6 103 111 + CG_GB1_12 CG_GB1_13 1 0.000000e+00 3.530395e-05 ; 3.791522e-01 -3.530395e-05 1.072923e-02 1.204445e-01 0.004395 0.007117 True md_ensemble 7 103 112 + CG_GB1_12 NZ_GB1_13 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 115 CG_GB1_12 C_GB1_13 1 1.434126e-03 5.070704e-06 ; 3.903134e-01 1.014020e-01 7.869594e-01 1.102435e-01 0.004395 0.001132 True md_ensemble 6 103 116 CG_GB1_12 O_GB1_13 1 1.799492e-03 3.364331e-06 ; 3.509874e-01 2.406251e-01 5.847718e-01 3.830084e-02 0.004395 0.007862 True md_ensemble 7 103 117 CG_GB1_12 N_GB1_14 1 6.935911e-04 1.700176e-06 ; 3.671964e-01 7.073807e-02 5.010707e-01 1.271826e-01 0.004395 0.001132 True md_ensemble 7 103 118 CG_GB1_12 CA_GB1_14 1 3.627220e-03 1.940995e-05 ; 4.182235e-01 1.694585e-01 5.420005e-01 1.276621e-01 0.004395 0.007117 True md_ensemble 7 103 120 - CG_GB1_12 C_GB1_14 1 0.000000e+00 1.272033e-05 ; 3.482330e-01 -1.272033e-05 6.576428e-02 4.036289e-02 0.004395 0.001132 True md_ensemble 7 103 121 + CG_GB1_12 C_GB1_14 1 0.000000e+00 1.272026e-05 ; 3.482328e-01 -1.272026e-05 6.576428e-02 4.036289e-02 0.004395 0.001132 True md_ensemble 7 103 121 CG_GB1_12 O_GB1_14 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 2.392200e-03 3.102361e-02 0.004395 0.007862 True md_ensemble 7 103 122 - CG_GB1_12 N_GB1_15 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 123 - CG_GB1_12 CD_GB1_15 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 128 - CG_GB1_12 OE1_GB1_15 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 129 - CG_GB1_12 OE2_GB1_15 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 130 - CG_GB1_12 C_GB1_15 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 131 + CG_GB1_12 N_GB1_15 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 123 + CG_GB1_12 CD_GB1_15 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 128 + CG_GB1_12 OE1_GB1_15 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 129 + CG_GB1_12 OE2_GB1_15 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 130 + CG_GB1_12 C_GB1_15 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 131 CG_GB1_12 O_GB1_15 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 1.927500e-06 1.816092e-02 0.004395 0.007862 True md_ensemble 7 103 132 - CG_GB1_12 N_GB1_16 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 133 - CG_GB1_12 OG1_GB1_16 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 137 - CG_GB1_12 C_GB1_16 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 139 + CG_GB1_12 N_GB1_16 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 133 + CG_GB1_12 OG1_GB1_16 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 137 + CG_GB1_12 C_GB1_16 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 139 CG_GB1_12 O_GB1_16 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.273120e-02 0.004395 0.007862 True md_ensemble 7 103 140 - CG_GB1_12 N_GB1_17 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 141 - CG_GB1_12 OG1_GB1_17 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 145 - CG_GB1_12 C_GB1_17 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 147 + CG_GB1_12 N_GB1_17 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 141 + CG_GB1_12 OG1_GB1_17 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 145 + CG_GB1_12 C_GB1_17 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 147 CG_GB1_12 O_GB1_17 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.606991e-03 0.004395 0.007862 True md_ensemble 7 103 148 - CG_GB1_12 N_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 149 - CG_GB1_12 OG1_GB1_18 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 153 - CG_GB1_12 C_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 155 + CG_GB1_12 N_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 149 + CG_GB1_12 OG1_GB1_18 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 153 + CG_GB1_12 C_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 155 CG_GB1_12 O_GB1_18 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.476570e-03 0.004395 0.007862 True md_ensemble 7 103 156 - CG_GB1_12 N_GB1_19 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 157 - CG_GB1_12 CD_GB1_19 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 162 - CG_GB1_12 OE1_GB1_19 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 163 - CG_GB1_12 OE2_GB1_19 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 164 - CG_GB1_12 C_GB1_19 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 165 + CG_GB1_12 N_GB1_19 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 157 + CG_GB1_12 CD_GB1_19 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 162 + CG_GB1_12 OE1_GB1_19 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 163 + CG_GB1_12 OE2_GB1_19 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 164 + CG_GB1_12 C_GB1_19 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 165 CG_GB1_12 O_GB1_19 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.265828e-03 0.004395 0.007862 True md_ensemble 7 103 166 - CG_GB1_12 N_GB1_20 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 167 - CG_GB1_12 C_GB1_20 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 171 + CG_GB1_12 N_GB1_20 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 167 + CG_GB1_12 C_GB1_20 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 171 CG_GB1_12 O_GB1_20 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 5.733102e-04 0.004395 0.007862 True md_ensemble 7 103 172 - CG_GB1_12 N_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 173 - CG_GB1_12 C_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 179 + CG_GB1_12 N_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 173 + CG_GB1_12 C_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 179 CG_GB1_12 O_GB1_21 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.364179e-04 0.004395 0.007862 True md_ensemble 7 103 180 - CG_GB1_12 N_GB1_22 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 181 - CG_GB1_12 CG_GB1_22 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 185 - CG_GB1_12 OD1_GB1_22 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 186 - CG_GB1_12 OD2_GB1_22 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 187 - CG_GB1_12 C_GB1_22 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 188 + CG_GB1_12 N_GB1_22 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 181 + CG_GB1_12 CG_GB1_22 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 185 + CG_GB1_12 OD1_GB1_22 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 186 + CG_GB1_12 OD2_GB1_22 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 187 + CG_GB1_12 C_GB1_22 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 188 CG_GB1_12 O_GB1_22 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 4.878834e-04 0.004395 0.007862 True md_ensemble 7 103 189 - CG_GB1_12 N_GB1_23 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 190 - CG_GB1_12 C_GB1_23 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 194 + CG_GB1_12 N_GB1_23 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 190 + CG_GB1_12 C_GB1_23 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 194 CG_GB1_12 O_GB1_23 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 6.108097e-04 0.004395 0.007862 True md_ensemble 7 103 195 - CG_GB1_12 N_GB1_24 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 196 - CG_GB1_12 C_GB1_24 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 200 + CG_GB1_12 N_GB1_24 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 196 + CG_GB1_12 C_GB1_24 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 200 CG_GB1_12 O_GB1_24 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.509785e-04 0.004395 0.007862 True md_ensemble 7 103 201 - CG_GB1_12 N_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 202 - CG_GB1_12 OG1_GB1_25 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 206 - CG_GB1_12 C_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 208 + CG_GB1_12 N_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 202 + CG_GB1_12 OG1_GB1_25 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 206 + CG_GB1_12 C_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 208 CG_GB1_12 O_GB1_25 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.564193e-04 0.004395 0.007862 True md_ensemble 7 103 209 - CG_GB1_12 N_GB1_26 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 210 - CG_GB1_12 C_GB1_26 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 214 + CG_GB1_12 N_GB1_26 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 210 + CG_GB1_12 C_GB1_26 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 214 CG_GB1_12 O_GB1_26 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.268529e-04 0.004395 0.007862 True md_ensemble 7 103 215 - CG_GB1_12 N_GB1_27 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 216 - CG_GB1_12 CD_GB1_27 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 221 - CG_GB1_12 OE1_GB1_27 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 222 - CG_GB1_12 OE2_GB1_27 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 223 - CG_GB1_12 C_GB1_27 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 224 + CG_GB1_12 N_GB1_27 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 216 + CG_GB1_12 CD_GB1_27 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 221 + CG_GB1_12 OE1_GB1_27 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 222 + CG_GB1_12 OE2_GB1_27 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 223 + CG_GB1_12 C_GB1_27 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 224 CG_GB1_12 O_GB1_27 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.079351e-04 0.004395 0.007862 True md_ensemble 7 103 225 - CG_GB1_12 N_GB1_28 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 226 - CG_GB1_12 NZ_GB1_28 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 233 - CG_GB1_12 C_GB1_28 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 234 + CG_GB1_12 N_GB1_28 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 226 + CG_GB1_12 NZ_GB1_28 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 233 + CG_GB1_12 C_GB1_28 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 234 CG_GB1_12 O_GB1_28 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.485121e-04 0.004395 0.007862 True md_ensemble 7 103 235 - CG_GB1_12 N_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 236 - CG_GB1_12 C_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 242 + CG_GB1_12 N_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 236 + CG_GB1_12 C_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 242 CG_GB1_12 O_GB1_29 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.170869e-04 0.004395 0.007862 True md_ensemble 7 103 243 - CG_GB1_12 N_GB1_30 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 244 - CG_GB1_12 C_GB1_30 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 254 + CG_GB1_12 N_GB1_30 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 244 + CG_GB1_12 C_GB1_30 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 254 CG_GB1_12 O_GB1_30 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.278767e-04 0.004395 0.007862 True md_ensemble 7 103 255 - CG_GB1_12 N_GB1_31 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 256 - CG_GB1_12 NZ_GB1_31 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 263 - CG_GB1_12 C_GB1_31 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 264 + CG_GB1_12 N_GB1_31 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 256 + CG_GB1_12 NZ_GB1_31 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 263 + CG_GB1_12 C_GB1_31 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 264 CG_GB1_12 O_GB1_31 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.936787e-05 0.004395 0.007862 True md_ensemble 7 103 265 - CG_GB1_12 N_GB1_32 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 266 - CG_GB1_12 CD_GB1_32 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 271 + CG_GB1_12 N_GB1_32 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 266 + CG_GB1_12 CD_GB1_32 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 271 CG_GB1_12 OE1_GB1_32 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 7.165113e-04 0.004395 0.007862 True md_ensemble 7 103 272 - CG_GB1_12 NE2_GB1_32 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 273 - CG_GB1_12 C_GB1_32 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 274 + CG_GB1_12 NE2_GB1_32 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 273 + CG_GB1_12 C_GB1_32 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 274 CG_GB1_12 O_GB1_32 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 8.250517e-05 0.004395 0.007862 True md_ensemble 7 103 275 - CG_GB1_12 N_GB1_33 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 276 + CG_GB1_12 N_GB1_33 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 276 CG_GB1_12 CD1_GB1_33 1 5.006379e-03 4.768517e-05 ; 4.604084e-01 1.314026e-01 1.444950e-02 9.329148e-04 0.004395 0.010759 True md_ensemble 7 103 281 CG_GB1_12 CD2_GB1_33 1 5.006379e-03 4.768517e-05 ; 4.604084e-01 1.314026e-01 1.444950e-02 9.329148e-04 0.004395 0.010759 True md_ensemble 7 103 282 CG_GB1_12 CE1_GB1_33 1 6.773110e-03 4.985943e-05 ; 4.410554e-01 2.300218e-01 9.772972e-02 1.542296e-03 0.004395 0.010759 True md_ensemble 7 103 283 CG_GB1_12 CE2_GB1_33 1 6.773110e-03 4.985943e-05 ; 4.410554e-01 2.300218e-01 9.772972e-02 1.542296e-03 0.004395 0.010759 True md_ensemble 7 103 284 CG_GB1_12 CZ_GB1_33 1 8.176260e-03 6.820004e-05 ; 4.503377e-01 2.450557e-01 1.307920e-01 1.258398e-03 0.004395 0.010759 True md_ensemble 7 103 285 CG_GB1_12 OH_GB1_33 1 4.668089e-03 2.157018e-05 ; 4.081180e-01 2.525599e-01 1.603277e-01 1.199404e-03 0.004395 0.001132 True md_ensemble 7 103 286 - CG_GB1_12 C_GB1_33 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 287 + CG_GB1_12 C_GB1_33 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 287 CG_GB1_12 O_GB1_33 1 2.190616e-03 1.313896e-05 ; 4.262514e-01 9.130853e-02 6.642655e-03 3.034428e-04 0.004395 0.007862 True md_ensemble 7 103 288 - CG_GB1_12 N_GB1_34 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 289 + CG_GB1_12 N_GB1_34 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 289 CG_GB1_12 CA_GB1_34 1 1.243099e-02 2.684957e-04 ; 5.277221e-01 1.438846e-01 1.840456e-02 8.350861e-04 0.004395 0.006476 True md_ensemble 7 103 291 - CG_GB1_12 C_GB1_34 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 293 + CG_GB1_12 C_GB1_34 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 293 CG_GB1_12 O_GB1_34 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 1.253900e-04 2.975802e-04 0.004395 0.007862 True md_ensemble 7 103 294 - CG_GB1_12 N_GB1_35 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 295 - CG_GB1_12 CG_GB1_35 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 299 + CG_GB1_12 N_GB1_35 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 295 + CG_GB1_12 CG_GB1_35 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 299 CG_GB1_12 OD1_GB1_35 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.995317e-04 0.004395 0.007862 True md_ensemble 7 103 300 - CG_GB1_12 ND2_GB1_35 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 301 - CG_GB1_12 C_GB1_35 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 302 + CG_GB1_12 ND2_GB1_35 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 301 + CG_GB1_12 C_GB1_35 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 302 CG_GB1_12 O_GB1_35 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.999877e-04 0.004395 0.007862 True md_ensemble 7 103 303 - CG_GB1_12 N_GB1_36 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 304 - CG_GB1_12 CG_GB1_36 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 308 - CG_GB1_12 OD1_GB1_36 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 309 - CG_GB1_12 OD2_GB1_36 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 310 - CG_GB1_12 C_GB1_36 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 311 + CG_GB1_12 N_GB1_36 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 304 + CG_GB1_12 CG_GB1_36 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 308 + CG_GB1_12 OD1_GB1_36 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 309 + CG_GB1_12 OD2_GB1_36 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 310 + CG_GB1_12 C_GB1_36 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 311 CG_GB1_12 O_GB1_36 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 3.636900e-04 1.620022e-04 0.004395 0.007862 True md_ensemble 7 103 312 - CG_GB1_12 N_GB1_37 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 313 + CG_GB1_12 N_GB1_37 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 313 CG_GB1_12 CA_GB1_37 1 1.496925e-02 1.673338e-04 ; 4.728579e-01 3.347776e-01 7.444893e-01 6.180585e-04 0.004395 0.006476 True md_ensemble 7 103 315 CG_GB1_12 CB_GB1_37 1 5.474726e-03 2.165164e-05 ; 3.976687e-01 3.460781e-01 9.267984e-01 6.863143e-04 0.004395 0.007117 True md_ensemble 7 103 316 CG_GB1_12 CG_GB1_37 1 5.936653e-03 2.613186e-05 ; 4.048288e-01 3.371732e-01 7.798742e-01 4.691609e-04 0.004395 0.001132 True md_ensemble 7 103 317 @@ -17264,205 +17264,205 @@ CG2_GB1_11 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- CG_GB1_12 ND2_GB1_37 1 6.176324e-03 3.315348e-05 ; 4.184400e-01 2.876544e-01 2.986596e-01 8.721239e-04 0.004395 0.001132 True md_ensemble 7 103 319 CG_GB1_12 C_GB1_37 1 7.780030e-03 5.236279e-05 ; 4.345171e-01 2.889880e-01 3.064803e-01 2.273093e-04 0.004395 0.001132 True md_ensemble 7 103 320 CG_GB1_12 O_GB1_37 1 2.045046e-03 3.440479e-06 ; 3.448678e-01 3.038977e-01 4.091776e-01 2.784011e-04 0.004395 0.007862 True md_ensemble 7 103 321 - CG_GB1_12 N_GB1_38 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 322 + CG_GB1_12 N_GB1_38 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 322 CG_GB1_12 CA_GB1_38 1 1.118532e-02 2.161323e-04 ; 5.180184e-01 1.447163e-01 1.870366e-02 5.800669e-04 0.004395 0.007117 True md_ensemble 7 103 324 CG_GB1_12 C_GB1_38 1 4.872653e-03 5.442834e-05 ; 4.727991e-01 1.090551e-01 9.369827e-03 2.713835e-04 0.004395 0.001132 True md_ensemble 7 103 325 CG_GB1_12 O_GB1_38 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 2.664512e-03 2.857523e-04 0.004395 0.007862 True md_ensemble 7 103 326 - CG_GB1_12 N_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 327 + CG_GB1_12 N_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 327 CG_GB1_12 CA_GB1_39 1 1.986236e-02 4.602303e-04 ; 5.339379e-01 2.143021e-01 7.206076e-02 5.067462e-04 0.004395 0.006476 True md_ensemble 7 103 329 CG_GB1_12 CB_GB1_39 1 2.456983e-02 5.025337e-04 ; 5.229504e-01 3.003164e-01 3.817372e-01 1.022882e-03 0.004395 0.006476 True md_ensemble 7 103 330 CG_GB1_12 CG1_GB1_39 1 5.180455e-03 3.595317e-05 ; 4.367453e-01 1.866116e-01 4.213086e-02 1.037848e-03 0.004395 0.010759 True md_ensemble 7 103 331 CG_GB1_12 CG2_GB1_39 1 5.041715e-03 1.903114e-05 ; 3.945915e-01 3.339119e-01 7.321002e-01 4.482365e-04 0.004395 0.010759 True md_ensemble 7 103 332 - CG_GB1_12 C_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 333 + CG_GB1_12 C_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 333 CG_GB1_12 O_GB1_39 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.000078e-04 0.004395 0.007862 True md_ensemble 7 103 334 - CG_GB1_12 N_GB1_40 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 335 - CG_GB1_12 CG_GB1_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 339 - CG_GB1_12 OD1_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 340 - CG_GB1_12 OD2_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 341 - CG_GB1_12 C_GB1_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 342 + CG_GB1_12 N_GB1_40 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 335 + CG_GB1_12 CG_GB1_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 339 + CG_GB1_12 OD1_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 340 + CG_GB1_12 OD2_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 341 + CG_GB1_12 C_GB1_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 342 CG_GB1_12 O_GB1_40 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.150125e-04 0.004395 0.007862 True md_ensemble 7 103 343 - CG_GB1_12 N_GB1_41 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 344 - CG_GB1_12 C_GB1_41 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 347 + CG_GB1_12 N_GB1_41 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 344 + CG_GB1_12 C_GB1_41 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 347 CG_GB1_12 O_GB1_41 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 103 348 - CG_GB1_12 N_GB1_42 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 349 - CG_GB1_12 CD_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 354 - CG_GB1_12 OE1_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 355 - CG_GB1_12 OE2_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 356 - CG_GB1_12 C_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 357 + CG_GB1_12 N_GB1_42 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 349 + CG_GB1_12 CD_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 354 + CG_GB1_12 OE1_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 355 + CG_GB1_12 OE2_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 356 + CG_GB1_12 C_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 357 CG_GB1_12 O_GB1_42 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 103 358 - CG_GB1_12 N_GB1_43 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 359 - CG_GB1_12 NE1_GB1_43 1 0.000000e+00 9.937288e-06 ; 8.853117e-06 -9.937288e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 366 - CG_GB1_12 C_GB1_43 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 372 + CG_GB1_12 N_GB1_43 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 359 + CG_GB1_12 NE1_GB1_43 1 0.000000e+00 9.937231e-06 ; 8.853066e-06 -9.937231e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 366 + CG_GB1_12 C_GB1_43 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 372 CG_GB1_12 O_GB1_43 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.998252e-04 0.004395 0.007862 True md_ensemble 7 103 373 - CG_GB1_12 N_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 374 - CG_GB1_12 OG1_GB1_44 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 378 - CG_GB1_12 C_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 380 + CG_GB1_12 N_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 374 + CG_GB1_12 OG1_GB1_44 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 378 + CG_GB1_12 C_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 380 CG_GB1_12 O_GB1_44 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.394086e-04 0.004395 0.007862 True md_ensemble 7 103 381 - CG_GB1_12 N_GB1_45 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 382 - CG_GB1_12 OH_GB1_45 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 392 - CG_GB1_12 C_GB1_45 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 393 + CG_GB1_12 N_GB1_45 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 382 + CG_GB1_12 OH_GB1_45 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 392 + CG_GB1_12 C_GB1_45 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 393 CG_GB1_12 O_GB1_45 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 103 394 - CG_GB1_12 N_GB1_46 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 395 - CG_GB1_12 CG_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 399 - CG_GB1_12 OD1_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 400 - CG_GB1_12 OD2_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 401 - CG_GB1_12 C_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 402 + CG_GB1_12 N_GB1_46 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 395 + CG_GB1_12 CG_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 399 + CG_GB1_12 OD1_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 400 + CG_GB1_12 OD2_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 401 + CG_GB1_12 C_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 402 CG_GB1_12 O_GB1_46 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.999081e-04 0.004395 0.007862 True md_ensemble 7 103 403 - CG_GB1_12 N_GB1_47 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 404 - CG_GB1_12 CG_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 408 - CG_GB1_12 OD1_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 409 - CG_GB1_12 OD2_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 410 - CG_GB1_12 C_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 411 + CG_GB1_12 N_GB1_47 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 404 + CG_GB1_12 CG_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 408 + CG_GB1_12 OD1_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 409 + CG_GB1_12 OD2_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 410 + CG_GB1_12 C_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 411 CG_GB1_12 O_GB1_47 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.966894e-04 0.004395 0.007862 True md_ensemble 7 103 412 - CG_GB1_12 N_GB1_48 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 413 - CG_GB1_12 C_GB1_48 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 417 + CG_GB1_12 N_GB1_48 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 413 + CG_GB1_12 C_GB1_48 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 417 CG_GB1_12 O_GB1_48 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.669363e-04 0.004395 0.007862 True md_ensemble 7 103 418 - CG_GB1_12 N_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 419 - CG_GB1_12 OG1_GB1_49 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 423 - CG_GB1_12 C_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 425 + CG_GB1_12 N_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 419 + CG_GB1_12 OG1_GB1_49 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 423 + CG_GB1_12 C_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 425 CG_GB1_12 O_GB1_49 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.679490e-04 0.004395 0.007862 True md_ensemble 7 103 426 - CG_GB1_12 N_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 427 - CG_GB1_12 NZ_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 434 - CG_GB1_12 C_GB1_50 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 435 + CG_GB1_12 N_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 427 + CG_GB1_12 NZ_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 434 + CG_GB1_12 C_GB1_50 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 435 CG_GB1_12 O_GB1_50 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 103 436 - CG_GB1_12 N_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 437 - CG_GB1_12 OG1_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 441 - CG_GB1_12 C_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 443 + CG_GB1_12 N_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 437 + CG_GB1_12 OG1_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 441 + CG_GB1_12 C_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 443 CG_GB1_12 O_GB1_51 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 9.551819e-05 0.004395 0.007862 True md_ensemble 7 103 444 - CG_GB1_12 N_GB1_52 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 445 - CG_GB1_12 C_GB1_52 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 455 + CG_GB1_12 N_GB1_52 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 445 + CG_GB1_12 C_GB1_52 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 455 CG_GB1_12 O_GB1_52 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 103 456 - CG_GB1_12 N_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 457 - CG_GB1_12 OG1_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 461 - CG_GB1_12 C_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 463 + CG_GB1_12 N_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 457 + CG_GB1_12 OG1_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 461 + CG_GB1_12 C_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 463 CG_GB1_12 O_GB1_53 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.599683e-04 0.004395 0.007862 True md_ensemble 7 103 464 - CG_GB1_12 N_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 465 - CG_GB1_12 C_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 471 + CG_GB1_12 N_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 465 + CG_GB1_12 C_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 471 CG_GB1_12 O_GB1_54 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 4.220000e-05 0.000000e+00 0.004395 0.007862 True md_ensemble 7 103 472 - CG_GB1_12 N_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 473 - CG_GB1_12 OG1_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 477 - CG_GB1_12 C_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 479 + CG_GB1_12 N_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 473 + CG_GB1_12 OG1_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 477 + CG_GB1_12 C_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 479 CG_GB1_12 O_GB1_55 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.182442e-04 0.004395 0.007862 True md_ensemble 7 103 480 - CG_GB1_12 N_GB1_56 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 481 - CG_GB1_12 CD_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 486 - CG_GB1_12 OE1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 487 - CG_GB1_12 OE2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 488 - CG_GB1_12 C_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 489 - CG_GB1_12 O1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 490 - CG_GB1_12 O2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 491 -CD1_GB1_12 C_GB1_12 1 0.000000e+00 4.424361e-06 ; 3.188961e-01 -4.424361e-06 9.936180e-01 9.297697e-01 0.004395 0.001132 True md_ensemble 4 104 106 + CG_GB1_12 N_GB1_56 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 481 + CG_GB1_12 CD_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 486 + CG_GB1_12 OE1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 487 + CG_GB1_12 OE2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 488 + CG_GB1_12 C_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 489 + CG_GB1_12 O1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 490 + CG_GB1_12 O2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 103 491 +CD1_GB1_12 C_GB1_12 1 0.000000e+00 4.424303e-06 ; 3.188958e-01 -4.424303e-06 9.936180e-01 9.297697e-01 0.004395 0.001132 True md_ensemble 4 104 106 CD1_GB1_12 O_GB1_12 1 0.000000e+00 9.734857e-07 ; 2.810967e-01 -9.734857e-07 4.940280e-01 1.412960e-01 0.004395 0.001132 True md_ensemble 5 104 107 CD1_GB1_12 N_GB1_13 1 3.399323e-04 3.843139e-07 ; 3.227619e-01 7.516899e-02 7.521326e-01 1.751958e-01 0.004395 0.001132 True md_ensemble 5 104 108 CD1_GB1_12 CA_GB1_13 1 1.511144e-03 6.609769e-06 ; 4.044021e-01 8.637053e-02 7.338287e-01 1.375719e-01 0.004395 0.001132 True md_ensemble 6 104 110 CD1_GB1_12 CB_GB1_13 1 9.777063e-03 1.301596e-04 ; 4.868307e-01 1.836033e-01 7.465714e-02 2.282514e-02 0.004395 0.012151 True md_ensemble 7 104 111 -CD1_GB1_12 NZ_GB1_13 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 115 +CD1_GB1_12 NZ_GB1_13 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 115 CD1_GB1_12 C_GB1_13 1 1.502562e-03 3.455807e-06 ; 3.633174e-01 1.633259e-01 6.066550e-01 2.558989e-02 0.004395 0.001132 True md_ensemble 7 104 116 CD1_GB1_12 O_GB1_13 1 1.190703e-03 1.251878e-06 ; 3.188794e-01 2.831293e-01 4.990325e-01 1.434007e-02 0.004395 0.007862 True md_ensemble 7 104 117 CD1_GB1_12 N_GB1_14 1 6.671801e-04 1.035353e-06 ; 3.402574e-01 1.074825e-01 3.237939e-01 4.031658e-02 0.004395 0.001132 True md_ensemble 7 104 118 CD1_GB1_12 CA_GB1_14 1 2.769922e-03 8.128969e-06 ; 3.783798e-01 2.359607e-01 3.877385e-01 4.296728e-02 0.004395 0.012151 True md_ensemble 7 104 120 -CD1_GB1_12 C_GB1_14 1 0.000000e+00 4.629691e-06 ; 3.201039e-01 -4.629691e-06 3.394606e-02 1.354364e-02 0.004395 0.001132 True md_ensemble 7 104 121 +CD1_GB1_12 C_GB1_14 1 0.000000e+00 4.629631e-06 ; 3.201036e-01 -4.629631e-06 3.394606e-02 1.354364e-02 0.004395 0.001132 True md_ensemble 7 104 121 CD1_GB1_12 O_GB1_14 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 122 -CD1_GB1_12 N_GB1_15 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 123 -CD1_GB1_12 CD_GB1_15 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 128 +CD1_GB1_12 N_GB1_15 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 123 +CD1_GB1_12 CD_GB1_15 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 128 CD1_GB1_12 OE1_GB1_15 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 129 CD1_GB1_12 OE2_GB1_15 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 130 -CD1_GB1_12 C_GB1_15 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 131 +CD1_GB1_12 C_GB1_15 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 131 CD1_GB1_12 O_GB1_15 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 132 -CD1_GB1_12 N_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 133 -CD1_GB1_12 OG1_GB1_16 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 137 -CD1_GB1_12 C_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 139 +CD1_GB1_12 N_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 133 +CD1_GB1_12 OG1_GB1_16 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 137 +CD1_GB1_12 C_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 139 CD1_GB1_12 O_GB1_16 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 140 -CD1_GB1_12 N_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 141 -CD1_GB1_12 OG1_GB1_17 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 145 -CD1_GB1_12 C_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 147 +CD1_GB1_12 N_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 141 +CD1_GB1_12 OG1_GB1_17 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 145 +CD1_GB1_12 C_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 147 CD1_GB1_12 O_GB1_17 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 148 -CD1_GB1_12 N_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 149 -CD1_GB1_12 OG1_GB1_18 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 153 -CD1_GB1_12 C_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 155 +CD1_GB1_12 N_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 149 +CD1_GB1_12 OG1_GB1_18 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 153 +CD1_GB1_12 C_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 155 CD1_GB1_12 O_GB1_18 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 156 -CD1_GB1_12 N_GB1_19 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 157 -CD1_GB1_12 CD_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 162 +CD1_GB1_12 N_GB1_19 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 157 +CD1_GB1_12 CD_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 162 CD1_GB1_12 OE1_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 163 CD1_GB1_12 OE2_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 164 -CD1_GB1_12 C_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 165 +CD1_GB1_12 C_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 165 CD1_GB1_12 O_GB1_19 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 166 -CD1_GB1_12 N_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 167 -CD1_GB1_12 C_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 171 +CD1_GB1_12 N_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 167 +CD1_GB1_12 C_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 171 CD1_GB1_12 O_GB1_20 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 172 -CD1_GB1_12 N_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 173 -CD1_GB1_12 C_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 179 +CD1_GB1_12 N_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 173 +CD1_GB1_12 C_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 179 CD1_GB1_12 O_GB1_21 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 180 -CD1_GB1_12 N_GB1_22 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 181 -CD1_GB1_12 CG_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 185 +CD1_GB1_12 N_GB1_22 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 181 +CD1_GB1_12 CG_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 185 CD1_GB1_12 OD1_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 186 CD1_GB1_12 OD2_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 187 -CD1_GB1_12 C_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 188 +CD1_GB1_12 C_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 188 CD1_GB1_12 O_GB1_22 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 189 -CD1_GB1_12 N_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 190 -CD1_GB1_12 C_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 194 +CD1_GB1_12 N_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 190 +CD1_GB1_12 C_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 194 CD1_GB1_12 O_GB1_23 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 195 -CD1_GB1_12 N_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 196 -CD1_GB1_12 C_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 200 +CD1_GB1_12 N_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 196 +CD1_GB1_12 C_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 200 CD1_GB1_12 O_GB1_24 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 201 -CD1_GB1_12 N_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 202 -CD1_GB1_12 OG1_GB1_25 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 206 -CD1_GB1_12 C_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 208 +CD1_GB1_12 N_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 202 +CD1_GB1_12 OG1_GB1_25 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 206 +CD1_GB1_12 C_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 208 CD1_GB1_12 O_GB1_25 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 209 -CD1_GB1_12 N_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 210 -CD1_GB1_12 C_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 214 +CD1_GB1_12 N_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 210 +CD1_GB1_12 C_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 214 CD1_GB1_12 O_GB1_26 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 215 -CD1_GB1_12 N_GB1_27 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 216 -CD1_GB1_12 CD_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 221 +CD1_GB1_12 N_GB1_27 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 216 +CD1_GB1_12 CD_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 221 CD1_GB1_12 OE1_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 222 CD1_GB1_12 OE2_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 223 -CD1_GB1_12 C_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 224 +CD1_GB1_12 C_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 224 CD1_GB1_12 O_GB1_27 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 225 -CD1_GB1_12 N_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 226 -CD1_GB1_12 NZ_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 233 -CD1_GB1_12 C_GB1_28 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 234 +CD1_GB1_12 N_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 226 +CD1_GB1_12 NZ_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 233 +CD1_GB1_12 C_GB1_28 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 234 CD1_GB1_12 O_GB1_28 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 235 -CD1_GB1_12 N_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 236 -CD1_GB1_12 C_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 242 +CD1_GB1_12 N_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 236 +CD1_GB1_12 C_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 242 CD1_GB1_12 O_GB1_29 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 243 -CD1_GB1_12 N_GB1_30 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 244 -CD1_GB1_12 C_GB1_30 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 254 +CD1_GB1_12 N_GB1_30 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 244 +CD1_GB1_12 C_GB1_30 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 254 CD1_GB1_12 O_GB1_30 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 255 -CD1_GB1_12 N_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 256 -CD1_GB1_12 NZ_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 263 -CD1_GB1_12 C_GB1_31 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 264 +CD1_GB1_12 N_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 256 +CD1_GB1_12 NZ_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 263 +CD1_GB1_12 C_GB1_31 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 264 CD1_GB1_12 O_GB1_31 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 265 -CD1_GB1_12 N_GB1_32 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 266 -CD1_GB1_12 CD_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 271 +CD1_GB1_12 N_GB1_32 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 266 +CD1_GB1_12 CD_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 271 CD1_GB1_12 OE1_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 272 -CD1_GB1_12 NE2_GB1_32 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 273 -CD1_GB1_12 C_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 274 +CD1_GB1_12 NE2_GB1_32 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 273 +CD1_GB1_12 C_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 274 CD1_GB1_12 O_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 275 -CD1_GB1_12 N_GB1_33 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 276 +CD1_GB1_12 N_GB1_33 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 276 CD1_GB1_12 CD1_GB1_33 1 1.191988e-03 3.753007e-06 ; 3.828406e-01 9.464640e-02 7.086630e-03 1.181983e-03 0.004395 0.020719 True md_ensemble 7 104 281 CD1_GB1_12 CD2_GB1_33 1 1.191988e-03 3.753007e-06 ; 3.828406e-01 9.464640e-02 7.086630e-03 1.181983e-03 0.004395 0.020719 True md_ensemble 7 104 282 CD1_GB1_12 CE1_GB1_33 1 1.435408e-03 3.125067e-06 ; 3.600095e-01 1.648283e-01 2.762035e-02 1.117454e-03 0.004395 0.020719 True md_ensemble 7 104 283 CD1_GB1_12 CE2_GB1_33 1 1.435408e-03 3.125067e-06 ; 3.600095e-01 1.648283e-01 2.762035e-02 1.117454e-03 0.004395 0.020719 True md_ensemble 7 104 284 CD1_GB1_12 CZ_GB1_33 1 2.335042e-03 6.941380e-06 ; 3.791914e-01 1.963738e-01 5.090712e-02 1.437205e-03 0.004395 0.020719 True md_ensemble 7 104 285 CD1_GB1_12 OH_GB1_33 1 1.291768e-03 1.880490e-06 ; 3.366519e-01 2.218390e-01 8.396320e-02 1.139342e-03 0.004395 0.001132 True md_ensemble 7 104 286 -CD1_GB1_12 C_GB1_33 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 287 +CD1_GB1_12 C_GB1_33 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 287 CD1_GB1_12 O_GB1_33 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 288 -CD1_GB1_12 N_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 289 +CD1_GB1_12 N_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 289 CD1_GB1_12 CA_GB1_34 1 1.309491e-03 4.346256e-06 ; 3.862206e-01 9.863469e-02 7.656197e-03 6.718397e-04 0.004395 0.010759 True md_ensemble 7 104 291 -CD1_GB1_12 C_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 293 +CD1_GB1_12 C_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 293 CD1_GB1_12 O_GB1_34 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 294 -CD1_GB1_12 N_GB1_35 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 295 -CD1_GB1_12 CG_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 299 +CD1_GB1_12 N_GB1_35 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 295 +CD1_GB1_12 CG_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 299 CD1_GB1_12 OD1_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 300 -CD1_GB1_12 ND2_GB1_35 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 301 -CD1_GB1_12 C_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 302 +CD1_GB1_12 ND2_GB1_35 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 301 +CD1_GB1_12 C_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 302 CD1_GB1_12 O_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 303 -CD1_GB1_12 N_GB1_36 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 304 -CD1_GB1_12 CG_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 308 +CD1_GB1_12 N_GB1_36 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 304 +CD1_GB1_12 CG_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 308 CD1_GB1_12 OD1_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 309 CD1_GB1_12 OD2_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 310 -CD1_GB1_12 C_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 311 +CD1_GB1_12 C_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 311 CD1_GB1_12 O_GB1_36 1 6.251296e-04 1.187287e-06 ; 3.519094e-01 8.228573e-02 5.576837e-03 0.000000e+00 0.004395 0.007862 True md_ensemble 7 104 312 -CD1_GB1_12 N_GB1_37 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 313 +CD1_GB1_12 N_GB1_37 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 313 CD1_GB1_12 CA_GB1_37 1 4.235666e-03 1.477554e-05 ; 3.894368e-01 3.035568e-01 4.064828e-01 6.046318e-04 0.004395 0.010759 True md_ensemble 7 104 315 CD1_GB1_12 CB_GB1_37 1 2.556872e-03 5.131867e-06 ; 3.551630e-01 3.184804e-01 5.428360e-01 6.855305e-04 0.004395 0.012151 True md_ensemble 7 104 316 CD1_GB1_12 CG_GB1_37 1 2.606249e-03 5.473198e-06 ; 3.578526e-01 3.102634e-01 4.629121e-01 7.525908e-04 0.004395 0.001132 True md_ensemble 7 104 317 @@ -17479,171 +17479,171 @@ CD1_GB1_12 CA_GB1_39 1 2.682891e-03 1.017242e-05 ; 3.948846e-01 1.768975e- CD1_GB1_12 CB_GB1_39 1 9.179844e-03 8.396708e-05 ; 4.573117e-01 2.509005e-01 1.464816e-01 1.068053e-03 0.004395 0.010759 True md_ensemble 7 104 330 CD1_GB1_12 CG1_GB1_39 1 1.335379e-03 3.173823e-06 ; 3.653112e-01 1.404644e-01 1.722402e-02 1.037210e-03 0.004395 0.020717 True md_ensemble 7 104 331 CD1_GB1_12 CG2_GB1_39 1 2.157676e-03 4.105412e-06 ; 3.520155e-01 2.835018e-01 2.755622e-01 5.999649e-04 0.004395 0.020717 True md_ensemble 7 104 332 -CD1_GB1_12 C_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 333 +CD1_GB1_12 C_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 333 CD1_GB1_12 O_GB1_39 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 334 -CD1_GB1_12 N_GB1_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 335 -CD1_GB1_12 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 339 +CD1_GB1_12 N_GB1_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 335 +CD1_GB1_12 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 339 CD1_GB1_12 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 340 CD1_GB1_12 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 341 -CD1_GB1_12 C_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 342 +CD1_GB1_12 C_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 342 CD1_GB1_12 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 343 -CD1_GB1_12 N_GB1_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 344 -CD1_GB1_12 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 347 +CD1_GB1_12 N_GB1_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 344 +CD1_GB1_12 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 347 CD1_GB1_12 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 348 -CD1_GB1_12 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 349 -CD1_GB1_12 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 354 +CD1_GB1_12 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 349 +CD1_GB1_12 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 354 CD1_GB1_12 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 355 CD1_GB1_12 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 356 -CD1_GB1_12 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 357 +CD1_GB1_12 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 357 CD1_GB1_12 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 358 -CD1_GB1_12 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 359 -CD1_GB1_12 NE1_GB1_43 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 366 -CD1_GB1_12 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 372 +CD1_GB1_12 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 359 +CD1_GB1_12 NE1_GB1_43 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 366 +CD1_GB1_12 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 372 CD1_GB1_12 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 373 -CD1_GB1_12 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 374 -CD1_GB1_12 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 378 -CD1_GB1_12 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 380 +CD1_GB1_12 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 374 +CD1_GB1_12 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 378 +CD1_GB1_12 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 380 CD1_GB1_12 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 381 -CD1_GB1_12 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 382 -CD1_GB1_12 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 392 -CD1_GB1_12 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 393 +CD1_GB1_12 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 382 +CD1_GB1_12 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 392 +CD1_GB1_12 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 393 CD1_GB1_12 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 394 -CD1_GB1_12 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 395 -CD1_GB1_12 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 399 +CD1_GB1_12 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 395 +CD1_GB1_12 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 399 CD1_GB1_12 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 400 CD1_GB1_12 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 401 -CD1_GB1_12 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 402 +CD1_GB1_12 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 402 CD1_GB1_12 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 403 -CD1_GB1_12 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 404 -CD1_GB1_12 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 408 +CD1_GB1_12 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 404 +CD1_GB1_12 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 408 CD1_GB1_12 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 409 CD1_GB1_12 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 410 -CD1_GB1_12 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 411 +CD1_GB1_12 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 411 CD1_GB1_12 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 412 -CD1_GB1_12 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 413 -CD1_GB1_12 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 417 +CD1_GB1_12 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 413 +CD1_GB1_12 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 417 CD1_GB1_12 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 418 -CD1_GB1_12 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 419 -CD1_GB1_12 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 423 -CD1_GB1_12 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 425 +CD1_GB1_12 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 419 +CD1_GB1_12 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 423 +CD1_GB1_12 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 425 CD1_GB1_12 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 426 -CD1_GB1_12 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 427 -CD1_GB1_12 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 434 -CD1_GB1_12 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 435 +CD1_GB1_12 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 427 +CD1_GB1_12 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 434 +CD1_GB1_12 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 435 CD1_GB1_12 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 436 -CD1_GB1_12 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 437 -CD1_GB1_12 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 441 -CD1_GB1_12 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 443 +CD1_GB1_12 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 437 +CD1_GB1_12 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 441 +CD1_GB1_12 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 443 CD1_GB1_12 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 444 -CD1_GB1_12 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 445 -CD1_GB1_12 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 455 +CD1_GB1_12 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 445 +CD1_GB1_12 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 455 CD1_GB1_12 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 456 -CD1_GB1_12 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 457 -CD1_GB1_12 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 461 -CD1_GB1_12 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 463 +CD1_GB1_12 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 457 +CD1_GB1_12 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 461 +CD1_GB1_12 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 463 CD1_GB1_12 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 464 -CD1_GB1_12 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 465 -CD1_GB1_12 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 471 +CD1_GB1_12 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 465 +CD1_GB1_12 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 471 CD1_GB1_12 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 472 -CD1_GB1_12 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 473 -CD1_GB1_12 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 477 -CD1_GB1_12 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 479 +CD1_GB1_12 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 473 +CD1_GB1_12 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 477 +CD1_GB1_12 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 479 CD1_GB1_12 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 480 -CD1_GB1_12 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 481 -CD1_GB1_12 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 486 +CD1_GB1_12 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 481 +CD1_GB1_12 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 486 CD1_GB1_12 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 487 CD1_GB1_12 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 488 -CD1_GB1_12 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 489 +CD1_GB1_12 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 489 CD1_GB1_12 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 490 CD1_GB1_12 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 104 491 -CD2_GB1_12 C_GB1_12 1 0.000000e+00 4.709112e-06 ; 3.205580e-01 -4.709112e-06 9.999266e-01 9.963287e-01 0.004395 0.001132 True md_ensemble 4 105 106 +CD2_GB1_12 C_GB1_12 1 0.000000e+00 4.709050e-06 ; 3.205576e-01 -4.709050e-06 9.999266e-01 9.963287e-01 0.004395 0.001132 True md_ensemble 4 105 106 CD2_GB1_12 O_GB1_12 1 0.000000e+00 1.242924e-06 ; 2.868790e-01 -1.242924e-06 4.306957e-01 2.571123e-01 0.004395 0.001132 True md_ensemble 5 105 107 -CD2_GB1_12 N_GB1_13 1 0.000000e+00 2.330542e-06 ; 3.023081e-01 -2.330542e-06 5.495000e-01 3.991555e-01 0.004395 0.001132 True md_ensemble 5 105 108 -CD2_GB1_12 CA_GB1_13 1 0.000000e+00 1.542368e-05 ; 3.538702e-01 -1.542368e-05 5.488220e-01 1.985709e-01 0.004395 0.001132 True md_ensemble 6 105 110 +CD2_GB1_12 N_GB1_13 1 0.000000e+00 2.330520e-06 ; 3.023078e-01 -2.330520e-06 5.495000e-01 3.991555e-01 0.004395 0.001132 True md_ensemble 5 105 108 +CD2_GB1_12 CA_GB1_13 1 0.000000e+00 1.542367e-05 ; 3.538702e-01 -1.542367e-05 5.488220e-01 1.985709e-01 0.004395 0.001132 True md_ensemble 6 105 110 CD2_GB1_12 CB_GB1_13 1 6.173538e-03 8.527330e-05 ; 4.898313e-01 1.117365e-01 1.646251e-02 2.026802e-02 0.004395 0.012151 True md_ensemble 7 105 111 -CD2_GB1_12 NZ_GB1_13 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 115 +CD2_GB1_12 NZ_GB1_13 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 115 CD2_GB1_12 C_GB1_13 1 1.332135e-03 3.040649e-06 ; 3.628577e-01 1.459050e-01 2.249045e-01 1.329761e-02 0.004395 0.001132 True md_ensemble 7 105 116 CD2_GB1_12 O_GB1_13 1 1.162507e-03 1.396424e-06 ; 3.260395e-01 2.419435e-01 1.565214e-01 9.993012e-03 0.004395 0.007862 True md_ensemble 7 105 117 -CD2_GB1_12 N_GB1_14 1 0.000000e+00 2.422337e-06 ; 3.032829e-01 -2.422337e-06 1.587976e-01 4.191903e-02 0.004395 0.001132 True md_ensemble 7 105 118 +CD2_GB1_12 N_GB1_14 1 0.000000e+00 2.422314e-06 ; 3.032826e-01 -2.422314e-06 1.587976e-01 4.191903e-02 0.004395 0.001132 True md_ensemble 7 105 118 CD2_GB1_12 CA_GB1_14 1 2.916079e-03 1.044881e-05 ; 3.911812e-01 2.034566e-01 2.575601e-01 5.359160e-02 0.004395 0.012151 True md_ensemble 7 105 120 -CD2_GB1_12 C_GB1_14 1 0.000000e+00 4.715684e-06 ; 3.205952e-01 -4.715684e-06 1.900521e-02 1.679798e-02 0.004395 0.001132 True md_ensemble 7 105 121 +CD2_GB1_12 C_GB1_14 1 0.000000e+00 4.715622e-06 ; 3.205949e-01 -4.715622e-06 1.900521e-02 1.679798e-02 0.004395 0.001132 True md_ensemble 7 105 121 CD2_GB1_12 O_GB1_14 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 122 -CD2_GB1_12 N_GB1_15 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 123 -CD2_GB1_12 CD_GB1_15 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 128 +CD2_GB1_12 N_GB1_15 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 123 +CD2_GB1_12 CD_GB1_15 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 128 CD2_GB1_12 OE1_GB1_15 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 129 CD2_GB1_12 OE2_GB1_15 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 130 -CD2_GB1_12 C_GB1_15 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 131 +CD2_GB1_12 C_GB1_15 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 131 CD2_GB1_12 O_GB1_15 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 132 -CD2_GB1_12 N_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 133 -CD2_GB1_12 OG1_GB1_16 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 137 -CD2_GB1_12 C_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 139 +CD2_GB1_12 N_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 133 +CD2_GB1_12 OG1_GB1_16 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 137 +CD2_GB1_12 C_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 139 CD2_GB1_12 O_GB1_16 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 140 -CD2_GB1_12 N_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 141 -CD2_GB1_12 OG1_GB1_17 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 145 -CD2_GB1_12 C_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 147 +CD2_GB1_12 N_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 141 +CD2_GB1_12 OG1_GB1_17 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 145 +CD2_GB1_12 C_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 147 CD2_GB1_12 O_GB1_17 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 148 -CD2_GB1_12 N_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 149 -CD2_GB1_12 OG1_GB1_18 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 153 -CD2_GB1_12 C_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 155 +CD2_GB1_12 N_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 149 +CD2_GB1_12 OG1_GB1_18 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 153 +CD2_GB1_12 C_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 155 CD2_GB1_12 O_GB1_18 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 156 -CD2_GB1_12 N_GB1_19 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 157 -CD2_GB1_12 CD_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 162 +CD2_GB1_12 N_GB1_19 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 157 +CD2_GB1_12 CD_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 162 CD2_GB1_12 OE1_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 163 CD2_GB1_12 OE2_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 164 -CD2_GB1_12 C_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 165 +CD2_GB1_12 C_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 165 CD2_GB1_12 O_GB1_19 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 166 -CD2_GB1_12 N_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 167 -CD2_GB1_12 C_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 171 +CD2_GB1_12 N_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 167 +CD2_GB1_12 C_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 171 CD2_GB1_12 O_GB1_20 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 172 -CD2_GB1_12 N_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 173 -CD2_GB1_12 C_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 179 +CD2_GB1_12 N_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 173 +CD2_GB1_12 C_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 179 CD2_GB1_12 O_GB1_21 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 180 -CD2_GB1_12 N_GB1_22 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 181 -CD2_GB1_12 CG_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 185 +CD2_GB1_12 N_GB1_22 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 181 +CD2_GB1_12 CG_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 185 CD2_GB1_12 OD1_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 186 CD2_GB1_12 OD2_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 187 -CD2_GB1_12 C_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 188 +CD2_GB1_12 C_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 188 CD2_GB1_12 O_GB1_22 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 189 -CD2_GB1_12 N_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 190 -CD2_GB1_12 C_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 194 +CD2_GB1_12 N_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 190 +CD2_GB1_12 C_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 194 CD2_GB1_12 O_GB1_23 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 195 -CD2_GB1_12 N_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 196 -CD2_GB1_12 C_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 200 +CD2_GB1_12 N_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 196 +CD2_GB1_12 C_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 200 CD2_GB1_12 O_GB1_24 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 201 -CD2_GB1_12 N_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 202 -CD2_GB1_12 OG1_GB1_25 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 206 -CD2_GB1_12 C_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 208 +CD2_GB1_12 N_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 202 +CD2_GB1_12 OG1_GB1_25 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 206 +CD2_GB1_12 C_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 208 CD2_GB1_12 O_GB1_25 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 209 -CD2_GB1_12 N_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 210 -CD2_GB1_12 C_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 214 +CD2_GB1_12 N_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 210 +CD2_GB1_12 C_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 214 CD2_GB1_12 O_GB1_26 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 215 -CD2_GB1_12 N_GB1_27 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 216 -CD2_GB1_12 CD_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 221 +CD2_GB1_12 N_GB1_27 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 216 +CD2_GB1_12 CD_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 221 CD2_GB1_12 OE1_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 222 CD2_GB1_12 OE2_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 223 -CD2_GB1_12 C_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 224 +CD2_GB1_12 C_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 224 CD2_GB1_12 O_GB1_27 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 225 -CD2_GB1_12 N_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 226 -CD2_GB1_12 NZ_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 233 -CD2_GB1_12 C_GB1_28 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 234 +CD2_GB1_12 N_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 226 +CD2_GB1_12 NZ_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 233 +CD2_GB1_12 C_GB1_28 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 234 CD2_GB1_12 O_GB1_28 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 235 -CD2_GB1_12 N_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 236 -CD2_GB1_12 C_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 242 +CD2_GB1_12 N_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 236 +CD2_GB1_12 C_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 242 CD2_GB1_12 O_GB1_29 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 243 -CD2_GB1_12 N_GB1_30 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 244 -CD2_GB1_12 C_GB1_30 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 254 +CD2_GB1_12 N_GB1_30 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 244 +CD2_GB1_12 C_GB1_30 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 254 CD2_GB1_12 O_GB1_30 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 255 -CD2_GB1_12 N_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 256 -CD2_GB1_12 NZ_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 263 -CD2_GB1_12 C_GB1_31 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 264 +CD2_GB1_12 N_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 256 +CD2_GB1_12 NZ_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 263 +CD2_GB1_12 C_GB1_31 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 264 CD2_GB1_12 O_GB1_31 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 265 -CD2_GB1_12 N_GB1_32 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 266 -CD2_GB1_12 CD_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 271 +CD2_GB1_12 N_GB1_32 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 266 +CD2_GB1_12 CD_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 271 CD2_GB1_12 OE1_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 272 -CD2_GB1_12 NE2_GB1_32 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 273 -CD2_GB1_12 C_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 274 +CD2_GB1_12 NE2_GB1_32 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 273 +CD2_GB1_12 C_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 274 CD2_GB1_12 O_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 275 -CD2_GB1_12 N_GB1_33 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 276 +CD2_GB1_12 N_GB1_33 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 276 CD2_GB1_12 CA_GB1_33 1 5.629180e-03 6.727417e-05 ; 4.781534e-01 1.177557e-01 1.109106e-02 7.347112e-04 0.004395 0.010759 True md_ensemble 7 105 278 CD2_GB1_12 CB_GB1_33 1 3.010086e-03 2.769328e-05 ; 4.577545e-01 8.179437e-02 5.523975e-03 1.108667e-03 0.004395 0.012151 True md_ensemble 7 105 279 CD2_GB1_12 CG_GB1_33 1 2.677641e-03 1.238299e-05 ; 4.081742e-01 1.447503e-01 1.871599e-02 8.928500e-04 0.004395 0.020719 True md_ensemble 7 105 280 @@ -17655,24 +17655,24 @@ CD2_GB1_12 CZ_GB1_33 1 2.310310e-03 4.798047e-06 ; 3.571898e-01 2.781095e- CD2_GB1_12 OH_GB1_33 1 1.112505e-03 1.118826e-06 ; 3.165265e-01 2.765550e-01 2.408474e-01 6.285703e-04 0.004395 0.001132 True md_ensemble 7 105 286 CD2_GB1_12 C_GB1_33 1 2.281648e-03 9.774899e-06 ; 4.030052e-01 1.331450e-01 1.494584e-02 3.142243e-04 0.004395 0.001132 True md_ensemble 7 105 287 CD2_GB1_12 O_GB1_33 1 5.502329e-04 4.784547e-07 ; 3.089459e-01 1.581948e-01 2.428784e-02 4.207645e-04 0.004395 0.007862 True md_ensemble 7 105 288 -CD2_GB1_12 N_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 289 +CD2_GB1_12 N_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 289 CD2_GB1_12 CA_GB1_34 1 4.788040e-03 2.891545e-05 ; 4.267387e-01 1.982100e-01 5.275161e-02 6.549805e-04 0.004395 0.010759 True md_ensemble 7 105 291 CD2_GB1_12 CB_GB1_34 1 2.066470e-03 1.208170e-05 ; 4.244402e-01 8.836292e-02 6.274015e-03 6.000317e-04 0.004395 0.020717 True md_ensemble 7 105 292 -CD2_GB1_12 C_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 293 +CD2_GB1_12 C_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 293 CD2_GB1_12 O_GB1_34 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 294 -CD2_GB1_12 N_GB1_35 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 295 -CD2_GB1_12 CG_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 299 +CD2_GB1_12 N_GB1_35 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 295 +CD2_GB1_12 CG_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 299 CD2_GB1_12 OD1_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 300 -CD2_GB1_12 ND2_GB1_35 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 301 -CD2_GB1_12 C_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 302 +CD2_GB1_12 ND2_GB1_35 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 301 +CD2_GB1_12 C_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 302 CD2_GB1_12 O_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 303 -CD2_GB1_12 N_GB1_36 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 304 -CD2_GB1_12 CG_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 308 +CD2_GB1_12 N_GB1_36 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 304 +CD2_GB1_12 CG_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 308 CD2_GB1_12 OD1_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 309 CD2_GB1_12 OD2_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 310 -CD2_GB1_12 C_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 311 +CD2_GB1_12 C_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 311 CD2_GB1_12 O_GB1_36 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 312 -CD2_GB1_12 N_GB1_37 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 313 +CD2_GB1_12 N_GB1_37 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 313 CD2_GB1_12 CA_GB1_37 1 7.835487e-03 4.652355e-05 ; 4.255342e-01 3.299128e-01 6.774954e-01 3.889237e-04 0.004395 0.010759 True md_ensemble 7 105 315 CD2_GB1_12 CB_GB1_37 1 2.118586e-03 3.321201e-06 ; 3.408329e-01 3.378602e-01 7.903280e-01 3.727612e-04 0.004395 0.012151 True md_ensemble 7 105 316 CD2_GB1_12 CG_GB1_37 1 1.790329e-03 2.408833e-06 ; 3.322607e-01 3.326590e-01 7.145358e-01 5.194674e-04 0.004395 0.001132 True md_ensemble 7 105 317 @@ -17680,187 +17680,187 @@ CD2_GB1_12 OD1_GB1_37 1 1.027106e-03 7.969716e-07 ; 3.031363e-01 3.309233e- CD2_GB1_12 ND2_GB1_37 1 1.687185e-03 2.330499e-06 ; 3.337191e-01 3.053630e-01 4.209661e-01 6.487802e-04 0.004395 0.001132 True md_ensemble 7 105 319 CD2_GB1_12 C_GB1_37 1 4.219571e-03 1.654711e-05 ; 3.971083e-01 2.690014e-01 2.080443e-01 3.000242e-04 0.004395 0.001132 True md_ensemble 7 105 320 CD2_GB1_12 O_GB1_37 1 9.458046e-04 7.998201e-07 ; 3.075142e-01 2.796086e-01 2.555330e-01 2.978624e-04 0.004395 0.007862 True md_ensemble 7 105 321 -CD2_GB1_12 N_GB1_38 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 322 +CD2_GB1_12 N_GB1_38 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 322 CD2_GB1_12 CA_GB1_38 1 3.283947e-03 3.476219e-05 ; 4.685815e-01 7.755772e-02 5.088475e-03 7.999023e-04 0.004395 0.012151 True md_ensemble 7 105 324 -CD2_GB1_12 C_GB1_38 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 325 +CD2_GB1_12 C_GB1_38 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 325 CD2_GB1_12 O_GB1_38 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 326 -CD2_GB1_12 N_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 327 +CD2_GB1_12 N_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 327 CD2_GB1_12 CA_GB1_39 1 8.107058e-03 9.490383e-05 ; 4.765079e-01 1.731342e-01 3.244501e-02 3.005159e-04 0.004395 0.010759 True md_ensemble 7 105 329 CD2_GB1_12 CB_GB1_39 1 9.582778e-03 8.318032e-05 ; 4.533374e-01 2.759957e-01 2.382503e-01 4.997674e-04 0.004395 0.010759 True md_ensemble 7 105 330 CD2_GB1_12 CG1_GB1_39 1 1.612386e-03 4.017208e-06 ; 3.681933e-01 1.617908e-01 2.604112e-02 6.675962e-04 0.004395 0.020717 True md_ensemble 7 105 331 CD2_GB1_12 CG2_GB1_39 1 2.277710e-03 4.208264e-06 ; 3.502951e-01 3.082007e-01 4.447694e-01 2.000750e-04 0.004395 0.020717 True md_ensemble 7 105 332 -CD2_GB1_12 C_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 333 +CD2_GB1_12 C_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 333 CD2_GB1_12 O_GB1_39 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 334 -CD2_GB1_12 N_GB1_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 335 -CD2_GB1_12 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 339 +CD2_GB1_12 N_GB1_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 335 +CD2_GB1_12 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 339 CD2_GB1_12 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 340 CD2_GB1_12 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 341 -CD2_GB1_12 C_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 342 +CD2_GB1_12 C_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 342 CD2_GB1_12 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 343 -CD2_GB1_12 N_GB1_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 344 -CD2_GB1_12 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 347 +CD2_GB1_12 N_GB1_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 344 +CD2_GB1_12 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 347 CD2_GB1_12 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 348 -CD2_GB1_12 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 349 -CD2_GB1_12 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 354 +CD2_GB1_12 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 349 +CD2_GB1_12 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 354 CD2_GB1_12 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 355 CD2_GB1_12 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 356 -CD2_GB1_12 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 357 +CD2_GB1_12 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 357 CD2_GB1_12 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 358 -CD2_GB1_12 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 359 -CD2_GB1_12 NE1_GB1_43 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 366 -CD2_GB1_12 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 372 +CD2_GB1_12 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 359 +CD2_GB1_12 NE1_GB1_43 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 366 +CD2_GB1_12 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 372 CD2_GB1_12 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 373 -CD2_GB1_12 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 374 -CD2_GB1_12 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 378 -CD2_GB1_12 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 380 +CD2_GB1_12 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 374 +CD2_GB1_12 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 378 +CD2_GB1_12 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 380 CD2_GB1_12 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 381 -CD2_GB1_12 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 382 -CD2_GB1_12 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 392 -CD2_GB1_12 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 393 +CD2_GB1_12 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 382 +CD2_GB1_12 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 392 +CD2_GB1_12 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 393 CD2_GB1_12 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 394 -CD2_GB1_12 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 395 -CD2_GB1_12 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 399 +CD2_GB1_12 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 395 +CD2_GB1_12 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 399 CD2_GB1_12 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 400 CD2_GB1_12 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 401 -CD2_GB1_12 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 402 +CD2_GB1_12 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 402 CD2_GB1_12 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 403 -CD2_GB1_12 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 404 -CD2_GB1_12 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 408 +CD2_GB1_12 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 404 +CD2_GB1_12 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 408 CD2_GB1_12 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 409 CD2_GB1_12 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 410 -CD2_GB1_12 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 411 +CD2_GB1_12 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 411 CD2_GB1_12 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 412 -CD2_GB1_12 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 413 -CD2_GB1_12 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 417 +CD2_GB1_12 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 413 +CD2_GB1_12 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 417 CD2_GB1_12 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 418 -CD2_GB1_12 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 419 -CD2_GB1_12 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 423 -CD2_GB1_12 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 425 +CD2_GB1_12 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 419 +CD2_GB1_12 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 423 +CD2_GB1_12 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 425 CD2_GB1_12 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 426 -CD2_GB1_12 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 427 -CD2_GB1_12 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 434 -CD2_GB1_12 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 435 +CD2_GB1_12 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 427 +CD2_GB1_12 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 434 +CD2_GB1_12 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 435 CD2_GB1_12 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 436 -CD2_GB1_12 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 437 -CD2_GB1_12 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 441 -CD2_GB1_12 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 443 +CD2_GB1_12 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 437 +CD2_GB1_12 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 441 +CD2_GB1_12 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 443 CD2_GB1_12 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 444 -CD2_GB1_12 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 445 -CD2_GB1_12 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 455 +CD2_GB1_12 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 445 +CD2_GB1_12 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 455 CD2_GB1_12 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 456 -CD2_GB1_12 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 457 -CD2_GB1_12 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 461 -CD2_GB1_12 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 463 +CD2_GB1_12 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 457 +CD2_GB1_12 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 461 +CD2_GB1_12 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 463 CD2_GB1_12 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 464 -CD2_GB1_12 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 465 -CD2_GB1_12 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 471 +CD2_GB1_12 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 465 +CD2_GB1_12 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 471 CD2_GB1_12 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 472 -CD2_GB1_12 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 473 -CD2_GB1_12 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 477 -CD2_GB1_12 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 479 +CD2_GB1_12 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 473 +CD2_GB1_12 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 477 +CD2_GB1_12 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 479 CD2_GB1_12 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 480 -CD2_GB1_12 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 481 -CD2_GB1_12 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 486 +CD2_GB1_12 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 481 +CD2_GB1_12 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 486 CD2_GB1_12 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 487 CD2_GB1_12 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 488 -CD2_GB1_12 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 489 +CD2_GB1_12 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 489 CD2_GB1_12 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 490 CD2_GB1_12 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 105 491 - C_GB1_12 CB_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 111 - C_GB1_12 CG_GB1_13 1 0.000000e+00 6.329873e-06 ; 3.285574e-01 -6.329873e-06 9.999862e-01 9.993408e-01 0.004395 0.001132 True md_ensemble 4 106 112 - C_GB1_12 CD_GB1_13 1 0.000000e+00 5.181958e-06 ; 3.231242e-01 -5.181958e-06 5.948336e-01 4.129564e-01 0.004395 0.001132 True md_ensemble 5 106 113 - C_GB1_12 CE_GB1_13 1 0.000000e+00 6.020679e-06 ; 3.271891e-01 -6.020679e-06 1.353531e-01 8.589240e-02 0.004395 0.001132 True md_ensemble 6 106 114 + C_GB1_12 CB_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 111 + C_GB1_12 CG_GB1_13 1 0.000000e+00 6.329767e-06 ; 3.285569e-01 -6.329767e-06 9.999862e-01 9.993408e-01 0.004395 0.001132 True md_ensemble 4 106 112 + C_GB1_12 CD_GB1_13 1 0.000000e+00 5.181871e-06 ; 3.231238e-01 -5.181871e-06 5.948336e-01 4.129564e-01 0.004395 0.001132 True md_ensemble 5 106 113 + C_GB1_12 CE_GB1_13 1 0.000000e+00 6.020578e-06 ; 3.271886e-01 -6.020578e-06 1.353531e-01 8.589240e-02 0.004395 0.001132 True md_ensemble 6 106 114 C_GB1_12 NZ_GB1_13 1 8.870538e-04 2.240625e-06 ; 3.690370e-01 8.779518e-02 9.043970e-03 1.688288e-02 0.004395 0.011584 True md_ensemble 7 106 115 - C_GB1_12 O_GB1_13 1 0.000000e+00 7.365389e-07 ; 2.746384e-01 -7.365389e-07 9.281403e-01 8.188172e-01 0.004395 0.001132 True md_ensemble 4 106 117 - C_GB1_12 N_GB1_14 1 0.000000e+00 1.535438e-06 ; 2.919764e-01 -1.535438e-06 9.598313e-01 9.779256e-01 0.004395 0.001132 True md_ensemble 4 106 118 - C_GB1_12 CA_GB1_14 1 0.000000e+00 8.604843e-06 ; 3.370727e-01 -8.604843e-06 3.950557e-01 7.535805e-01 0.004395 0.001132 True md_ensemble 5 106 120 + C_GB1_12 O_GB1_13 1 0.000000e+00 7.365355e-07 ; 2.746383e-01 -7.365355e-07 9.281403e-01 8.188172e-01 0.004395 0.001132 True md_ensemble 4 106 117 + C_GB1_12 N_GB1_14 1 0.000000e+00 1.535416e-06 ; 2.919760e-01 -1.535416e-06 9.598313e-01 9.779256e-01 0.004395 0.001132 True md_ensemble 4 106 118 + C_GB1_12 CA_GB1_14 1 0.000000e+00 8.604699e-06 ; 3.370722e-01 -8.604699e-06 3.950557e-01 7.535805e-01 0.004395 0.001132 True md_ensemble 5 106 120 C_GB1_12 C_GB1_14 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 0.000000e+00 1.005976e-01 0.004395 0.001132 True md_ensemble 6 106 121 - C_GB1_12 CB_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 126 - C_GB1_12 CG_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 127 - C_GB1_12 CB_GB1_16 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 136 - C_GB1_12 CG2_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 138 - C_GB1_12 CB_GB1_17 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 144 - C_GB1_12 CG2_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 146 - C_GB1_12 CB_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 152 - C_GB1_12 CG2_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 154 - C_GB1_12 CB_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 160 - C_GB1_12 CG_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 161 - C_GB1_12 CB_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 170 - C_GB1_12 CB_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 176 - C_GB1_12 CG1_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 177 - C_GB1_12 CG2_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 178 - C_GB1_12 CB_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 184 - C_GB1_12 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 193 - C_GB1_12 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 199 - C_GB1_12 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 205 - C_GB1_12 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 207 - C_GB1_12 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 213 - C_GB1_12 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 219 - C_GB1_12 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 220 - C_GB1_12 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 229 - C_GB1_12 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 230 - C_GB1_12 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 231 - C_GB1_12 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 232 - C_GB1_12 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 239 - C_GB1_12 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 240 - C_GB1_12 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 241 - C_GB1_12 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 247 - C_GB1_12 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 259 - C_GB1_12 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 260 - C_GB1_12 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 261 - C_GB1_12 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 262 - C_GB1_12 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 269 - C_GB1_12 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 270 - C_GB1_12 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 279 - C_GB1_12 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 292 - C_GB1_12 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 298 - C_GB1_12 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 307 + C_GB1_12 CB_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 126 + C_GB1_12 CG_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 127 + C_GB1_12 CB_GB1_16 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 136 + C_GB1_12 CG2_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 138 + C_GB1_12 CB_GB1_17 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 144 + C_GB1_12 CG2_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 146 + C_GB1_12 CB_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 152 + C_GB1_12 CG2_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 154 + C_GB1_12 CB_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 160 + C_GB1_12 CG_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 161 + C_GB1_12 CB_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 170 + C_GB1_12 CB_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 176 + C_GB1_12 CG1_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 177 + C_GB1_12 CG2_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 178 + C_GB1_12 CB_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 184 + C_GB1_12 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 193 + C_GB1_12 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 199 + C_GB1_12 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 205 + C_GB1_12 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 207 + C_GB1_12 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 213 + C_GB1_12 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 219 + C_GB1_12 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 220 + C_GB1_12 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 229 + C_GB1_12 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 230 + C_GB1_12 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 231 + C_GB1_12 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 232 + C_GB1_12 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 239 + C_GB1_12 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 240 + C_GB1_12 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 241 + C_GB1_12 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 247 + C_GB1_12 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 259 + C_GB1_12 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 260 + C_GB1_12 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 261 + C_GB1_12 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 262 + C_GB1_12 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 269 + C_GB1_12 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 270 + C_GB1_12 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 279 + C_GB1_12 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 292 + C_GB1_12 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 298 + C_GB1_12 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 307 C_GB1_12 CB_GB1_37 1 3.144710e-03 1.948826e-05 ; 4.285802e-01 1.268610e-01 1.323187e-02 1.997914e-04 0.004395 0.001132 True md_ensemble 7 106 316 - C_GB1_12 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 324 + C_GB1_12 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 324 C_GB1_12 CB_GB1_39 1 6.155134e-03 8.926119e-05 ; 4.938225e-01 1.061090e-01 8.849767e-03 2.001082e-04 0.004395 0.001132 True md_ensemble 7 106 330 - C_GB1_12 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 331 + C_GB1_12 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 331 C_GB1_12 CG2_GB1_39 1 5.929177e-03 3.142644e-05 ; 4.175580e-01 2.796621e-01 2.557980e-01 2.543311e-05 0.004395 0.001132 True md_ensemble 7 106 332 - C_GB1_12 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 338 - C_GB1_12 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 346 - C_GB1_12 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 352 - C_GB1_12 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 353 - C_GB1_12 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 362 - C_GB1_12 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 377 - C_GB1_12 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 379 - C_GB1_12 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 385 - C_GB1_12 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 398 - C_GB1_12 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 407 - C_GB1_12 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 416 - C_GB1_12 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 422 - C_GB1_12 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 424 - C_GB1_12 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 430 - C_GB1_12 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 431 - C_GB1_12 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 432 - C_GB1_12 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 433 - C_GB1_12 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 440 - C_GB1_12 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 442 - C_GB1_12 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 448 - C_GB1_12 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 460 - C_GB1_12 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 462 - C_GB1_12 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 468 - C_GB1_12 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 469 - C_GB1_12 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 470 - C_GB1_12 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 476 - C_GB1_12 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 478 - C_GB1_12 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 484 - C_GB1_12 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 485 + C_GB1_12 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 338 + C_GB1_12 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 346 + C_GB1_12 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 352 + C_GB1_12 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 353 + C_GB1_12 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 362 + C_GB1_12 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 377 + C_GB1_12 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 379 + C_GB1_12 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 385 + C_GB1_12 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 398 + C_GB1_12 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 407 + C_GB1_12 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 416 + C_GB1_12 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 422 + C_GB1_12 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 424 + C_GB1_12 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 430 + C_GB1_12 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 431 + C_GB1_12 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 432 + C_GB1_12 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 433 + C_GB1_12 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 440 + C_GB1_12 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 442 + C_GB1_12 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 448 + C_GB1_12 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 460 + C_GB1_12 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 462 + C_GB1_12 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 468 + C_GB1_12 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 469 + C_GB1_12 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 470 + C_GB1_12 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 476 + C_GB1_12 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 478 + C_GB1_12 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 484 + C_GB1_12 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 106 485 O_GB1_12 O_GB1_12 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 107 107 O_GB1_12 H_GB1_13 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 107 109 - O_GB1_12 CB_GB1_13 1 0.000000e+00 2.015619e-06 ; 2.986728e-01 -2.015619e-06 1.000000e+00 9.999814e-01 0.004395 0.001132 True md_ensemble 4 107 111 - O_GB1_12 CG_GB1_13 1 0.000000e+00 1.740310e-06 ; 2.950398e-01 -1.740310e-06 7.850082e-01 6.484046e-01 0.004395 0.001132 True md_ensemble 5 107 112 - O_GB1_12 CD_GB1_13 1 0.000000e+00 1.879866e-06 ; 2.969424e-01 -1.879866e-06 2.039122e-01 1.365444e-01 0.004395 0.001132 True md_ensemble 6 107 113 + O_GB1_12 CB_GB1_13 1 0.000000e+00 2.015611e-06 ; 2.986727e-01 -2.015611e-06 1.000000e+00 9.999814e-01 0.004395 0.001132 True md_ensemble 4 107 111 + O_GB1_12 CG_GB1_13 1 0.000000e+00 1.740304e-06 ; 2.950397e-01 -1.740304e-06 7.850082e-01 6.484046e-01 0.004395 0.001132 True md_ensemble 5 107 112 + O_GB1_12 CD_GB1_13 1 0.000000e+00 1.879859e-06 ; 2.969423e-01 -1.879859e-06 2.039122e-01 1.365444e-01 0.004395 0.001132 True md_ensemble 6 107 113 O_GB1_12 CE_GB1_13 1 8.222779e-04 1.333998e-06 ; 3.427858e-01 1.267133e-01 5.757218e-02 3.430371e-02 0.004395 0.007862 True md_ensemble 7 107 114 O_GB1_12 NZ_GB1_13 1 1.636329e-04 7.458648e-08 ; 2.774161e-01 8.974720e-02 6.444637e-03 7.863483e-03 0.004395 0.011584 True md_ensemble 7 107 115 - O_GB1_12 C_GB1_13 1 0.000000e+00 8.220555e-07 ; 2.771640e-01 -8.220555e-07 9.999722e-01 9.940621e-01 0.004395 0.001132 True md_ensemble 4 107 116 + O_GB1_12 C_GB1_13 1 0.000000e+00 8.220517e-07 ; 2.771639e-01 -8.220517e-07 9.999722e-01 9.940621e-01 0.004395 0.001132 True md_ensemble 4 107 116 O_GB1_12 O_GB1_13 1 0.000000e+00 1.766140e-06 ; 2.954022e-01 -1.766140e-06 6.371508e-01 8.145776e-01 0.004395 0.001132 True md_ensemble 5 107 117 O_GB1_12 N_GB1_14 1 0.000000e+00 1.575754e-06 ; 2.926077e-01 -1.575754e-06 8.459108e-01 8.964132e-01 0.004395 0.001132 True md_ensemble 5 107 118 - O_GB1_12 H_GB1_14 1 0.000000e+00 1.731492e-08 ; 2.009232e-01 -1.731492e-08 8.375899e-02 1.996845e-01 0.004395 0.001132 True md_ensemble 6 107 119 - O_GB1_12 CA_GB1_14 1 0.000000e+00 2.648575e-06 ; 3.055479e-01 -2.648575e-06 6.262930e-02 3.766307e-01 0.004395 0.001132 True md_ensemble 6 107 120 + O_GB1_12 H_GB1_14 1 0.000000e+00 1.731520e-08 ; 2.009234e-01 -1.731520e-08 8.375899e-02 1.996845e-01 0.004395 0.001132 True md_ensemble 6 107 119 + O_GB1_12 CA_GB1_14 1 0.000000e+00 2.648565e-06 ; 3.055478e-01 -2.648565e-06 6.262930e-02 3.766307e-01 0.004395 0.001132 True md_ensemble 6 107 120 O_GB1_12 O_GB1_14 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 107 122 O_GB1_12 H_GB1_15 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 107 124 O_GB1_12 CB_GB1_15 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.411764e-01 0.004395 0.007862 True md_ensemble 7 107 126 @@ -18044,133 +18044,133 @@ CD2_GB1_12 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- O_GB1_12 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 107 488 O_GB1_12 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 107 490 O_GB1_12 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 107 491 - N_GB1_13 CB_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 111 - N_GB1_13 CG_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 112 - N_GB1_13 CD_GB1_13 1 0.000000e+00 3.716187e-06 ; 3.142943e-01 -3.716187e-06 9.496888e-01 9.605986e-01 0.004395 0.001132 True md_ensemble 4 108 113 - N_GB1_13 CE_GB1_13 1 0.000000e+00 4.127282e-06 ; 3.170543e-01 -4.127282e-06 1.755588e-01 2.982984e-01 0.004395 0.001132 True md_ensemble 5 108 114 + N_GB1_13 CB_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 111 + N_GB1_13 CG_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 112 + N_GB1_13 CD_GB1_13 1 0.000000e+00 3.716138e-06 ; 3.142939e-01 -3.716138e-06 9.496888e-01 9.605986e-01 0.004395 0.001132 True md_ensemble 4 108 113 + N_GB1_13 CE_GB1_13 1 0.000000e+00 4.127228e-06 ; 3.170540e-01 -4.127228e-06 1.755588e-01 2.982984e-01 0.004395 0.001132 True md_ensemble 5 108 114 N_GB1_13 NZ_GB1_13 1 0.000000e+00 8.752940e-07 ; 2.786171e-01 -8.752940e-07 4.229218e-03 2.906954e-02 0.004395 0.001132 True md_ensemble 6 108 115 - N_GB1_13 CA_GB1_14 1 0.000000e+00 3.615433e-06 ; 3.135752e-01 -3.615433e-06 9.956719e-01 9.791737e-01 0.004395 0.001132 True md_ensemble 4 108 120 + N_GB1_13 CA_GB1_14 1 0.000000e+00 3.615385e-06 ; 3.135748e-01 -3.615385e-06 9.956719e-01 9.791737e-01 0.004395 0.001132 True md_ensemble 4 108 120 N_GB1_13 C_GB1_14 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 1.138500e-05 5.879539e-02 0.004395 0.001132 True md_ensemble 5 108 121 N_GB1_13 O_GB1_14 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 2.990875e-04 8.920843e-02 0.004395 0.001132 True md_ensemble 6 108 122 N_GB1_13 N_GB1_15 1 0.000000e+00 8.752940e-07 ; 2.786171e-01 -8.752940e-07 0.000000e+00 8.980984e-02 0.004395 0.001132 True md_ensemble 6 108 123 - N_GB1_13 CB_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 126 - N_GB1_13 CG_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 127 + N_GB1_13 CB_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 126 + N_GB1_13 CG_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 127 N_GB1_13 N_GB1_16 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 3.443238e-04 0.004395 0.001132 True md_ensemble 7 108 133 - N_GB1_13 CB_GB1_16 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 136 - N_GB1_13 CG2_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 138 + N_GB1_13 CB_GB1_16 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 136 + N_GB1_13 CG2_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 138 N_GB1_13 N_GB1_17 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 108 141 - N_GB1_13 CB_GB1_17 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 144 - N_GB1_13 CG2_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 146 + N_GB1_13 CB_GB1_17 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 144 + N_GB1_13 CG2_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 146 N_GB1_13 N_GB1_18 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 108 149 - N_GB1_13 CB_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 152 - N_GB1_13 CG2_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 154 + N_GB1_13 CB_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 152 + N_GB1_13 CG2_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 154 N_GB1_13 N_GB1_19 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 108 157 - N_GB1_13 CB_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 160 - N_GB1_13 CG_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 161 + N_GB1_13 CB_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 160 + N_GB1_13 CG_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 161 N_GB1_13 N_GB1_20 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 108 167 - N_GB1_13 CB_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 170 + N_GB1_13 CB_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 170 N_GB1_13 N_GB1_21 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 108 173 - N_GB1_13 CB_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 176 - N_GB1_13 CG1_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 177 - N_GB1_13 CG2_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 178 + N_GB1_13 CB_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 176 + N_GB1_13 CG1_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 177 + N_GB1_13 CG2_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 178 N_GB1_13 N_GB1_22 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 108 181 - N_GB1_13 CB_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 184 + N_GB1_13 CB_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 184 N_GB1_13 N_GB1_23 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 108 190 - N_GB1_13 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 193 + N_GB1_13 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 193 N_GB1_13 N_GB1_24 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 108 196 - N_GB1_13 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 199 + N_GB1_13 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 199 N_GB1_13 N_GB1_25 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 108 202 - N_GB1_13 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 205 - N_GB1_13 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 207 + N_GB1_13 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 205 + N_GB1_13 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 207 N_GB1_13 N_GB1_26 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 108 210 - N_GB1_13 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 213 + N_GB1_13 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 213 N_GB1_13 N_GB1_27 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 108 216 - N_GB1_13 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 219 - N_GB1_13 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 220 + N_GB1_13 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 219 + N_GB1_13 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 220 N_GB1_13 N_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 108 226 - N_GB1_13 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 229 - N_GB1_13 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 230 - N_GB1_13 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 231 - N_GB1_13 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 232 + N_GB1_13 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 229 + N_GB1_13 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 230 + N_GB1_13 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 231 + N_GB1_13 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 232 N_GB1_13 NZ_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 108 233 N_GB1_13 N_GB1_29 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 108 236 - N_GB1_13 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 239 - N_GB1_13 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 240 - N_GB1_13 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 241 + N_GB1_13 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 239 + N_GB1_13 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 240 + N_GB1_13 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 241 N_GB1_13 N_GB1_30 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 108 244 - N_GB1_13 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 247 + N_GB1_13 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 247 N_GB1_13 N_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 108 256 - N_GB1_13 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 259 - N_GB1_13 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 260 - N_GB1_13 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 261 - N_GB1_13 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 262 + N_GB1_13 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 259 + N_GB1_13 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 260 + N_GB1_13 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 261 + N_GB1_13 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 262 N_GB1_13 NZ_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.149751e-04 0.004395 0.001132 True md_ensemble 7 108 263 N_GB1_13 N_GB1_32 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 108 266 - N_GB1_13 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 269 - N_GB1_13 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 270 + N_GB1_13 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 269 + N_GB1_13 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 270 N_GB1_13 N_GB1_33 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 108 276 - N_GB1_13 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 279 + N_GB1_13 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 279 N_GB1_13 N_GB1_34 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 108 289 - N_GB1_13 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 292 + N_GB1_13 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 292 N_GB1_13 N_GB1_35 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 108 295 - N_GB1_13 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 298 + N_GB1_13 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 298 N_GB1_13 N_GB1_36 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 108 304 - N_GB1_13 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 307 + N_GB1_13 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 307 N_GB1_13 N_GB1_37 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 108 313 - N_GB1_13 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 316 + N_GB1_13 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 316 N_GB1_13 N_GB1_38 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 108 322 - N_GB1_13 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 324 + N_GB1_13 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 324 N_GB1_13 N_GB1_39 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 108 327 - N_GB1_13 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 330 - N_GB1_13 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 331 - N_GB1_13 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 332 + N_GB1_13 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 330 + N_GB1_13 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 331 + N_GB1_13 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 332 N_GB1_13 N_GB1_40 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 108 335 - N_GB1_13 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 338 + N_GB1_13 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 338 N_GB1_13 N_GB1_41 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 108 344 - N_GB1_13 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 346 + N_GB1_13 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 346 N_GB1_13 N_GB1_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 108 349 - N_GB1_13 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 352 - N_GB1_13 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 353 + N_GB1_13 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 352 + N_GB1_13 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 353 N_GB1_13 N_GB1_43 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 108 359 - N_GB1_13 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 362 + N_GB1_13 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 362 N_GB1_13 N_GB1_44 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 108 374 - N_GB1_13 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 377 - N_GB1_13 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 379 + N_GB1_13 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 377 + N_GB1_13 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 379 N_GB1_13 N_GB1_45 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 108 382 - N_GB1_13 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 385 + N_GB1_13 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 385 N_GB1_13 N_GB1_46 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 108 395 - N_GB1_13 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 398 + N_GB1_13 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 398 N_GB1_13 N_GB1_47 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 108 404 - N_GB1_13 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 407 + N_GB1_13 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 407 N_GB1_13 N_GB1_48 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 108 413 - N_GB1_13 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 416 + N_GB1_13 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 416 N_GB1_13 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 108 419 - N_GB1_13 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 422 - N_GB1_13 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 424 + N_GB1_13 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 422 + N_GB1_13 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 424 N_GB1_13 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 108 427 - N_GB1_13 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 430 - N_GB1_13 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 431 - N_GB1_13 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 432 - N_GB1_13 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 433 + N_GB1_13 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 430 + N_GB1_13 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 431 + N_GB1_13 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 432 + N_GB1_13 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 433 N_GB1_13 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 108 434 N_GB1_13 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 108 437 - N_GB1_13 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 440 - N_GB1_13 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 442 + N_GB1_13 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 440 + N_GB1_13 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 442 N_GB1_13 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 108 445 - N_GB1_13 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 448 + N_GB1_13 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 448 N_GB1_13 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 108 457 - N_GB1_13 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 460 - N_GB1_13 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 462 + N_GB1_13 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 460 + N_GB1_13 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 462 N_GB1_13 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 108 465 - N_GB1_13 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 468 - N_GB1_13 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 469 - N_GB1_13 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 470 + N_GB1_13 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 468 + N_GB1_13 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 469 + N_GB1_13 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 470 N_GB1_13 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 108 473 - N_GB1_13 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 476 - N_GB1_13 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 478 + N_GB1_13 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 476 + N_GB1_13 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 478 N_GB1_13 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 108 481 - N_GB1_13 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 484 - N_GB1_13 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 485 + N_GB1_13 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 484 + N_GB1_13 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 108 485 H_GB1_13 H_GB1_13 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 109 109 H_GB1_13 O_GB1_13 1 9.850441e-06 3.296772e-10 ; 1.795170e-01 7.358045e-02 8.879141e-01 2.132910e-01 0.004395 0.001132 True md_ensemble 4 109 117 H_GB1_13 H_GB1_14 1 0.000000e+00 1.905619e-08 ; 2.025340e-01 -1.905619e-08 5.881120e-02 6.468267e-01 0.004395 0.001132 True md_ensemble 5 109 119 @@ -18294,987 +18294,987 @@ CD2_GB1_12 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- H_GB1_13 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 109 488 H_GB1_13 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 109 490 H_GB1_13 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 109 491 - CA_GB1_13 CE_GB1_13 1 0.000000e+00 3.181363e-05 ; 3.758773e-01 -3.181363e-05 1.000000e+00 9.999993e-01 0.004395 0.001132 True md_ensemble 4 110 114 - CA_GB1_13 NZ_GB1_13 1 0.000000e+00 8.789510e-06 ; 3.376697e-01 -8.789510e-06 3.069319e-01 4.672640e-01 0.004395 0.001132 True md_ensemble 5 110 115 - CA_GB1_13 C_GB1_14 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 110 121 - CA_GB1_13 O_GB1_14 1 0.000000e+00 1.457744e-06 ; 2.907157e-01 -1.457744e-06 9.232072e-01 2.741753e-01 0.004395 0.001132 True md_ensemble 5 110 122 - CA_GB1_13 N_GB1_15 1 0.000000e+00 1.311871e-05 ; 3.491290e-01 -1.311871e-05 5.328775e-03 7.371724e-01 0.004395 0.001132 True md_ensemble 5 110 123 + CA_GB1_13 CE_GB1_13 1 0.000000e+00 3.181350e-05 ; 3.758772e-01 -3.181350e-05 1.000000e+00 9.999993e-01 0.004395 0.001132 True md_ensemble 4 110 114 + CA_GB1_13 NZ_GB1_13 1 0.000000e+00 8.789496e-06 ; 3.376696e-01 -8.789496e-06 3.069319e-01 4.672640e-01 0.004395 0.001132 True md_ensemble 5 110 115 + CA_GB1_13 C_GB1_14 1 0.000000e+00 1.305180e-05 ; 3.489803e-01 -1.305180e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 110 121 + CA_GB1_13 O_GB1_14 1 0.000000e+00 1.457756e-06 ; 2.907159e-01 -1.457756e-06 9.232072e-01 2.741753e-01 0.004395 0.001132 True md_ensemble 5 110 122 + CA_GB1_13 N_GB1_15 1 0.000000e+00 1.311869e-05 ; 3.491289e-01 -1.311869e-05 5.328775e-03 7.371724e-01 0.004395 0.001132 True md_ensemble 5 110 123 CA_GB1_13 CA_GB1_15 1 0.000000e+00 6.555574e-05 ; 3.992202e-01 -6.555574e-05 3.931405e-03 7.255035e-01 0.004395 0.001132 True md_ensemble 6 110 125 CA_GB1_13 CG2_GB1_39 1 9.899712e-03 1.672531e-04 ; 5.065534e-01 1.464910e-01 1.935827e-02 2.984511e-04 0.004395 0.010759 True md_ensemble 7 110 332 - CB_GB1_13 NZ_GB1_13 1 0.000000e+00 3.765240e-06 ; 3.146379e-01 -3.765240e-06 9.341907e-01 9.584443e-01 0.004395 0.001132 True md_ensemble 4 111 115 - CB_GB1_13 C_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 116 + CB_GB1_13 NZ_GB1_13 1 0.000000e+00 3.765190e-06 ; 3.146376e-01 -3.765190e-06 9.341907e-01 9.584443e-01 0.004395 0.001132 True md_ensemble 4 111 115 + CB_GB1_13 C_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 116 CB_GB1_13 O_GB1_13 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 117 - CB_GB1_13 N_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 118 - CB_GB1_13 CA_GB1_14 1 0.000000e+00 1.543890e-05 ; 3.538993e-01 -1.543890e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 111 120 - CB_GB1_13 C_GB1_14 1 0.000000e+00 8.257487e-06 ; 3.359173e-01 -8.257487e-06 9.612403e-02 3.998086e-01 0.004395 0.001132 True md_ensemble 5 111 121 - CB_GB1_13 O_GB1_14 1 0.000000e+00 2.167448e-06 ; 3.004859e-01 -2.167448e-06 9.741725e-03 8.504800e-02 0.004395 0.001132 True md_ensemble 6 111 122 - CB_GB1_13 N_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 123 - CB_GB1_13 CD_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 128 - CB_GB1_13 OE1_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 129 - CB_GB1_13 OE2_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 130 - CB_GB1_13 C_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 131 + CB_GB1_13 N_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 118 + CB_GB1_13 CA_GB1_14 1 0.000000e+00 1.543866e-05 ; 3.538988e-01 -1.543866e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 111 120 + CB_GB1_13 C_GB1_14 1 0.000000e+00 8.257349e-06 ; 3.359168e-01 -8.257349e-06 9.612403e-02 3.998086e-01 0.004395 0.001132 True md_ensemble 5 111 121 + CB_GB1_13 O_GB1_14 1 0.000000e+00 2.167440e-06 ; 3.004858e-01 -2.167440e-06 9.741725e-03 8.504800e-02 0.004395 0.001132 True md_ensemble 6 111 122 + CB_GB1_13 N_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 123 + CB_GB1_13 CD_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 128 + CB_GB1_13 OE1_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 129 + CB_GB1_13 OE2_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 130 + CB_GB1_13 C_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 131 CB_GB1_13 O_GB1_15 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.490563e-02 0.004395 0.007862 True md_ensemble 7 111 132 - CB_GB1_13 N_GB1_16 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 133 - CB_GB1_13 OG1_GB1_16 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 137 - CB_GB1_13 C_GB1_16 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 139 + CB_GB1_13 N_GB1_16 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 133 + CB_GB1_13 OG1_GB1_16 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 137 + CB_GB1_13 C_GB1_16 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 139 CB_GB1_13 O_GB1_16 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.393974e-02 0.004395 0.007862 True md_ensemble 7 111 140 - CB_GB1_13 N_GB1_17 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 141 - CB_GB1_13 OG1_GB1_17 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 145 - CB_GB1_13 C_GB1_17 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 147 + CB_GB1_13 N_GB1_17 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 141 + CB_GB1_13 OG1_GB1_17 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 145 + CB_GB1_13 C_GB1_17 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 147 CB_GB1_13 O_GB1_17 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.579788e-03 0.004395 0.007862 True md_ensemble 7 111 148 - CB_GB1_13 N_GB1_18 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 149 - CB_GB1_13 OG1_GB1_18 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 153 - CB_GB1_13 C_GB1_18 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 155 + CB_GB1_13 N_GB1_18 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 149 + CB_GB1_13 OG1_GB1_18 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 153 + CB_GB1_13 C_GB1_18 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 155 CB_GB1_13 O_GB1_18 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.722155e-04 0.004395 0.007862 True md_ensemble 7 111 156 - CB_GB1_13 N_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 157 - CB_GB1_13 CD_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 162 - CB_GB1_13 OE1_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 163 - CB_GB1_13 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 164 - CB_GB1_13 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 165 + CB_GB1_13 N_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 157 + CB_GB1_13 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 162 + CB_GB1_13 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 163 + CB_GB1_13 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 164 + CB_GB1_13 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 165 CB_GB1_13 O_GB1_19 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.770688e-04 0.004395 0.007862 True md_ensemble 7 111 166 - CB_GB1_13 N_GB1_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 167 - CB_GB1_13 C_GB1_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 171 + CB_GB1_13 N_GB1_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 167 + CB_GB1_13 C_GB1_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 171 CB_GB1_13 O_GB1_20 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.930991e-04 0.004395 0.007862 True md_ensemble 7 111 172 - CB_GB1_13 N_GB1_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 173 - CB_GB1_13 C_GB1_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 179 + CB_GB1_13 N_GB1_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 173 + CB_GB1_13 C_GB1_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 179 CB_GB1_13 O_GB1_21 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 111 180 - CB_GB1_13 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 181 - CB_GB1_13 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 185 - CB_GB1_13 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 186 - CB_GB1_13 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 187 - CB_GB1_13 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 188 + CB_GB1_13 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 181 + CB_GB1_13 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 185 + CB_GB1_13 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 186 + CB_GB1_13 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 187 + CB_GB1_13 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 188 CB_GB1_13 O_GB1_22 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.999813e-04 0.004395 0.007862 True md_ensemble 7 111 189 - CB_GB1_13 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 190 - CB_GB1_13 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 194 + CB_GB1_13 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 190 + CB_GB1_13 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 194 CB_GB1_13 O_GB1_23 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.998738e-04 0.004395 0.007862 True md_ensemble 7 111 195 - CB_GB1_13 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 196 - CB_GB1_13 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 200 + CB_GB1_13 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 196 + CB_GB1_13 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 200 CB_GB1_13 O_GB1_24 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.001082e-04 0.004395 0.007862 True md_ensemble 7 111 201 - CB_GB1_13 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 202 - CB_GB1_13 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 206 - CB_GB1_13 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 208 + CB_GB1_13 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 202 + CB_GB1_13 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 206 + CB_GB1_13 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 208 CB_GB1_13 O_GB1_25 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000127e-04 0.004395 0.007862 True md_ensemble 7 111 209 - CB_GB1_13 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 210 - CB_GB1_13 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 214 + CB_GB1_13 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 210 + CB_GB1_13 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 214 CB_GB1_13 O_GB1_26 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.768936e-04 0.004395 0.007862 True md_ensemble 7 111 215 - CB_GB1_13 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 216 - CB_GB1_13 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 221 - CB_GB1_13 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 222 - CB_GB1_13 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 223 - CB_GB1_13 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 224 + CB_GB1_13 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 216 + CB_GB1_13 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 221 + CB_GB1_13 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 222 + CB_GB1_13 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 223 + CB_GB1_13 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 224 CB_GB1_13 O_GB1_27 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.575869e-04 0.004395 0.007862 True md_ensemble 7 111 225 - CB_GB1_13 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 226 - CB_GB1_13 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 233 - CB_GB1_13 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 234 + CB_GB1_13 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 226 + CB_GB1_13 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 233 + CB_GB1_13 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 234 CB_GB1_13 O_GB1_28 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.360049e-05 0.004395 0.007862 True md_ensemble 7 111 235 - CB_GB1_13 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 236 - CB_GB1_13 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 242 + CB_GB1_13 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 236 + CB_GB1_13 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 242 CB_GB1_13 O_GB1_29 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.990005e-05 0.004395 0.007862 True md_ensemble 7 111 243 - CB_GB1_13 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 244 - CB_GB1_13 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 254 + CB_GB1_13 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 244 + CB_GB1_13 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 254 CB_GB1_13 O_GB1_30 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 111 255 - CB_GB1_13 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 256 - CB_GB1_13 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 263 - CB_GB1_13 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 264 + CB_GB1_13 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 256 + CB_GB1_13 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 263 + CB_GB1_13 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 264 CB_GB1_13 O_GB1_31 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.000713e-04 0.004395 0.007862 True md_ensemble 7 111 265 - CB_GB1_13 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 266 - CB_GB1_13 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 271 + CB_GB1_13 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 266 + CB_GB1_13 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 271 CB_GB1_13 OE1_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.001859e-04 0.004395 0.007862 True md_ensemble 7 111 272 - CB_GB1_13 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 273 - CB_GB1_13 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 274 + CB_GB1_13 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 273 + CB_GB1_13 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 274 CB_GB1_13 O_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.995318e-05 0.004395 0.007862 True md_ensemble 7 111 275 - CB_GB1_13 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 276 - CB_GB1_13 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 286 - CB_GB1_13 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 287 + CB_GB1_13 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 276 + CB_GB1_13 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 286 + CB_GB1_13 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 287 CB_GB1_13 O_GB1_33 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.993550e-04 0.004395 0.007862 True md_ensemble 7 111 288 - CB_GB1_13 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 289 - CB_GB1_13 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 293 + CB_GB1_13 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 289 + CB_GB1_13 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 293 CB_GB1_13 O_GB1_34 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000658e-04 0.004395 0.007862 True md_ensemble 7 111 294 - CB_GB1_13 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 295 - CB_GB1_13 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 299 + CB_GB1_13 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 295 + CB_GB1_13 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 299 CB_GB1_13 OD1_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000183e-04 0.004395 0.007862 True md_ensemble 7 111 300 - CB_GB1_13 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 301 - CB_GB1_13 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 302 + CB_GB1_13 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 301 + CB_GB1_13 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 302 CB_GB1_13 O_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 111 303 - CB_GB1_13 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 304 - CB_GB1_13 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 308 - CB_GB1_13 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 309 - CB_GB1_13 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 310 - CB_GB1_13 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 311 + CB_GB1_13 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 304 + CB_GB1_13 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 308 + CB_GB1_13 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 309 + CB_GB1_13 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 310 + CB_GB1_13 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 311 CB_GB1_13 O_GB1_36 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 111 312 - CB_GB1_13 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 313 - CB_GB1_13 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 317 + CB_GB1_13 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 313 + CB_GB1_13 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 317 CB_GB1_13 OD1_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.997684e-05 0.004395 0.007862 True md_ensemble 7 111 318 - CB_GB1_13 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 319 - CB_GB1_13 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 320 + CB_GB1_13 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 319 + CB_GB1_13 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 320 CB_GB1_13 O_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.001305e-04 0.004395 0.007862 True md_ensemble 7 111 321 - CB_GB1_13 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 322 - CB_GB1_13 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 325 + CB_GB1_13 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 322 + CB_GB1_13 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 325 CB_GB1_13 O_GB1_38 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.092537e-04 0.004395 0.007862 True md_ensemble 7 111 326 - CB_GB1_13 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 327 - CB_GB1_13 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 333 + CB_GB1_13 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 327 + CB_GB1_13 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 333 CB_GB1_13 O_GB1_39 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.985638e-05 0.004395 0.007862 True md_ensemble 7 111 334 - CB_GB1_13 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 335 - CB_GB1_13 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 339 - CB_GB1_13 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 340 - CB_GB1_13 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 341 - CB_GB1_13 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 342 + CB_GB1_13 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 335 + CB_GB1_13 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 339 + CB_GB1_13 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 340 + CB_GB1_13 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 341 + CB_GB1_13 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 342 CB_GB1_13 O_GB1_40 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.656786e-04 0.004395 0.007862 True md_ensemble 7 111 343 - CB_GB1_13 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 344 - CB_GB1_13 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 347 + CB_GB1_13 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 344 + CB_GB1_13 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 347 CB_GB1_13 O_GB1_41 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 111 348 - CB_GB1_13 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 349 - CB_GB1_13 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 354 - CB_GB1_13 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 355 - CB_GB1_13 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 356 - CB_GB1_13 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 357 + CB_GB1_13 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 349 + CB_GB1_13 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 354 + CB_GB1_13 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 355 + CB_GB1_13 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 356 + CB_GB1_13 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 357 CB_GB1_13 O_GB1_42 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.994759e-04 0.004395 0.007862 True md_ensemble 7 111 358 - CB_GB1_13 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 359 - CB_GB1_13 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 366 - CB_GB1_13 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 372 + CB_GB1_13 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 359 + CB_GB1_13 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 366 + CB_GB1_13 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 372 CB_GB1_13 O_GB1_43 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.991868e-05 0.004395 0.007862 True md_ensemble 7 111 373 - CB_GB1_13 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 374 - CB_GB1_13 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 378 - CB_GB1_13 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 380 + CB_GB1_13 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 374 + CB_GB1_13 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 378 + CB_GB1_13 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 380 CB_GB1_13 O_GB1_44 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 111 381 - CB_GB1_13 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 382 - CB_GB1_13 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 392 - CB_GB1_13 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 393 + CB_GB1_13 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 382 + CB_GB1_13 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 392 + CB_GB1_13 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 393 CB_GB1_13 O_GB1_45 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000602e-04 0.004395 0.007862 True md_ensemble 7 111 394 - CB_GB1_13 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 395 - CB_GB1_13 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 399 - CB_GB1_13 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 400 - CB_GB1_13 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 401 - CB_GB1_13 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 402 + CB_GB1_13 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 395 + CB_GB1_13 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 399 + CB_GB1_13 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 400 + CB_GB1_13 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 401 + CB_GB1_13 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 402 CB_GB1_13 O_GB1_46 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 111 403 - CB_GB1_13 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 404 - CB_GB1_13 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 408 - CB_GB1_13 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 409 - CB_GB1_13 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 410 - CB_GB1_13 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 411 + CB_GB1_13 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 404 + CB_GB1_13 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 408 + CB_GB1_13 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 409 + CB_GB1_13 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 410 + CB_GB1_13 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 411 CB_GB1_13 O_GB1_47 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.413067e-05 0.004395 0.007862 True md_ensemble 7 111 412 - CB_GB1_13 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 413 - CB_GB1_13 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 417 + CB_GB1_13 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 413 + CB_GB1_13 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 417 CB_GB1_13 O_GB1_48 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 111 418 - CB_GB1_13 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 419 - CB_GB1_13 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 423 - CB_GB1_13 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 425 + CB_GB1_13 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 419 + CB_GB1_13 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 423 + CB_GB1_13 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 425 CB_GB1_13 O_GB1_49 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 111 426 - CB_GB1_13 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 427 - CB_GB1_13 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 434 - CB_GB1_13 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 435 + CB_GB1_13 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 427 + CB_GB1_13 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 434 + CB_GB1_13 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 435 CB_GB1_13 O_GB1_50 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 111 436 - CB_GB1_13 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 437 - CB_GB1_13 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 441 - CB_GB1_13 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 443 + CB_GB1_13 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 437 + CB_GB1_13 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 441 + CB_GB1_13 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 443 CB_GB1_13 O_GB1_51 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 111 444 - CB_GB1_13 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 445 - CB_GB1_13 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 455 + CB_GB1_13 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 445 + CB_GB1_13 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 455 CB_GB1_13 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.822739e-04 0.004395 0.007862 True md_ensemble 7 111 456 - CB_GB1_13 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 457 - CB_GB1_13 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 461 - CB_GB1_13 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 463 + CB_GB1_13 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 457 + CB_GB1_13 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 461 + CB_GB1_13 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 463 CB_GB1_13 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 111 464 - CB_GB1_13 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 465 - CB_GB1_13 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 471 + CB_GB1_13 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 465 + CB_GB1_13 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 471 CB_GB1_13 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 111 472 - CB_GB1_13 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 473 - CB_GB1_13 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 477 - CB_GB1_13 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 479 + CB_GB1_13 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 473 + CB_GB1_13 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 477 + CB_GB1_13 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 479 CB_GB1_13 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 111 480 - CB_GB1_13 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 481 - CB_GB1_13 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 486 - CB_GB1_13 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 487 - CB_GB1_13 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 488 - CB_GB1_13 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 489 - CB_GB1_13 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 490 - CB_GB1_13 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 491 - CG_GB1_13 NZ_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 115 - CG_GB1_13 C_GB1_13 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 116 - CG_GB1_13 O_GB1_13 1 0.000000e+00 1.981071e-06 ; 2.982428e-01 -1.981071e-06 9.699043e-01 9.527461e-01 0.004395 0.001132 True md_ensemble 4 112 117 - CG_GB1_13 N_GB1_14 1 0.000000e+00 3.664617e-06 ; 3.139285e-01 -3.664617e-06 9.783739e-01 9.752551e-01 0.004395 0.001132 True md_ensemble 4 112 118 - CG_GB1_13 CA_GB1_14 1 0.000000e+00 1.507267e-05 ; 3.531920e-01 -1.507267e-05 3.892486e-01 3.655271e-01 0.004395 0.001132 True md_ensemble 5 112 120 - CG_GB1_13 C_GB1_14 1 0.000000e+00 6.147747e-06 ; 3.277590e-01 -6.147747e-06 1.136409e-01 8.424153e-02 0.004395 0.001132 True md_ensemble 6 112 121 + CB_GB1_13 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 481 + CB_GB1_13 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 486 + CB_GB1_13 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 487 + CB_GB1_13 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 488 + CB_GB1_13 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 489 + CB_GB1_13 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 490 + CB_GB1_13 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 111 491 + CG_GB1_13 NZ_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 115 + CG_GB1_13 C_GB1_13 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 116 + CG_GB1_13 O_GB1_13 1 0.000000e+00 1.981064e-06 ; 2.982427e-01 -1.981064e-06 9.699043e-01 9.527461e-01 0.004395 0.001132 True md_ensemble 4 112 117 + CG_GB1_13 N_GB1_14 1 0.000000e+00 3.664568e-06 ; 3.139281e-01 -3.664568e-06 9.783739e-01 9.752551e-01 0.004395 0.001132 True md_ensemble 4 112 118 + CG_GB1_13 CA_GB1_14 1 0.000000e+00 1.507243e-05 ; 3.531915e-01 -1.507243e-05 3.892486e-01 3.655271e-01 0.004395 0.001132 True md_ensemble 5 112 120 + CG_GB1_13 C_GB1_14 1 0.000000e+00 6.147643e-06 ; 3.277586e-01 -6.147643e-06 1.136409e-01 8.424153e-02 0.004395 0.001132 True md_ensemble 6 112 121 CG_GB1_13 O_GB1_14 1 1.315964e-03 3.268461e-06 ; 3.680018e-01 1.324600e-01 5.732132e-02 3.055404e-02 0.004395 0.007862 True md_ensemble 7 112 122 - CG_GB1_13 N_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 123 - CG_GB1_13 CA_GB1_15 1 0.000000e+00 3.521459e-05 ; 3.790722e-01 -3.521459e-05 6.169285e-03 1.130711e-01 0.004395 0.007117 True md_ensemble 7 112 125 - CG_GB1_13 CB_GB1_15 1 0.000000e+00 1.703878e-05 ; 3.568192e-01 -1.703878e-05 5.634317e-03 1.092611e-01 0.004395 0.007860 True md_ensemble 7 112 126 - CG_GB1_13 CG_GB1_15 1 0.000000e+00 1.742827e-05 ; 3.574919e-01 -1.742827e-05 4.588967e-03 1.334435e-01 0.004395 0.007860 True md_ensemble 7 112 127 - CG_GB1_13 CD_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 128 - CG_GB1_13 OE1_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 129 - CG_GB1_13 OE2_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 130 - CG_GB1_13 C_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 131 + CG_GB1_13 N_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 123 + CG_GB1_13 CA_GB1_15 1 0.000000e+00 3.521444e-05 ; 3.790720e-01 -3.521444e-05 6.169285e-03 1.130711e-01 0.004395 0.007117 True md_ensemble 7 112 125 + CG_GB1_13 CB_GB1_15 1 0.000000e+00 1.703851e-05 ; 3.568187e-01 -1.703851e-05 5.634317e-03 1.092611e-01 0.004395 0.007860 True md_ensemble 7 112 126 + CG_GB1_13 CG_GB1_15 1 0.000000e+00 1.742800e-05 ; 3.574914e-01 -1.742800e-05 4.588967e-03 1.334435e-01 0.004395 0.007860 True md_ensemble 7 112 127 + CG_GB1_13 CD_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 128 + CG_GB1_13 OE1_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 129 + CG_GB1_13 OE2_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 130 + CG_GB1_13 C_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 131 CG_GB1_13 O_GB1_15 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.992104e-02 0.004395 0.007862 True md_ensemble 7 112 132 - CG_GB1_13 N_GB1_16 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 133 - CG_GB1_13 OG1_GB1_16 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 137 - CG_GB1_13 C_GB1_16 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 139 + CG_GB1_13 N_GB1_16 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 133 + CG_GB1_13 OG1_GB1_16 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 137 + CG_GB1_13 C_GB1_16 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 139 CG_GB1_13 O_GB1_16 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 8.752410e-03 0.004395 0.007862 True md_ensemble 7 112 140 - CG_GB1_13 N_GB1_17 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 141 - CG_GB1_13 OG1_GB1_17 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 145 - CG_GB1_13 C_GB1_17 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 147 + CG_GB1_13 N_GB1_17 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 141 + CG_GB1_13 OG1_GB1_17 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 145 + CG_GB1_13 C_GB1_17 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 147 CG_GB1_13 O_GB1_17 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.321784e-03 0.004395 0.007862 True md_ensemble 7 112 148 - CG_GB1_13 N_GB1_18 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 149 - CG_GB1_13 OG1_GB1_18 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 153 - CG_GB1_13 C_GB1_18 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 155 + CG_GB1_13 N_GB1_18 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 149 + CG_GB1_13 OG1_GB1_18 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 153 + CG_GB1_13 C_GB1_18 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 155 CG_GB1_13 O_GB1_18 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.459379e-04 0.004395 0.007862 True md_ensemble 7 112 156 - CG_GB1_13 N_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 157 - CG_GB1_13 CD_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 162 - CG_GB1_13 OE1_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 163 - CG_GB1_13 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 164 - CG_GB1_13 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 165 + CG_GB1_13 N_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 157 + CG_GB1_13 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 162 + CG_GB1_13 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 163 + CG_GB1_13 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 164 + CG_GB1_13 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 165 CG_GB1_13 O_GB1_19 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.207560e-04 0.004395 0.007862 True md_ensemble 7 112 166 - CG_GB1_13 N_GB1_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 167 - CG_GB1_13 C_GB1_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 171 + CG_GB1_13 N_GB1_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 167 + CG_GB1_13 C_GB1_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 171 CG_GB1_13 O_GB1_20 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.924793e-04 0.004395 0.007862 True md_ensemble 7 112 172 - CG_GB1_13 N_GB1_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 173 - CG_GB1_13 C_GB1_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 179 + CG_GB1_13 N_GB1_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 173 + CG_GB1_13 C_GB1_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 179 CG_GB1_13 O_GB1_21 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.044053e-04 0.004395 0.007862 True md_ensemble 7 112 180 - CG_GB1_13 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 181 - CG_GB1_13 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 185 - CG_GB1_13 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 186 - CG_GB1_13 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 187 - CG_GB1_13 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 188 + CG_GB1_13 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 181 + CG_GB1_13 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 185 + CG_GB1_13 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 186 + CG_GB1_13 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 187 + CG_GB1_13 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 188 CG_GB1_13 O_GB1_22 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 8.313464e-05 0.004395 0.007862 True md_ensemble 7 112 189 - CG_GB1_13 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 190 - CG_GB1_13 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 194 + CG_GB1_13 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 190 + CG_GB1_13 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 194 CG_GB1_13 O_GB1_23 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.374160e-04 0.004395 0.007862 True md_ensemble 7 112 195 - CG_GB1_13 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 196 - CG_GB1_13 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 200 + CG_GB1_13 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 196 + CG_GB1_13 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 200 CG_GB1_13 O_GB1_24 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.350842e-04 0.004395 0.007862 True md_ensemble 7 112 201 - CG_GB1_13 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 202 - CG_GB1_13 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 206 - CG_GB1_13 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 208 + CG_GB1_13 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 202 + CG_GB1_13 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 206 + CG_GB1_13 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 208 CG_GB1_13 O_GB1_25 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.027286e-04 0.004395 0.007862 True md_ensemble 7 112 209 - CG_GB1_13 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 210 - CG_GB1_13 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 214 + CG_GB1_13 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 210 + CG_GB1_13 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 214 CG_GB1_13 O_GB1_26 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.579843e-04 0.004395 0.007862 True md_ensemble 7 112 215 - CG_GB1_13 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 216 - CG_GB1_13 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 221 - CG_GB1_13 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 222 - CG_GB1_13 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 223 - CG_GB1_13 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 224 + CG_GB1_13 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 216 + CG_GB1_13 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 221 + CG_GB1_13 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 222 + CG_GB1_13 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 223 + CG_GB1_13 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 224 CG_GB1_13 O_GB1_27 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.001458e-04 0.004395 0.007862 True md_ensemble 7 112 225 - CG_GB1_13 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 226 - CG_GB1_13 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 233 - CG_GB1_13 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 234 + CG_GB1_13 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 226 + CG_GB1_13 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 233 + CG_GB1_13 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 234 CG_GB1_13 O_GB1_28 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 112 235 - CG_GB1_13 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 236 - CG_GB1_13 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 242 + CG_GB1_13 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 236 + CG_GB1_13 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 242 CG_GB1_13 O_GB1_29 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.997343e-05 0.004395 0.007862 True md_ensemble 7 112 243 - CG_GB1_13 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 244 - CG_GB1_13 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 254 + CG_GB1_13 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 244 + CG_GB1_13 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 254 CG_GB1_13 O_GB1_30 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.998880e-04 0.004395 0.007862 True md_ensemble 7 112 255 - CG_GB1_13 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 256 - CG_GB1_13 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 263 - CG_GB1_13 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 264 + CG_GB1_13 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 256 + CG_GB1_13 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 263 + CG_GB1_13 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 264 CG_GB1_13 O_GB1_31 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.076680e-04 0.004395 0.007862 True md_ensemble 7 112 265 - CG_GB1_13 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 266 - CG_GB1_13 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 271 + CG_GB1_13 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 266 + CG_GB1_13 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 271 CG_GB1_13 OE1_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.856718e-04 0.004395 0.007862 True md_ensemble 7 112 272 - CG_GB1_13 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 273 - CG_GB1_13 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 274 + CG_GB1_13 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 273 + CG_GB1_13 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 274 CG_GB1_13 O_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000141e-04 0.004395 0.007862 True md_ensemble 7 112 275 - CG_GB1_13 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 276 - CG_GB1_13 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 286 - CG_GB1_13 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 287 + CG_GB1_13 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 276 + CG_GB1_13 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 286 + CG_GB1_13 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 287 CG_GB1_13 O_GB1_33 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.297584e-04 0.004395 0.007862 True md_ensemble 7 112 288 - CG_GB1_13 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 289 - CG_GB1_13 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 293 + CG_GB1_13 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 289 + CG_GB1_13 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 293 CG_GB1_13 O_GB1_34 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000625e-04 0.004395 0.007862 True md_ensemble 7 112 294 - CG_GB1_13 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 295 - CG_GB1_13 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 299 + CG_GB1_13 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 295 + CG_GB1_13 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 299 CG_GB1_13 OD1_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.634832e-05 0.004395 0.007862 True md_ensemble 7 112 300 - CG_GB1_13 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 301 - CG_GB1_13 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 302 + CG_GB1_13 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 301 + CG_GB1_13 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 302 CG_GB1_13 O_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.683005e-05 0.004395 0.007862 True md_ensemble 7 112 303 - CG_GB1_13 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 304 - CG_GB1_13 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 308 - CG_GB1_13 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 309 - CG_GB1_13 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 310 - CG_GB1_13 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 311 + CG_GB1_13 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 304 + CG_GB1_13 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 308 + CG_GB1_13 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 309 + CG_GB1_13 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 310 + CG_GB1_13 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 311 CG_GB1_13 O_GB1_36 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.775976e-05 0.004395 0.007862 True md_ensemble 7 112 312 - CG_GB1_13 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 313 - CG_GB1_13 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 317 + CG_GB1_13 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 313 + CG_GB1_13 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 317 CG_GB1_13 OD1_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.001247e-04 0.004395 0.007862 True md_ensemble 7 112 318 - CG_GB1_13 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 319 - CG_GB1_13 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 320 + CG_GB1_13 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 319 + CG_GB1_13 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 320 CG_GB1_13 O_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.949103e-04 0.004395 0.007862 True md_ensemble 7 112 321 - CG_GB1_13 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 322 - CG_GB1_13 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 325 + CG_GB1_13 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 322 + CG_GB1_13 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 325 CG_GB1_13 O_GB1_38 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.063259e-04 0.004395 0.007862 True md_ensemble 7 112 326 - CG_GB1_13 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 327 - CG_GB1_13 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 333 + CG_GB1_13 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 327 + CG_GB1_13 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 333 CG_GB1_13 O_GB1_39 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.996387e-05 0.004395 0.007862 True md_ensemble 7 112 334 - CG_GB1_13 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 335 - CG_GB1_13 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 339 - CG_GB1_13 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 340 - CG_GB1_13 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 341 - CG_GB1_13 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 342 + CG_GB1_13 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 335 + CG_GB1_13 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 339 + CG_GB1_13 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 340 + CG_GB1_13 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 341 + CG_GB1_13 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 342 CG_GB1_13 O_GB1_40 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.857991e-04 0.004395 0.007862 True md_ensemble 7 112 343 - CG_GB1_13 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 344 - CG_GB1_13 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 347 + CG_GB1_13 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 344 + CG_GB1_13 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 347 CG_GB1_13 O_GB1_41 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.508748e-05 0.004395 0.007862 True md_ensemble 7 112 348 - CG_GB1_13 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 349 - CG_GB1_13 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 354 - CG_GB1_13 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 355 - CG_GB1_13 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 356 - CG_GB1_13 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 357 + CG_GB1_13 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 349 + CG_GB1_13 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 354 + CG_GB1_13 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 355 + CG_GB1_13 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 356 + CG_GB1_13 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 357 CG_GB1_13 O_GB1_42 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.413154e-04 0.004395 0.007862 True md_ensemble 7 112 358 - CG_GB1_13 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 359 - CG_GB1_13 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 366 - CG_GB1_13 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 372 + CG_GB1_13 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 359 + CG_GB1_13 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 366 + CG_GB1_13 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 372 CG_GB1_13 O_GB1_43 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.451490e-07 0.004395 0.007862 True md_ensemble 7 112 373 - CG_GB1_13 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 374 - CG_GB1_13 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 378 - CG_GB1_13 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 380 + CG_GB1_13 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 374 + CG_GB1_13 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 378 + CG_GB1_13 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 380 CG_GB1_13 O_GB1_44 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 112 381 - CG_GB1_13 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 382 - CG_GB1_13 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 392 - CG_GB1_13 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 393 + CG_GB1_13 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 382 + CG_GB1_13 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 392 + CG_GB1_13 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 393 CG_GB1_13 O_GB1_45 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000658e-04 0.004395 0.007862 True md_ensemble 7 112 394 - CG_GB1_13 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 395 - CG_GB1_13 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 399 - CG_GB1_13 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 400 - CG_GB1_13 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 401 - CG_GB1_13 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 402 + CG_GB1_13 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 395 + CG_GB1_13 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 399 + CG_GB1_13 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 400 + CG_GB1_13 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 401 + CG_GB1_13 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 402 CG_GB1_13 O_GB1_46 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.381563e-05 0.004395 0.007862 True md_ensemble 7 112 403 - CG_GB1_13 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 404 - CG_GB1_13 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 408 - CG_GB1_13 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 409 - CG_GB1_13 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 410 - CG_GB1_13 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 411 + CG_GB1_13 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 404 + CG_GB1_13 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 408 + CG_GB1_13 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 409 + CG_GB1_13 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 410 + CG_GB1_13 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 411 CG_GB1_13 O_GB1_47 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 112 412 - CG_GB1_13 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 413 - CG_GB1_13 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 417 + CG_GB1_13 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 413 + CG_GB1_13 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 417 CG_GB1_13 O_GB1_48 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 112 418 - CG_GB1_13 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 419 - CG_GB1_13 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 423 - CG_GB1_13 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 425 + CG_GB1_13 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 419 + CG_GB1_13 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 423 + CG_GB1_13 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 425 CG_GB1_13 O_GB1_49 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 112 426 - CG_GB1_13 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 427 - CG_GB1_13 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 434 - CG_GB1_13 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 435 + CG_GB1_13 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 427 + CG_GB1_13 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 434 + CG_GB1_13 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 435 CG_GB1_13 O_GB1_50 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 112 436 - CG_GB1_13 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 437 - CG_GB1_13 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 441 - CG_GB1_13 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 443 + CG_GB1_13 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 437 + CG_GB1_13 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 441 + CG_GB1_13 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 443 CG_GB1_13 O_GB1_51 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 112 444 - CG_GB1_13 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 445 - CG_GB1_13 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 455 + CG_GB1_13 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 445 + CG_GB1_13 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 455 CG_GB1_13 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.425660e-04 0.004395 0.007862 True md_ensemble 7 112 456 - CG_GB1_13 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 457 - CG_GB1_13 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 461 - CG_GB1_13 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 463 + CG_GB1_13 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 457 + CG_GB1_13 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 461 + CG_GB1_13 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 463 CG_GB1_13 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 112 464 - CG_GB1_13 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 465 - CG_GB1_13 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 471 + CG_GB1_13 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 465 + CG_GB1_13 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 471 CG_GB1_13 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 112 472 - CG_GB1_13 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 473 - CG_GB1_13 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 477 - CG_GB1_13 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 479 + CG_GB1_13 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 473 + CG_GB1_13 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 477 + CG_GB1_13 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 479 CG_GB1_13 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 112 480 - CG_GB1_13 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 481 - CG_GB1_13 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 486 - CG_GB1_13 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 487 - CG_GB1_13 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 488 - CG_GB1_13 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 489 - CG_GB1_13 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 490 - CG_GB1_13 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 491 - CD_GB1_13 NZ_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 115 - CD_GB1_13 C_GB1_13 1 0.000000e+00 6.284452e-06 ; 3.283603e-01 -6.284452e-06 9.972682e-01 9.894517e-01 0.004395 0.001132 True md_ensemble 4 113 116 - CD_GB1_13 O_GB1_13 1 0.000000e+00 2.202204e-06 ; 3.008845e-01 -2.202204e-06 1.565663e-01 2.491157e-01 0.004395 0.001132 True md_ensemble 5 113 117 - CD_GB1_13 N_GB1_14 1 0.000000e+00 3.388549e-06 ; 3.118862e-01 -3.388549e-06 2.512833e-01 1.730661e-01 0.004395 0.001132 True md_ensemble 5 113 118 - CD_GB1_13 CA_GB1_14 1 0.000000e+00 1.497508e-05 ; 3.530009e-01 -1.497508e-05 8.134721e-02 5.130517e-02 0.004395 0.001132 True md_ensemble 6 113 120 - CD_GB1_13 C_GB1_14 1 0.000000e+00 6.261009e-06 ; 3.282580e-01 -6.261009e-06 1.866242e-02 7.144884e-03 0.004395 0.001132 True md_ensemble 7 113 121 + CG_GB1_13 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 481 + CG_GB1_13 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 486 + CG_GB1_13 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 487 + CG_GB1_13 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 488 + CG_GB1_13 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 489 + CG_GB1_13 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 490 + CG_GB1_13 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 112 491 + CD_GB1_13 NZ_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 115 + CD_GB1_13 C_GB1_13 1 0.000000e+00 6.284346e-06 ; 3.283598e-01 -6.284346e-06 9.972682e-01 9.894517e-01 0.004395 0.001132 True md_ensemble 4 113 116 + CD_GB1_13 O_GB1_13 1 0.000000e+00 2.202196e-06 ; 3.008844e-01 -2.202196e-06 1.565663e-01 2.491157e-01 0.004395 0.001132 True md_ensemble 5 113 117 + CD_GB1_13 N_GB1_14 1 0.000000e+00 3.388504e-06 ; 3.118858e-01 -3.388504e-06 2.512833e-01 1.730661e-01 0.004395 0.001132 True md_ensemble 5 113 118 + CD_GB1_13 CA_GB1_14 1 0.000000e+00 1.497485e-05 ; 3.530004e-01 -1.497485e-05 8.134721e-02 5.130517e-02 0.004395 0.001132 True md_ensemble 6 113 120 + CD_GB1_13 C_GB1_14 1 0.000000e+00 6.260904e-06 ; 3.282576e-01 -6.260904e-06 1.866242e-02 7.144884e-03 0.004395 0.001132 True md_ensemble 7 113 121 CD_GB1_13 O_GB1_14 1 9.142253e-04 1.757456e-06 ; 3.526186e-01 1.188945e-01 1.546226e-02 1.072060e-02 0.004395 0.007862 True md_ensemble 7 113 122 - CD_GB1_13 N_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 123 - CD_GB1_13 CA_GB1_15 1 0.000000e+00 3.394761e-05 ; 3.779164e-01 -3.394761e-05 4.451322e-03 7.152819e-02 0.004395 0.007117 True md_ensemble 7 113 125 - CD_GB1_13 CB_GB1_15 1 0.000000e+00 1.679773e-05 ; 3.563958e-01 -1.679773e-05 6.125262e-03 9.413873e-02 0.004395 0.007860 True md_ensemble 7 113 126 - CD_GB1_13 CG_GB1_15 1 0.000000e+00 1.721227e-05 ; 3.571205e-01 -1.721227e-05 5.554380e-03 1.204179e-01 0.004395 0.007860 True md_ensemble 7 113 127 - CD_GB1_13 CD_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 128 - CD_GB1_13 OE1_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 129 - CD_GB1_13 OE2_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 130 - CD_GB1_13 C_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 131 + CD_GB1_13 N_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 123 + CD_GB1_13 CA_GB1_15 1 0.000000e+00 3.394747e-05 ; 3.779163e-01 -3.394747e-05 4.451322e-03 7.152819e-02 0.004395 0.007117 True md_ensemble 7 113 125 + CD_GB1_13 CB_GB1_15 1 0.000000e+00 1.679746e-05 ; 3.563953e-01 -1.679746e-05 6.125262e-03 9.413873e-02 0.004395 0.007860 True md_ensemble 7 113 126 + CD_GB1_13 CG_GB1_15 1 0.000000e+00 1.721199e-05 ; 3.571201e-01 -1.721199e-05 5.554380e-03 1.204179e-01 0.004395 0.007860 True md_ensemble 7 113 127 + CD_GB1_13 CD_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 128 + CD_GB1_13 OE1_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 129 + CD_GB1_13 OE2_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 130 + CD_GB1_13 C_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 131 CD_GB1_13 O_GB1_15 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.922875e-02 0.004395 0.007862 True md_ensemble 7 113 132 - CD_GB1_13 N_GB1_16 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 133 - CD_GB1_13 OG1_GB1_16 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 137 - CD_GB1_13 C_GB1_16 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 139 + CD_GB1_13 N_GB1_16 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 133 + CD_GB1_13 OG1_GB1_16 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 137 + CD_GB1_13 C_GB1_16 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 139 CD_GB1_13 O_GB1_16 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.319063e-03 0.004395 0.007862 True md_ensemble 7 113 140 - CD_GB1_13 N_GB1_17 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 141 - CD_GB1_13 OG1_GB1_17 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 145 - CD_GB1_13 C_GB1_17 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 147 + CD_GB1_13 N_GB1_17 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 141 + CD_GB1_13 OG1_GB1_17 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 145 + CD_GB1_13 C_GB1_17 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 147 CD_GB1_13 O_GB1_17 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.978494e-03 0.004395 0.007862 True md_ensemble 7 113 148 - CD_GB1_13 N_GB1_18 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 149 - CD_GB1_13 OG1_GB1_18 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 153 - CD_GB1_13 C_GB1_18 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 155 + CD_GB1_13 N_GB1_18 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 149 + CD_GB1_13 OG1_GB1_18 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 153 + CD_GB1_13 C_GB1_18 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 155 CD_GB1_13 O_GB1_18 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.253785e-03 0.004395 0.007862 True md_ensemble 7 113 156 - CD_GB1_13 N_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 157 - CD_GB1_13 CD_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 162 - CD_GB1_13 OE1_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 163 - CD_GB1_13 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 164 - CD_GB1_13 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 165 + CD_GB1_13 N_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 157 + CD_GB1_13 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 162 + CD_GB1_13 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 163 + CD_GB1_13 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 164 + CD_GB1_13 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 165 CD_GB1_13 O_GB1_19 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.097359e-03 0.004395 0.007862 True md_ensemble 7 113 166 - CD_GB1_13 N_GB1_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 167 - CD_GB1_13 C_GB1_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 171 + CD_GB1_13 N_GB1_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 167 + CD_GB1_13 C_GB1_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 171 CD_GB1_13 O_GB1_20 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.047299e-03 0.004395 0.007862 True md_ensemble 7 113 172 - CD_GB1_13 N_GB1_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 173 - CD_GB1_13 C_GB1_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 179 + CD_GB1_13 N_GB1_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 173 + CD_GB1_13 C_GB1_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 179 CD_GB1_13 O_GB1_21 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.781157e-04 0.004395 0.007862 True md_ensemble 7 113 180 - CD_GB1_13 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 181 - CD_GB1_13 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 185 - CD_GB1_13 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 186 - CD_GB1_13 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 187 - CD_GB1_13 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 188 + CD_GB1_13 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 181 + CD_GB1_13 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 185 + CD_GB1_13 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 186 + CD_GB1_13 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 187 + CD_GB1_13 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 188 CD_GB1_13 O_GB1_22 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.396295e-04 0.004395 0.007862 True md_ensemble 7 113 189 - CD_GB1_13 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 190 - CD_GB1_13 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 194 + CD_GB1_13 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 190 + CD_GB1_13 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 194 CD_GB1_13 O_GB1_23 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.143897e-04 0.004395 0.007862 True md_ensemble 7 113 195 - CD_GB1_13 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 196 - CD_GB1_13 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 200 + CD_GB1_13 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 196 + CD_GB1_13 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 200 CD_GB1_13 O_GB1_24 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.960807e-04 0.004395 0.007862 True md_ensemble 7 113 201 - CD_GB1_13 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 202 - CD_GB1_13 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 206 - CD_GB1_13 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 208 + CD_GB1_13 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 202 + CD_GB1_13 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 206 + CD_GB1_13 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 208 CD_GB1_13 O_GB1_25 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.999532e-04 0.004395 0.007862 True md_ensemble 7 113 209 - CD_GB1_13 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 210 - CD_GB1_13 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 214 + CD_GB1_13 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 210 + CD_GB1_13 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 214 CD_GB1_13 O_GB1_26 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.643768e-04 0.004395 0.007862 True md_ensemble 7 113 215 - CD_GB1_13 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 216 - CD_GB1_13 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 221 - CD_GB1_13 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 222 - CD_GB1_13 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 223 - CD_GB1_13 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 224 + CD_GB1_13 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 216 + CD_GB1_13 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 221 + CD_GB1_13 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 222 + CD_GB1_13 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 223 + CD_GB1_13 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 224 CD_GB1_13 O_GB1_27 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.946770e-04 0.004395 0.007862 True md_ensemble 7 113 225 - CD_GB1_13 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 226 - CD_GB1_13 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 233 - CD_GB1_13 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 234 + CD_GB1_13 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 226 + CD_GB1_13 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 233 + CD_GB1_13 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 234 CD_GB1_13 O_GB1_28 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.990891e-04 0.004395 0.007862 True md_ensemble 7 113 235 - CD_GB1_13 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 236 - CD_GB1_13 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 242 + CD_GB1_13 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 236 + CD_GB1_13 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 242 CD_GB1_13 O_GB1_29 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.998270e-04 0.004395 0.007862 True md_ensemble 7 113 243 - CD_GB1_13 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 244 - CD_GB1_13 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 254 + CD_GB1_13 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 244 + CD_GB1_13 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 254 CD_GB1_13 O_GB1_30 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.670471e-04 0.004395 0.007862 True md_ensemble 7 113 255 - CD_GB1_13 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 256 - CD_GB1_13 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 263 - CD_GB1_13 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 264 + CD_GB1_13 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 256 + CD_GB1_13 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 263 + CD_GB1_13 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 264 CD_GB1_13 O_GB1_31 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.858427e-05 0.004395 0.007862 True md_ensemble 7 113 265 - CD_GB1_13 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 266 - CD_GB1_13 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 271 + CD_GB1_13 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 266 + CD_GB1_13 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 271 CD_GB1_13 OE1_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.044436e-04 0.004395 0.007862 True md_ensemble 7 113 272 - CD_GB1_13 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 273 - CD_GB1_13 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 274 + CD_GB1_13 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 273 + CD_GB1_13 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 274 CD_GB1_13 O_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000587e-04 0.004395 0.007862 True md_ensemble 7 113 275 - CD_GB1_13 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 276 - CD_GB1_13 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 286 - CD_GB1_13 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 287 + CD_GB1_13 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 276 + CD_GB1_13 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 286 + CD_GB1_13 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 287 CD_GB1_13 O_GB1_33 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.548430e-04 0.004395 0.007862 True md_ensemble 7 113 288 - CD_GB1_13 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 289 - CD_GB1_13 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 293 + CD_GB1_13 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 289 + CD_GB1_13 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 293 CD_GB1_13 O_GB1_34 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.001207e-04 0.004395 0.007862 True md_ensemble 7 113 294 - CD_GB1_13 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 295 - CD_GB1_13 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 299 + CD_GB1_13 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 295 + CD_GB1_13 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 299 CD_GB1_13 OD1_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.654066e-06 0.004395 0.007862 True md_ensemble 7 113 300 - CD_GB1_13 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 301 - CD_GB1_13 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 302 + CD_GB1_13 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 301 + CD_GB1_13 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 302 CD_GB1_13 O_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.905242e-05 0.004395 0.007862 True md_ensemble 7 113 303 - CD_GB1_13 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 304 - CD_GB1_13 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 308 - CD_GB1_13 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 309 - CD_GB1_13 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 310 - CD_GB1_13 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 311 + CD_GB1_13 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 304 + CD_GB1_13 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 308 + CD_GB1_13 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 309 + CD_GB1_13 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 310 + CD_GB1_13 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 311 CD_GB1_13 O_GB1_36 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000620e-04 0.004395 0.007862 True md_ensemble 7 113 312 - CD_GB1_13 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 313 - CD_GB1_13 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 317 + CD_GB1_13 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 313 + CD_GB1_13 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 317 CD_GB1_13 OD1_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.987228e-05 0.004395 0.007862 True md_ensemble 7 113 318 - CD_GB1_13 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 319 - CD_GB1_13 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 320 + CD_GB1_13 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 319 + CD_GB1_13 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 320 CD_GB1_13 O_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.012977e-04 0.004395 0.007862 True md_ensemble 7 113 321 - CD_GB1_13 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 322 - CD_GB1_13 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 325 + CD_GB1_13 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 322 + CD_GB1_13 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 325 CD_GB1_13 O_GB1_38 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.999747e-04 0.004395 0.007862 True md_ensemble 7 113 326 - CD_GB1_13 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 327 - CD_GB1_13 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 333 + CD_GB1_13 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 327 + CD_GB1_13 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 333 CD_GB1_13 O_GB1_39 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.599554e-06 0.004395 0.007862 True md_ensemble 7 113 334 - CD_GB1_13 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 335 - CD_GB1_13 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 339 - CD_GB1_13 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 340 - CD_GB1_13 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 341 - CD_GB1_13 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 342 + CD_GB1_13 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 335 + CD_GB1_13 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 339 + CD_GB1_13 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 340 + CD_GB1_13 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 341 + CD_GB1_13 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 342 CD_GB1_13 O_GB1_40 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.997918e-04 0.004395 0.007862 True md_ensemble 7 113 343 - CD_GB1_13 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 344 - CD_GB1_13 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 347 + CD_GB1_13 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 344 + CD_GB1_13 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 347 CD_GB1_13 O_GB1_41 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.000088e-04 0.004395 0.007862 True md_ensemble 7 113 348 - CD_GB1_13 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 349 - CD_GB1_13 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 354 - CD_GB1_13 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 355 - CD_GB1_13 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 356 - CD_GB1_13 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 357 + CD_GB1_13 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 349 + CD_GB1_13 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 354 + CD_GB1_13 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 355 + CD_GB1_13 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 356 + CD_GB1_13 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 357 CD_GB1_13 O_GB1_42 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.197735e-04 0.004395 0.007862 True md_ensemble 7 113 358 - CD_GB1_13 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 359 - CD_GB1_13 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 366 - CD_GB1_13 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 372 + CD_GB1_13 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 359 + CD_GB1_13 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 366 + CD_GB1_13 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 372 CD_GB1_13 O_GB1_43 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 113 373 - CD_GB1_13 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 374 - CD_GB1_13 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 378 - CD_GB1_13 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 380 + CD_GB1_13 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 374 + CD_GB1_13 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 378 + CD_GB1_13 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 380 CD_GB1_13 O_GB1_44 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.917639e-05 0.004395 0.007862 True md_ensemble 7 113 381 - CD_GB1_13 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 382 - CD_GB1_13 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 392 - CD_GB1_13 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 393 + CD_GB1_13 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 382 + CD_GB1_13 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 392 + CD_GB1_13 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 393 CD_GB1_13 O_GB1_45 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.893049e-04 0.004395 0.007862 True md_ensemble 7 113 394 - CD_GB1_13 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 395 - CD_GB1_13 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 399 - CD_GB1_13 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 400 - CD_GB1_13 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 401 - CD_GB1_13 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 402 + CD_GB1_13 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 395 + CD_GB1_13 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 399 + CD_GB1_13 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 400 + CD_GB1_13 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 401 + CD_GB1_13 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 402 CD_GB1_13 O_GB1_46 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000637e-04 0.004395 0.007862 True md_ensemble 7 113 403 - CD_GB1_13 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 404 - CD_GB1_13 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 408 - CD_GB1_13 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 409 - CD_GB1_13 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 410 - CD_GB1_13 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 411 + CD_GB1_13 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 404 + CD_GB1_13 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 408 + CD_GB1_13 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 409 + CD_GB1_13 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 410 + CD_GB1_13 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 411 CD_GB1_13 O_GB1_47 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 113 412 - CD_GB1_13 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 413 - CD_GB1_13 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 417 + CD_GB1_13 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 413 + CD_GB1_13 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 417 CD_GB1_13 O_GB1_48 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 8.441158e-05 0.004395 0.007862 True md_ensemble 7 113 418 - CD_GB1_13 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 419 - CD_GB1_13 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 423 - CD_GB1_13 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 425 + CD_GB1_13 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 419 + CD_GB1_13 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 423 + CD_GB1_13 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 425 CD_GB1_13 O_GB1_49 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 113 426 - CD_GB1_13 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 427 - CD_GB1_13 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 434 - CD_GB1_13 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 435 + CD_GB1_13 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 427 + CD_GB1_13 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 434 + CD_GB1_13 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 435 CD_GB1_13 O_GB1_50 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.984986e-05 0.004395 0.007862 True md_ensemble 7 113 436 - CD_GB1_13 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 437 - CD_GB1_13 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 441 - CD_GB1_13 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 443 + CD_GB1_13 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 437 + CD_GB1_13 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 441 + CD_GB1_13 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 443 CD_GB1_13 O_GB1_51 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 113 444 - CD_GB1_13 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 445 - CD_GB1_13 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 455 + CD_GB1_13 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 445 + CD_GB1_13 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 455 CD_GB1_13 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.576583e-04 0.004395 0.007862 True md_ensemble 7 113 456 - CD_GB1_13 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 457 - CD_GB1_13 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 461 - CD_GB1_13 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 463 + CD_GB1_13 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 457 + CD_GB1_13 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 461 + CD_GB1_13 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 463 CD_GB1_13 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 113 464 - CD_GB1_13 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 465 - CD_GB1_13 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 471 + CD_GB1_13 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 465 + CD_GB1_13 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 471 CD_GB1_13 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 113 472 - CD_GB1_13 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 473 - CD_GB1_13 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 477 - CD_GB1_13 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 479 + CD_GB1_13 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 473 + CD_GB1_13 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 477 + CD_GB1_13 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 479 CD_GB1_13 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.123774e-04 0.004395 0.007862 True md_ensemble 7 113 480 - CD_GB1_13 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 481 - CD_GB1_13 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 486 - CD_GB1_13 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 487 - CD_GB1_13 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 488 - CD_GB1_13 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 489 - CD_GB1_13 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 490 - CD_GB1_13 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 491 - CE_GB1_13 NZ_GB1_13 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 115 - CE_GB1_13 C_GB1_13 1 0.000000e+00 7.279637e-06 ; 3.324075e-01 -7.279637e-06 1.343596e-01 2.836620e-01 0.004395 0.001132 True md_ensemble 5 114 116 - CE_GB1_13 O_GB1_13 1 0.000000e+00 2.105465e-06 ; 2.997602e-01 -2.105465e-06 1.118177e-02 5.573737e-02 0.004395 0.001132 True md_ensemble 6 114 117 - CE_GB1_13 N_GB1_14 1 0.000000e+00 3.674090e-06 ; 3.139960e-01 -3.674090e-06 3.223698e-02 3.169515e-02 0.004395 0.001132 True md_ensemble 6 114 118 + CD_GB1_13 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 481 + CD_GB1_13 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 486 + CD_GB1_13 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 487 + CD_GB1_13 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 488 + CD_GB1_13 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 489 + CD_GB1_13 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 490 + CD_GB1_13 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 113 491 + CE_GB1_13 NZ_GB1_13 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 115 + CE_GB1_13 C_GB1_13 1 0.000000e+00 7.279514e-06 ; 3.324070e-01 -7.279514e-06 1.343596e-01 2.836620e-01 0.004395 0.001132 True md_ensemble 5 114 116 + CE_GB1_13 O_GB1_13 1 0.000000e+00 2.105457e-06 ; 2.997601e-01 -2.105457e-06 1.118177e-02 5.573737e-02 0.004395 0.001132 True md_ensemble 6 114 117 + CE_GB1_13 N_GB1_14 1 0.000000e+00 3.674041e-06 ; 3.139957e-01 -3.674041e-06 3.223698e-02 3.169515e-02 0.004395 0.001132 True md_ensemble 6 114 118 CE_GB1_13 CA_GB1_14 1 3.844680e-03 2.931191e-05 ; 4.436399e-01 1.260713e-01 2.470910e-02 1.490431e-02 0.004395 0.007860 True md_ensemble 7 114 120 - CE_GB1_13 C_GB1_14 1 0.000000e+00 6.287586e-06 ; 3.283739e-01 -6.287586e-06 1.143066e-02 4.108954e-03 0.004395 0.001132 True md_ensemble 7 114 121 + CE_GB1_13 C_GB1_14 1 0.000000e+00 6.287480e-06 ; 3.283735e-01 -6.287480e-06 1.143066e-02 4.108954e-03 0.004395 0.001132 True md_ensemble 7 114 121 CE_GB1_13 O_GB1_14 1 5.615416e-04 6.619587e-07 ; 3.250186e-01 1.190894e-01 1.172834e-02 8.101077e-03 0.004395 0.007862 True md_ensemble 7 114 122 - CE_GB1_13 N_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 123 - CE_GB1_13 CA_GB1_15 1 0.000000e+00 3.317811e-05 ; 3.771950e-01 -3.317811e-05 8.058235e-03 5.094726e-02 0.004395 0.007117 True md_ensemble 7 114 125 - CE_GB1_13 CB_GB1_15 1 0.000000e+00 1.634950e-05 ; 3.555934e-01 -1.634950e-05 1.114791e-02 7.012878e-02 0.004395 0.007860 True md_ensemble 7 114 126 - CE_GB1_13 CG_GB1_15 1 0.000000e+00 1.655241e-05 ; 3.559591e-01 -1.655241e-05 9.363062e-03 8.148691e-02 0.004395 0.007860 True md_ensemble 7 114 127 - CE_GB1_13 CD_GB1_15 1 0.000000e+00 6.715994e-06 ; 3.301826e-01 -6.715994e-06 7.592687e-03 6.790768e-02 0.004395 0.001132 True md_ensemble 7 114 128 - CE_GB1_13 OE1_GB1_15 1 0.000000e+00 1.692275e-06 ; 2.943524e-01 -1.692275e-06 4.693742e-03 4.184814e-02 0.004395 0.001132 True md_ensemble 7 114 129 - CE_GB1_13 OE2_GB1_15 1 0.000000e+00 1.692275e-06 ; 2.943524e-01 -1.692275e-06 4.693742e-03 4.184814e-02 0.004395 0.001132 True md_ensemble 7 114 130 - CE_GB1_13 C_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 131 + CE_GB1_13 N_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 123 + CE_GB1_13 CA_GB1_15 1 0.000000e+00 3.317797e-05 ; 3.771949e-01 -3.317797e-05 8.058235e-03 5.094726e-02 0.004395 0.007117 True md_ensemble 7 114 125 + CE_GB1_13 CB_GB1_15 1 0.000000e+00 1.634924e-05 ; 3.555929e-01 -1.634924e-05 1.114791e-02 7.012878e-02 0.004395 0.007860 True md_ensemble 7 114 126 + CE_GB1_13 CG_GB1_15 1 0.000000e+00 1.655215e-05 ; 3.559586e-01 -1.655215e-05 9.363062e-03 8.148691e-02 0.004395 0.007860 True md_ensemble 7 114 127 + CE_GB1_13 CD_GB1_15 1 0.000000e+00 6.715881e-06 ; 3.301821e-01 -6.715881e-06 7.592687e-03 6.790768e-02 0.004395 0.001132 True md_ensemble 7 114 128 + CE_GB1_13 OE1_GB1_15 1 0.000000e+00 1.692269e-06 ; 2.943523e-01 -1.692269e-06 4.693742e-03 4.184814e-02 0.004395 0.001132 True md_ensemble 7 114 129 + CE_GB1_13 OE2_GB1_15 1 0.000000e+00 1.692269e-06 ; 2.943523e-01 -1.692269e-06 4.693742e-03 4.184814e-02 0.004395 0.001132 True md_ensemble 7 114 130 + CE_GB1_13 C_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 131 CE_GB1_13 O_GB1_15 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.552267e-02 0.004395 0.007862 True md_ensemble 7 114 132 - CE_GB1_13 N_GB1_16 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 133 - CE_GB1_13 OG1_GB1_16 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 137 - CE_GB1_13 C_GB1_16 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 139 + CE_GB1_13 N_GB1_16 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 133 + CE_GB1_13 OG1_GB1_16 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 137 + CE_GB1_13 C_GB1_16 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 139 CE_GB1_13 O_GB1_16 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.751740e-03 0.004395 0.007862 True md_ensemble 7 114 140 - CE_GB1_13 N_GB1_17 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 141 - CE_GB1_13 OG1_GB1_17 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 145 - CE_GB1_13 C_GB1_17 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 147 + CE_GB1_13 N_GB1_17 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 141 + CE_GB1_13 OG1_GB1_17 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 145 + CE_GB1_13 C_GB1_17 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 147 CE_GB1_13 O_GB1_17 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.446144e-03 0.004395 0.007862 True md_ensemble 7 114 148 - CE_GB1_13 N_GB1_18 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 149 - CE_GB1_13 OG1_GB1_18 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 153 - CE_GB1_13 C_GB1_18 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 155 + CE_GB1_13 N_GB1_18 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 149 + CE_GB1_13 OG1_GB1_18 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 153 + CE_GB1_13 C_GB1_18 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 155 CE_GB1_13 O_GB1_18 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.529269e-03 0.004395 0.007862 True md_ensemble 7 114 156 - CE_GB1_13 N_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 157 - CE_GB1_13 CD_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 162 - CE_GB1_13 OE1_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 163 - CE_GB1_13 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 164 - CE_GB1_13 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 165 + CE_GB1_13 N_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 157 + CE_GB1_13 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 162 + CE_GB1_13 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 163 + CE_GB1_13 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 164 + CE_GB1_13 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 165 CE_GB1_13 O_GB1_19 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.227838e-03 0.004395 0.007862 True md_ensemble 7 114 166 - CE_GB1_13 N_GB1_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 167 - CE_GB1_13 C_GB1_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 171 + CE_GB1_13 N_GB1_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 167 + CE_GB1_13 C_GB1_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 171 CE_GB1_13 O_GB1_20 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.539979e-03 0.004395 0.007862 True md_ensemble 7 114 172 - CE_GB1_13 N_GB1_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 173 - CE_GB1_13 C_GB1_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 179 + CE_GB1_13 N_GB1_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 173 + CE_GB1_13 C_GB1_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 179 CE_GB1_13 O_GB1_21 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.220914e-04 0.004395 0.007862 True md_ensemble 7 114 180 - CE_GB1_13 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 181 - CE_GB1_13 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 185 - CE_GB1_13 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 186 - CE_GB1_13 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 187 - CE_GB1_13 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 188 + CE_GB1_13 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 181 + CE_GB1_13 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 185 + CE_GB1_13 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 186 + CE_GB1_13 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 187 + CE_GB1_13 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 188 CE_GB1_13 O_GB1_22 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.144211e-04 0.004395 0.007862 True md_ensemble 7 114 189 - CE_GB1_13 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 190 - CE_GB1_13 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 194 + CE_GB1_13 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 190 + CE_GB1_13 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 194 CE_GB1_13 O_GB1_23 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.018151e-03 0.004395 0.007862 True md_ensemble 7 114 195 - CE_GB1_13 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 196 - CE_GB1_13 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 200 + CE_GB1_13 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 196 + CE_GB1_13 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 200 CE_GB1_13 O_GB1_24 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 8.039744e-04 0.004395 0.007862 True md_ensemble 7 114 201 - CE_GB1_13 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 202 - CE_GB1_13 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 206 - CE_GB1_13 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 208 + CE_GB1_13 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 202 + CE_GB1_13 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 206 + CE_GB1_13 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 208 CE_GB1_13 O_GB1_25 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.916784e-04 0.004395 0.007862 True md_ensemble 7 114 209 - CE_GB1_13 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 210 - CE_GB1_13 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 214 + CE_GB1_13 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 210 + CE_GB1_13 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 214 CE_GB1_13 O_GB1_26 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.869537e-04 0.004395 0.007862 True md_ensemble 7 114 215 - CE_GB1_13 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 216 - CE_GB1_13 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 221 - CE_GB1_13 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 222 - CE_GB1_13 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 223 - CE_GB1_13 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 224 + CE_GB1_13 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 216 + CE_GB1_13 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 221 + CE_GB1_13 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 222 + CE_GB1_13 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 223 + CE_GB1_13 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 224 CE_GB1_13 O_GB1_27 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.199779e-04 0.004395 0.007862 True md_ensemble 7 114 225 - CE_GB1_13 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 226 - CE_GB1_13 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 233 - CE_GB1_13 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 234 + CE_GB1_13 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 226 + CE_GB1_13 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 233 + CE_GB1_13 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 234 CE_GB1_13 O_GB1_28 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.123754e-04 0.004395 0.007862 True md_ensemble 7 114 235 - CE_GB1_13 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 236 - CE_GB1_13 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 242 + CE_GB1_13 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 236 + CE_GB1_13 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 242 CE_GB1_13 O_GB1_29 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.998878e-04 0.004395 0.007862 True md_ensemble 7 114 243 - CE_GB1_13 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 244 - CE_GB1_13 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 254 + CE_GB1_13 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 244 + CE_GB1_13 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 254 CE_GB1_13 O_GB1_30 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.720100e-04 0.004395 0.007862 True md_ensemble 7 114 255 - CE_GB1_13 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 256 - CE_GB1_13 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 263 - CE_GB1_13 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 264 + CE_GB1_13 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 256 + CE_GB1_13 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 263 + CE_GB1_13 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 264 CE_GB1_13 O_GB1_31 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.998669e-04 0.004395 0.007862 True md_ensemble 7 114 265 - CE_GB1_13 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 266 - CE_GB1_13 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 271 + CE_GB1_13 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 266 + CE_GB1_13 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 271 CE_GB1_13 OE1_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 8.656080e-04 0.004395 0.007862 True md_ensemble 7 114 272 - CE_GB1_13 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 273 - CE_GB1_13 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 274 + CE_GB1_13 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 273 + CE_GB1_13 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 274 CE_GB1_13 O_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.569906e-04 0.004395 0.007862 True md_ensemble 7 114 275 - CE_GB1_13 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 276 - CE_GB1_13 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 286 - CE_GB1_13 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 287 + CE_GB1_13 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 276 + CE_GB1_13 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 286 + CE_GB1_13 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 287 CE_GB1_13 O_GB1_33 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.490641e-04 0.004395 0.007862 True md_ensemble 7 114 288 - CE_GB1_13 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 289 - CE_GB1_13 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 293 + CE_GB1_13 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 289 + CE_GB1_13 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 293 CE_GB1_13 O_GB1_34 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.566463e-05 0.004395 0.007862 True md_ensemble 7 114 294 - CE_GB1_13 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 295 - CE_GB1_13 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 299 + CE_GB1_13 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 295 + CE_GB1_13 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 299 CE_GB1_13 OD1_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.561356e-04 0.004395 0.007862 True md_ensemble 7 114 300 - CE_GB1_13 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 301 - CE_GB1_13 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 302 + CE_GB1_13 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 301 + CE_GB1_13 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 302 CE_GB1_13 O_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.233383e-04 0.004395 0.007862 True md_ensemble 7 114 303 - CE_GB1_13 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 304 - CE_GB1_13 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 308 - CE_GB1_13 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 309 - CE_GB1_13 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 310 - CE_GB1_13 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 311 + CE_GB1_13 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 304 + CE_GB1_13 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 308 + CE_GB1_13 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 309 + CE_GB1_13 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 310 + CE_GB1_13 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 311 CE_GB1_13 O_GB1_36 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.000644e-04 0.004395 0.007862 True md_ensemble 7 114 312 - CE_GB1_13 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 313 - CE_GB1_13 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 317 + CE_GB1_13 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 313 + CE_GB1_13 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 317 CE_GB1_13 OD1_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.054983e-04 0.004395 0.007862 True md_ensemble 7 114 318 - CE_GB1_13 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 319 - CE_GB1_13 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 320 + CE_GB1_13 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 319 + CE_GB1_13 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 320 CE_GB1_13 O_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.999244e-04 0.004395 0.007862 True md_ensemble 7 114 321 - CE_GB1_13 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 322 - CE_GB1_13 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 325 + CE_GB1_13 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 322 + CE_GB1_13 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 325 CE_GB1_13 O_GB1_38 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.991973e-04 0.004395 0.007862 True md_ensemble 7 114 326 - CE_GB1_13 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 327 - CE_GB1_13 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 333 + CE_GB1_13 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 327 + CE_GB1_13 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 333 CE_GB1_13 O_GB1_39 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.962587e-04 0.004395 0.007862 True md_ensemble 7 114 334 - CE_GB1_13 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 335 - CE_GB1_13 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 339 - CE_GB1_13 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 340 - CE_GB1_13 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 341 - CE_GB1_13 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 342 + CE_GB1_13 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 335 + CE_GB1_13 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 339 + CE_GB1_13 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 340 + CE_GB1_13 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 341 + CE_GB1_13 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 342 CE_GB1_13 O_GB1_40 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.402377e-04 0.004395 0.007862 True md_ensemble 7 114 343 - CE_GB1_13 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 344 - CE_GB1_13 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 347 + CE_GB1_13 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 344 + CE_GB1_13 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 347 CE_GB1_13 O_GB1_41 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.058990e-04 0.004395 0.007862 True md_ensemble 7 114 348 - CE_GB1_13 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 349 - CE_GB1_13 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 354 - CE_GB1_13 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 355 - CE_GB1_13 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 356 - CE_GB1_13 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 357 + CE_GB1_13 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 349 + CE_GB1_13 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 354 + CE_GB1_13 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 355 + CE_GB1_13 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 356 + CE_GB1_13 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 357 CE_GB1_13 O_GB1_42 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.000179e-04 0.004395 0.007862 True md_ensemble 7 114 358 - CE_GB1_13 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 359 - CE_GB1_13 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 366 - CE_GB1_13 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 372 + CE_GB1_13 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 359 + CE_GB1_13 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 366 + CE_GB1_13 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 372 CE_GB1_13 O_GB1_43 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.991165e-05 0.004395 0.007862 True md_ensemble 7 114 373 - CE_GB1_13 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 374 - CE_GB1_13 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 378 - CE_GB1_13 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 380 + CE_GB1_13 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 374 + CE_GB1_13 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 378 + CE_GB1_13 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 380 CE_GB1_13 O_GB1_44 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000249e-04 0.004395 0.007862 True md_ensemble 7 114 381 - CE_GB1_13 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 382 - CE_GB1_13 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 392 - CE_GB1_13 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 393 + CE_GB1_13 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 382 + CE_GB1_13 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 392 + CE_GB1_13 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 393 CE_GB1_13 O_GB1_45 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.997813e-04 0.004395 0.007862 True md_ensemble 7 114 394 - CE_GB1_13 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 395 - CE_GB1_13 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 399 - CE_GB1_13 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 400 - CE_GB1_13 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 401 - CE_GB1_13 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 402 + CE_GB1_13 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 395 + CE_GB1_13 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 399 + CE_GB1_13 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 400 + CE_GB1_13 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 401 + CE_GB1_13 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 402 CE_GB1_13 O_GB1_46 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000653e-04 0.004395 0.007862 True md_ensemble 7 114 403 - CE_GB1_13 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 404 - CE_GB1_13 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 408 - CE_GB1_13 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 409 - CE_GB1_13 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 410 - CE_GB1_13 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 411 + CE_GB1_13 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 404 + CE_GB1_13 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 408 + CE_GB1_13 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 409 + CE_GB1_13 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 410 + CE_GB1_13 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 411 CE_GB1_13 O_GB1_47 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 114 412 - CE_GB1_13 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 413 - CE_GB1_13 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 417 + CE_GB1_13 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 413 + CE_GB1_13 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 417 CE_GB1_13 O_GB1_48 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.821542e-04 0.004395 0.007862 True md_ensemble 7 114 418 - CE_GB1_13 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 419 - CE_GB1_13 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 423 - CE_GB1_13 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 425 + CE_GB1_13 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 419 + CE_GB1_13 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 423 + CE_GB1_13 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 425 CE_GB1_13 O_GB1_49 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 114 426 - CE_GB1_13 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 427 - CE_GB1_13 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 434 - CE_GB1_13 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 435 + CE_GB1_13 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 427 + CE_GB1_13 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 434 + CE_GB1_13 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 435 CE_GB1_13 O_GB1_50 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.105322e-04 0.004395 0.007862 True md_ensemble 7 114 436 - CE_GB1_13 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 437 - CE_GB1_13 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 441 - CE_GB1_13 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 443 + CE_GB1_13 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 437 + CE_GB1_13 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 441 + CE_GB1_13 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 443 CE_GB1_13 O_GB1_51 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.000208e-04 0.004395 0.007862 True md_ensemble 7 114 444 - CE_GB1_13 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 445 - CE_GB1_13 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 455 + CE_GB1_13 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 445 + CE_GB1_13 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 455 CE_GB1_13 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.447299e-04 0.004395 0.007862 True md_ensemble 7 114 456 - CE_GB1_13 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 457 - CE_GB1_13 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 461 - CE_GB1_13 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 463 + CE_GB1_13 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 457 + CE_GB1_13 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 461 + CE_GB1_13 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 463 CE_GB1_13 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.896850e-05 0.004395 0.007862 True md_ensemble 7 114 464 - CE_GB1_13 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 465 - CE_GB1_13 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 471 + CE_GB1_13 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 465 + CE_GB1_13 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 471 CE_GB1_13 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000346e-04 0.004395 0.007862 True md_ensemble 7 114 472 - CE_GB1_13 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 473 - CE_GB1_13 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 477 - CE_GB1_13 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 479 + CE_GB1_13 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 473 + CE_GB1_13 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 477 + CE_GB1_13 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 479 CE_GB1_13 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.998709e-04 0.004395 0.007862 True md_ensemble 7 114 480 - CE_GB1_13 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 481 - CE_GB1_13 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 486 - CE_GB1_13 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 487 - CE_GB1_13 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 488 - CE_GB1_13 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 489 - CE_GB1_13 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 490 - CE_GB1_13 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 491 + CE_GB1_13 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 481 + CE_GB1_13 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 486 + CE_GB1_13 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 487 + CE_GB1_13 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 488 + CE_GB1_13 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 489 + CE_GB1_13 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 490 + CE_GB1_13 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 114 491 NZ_GB1_13 NZ_GB1_13 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 115 NZ_GB1_13 C_GB1_13 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 1.941530e-03 1.361641e-02 0.004395 0.001132 True md_ensemble 6 115 116 NZ_GB1_13 N_GB1_14 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 9.849350e-04 2.714672e-03 0.004395 0.001132 True md_ensemble 7 115 118 - NZ_GB1_13 CA_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 120 + NZ_GB1_13 CA_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 120 NZ_GB1_13 N_GB1_15 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.310825e-04 2.019604e-03 0.004395 0.001132 True md_ensemble 7 115 123 - NZ_GB1_13 CB_GB1_15 1 0.000000e+00 3.743467e-06 ; 3.144859e-01 -3.743467e-06 4.685265e-03 2.301613e-02 0.004395 0.001132 True md_ensemble 7 115 126 - NZ_GB1_13 CG_GB1_15 1 0.000000e+00 3.758749e-06 ; 3.145927e-01 -3.758749e-06 4.704525e-03 2.719233e-02 0.004395 0.001132 True md_ensemble 7 115 127 - NZ_GB1_13 CD_GB1_15 1 0.000000e+00 1.544335e-06 ; 2.921170e-01 -1.544335e-06 4.702412e-03 2.869595e-02 0.004395 0.011584 True md_ensemble 7 115 128 + NZ_GB1_13 CB_GB1_15 1 0.000000e+00 3.743418e-06 ; 3.144856e-01 -3.743418e-06 4.685265e-03 2.301613e-02 0.004395 0.001132 True md_ensemble 7 115 126 + NZ_GB1_13 CG_GB1_15 1 0.000000e+00 3.758699e-06 ; 3.145923e-01 -3.758699e-06 4.704525e-03 2.719233e-02 0.004395 0.001132 True md_ensemble 7 115 127 + NZ_GB1_13 CD_GB1_15 1 0.000000e+00 1.544313e-06 ; 2.921166e-01 -1.544313e-06 4.702412e-03 2.869595e-02 0.004395 0.011584 True md_ensemble 7 115 128 NZ_GB1_13 N_GB1_16 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 8.076595e-04 0.004395 0.001132 True md_ensemble 7 115 133 - NZ_GB1_13 CB_GB1_16 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 136 - NZ_GB1_13 CG2_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 138 + NZ_GB1_13 CB_GB1_16 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 136 + NZ_GB1_13 CG2_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 138 NZ_GB1_13 N_GB1_17 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 2.638446e-04 0.004395 0.001132 True md_ensemble 7 115 141 - NZ_GB1_13 CB_GB1_17 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 144 - NZ_GB1_13 CG2_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 146 + NZ_GB1_13 CB_GB1_17 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 144 + NZ_GB1_13 CG2_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 146 NZ_GB1_13 N_GB1_18 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 6.743113e-04 0.004395 0.001132 True md_ensemble 7 115 149 - NZ_GB1_13 CB_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 152 - NZ_GB1_13 CG2_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 154 + NZ_GB1_13 CB_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 152 + NZ_GB1_13 CG2_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 154 NZ_GB1_13 N_GB1_19 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 3.608124e-04 0.004395 0.001132 True md_ensemble 7 115 157 - NZ_GB1_13 CB_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 160 - NZ_GB1_13 CG_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 161 + NZ_GB1_13 CB_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 160 + NZ_GB1_13 CG_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 161 NZ_GB1_13 N_GB1_20 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.382920e-04 0.004395 0.001132 True md_ensemble 7 115 167 - NZ_GB1_13 CB_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 170 + NZ_GB1_13 CB_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 170 NZ_GB1_13 N_GB1_21 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 3.148982e-04 0.004395 0.001132 True md_ensemble 7 115 173 - NZ_GB1_13 CB_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 176 - NZ_GB1_13 CG1_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 177 - NZ_GB1_13 CG2_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 178 + NZ_GB1_13 CB_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 176 + NZ_GB1_13 CG1_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 177 + NZ_GB1_13 CG2_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 178 NZ_GB1_13 N_GB1_22 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.883616e-04 0.004395 0.001132 True md_ensemble 7 115 181 - NZ_GB1_13 CB_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 184 + NZ_GB1_13 CB_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 184 NZ_GB1_13 N_GB1_23 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 2.999674e-04 0.004395 0.001132 True md_ensemble 7 115 190 - NZ_GB1_13 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 193 + NZ_GB1_13 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 193 NZ_GB1_13 N_GB1_24 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 2.829614e-04 0.004395 0.001132 True md_ensemble 7 115 196 - NZ_GB1_13 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 199 + NZ_GB1_13 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 199 NZ_GB1_13 N_GB1_25 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.612925e-04 0.004395 0.001132 True md_ensemble 7 115 202 - NZ_GB1_13 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 205 - NZ_GB1_13 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 207 + NZ_GB1_13 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 205 + NZ_GB1_13 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 207 NZ_GB1_13 N_GB1_26 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 9.342995e-06 0.004395 0.001132 True md_ensemble 7 115 210 - NZ_GB1_13 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 213 + NZ_GB1_13 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 213 NZ_GB1_13 N_GB1_27 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 2.959515e-05 0.004395 0.001132 True md_ensemble 7 115 216 - NZ_GB1_13 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 219 - NZ_GB1_13 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 220 + NZ_GB1_13 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 219 + NZ_GB1_13 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 220 NZ_GB1_13 N_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 2.892636e-05 0.004395 0.001132 True md_ensemble 7 115 226 - NZ_GB1_13 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 229 - NZ_GB1_13 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 230 - NZ_GB1_13 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 231 - NZ_GB1_13 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 232 + NZ_GB1_13 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 229 + NZ_GB1_13 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 230 + NZ_GB1_13 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 231 + NZ_GB1_13 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 232 NZ_GB1_13 NZ_GB1_28 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 233 NZ_GB1_13 N_GB1_29 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.000501e-04 0.004395 0.001132 True md_ensemble 7 115 236 - NZ_GB1_13 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 239 - NZ_GB1_13 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 240 - NZ_GB1_13 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 241 + NZ_GB1_13 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 239 + NZ_GB1_13 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 240 + NZ_GB1_13 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 241 NZ_GB1_13 N_GB1_30 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 8.967795e-05 0.004395 0.001132 True md_ensemble 7 115 244 - NZ_GB1_13 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 247 + NZ_GB1_13 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 247 NZ_GB1_13 N_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 5.445732e-05 0.004395 0.001132 True md_ensemble 7 115 256 - NZ_GB1_13 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 259 - NZ_GB1_13 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 260 - NZ_GB1_13 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 261 - NZ_GB1_13 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 262 + NZ_GB1_13 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 259 + NZ_GB1_13 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 260 + NZ_GB1_13 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 261 + NZ_GB1_13 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 262 NZ_GB1_13 NZ_GB1_31 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 263 NZ_GB1_13 N_GB1_32 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 5.530744e-05 0.004395 0.001132 True md_ensemble 7 115 266 - NZ_GB1_13 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 269 - NZ_GB1_13 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 270 + NZ_GB1_13 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 269 + NZ_GB1_13 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 270 NZ_GB1_13 N_GB1_33 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 9.868161e-05 0.004395 0.001132 True md_ensemble 7 115 276 - NZ_GB1_13 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 279 + NZ_GB1_13 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 279 NZ_GB1_13 N_GB1_34 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.294286e-04 0.004395 0.001132 True md_ensemble 7 115 289 - NZ_GB1_13 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 292 + NZ_GB1_13 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 292 NZ_GB1_13 N_GB1_35 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 115 295 - NZ_GB1_13 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 298 + NZ_GB1_13 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 298 NZ_GB1_13 N_GB1_36 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 8.612340e-07 0.004395 0.001132 True md_ensemble 7 115 304 - NZ_GB1_13 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 307 + NZ_GB1_13 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 307 NZ_GB1_13 N_GB1_37 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 115 313 - NZ_GB1_13 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 316 + NZ_GB1_13 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 316 NZ_GB1_13 N_GB1_38 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 115 322 - NZ_GB1_13 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 324 + NZ_GB1_13 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 324 NZ_GB1_13 N_GB1_39 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 115 327 - NZ_GB1_13 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 330 - NZ_GB1_13 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 331 - NZ_GB1_13 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 332 + NZ_GB1_13 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 330 + NZ_GB1_13 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 331 + NZ_GB1_13 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 332 NZ_GB1_13 N_GB1_40 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.544372e-04 0.004395 0.001132 True md_ensemble 7 115 335 - NZ_GB1_13 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 338 + NZ_GB1_13 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 338 NZ_GB1_13 N_GB1_41 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 4.571050e-04 0.004395 0.001132 True md_ensemble 7 115 344 - NZ_GB1_13 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 346 + NZ_GB1_13 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 346 NZ_GB1_13 N_GB1_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 115 349 - NZ_GB1_13 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 352 - NZ_GB1_13 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 353 + NZ_GB1_13 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 352 + NZ_GB1_13 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 353 NZ_GB1_13 N_GB1_43 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 115 359 - NZ_GB1_13 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 362 + NZ_GB1_13 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 362 NZ_GB1_13 N_GB1_44 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 115 374 - NZ_GB1_13 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 377 - NZ_GB1_13 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 379 + NZ_GB1_13 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 377 + NZ_GB1_13 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 379 NZ_GB1_13 N_GB1_45 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 115 382 - NZ_GB1_13 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 385 + NZ_GB1_13 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 385 NZ_GB1_13 N_GB1_46 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 2.658841e-05 0.004395 0.001132 True md_ensemble 7 115 395 - NZ_GB1_13 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 398 + NZ_GB1_13 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 398 NZ_GB1_13 N_GB1_47 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 9.935650e-07 0.004395 0.001132 True md_ensemble 7 115 404 - NZ_GB1_13 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 407 + NZ_GB1_13 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 407 NZ_GB1_13 N_GB1_48 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 115 413 - NZ_GB1_13 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 416 + NZ_GB1_13 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 416 NZ_GB1_13 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 9.999757e-05 0.004395 0.001132 True md_ensemble 7 115 419 - NZ_GB1_13 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 422 - NZ_GB1_13 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 424 + NZ_GB1_13 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 422 + NZ_GB1_13 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 424 NZ_GB1_13 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 115 427 - NZ_GB1_13 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 430 - NZ_GB1_13 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 431 - NZ_GB1_13 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 432 - NZ_GB1_13 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 433 + NZ_GB1_13 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 430 + NZ_GB1_13 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 431 + NZ_GB1_13 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 432 + NZ_GB1_13 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 433 NZ_GB1_13 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 434 NZ_GB1_13 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 115 437 - NZ_GB1_13 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 440 - NZ_GB1_13 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 442 + NZ_GB1_13 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 440 + NZ_GB1_13 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 442 NZ_GB1_13 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.710818e-05 0.004395 0.001132 True md_ensemble 7 115 445 - NZ_GB1_13 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 448 + NZ_GB1_13 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 448 NZ_GB1_13 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 9.991006e-05 0.004395 0.001132 True md_ensemble 7 115 457 - NZ_GB1_13 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 460 - NZ_GB1_13 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 462 + NZ_GB1_13 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 460 + NZ_GB1_13 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 462 NZ_GB1_13 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 6.787565e-08 0.004395 0.001132 True md_ensemble 7 115 465 - NZ_GB1_13 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 468 - NZ_GB1_13 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 469 - NZ_GB1_13 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 470 + NZ_GB1_13 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 468 + NZ_GB1_13 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 469 + NZ_GB1_13 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 470 NZ_GB1_13 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 115 473 - NZ_GB1_13 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 476 - NZ_GB1_13 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 478 + NZ_GB1_13 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 476 + NZ_GB1_13 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 478 NZ_GB1_13 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 115 481 - NZ_GB1_13 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 484 - NZ_GB1_13 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 485 - C_GB1_13 CA_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 120 - C_GB1_13 O_GB1_14 1 0.000000e+00 5.771687e-07 ; 2.691144e-01 -5.771687e-07 9.982871e-01 6.962418e-01 0.004395 0.001132 True md_ensemble 4 116 122 - C_GB1_13 N_GB1_15 1 0.000000e+00 2.186460e-06 ; 3.007046e-01 -2.186460e-06 5.009549e-01 9.507193e-01 0.004395 0.001132 True md_ensemble 4 116 123 - C_GB1_13 CA_GB1_15 1 0.000000e+00 2.251718e-05 ; 3.652059e-01 -2.251718e-05 9.881068e-02 8.240184e-01 0.004395 0.001132 True md_ensemble 5 116 125 - C_GB1_13 CB_GB1_15 1 0.000000e+00 8.500805e-06 ; 3.367312e-01 -8.500805e-06 5.116500e-03 3.472158e-01 0.004395 0.001132 True md_ensemble 6 116 126 - C_GB1_13 CG_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 127 + NZ_GB1_13 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 484 + NZ_GB1_13 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 115 485 + C_GB1_13 CA_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 120 + C_GB1_13 O_GB1_14 1 0.000000e+00 5.771660e-07 ; 2.691143e-01 -5.771660e-07 9.982871e-01 6.962418e-01 0.004395 0.001132 True md_ensemble 4 116 122 + C_GB1_13 N_GB1_15 1 0.000000e+00 2.186430e-06 ; 3.007043e-01 -2.186430e-06 5.009549e-01 9.507193e-01 0.004395 0.001132 True md_ensemble 4 116 123 + C_GB1_13 CA_GB1_15 1 0.000000e+00 2.251706e-05 ; 3.652058e-01 -2.251706e-05 9.881068e-02 8.240184e-01 0.004395 0.001132 True md_ensemble 5 116 125 + C_GB1_13 CB_GB1_15 1 0.000000e+00 8.500662e-06 ; 3.367307e-01 -8.500662e-06 5.116500e-03 3.472158e-01 0.004395 0.001132 True md_ensemble 6 116 126 + C_GB1_13 CG_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 127 C_GB1_13 C_GB1_15 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 0.000000e+00 8.105995e-02 0.004395 0.001132 True md_ensemble 6 116 131 - C_GB1_13 CB_GB1_16 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 136 - C_GB1_13 CG2_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 138 - C_GB1_13 CB_GB1_17 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 144 - C_GB1_13 CG2_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 146 - C_GB1_13 CB_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 152 - C_GB1_13 CG2_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 154 - C_GB1_13 CB_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 160 - C_GB1_13 CG_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 161 - C_GB1_13 CB_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 170 - C_GB1_13 CB_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 176 - C_GB1_13 CG1_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 177 - C_GB1_13 CG2_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 178 - C_GB1_13 CB_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 184 - C_GB1_13 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 193 - C_GB1_13 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 199 - C_GB1_13 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 205 - C_GB1_13 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 207 - C_GB1_13 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 213 - C_GB1_13 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 219 - C_GB1_13 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 220 - C_GB1_13 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 229 - C_GB1_13 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 230 - C_GB1_13 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 231 - C_GB1_13 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 232 - C_GB1_13 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 239 - C_GB1_13 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 240 - C_GB1_13 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 241 - C_GB1_13 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 247 - C_GB1_13 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 259 - C_GB1_13 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 260 - C_GB1_13 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 261 - C_GB1_13 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 262 - C_GB1_13 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 269 - C_GB1_13 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 270 - C_GB1_13 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 279 - C_GB1_13 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 292 - C_GB1_13 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 298 - C_GB1_13 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 307 - C_GB1_13 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 316 - C_GB1_13 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 324 - C_GB1_13 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 330 - C_GB1_13 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 331 - C_GB1_13 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 332 - C_GB1_13 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 338 - C_GB1_13 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 346 - C_GB1_13 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 352 - C_GB1_13 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 353 - C_GB1_13 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 362 - C_GB1_13 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 377 - C_GB1_13 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 379 - C_GB1_13 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 385 - C_GB1_13 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 398 - C_GB1_13 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 407 - C_GB1_13 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 416 - C_GB1_13 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 422 - C_GB1_13 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 424 - C_GB1_13 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 430 - C_GB1_13 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 431 - C_GB1_13 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 432 - C_GB1_13 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 433 - C_GB1_13 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 440 - C_GB1_13 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 442 - C_GB1_13 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 448 - C_GB1_13 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 460 - C_GB1_13 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 462 - C_GB1_13 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 468 - C_GB1_13 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 469 - C_GB1_13 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 470 - C_GB1_13 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 476 - C_GB1_13 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 478 - C_GB1_13 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 484 - C_GB1_13 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 485 + C_GB1_13 CB_GB1_16 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 136 + C_GB1_13 CG2_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 138 + C_GB1_13 CB_GB1_17 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 144 + C_GB1_13 CG2_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 146 + C_GB1_13 CB_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 152 + C_GB1_13 CG2_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 154 + C_GB1_13 CB_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 160 + C_GB1_13 CG_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 161 + C_GB1_13 CB_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 170 + C_GB1_13 CB_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 176 + C_GB1_13 CG1_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 177 + C_GB1_13 CG2_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 178 + C_GB1_13 CB_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 184 + C_GB1_13 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 193 + C_GB1_13 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 199 + C_GB1_13 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 205 + C_GB1_13 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 207 + C_GB1_13 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 213 + C_GB1_13 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 219 + C_GB1_13 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 220 + C_GB1_13 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 229 + C_GB1_13 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 230 + C_GB1_13 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 231 + C_GB1_13 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 232 + C_GB1_13 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 239 + C_GB1_13 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 240 + C_GB1_13 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 241 + C_GB1_13 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 247 + C_GB1_13 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 259 + C_GB1_13 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 260 + C_GB1_13 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 261 + C_GB1_13 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 262 + C_GB1_13 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 269 + C_GB1_13 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 270 + C_GB1_13 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 279 + C_GB1_13 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 292 + C_GB1_13 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 298 + C_GB1_13 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 307 + C_GB1_13 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 316 + C_GB1_13 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 324 + C_GB1_13 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 330 + C_GB1_13 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 331 + C_GB1_13 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 332 + C_GB1_13 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 338 + C_GB1_13 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 346 + C_GB1_13 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 352 + C_GB1_13 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 353 + C_GB1_13 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 362 + C_GB1_13 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 377 + C_GB1_13 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 379 + C_GB1_13 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 385 + C_GB1_13 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 398 + C_GB1_13 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 407 + C_GB1_13 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 416 + C_GB1_13 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 422 + C_GB1_13 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 424 + C_GB1_13 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 430 + C_GB1_13 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 431 + C_GB1_13 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 432 + C_GB1_13 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 433 + C_GB1_13 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 440 + C_GB1_13 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 442 + C_GB1_13 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 448 + C_GB1_13 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 460 + C_GB1_13 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 462 + C_GB1_13 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 468 + C_GB1_13 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 469 + C_GB1_13 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 470 + C_GB1_13 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 476 + C_GB1_13 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 478 + C_GB1_13 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 484 + C_GB1_13 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 116 485 O_GB1_13 O_GB1_13 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 117 117 O_GB1_13 H_GB1_14 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 117 119 O_GB1_13 CA_GB1_14 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 117 120 - O_GB1_13 C_GB1_14 1 0.000000e+00 8.260210e-07 ; 2.772751e-01 -8.260210e-07 9.992417e-01 9.981269e-01 0.004395 0.001132 True md_ensemble 4 117 121 + O_GB1_13 C_GB1_14 1 0.000000e+00 8.260172e-07 ; 2.772750e-01 -8.260172e-07 9.992417e-01 9.981269e-01 0.004395 0.001132 True md_ensemble 4 117 121 O_GB1_13 O_GB1_14 1 0.000000e+00 1.749005e-06 ; 2.951623e-01 -1.749005e-06 5.784766e-01 7.444798e-01 0.004395 0.001132 True md_ensemble 5 117 122 O_GB1_13 N_GB1_15 1 0.000000e+00 2.432713e-06 ; 3.033909e-01 -2.432713e-06 2.327554e-01 8.545642e-01 0.004395 0.001132 True md_ensemble 5 117 123 O_GB1_13 H_GB1_15 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 117 124 - O_GB1_13 CA_GB1_15 1 0.000000e+00 5.804309e-06 ; 3.261927e-01 -5.804309e-06 3.760673e-02 4.350586e-01 0.004395 0.001132 True md_ensemble 6 117 125 - O_GB1_13 CB_GB1_15 1 0.000000e+00 2.162424e-06 ; 3.004278e-01 -2.162424e-06 1.338295e-02 8.619691e-02 0.004395 0.007862 True md_ensemble 7 117 126 - O_GB1_13 CG_GB1_15 1 0.000000e+00 2.235593e-06 ; 3.012620e-01 -2.235593e-06 4.450457e-03 1.135646e-01 0.004395 0.007862 True md_ensemble 7 117 127 + O_GB1_13 CA_GB1_15 1 0.000000e+00 5.804355e-06 ; 3.261929e-01 -5.804355e-06 3.760673e-02 4.350586e-01 0.004395 0.001132 True md_ensemble 6 117 125 + O_GB1_13 CB_GB1_15 1 0.000000e+00 2.162416e-06 ; 3.004277e-01 -2.162416e-06 1.338295e-02 8.619691e-02 0.004395 0.007862 True md_ensemble 7 117 126 + O_GB1_13 CG_GB1_15 1 0.000000e+00 2.235585e-06 ; 3.012619e-01 -2.235585e-06 4.450457e-03 1.135646e-01 0.004395 0.007862 True md_ensemble 7 117 127 O_GB1_13 OE1_GB1_15 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 117 129 O_GB1_13 OE2_GB1_15 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 117 130 O_GB1_13 O_GB1_15 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 117 132 @@ -19454,129 +19454,129 @@ CD2_GB1_12 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- O_GB1_13 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 117 488 O_GB1_13 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 117 490 O_GB1_13 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 117 491 - N_GB1_14 CA_GB1_14 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 120 - N_GB1_14 CA_GB1_15 1 0.000000e+00 7.574615e-06 ; 3.335096e-01 -7.574615e-06 9.999992e-01 9.999490e-01 0.004395 0.001132 True md_ensemble 4 118 125 - N_GB1_14 CB_GB1_15 1 0.000000e+00 5.770842e-06 ; 3.260355e-01 -5.770842e-06 8.633190e-03 5.784682e-01 0.004395 0.001132 True md_ensemble 5 118 126 - N_GB1_14 CG_GB1_15 1 0.000000e+00 4.780194e-06 ; 3.209584e-01 -4.780194e-06 4.485622e-03 3.048360e-01 0.004395 0.001132 True md_ensemble 6 118 127 + N_GB1_14 CA_GB1_14 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 120 + N_GB1_14 CA_GB1_15 1 0.000000e+00 7.574603e-06 ; 3.335096e-01 -7.574603e-06 9.999992e-01 9.999490e-01 0.004395 0.001132 True md_ensemble 4 118 125 + N_GB1_14 CB_GB1_15 1 0.000000e+00 5.770766e-06 ; 3.260352e-01 -5.770766e-06 8.633190e-03 5.784682e-01 0.004395 0.001132 True md_ensemble 5 118 126 + N_GB1_14 CG_GB1_15 1 0.000000e+00 4.780131e-06 ; 3.209581e-01 -4.780131e-06 4.485622e-03 3.048360e-01 0.004395 0.001132 True md_ensemble 6 118 127 N_GB1_14 C_GB1_15 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 0.000000e+00 8.864411e-02 0.004395 0.001132 True md_ensemble 5 118 131 N_GB1_14 O_GB1_15 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 0.000000e+00 1.086553e-01 0.004395 0.001132 True md_ensemble 6 118 132 N_GB1_14 N_GB1_16 1 0.000000e+00 8.752940e-07 ; 2.786171e-01 -8.752940e-07 0.000000e+00 9.763235e-02 0.004395 0.001132 True md_ensemble 6 118 133 - N_GB1_14 CB_GB1_16 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 136 - N_GB1_14 CG2_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 138 + N_GB1_14 CB_GB1_16 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 136 + N_GB1_14 CG2_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 138 N_GB1_14 N_GB1_17 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.384452e-03 0.004395 0.001132 True md_ensemble 7 118 141 - N_GB1_14 CB_GB1_17 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 144 - N_GB1_14 CG2_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 146 + N_GB1_14 CB_GB1_17 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 144 + N_GB1_14 CG2_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 146 N_GB1_14 N_GB1_18 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.021907e-04 0.004395 0.001132 True md_ensemble 7 118 149 - N_GB1_14 CB_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 152 - N_GB1_14 CG2_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 154 + N_GB1_14 CB_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 152 + N_GB1_14 CG2_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 154 N_GB1_14 N_GB1_19 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 3.544429e-05 0.004395 0.001132 True md_ensemble 7 118 157 - N_GB1_14 CB_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 160 - N_GB1_14 CG_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 161 + N_GB1_14 CB_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 160 + N_GB1_14 CG_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 161 N_GB1_14 N_GB1_20 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 118 167 - N_GB1_14 CB_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 170 + N_GB1_14 CB_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 170 N_GB1_14 N_GB1_21 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 5.206803e-05 0.004395 0.001132 True md_ensemble 7 118 173 - N_GB1_14 CB_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 176 - N_GB1_14 CG1_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 177 - N_GB1_14 CG2_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 178 + N_GB1_14 CB_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 176 + N_GB1_14 CG1_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 177 + N_GB1_14 CG2_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 178 N_GB1_14 N_GB1_22 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.100898e-04 0.004395 0.001132 True md_ensemble 7 118 181 - N_GB1_14 CB_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 184 + N_GB1_14 CB_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 184 N_GB1_14 N_GB1_23 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 118 190 - N_GB1_14 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 193 + N_GB1_14 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 193 N_GB1_14 N_GB1_24 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.645984e-04 0.004395 0.001132 True md_ensemble 7 118 196 - N_GB1_14 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 199 + N_GB1_14 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 199 N_GB1_14 N_GB1_25 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 118 202 - N_GB1_14 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 205 - N_GB1_14 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 207 + N_GB1_14 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 205 + N_GB1_14 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 207 N_GB1_14 N_GB1_26 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 118 210 - N_GB1_14 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 213 + N_GB1_14 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 213 N_GB1_14 N_GB1_27 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 118 216 - N_GB1_14 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 219 - N_GB1_14 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 220 + N_GB1_14 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 219 + N_GB1_14 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 220 N_GB1_14 N_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 118 226 - N_GB1_14 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 229 - N_GB1_14 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 230 - N_GB1_14 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 231 - N_GB1_14 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 232 + N_GB1_14 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 229 + N_GB1_14 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 230 + N_GB1_14 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 231 + N_GB1_14 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 232 N_GB1_14 NZ_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 3.572615e-04 0.004395 0.001132 True md_ensemble 7 118 233 N_GB1_14 N_GB1_29 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 118 236 - N_GB1_14 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 239 - N_GB1_14 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 240 - N_GB1_14 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 241 + N_GB1_14 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 239 + N_GB1_14 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 240 + N_GB1_14 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 241 N_GB1_14 N_GB1_30 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 118 244 - N_GB1_14 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 247 + N_GB1_14 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 247 N_GB1_14 N_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 118 256 - N_GB1_14 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 259 - N_GB1_14 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 260 - N_GB1_14 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 261 - N_GB1_14 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 262 + N_GB1_14 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 259 + N_GB1_14 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 260 + N_GB1_14 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 261 + N_GB1_14 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 262 N_GB1_14 NZ_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 5.080999e-05 0.004395 0.001132 True md_ensemble 7 118 263 N_GB1_14 N_GB1_32 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.000085e-04 0.004395 0.001132 True md_ensemble 7 118 266 - N_GB1_14 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 269 - N_GB1_14 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 270 + N_GB1_14 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 269 + N_GB1_14 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 270 N_GB1_14 N_GB1_33 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.928960e-04 0.004395 0.001132 True md_ensemble 7 118 276 - N_GB1_14 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 279 + N_GB1_14 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 279 N_GB1_14 N_GB1_34 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.474173e-06 0.004395 0.001132 True md_ensemble 7 118 289 - N_GB1_14 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 292 + N_GB1_14 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 292 N_GB1_14 N_GB1_35 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 118 295 - N_GB1_14 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 298 + N_GB1_14 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 298 N_GB1_14 N_GB1_36 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 118 304 - N_GB1_14 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 307 + N_GB1_14 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 307 N_GB1_14 N_GB1_37 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 118 313 - N_GB1_14 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 316 + N_GB1_14 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 316 N_GB1_14 OD1_GB1_37 1 1.771261e-04 1.072231e-07 ; 2.908490e-01 7.315041e-02 4.671830e-03 1.890884e-04 0.004395 0.011584 True md_ensemble 7 118 318 N_GB1_14 N_GB1_38 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 118 322 - N_GB1_14 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 324 + N_GB1_14 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 324 N_GB1_14 N_GB1_39 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 118 327 - N_GB1_14 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 330 - N_GB1_14 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 331 - N_GB1_14 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 332 + N_GB1_14 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 330 + N_GB1_14 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 331 + N_GB1_14 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 332 N_GB1_14 N_GB1_40 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 118 335 - N_GB1_14 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 338 + N_GB1_14 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 338 N_GB1_14 N_GB1_41 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 118 344 - N_GB1_14 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 346 + N_GB1_14 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 346 N_GB1_14 N_GB1_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 118 349 - N_GB1_14 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 352 - N_GB1_14 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 353 + N_GB1_14 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 352 + N_GB1_14 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 353 N_GB1_14 N_GB1_43 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 118 359 - N_GB1_14 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 362 + N_GB1_14 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 362 N_GB1_14 N_GB1_44 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 118 374 - N_GB1_14 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 377 - N_GB1_14 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 379 + N_GB1_14 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 377 + N_GB1_14 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 379 N_GB1_14 N_GB1_45 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 118 382 - N_GB1_14 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 385 + N_GB1_14 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 385 N_GB1_14 N_GB1_46 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 118 395 - N_GB1_14 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 398 + N_GB1_14 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 398 N_GB1_14 N_GB1_47 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 118 404 - N_GB1_14 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 407 + N_GB1_14 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 407 N_GB1_14 N_GB1_48 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 118 413 - N_GB1_14 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 416 + N_GB1_14 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 416 N_GB1_14 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 118 419 - N_GB1_14 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 422 - N_GB1_14 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 424 + N_GB1_14 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 422 + N_GB1_14 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 424 N_GB1_14 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 118 427 - N_GB1_14 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 430 - N_GB1_14 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 431 - N_GB1_14 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 432 - N_GB1_14 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 433 + N_GB1_14 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 430 + N_GB1_14 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 431 + N_GB1_14 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 432 + N_GB1_14 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 433 N_GB1_14 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 118 434 N_GB1_14 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 118 437 - N_GB1_14 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 440 - N_GB1_14 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 442 + N_GB1_14 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 440 + N_GB1_14 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 442 N_GB1_14 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 6.463270e-07 0.004395 0.001132 True md_ensemble 7 118 445 - N_GB1_14 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 448 + N_GB1_14 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 448 N_GB1_14 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 118 457 - N_GB1_14 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 460 - N_GB1_14 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 462 + N_GB1_14 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 460 + N_GB1_14 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 462 N_GB1_14 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 118 465 - N_GB1_14 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 468 - N_GB1_14 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 469 - N_GB1_14 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 470 + N_GB1_14 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 468 + N_GB1_14 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 469 + N_GB1_14 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 470 N_GB1_14 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 118 473 - N_GB1_14 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 476 - N_GB1_14 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 478 + N_GB1_14 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 476 + N_GB1_14 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 478 N_GB1_14 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 118 481 - N_GB1_14 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 484 - N_GB1_14 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 485 + N_GB1_14 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 484 + N_GB1_14 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 118 485 H_GB1_14 H_GB1_14 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 119 119 H_GB1_14 O_GB1_14 1 1.047132e-05 3.687933e-10 ; 1.810493e-01 7.432930e-02 9.186677e-01 2.174985e-01 0.004395 0.001132 True md_ensemble 4 119 122 H_GB1_14 H_GB1_15 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 119 124 @@ -19698,294 +19698,294 @@ CD2_GB1_12 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- H_GB1_14 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 119 488 H_GB1_14 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 119 490 H_GB1_14 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 119 491 - CA_GB1_14 C_GB1_14 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 121 + CA_GB1_14 C_GB1_14 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 121 CA_GB1_14 O_GB1_14 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 122 - CA_GB1_14 N_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 123 - CA_GB1_14 CB_GB1_15 1 0.000000e+00 1.543885e-05 ; 3.538992e-01 -1.543885e-05 9.999960e-01 9.999926e-01 0.004395 0.001132 True md_ensemble 4 120 126 - CA_GB1_14 CG_GB1_15 1 0.000000e+00 1.918874e-05 ; 3.603702e-01 -1.918874e-05 4.947183e-01 7.376010e-01 0.004395 0.001132 True md_ensemble 5 120 127 - CA_GB1_14 CD_GB1_15 1 0.000000e+00 6.366916e-06 ; 3.287172e-01 -6.366916e-06 1.388386e-02 1.908678e-02 0.004395 0.001132 True md_ensemble 6 120 128 + CA_GB1_14 N_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 123 + CA_GB1_14 CB_GB1_15 1 0.000000e+00 1.543860e-05 ; 3.538987e-01 -1.543860e-05 9.999960e-01 9.999926e-01 0.004395 0.001132 True md_ensemble 4 120 126 + CA_GB1_14 CG_GB1_15 1 0.000000e+00 1.918844e-05 ; 3.603697e-01 -1.918844e-05 4.947183e-01 7.376010e-01 0.004395 0.001132 True md_ensemble 5 120 127 + CA_GB1_14 CD_GB1_15 1 0.000000e+00 6.366809e-06 ; 3.287167e-01 -6.366809e-06 1.388386e-02 1.908678e-02 0.004395 0.001132 True md_ensemble 6 120 128 CA_GB1_14 OE1_GB1_15 1 5.126591e-04 7.634336e-07 ; 3.379277e-01 8.606489e-02 6.000685e-03 4.675078e-03 0.004395 0.009458 True md_ensemble 7 120 129 CA_GB1_14 OE2_GB1_15 1 5.126591e-04 7.634336e-07 ; 3.379277e-01 8.606489e-02 6.000685e-03 4.675078e-03 0.004395 0.009458 True md_ensemble 7 120 130 - CA_GB1_14 C_GB1_15 1 0.000000e+00 6.333358e-06 ; 3.285725e-01 -6.333358e-06 9.999963e-01 9.999011e-01 0.004395 0.001132 True md_ensemble 4 120 131 - CA_GB1_14 O_GB1_15 1 0.000000e+00 1.531098e-06 ; 2.919075e-01 -1.531098e-06 4.713299e-01 2.309325e-01 0.004395 0.001132 True md_ensemble 5 120 132 - CA_GB1_14 N_GB1_16 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 133 + CA_GB1_14 C_GB1_15 1 0.000000e+00 6.333252e-06 ; 3.285720e-01 -6.333252e-06 9.999963e-01 9.999011e-01 0.004395 0.001132 True md_ensemble 4 120 131 + CA_GB1_14 O_GB1_15 1 0.000000e+00 1.531092e-06 ; 2.919074e-01 -1.531092e-06 4.713299e-01 2.309325e-01 0.004395 0.001132 True md_ensemble 5 120 132 + CA_GB1_14 N_GB1_16 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 133 CA_GB1_14 CA_GB1_16 1 0.000000e+00 3.181365e-05 ; 3.758773e-01 -3.181365e-05 3.279627e-03 5.750029e-01 0.004395 0.001132 True md_ensemble 6 120 135 - CA_GB1_14 CB_GB1_16 1 0.000000e+00 4.112844e-05 ; 3.840079e-01 -4.112844e-05 9.295232e-03 3.020874e-01 0.004395 0.007117 True md_ensemble 7 120 136 - CA_GB1_14 OG1_GB1_16 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 137 - CA_GB1_14 C_GB1_16 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 139 + CA_GB1_14 CB_GB1_16 1 0.000000e+00 4.112827e-05 ; 3.840078e-01 -4.112827e-05 9.295232e-03 3.020874e-01 0.004395 0.007117 True md_ensemble 7 120 136 + CA_GB1_14 OG1_GB1_16 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 137 + CA_GB1_14 C_GB1_16 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 139 CA_GB1_14 O_GB1_16 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 140 - CA_GB1_14 N_GB1_17 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 141 - CA_GB1_14 OG1_GB1_17 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 145 - CA_GB1_14 C_GB1_17 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 147 + CA_GB1_14 N_GB1_17 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 141 + CA_GB1_14 OG1_GB1_17 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 145 + CA_GB1_14 C_GB1_17 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 147 CA_GB1_14 O_GB1_17 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 148 - CA_GB1_14 N_GB1_18 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 149 - CA_GB1_14 OG1_GB1_18 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 153 - CA_GB1_14 C_GB1_18 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 155 + CA_GB1_14 N_GB1_18 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 149 + CA_GB1_14 OG1_GB1_18 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 153 + CA_GB1_14 C_GB1_18 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 155 CA_GB1_14 O_GB1_18 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 156 - CA_GB1_14 N_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 157 - CA_GB1_14 CD_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 162 - CA_GB1_14 OE1_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 163 - CA_GB1_14 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 164 - CA_GB1_14 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 165 + CA_GB1_14 N_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 157 + CA_GB1_14 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 162 + CA_GB1_14 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 163 + CA_GB1_14 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 164 + CA_GB1_14 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 165 CA_GB1_14 O_GB1_19 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 166 - CA_GB1_14 N_GB1_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 167 - CA_GB1_14 C_GB1_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 171 + CA_GB1_14 N_GB1_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 167 + CA_GB1_14 C_GB1_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 171 CA_GB1_14 O_GB1_20 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 172 - CA_GB1_14 N_GB1_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 173 - CA_GB1_14 C_GB1_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 179 + CA_GB1_14 N_GB1_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 173 + CA_GB1_14 C_GB1_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 179 CA_GB1_14 O_GB1_21 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 180 - CA_GB1_14 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 181 - CA_GB1_14 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 185 - CA_GB1_14 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 186 - CA_GB1_14 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 187 - CA_GB1_14 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 188 + CA_GB1_14 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 181 + CA_GB1_14 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 185 + CA_GB1_14 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 186 + CA_GB1_14 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 187 + CA_GB1_14 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 188 CA_GB1_14 O_GB1_22 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 189 - CA_GB1_14 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 190 - CA_GB1_14 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 194 + CA_GB1_14 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 190 + CA_GB1_14 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 194 CA_GB1_14 O_GB1_23 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 195 - CA_GB1_14 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 196 - CA_GB1_14 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 200 + CA_GB1_14 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 196 + CA_GB1_14 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 200 CA_GB1_14 O_GB1_24 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 201 - CA_GB1_14 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 202 - CA_GB1_14 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 206 - CA_GB1_14 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 208 + CA_GB1_14 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 202 + CA_GB1_14 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 206 + CA_GB1_14 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 208 CA_GB1_14 O_GB1_25 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 209 - CA_GB1_14 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 210 - CA_GB1_14 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 214 + CA_GB1_14 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 210 + CA_GB1_14 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 214 CA_GB1_14 O_GB1_26 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 215 - CA_GB1_14 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 216 - CA_GB1_14 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 221 - CA_GB1_14 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 222 - CA_GB1_14 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 223 - CA_GB1_14 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 224 + CA_GB1_14 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 216 + CA_GB1_14 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 221 + CA_GB1_14 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 222 + CA_GB1_14 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 223 + CA_GB1_14 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 224 CA_GB1_14 O_GB1_27 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 225 - CA_GB1_14 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 226 - CA_GB1_14 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 233 - CA_GB1_14 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 234 + CA_GB1_14 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 226 + CA_GB1_14 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 233 + CA_GB1_14 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 234 CA_GB1_14 O_GB1_28 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 235 - CA_GB1_14 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 236 - CA_GB1_14 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 242 + CA_GB1_14 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 236 + CA_GB1_14 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 242 CA_GB1_14 O_GB1_29 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 243 - CA_GB1_14 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 244 - CA_GB1_14 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 254 + CA_GB1_14 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 244 + CA_GB1_14 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 254 CA_GB1_14 O_GB1_30 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 255 - CA_GB1_14 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 256 - CA_GB1_14 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 263 - CA_GB1_14 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 264 + CA_GB1_14 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 256 + CA_GB1_14 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 263 + CA_GB1_14 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 264 CA_GB1_14 O_GB1_31 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 265 - CA_GB1_14 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 266 - CA_GB1_14 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 271 + CA_GB1_14 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 266 + CA_GB1_14 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 271 CA_GB1_14 OE1_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 272 - CA_GB1_14 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 273 - CA_GB1_14 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 274 + CA_GB1_14 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 273 + CA_GB1_14 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 274 CA_GB1_14 O_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 275 - CA_GB1_14 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 276 + CA_GB1_14 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 276 CA_GB1_14 CE1_GB1_33 1 2.264888e-03 7.633380e-06 ; 3.872086e-01 1.680028e-01 2.937324e-02 1.389924e-03 0.004395 0.012152 True md_ensemble 7 120 283 CA_GB1_14 CE2_GB1_33 1 2.264888e-03 7.633380e-06 ; 3.872086e-01 1.680028e-01 2.937324e-02 1.389924e-03 0.004395 0.012152 True md_ensemble 7 120 284 CA_GB1_14 CZ_GB1_33 1 3.392648e-03 1.381056e-05 ; 3.995877e-01 2.083561e-01 6.421632e-02 1.596493e-03 0.004395 0.012152 True md_ensemble 7 120 285 CA_GB1_14 OH_GB1_33 1 8.535577e-04 8.099106e-07 ; 3.134734e-01 2.248892e-01 8.847503e-02 1.685308e-03 0.004395 0.009458 True md_ensemble 7 120 286 - CA_GB1_14 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 287 + CA_GB1_14 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 287 CA_GB1_14 O_GB1_33 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 288 - CA_GB1_14 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 289 - CA_GB1_14 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 293 + CA_GB1_14 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 289 + CA_GB1_14 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 293 CA_GB1_14 O_GB1_34 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 294 - CA_GB1_14 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 295 - CA_GB1_14 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 299 + CA_GB1_14 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 295 + CA_GB1_14 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 299 CA_GB1_14 OD1_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 300 - CA_GB1_14 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 301 - CA_GB1_14 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 302 + CA_GB1_14 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 301 + CA_GB1_14 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 302 CA_GB1_14 O_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 303 - CA_GB1_14 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 304 - CA_GB1_14 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 308 - CA_GB1_14 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 309 - CA_GB1_14 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 310 - CA_GB1_14 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 311 + CA_GB1_14 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 304 + CA_GB1_14 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 308 + CA_GB1_14 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 309 + CA_GB1_14 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 310 + CA_GB1_14 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 311 CA_GB1_14 O_GB1_36 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 312 - CA_GB1_14 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 313 + CA_GB1_14 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 313 CA_GB1_14 CG_GB1_37 1 1.811447e-03 8.733079e-06 ; 4.110143e-01 9.393419e-02 6.989472e-03 3.150678e-04 0.004395 0.009458 True md_ensemble 7 120 317 CA_GB1_14 OD1_GB1_37 1 5.576351e-04 7.572845e-07 ; 3.327756e-01 1.026552e-01 8.276715e-03 3.015494e-04 0.004395 0.009458 True md_ensemble 7 120 318 CA_GB1_14 ND2_GB1_37 1 1.420488e-03 5.755175e-06 ; 3.992732e-01 8.765099e-02 6.188032e-03 3.507548e-04 0.004395 0.009458 True md_ensemble 7 120 319 - CA_GB1_14 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 320 + CA_GB1_14 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 320 CA_GB1_14 O_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 321 - CA_GB1_14 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 322 - CA_GB1_14 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 325 + CA_GB1_14 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 322 + CA_GB1_14 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 325 CA_GB1_14 O_GB1_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 326 - CA_GB1_14 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 327 - CA_GB1_14 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 333 + CA_GB1_14 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 327 + CA_GB1_14 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 333 CA_GB1_14 O_GB1_39 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 334 - CA_GB1_14 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 335 - CA_GB1_14 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 339 - CA_GB1_14 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 340 - CA_GB1_14 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 341 - CA_GB1_14 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 342 + CA_GB1_14 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 335 + CA_GB1_14 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 339 + CA_GB1_14 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 340 + CA_GB1_14 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 341 + CA_GB1_14 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 342 CA_GB1_14 O_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 343 - CA_GB1_14 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 344 - CA_GB1_14 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 347 + CA_GB1_14 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 344 + CA_GB1_14 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 347 CA_GB1_14 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 348 - CA_GB1_14 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 349 - CA_GB1_14 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 354 - CA_GB1_14 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 355 - CA_GB1_14 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 356 - CA_GB1_14 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 357 + CA_GB1_14 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 349 + CA_GB1_14 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 354 + CA_GB1_14 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 355 + CA_GB1_14 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 356 + CA_GB1_14 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 357 CA_GB1_14 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 358 - CA_GB1_14 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 359 - CA_GB1_14 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 366 - CA_GB1_14 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 372 + CA_GB1_14 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 359 + CA_GB1_14 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 366 + CA_GB1_14 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 372 CA_GB1_14 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 373 - CA_GB1_14 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 374 - CA_GB1_14 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 378 - CA_GB1_14 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 380 + CA_GB1_14 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 374 + CA_GB1_14 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 378 + CA_GB1_14 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 380 CA_GB1_14 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 381 - CA_GB1_14 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 382 - CA_GB1_14 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 392 - CA_GB1_14 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 393 + CA_GB1_14 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 382 + CA_GB1_14 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 392 + CA_GB1_14 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 393 CA_GB1_14 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 394 - CA_GB1_14 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 395 - CA_GB1_14 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 399 - CA_GB1_14 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 400 - CA_GB1_14 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 401 - CA_GB1_14 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 402 + CA_GB1_14 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 395 + CA_GB1_14 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 399 + CA_GB1_14 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 400 + CA_GB1_14 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 401 + CA_GB1_14 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 402 CA_GB1_14 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 403 - CA_GB1_14 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 404 - CA_GB1_14 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 408 - CA_GB1_14 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 409 - CA_GB1_14 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 410 - CA_GB1_14 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 411 + CA_GB1_14 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 404 + CA_GB1_14 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 408 + CA_GB1_14 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 409 + CA_GB1_14 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 410 + CA_GB1_14 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 411 CA_GB1_14 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 412 - CA_GB1_14 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 413 - CA_GB1_14 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 417 + CA_GB1_14 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 413 + CA_GB1_14 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 417 CA_GB1_14 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 418 - CA_GB1_14 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 419 - CA_GB1_14 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 423 - CA_GB1_14 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 425 + CA_GB1_14 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 419 + CA_GB1_14 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 423 + CA_GB1_14 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 425 CA_GB1_14 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 426 - CA_GB1_14 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 427 - CA_GB1_14 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 434 - CA_GB1_14 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 435 + CA_GB1_14 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 427 + CA_GB1_14 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 434 + CA_GB1_14 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 435 CA_GB1_14 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 436 - CA_GB1_14 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 437 - CA_GB1_14 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 441 - CA_GB1_14 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 443 + CA_GB1_14 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 437 + CA_GB1_14 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 441 + CA_GB1_14 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 443 CA_GB1_14 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 444 - CA_GB1_14 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 445 - CA_GB1_14 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 455 + CA_GB1_14 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 445 + CA_GB1_14 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 455 CA_GB1_14 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 456 - CA_GB1_14 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 457 - CA_GB1_14 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 461 - CA_GB1_14 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 463 + CA_GB1_14 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 457 + CA_GB1_14 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 461 + CA_GB1_14 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 463 CA_GB1_14 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 464 - CA_GB1_14 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 465 - CA_GB1_14 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 471 + CA_GB1_14 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 465 + CA_GB1_14 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 471 CA_GB1_14 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 472 - CA_GB1_14 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 473 - CA_GB1_14 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 477 - CA_GB1_14 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 479 + CA_GB1_14 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 473 + CA_GB1_14 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 477 + CA_GB1_14 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 479 CA_GB1_14 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 480 - CA_GB1_14 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 481 - CA_GB1_14 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 486 - CA_GB1_14 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 487 - CA_GB1_14 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 488 - CA_GB1_14 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 489 - CA_GB1_14 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 490 - CA_GB1_14 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 491 - C_GB1_14 CB_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 126 - C_GB1_14 CG_GB1_15 1 0.000000e+00 6.330923e-06 ; 3.285619e-01 -6.330923e-06 9.999880e-01 9.995084e-01 0.004395 0.001132 True md_ensemble 4 121 127 - C_GB1_14 CD_GB1_15 1 0.000000e+00 2.658570e-06 ; 3.056439e-01 -2.658570e-06 1.222217e-01 1.453114e-01 0.004395 0.001132 True md_ensemble 5 121 128 - C_GB1_14 OE1_GB1_15 1 0.000000e+00 6.768656e-07 ; 2.727116e-01 -6.768656e-07 7.584430e-03 1.873507e-02 0.004395 0.001132 True md_ensemble 6 121 129 - C_GB1_14 OE2_GB1_15 1 0.000000e+00 6.768656e-07 ; 2.727116e-01 -6.768656e-07 7.584430e-03 1.873507e-02 0.004395 0.001132 True md_ensemble 6 121 130 - C_GB1_14 O_GB1_15 1 0.000000e+00 6.996661e-07 ; 2.734655e-01 -6.996661e-07 9.984714e-01 8.445590e-01 0.004395 0.001132 True md_ensemble 4 121 132 - C_GB1_14 N_GB1_16 1 0.000000e+00 1.792373e-06 ; 2.957654e-01 -1.792373e-06 7.864103e-01 9.748696e-01 0.004395 0.001132 True md_ensemble 4 121 133 - C_GB1_14 CA_GB1_16 1 0.000000e+00 2.204718e-05 ; 3.645645e-01 -2.204718e-05 1.897953e-01 8.789932e-01 0.004395 0.001132 True md_ensemble 5 121 135 - C_GB1_14 CB_GB1_16 1 0.000000e+00 1.820563e-05 ; 3.587943e-01 -1.820563e-05 7.122463e-02 4.660929e-01 0.004395 0.001132 True md_ensemble 6 121 136 - C_GB1_14 CG2_GB1_16 1 0.000000e+00 5.386053e-06 ; 3.241661e-01 -5.386053e-06 6.856772e-03 1.464930e-01 0.004395 0.001132 True md_ensemble 7 121 138 + CA_GB1_14 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 481 + CA_GB1_14 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 486 + CA_GB1_14 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 487 + CA_GB1_14 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 488 + CA_GB1_14 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 489 + CA_GB1_14 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 490 + CA_GB1_14 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 120 491 + C_GB1_14 CB_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 126 + C_GB1_14 CG_GB1_15 1 0.000000e+00 6.330817e-06 ; 3.285615e-01 -6.330817e-06 9.999880e-01 9.995084e-01 0.004395 0.001132 True md_ensemble 4 121 127 + C_GB1_14 CD_GB1_15 1 0.000000e+00 2.658523e-06 ; 3.056434e-01 -2.658523e-06 1.222217e-01 1.453114e-01 0.004395 0.001132 True md_ensemble 5 121 128 + C_GB1_14 OE1_GB1_15 1 0.000000e+00 6.768626e-07 ; 2.727115e-01 -6.768626e-07 7.584430e-03 1.873507e-02 0.004395 0.001132 True md_ensemble 6 121 129 + C_GB1_14 OE2_GB1_15 1 0.000000e+00 6.768626e-07 ; 2.727115e-01 -6.768626e-07 7.584430e-03 1.873507e-02 0.004395 0.001132 True md_ensemble 6 121 130 + C_GB1_14 O_GB1_15 1 0.000000e+00 6.996629e-07 ; 2.734654e-01 -6.996629e-07 9.984714e-01 8.445590e-01 0.004395 0.001132 True md_ensemble 4 121 132 + C_GB1_14 N_GB1_16 1 0.000000e+00 1.792348e-06 ; 2.957651e-01 -1.792348e-06 7.864103e-01 9.748696e-01 0.004395 0.001132 True md_ensemble 4 121 133 + C_GB1_14 CA_GB1_16 1 0.000000e+00 2.204707e-05 ; 3.645644e-01 -2.204707e-05 1.897953e-01 8.789932e-01 0.004395 0.001132 True md_ensemble 5 121 135 + C_GB1_14 CB_GB1_16 1 0.000000e+00 1.820554e-05 ; 3.587941e-01 -1.820554e-05 7.122463e-02 4.660929e-01 0.004395 0.001132 True md_ensemble 6 121 136 + C_GB1_14 CG2_GB1_16 1 0.000000e+00 5.385982e-06 ; 3.241657e-01 -5.385982e-06 6.856772e-03 1.464930e-01 0.004395 0.001132 True md_ensemble 7 121 138 C_GB1_14 C_GB1_16 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 0.000000e+00 2.090420e-01 0.004395 0.001132 True md_ensemble 6 121 139 - C_GB1_14 CB_GB1_17 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 144 - C_GB1_14 CG2_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 146 - C_GB1_14 CB_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 152 - C_GB1_14 CG2_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 154 - C_GB1_14 CB_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 160 - C_GB1_14 CG_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 161 - C_GB1_14 CB_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 170 - C_GB1_14 CB_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 176 - C_GB1_14 CG1_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 177 - C_GB1_14 CG2_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 178 - C_GB1_14 CB_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 184 - C_GB1_14 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 193 - C_GB1_14 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 199 - C_GB1_14 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 205 - C_GB1_14 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 207 - C_GB1_14 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 213 - C_GB1_14 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 219 - C_GB1_14 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 220 - C_GB1_14 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 229 - C_GB1_14 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 230 - C_GB1_14 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 231 - C_GB1_14 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 232 - C_GB1_14 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 239 - C_GB1_14 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 240 - C_GB1_14 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 241 - C_GB1_14 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 247 - C_GB1_14 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 259 - C_GB1_14 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 260 - C_GB1_14 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 261 - C_GB1_14 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 262 - C_GB1_14 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 269 - C_GB1_14 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 270 - C_GB1_14 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 279 + C_GB1_14 CB_GB1_17 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 144 + C_GB1_14 CG2_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 146 + C_GB1_14 CB_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 152 + C_GB1_14 CG2_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 154 + C_GB1_14 CB_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 160 + C_GB1_14 CG_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 161 + C_GB1_14 CB_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 170 + C_GB1_14 CB_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 176 + C_GB1_14 CG1_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 177 + C_GB1_14 CG2_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 178 + C_GB1_14 CB_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 184 + C_GB1_14 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 193 + C_GB1_14 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 199 + C_GB1_14 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 205 + C_GB1_14 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 207 + C_GB1_14 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 213 + C_GB1_14 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 219 + C_GB1_14 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 220 + C_GB1_14 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 229 + C_GB1_14 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 230 + C_GB1_14 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 231 + C_GB1_14 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 232 + C_GB1_14 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 239 + C_GB1_14 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 240 + C_GB1_14 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 241 + C_GB1_14 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 247 + C_GB1_14 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 259 + C_GB1_14 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 260 + C_GB1_14 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 261 + C_GB1_14 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 262 + C_GB1_14 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 269 + C_GB1_14 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 270 + C_GB1_14 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 279 C_GB1_14 CE1_GB1_33 1 1.733478e-03 5.056105e-06 ; 3.779923e-01 1.485801e-01 2.015824e-02 6.277270e-04 0.004395 0.015243 True md_ensemble 7 121 283 C_GB1_14 CE2_GB1_33 1 1.733478e-03 5.056105e-06 ; 3.779923e-01 1.485801e-01 2.015824e-02 6.277270e-04 0.004395 0.015243 True md_ensemble 7 121 284 C_GB1_14 CZ_GB1_33 1 3.104828e-03 1.312833e-05 ; 4.021258e-01 1.835716e-01 3.972009e-02 8.334901e-04 0.004395 0.015243 True md_ensemble 7 121 285 C_GB1_14 OH_GB1_33 1 1.033780e-03 1.297872e-06 ; 3.284485e-01 2.058563e-01 6.117897e-02 7.294277e-04 0.004395 0.011584 True md_ensemble 7 121 286 - C_GB1_14 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 292 - C_GB1_14 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 298 - C_GB1_14 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 307 - C_GB1_14 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 316 - C_GB1_14 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 324 - C_GB1_14 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 330 - C_GB1_14 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 331 - C_GB1_14 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 332 - C_GB1_14 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 338 - C_GB1_14 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 346 - C_GB1_14 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 352 - C_GB1_14 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 353 - C_GB1_14 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 362 - C_GB1_14 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 377 - C_GB1_14 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 379 - C_GB1_14 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 385 - C_GB1_14 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 398 - C_GB1_14 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 407 - C_GB1_14 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 416 - C_GB1_14 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 422 - C_GB1_14 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 424 - C_GB1_14 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 430 - C_GB1_14 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 431 - C_GB1_14 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 432 - C_GB1_14 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 433 - C_GB1_14 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 440 - C_GB1_14 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 442 - C_GB1_14 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 448 - C_GB1_14 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 460 - C_GB1_14 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 462 - C_GB1_14 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 468 - C_GB1_14 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 469 - C_GB1_14 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 470 - C_GB1_14 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 476 - C_GB1_14 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 478 - C_GB1_14 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 484 - C_GB1_14 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 485 + C_GB1_14 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 292 + C_GB1_14 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 298 + C_GB1_14 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 307 + C_GB1_14 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 316 + C_GB1_14 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 324 + C_GB1_14 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 330 + C_GB1_14 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 331 + C_GB1_14 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 332 + C_GB1_14 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 338 + C_GB1_14 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 346 + C_GB1_14 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 352 + C_GB1_14 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 353 + C_GB1_14 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 362 + C_GB1_14 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 377 + C_GB1_14 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 379 + C_GB1_14 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 385 + C_GB1_14 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 398 + C_GB1_14 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 407 + C_GB1_14 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 416 + C_GB1_14 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 422 + C_GB1_14 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 424 + C_GB1_14 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 430 + C_GB1_14 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 431 + C_GB1_14 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 432 + C_GB1_14 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 433 + C_GB1_14 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 440 + C_GB1_14 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 442 + C_GB1_14 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 448 + C_GB1_14 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 460 + C_GB1_14 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 462 + C_GB1_14 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 468 + C_GB1_14 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 469 + C_GB1_14 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 470 + C_GB1_14 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 476 + C_GB1_14 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 478 + C_GB1_14 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 484 + C_GB1_14 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 121 485 O_GB1_14 O_GB1_14 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 122 122 O_GB1_14 H_GB1_15 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 122 124 - O_GB1_14 CB_GB1_15 1 0.000000e+00 2.015656e-06 ; 2.986733e-01 -2.015656e-06 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 122 126 - O_GB1_14 CG_GB1_15 1 0.000000e+00 1.704776e-06 ; 2.945330e-01 -1.704776e-06 7.753023e-01 6.210693e-01 0.004395 0.001132 True md_ensemble 5 122 127 - O_GB1_14 CD_GB1_15 1 0.000000e+00 8.550228e-07 ; 2.780736e-01 -8.550228e-07 6.693742e-03 4.065005e-02 0.004395 0.001132 True md_ensemble 6 122 128 + O_GB1_14 CB_GB1_15 1 0.000000e+00 2.015649e-06 ; 2.986732e-01 -2.015649e-06 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 122 126 + O_GB1_14 CG_GB1_15 1 0.000000e+00 1.704769e-06 ; 2.945329e-01 -1.704769e-06 7.753023e-01 6.210693e-01 0.004395 0.001132 True md_ensemble 5 122 127 + O_GB1_14 CD_GB1_15 1 0.000000e+00 8.550188e-07 ; 2.780735e-01 -8.550188e-07 6.693742e-03 4.065005e-02 0.004395 0.001132 True md_ensemble 6 122 128 O_GB1_14 OE1_GB1_15 1 0.000000e+00 1.542777e-06 ; 2.920924e-01 -1.542777e-06 1.788597e-02 4.640400e-02 0.004395 0.001132 True md_ensemble 7 122 129 O_GB1_14 OE2_GB1_15 1 0.000000e+00 1.542777e-06 ; 2.920924e-01 -1.542777e-06 1.788597e-02 4.640400e-02 0.004395 0.001132 True md_ensemble 7 122 130 - O_GB1_14 C_GB1_15 1 0.000000e+00 8.236379e-07 ; 2.772084e-01 -8.236379e-07 9.980912e-01 9.940946e-01 0.004395 0.001132 True md_ensemble 4 122 131 + O_GB1_14 C_GB1_15 1 0.000000e+00 8.236341e-07 ; 2.772083e-01 -8.236341e-07 9.980912e-01 9.940946e-01 0.004395 0.001132 True md_ensemble 4 122 131 O_GB1_14 O_GB1_15 1 0.000000e+00 2.130676e-06 ; 3.000577e-01 -2.130676e-06 3.909532e-01 8.114041e-01 0.004395 0.001132 True md_ensemble 5 122 132 O_GB1_14 N_GB1_16 1 0.000000e+00 2.332537e-06 ; 3.023296e-01 -2.332537e-06 3.336665e-01 8.886914e-01 0.004395 0.001132 True md_ensemble 5 122 133 O_GB1_14 H_GB1_16 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 122 134 - O_GB1_14 CA_GB1_16 1 0.000000e+00 6.416902e-06 ; 3.289315e-01 -6.416902e-06 3.228115e-02 5.772216e-01 0.004395 0.001132 True md_ensemble 6 122 135 - O_GB1_14 CB_GB1_16 1 0.000000e+00 4.850748e-06 ; 3.213506e-01 -4.850748e-06 2.435159e-02 1.922231e-01 0.004395 0.007862 True md_ensemble 7 122 136 + O_GB1_14 CA_GB1_16 1 0.000000e+00 6.416953e-06 ; 3.289317e-01 -6.416953e-06 3.228115e-02 5.772216e-01 0.004395 0.001132 True md_ensemble 6 122 135 + O_GB1_14 CB_GB1_16 1 0.000000e+00 4.850786e-06 ; 3.213508e-01 -4.850786e-06 2.435159e-02 1.922231e-01 0.004395 0.007862 True md_ensemble 7 122 136 O_GB1_14 CG2_GB1_16 1 0.000000e+00 1.655064e-06 ; 2.938075e-01 -1.655064e-06 9.133747e-03 1.095815e-01 0.004395 0.007862 True md_ensemble 7 122 138 O_GB1_14 O_GB1_16 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 122 140 O_GB1_14 H_GB1_17 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 122 142 @@ -20162,137 +20162,137 @@ CD2_GB1_12 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- O_GB1_14 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 122 488 O_GB1_14 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 122 490 O_GB1_14 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 122 491 - N_GB1_15 CB_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 126 - N_GB1_15 CG_GB1_15 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 127 - N_GB1_15 CD_GB1_15 1 0.000000e+00 1.930208e-06 ; 2.975971e-01 -1.930208e-06 4.676962e-01 7.475485e-01 0.004395 0.001132 True md_ensemble 4 123 128 + N_GB1_15 CB_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 126 + N_GB1_15 CG_GB1_15 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 127 + N_GB1_15 CD_GB1_15 1 0.000000e+00 1.930180e-06 ; 2.975967e-01 -1.930180e-06 4.676962e-01 7.475485e-01 0.004395 0.001132 True md_ensemble 4 123 128 N_GB1_15 OE1_GB1_15 1 0.000000e+00 1.655334e-06 ; 2.938115e-01 -1.655334e-06 7.695593e-02 1.805116e-01 0.004395 0.001132 True md_ensemble 5 123 129 N_GB1_15 OE2_GB1_15 1 0.000000e+00 1.655334e-06 ; 2.938115e-01 -1.655334e-06 7.695593e-02 1.805116e-01 0.004395 0.001132 True md_ensemble 5 123 130 - N_GB1_15 CA_GB1_16 1 0.000000e+00 7.574918e-06 ; 3.335107e-01 -7.574918e-06 1.000000e+00 9.999899e-01 0.004395 0.001132 True md_ensemble 4 123 135 - N_GB1_15 CB_GB1_16 1 0.000000e+00 7.018292e-06 ; 3.313963e-01 -7.018292e-06 7.490574e-01 6.755652e-01 0.004395 0.001132 True md_ensemble 5 123 136 + N_GB1_15 CA_GB1_16 1 0.000000e+00 7.574906e-06 ; 3.335107e-01 -7.574906e-06 1.000000e+00 9.999899e-01 0.004395 0.001132 True md_ensemble 4 123 135 + N_GB1_15 CB_GB1_16 1 0.000000e+00 7.018281e-06 ; 3.313962e-01 -7.018281e-06 7.490574e-01 6.755652e-01 0.004395 0.001132 True md_ensemble 5 123 136 N_GB1_15 OG1_GB1_16 1 0.000000e+00 6.627671e-07 ; 2.722336e-01 -6.627671e-07 2.892257e-03 6.660350e-02 0.004395 0.001132 True md_ensemble 6 123 137 - N_GB1_15 CG2_GB1_16 1 0.000000e+00 3.198095e-06 ; 3.103863e-01 -3.198095e-06 1.447913e-02 1.804219e-01 0.004395 0.001132 True md_ensemble 6 123 138 + N_GB1_15 CG2_GB1_16 1 0.000000e+00 3.198065e-06 ; 3.103861e-01 -3.198065e-06 1.447913e-02 1.804219e-01 0.004395 0.001132 True md_ensemble 6 123 138 N_GB1_15 C_GB1_16 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 0.000000e+00 1.145268e-01 0.004395 0.001132 True md_ensemble 5 123 139 N_GB1_15 O_GB1_16 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 0.000000e+00 1.540496e-01 0.004395 0.001132 True md_ensemble 6 123 140 N_GB1_15 N_GB1_17 1 0.000000e+00 8.752940e-07 ; 2.786171e-01 -8.752940e-07 0.000000e+00 1.024190e-01 0.004395 0.001132 True md_ensemble 6 123 141 - N_GB1_15 CB_GB1_17 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 144 - N_GB1_15 CG2_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 146 + N_GB1_15 CB_GB1_17 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 144 + N_GB1_15 CG2_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 146 N_GB1_15 N_GB1_18 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 5.087205e-04 0.004395 0.001132 True md_ensemble 7 123 149 - N_GB1_15 CB_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 152 - N_GB1_15 CG2_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 154 + N_GB1_15 CB_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 152 + N_GB1_15 CG2_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 154 N_GB1_15 N_GB1_19 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.532593e-04 0.004395 0.001132 True md_ensemble 7 123 157 - N_GB1_15 CB_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 160 - N_GB1_15 CG_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 161 + N_GB1_15 CB_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 160 + N_GB1_15 CG_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 161 N_GB1_15 N_GB1_20 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 123 167 - N_GB1_15 CB_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 170 + N_GB1_15 CB_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 170 N_GB1_15 N_GB1_21 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 123 173 - N_GB1_15 CB_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 176 - N_GB1_15 CG1_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 177 - N_GB1_15 CG2_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 178 + N_GB1_15 CB_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 176 + N_GB1_15 CG1_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 177 + N_GB1_15 CG2_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 178 N_GB1_15 N_GB1_22 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 123 181 - N_GB1_15 CB_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 184 + N_GB1_15 CB_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 184 N_GB1_15 N_GB1_23 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 123 190 - N_GB1_15 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 193 + N_GB1_15 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 193 N_GB1_15 N_GB1_24 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 123 196 - N_GB1_15 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 199 + N_GB1_15 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 199 N_GB1_15 N_GB1_25 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 123 202 - N_GB1_15 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 205 - N_GB1_15 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 207 + N_GB1_15 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 205 + N_GB1_15 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 207 N_GB1_15 N_GB1_26 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 123 210 - N_GB1_15 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 213 + N_GB1_15 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 213 N_GB1_15 N_GB1_27 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 123 216 - N_GB1_15 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 219 - N_GB1_15 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 220 + N_GB1_15 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 219 + N_GB1_15 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 220 N_GB1_15 N_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 123 226 - N_GB1_15 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 229 - N_GB1_15 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 230 - N_GB1_15 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 231 - N_GB1_15 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 232 + N_GB1_15 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 229 + N_GB1_15 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 230 + N_GB1_15 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 231 + N_GB1_15 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 232 N_GB1_15 NZ_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 7.516488e-05 0.004395 0.001132 True md_ensemble 7 123 233 N_GB1_15 N_GB1_29 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 123 236 - N_GB1_15 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 239 - N_GB1_15 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 240 - N_GB1_15 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 241 + N_GB1_15 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 239 + N_GB1_15 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 240 + N_GB1_15 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 241 N_GB1_15 N_GB1_30 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 123 244 - N_GB1_15 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 247 + N_GB1_15 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 247 N_GB1_15 N_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 123 256 - N_GB1_15 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 259 - N_GB1_15 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 260 - N_GB1_15 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 261 - N_GB1_15 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 262 + N_GB1_15 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 259 + N_GB1_15 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 260 + N_GB1_15 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 261 + N_GB1_15 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 262 N_GB1_15 NZ_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.825919e-06 0.004395 0.001132 True md_ensemble 7 123 263 N_GB1_15 N_GB1_32 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 123 266 - N_GB1_15 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 269 - N_GB1_15 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 270 + N_GB1_15 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 269 + N_GB1_15 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 270 N_GB1_15 N_GB1_33 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 123 276 - N_GB1_15 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 279 + N_GB1_15 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 279 N_GB1_15 CE1_GB1_33 1 1.015074e-03 1.699571e-06 ; 3.445934e-01 1.515640e-01 2.135850e-02 2.450231e-04 0.004395 0.015244 True md_ensemble 7 123 283 N_GB1_15 CE2_GB1_33 1 1.015074e-03 1.699571e-06 ; 3.445934e-01 1.515640e-01 2.135850e-02 2.450231e-04 0.004395 0.015244 True md_ensemble 7 123 284 N_GB1_15 CZ_GB1_33 1 1.485735e-03 2.891826e-06 ; 3.533500e-01 1.908317e-01 4.572202e-02 3.958464e-04 0.004395 0.015244 True md_ensemble 7 123 285 N_GB1_15 OH_GB1_33 1 3.685360e-04 1.602150e-07 ; 2.752351e-01 2.119320e-01 6.882516e-02 3.299828e-04 0.004395 0.011584 True md_ensemble 7 123 286 N_GB1_15 N_GB1_34 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 123 289 - N_GB1_15 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 292 + N_GB1_15 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 292 N_GB1_15 N_GB1_35 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 123 295 - N_GB1_15 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 298 + N_GB1_15 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 298 N_GB1_15 N_GB1_36 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 123 304 - N_GB1_15 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 307 + N_GB1_15 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 307 N_GB1_15 N_GB1_37 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 123 313 - N_GB1_15 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 316 + N_GB1_15 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 316 N_GB1_15 N_GB1_38 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 123 322 - N_GB1_15 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 324 + N_GB1_15 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 324 N_GB1_15 N_GB1_39 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 123 327 - N_GB1_15 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 330 - N_GB1_15 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 331 - N_GB1_15 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 332 + N_GB1_15 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 330 + N_GB1_15 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 331 + N_GB1_15 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 332 N_GB1_15 N_GB1_40 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 123 335 - N_GB1_15 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 338 + N_GB1_15 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 338 N_GB1_15 N_GB1_41 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 123 344 - N_GB1_15 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 346 + N_GB1_15 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 346 N_GB1_15 N_GB1_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 123 349 - N_GB1_15 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 352 - N_GB1_15 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 353 + N_GB1_15 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 352 + N_GB1_15 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 353 N_GB1_15 N_GB1_43 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 123 359 - N_GB1_15 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 362 + N_GB1_15 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 362 N_GB1_15 N_GB1_44 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 123 374 - N_GB1_15 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 377 - N_GB1_15 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 379 + N_GB1_15 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 377 + N_GB1_15 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 379 N_GB1_15 N_GB1_45 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 123 382 - N_GB1_15 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 385 + N_GB1_15 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 385 N_GB1_15 N_GB1_46 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 123 395 - N_GB1_15 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 398 + N_GB1_15 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 398 N_GB1_15 N_GB1_47 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 123 404 - N_GB1_15 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 407 + N_GB1_15 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 407 N_GB1_15 N_GB1_48 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 123 413 - N_GB1_15 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 416 + N_GB1_15 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 416 N_GB1_15 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 123 419 - N_GB1_15 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 422 - N_GB1_15 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 424 + N_GB1_15 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 422 + N_GB1_15 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 424 N_GB1_15 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 123 427 - N_GB1_15 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 430 - N_GB1_15 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 431 - N_GB1_15 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 432 - N_GB1_15 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 433 + N_GB1_15 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 430 + N_GB1_15 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 431 + N_GB1_15 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 432 + N_GB1_15 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 433 N_GB1_15 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 123 434 N_GB1_15 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 123 437 - N_GB1_15 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 440 - N_GB1_15 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 442 + N_GB1_15 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 440 + N_GB1_15 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 442 N_GB1_15 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 123 445 - N_GB1_15 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 448 + N_GB1_15 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 448 N_GB1_15 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 123 457 - N_GB1_15 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 460 - N_GB1_15 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 462 + N_GB1_15 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 460 + N_GB1_15 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 462 N_GB1_15 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 123 465 - N_GB1_15 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 468 - N_GB1_15 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 469 - N_GB1_15 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 470 + N_GB1_15 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 468 + N_GB1_15 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 469 + N_GB1_15 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 470 N_GB1_15 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 123 473 - N_GB1_15 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 476 - N_GB1_15 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 478 + N_GB1_15 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 476 + N_GB1_15 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 478 N_GB1_15 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 123 481 - N_GB1_15 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 484 - N_GB1_15 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 485 + N_GB1_15 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 484 + N_GB1_15 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 123 485 H_GB1_15 H_GB1_15 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 124 124 - H_GB1_15 OE1_GB1_15 1 0.000000e+00 1.254938e-08 ; 1.956051e-01 -1.254938e-08 4.642735e-03 3.781765e-03 0.004395 0.001132 True md_ensemble 6 124 129 - H_GB1_15 OE2_GB1_15 1 0.000000e+00 1.254938e-08 ; 1.956051e-01 -1.254938e-08 4.642735e-03 3.781765e-03 0.004395 0.001132 True md_ensemble 6 124 130 + H_GB1_15 OE1_GB1_15 1 0.000000e+00 1.254958e-08 ; 1.956054e-01 -1.254958e-08 4.642735e-03 3.781765e-03 0.004395 0.001132 True md_ensemble 6 124 129 + H_GB1_15 OE2_GB1_15 1 0.000000e+00 1.254958e-08 ; 1.956054e-01 -1.254958e-08 4.642735e-03 3.781765e-03 0.004395 0.001132 True md_ensemble 6 124 130 H_GB1_15 O_GB1_15 1 4.960584e-06 8.719136e-11 ; 1.612464e-01 7.055570e-02 9.836472e-01 2.505551e-01 0.004395 0.001132 True md_ensemble 4 124 132 H_GB1_15 H_GB1_16 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 124 134 H_GB1_15 OG1_GB1_16 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 124 137 @@ -20409,14 +20409,14 @@ CD2_GB1_12 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- H_GB1_15 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 124 488 H_GB1_15 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 124 490 H_GB1_15 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 124 491 - CA_GB1_15 OE1_GB1_15 1 0.000000e+00 3.348737e-06 ; 3.115792e-01 -3.348737e-06 9.813199e-01 9.773129e-01 0.004395 0.001132 True md_ensemble 4 125 129 - CA_GB1_15 OE2_GB1_15 1 0.000000e+00 3.348737e-06 ; 3.115792e-01 -3.348737e-06 9.813199e-01 9.773129e-01 0.004395 0.001132 True md_ensemble 4 125 130 - CA_GB1_15 CB_GB1_16 1 0.000000e+00 6.555574e-05 ; 3.992202e-01 -6.555574e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 125 136 - CA_GB1_15 OG1_GB1_16 1 0.000000e+00 9.840862e-06 ; 3.408640e-01 -9.840862e-06 3.330235e-02 7.490122e-01 0.004395 0.001132 True md_ensemble 5 125 137 - CA_GB1_15 CG2_GB1_16 1 0.000000e+00 1.852701e-05 ; 3.593178e-01 -1.852701e-05 9.708426e-01 7.513247e-01 0.004395 0.001132 True md_ensemble 5 125 138 - CA_GB1_15 C_GB1_16 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 125 139 - CA_GB1_15 O_GB1_16 1 0.000000e+00 2.025028e-06 ; 2.987888e-01 -2.025028e-06 9.511428e-01 4.386909e-01 0.004395 0.001132 True md_ensemble 5 125 140 - CA_GB1_15 N_GB1_17 1 0.000000e+00 1.226732e-05 ; 3.471822e-01 -1.226732e-05 4.868777e-03 6.243178e-01 0.004395 0.001132 True md_ensemble 5 125 141 + CA_GB1_15 OE1_GB1_15 1 0.000000e+00 3.348764e-06 ; 3.115794e-01 -3.348764e-06 9.813199e-01 9.773129e-01 0.004395 0.001132 True md_ensemble 4 125 129 + CA_GB1_15 OE2_GB1_15 1 0.000000e+00 3.348764e-06 ; 3.115794e-01 -3.348764e-06 9.813199e-01 9.773129e-01 0.004395 0.001132 True md_ensemble 4 125 130 + CA_GB1_15 CB_GB1_16 1 0.000000e+00 6.555622e-05 ; 3.992205e-01 -6.555622e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 125 136 + CA_GB1_15 OG1_GB1_16 1 0.000000e+00 9.840829e-06 ; 3.408639e-01 -9.840829e-06 3.330235e-02 7.490122e-01 0.004395 0.001132 True md_ensemble 5 125 137 + CA_GB1_15 CG2_GB1_16 1 0.000000e+00 1.852700e-05 ; 3.593178e-01 -1.852700e-05 9.708426e-01 7.513247e-01 0.004395 0.001132 True md_ensemble 5 125 138 + CA_GB1_15 C_GB1_16 1 0.000000e+00 1.305180e-05 ; 3.489803e-01 -1.305180e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 125 139 + CA_GB1_15 O_GB1_16 1 0.000000e+00 2.025044e-06 ; 2.987890e-01 -2.025044e-06 9.511428e-01 4.386909e-01 0.004395 0.001132 True md_ensemble 5 125 140 + CA_GB1_15 N_GB1_17 1 0.000000e+00 1.226730e-05 ; 3.471822e-01 -1.226730e-05 4.868777e-03 6.243178e-01 0.004395 0.001132 True md_ensemble 5 125 141 CA_GB1_15 CA_GB1_17 1 0.000000e+00 6.555574e-05 ; 3.992202e-01 -6.555574e-05 3.159362e-03 6.110786e-01 0.004395 0.001132 True md_ensemble 6 125 143 CA_GB1_15 CD1_GB1_33 1 5.676567e-03 6.478764e-05 ; 4.744980e-01 1.243425e-01 1.260145e-02 1.212244e-03 0.004395 0.010759 True md_ensemble 7 125 281 CA_GB1_15 CD2_GB1_33 1 5.676567e-03 6.478764e-05 ; 4.744980e-01 1.243425e-01 1.260145e-02 1.212244e-03 0.004395 0.010759 True md_ensemble 7 125 282 @@ -20424,473 +20424,473 @@ CD2_GB1_12 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- CA_GB1_15 CE2_GB1_33 1 4.901674e-03 3.069380e-05 ; 4.293232e-01 1.956944e-01 5.024108e-02 1.016918e-03 0.004395 0.010759 True md_ensemble 7 125 284 CA_GB1_15 CZ_GB1_33 1 5.959268e-03 4.062520e-05 ; 4.354455e-01 2.185397e-01 7.822946e-02 1.403876e-03 0.004395 0.010759 True md_ensemble 7 125 285 CA_GB1_15 OH_GB1_33 1 2.595147e-03 7.454390e-06 ; 3.770292e-01 2.258665e-01 9.016701e-02 1.537209e-03 0.004395 0.008483 True md_ensemble 7 125 286 - CB_GB1_15 CD_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 128 - CB_GB1_15 OE1_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 129 - CB_GB1_15 OE2_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 130 - CB_GB1_15 C_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 131 + CB_GB1_15 CD_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 128 + CB_GB1_15 OE1_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 129 + CB_GB1_15 OE2_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 130 + CB_GB1_15 C_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 131 CB_GB1_15 O_GB1_15 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 132 - CB_GB1_15 N_GB1_16 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 133 - CB_GB1_15 CA_GB1_16 1 0.000000e+00 3.181366e-05 ; 3.758773e-01 -3.181366e-05 9.999996e-01 9.999997e-01 0.004395 0.001132 True md_ensemble 4 126 135 - CB_GB1_15 CB_GB1_16 1 0.000000e+00 2.936272e-05 ; 3.733745e-01 -2.936272e-05 9.959970e-01 9.189566e-01 0.004395 0.001132 True md_ensemble 5 126 136 - CB_GB1_15 OG1_GB1_16 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 137 + CB_GB1_15 N_GB1_16 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 133 + CB_GB1_15 CA_GB1_16 1 0.000000e+00 3.181352e-05 ; 3.758772e-01 -3.181352e-05 9.999996e-01 9.999997e-01 0.004395 0.001132 True md_ensemble 4 126 135 + CB_GB1_15 CB_GB1_16 1 0.000000e+00 2.936259e-05 ; 3.733744e-01 -2.936259e-05 9.959970e-01 9.189566e-01 0.004395 0.001132 True md_ensemble 5 126 136 + CB_GB1_15 OG1_GB1_16 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 137 CB_GB1_15 CG2_GB1_16 1 0.000000e+00 1.151981e-05 ; 3.453680e-01 -1.151981e-05 1.917997e-03 3.187589e-01 0.004395 0.001132 True md_ensemble 6 126 138 - CB_GB1_15 C_GB1_16 1 0.000000e+00 5.025776e-06 ; 3.223012e-01 -5.025776e-06 4.958199e-01 2.892849e-01 0.004395 0.001132 True md_ensemble 5 126 139 - CB_GB1_15 O_GB1_16 1 0.000000e+00 2.009579e-06 ; 2.985981e-01 -2.009579e-06 9.527012e-02 9.225518e-02 0.004395 0.001132 True md_ensemble 6 126 140 - CB_GB1_15 N_GB1_17 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 141 - CB_GB1_15 OG1_GB1_17 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 145 - CB_GB1_15 CG2_GB1_17 1 0.000000e+00 1.210872e-05 ; 3.468059e-01 -1.210872e-05 1.025423e-02 6.137601e-02 0.004395 0.012151 True md_ensemble 7 126 146 - CB_GB1_15 C_GB1_17 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 147 + CB_GB1_15 C_GB1_16 1 0.000000e+00 5.025692e-06 ; 3.223008e-01 -5.025692e-06 4.958199e-01 2.892849e-01 0.004395 0.001132 True md_ensemble 5 126 139 + CB_GB1_15 O_GB1_16 1 0.000000e+00 2.009572e-06 ; 2.985980e-01 -2.009572e-06 9.527012e-02 9.225518e-02 0.004395 0.001132 True md_ensemble 6 126 140 + CB_GB1_15 N_GB1_17 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 141 + CB_GB1_15 OG1_GB1_17 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 145 + CB_GB1_15 CG2_GB1_17 1 0.000000e+00 1.210858e-05 ; 3.468056e-01 -1.210858e-05 1.025423e-02 6.137601e-02 0.004395 0.012151 True md_ensemble 7 126 146 + CB_GB1_15 C_GB1_17 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 147 CB_GB1_15 O_GB1_17 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.923098e-02 0.004395 0.007862 True md_ensemble 7 126 148 - CB_GB1_15 N_GB1_18 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 149 - CB_GB1_15 OG1_GB1_18 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 153 - CB_GB1_15 C_GB1_18 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 155 + CB_GB1_15 N_GB1_18 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 149 + CB_GB1_15 OG1_GB1_18 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 153 + CB_GB1_15 C_GB1_18 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 155 CB_GB1_15 O_GB1_18 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.512866e-03 0.004395 0.007862 True md_ensemble 7 126 156 - CB_GB1_15 N_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 157 - CB_GB1_15 CD_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 162 - CB_GB1_15 OE1_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 163 - CB_GB1_15 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 164 - CB_GB1_15 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 165 + CB_GB1_15 N_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 157 + CB_GB1_15 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 162 + CB_GB1_15 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 163 + CB_GB1_15 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 164 + CB_GB1_15 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 165 CB_GB1_15 O_GB1_19 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 8.875323e-04 0.004395 0.007862 True md_ensemble 7 126 166 - CB_GB1_15 N_GB1_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 167 - CB_GB1_15 C_GB1_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 171 + CB_GB1_15 N_GB1_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 167 + CB_GB1_15 C_GB1_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 171 CB_GB1_15 O_GB1_20 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.520260e-04 0.004395 0.007862 True md_ensemble 7 126 172 - CB_GB1_15 N_GB1_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 173 - CB_GB1_15 C_GB1_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 179 + CB_GB1_15 N_GB1_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 173 + CB_GB1_15 C_GB1_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 179 CB_GB1_15 O_GB1_21 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.101816e-04 0.004395 0.007862 True md_ensemble 7 126 180 - CB_GB1_15 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 181 - CB_GB1_15 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 185 - CB_GB1_15 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 186 - CB_GB1_15 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 187 - CB_GB1_15 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 188 + CB_GB1_15 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 181 + CB_GB1_15 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 185 + CB_GB1_15 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 186 + CB_GB1_15 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 187 + CB_GB1_15 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 188 CB_GB1_15 O_GB1_22 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.586832e-04 0.004395 0.007862 True md_ensemble 7 126 189 - CB_GB1_15 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 190 - CB_GB1_15 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 194 + CB_GB1_15 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 190 + CB_GB1_15 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 194 CB_GB1_15 O_GB1_23 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.073714e-04 0.004395 0.007862 True md_ensemble 7 126 195 - CB_GB1_15 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 196 - CB_GB1_15 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 200 + CB_GB1_15 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 196 + CB_GB1_15 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 200 CB_GB1_15 O_GB1_24 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.152427e-04 0.004395 0.007862 True md_ensemble 7 126 201 - CB_GB1_15 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 202 - CB_GB1_15 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 206 - CB_GB1_15 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 208 + CB_GB1_15 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 202 + CB_GB1_15 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 206 + CB_GB1_15 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 208 CB_GB1_15 O_GB1_25 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.603853e-04 0.004395 0.007862 True md_ensemble 7 126 209 - CB_GB1_15 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 210 - CB_GB1_15 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 214 + CB_GB1_15 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 210 + CB_GB1_15 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 214 CB_GB1_15 O_GB1_26 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000345e-04 0.004395 0.007862 True md_ensemble 7 126 215 - CB_GB1_15 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 216 - CB_GB1_15 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 221 - CB_GB1_15 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 222 - CB_GB1_15 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 223 - CB_GB1_15 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 224 + CB_GB1_15 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 216 + CB_GB1_15 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 221 + CB_GB1_15 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 222 + CB_GB1_15 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 223 + CB_GB1_15 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 224 CB_GB1_15 O_GB1_27 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000225e-04 0.004395 0.007862 True md_ensemble 7 126 225 - CB_GB1_15 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 226 - CB_GB1_15 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 233 - CB_GB1_15 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 234 + CB_GB1_15 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 226 + CB_GB1_15 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 233 + CB_GB1_15 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 234 CB_GB1_15 O_GB1_28 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 126 235 - CB_GB1_15 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 236 - CB_GB1_15 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 242 + CB_GB1_15 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 236 + CB_GB1_15 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 242 CB_GB1_15 O_GB1_29 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.118418e-04 0.004395 0.007862 True md_ensemble 7 126 243 - CB_GB1_15 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 244 - CB_GB1_15 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 254 + CB_GB1_15 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 244 + CB_GB1_15 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 254 CB_GB1_15 O_GB1_30 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000476e-04 0.004395 0.007862 True md_ensemble 7 126 255 - CB_GB1_15 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 256 - CB_GB1_15 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 263 - CB_GB1_15 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 264 + CB_GB1_15 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 256 + CB_GB1_15 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 263 + CB_GB1_15 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 264 CB_GB1_15 O_GB1_31 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.580036e-05 0.004395 0.007862 True md_ensemble 7 126 265 - CB_GB1_15 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 266 - CB_GB1_15 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 271 + CB_GB1_15 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 266 + CB_GB1_15 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 271 CB_GB1_15 OE1_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.958036e-04 0.004395 0.007862 True md_ensemble 7 126 272 - CB_GB1_15 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 273 - CB_GB1_15 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 274 + CB_GB1_15 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 273 + CB_GB1_15 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 274 CB_GB1_15 O_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 126 275 - CB_GB1_15 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 276 - CB_GB1_15 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 286 - CB_GB1_15 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 287 + CB_GB1_15 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 276 + CB_GB1_15 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 286 + CB_GB1_15 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 287 CB_GB1_15 O_GB1_33 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.010409e-04 0.004395 0.007862 True md_ensemble 7 126 288 - CB_GB1_15 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 289 - CB_GB1_15 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 293 + CB_GB1_15 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 289 + CB_GB1_15 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 293 CB_GB1_15 O_GB1_34 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 126 294 - CB_GB1_15 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 295 - CB_GB1_15 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 299 + CB_GB1_15 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 295 + CB_GB1_15 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 299 CB_GB1_15 OD1_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.849749e-04 0.004395 0.007862 True md_ensemble 7 126 300 - CB_GB1_15 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 301 - CB_GB1_15 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 302 + CB_GB1_15 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 301 + CB_GB1_15 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 302 CB_GB1_15 O_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 126 303 - CB_GB1_15 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 304 - CB_GB1_15 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 308 - CB_GB1_15 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 309 - CB_GB1_15 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 310 - CB_GB1_15 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 311 + CB_GB1_15 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 304 + CB_GB1_15 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 308 + CB_GB1_15 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 309 + CB_GB1_15 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 310 + CB_GB1_15 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 311 CB_GB1_15 O_GB1_36 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 126 312 - CB_GB1_15 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 313 - CB_GB1_15 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 317 + CB_GB1_15 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 313 + CB_GB1_15 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 317 CB_GB1_15 OD1_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.239295e-04 0.004395 0.007862 True md_ensemble 7 126 318 - CB_GB1_15 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 319 - CB_GB1_15 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 320 + CB_GB1_15 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 319 + CB_GB1_15 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 320 CB_GB1_15 O_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.997996e-05 0.004395 0.007862 True md_ensemble 7 126 321 - CB_GB1_15 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 322 - CB_GB1_15 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 325 + CB_GB1_15 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 322 + CB_GB1_15 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 325 CB_GB1_15 O_GB1_38 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000452e-04 0.004395 0.007862 True md_ensemble 7 126 326 - CB_GB1_15 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 327 - CB_GB1_15 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 333 + CB_GB1_15 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 327 + CB_GB1_15 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 333 CB_GB1_15 O_GB1_39 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.989940e-05 0.004395 0.007862 True md_ensemble 7 126 334 - CB_GB1_15 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 335 - CB_GB1_15 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 339 - CB_GB1_15 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 340 - CB_GB1_15 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 341 - CB_GB1_15 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 342 + CB_GB1_15 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 335 + CB_GB1_15 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 339 + CB_GB1_15 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 340 + CB_GB1_15 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 341 + CB_GB1_15 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 342 CB_GB1_15 O_GB1_40 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.200120e-05 0.004395 0.007862 True md_ensemble 7 126 343 - CB_GB1_15 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 344 - CB_GB1_15 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 347 + CB_GB1_15 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 344 + CB_GB1_15 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 347 CB_GB1_15 O_GB1_41 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.994221e-05 0.004395 0.007862 True md_ensemble 7 126 348 - CB_GB1_15 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 349 - CB_GB1_15 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 354 - CB_GB1_15 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 355 - CB_GB1_15 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 356 - CB_GB1_15 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 357 + CB_GB1_15 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 349 + CB_GB1_15 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 354 + CB_GB1_15 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 355 + CB_GB1_15 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 356 + CB_GB1_15 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 357 CB_GB1_15 O_GB1_42 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 126 358 - CB_GB1_15 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 359 - CB_GB1_15 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 366 - CB_GB1_15 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 372 + CB_GB1_15 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 359 + CB_GB1_15 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 366 + CB_GB1_15 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 372 CB_GB1_15 O_GB1_43 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.105116e-04 0.004395 0.007862 True md_ensemble 7 126 373 - CB_GB1_15 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 374 - CB_GB1_15 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 378 - CB_GB1_15 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 380 + CB_GB1_15 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 374 + CB_GB1_15 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 378 + CB_GB1_15 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 380 CB_GB1_15 O_GB1_44 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 126 381 - CB_GB1_15 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 382 - CB_GB1_15 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 392 - CB_GB1_15 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 393 + CB_GB1_15 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 382 + CB_GB1_15 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 392 + CB_GB1_15 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 393 CB_GB1_15 O_GB1_45 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 126 394 - CB_GB1_15 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 395 - CB_GB1_15 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 399 - CB_GB1_15 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 400 - CB_GB1_15 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 401 - CB_GB1_15 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 402 + CB_GB1_15 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 395 + CB_GB1_15 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 399 + CB_GB1_15 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 400 + CB_GB1_15 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 401 + CB_GB1_15 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 402 CB_GB1_15 O_GB1_46 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.840437e-05 0.004395 0.007862 True md_ensemble 7 126 403 - CB_GB1_15 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 404 - CB_GB1_15 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 408 - CB_GB1_15 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 409 - CB_GB1_15 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 410 - CB_GB1_15 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 411 + CB_GB1_15 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 404 + CB_GB1_15 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 408 + CB_GB1_15 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 409 + CB_GB1_15 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 410 + CB_GB1_15 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 411 CB_GB1_15 O_GB1_47 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 126 412 - CB_GB1_15 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 413 - CB_GB1_15 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 417 + CB_GB1_15 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 413 + CB_GB1_15 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 417 CB_GB1_15 O_GB1_48 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 126 418 - CB_GB1_15 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 419 - CB_GB1_15 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 423 - CB_GB1_15 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 425 + CB_GB1_15 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 419 + CB_GB1_15 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 423 + CB_GB1_15 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 425 CB_GB1_15 O_GB1_49 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.212792e-05 0.004395 0.007862 True md_ensemble 7 126 426 - CB_GB1_15 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 427 - CB_GB1_15 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 434 - CB_GB1_15 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 435 + CB_GB1_15 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 427 + CB_GB1_15 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 434 + CB_GB1_15 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 435 CB_GB1_15 O_GB1_50 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 126 436 - CB_GB1_15 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 437 - CB_GB1_15 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 441 - CB_GB1_15 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 443 + CB_GB1_15 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 437 + CB_GB1_15 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 441 + CB_GB1_15 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 443 CB_GB1_15 O_GB1_51 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 126 444 - CB_GB1_15 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 445 - CB_GB1_15 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 455 + CB_GB1_15 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 445 + CB_GB1_15 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 455 CB_GB1_15 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.520286e-05 0.004395 0.007862 True md_ensemble 7 126 456 - CB_GB1_15 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 457 - CB_GB1_15 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 461 - CB_GB1_15 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 463 + CB_GB1_15 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 457 + CB_GB1_15 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 461 + CB_GB1_15 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 463 CB_GB1_15 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 126 464 - CB_GB1_15 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 465 - CB_GB1_15 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 471 + CB_GB1_15 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 465 + CB_GB1_15 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 471 CB_GB1_15 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 126 472 - CB_GB1_15 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 473 - CB_GB1_15 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 477 - CB_GB1_15 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 479 + CB_GB1_15 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 473 + CB_GB1_15 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 477 + CB_GB1_15 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 479 CB_GB1_15 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.994226e-05 0.004395 0.007862 True md_ensemble 7 126 480 - CB_GB1_15 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 481 - CB_GB1_15 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 486 - CB_GB1_15 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 487 - CB_GB1_15 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 488 - CB_GB1_15 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 489 - CB_GB1_15 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 490 - CB_GB1_15 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 491 - CG_GB1_15 CD_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 128 - CG_GB1_15 OE1_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 129 - CG_GB1_15 OE2_GB1_15 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 130 - CG_GB1_15 C_GB1_15 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 131 - CG_GB1_15 O_GB1_15 1 0.000000e+00 1.939931e-06 ; 2.977217e-01 -1.939931e-06 9.970236e-01 9.594553e-01 0.004395 0.001132 True md_ensemble 4 127 132 - CG_GB1_15 N_GB1_16 1 0.000000e+00 3.589126e-06 ; 3.133844e-01 -3.589126e-06 9.998450e-01 9.761906e-01 0.004395 0.001132 True md_ensemble 4 127 133 - CG_GB1_15 CA_GB1_16 1 0.000000e+00 2.284208e-05 ; 3.656422e-01 -2.284208e-05 9.833339e-01 7.013300e-01 0.004395 0.001132 True md_ensemble 5 127 135 - CG_GB1_15 CB_GB1_16 1 0.000000e+00 1.944322e-05 ; 3.607661e-01 -1.944322e-05 6.306440e-01 2.418037e-01 0.004395 0.001132 True md_ensemble 6 127 136 - CG_GB1_15 OG1_GB1_16 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 137 + CB_GB1_15 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 481 + CB_GB1_15 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 486 + CB_GB1_15 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 487 + CB_GB1_15 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 488 + CB_GB1_15 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 489 + CB_GB1_15 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 490 + CB_GB1_15 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 126 491 + CG_GB1_15 CD_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 128 + CG_GB1_15 OE1_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 129 + CG_GB1_15 OE2_GB1_15 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 130 + CG_GB1_15 C_GB1_15 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 131 + CG_GB1_15 O_GB1_15 1 0.000000e+00 1.939924e-06 ; 2.977216e-01 -1.939924e-06 9.970236e-01 9.594553e-01 0.004395 0.001132 True md_ensemble 4 127 132 + CG_GB1_15 N_GB1_16 1 0.000000e+00 3.589079e-06 ; 3.133841e-01 -3.589079e-06 9.998450e-01 9.761906e-01 0.004395 0.001132 True md_ensemble 4 127 133 + CG_GB1_15 CA_GB1_16 1 0.000000e+00 2.284198e-05 ; 3.656421e-01 -2.284198e-05 9.833339e-01 7.013300e-01 0.004395 0.001132 True md_ensemble 5 127 135 + CG_GB1_15 CB_GB1_16 1 0.000000e+00 1.944314e-05 ; 3.607659e-01 -1.944314e-05 6.306440e-01 2.418037e-01 0.004395 0.001132 True md_ensemble 6 127 136 + CG_GB1_15 OG1_GB1_16 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 137 CG_GB1_15 C_GB1_16 1 1.961618e-03 1.172039e-05 ; 4.259788e-01 8.207800e-02 5.091231e-01 1.037271e-01 0.004395 0.001132 True md_ensemble 6 127 139 CG_GB1_15 O_GB1_16 1 2.324080e-03 7.561888e-06 ; 3.849431e-01 1.785715e-01 2.630256e-01 5.735686e-02 0.004395 0.007862 True md_ensemble 7 127 140 - CG_GB1_15 N_GB1_17 1 0.000000e+00 3.819595e-06 ; 3.150139e-01 -3.819595e-06 1.173598e-02 5.077577e-02 0.004395 0.001132 True md_ensemble 7 127 141 - CG_GB1_15 CA_GB1_17 1 0.000000e+00 3.301411e-05 ; 3.770393e-01 -3.301411e-05 4.556693e-02 8.330095e-02 0.004395 0.007117 True md_ensemble 7 127 143 - CG_GB1_15 CB_GB1_17 1 0.000000e+00 3.290179e-05 ; 3.769322e-01 -3.290179e-05 5.224474e-02 8.644821e-02 0.004395 0.007117 True md_ensemble 7 127 144 - CG_GB1_15 OG1_GB1_17 1 0.000000e+00 2.851847e-06 ; 3.074366e-01 -2.851847e-06 2.135687e-02 4.590921e-02 0.004395 0.001132 True md_ensemble 7 127 145 + CG_GB1_15 N_GB1_17 1 0.000000e+00 3.819545e-06 ; 3.150136e-01 -3.819545e-06 1.173598e-02 5.077577e-02 0.004395 0.001132 True md_ensemble 7 127 141 + CG_GB1_15 CA_GB1_17 1 0.000000e+00 3.301397e-05 ; 3.770392e-01 -3.301397e-05 4.556693e-02 8.330095e-02 0.004395 0.007117 True md_ensemble 7 127 143 + CG_GB1_15 CB_GB1_17 1 0.000000e+00 3.290165e-05 ; 3.769321e-01 -3.290165e-05 5.224474e-02 8.644821e-02 0.004395 0.007117 True md_ensemble 7 127 144 + CG_GB1_15 OG1_GB1_17 1 0.000000e+00 2.851805e-06 ; 3.074362e-01 -2.851805e-06 2.135687e-02 4.590921e-02 0.004395 0.001132 True md_ensemble 7 127 145 CG_GB1_15 CG2_GB1_17 1 4.878949e-03 3.194317e-05 ; 4.325224e-01 1.863007e-01 1.742206e-01 5.055163e-02 0.004395 0.012151 True md_ensemble 7 127 146 - CG_GB1_15 C_GB1_17 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 147 + CG_GB1_15 C_GB1_17 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 147 CG_GB1_15 O_GB1_17 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.220271e-02 0.004395 0.007862 True md_ensemble 7 127 148 - CG_GB1_15 N_GB1_18 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 149 - CG_GB1_15 OG1_GB1_18 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 153 - CG_GB1_15 C_GB1_18 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 155 + CG_GB1_15 N_GB1_18 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 149 + CG_GB1_15 OG1_GB1_18 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 153 + CG_GB1_15 C_GB1_18 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 155 CG_GB1_15 O_GB1_18 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.989819e-03 0.004395 0.007862 True md_ensemble 7 127 156 - CG_GB1_15 N_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 157 - CG_GB1_15 CD_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 162 - CG_GB1_15 OE1_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 163 - CG_GB1_15 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 164 - CG_GB1_15 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 165 + CG_GB1_15 N_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 157 + CG_GB1_15 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 162 + CG_GB1_15 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 163 + CG_GB1_15 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 164 + CG_GB1_15 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 165 CG_GB1_15 O_GB1_19 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 8.093198e-04 0.004395 0.007862 True md_ensemble 7 127 166 - CG_GB1_15 N_GB1_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 167 - CG_GB1_15 C_GB1_20 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 171 + CG_GB1_15 N_GB1_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 167 + CG_GB1_15 C_GB1_20 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 171 CG_GB1_15 O_GB1_20 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 8.100264e-04 0.004395 0.007862 True md_ensemble 7 127 172 - CG_GB1_15 N_GB1_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 173 - CG_GB1_15 C_GB1_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 179 + CG_GB1_15 N_GB1_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 173 + CG_GB1_15 C_GB1_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 179 CG_GB1_15 O_GB1_21 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.010293e-04 0.004395 0.007862 True md_ensemble 7 127 180 - CG_GB1_15 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 181 - CG_GB1_15 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 185 - CG_GB1_15 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 186 - CG_GB1_15 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 187 - CG_GB1_15 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 188 + CG_GB1_15 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 181 + CG_GB1_15 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 185 + CG_GB1_15 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 186 + CG_GB1_15 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 187 + CG_GB1_15 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 188 CG_GB1_15 O_GB1_22 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.585047e-04 0.004395 0.007862 True md_ensemble 7 127 189 - CG_GB1_15 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 190 - CG_GB1_15 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 194 + CG_GB1_15 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 190 + CG_GB1_15 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 194 CG_GB1_15 O_GB1_23 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.063767e-04 0.004395 0.007862 True md_ensemble 7 127 195 - CG_GB1_15 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 196 - CG_GB1_15 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 200 + CG_GB1_15 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 196 + CG_GB1_15 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 200 CG_GB1_15 O_GB1_24 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.483042e-04 0.004395 0.007862 True md_ensemble 7 127 201 - CG_GB1_15 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 202 - CG_GB1_15 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 206 - CG_GB1_15 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 208 + CG_GB1_15 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 202 + CG_GB1_15 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 206 + CG_GB1_15 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 208 CG_GB1_15 O_GB1_25 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.137700e-05 0.004395 0.007862 True md_ensemble 7 127 209 - CG_GB1_15 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 210 - CG_GB1_15 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 214 + CG_GB1_15 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 210 + CG_GB1_15 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 214 CG_GB1_15 O_GB1_26 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.542379e-04 0.004395 0.007862 True md_ensemble 7 127 215 - CG_GB1_15 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 216 - CG_GB1_15 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 221 - CG_GB1_15 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 222 - CG_GB1_15 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 223 - CG_GB1_15 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 224 + CG_GB1_15 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 216 + CG_GB1_15 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 221 + CG_GB1_15 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 222 + CG_GB1_15 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 223 + CG_GB1_15 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 224 CG_GB1_15 O_GB1_27 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.008070e-04 0.004395 0.007862 True md_ensemble 7 127 225 - CG_GB1_15 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 226 - CG_GB1_15 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 233 - CG_GB1_15 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 234 + CG_GB1_15 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 226 + CG_GB1_15 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 233 + CG_GB1_15 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 234 CG_GB1_15 O_GB1_28 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000419e-04 0.004395 0.007862 True md_ensemble 7 127 235 - CG_GB1_15 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 236 - CG_GB1_15 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 242 + CG_GB1_15 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 236 + CG_GB1_15 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 242 CG_GB1_15 O_GB1_29 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.997558e-05 0.004395 0.007862 True md_ensemble 7 127 243 - CG_GB1_15 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 244 - CG_GB1_15 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 254 + CG_GB1_15 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 244 + CG_GB1_15 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 254 CG_GB1_15 O_GB1_30 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 127 255 - CG_GB1_15 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 256 - CG_GB1_15 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 263 - CG_GB1_15 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 264 + CG_GB1_15 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 256 + CG_GB1_15 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 263 + CG_GB1_15 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 264 CG_GB1_15 O_GB1_31 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.000991e-04 0.004395 0.007862 True md_ensemble 7 127 265 - CG_GB1_15 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 266 - CG_GB1_15 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 271 + CG_GB1_15 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 266 + CG_GB1_15 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 271 CG_GB1_15 OE1_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.163770e-04 0.004395 0.007862 True md_ensemble 7 127 272 - CG_GB1_15 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 273 - CG_GB1_15 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 274 + CG_GB1_15 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 273 + CG_GB1_15 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 274 CG_GB1_15 O_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.999464e-04 0.004395 0.007862 True md_ensemble 7 127 275 - CG_GB1_15 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 276 - CG_GB1_15 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 286 - CG_GB1_15 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 287 + CG_GB1_15 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 276 + CG_GB1_15 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 286 + CG_GB1_15 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 287 CG_GB1_15 O_GB1_33 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.929737e-04 0.004395 0.007862 True md_ensemble 7 127 288 - CG_GB1_15 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 289 - CG_GB1_15 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 293 + CG_GB1_15 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 289 + CG_GB1_15 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 293 CG_GB1_15 O_GB1_34 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.934686e-05 0.004395 0.007862 True md_ensemble 7 127 294 - CG_GB1_15 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 295 - CG_GB1_15 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 299 + CG_GB1_15 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 295 + CG_GB1_15 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 299 CG_GB1_15 OD1_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.069316e-04 0.004395 0.007862 True md_ensemble 7 127 300 - CG_GB1_15 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 301 - CG_GB1_15 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 302 + CG_GB1_15 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 301 + CG_GB1_15 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 302 CG_GB1_15 O_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 8.304971e-05 0.004395 0.007862 True md_ensemble 7 127 303 - CG_GB1_15 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 304 - CG_GB1_15 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 308 - CG_GB1_15 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 309 - CG_GB1_15 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 310 - CG_GB1_15 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 311 + CG_GB1_15 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 304 + CG_GB1_15 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 308 + CG_GB1_15 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 309 + CG_GB1_15 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 310 + CG_GB1_15 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 311 CG_GB1_15 O_GB1_36 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 127 312 - CG_GB1_15 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 313 - CG_GB1_15 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 317 + CG_GB1_15 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 313 + CG_GB1_15 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 317 CG_GB1_15 OD1_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.108733e-04 0.004395 0.007862 True md_ensemble 7 127 318 - CG_GB1_15 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 319 - CG_GB1_15 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 320 + CG_GB1_15 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 319 + CG_GB1_15 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 320 CG_GB1_15 O_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.271290e-04 0.004395 0.007862 True md_ensemble 7 127 321 - CG_GB1_15 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 322 - CG_GB1_15 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 325 + CG_GB1_15 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 322 + CG_GB1_15 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 325 CG_GB1_15 O_GB1_38 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.000805e-04 0.004395 0.007862 True md_ensemble 7 127 326 - CG_GB1_15 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 327 - CG_GB1_15 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 333 + CG_GB1_15 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 327 + CG_GB1_15 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 333 CG_GB1_15 O_GB1_39 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.806634e-05 0.004395 0.007862 True md_ensemble 7 127 334 - CG_GB1_15 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 335 - CG_GB1_15 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 339 - CG_GB1_15 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 340 - CG_GB1_15 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 341 - CG_GB1_15 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 342 + CG_GB1_15 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 335 + CG_GB1_15 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 339 + CG_GB1_15 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 340 + CG_GB1_15 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 341 + CG_GB1_15 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 342 CG_GB1_15 O_GB1_40 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.995046e-05 0.004395 0.007862 True md_ensemble 7 127 343 - CG_GB1_15 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 344 - CG_GB1_15 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 347 + CG_GB1_15 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 344 + CG_GB1_15 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 347 CG_GB1_15 O_GB1_41 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000232e-04 0.004395 0.007862 True md_ensemble 7 127 348 - CG_GB1_15 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 349 - CG_GB1_15 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 354 - CG_GB1_15 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 355 - CG_GB1_15 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 356 - CG_GB1_15 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 357 + CG_GB1_15 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 349 + CG_GB1_15 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 354 + CG_GB1_15 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 355 + CG_GB1_15 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 356 + CG_GB1_15 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 357 CG_GB1_15 O_GB1_42 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.829950e-04 0.004395 0.007862 True md_ensemble 7 127 358 - CG_GB1_15 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 359 - CG_GB1_15 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 366 - CG_GB1_15 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 372 + CG_GB1_15 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 359 + CG_GB1_15 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 366 + CG_GB1_15 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 372 CG_GB1_15 O_GB1_43 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.180568e-05 0.004395 0.007862 True md_ensemble 7 127 373 - CG_GB1_15 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 374 - CG_GB1_15 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 378 - CG_GB1_15 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 380 + CG_GB1_15 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 374 + CG_GB1_15 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 378 + CG_GB1_15 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 380 CG_GB1_15 O_GB1_44 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.990887e-05 0.004395 0.007862 True md_ensemble 7 127 381 - CG_GB1_15 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 382 - CG_GB1_15 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 392 - CG_GB1_15 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 393 + CG_GB1_15 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 382 + CG_GB1_15 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 392 + CG_GB1_15 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 393 CG_GB1_15 O_GB1_45 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.545861e-07 0.004395 0.007862 True md_ensemble 7 127 394 - CG_GB1_15 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 395 - CG_GB1_15 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 399 - CG_GB1_15 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 400 - CG_GB1_15 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 401 - CG_GB1_15 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 402 + CG_GB1_15 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 395 + CG_GB1_15 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 399 + CG_GB1_15 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 400 + CG_GB1_15 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 401 + CG_GB1_15 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 402 CG_GB1_15 O_GB1_46 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.001163e-04 0.004395 0.007862 True md_ensemble 7 127 403 - CG_GB1_15 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 404 - CG_GB1_15 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 408 - CG_GB1_15 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 409 - CG_GB1_15 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 410 - CG_GB1_15 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 411 + CG_GB1_15 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 404 + CG_GB1_15 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 408 + CG_GB1_15 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 409 + CG_GB1_15 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 410 + CG_GB1_15 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 411 CG_GB1_15 O_GB1_47 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 127 412 - CG_GB1_15 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 413 - CG_GB1_15 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 417 + CG_GB1_15 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 413 + CG_GB1_15 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 417 CG_GB1_15 O_GB1_48 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.530443e-07 0.004395 0.007862 True md_ensemble 7 127 418 - CG_GB1_15 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 419 - CG_GB1_15 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 423 - CG_GB1_15 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 425 + CG_GB1_15 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 419 + CG_GB1_15 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 423 + CG_GB1_15 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 425 CG_GB1_15 O_GB1_49 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 127 426 - CG_GB1_15 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 427 - CG_GB1_15 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 434 - CG_GB1_15 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 435 + CG_GB1_15 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 427 + CG_GB1_15 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 434 + CG_GB1_15 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 435 CG_GB1_15 O_GB1_50 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 127 436 - CG_GB1_15 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 437 - CG_GB1_15 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 441 - CG_GB1_15 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 443 + CG_GB1_15 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 437 + CG_GB1_15 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 441 + CG_GB1_15 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 443 CG_GB1_15 O_GB1_51 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 127 444 - CG_GB1_15 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 445 - CG_GB1_15 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 455 + CG_GB1_15 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 445 + CG_GB1_15 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 455 CG_GB1_15 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.259586e-04 0.004395 0.007862 True md_ensemble 7 127 456 - CG_GB1_15 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 457 - CG_GB1_15 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 461 - CG_GB1_15 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 463 + CG_GB1_15 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 457 + CG_GB1_15 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 461 + CG_GB1_15 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 463 CG_GB1_15 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 127 464 - CG_GB1_15 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 465 - CG_GB1_15 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 471 + CG_GB1_15 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 465 + CG_GB1_15 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 471 CG_GB1_15 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 127 472 - CG_GB1_15 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 473 - CG_GB1_15 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 477 - CG_GB1_15 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 479 + CG_GB1_15 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 473 + CG_GB1_15 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 477 + CG_GB1_15 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 479 CG_GB1_15 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 127 480 - CG_GB1_15 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 481 - CG_GB1_15 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 486 - CG_GB1_15 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 487 - CG_GB1_15 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 488 - CG_GB1_15 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 489 - CG_GB1_15 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 490 - CG_GB1_15 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 491 - CD_GB1_15 C_GB1_15 1 0.000000e+00 1.793110e-06 ; 2.957755e-01 -1.793110e-06 9.341369e-01 6.241740e-01 0.004395 0.001132 True md_ensemble 4 128 131 - CD_GB1_15 O_GB1_15 1 0.000000e+00 8.644637e-07 ; 2.783282e-01 -8.644637e-07 5.686456e-02 1.022375e-01 0.004395 0.001132 True md_ensemble 5 128 132 - CD_GB1_15 N_GB1_16 1 0.000000e+00 1.398883e-06 ; 2.897189e-01 -1.398883e-06 1.309802e-01 5.852993e-02 0.004395 0.001132 True md_ensemble 5 128 133 + CG_GB1_15 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 481 + CG_GB1_15 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 486 + CG_GB1_15 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 487 + CG_GB1_15 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 488 + CG_GB1_15 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 489 + CG_GB1_15 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 490 + CG_GB1_15 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 127 491 + CD_GB1_15 C_GB1_15 1 0.000000e+00 1.793078e-06 ; 2.957751e-01 -1.793078e-06 9.341369e-01 6.241740e-01 0.004395 0.001132 True md_ensemble 4 128 131 + CD_GB1_15 O_GB1_15 1 0.000000e+00 8.644597e-07 ; 2.783281e-01 -8.644597e-07 5.686456e-02 1.022375e-01 0.004395 0.001132 True md_ensemble 5 128 132 + CD_GB1_15 N_GB1_16 1 0.000000e+00 1.398863e-06 ; 2.897185e-01 -1.398863e-06 1.309802e-01 5.852993e-02 0.004395 0.001132 True md_ensemble 5 128 133 CD_GB1_15 CA_GB1_16 1 3.883348e-03 4.891692e-05 ; 4.823646e-01 7.707146e-02 1.555035e-01 3.491038e-02 0.004395 0.001132 True md_ensemble 6 128 135 - CD_GB1_15 CB_GB1_16 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 136 - CD_GB1_15 CG2_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 138 - CD_GB1_15 CB_GB1_17 1 0.000000e+00 1.353157e-05 ; 3.500317e-01 -1.353157e-05 4.720197e-03 4.147404e-02 0.004395 0.001132 True md_ensemble 7 128 144 - CD_GB1_15 OG1_GB1_17 1 0.000000e+00 1.167808e-06 ; 2.853925e-01 -1.167808e-06 7.146155e-03 2.978040e-02 0.004395 0.011584 True md_ensemble 7 128 145 - CD_GB1_15 CG2_GB1_17 1 0.000000e+00 4.696626e-06 ; 3.204871e-01 -4.696626e-06 3.609363e-02 2.985395e-02 0.004395 0.001132 True md_ensemble 7 128 146 - CD_GB1_15 CB_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 152 - CD_GB1_15 CG2_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 154 - CD_GB1_15 CB_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 160 - CD_GB1_15 CG_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 161 - CD_GB1_15 CB_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 170 - CD_GB1_15 CB_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 176 - CD_GB1_15 CG1_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 177 - CD_GB1_15 CG2_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 178 - CD_GB1_15 CB_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 184 - CD_GB1_15 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 193 - CD_GB1_15 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 199 - CD_GB1_15 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 205 - CD_GB1_15 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 207 - CD_GB1_15 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 213 - CD_GB1_15 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 219 - CD_GB1_15 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 220 - CD_GB1_15 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 229 - CD_GB1_15 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 230 - CD_GB1_15 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 231 - CD_GB1_15 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 232 - CD_GB1_15 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 239 - CD_GB1_15 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 240 - CD_GB1_15 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 241 - CD_GB1_15 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 247 - CD_GB1_15 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 259 - CD_GB1_15 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 260 - CD_GB1_15 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 261 - CD_GB1_15 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 262 - CD_GB1_15 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 269 - CD_GB1_15 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 270 - CD_GB1_15 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 279 - CD_GB1_15 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 292 - CD_GB1_15 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 298 - CD_GB1_15 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 307 - CD_GB1_15 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 316 - CD_GB1_15 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 324 - CD_GB1_15 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 330 - CD_GB1_15 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 331 - CD_GB1_15 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 332 - CD_GB1_15 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 338 - CD_GB1_15 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 346 - CD_GB1_15 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 352 - CD_GB1_15 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 353 - CD_GB1_15 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 362 - CD_GB1_15 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 377 - CD_GB1_15 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 379 - CD_GB1_15 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 385 - CD_GB1_15 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 398 - CD_GB1_15 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 407 - CD_GB1_15 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 416 - CD_GB1_15 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 422 - CD_GB1_15 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 424 - CD_GB1_15 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 430 - CD_GB1_15 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 431 - CD_GB1_15 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 432 - CD_GB1_15 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 433 - CD_GB1_15 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 440 - CD_GB1_15 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 442 - CD_GB1_15 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 448 - CD_GB1_15 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 460 - CD_GB1_15 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 462 - CD_GB1_15 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 468 - CD_GB1_15 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 469 - CD_GB1_15 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 470 - CD_GB1_15 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 476 - CD_GB1_15 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 478 - CD_GB1_15 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 484 - CD_GB1_15 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 485 + CD_GB1_15 CB_GB1_16 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 136 + CD_GB1_15 CG2_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 138 + CD_GB1_15 CB_GB1_17 1 0.000000e+00 1.353150e-05 ; 3.500315e-01 -1.353150e-05 4.720197e-03 4.147404e-02 0.004395 0.001132 True md_ensemble 7 128 144 + CD_GB1_15 OG1_GB1_17 1 0.000000e+00 1.167790e-06 ; 2.853922e-01 -1.167790e-06 7.146155e-03 2.978040e-02 0.004395 0.011584 True md_ensemble 7 128 145 + CD_GB1_15 CG2_GB1_17 1 0.000000e+00 4.696565e-06 ; 3.204867e-01 -4.696565e-06 3.609363e-02 2.985395e-02 0.004395 0.001132 True md_ensemble 7 128 146 + CD_GB1_15 CB_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 152 + CD_GB1_15 CG2_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 154 + CD_GB1_15 CB_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 160 + CD_GB1_15 CG_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 161 + CD_GB1_15 CB_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 170 + CD_GB1_15 CB_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 176 + CD_GB1_15 CG1_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 177 + CD_GB1_15 CG2_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 178 + CD_GB1_15 CB_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 184 + CD_GB1_15 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 193 + CD_GB1_15 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 199 + CD_GB1_15 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 205 + CD_GB1_15 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 207 + CD_GB1_15 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 213 + CD_GB1_15 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 219 + CD_GB1_15 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 220 + CD_GB1_15 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 229 + CD_GB1_15 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 230 + CD_GB1_15 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 231 + CD_GB1_15 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 232 + CD_GB1_15 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 239 + CD_GB1_15 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 240 + CD_GB1_15 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 241 + CD_GB1_15 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 247 + CD_GB1_15 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 259 + CD_GB1_15 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 260 + CD_GB1_15 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 261 + CD_GB1_15 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 262 + CD_GB1_15 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 269 + CD_GB1_15 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 270 + CD_GB1_15 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 279 + CD_GB1_15 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 292 + CD_GB1_15 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 298 + CD_GB1_15 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 307 + CD_GB1_15 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 316 + CD_GB1_15 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 324 + CD_GB1_15 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 330 + CD_GB1_15 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 331 + CD_GB1_15 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 332 + CD_GB1_15 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 338 + CD_GB1_15 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 346 + CD_GB1_15 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 352 + CD_GB1_15 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 353 + CD_GB1_15 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 362 + CD_GB1_15 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 377 + CD_GB1_15 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 379 + CD_GB1_15 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 385 + CD_GB1_15 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 398 + CD_GB1_15 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 407 + CD_GB1_15 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 416 + CD_GB1_15 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 422 + CD_GB1_15 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 424 + CD_GB1_15 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 430 + CD_GB1_15 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 431 + CD_GB1_15 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 432 + CD_GB1_15 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 433 + CD_GB1_15 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 440 + CD_GB1_15 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 442 + CD_GB1_15 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 448 + CD_GB1_15 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 460 + CD_GB1_15 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 462 + CD_GB1_15 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 468 + CD_GB1_15 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 469 + CD_GB1_15 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 470 + CD_GB1_15 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 476 + CD_GB1_15 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 478 + CD_GB1_15 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 484 + CD_GB1_15 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 128 485 OE1_GB1_15 OE1_GB1_15 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 129 OE1_GB1_15 OE2_GB1_15 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 130 -OE1_GB1_15 C_GB1_15 1 0.000000e+00 6.788118e-07 ; 2.727768e-01 -6.788118e-07 1.562655e-02 2.968446e-02 0.004395 0.001132 True md_ensemble 5 129 131 +OE1_GB1_15 C_GB1_15 1 0.000000e+00 6.788088e-07 ; 2.727767e-01 -6.788088e-07 1.562655e-02 2.968446e-02 0.004395 0.001132 True md_ensemble 5 129 131 OE1_GB1_15 O_GB1_15 1 0.000000e+00 1.528240e-06 ; 2.918621e-01 -1.528240e-06 4.670438e-02 6.553109e-02 0.004395 0.001132 True md_ensemble 6 129 132 OE1_GB1_15 N_GB1_16 1 0.000000e+00 1.517998e-06 ; 2.916986e-01 -1.517998e-06 1.032672e-02 2.232563e-02 0.004395 0.001132 True md_ensemble 6 129 133 OE1_GB1_15 H_GB1_16 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 134 -OE1_GB1_15 CB_GB1_16 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 136 +OE1_GB1_15 CB_GB1_16 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 136 OE1_GB1_15 CG2_GB1_16 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 138 OE1_GB1_15 O_GB1_16 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 140 OE1_GB1_15 H_GB1_17 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 142 -OE1_GB1_15 CB_GB1_17 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 144 -OE1_GB1_15 OG1_GB1_17 1 0.000000e+00 2.972864e-07 ; 2.546398e-01 -2.972864e-07 5.730582e-03 1.631297e-02 0.004395 0.011584 True md_ensemble 7 129 145 +OE1_GB1_15 CB_GB1_17 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 144 +OE1_GB1_15 OG1_GB1_17 1 0.000000e+00 2.972856e-07 ; 2.546397e-01 -2.972856e-07 5.730582e-03 1.631297e-02 0.004395 0.011584 True md_ensemble 7 129 145 OE1_GB1_15 CG2_GB1_17 1 0.000000e+00 1.216853e-06 ; 2.863726e-01 -1.216853e-06 1.502535e-02 1.452272e-02 0.004395 0.001132 True md_ensemble 7 129 146 OE1_GB1_15 O_GB1_17 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 148 OE1_GB1_15 H_GB1_18 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 150 -OE1_GB1_15 CB_GB1_18 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 152 +OE1_GB1_15 CB_GB1_18 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 152 OE1_GB1_15 CG2_GB1_18 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 154 OE1_GB1_15 O_GB1_18 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 156 OE1_GB1_15 H_GB1_19 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 158 -OE1_GB1_15 CB_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 160 -OE1_GB1_15 CG_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 161 +OE1_GB1_15 CB_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 160 +OE1_GB1_15 CG_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 161 OE1_GB1_15 OE1_GB1_19 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 163 OE1_GB1_15 OE2_GB1_19 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 164 OE1_GB1_15 O_GB1_19 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 166 @@ -20898,12 +20898,12 @@ OE1_GB1_15 H_GB1_20 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e- OE1_GB1_15 CB_GB1_20 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 170 OE1_GB1_15 O_GB1_20 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 172 OE1_GB1_15 H_GB1_21 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 174 -OE1_GB1_15 CB_GB1_21 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 176 +OE1_GB1_15 CB_GB1_21 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 176 OE1_GB1_15 CG1_GB1_21 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 177 OE1_GB1_15 CG2_GB1_21 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 178 OE1_GB1_15 O_GB1_21 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 180 OE1_GB1_15 H_GB1_22 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 182 -OE1_GB1_15 CB_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 184 +OE1_GB1_15 CB_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 184 OE1_GB1_15 OD1_GB1_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 186 OE1_GB1_15 OD2_GB1_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 187 OE1_GB1_15 O_GB1_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 189 @@ -20914,101 +20914,101 @@ OE1_GB1_15 H_GB1_24 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e- OE1_GB1_15 CB_GB1_24 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 199 OE1_GB1_15 O_GB1_24 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 201 OE1_GB1_15 H_GB1_25 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 203 -OE1_GB1_15 CB_GB1_25 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 205 +OE1_GB1_15 CB_GB1_25 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 205 OE1_GB1_15 CG2_GB1_25 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 207 OE1_GB1_15 O_GB1_25 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 209 OE1_GB1_15 H_GB1_26 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 211 OE1_GB1_15 CB_GB1_26 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 213 OE1_GB1_15 O_GB1_26 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 215 OE1_GB1_15 H_GB1_27 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 217 -OE1_GB1_15 CB_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 219 -OE1_GB1_15 CG_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 220 +OE1_GB1_15 CB_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 219 +OE1_GB1_15 CG_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 220 OE1_GB1_15 OE1_GB1_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 222 OE1_GB1_15 OE2_GB1_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 223 OE1_GB1_15 O_GB1_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 225 OE1_GB1_15 H_GB1_28 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 227 -OE1_GB1_15 CB_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 229 -OE1_GB1_15 CG_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 230 -OE1_GB1_15 CD_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 231 -OE1_GB1_15 CE_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 232 +OE1_GB1_15 CB_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 229 +OE1_GB1_15 CG_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 230 +OE1_GB1_15 CD_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 231 +OE1_GB1_15 CE_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 232 OE1_GB1_15 O_GB1_28 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 235 OE1_GB1_15 H_GB1_29 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 237 -OE1_GB1_15 CB_GB1_29 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 239 +OE1_GB1_15 CB_GB1_29 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 239 OE1_GB1_15 CG1_GB1_29 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 240 OE1_GB1_15 CG2_GB1_29 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 241 OE1_GB1_15 O_GB1_29 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 243 OE1_GB1_15 H_GB1_30 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 245 -OE1_GB1_15 CB_GB1_30 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 247 +OE1_GB1_15 CB_GB1_30 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 247 OE1_GB1_15 O_GB1_30 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 255 OE1_GB1_15 H_GB1_31 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 257 -OE1_GB1_15 CB_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 259 -OE1_GB1_15 CG_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 260 -OE1_GB1_15 CD_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 261 -OE1_GB1_15 CE_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 262 +OE1_GB1_15 CB_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 259 +OE1_GB1_15 CG_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 260 +OE1_GB1_15 CD_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 261 +OE1_GB1_15 CE_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 262 OE1_GB1_15 O_GB1_31 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 265 OE1_GB1_15 H_GB1_32 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 267 -OE1_GB1_15 CB_GB1_32 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 269 -OE1_GB1_15 CG_GB1_32 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 270 +OE1_GB1_15 CB_GB1_32 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 269 +OE1_GB1_15 CG_GB1_32 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 270 OE1_GB1_15 OE1_GB1_32 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 272 OE1_GB1_15 O_GB1_32 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 275 OE1_GB1_15 H_GB1_33 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 277 -OE1_GB1_15 CB_GB1_33 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 279 +OE1_GB1_15 CB_GB1_33 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 279 OE1_GB1_15 O_GB1_33 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 288 OE1_GB1_15 H_GB1_34 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 290 OE1_GB1_15 CB_GB1_34 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 292 OE1_GB1_15 O_GB1_34 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 294 OE1_GB1_15 H_GB1_35 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 296 -OE1_GB1_15 CB_GB1_35 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 298 +OE1_GB1_15 CB_GB1_35 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 298 OE1_GB1_15 OD1_GB1_35 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 300 OE1_GB1_15 O_GB1_35 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 303 OE1_GB1_15 H_GB1_36 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 305 -OE1_GB1_15 CB_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 307 +OE1_GB1_15 CB_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 307 OE1_GB1_15 OD1_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 309 OE1_GB1_15 OD2_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 310 OE1_GB1_15 O_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 312 OE1_GB1_15 H_GB1_37 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 314 -OE1_GB1_15 CB_GB1_37 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 316 +OE1_GB1_15 CB_GB1_37 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 316 OE1_GB1_15 OD1_GB1_37 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 318 OE1_GB1_15 O_GB1_37 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 321 OE1_GB1_15 H_GB1_38 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 323 -OE1_GB1_15 CA_GB1_38 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 324 +OE1_GB1_15 CA_GB1_38 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 324 OE1_GB1_15 O_GB1_38 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 326 OE1_GB1_15 H_GB1_39 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 328 -OE1_GB1_15 CB_GB1_39 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 330 +OE1_GB1_15 CB_GB1_39 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 330 OE1_GB1_15 CG1_GB1_39 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 331 OE1_GB1_15 CG2_GB1_39 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 332 OE1_GB1_15 O_GB1_39 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 334 OE1_GB1_15 H_GB1_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 336 -OE1_GB1_15 CB_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 338 +OE1_GB1_15 CB_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 338 OE1_GB1_15 OD1_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 340 OE1_GB1_15 OD2_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 341 OE1_GB1_15 O_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 343 OE1_GB1_15 H_GB1_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 345 -OE1_GB1_15 CA_GB1_41 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 346 +OE1_GB1_15 CA_GB1_41 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 346 OE1_GB1_15 O_GB1_41 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 348 OE1_GB1_15 H_GB1_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 350 -OE1_GB1_15 CB_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 352 -OE1_GB1_15 CG_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 353 +OE1_GB1_15 CB_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 352 +OE1_GB1_15 CG_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 353 OE1_GB1_15 OE1_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 355 OE1_GB1_15 OE2_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 356 OE1_GB1_15 O_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 358 OE1_GB1_15 H_GB1_43 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 360 -OE1_GB1_15 CB_GB1_43 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 362 +OE1_GB1_15 CB_GB1_43 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 362 OE1_GB1_15 O_GB1_43 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 373 OE1_GB1_15 H_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 375 -OE1_GB1_15 CB_GB1_44 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 377 +OE1_GB1_15 CB_GB1_44 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 377 OE1_GB1_15 CG2_GB1_44 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 379 OE1_GB1_15 O_GB1_44 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 381 OE1_GB1_15 H_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 383 -OE1_GB1_15 CB_GB1_45 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 385 +OE1_GB1_15 CB_GB1_45 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 385 OE1_GB1_15 O_GB1_45 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 394 OE1_GB1_15 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 396 -OE1_GB1_15 CB_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 398 +OE1_GB1_15 CB_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 398 OE1_GB1_15 OD1_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 400 OE1_GB1_15 OD2_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 401 OE1_GB1_15 O_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 403 OE1_GB1_15 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 405 -OE1_GB1_15 CB_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 407 +OE1_GB1_15 CB_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 407 OE1_GB1_15 OD1_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 409 OE1_GB1_15 OD2_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 410 OE1_GB1_15 O_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 412 @@ -21016,62 +21016,62 @@ OE1_GB1_15 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e- OE1_GB1_15 CB_GB1_48 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 416 OE1_GB1_15 O_GB1_48 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 418 OE1_GB1_15 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 420 -OE1_GB1_15 CB_GB1_49 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 422 +OE1_GB1_15 CB_GB1_49 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 422 OE1_GB1_15 CG2_GB1_49 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 424 OE1_GB1_15 O_GB1_49 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 426 OE1_GB1_15 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 428 -OE1_GB1_15 CB_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 430 -OE1_GB1_15 CG_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 431 -OE1_GB1_15 CD_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 432 -OE1_GB1_15 CE_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 433 +OE1_GB1_15 CB_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 430 +OE1_GB1_15 CG_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 431 +OE1_GB1_15 CD_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 432 +OE1_GB1_15 CE_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 433 OE1_GB1_15 O_GB1_50 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 436 OE1_GB1_15 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 438 -OE1_GB1_15 CB_GB1_51 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 440 +OE1_GB1_15 CB_GB1_51 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 440 OE1_GB1_15 CG2_GB1_51 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 442 OE1_GB1_15 O_GB1_51 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 444 OE1_GB1_15 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 446 -OE1_GB1_15 CB_GB1_52 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 448 +OE1_GB1_15 CB_GB1_52 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 448 OE1_GB1_15 O_GB1_52 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 456 OE1_GB1_15 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 458 -OE1_GB1_15 CB_GB1_53 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 460 +OE1_GB1_15 CB_GB1_53 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 460 OE1_GB1_15 CG2_GB1_53 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 462 OE1_GB1_15 O_GB1_53 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 464 OE1_GB1_15 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 466 -OE1_GB1_15 CB_GB1_54 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 468 +OE1_GB1_15 CB_GB1_54 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 468 OE1_GB1_15 CG1_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 469 OE1_GB1_15 CG2_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 470 OE1_GB1_15 O_GB1_54 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 472 OE1_GB1_15 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 474 -OE1_GB1_15 CB_GB1_55 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 476 +OE1_GB1_15 CB_GB1_55 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 476 OE1_GB1_15 CG2_GB1_55 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 478 OE1_GB1_15 O_GB1_55 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 480 OE1_GB1_15 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 482 -OE1_GB1_15 CB_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 484 -OE1_GB1_15 CG_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 485 +OE1_GB1_15 CB_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 484 +OE1_GB1_15 CG_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 485 OE1_GB1_15 OE1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 487 OE1_GB1_15 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 488 OE1_GB1_15 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 490 OE1_GB1_15 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 129 491 OE2_GB1_15 OE2_GB1_15 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 130 -OE2_GB1_15 C_GB1_15 1 0.000000e+00 6.788118e-07 ; 2.727768e-01 -6.788118e-07 1.562655e-02 2.968446e-02 0.004395 0.001132 True md_ensemble 5 130 131 +OE2_GB1_15 C_GB1_15 1 0.000000e+00 6.788088e-07 ; 2.727767e-01 -6.788088e-07 1.562655e-02 2.968446e-02 0.004395 0.001132 True md_ensemble 5 130 131 OE2_GB1_15 O_GB1_15 1 0.000000e+00 1.528240e-06 ; 2.918621e-01 -1.528240e-06 4.670438e-02 6.553109e-02 0.004395 0.001132 True md_ensemble 6 130 132 OE2_GB1_15 N_GB1_16 1 0.000000e+00 1.517998e-06 ; 2.916986e-01 -1.517998e-06 1.032672e-02 2.232563e-02 0.004395 0.001132 True md_ensemble 6 130 133 OE2_GB1_15 H_GB1_16 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 134 -OE2_GB1_15 CB_GB1_16 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 136 +OE2_GB1_15 CB_GB1_16 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 136 OE2_GB1_15 CG2_GB1_16 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 138 OE2_GB1_15 O_GB1_16 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 140 OE2_GB1_15 H_GB1_17 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 142 -OE2_GB1_15 CB_GB1_17 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 144 -OE2_GB1_15 OG1_GB1_17 1 0.000000e+00 2.972864e-07 ; 2.546398e-01 -2.972864e-07 5.730582e-03 1.631297e-02 0.004395 0.011584 True md_ensemble 7 130 145 +OE2_GB1_15 CB_GB1_17 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 144 +OE2_GB1_15 OG1_GB1_17 1 0.000000e+00 2.972856e-07 ; 2.546397e-01 -2.972856e-07 5.730582e-03 1.631297e-02 0.004395 0.011584 True md_ensemble 7 130 145 OE2_GB1_15 CG2_GB1_17 1 0.000000e+00 1.216853e-06 ; 2.863726e-01 -1.216853e-06 1.502535e-02 1.452272e-02 0.004395 0.001132 True md_ensemble 7 130 146 OE2_GB1_15 O_GB1_17 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 148 OE2_GB1_15 H_GB1_18 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 150 -OE2_GB1_15 CB_GB1_18 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 152 +OE2_GB1_15 CB_GB1_18 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 152 OE2_GB1_15 CG2_GB1_18 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 154 OE2_GB1_15 O_GB1_18 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 156 OE2_GB1_15 H_GB1_19 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 158 -OE2_GB1_15 CB_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 160 -OE2_GB1_15 CG_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 161 +OE2_GB1_15 CB_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 160 +OE2_GB1_15 CG_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 161 OE2_GB1_15 OE1_GB1_19 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 163 OE2_GB1_15 OE2_GB1_19 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 164 OE2_GB1_15 O_GB1_19 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 166 @@ -21079,12 +21079,12 @@ OE2_GB1_15 H_GB1_20 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e- OE2_GB1_15 CB_GB1_20 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 170 OE2_GB1_15 O_GB1_20 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 172 OE2_GB1_15 H_GB1_21 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 174 -OE2_GB1_15 CB_GB1_21 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 176 +OE2_GB1_15 CB_GB1_21 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 176 OE2_GB1_15 CG1_GB1_21 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 177 OE2_GB1_15 CG2_GB1_21 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 178 OE2_GB1_15 O_GB1_21 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 180 OE2_GB1_15 H_GB1_22 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 182 -OE2_GB1_15 CB_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 184 +OE2_GB1_15 CB_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 184 OE2_GB1_15 OD1_GB1_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 186 OE2_GB1_15 OD2_GB1_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 187 OE2_GB1_15 O_GB1_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 189 @@ -21095,101 +21095,101 @@ OE2_GB1_15 H_GB1_24 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e- OE2_GB1_15 CB_GB1_24 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 199 OE2_GB1_15 O_GB1_24 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 201 OE2_GB1_15 H_GB1_25 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 203 -OE2_GB1_15 CB_GB1_25 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 205 +OE2_GB1_15 CB_GB1_25 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 205 OE2_GB1_15 CG2_GB1_25 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 207 OE2_GB1_15 O_GB1_25 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 209 OE2_GB1_15 H_GB1_26 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 211 OE2_GB1_15 CB_GB1_26 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 213 OE2_GB1_15 O_GB1_26 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 215 OE2_GB1_15 H_GB1_27 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 217 -OE2_GB1_15 CB_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 219 -OE2_GB1_15 CG_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 220 +OE2_GB1_15 CB_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 219 +OE2_GB1_15 CG_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 220 OE2_GB1_15 OE1_GB1_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 222 OE2_GB1_15 OE2_GB1_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 223 OE2_GB1_15 O_GB1_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 225 OE2_GB1_15 H_GB1_28 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 227 -OE2_GB1_15 CB_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 229 -OE2_GB1_15 CG_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 230 -OE2_GB1_15 CD_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 231 -OE2_GB1_15 CE_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 232 +OE2_GB1_15 CB_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 229 +OE2_GB1_15 CG_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 230 +OE2_GB1_15 CD_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 231 +OE2_GB1_15 CE_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 232 OE2_GB1_15 O_GB1_28 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 235 OE2_GB1_15 H_GB1_29 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 237 -OE2_GB1_15 CB_GB1_29 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 239 +OE2_GB1_15 CB_GB1_29 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 239 OE2_GB1_15 CG1_GB1_29 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 240 OE2_GB1_15 CG2_GB1_29 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 241 OE2_GB1_15 O_GB1_29 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 243 OE2_GB1_15 H_GB1_30 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 245 -OE2_GB1_15 CB_GB1_30 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 247 +OE2_GB1_15 CB_GB1_30 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 247 OE2_GB1_15 O_GB1_30 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 255 OE2_GB1_15 H_GB1_31 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 257 -OE2_GB1_15 CB_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 259 -OE2_GB1_15 CG_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 260 -OE2_GB1_15 CD_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 261 -OE2_GB1_15 CE_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 262 +OE2_GB1_15 CB_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 259 +OE2_GB1_15 CG_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 260 +OE2_GB1_15 CD_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 261 +OE2_GB1_15 CE_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 262 OE2_GB1_15 O_GB1_31 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 265 OE2_GB1_15 H_GB1_32 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 267 -OE2_GB1_15 CB_GB1_32 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 269 -OE2_GB1_15 CG_GB1_32 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 270 +OE2_GB1_15 CB_GB1_32 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 269 +OE2_GB1_15 CG_GB1_32 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 270 OE2_GB1_15 OE1_GB1_32 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 272 OE2_GB1_15 O_GB1_32 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 275 OE2_GB1_15 H_GB1_33 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 277 -OE2_GB1_15 CB_GB1_33 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 279 +OE2_GB1_15 CB_GB1_33 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 279 OE2_GB1_15 O_GB1_33 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 288 OE2_GB1_15 H_GB1_34 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 290 OE2_GB1_15 CB_GB1_34 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 292 OE2_GB1_15 O_GB1_34 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 294 OE2_GB1_15 H_GB1_35 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 296 -OE2_GB1_15 CB_GB1_35 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 298 +OE2_GB1_15 CB_GB1_35 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 298 OE2_GB1_15 OD1_GB1_35 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 300 OE2_GB1_15 O_GB1_35 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 303 OE2_GB1_15 H_GB1_36 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 305 -OE2_GB1_15 CB_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 307 +OE2_GB1_15 CB_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 307 OE2_GB1_15 OD1_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 309 OE2_GB1_15 OD2_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 310 OE2_GB1_15 O_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 312 OE2_GB1_15 H_GB1_37 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 314 -OE2_GB1_15 CB_GB1_37 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 316 +OE2_GB1_15 CB_GB1_37 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 316 OE2_GB1_15 OD1_GB1_37 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 318 OE2_GB1_15 O_GB1_37 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 321 OE2_GB1_15 H_GB1_38 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 323 -OE2_GB1_15 CA_GB1_38 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 324 +OE2_GB1_15 CA_GB1_38 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 324 OE2_GB1_15 O_GB1_38 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 326 OE2_GB1_15 H_GB1_39 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 328 -OE2_GB1_15 CB_GB1_39 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 330 +OE2_GB1_15 CB_GB1_39 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 330 OE2_GB1_15 CG1_GB1_39 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 331 OE2_GB1_15 CG2_GB1_39 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 332 OE2_GB1_15 O_GB1_39 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 334 OE2_GB1_15 H_GB1_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 336 -OE2_GB1_15 CB_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 338 +OE2_GB1_15 CB_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 338 OE2_GB1_15 OD1_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 340 OE2_GB1_15 OD2_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 341 OE2_GB1_15 O_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 343 OE2_GB1_15 H_GB1_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 345 -OE2_GB1_15 CA_GB1_41 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 346 +OE2_GB1_15 CA_GB1_41 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 346 OE2_GB1_15 O_GB1_41 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 348 OE2_GB1_15 H_GB1_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 350 -OE2_GB1_15 CB_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 352 -OE2_GB1_15 CG_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 353 +OE2_GB1_15 CB_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 352 +OE2_GB1_15 CG_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 353 OE2_GB1_15 OE1_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 355 OE2_GB1_15 OE2_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 356 OE2_GB1_15 O_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 358 OE2_GB1_15 H_GB1_43 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 360 -OE2_GB1_15 CB_GB1_43 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 362 +OE2_GB1_15 CB_GB1_43 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 362 OE2_GB1_15 O_GB1_43 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 373 OE2_GB1_15 H_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 375 -OE2_GB1_15 CB_GB1_44 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 377 +OE2_GB1_15 CB_GB1_44 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 377 OE2_GB1_15 CG2_GB1_44 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 379 OE2_GB1_15 O_GB1_44 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 381 OE2_GB1_15 H_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 383 -OE2_GB1_15 CB_GB1_45 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 385 +OE2_GB1_15 CB_GB1_45 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 385 OE2_GB1_15 O_GB1_45 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 394 OE2_GB1_15 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 396 -OE2_GB1_15 CB_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 398 +OE2_GB1_15 CB_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 398 OE2_GB1_15 OD1_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 400 OE2_GB1_15 OD2_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 401 OE2_GB1_15 O_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 403 OE2_GB1_15 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 405 -OE2_GB1_15 CB_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 407 +OE2_GB1_15 CB_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 407 OE2_GB1_15 OD1_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 409 OE2_GB1_15 OD2_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 410 OE2_GB1_15 O_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 412 @@ -21197,131 +21197,131 @@ OE2_GB1_15 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e- OE2_GB1_15 CB_GB1_48 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 416 OE2_GB1_15 O_GB1_48 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 418 OE2_GB1_15 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 420 -OE2_GB1_15 CB_GB1_49 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 422 +OE2_GB1_15 CB_GB1_49 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 422 OE2_GB1_15 CG2_GB1_49 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 424 OE2_GB1_15 O_GB1_49 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 426 OE2_GB1_15 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 428 -OE2_GB1_15 CB_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 430 -OE2_GB1_15 CG_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 431 -OE2_GB1_15 CD_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 432 -OE2_GB1_15 CE_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 433 +OE2_GB1_15 CB_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 430 +OE2_GB1_15 CG_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 431 +OE2_GB1_15 CD_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 432 +OE2_GB1_15 CE_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 433 OE2_GB1_15 O_GB1_50 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 436 OE2_GB1_15 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 438 -OE2_GB1_15 CB_GB1_51 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 440 +OE2_GB1_15 CB_GB1_51 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 440 OE2_GB1_15 CG2_GB1_51 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 442 OE2_GB1_15 O_GB1_51 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 444 OE2_GB1_15 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 446 -OE2_GB1_15 CB_GB1_52 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 448 +OE2_GB1_15 CB_GB1_52 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 448 OE2_GB1_15 O_GB1_52 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 456 OE2_GB1_15 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 458 -OE2_GB1_15 CB_GB1_53 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 460 +OE2_GB1_15 CB_GB1_53 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 460 OE2_GB1_15 CG2_GB1_53 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 462 OE2_GB1_15 O_GB1_53 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 464 OE2_GB1_15 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 466 -OE2_GB1_15 CB_GB1_54 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 468 +OE2_GB1_15 CB_GB1_54 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 468 OE2_GB1_15 CG1_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 469 OE2_GB1_15 CG2_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 470 OE2_GB1_15 O_GB1_54 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 472 OE2_GB1_15 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 474 -OE2_GB1_15 CB_GB1_55 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 476 +OE2_GB1_15 CB_GB1_55 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 476 OE2_GB1_15 CG2_GB1_55 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 478 OE2_GB1_15 O_GB1_55 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 480 OE2_GB1_15 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 482 -OE2_GB1_15 CB_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 484 -OE2_GB1_15 CG_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 485 +OE2_GB1_15 CB_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 484 +OE2_GB1_15 CG_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 485 OE2_GB1_15 OE1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 487 OE2_GB1_15 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 488 OE2_GB1_15 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 490 OE2_GB1_15 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 130 491 - C_GB1_15 CB_GB1_16 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 136 - C_GB1_15 OG1_GB1_16 1 0.000000e+00 1.143113e-06 ; 2.848847e-01 -1.143113e-06 8.822616e-01 8.832705e-01 0.004395 0.001132 True md_ensemble 4 131 137 - C_GB1_15 CG2_GB1_16 1 0.000000e+00 4.691143e-06 ; 3.204559e-01 -4.691143e-06 1.000000e+00 9.926001e-01 0.004395 0.001132 True md_ensemble 4 131 138 - C_GB1_15 O_GB1_16 1 0.000000e+00 6.926408e-07 ; 2.732356e-01 -6.926408e-07 9.996018e-01 8.371939e-01 0.004395 0.001132 True md_ensemble 4 131 140 - C_GB1_15 N_GB1_17 1 0.000000e+00 2.184200e-06 ; 3.006787e-01 -2.184200e-06 5.197477e-01 9.680132e-01 0.004395 0.001132 True md_ensemble 4 131 141 - C_GB1_15 CA_GB1_17 1 0.000000e+00 2.367648e-05 ; 3.667370e-01 -2.367648e-05 2.692932e-02 8.409596e-01 0.004395 0.001132 True md_ensemble 5 131 143 - C_GB1_15 CB_GB1_17 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 144 - C_GB1_15 CG2_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 146 + C_GB1_15 CB_GB1_16 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 136 + C_GB1_15 OG1_GB1_16 1 0.000000e+00 1.143095e-06 ; 2.848843e-01 -1.143095e-06 8.822616e-01 8.832705e-01 0.004395 0.001132 True md_ensemble 4 131 137 + C_GB1_15 CG2_GB1_16 1 0.000000e+00 4.691082e-06 ; 3.204555e-01 -4.691082e-06 1.000000e+00 9.926001e-01 0.004395 0.001132 True md_ensemble 4 131 138 + C_GB1_15 O_GB1_16 1 0.000000e+00 6.926376e-07 ; 2.732355e-01 -6.926376e-07 9.996018e-01 8.371939e-01 0.004395 0.001132 True md_ensemble 4 131 140 + C_GB1_15 N_GB1_17 1 0.000000e+00 2.184169e-06 ; 3.006784e-01 -2.184169e-06 5.197477e-01 9.680132e-01 0.004395 0.001132 True md_ensemble 4 131 141 + C_GB1_15 CA_GB1_17 1 0.000000e+00 2.367636e-05 ; 3.667369e-01 -2.367636e-05 2.692932e-02 8.409596e-01 0.004395 0.001132 True md_ensemble 5 131 143 + C_GB1_15 CB_GB1_17 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 144 + C_GB1_15 CG2_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 146 C_GB1_15 C_GB1_17 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 0.000000e+00 1.362380e-01 0.004395 0.001132 True md_ensemble 6 131 147 - C_GB1_15 CB_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 152 - C_GB1_15 CG2_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 154 - C_GB1_15 CB_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 160 - C_GB1_15 CG_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 161 - C_GB1_15 CB_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 170 - C_GB1_15 CB_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 176 - C_GB1_15 CG1_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 177 - C_GB1_15 CG2_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 178 - C_GB1_15 CB_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 184 - C_GB1_15 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 193 - C_GB1_15 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 199 - C_GB1_15 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 205 - C_GB1_15 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 207 - C_GB1_15 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 213 - C_GB1_15 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 219 - C_GB1_15 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 220 - C_GB1_15 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 229 - C_GB1_15 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 230 - C_GB1_15 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 231 - C_GB1_15 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 232 - C_GB1_15 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 239 - C_GB1_15 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 240 - C_GB1_15 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 241 - C_GB1_15 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 247 - C_GB1_15 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 259 - C_GB1_15 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 260 - C_GB1_15 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 261 - C_GB1_15 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 262 - C_GB1_15 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 269 - C_GB1_15 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 270 - C_GB1_15 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 279 + C_GB1_15 CB_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 152 + C_GB1_15 CG2_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 154 + C_GB1_15 CB_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 160 + C_GB1_15 CG_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 161 + C_GB1_15 CB_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 170 + C_GB1_15 CB_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 176 + C_GB1_15 CG1_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 177 + C_GB1_15 CG2_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 178 + C_GB1_15 CB_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 184 + C_GB1_15 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 193 + C_GB1_15 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 199 + C_GB1_15 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 205 + C_GB1_15 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 207 + C_GB1_15 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 213 + C_GB1_15 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 219 + C_GB1_15 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 220 + C_GB1_15 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 229 + C_GB1_15 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 230 + C_GB1_15 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 231 + C_GB1_15 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 232 + C_GB1_15 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 239 + C_GB1_15 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 240 + C_GB1_15 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 241 + C_GB1_15 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 247 + C_GB1_15 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 259 + C_GB1_15 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 260 + C_GB1_15 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 261 + C_GB1_15 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 262 + C_GB1_15 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 269 + C_GB1_15 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 270 + C_GB1_15 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 279 C_GB1_15 CD1_GB1_33 1 1.584215e-03 7.810234e-06 ; 4.125485e-01 8.033491e-02 5.369897e-03 6.133303e-04 0.004395 0.015243 True md_ensemble 7 131 281 C_GB1_15 CD2_GB1_33 1 1.584215e-03 7.810234e-06 ; 4.125485e-01 8.033491e-02 5.369897e-03 6.133303e-04 0.004395 0.015243 True md_ensemble 7 131 282 C_GB1_15 CE1_GB1_33 1 2.647085e-03 8.174546e-06 ; 3.816067e-01 2.142951e-01 7.205089e-02 7.807553e-04 0.004395 0.015243 True md_ensemble 7 131 283 C_GB1_15 CE2_GB1_33 1 2.647085e-03 8.174546e-06 ; 3.816067e-01 2.142951e-01 7.205089e-02 7.807553e-04 0.004395 0.015243 True md_ensemble 7 131 284 C_GB1_15 CZ_GB1_33 1 2.832334e-03 9.144929e-06 ; 3.844495e-01 2.193050e-01 7.939851e-02 3.940481e-04 0.004395 0.015243 True md_ensemble 7 131 285 C_GB1_15 OH_GB1_33 1 1.369482e-03 2.063405e-06 ; 3.385878e-01 2.272314e-01 9.258414e-02 4.192045e-04 0.004395 0.011584 True md_ensemble 7 131 286 - C_GB1_15 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 292 - C_GB1_15 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 298 - C_GB1_15 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 307 - C_GB1_15 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 316 - C_GB1_15 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 324 - C_GB1_15 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 330 - C_GB1_15 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 331 - C_GB1_15 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 332 - C_GB1_15 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 338 - C_GB1_15 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 346 - C_GB1_15 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 352 - C_GB1_15 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 353 - C_GB1_15 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 362 - C_GB1_15 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 377 - C_GB1_15 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 379 - C_GB1_15 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 385 - C_GB1_15 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 398 - C_GB1_15 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 407 - C_GB1_15 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 416 - C_GB1_15 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 422 - C_GB1_15 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 424 - C_GB1_15 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 430 - C_GB1_15 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 431 - C_GB1_15 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 432 - C_GB1_15 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 433 - C_GB1_15 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 440 - C_GB1_15 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 442 - C_GB1_15 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 448 - C_GB1_15 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 460 - C_GB1_15 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 462 - C_GB1_15 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 468 - C_GB1_15 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 469 - C_GB1_15 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 470 - C_GB1_15 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 476 - C_GB1_15 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 478 - C_GB1_15 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 484 - C_GB1_15 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 485 + C_GB1_15 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 292 + C_GB1_15 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 298 + C_GB1_15 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 307 + C_GB1_15 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 316 + C_GB1_15 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 324 + C_GB1_15 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 330 + C_GB1_15 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 331 + C_GB1_15 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 332 + C_GB1_15 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 338 + C_GB1_15 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 346 + C_GB1_15 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 352 + C_GB1_15 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 353 + C_GB1_15 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 362 + C_GB1_15 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 377 + C_GB1_15 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 379 + C_GB1_15 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 385 + C_GB1_15 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 398 + C_GB1_15 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 407 + C_GB1_15 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 416 + C_GB1_15 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 422 + C_GB1_15 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 424 + C_GB1_15 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 430 + C_GB1_15 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 431 + C_GB1_15 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 432 + C_GB1_15 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 433 + C_GB1_15 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 440 + C_GB1_15 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 442 + C_GB1_15 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 448 + C_GB1_15 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 460 + C_GB1_15 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 462 + C_GB1_15 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 468 + C_GB1_15 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 469 + C_GB1_15 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 470 + C_GB1_15 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 476 + C_GB1_15 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 478 + C_GB1_15 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 484 + C_GB1_15 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 131 485 O_GB1_15 O_GB1_15 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 132 132 O_GB1_15 H_GB1_16 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 132 134 - O_GB1_15 CB_GB1_16 1 0.000000e+00 4.153495e-06 ; 3.172216e-01 -4.153495e-06 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 132 136 - O_GB1_15 OG1_GB1_16 1 0.000000e+00 2.620153e-07 ; 2.519739e-01 -2.620153e-07 4.352599e-01 1.562584e-01 0.004395 0.001132 True md_ensemble 5 132 137 - O_GB1_15 CG2_GB1_16 1 0.000000e+00 8.883161e-07 ; 2.789602e-01 -8.883161e-07 9.166451e-01 5.072841e-01 0.004395 0.001132 True md_ensemble 5 132 138 - O_GB1_15 C_GB1_16 1 0.000000e+00 8.242027e-07 ; 2.772242e-01 -8.242027e-07 9.979977e-01 9.946841e-01 0.004395 0.001132 True md_ensemble 4 132 139 + O_GB1_15 CB_GB1_16 1 0.000000e+00 4.153528e-06 ; 3.172218e-01 -4.153528e-06 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 132 136 + O_GB1_15 OG1_GB1_16 1 0.000000e+00 2.620145e-07 ; 2.519738e-01 -2.620145e-07 4.352599e-01 1.562584e-01 0.004395 0.001132 True md_ensemble 5 132 137 + O_GB1_15 CG2_GB1_16 1 0.000000e+00 8.883162e-07 ; 2.789602e-01 -8.883162e-07 9.166451e-01 5.072841e-01 0.004395 0.001132 True md_ensemble 5 132 138 + O_GB1_15 C_GB1_16 1 0.000000e+00 8.241989e-07 ; 2.772241e-01 -8.241989e-07 9.979977e-01 9.946841e-01 0.004395 0.001132 True md_ensemble 4 132 139 O_GB1_15 O_GB1_16 1 0.000000e+00 2.077030e-06 ; 2.994208e-01 -2.077030e-06 3.899399e-01 7.746265e-01 0.004395 0.001132 True md_ensemble 5 132 140 O_GB1_15 N_GB1_17 1 0.000000e+00 2.679423e-06 ; 3.058429e-01 -2.679423e-06 9.749566e-02 8.837775e-01 0.004395 0.001132 True md_ensemble 5 132 141 O_GB1_15 H_GB1_17 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 132 142 @@ -21501,131 +21501,131 @@ OE2_GB1_15 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- O_GB1_15 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 132 488 O_GB1_15 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 132 490 O_GB1_15 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 132 491 - N_GB1_16 CB_GB1_16 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 136 - N_GB1_16 CG2_GB1_16 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 138 - N_GB1_16 CA_GB1_17 1 0.000000e+00 7.574652e-06 ; 3.335098e-01 -7.574652e-06 1.000000e+00 9.999547e-01 0.004395 0.001132 True md_ensemble 4 133 143 - N_GB1_16 CB_GB1_17 1 0.000000e+00 1.119699e-05 ; 3.445509e-01 -1.119699e-05 1.040216e-01 5.821727e-01 0.004395 0.001132 True md_ensemble 5 133 144 + N_GB1_16 CB_GB1_16 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 136 + N_GB1_16 CG2_GB1_16 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 138 + N_GB1_16 CA_GB1_17 1 0.000000e+00 7.574640e-06 ; 3.335097e-01 -7.574640e-06 1.000000e+00 9.999547e-01 0.004395 0.001132 True md_ensemble 4 133 143 + N_GB1_16 CB_GB1_17 1 0.000000e+00 1.119697e-05 ; 3.445509e-01 -1.119697e-05 1.040216e-01 5.821727e-01 0.004395 0.001132 True md_ensemble 5 133 144 N_GB1_16 OG1_GB1_17 1 0.000000e+00 6.627671e-07 ; 2.722336e-01 -6.627671e-07 1.646937e-03 5.691502e-02 0.004395 0.001132 True md_ensemble 6 133 145 - N_GB1_16 CG2_GB1_17 1 0.000000e+00 2.897859e-06 ; 3.078469e-01 -2.897859e-06 1.007989e-01 1.572835e-01 0.004395 0.001132 True md_ensemble 6 133 146 + N_GB1_16 CG2_GB1_17 1 0.000000e+00 2.897832e-06 ; 3.078467e-01 -2.897832e-06 1.007989e-01 1.572835e-01 0.004395 0.001132 True md_ensemble 6 133 146 N_GB1_16 C_GB1_17 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 0.000000e+00 7.159008e-02 0.004395 0.001132 True md_ensemble 5 133 147 N_GB1_16 O_GB1_17 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 0.000000e+00 1.226924e-01 0.004395 0.001132 True md_ensemble 6 133 148 N_GB1_16 N_GB1_18 1 0.000000e+00 8.752940e-07 ; 2.786171e-01 -8.752940e-07 0.000000e+00 5.453078e-02 0.004395 0.001132 True md_ensemble 6 133 149 - N_GB1_16 CB_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 152 - N_GB1_16 CG2_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 154 + N_GB1_16 CB_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 152 + N_GB1_16 CG2_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 154 N_GB1_16 N_GB1_19 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.614936e-04 0.004395 0.001132 True md_ensemble 7 133 157 - N_GB1_16 CB_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 160 - N_GB1_16 CG_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 161 + N_GB1_16 CB_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 160 + N_GB1_16 CG_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 161 N_GB1_16 N_GB1_20 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 2.643086e-06 0.004395 0.001132 True md_ensemble 7 133 167 - N_GB1_16 CB_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 170 + N_GB1_16 CB_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 170 N_GB1_16 N_GB1_21 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 133 173 - N_GB1_16 CB_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 176 - N_GB1_16 CG1_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 177 - N_GB1_16 CG2_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 178 + N_GB1_16 CB_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 176 + N_GB1_16 CG1_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 177 + N_GB1_16 CG2_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 178 N_GB1_16 N_GB1_22 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 133 181 - N_GB1_16 CB_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 184 + N_GB1_16 CB_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 184 N_GB1_16 N_GB1_23 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 133 190 - N_GB1_16 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 193 + N_GB1_16 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 193 N_GB1_16 N_GB1_24 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 133 196 - N_GB1_16 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 199 + N_GB1_16 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 199 N_GB1_16 N_GB1_25 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 133 202 - N_GB1_16 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 205 - N_GB1_16 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 207 + N_GB1_16 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 205 + N_GB1_16 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 207 N_GB1_16 N_GB1_26 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 133 210 - N_GB1_16 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 213 + N_GB1_16 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 213 N_GB1_16 N_GB1_27 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 133 216 - N_GB1_16 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 219 - N_GB1_16 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 220 + N_GB1_16 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 219 + N_GB1_16 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 220 N_GB1_16 N_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 133 226 - N_GB1_16 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 229 - N_GB1_16 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 230 - N_GB1_16 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 231 - N_GB1_16 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 232 + N_GB1_16 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 229 + N_GB1_16 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 230 + N_GB1_16 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 231 + N_GB1_16 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 232 N_GB1_16 NZ_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 133 233 N_GB1_16 N_GB1_29 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 133 236 - N_GB1_16 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 239 - N_GB1_16 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 240 - N_GB1_16 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 241 + N_GB1_16 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 239 + N_GB1_16 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 240 + N_GB1_16 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 241 N_GB1_16 N_GB1_30 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 133 244 - N_GB1_16 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 247 + N_GB1_16 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 247 N_GB1_16 N_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 133 256 - N_GB1_16 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 259 - N_GB1_16 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 260 - N_GB1_16 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 261 - N_GB1_16 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 262 + N_GB1_16 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 259 + N_GB1_16 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 260 + N_GB1_16 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 261 + N_GB1_16 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 262 N_GB1_16 NZ_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.390759e-05 0.004395 0.001132 True md_ensemble 7 133 263 N_GB1_16 N_GB1_32 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 133 266 - N_GB1_16 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 269 - N_GB1_16 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 270 + N_GB1_16 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 269 + N_GB1_16 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 270 N_GB1_16 N_GB1_33 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 133 276 - N_GB1_16 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 279 + N_GB1_16 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 279 N_GB1_16 CE1_GB1_33 1 1.929641e-03 7.473281e-06 ; 3.962833e-01 1.245609e-01 1.265491e-02 1.000638e-04 0.004395 0.015244 True md_ensemble 7 133 283 N_GB1_16 CE2_GB1_33 1 1.929641e-03 7.473281e-06 ; 3.962833e-01 1.245609e-01 1.265491e-02 1.000638e-04 0.004395 0.015244 True md_ensemble 7 133 284 N_GB1_16 CZ_GB1_33 1 2.370252e-03 1.013942e-05 ; 4.029054e-01 1.385212e-01 1.658733e-02 1.997249e-04 0.004395 0.015244 True md_ensemble 7 133 285 N_GB1_16 OH_GB1_33 1 1.061264e-03 2.676552e-06 ; 3.689425e-01 1.051988e-01 8.695007e-03 2.573915e-04 0.004395 0.011584 True md_ensemble 7 133 286 N_GB1_16 N_GB1_34 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 133 289 - N_GB1_16 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 292 + N_GB1_16 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 292 N_GB1_16 N_GB1_35 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 133 295 - N_GB1_16 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 298 + N_GB1_16 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 298 N_GB1_16 N_GB1_36 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 133 304 - N_GB1_16 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 307 + N_GB1_16 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 307 N_GB1_16 N_GB1_37 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 133 313 - N_GB1_16 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 316 + N_GB1_16 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 316 N_GB1_16 N_GB1_38 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 133 322 - N_GB1_16 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 324 + N_GB1_16 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 324 N_GB1_16 N_GB1_39 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 133 327 - N_GB1_16 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 330 - N_GB1_16 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 331 - N_GB1_16 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 332 + N_GB1_16 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 330 + N_GB1_16 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 331 + N_GB1_16 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 332 N_GB1_16 N_GB1_40 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 133 335 - N_GB1_16 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 338 + N_GB1_16 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 338 N_GB1_16 N_GB1_41 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 133 344 - N_GB1_16 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 346 + N_GB1_16 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 346 N_GB1_16 N_GB1_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 133 349 - N_GB1_16 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 352 - N_GB1_16 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 353 + N_GB1_16 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 352 + N_GB1_16 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 353 N_GB1_16 N_GB1_43 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 133 359 - N_GB1_16 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 362 + N_GB1_16 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 362 N_GB1_16 N_GB1_44 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 133 374 - N_GB1_16 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 377 - N_GB1_16 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 379 + N_GB1_16 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 377 + N_GB1_16 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 379 N_GB1_16 N_GB1_45 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 133 382 - N_GB1_16 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 385 + N_GB1_16 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 385 N_GB1_16 N_GB1_46 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 133 395 - N_GB1_16 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 398 + N_GB1_16 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 398 N_GB1_16 N_GB1_47 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 133 404 - N_GB1_16 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 407 + N_GB1_16 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 407 N_GB1_16 N_GB1_48 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 133 413 - N_GB1_16 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 416 + N_GB1_16 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 416 N_GB1_16 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 133 419 - N_GB1_16 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 422 - N_GB1_16 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 424 + N_GB1_16 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 422 + N_GB1_16 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 424 N_GB1_16 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 133 427 - N_GB1_16 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 430 - N_GB1_16 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 431 - N_GB1_16 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 432 - N_GB1_16 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 433 + N_GB1_16 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 430 + N_GB1_16 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 431 + N_GB1_16 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 432 + N_GB1_16 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 433 N_GB1_16 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 9.998142e-05 0.004395 0.001132 True md_ensemble 7 133 434 N_GB1_16 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 133 437 - N_GB1_16 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 440 - N_GB1_16 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 442 + N_GB1_16 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 440 + N_GB1_16 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 442 N_GB1_16 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 133 445 - N_GB1_16 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 448 + N_GB1_16 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 448 N_GB1_16 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 133 457 - N_GB1_16 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 460 - N_GB1_16 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 462 + N_GB1_16 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 460 + N_GB1_16 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 462 N_GB1_16 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 133 465 - N_GB1_16 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 468 - N_GB1_16 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 469 - N_GB1_16 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 470 + N_GB1_16 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 468 + N_GB1_16 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 469 + N_GB1_16 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 470 N_GB1_16 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 133 473 - N_GB1_16 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 476 - N_GB1_16 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 478 + N_GB1_16 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 476 + N_GB1_16 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 478 N_GB1_16 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 133 481 - N_GB1_16 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 484 - N_GB1_16 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 485 + N_GB1_16 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 484 + N_GB1_16 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 133 485 H_GB1_16 H_GB1_16 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 134 134 - H_GB1_16 OG1_GB1_16 1 0.000000e+00 3.797046e-08 ; 2.145106e-01 -3.797046e-08 8.588235e-03 7.806746e-01 0.004395 0.001132 True md_ensemble 4 134 137 - H_GB1_16 O_GB1_16 1 0.000000e+00 5.731943e-09 ; 1.832399e-01 -5.731943e-09 9.998504e-01 3.692671e-01 0.004395 0.001132 True md_ensemble 4 134 140 + H_GB1_16 OG1_GB1_16 1 0.000000e+00 3.797064e-08 ; 2.145107e-01 -3.797064e-08 8.588235e-03 7.806746e-01 0.004395 0.001132 True md_ensemble 4 134 137 + H_GB1_16 O_GB1_16 1 0.000000e+00 5.732034e-09 ; 1.832402e-01 -5.732034e-09 9.998504e-01 3.692671e-01 0.004395 0.001132 True md_ensemble 4 134 140 H_GB1_16 H_GB1_17 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 134 142 H_GB1_16 OG1_GB1_17 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 134 145 H_GB1_16 O_GB1_17 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 134 148 @@ -21738,11 +21738,11 @@ OE2_GB1_15 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- H_GB1_16 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 134 488 H_GB1_16 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 134 490 H_GB1_16 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 134 491 - CA_GB1_16 CB_GB1_17 1 0.000000e+00 6.555574e-05 ; 3.992202e-01 -6.555574e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 135 144 - CA_GB1_16 OG1_GB1_17 1 0.000000e+00 4.868928e-06 ; 3.214508e-01 -4.868928e-06 8.934534e-01 7.423290e-01 0.004395 0.001132 True md_ensemble 5 135 145 - CA_GB1_16 CG2_GB1_17 1 0.000000e+00 1.893651e-05 ; 3.599731e-01 -1.893651e-05 9.470859e-01 7.448186e-01 0.004395 0.001132 True md_ensemble 5 135 146 - CA_GB1_16 C_GB1_17 1 0.000000e+00 1.305188e-05 ; 3.489805e-01 -1.305188e-05 9.999985e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 135 147 - CA_GB1_16 O_GB1_17 1 0.000000e+00 1.989322e-06 ; 2.983461e-01 -1.989322e-06 9.828720e-01 4.618233e-01 0.004395 0.001132 True md_ensemble 5 135 148 + CA_GB1_16 CB_GB1_17 1 0.000000e+00 6.555622e-05 ; 3.992205e-01 -6.555622e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 135 144 + CA_GB1_16 OG1_GB1_17 1 0.000000e+00 4.868912e-06 ; 3.214507e-01 -4.868912e-06 8.934534e-01 7.423290e-01 0.004395 0.001132 True md_ensemble 5 135 145 + CA_GB1_16 CG2_GB1_17 1 0.000000e+00 1.893650e-05 ; 3.599730e-01 -1.893650e-05 9.470859e-01 7.448186e-01 0.004395 0.001132 True md_ensemble 5 135 146 + CA_GB1_16 C_GB1_17 1 0.000000e+00 1.305182e-05 ; 3.489803e-01 -1.305182e-05 9.999985e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 135 147 + CA_GB1_16 O_GB1_17 1 0.000000e+00 1.989337e-06 ; 2.983463e-01 -1.989337e-06 9.828720e-01 4.618233e-01 0.004395 0.001132 True md_ensemble 5 135 148 CA_GB1_16 N_GB1_18 1 0.000000e+00 7.574995e-06 ; 3.335110e-01 -7.574995e-06 3.475217e-03 6.123731e-01 0.004395 0.001132 True md_ensemble 5 135 149 CA_GB1_16 CA_GB1_18 1 0.000000e+00 6.555574e-05 ; 3.992202e-01 -6.555574e-05 3.670737e-03 6.000210e-01 0.004395 0.001132 True md_ensemble 6 135 151 CA_GB1_16 CD1_GB1_30 1 1.115347e-02 1.554858e-04 ; 4.905841e-01 2.000182e-01 5.463325e-02 1.645611e-03 0.004395 0.010759 True md_ensemble 7 135 249 @@ -21757,85 +21757,85 @@ OE2_GB1_15 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- CA_GB1_16 CE2_GB1_33 1 1.153753e-02 1.176152e-04 ; 4.656487e-01 2.829453e-01 2.726059e-01 8.942183e-04 0.004395 0.010759 True md_ensemble 7 135 284 CA_GB1_16 CZ_GB1_33 1 1.118084e-02 1.090650e-04 ; 4.622410e-01 2.865521e-01 2.923460e-01 1.223202e-03 0.004395 0.010759 True md_ensemble 7 135 285 CA_GB1_16 OH_GB1_33 1 7.251666e-03 5.112318e-05 ; 4.378883e-01 2.571567e-01 1.653663e-01 1.204510e-03 0.004395 0.008483 True md_ensemble 7 135 286 - CB_GB1_16 OG1_GB1_16 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 137 - CB_GB1_16 C_GB1_16 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 139 + CB_GB1_16 OG1_GB1_16 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 137 + CB_GB1_16 C_GB1_16 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 139 CB_GB1_16 O_GB1_16 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 140 - CB_GB1_16 N_GB1_17 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 141 - CB_GB1_16 CA_GB1_17 1 0.000000e+00 6.555593e-05 ; 3.992203e-01 -6.555593e-05 9.999971e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 136 143 - CB_GB1_16 CB_GB1_17 1 0.000000e+00 6.546752e-05 ; 3.991755e-01 -6.546752e-05 1.000000e+00 9.986543e-01 0.004395 0.001132 True md_ensemble 5 136 144 - CB_GB1_16 OG1_GB1_17 1 0.000000e+00 6.382471e-06 ; 3.287840e-01 -6.382471e-06 4.303018e-02 1.557852e-01 0.004395 0.001132 True md_ensemble 6 136 145 - CB_GB1_16 CG2_GB1_17 1 0.000000e+00 2.033295e-05 ; 3.621138e-01 -2.033295e-05 5.283882e-01 3.849484e-01 0.004395 0.001132 True md_ensemble 6 136 146 - CB_GB1_16 C_GB1_17 1 0.000000e+00 7.925382e-06 ; 3.347701e-01 -7.925382e-06 9.998174e-01 6.070396e-01 0.004395 0.001132 True md_ensemble 5 136 147 + CB_GB1_16 N_GB1_17 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 141 + CB_GB1_16 CA_GB1_17 1 0.000000e+00 6.555641e-05 ; 3.992206e-01 -6.555641e-05 9.999971e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 136 143 + CB_GB1_16 CB_GB1_17 1 0.000000e+00 6.546800e-05 ; 3.991757e-01 -6.546800e-05 1.000000e+00 9.986543e-01 0.004395 0.001132 True md_ensemble 5 136 144 + CB_GB1_16 OG1_GB1_17 1 0.000000e+00 6.382450e-06 ; 3.287840e-01 -6.382450e-06 4.303018e-02 1.557852e-01 0.004395 0.001132 True md_ensemble 6 136 145 + CB_GB1_16 CG2_GB1_17 1 0.000000e+00 2.033294e-05 ; 3.621137e-01 -2.033294e-05 5.283882e-01 3.849484e-01 0.004395 0.001132 True md_ensemble 6 136 146 + CB_GB1_16 C_GB1_17 1 0.000000e+00 7.925341e-06 ; 3.347700e-01 -7.925341e-06 9.998174e-01 6.070396e-01 0.004395 0.001132 True md_ensemble 5 136 147 CB_GB1_16 O_GB1_17 1 1.593886e-03 7.459737e-06 ; 4.089884e-01 8.513951e-02 9.395956e-01 1.804009e-01 0.004395 0.001132 True md_ensemble 6 136 148 - CB_GB1_16 N_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 149 - CB_GB1_16 CA_GB1_18 1 0.000000e+00 8.370891e-05 ; 4.074359e-01 -8.370891e-05 7.081805e-03 2.839938e-01 0.004395 0.006476 True md_ensemble 7 136 151 - CB_GB1_16 CB_GB1_18 1 0.000000e+00 7.813112e-05 ; 4.051013e-01 -7.813112e-05 2.258168e-02 2.144089e-01 0.004395 0.006476 True md_ensemble 7 136 152 - CB_GB1_16 OG1_GB1_18 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 153 - CB_GB1_16 C_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 155 + CB_GB1_16 N_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 149 + CB_GB1_16 CA_GB1_18 1 0.000000e+00 8.370953e-05 ; 4.074362e-01 -8.370953e-05 7.081805e-03 2.839938e-01 0.004395 0.006476 True md_ensemble 7 136 151 + CB_GB1_16 CB_GB1_18 1 0.000000e+00 7.813169e-05 ; 4.051016e-01 -7.813169e-05 2.258168e-02 2.144089e-01 0.004395 0.006476 True md_ensemble 7 136 152 + CB_GB1_16 OG1_GB1_18 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 153 + CB_GB1_16 C_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 155 CB_GB1_16 O_GB1_18 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 9.611740e-02 0.004395 0.007862 True md_ensemble 7 136 156 - CB_GB1_16 N_GB1_19 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 157 - CB_GB1_16 CD_GB1_19 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 162 - CB_GB1_16 OE1_GB1_19 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 163 - CB_GB1_16 OE2_GB1_19 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 164 - CB_GB1_16 C_GB1_19 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 165 + CB_GB1_16 N_GB1_19 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 157 + CB_GB1_16 CD_GB1_19 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 162 + CB_GB1_16 OE1_GB1_19 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 163 + CB_GB1_16 OE2_GB1_19 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 164 + CB_GB1_16 C_GB1_19 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 165 CB_GB1_16 O_GB1_19 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.255745e-02 0.004395 0.007862 True md_ensemble 7 136 166 - CB_GB1_16 N_GB1_20 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 167 - CB_GB1_16 C_GB1_20 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 171 + CB_GB1_16 N_GB1_20 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 167 + CB_GB1_16 C_GB1_20 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 171 CB_GB1_16 O_GB1_20 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.970964e-03 0.004395 0.007862 True md_ensemble 7 136 172 - CB_GB1_16 N_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 173 - CB_GB1_16 C_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 179 + CB_GB1_16 N_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 173 + CB_GB1_16 C_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 179 CB_GB1_16 O_GB1_21 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.339022e-03 0.004395 0.007862 True md_ensemble 7 136 180 - CB_GB1_16 N_GB1_22 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 181 - CB_GB1_16 CG_GB1_22 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 185 - CB_GB1_16 OD1_GB1_22 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 186 - CB_GB1_16 OD2_GB1_22 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 187 - CB_GB1_16 C_GB1_22 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 188 + CB_GB1_16 N_GB1_22 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 181 + CB_GB1_16 CG_GB1_22 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 185 + CB_GB1_16 OD1_GB1_22 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 186 + CB_GB1_16 OD2_GB1_22 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 187 + CB_GB1_16 C_GB1_22 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 188 CB_GB1_16 O_GB1_22 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.505710e-03 0.004395 0.007862 True md_ensemble 7 136 189 - CB_GB1_16 N_GB1_23 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 190 - CB_GB1_16 C_GB1_23 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 194 + CB_GB1_16 N_GB1_23 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 190 + CB_GB1_16 C_GB1_23 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 194 CB_GB1_16 O_GB1_23 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.163434e-03 0.004395 0.007862 True md_ensemble 7 136 195 - CB_GB1_16 N_GB1_24 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 196 - CB_GB1_16 C_GB1_24 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 200 + CB_GB1_16 N_GB1_24 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 196 + CB_GB1_16 C_GB1_24 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 200 CB_GB1_16 O_GB1_24 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.670115e-03 0.004395 0.007862 True md_ensemble 7 136 201 - CB_GB1_16 N_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 202 - CB_GB1_16 OG1_GB1_25 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 206 - CB_GB1_16 C_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 208 + CB_GB1_16 N_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 202 + CB_GB1_16 OG1_GB1_25 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 206 + CB_GB1_16 C_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 208 CB_GB1_16 O_GB1_25 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 5.143767e-04 0.004395 0.007862 True md_ensemble 7 136 209 - CB_GB1_16 N_GB1_26 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 210 - CB_GB1_16 C_GB1_26 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 214 + CB_GB1_16 N_GB1_26 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 210 + CB_GB1_16 C_GB1_26 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 214 CB_GB1_16 O_GB1_26 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.029037e-04 0.004395 0.007862 True md_ensemble 7 136 215 - CB_GB1_16 N_GB1_27 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 216 - CB_GB1_16 CD_GB1_27 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 221 - CB_GB1_16 OE1_GB1_27 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 222 - CB_GB1_16 OE2_GB1_27 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 223 - CB_GB1_16 C_GB1_27 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 224 + CB_GB1_16 N_GB1_27 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 216 + CB_GB1_16 CD_GB1_27 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 221 + CB_GB1_16 OE1_GB1_27 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 222 + CB_GB1_16 OE2_GB1_27 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 223 + CB_GB1_16 C_GB1_27 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 224 CB_GB1_16 O_GB1_27 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.405262e-04 0.004395 0.007862 True md_ensemble 7 136 225 - CB_GB1_16 N_GB1_28 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 226 - CB_GB1_16 NZ_GB1_28 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 233 - CB_GB1_16 C_GB1_28 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 234 + CB_GB1_16 N_GB1_28 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 226 + CB_GB1_16 NZ_GB1_28 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 233 + CB_GB1_16 C_GB1_28 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 234 CB_GB1_16 O_GB1_28 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.940831e-04 0.004395 0.007862 True md_ensemble 7 136 235 - CB_GB1_16 N_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 236 - CB_GB1_16 C_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 242 + CB_GB1_16 N_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 236 + CB_GB1_16 C_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 242 CB_GB1_16 O_GB1_29 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 5.979893e-04 0.004395 0.007862 True md_ensemble 7 136 243 - CB_GB1_16 N_GB1_30 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 244 + CB_GB1_16 N_GB1_30 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 244 CB_GB1_16 CD1_GB1_30 1 1.274192e-02 1.316654e-04 ; 4.667017e-01 3.082751e-01 4.454110e-01 2.106632e-03 0.004395 0.010759 True md_ensemble 7 136 249 CB_GB1_16 CD2_GB1_30 1 1.274192e-02 1.316654e-04 ; 4.667017e-01 3.082751e-01 4.454110e-01 2.106632e-03 0.004395 0.010759 True md_ensemble 7 136 250 CB_GB1_16 CE1_GB1_30 1 9.603655e-03 6.710162e-05 ; 4.372362e-01 3.436213e-01 8.836995e-01 3.231073e-03 0.004395 0.010759 True md_ensemble 7 136 251 CB_GB1_16 CE2_GB1_30 1 9.603655e-03 6.710162e-05 ; 4.372362e-01 3.436213e-01 8.836995e-01 3.231073e-03 0.004395 0.010759 True md_ensemble 7 136 252 CB_GB1_16 CZ_GB1_30 1 1.275369e-02 1.543908e-04 ; 4.791788e-01 2.633846e-01 1.865837e-01 4.269608e-03 0.004395 0.010759 True md_ensemble 7 136 253 - CB_GB1_16 C_GB1_30 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 254 + CB_GB1_16 C_GB1_30 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 254 CB_GB1_16 O_GB1_30 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.835407e-04 0.004395 0.007862 True md_ensemble 7 136 255 - CB_GB1_16 N_GB1_31 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 256 - CB_GB1_16 NZ_GB1_31 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 263 - CB_GB1_16 C_GB1_31 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 264 + CB_GB1_16 N_GB1_31 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 256 + CB_GB1_16 NZ_GB1_31 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 263 + CB_GB1_16 C_GB1_31 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 264 CB_GB1_16 O_GB1_31 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 6.993364e-04 0.004395 0.007862 True md_ensemble 7 136 265 - CB_GB1_16 N_GB1_32 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 266 - CB_GB1_16 CD_GB1_32 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 271 + CB_GB1_16 N_GB1_32 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 266 + CB_GB1_16 CD_GB1_32 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 271 CB_GB1_16 OE1_GB1_32 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 4.847744e-04 0.004395 0.007862 True md_ensemble 7 136 272 - CB_GB1_16 NE2_GB1_32 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 273 - CB_GB1_16 C_GB1_32 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 274 + CB_GB1_16 NE2_GB1_32 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 273 + CB_GB1_16 C_GB1_32 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 274 CB_GB1_16 O_GB1_32 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.049737e-04 0.004395 0.007862 True md_ensemble 7 136 275 - CB_GB1_16 N_GB1_33 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 276 + CB_GB1_16 N_GB1_33 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 276 CB_GB1_16 CA_GB1_33 1 1.100572e-02 3.515671e-04 ; 5.632894e-01 8.613290e-02 6.008600e-03 1.024684e-03 0.004395 0.006476 True md_ensemble 7 136 278 CB_GB1_16 CB_GB1_33 1 1.647010e-02 2.433714e-04 ; 4.953691e-01 2.786524e-01 2.508404e-01 1.094592e-03 0.004395 0.007117 True md_ensemble 7 136 279 CB_GB1_16 CG_GB1_33 1 8.395109e-03 5.610679e-05 ; 4.340084e-01 3.140345e-01 4.980158e-01 7.972213e-04 0.004395 0.010759 True md_ensemble 7 136 280 @@ -21845,170 +21845,170 @@ OE2_GB1_15 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- CB_GB1_16 CE2_GB1_33 1 3.782452e-03 1.055572e-05 ; 3.752198e-01 3.388433e-01 8.055322e-01 1.327169e-03 0.004395 0.010759 True md_ensemble 7 136 284 CB_GB1_16 CZ_GB1_33 1 3.262752e-03 7.781924e-06 ; 3.655251e-01 3.419961e-01 8.562953e-01 2.058905e-03 0.004395 0.010759 True md_ensemble 7 136 285 CB_GB1_16 OH_GB1_33 1 2.430793e-03 4.880283e-06 ; 3.551808e-01 3.026850e-01 6.880229e-01 1.948087e-03 0.004395 0.001132 True md_ensemble 7 136 286 - CB_GB1_16 C_GB1_33 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 287 + CB_GB1_16 C_GB1_33 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 287 CB_GB1_16 O_GB1_33 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.999376e-04 0.004395 0.007862 True md_ensemble 7 136 288 - CB_GB1_16 N_GB1_34 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 289 - CB_GB1_16 C_GB1_34 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 293 + CB_GB1_16 N_GB1_34 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 289 + CB_GB1_16 C_GB1_34 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 293 CB_GB1_16 O_GB1_34 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.225767e-04 0.004395 0.007862 True md_ensemble 7 136 294 - CB_GB1_16 N_GB1_35 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 295 - CB_GB1_16 CG_GB1_35 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 299 + CB_GB1_16 N_GB1_35 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 295 + CB_GB1_16 CG_GB1_35 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 299 CB_GB1_16 OD1_GB1_35 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 7.397502e-04 0.004395 0.007862 True md_ensemble 7 136 300 - CB_GB1_16 ND2_GB1_35 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 301 - CB_GB1_16 C_GB1_35 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 302 + CB_GB1_16 ND2_GB1_35 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 301 + CB_GB1_16 C_GB1_35 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 302 CB_GB1_16 O_GB1_35 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.144927e-04 0.004395 0.007862 True md_ensemble 7 136 303 - CB_GB1_16 N_GB1_36 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 304 - CB_GB1_16 CG_GB1_36 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 308 - CB_GB1_16 OD1_GB1_36 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 309 - CB_GB1_16 OD2_GB1_36 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 310 - CB_GB1_16 C_GB1_36 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 311 + CB_GB1_16 N_GB1_36 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 304 + CB_GB1_16 CG_GB1_36 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 308 + CB_GB1_16 OD1_GB1_36 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 309 + CB_GB1_16 OD2_GB1_36 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 310 + CB_GB1_16 C_GB1_36 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 311 CB_GB1_16 O_GB1_36 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 9.984001e-05 0.004395 0.007862 True md_ensemble 7 136 312 - CB_GB1_16 N_GB1_37 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 313 - CB_GB1_16 CG_GB1_37 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 317 + CB_GB1_16 N_GB1_37 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 313 + CB_GB1_16 CG_GB1_37 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 317 CB_GB1_16 OD1_GB1_37 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 7.066103e-04 0.004395 0.007862 True md_ensemble 7 136 318 - CB_GB1_16 ND2_GB1_37 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 319 - CB_GB1_16 C_GB1_37 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 320 + CB_GB1_16 ND2_GB1_37 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 319 + CB_GB1_16 C_GB1_37 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 320 CB_GB1_16 O_GB1_37 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.838307e-04 0.004395 0.007862 True md_ensemble 7 136 321 - CB_GB1_16 N_GB1_38 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 322 - CB_GB1_16 C_GB1_38 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 325 + CB_GB1_16 N_GB1_38 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 322 + CB_GB1_16 C_GB1_38 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 325 CB_GB1_16 O_GB1_38 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 4.000493e-04 0.004395 0.007862 True md_ensemble 7 136 326 - CB_GB1_16 N_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 327 - CB_GB1_16 C_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 333 + CB_GB1_16 N_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 327 + CB_GB1_16 C_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 333 CB_GB1_16 O_GB1_39 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.282007e-04 0.004395 0.007862 True md_ensemble 7 136 334 - CB_GB1_16 N_GB1_40 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 335 - CB_GB1_16 CG_GB1_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 339 - CB_GB1_16 OD1_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 340 - CB_GB1_16 OD2_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 341 - CB_GB1_16 C_GB1_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 342 + CB_GB1_16 N_GB1_40 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 335 + CB_GB1_16 CG_GB1_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 339 + CB_GB1_16 OD1_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 340 + CB_GB1_16 OD2_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 341 + CB_GB1_16 C_GB1_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 342 CB_GB1_16 O_GB1_40 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.276205e-04 0.004395 0.007862 True md_ensemble 7 136 343 - CB_GB1_16 N_GB1_41 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 344 - CB_GB1_16 C_GB1_41 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 347 + CB_GB1_16 N_GB1_41 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 344 + CB_GB1_16 C_GB1_41 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 347 CB_GB1_16 O_GB1_41 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.894932e-04 0.004395 0.007862 True md_ensemble 7 136 348 - CB_GB1_16 N_GB1_42 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 349 - CB_GB1_16 CD_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 354 - CB_GB1_16 OE1_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 355 - CB_GB1_16 OE2_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 356 - CB_GB1_16 C_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 357 + CB_GB1_16 N_GB1_42 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 349 + CB_GB1_16 CD_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 354 + CB_GB1_16 OE1_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 355 + CB_GB1_16 OE2_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 356 + CB_GB1_16 C_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 357 CB_GB1_16 O_GB1_42 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.000492e-04 0.004395 0.007862 True md_ensemble 7 136 358 - CB_GB1_16 N_GB1_43 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 359 - CB_GB1_16 NE1_GB1_43 1 0.000000e+00 9.937288e-06 ; 8.853117e-06 -9.937288e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 366 - CB_GB1_16 C_GB1_43 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 372 + CB_GB1_16 N_GB1_43 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 359 + CB_GB1_16 NE1_GB1_43 1 0.000000e+00 9.937231e-06 ; 8.853066e-06 -9.937231e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 366 + CB_GB1_16 C_GB1_43 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 372 CB_GB1_16 O_GB1_43 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.000658e-04 0.004395 0.007862 True md_ensemble 7 136 373 - CB_GB1_16 N_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 374 - CB_GB1_16 OG1_GB1_44 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 378 - CB_GB1_16 C_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 380 + CB_GB1_16 N_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 374 + CB_GB1_16 OG1_GB1_44 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 378 + CB_GB1_16 C_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 380 CB_GB1_16 O_GB1_44 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.000649e-04 0.004395 0.007862 True md_ensemble 7 136 381 - CB_GB1_16 N_GB1_45 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 382 - CB_GB1_16 OH_GB1_45 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 392 - CB_GB1_16 C_GB1_45 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 393 + CB_GB1_16 N_GB1_45 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 382 + CB_GB1_16 OH_GB1_45 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 392 + CB_GB1_16 C_GB1_45 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 393 CB_GB1_16 O_GB1_45 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.950982e-04 0.004395 0.007862 True md_ensemble 7 136 394 - CB_GB1_16 N_GB1_46 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 395 - CB_GB1_16 CG_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 399 - CB_GB1_16 OD1_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 400 - CB_GB1_16 OD2_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 401 - CB_GB1_16 C_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 402 + CB_GB1_16 N_GB1_46 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 395 + CB_GB1_16 CG_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 399 + CB_GB1_16 OD1_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 400 + CB_GB1_16 OD2_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 401 + CB_GB1_16 C_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 402 CB_GB1_16 O_GB1_46 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 8.078695e-05 0.004395 0.007862 True md_ensemble 7 136 403 - CB_GB1_16 N_GB1_47 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 404 - CB_GB1_16 CG_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 408 - CB_GB1_16 OD1_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 409 - CB_GB1_16 OD2_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 410 - CB_GB1_16 C_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 411 + CB_GB1_16 N_GB1_47 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 404 + CB_GB1_16 CG_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 408 + CB_GB1_16 OD1_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 409 + CB_GB1_16 OD2_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 410 + CB_GB1_16 C_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 411 CB_GB1_16 O_GB1_47 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.000567e-04 0.004395 0.007862 True md_ensemble 7 136 412 - CB_GB1_16 N_GB1_48 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 413 - CB_GB1_16 C_GB1_48 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 417 + CB_GB1_16 N_GB1_48 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 413 + CB_GB1_16 C_GB1_48 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 417 CB_GB1_16 O_GB1_48 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.999974e-04 0.004395 0.007862 True md_ensemble 7 136 418 - CB_GB1_16 N_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 419 - CB_GB1_16 OG1_GB1_49 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 423 - CB_GB1_16 C_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 425 + CB_GB1_16 N_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 419 + CB_GB1_16 OG1_GB1_49 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 423 + CB_GB1_16 C_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 425 CB_GB1_16 O_GB1_49 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 9.990725e-05 0.004395 0.007862 True md_ensemble 7 136 426 - CB_GB1_16 N_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 427 - CB_GB1_16 NZ_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 434 - CB_GB1_16 C_GB1_50 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 435 + CB_GB1_16 N_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 427 + CB_GB1_16 NZ_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 434 + CB_GB1_16 C_GB1_50 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 435 CB_GB1_16 O_GB1_50 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 6.224837e-05 0.004395 0.007862 True md_ensemble 7 136 436 - CB_GB1_16 N_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 437 - CB_GB1_16 OG1_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 441 - CB_GB1_16 C_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 443 + CB_GB1_16 N_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 437 + CB_GB1_16 OG1_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 441 + CB_GB1_16 C_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 443 CB_GB1_16 O_GB1_51 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.999849e-04 0.004395 0.007862 True md_ensemble 7 136 444 - CB_GB1_16 N_GB1_52 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 445 - CB_GB1_16 C_GB1_52 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 455 + CB_GB1_16 N_GB1_52 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 445 + CB_GB1_16 C_GB1_52 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 455 CB_GB1_16 O_GB1_52 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 9.997884e-05 0.004395 0.007862 True md_ensemble 7 136 456 - CB_GB1_16 N_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 457 - CB_GB1_16 OG1_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 461 - CB_GB1_16 C_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 463 + CB_GB1_16 N_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 457 + CB_GB1_16 OG1_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 461 + CB_GB1_16 C_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 463 CB_GB1_16 O_GB1_53 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 136 464 - CB_GB1_16 N_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 465 - CB_GB1_16 C_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 471 + CB_GB1_16 N_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 465 + CB_GB1_16 C_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 471 CB_GB1_16 O_GB1_54 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.256379e-06 0.004395 0.007862 True md_ensemble 7 136 472 - CB_GB1_16 N_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 473 - CB_GB1_16 OG1_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 477 - CB_GB1_16 C_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 479 + CB_GB1_16 N_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 473 + CB_GB1_16 OG1_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 477 + CB_GB1_16 C_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 479 CB_GB1_16 O_GB1_55 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.463522e-05 0.004395 0.007862 True md_ensemble 7 136 480 - CB_GB1_16 N_GB1_56 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 481 - CB_GB1_16 CD_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 486 - CB_GB1_16 OE1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 487 - CB_GB1_16 OE2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 488 - CB_GB1_16 C_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 489 - CB_GB1_16 O1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 490 - CB_GB1_16 O2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 491 -OG1_GB1_16 CG2_GB1_16 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 138 -OG1_GB1_16 O_GB1_16 1 0.000000e+00 3.374985e-07 ; 2.573461e-01 -3.374985e-07 7.960471e-01 7.247560e-01 0.004395 0.001132 True md_ensemble 4 137 140 -OG1_GB1_16 N_GB1_17 1 0.000000e+00 4.930677e-07 ; 2.656056e-01 -4.930677e-07 9.714165e-01 7.153697e-01 0.004395 0.001132 True md_ensemble 4 137 141 + CB_GB1_16 N_GB1_56 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 481 + CB_GB1_16 CD_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 486 + CB_GB1_16 OE1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 487 + CB_GB1_16 OE2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 488 + CB_GB1_16 C_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 489 + CB_GB1_16 O1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 490 + CB_GB1_16 O2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 136 491 +OG1_GB1_16 CG2_GB1_16 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 138 +OG1_GB1_16 O_GB1_16 1 0.000000e+00 3.374976e-07 ; 2.573461e-01 -3.374976e-07 7.960471e-01 7.247560e-01 0.004395 0.001132 True md_ensemble 4 137 140 +OG1_GB1_16 N_GB1_17 1 0.000000e+00 4.930616e-07 ; 2.656053e-01 -4.930616e-07 9.714165e-01 7.153697e-01 0.004395 0.001132 True md_ensemble 4 137 141 OG1_GB1_16 H_GB1_17 1 9.647960e-06 2.493310e-10 ; 1.719452e-01 9.333287e-02 9.509346e-01 1.557675e-01 0.004395 0.001132 True md_ensemble 5 137 142 -OG1_GB1_16 CA_GB1_17 1 0.000000e+00 3.405234e-06 ; 3.120139e-01 -3.405234e-06 9.671518e-01 5.608390e-01 0.004395 0.001132 True md_ensemble 5 137 143 -OG1_GB1_16 CB_GB1_17 1 0.000000e+00 4.622236e-06 ; 3.200609e-01 -4.622236e-06 3.892061e-01 1.950721e-01 0.004395 0.001132 True md_ensemble 6 137 144 -OG1_GB1_16 CG2_GB1_17 1 0.000000e+00 2.283223e-06 ; 3.017917e-01 -2.283223e-06 1.091612e-02 1.102440e-01 0.004395 0.001132 True md_ensemble 7 137 146 +OG1_GB1_16 CA_GB1_17 1 0.000000e+00 3.405223e-06 ; 3.120138e-01 -3.405223e-06 9.671518e-01 5.608390e-01 0.004395 0.001132 True md_ensemble 5 137 143 +OG1_GB1_16 CB_GB1_17 1 0.000000e+00 4.622221e-06 ; 3.200609e-01 -4.622221e-06 3.892061e-01 1.950721e-01 0.004395 0.001132 True md_ensemble 6 137 144 +OG1_GB1_16 CG2_GB1_17 1 0.000000e+00 2.283197e-06 ; 3.017915e-01 -2.283197e-06 1.091612e-02 1.102440e-01 0.004395 0.001132 True md_ensemble 7 137 146 OG1_GB1_16 C_GB1_17 1 1.568928e-03 4.875811e-06 ; 3.820094e-01 1.262115e-01 7.289301e-01 6.313069e-02 0.004395 0.001132 True md_ensemble 6 137 147 OG1_GB1_16 O_GB1_17 1 1.144731e-03 1.178286e-06 ; 3.177542e-01 2.780326e-01 8.480425e-01 3.963701e-02 0.004395 0.011584 True md_ensemble 7 137 148 OG1_GB1_16 H_GB1_18 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 150 -OG1_GB1_16 CB_GB1_18 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 152 -OG1_GB1_16 CG2_GB1_18 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 154 +OG1_GB1_16 CB_GB1_18 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 152 +OG1_GB1_16 CG2_GB1_18 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 154 OG1_GB1_16 H_GB1_19 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 158 -OG1_GB1_16 CB_GB1_19 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 160 -OG1_GB1_16 CG_GB1_19 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 161 +OG1_GB1_16 CB_GB1_19 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 160 +OG1_GB1_16 CG_GB1_19 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 161 OG1_GB1_16 H_GB1_20 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 168 -OG1_GB1_16 CB_GB1_20 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 170 +OG1_GB1_16 CB_GB1_20 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 170 OG1_GB1_16 H_GB1_21 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 174 -OG1_GB1_16 CB_GB1_21 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 176 -OG1_GB1_16 CG1_GB1_21 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 177 -OG1_GB1_16 CG2_GB1_21 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 178 +OG1_GB1_16 CB_GB1_21 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 176 +OG1_GB1_16 CG1_GB1_21 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 177 +OG1_GB1_16 CG2_GB1_21 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 178 OG1_GB1_16 H_GB1_22 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 182 -OG1_GB1_16 CB_GB1_22 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 184 +OG1_GB1_16 CB_GB1_22 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 184 OG1_GB1_16 H_GB1_23 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 191 -OG1_GB1_16 CB_GB1_23 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 193 +OG1_GB1_16 CB_GB1_23 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 193 OG1_GB1_16 H_GB1_24 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 197 -OG1_GB1_16 CB_GB1_24 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 199 +OG1_GB1_16 CB_GB1_24 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 199 OG1_GB1_16 H_GB1_25 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 203 -OG1_GB1_16 CB_GB1_25 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 205 -OG1_GB1_16 CG2_GB1_25 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 207 +OG1_GB1_16 CB_GB1_25 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 205 +OG1_GB1_16 CG2_GB1_25 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 207 OG1_GB1_16 H_GB1_26 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 211 -OG1_GB1_16 CB_GB1_26 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 213 +OG1_GB1_16 CB_GB1_26 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 213 OG1_GB1_16 H_GB1_27 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 217 -OG1_GB1_16 CB_GB1_27 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 219 -OG1_GB1_16 CG_GB1_27 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 220 +OG1_GB1_16 CB_GB1_27 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 219 +OG1_GB1_16 CG_GB1_27 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 220 OG1_GB1_16 H_GB1_28 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 227 -OG1_GB1_16 CB_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 229 -OG1_GB1_16 CG_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 230 -OG1_GB1_16 CD_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 231 -OG1_GB1_16 CE_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 232 +OG1_GB1_16 CB_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 229 +OG1_GB1_16 CG_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 230 +OG1_GB1_16 CD_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 231 +OG1_GB1_16 CE_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 232 OG1_GB1_16 H_GB1_29 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 237 -OG1_GB1_16 CB_GB1_29 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 239 -OG1_GB1_16 CG1_GB1_29 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 240 -OG1_GB1_16 CG2_GB1_29 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 241 +OG1_GB1_16 CB_GB1_29 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 239 +OG1_GB1_16 CG1_GB1_29 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 240 +OG1_GB1_16 CG2_GB1_29 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 241 OG1_GB1_16 H_GB1_30 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 245 -OG1_GB1_16 CB_GB1_30 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 247 +OG1_GB1_16 CB_GB1_30 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 247 OG1_GB1_16 CD1_GB1_30 1 4.412271e-04 6.260599e-07 ; 3.352167e-01 7.774070e-02 5.106555e-03 7.090143e-04 0.004395 0.015244 True md_ensemble 7 137 249 OG1_GB1_16 CD2_GB1_30 1 4.412271e-04 6.260599e-07 ; 3.352167e-01 7.774070e-02 5.106555e-03 7.090143e-04 0.004395 0.015244 True md_ensemble 7 137 250 OG1_GB1_16 CE1_GB1_30 1 1.758456e-03 3.673984e-06 ; 3.575479e-01 2.104097e-01 6.682402e-02 1.028632e-03 0.004395 0.015244 True md_ensemble 7 137 251 OG1_GB1_16 CE2_GB1_30 1 1.758456e-03 3.673984e-06 ; 3.575479e-01 2.104097e-01 6.682402e-02 1.028632e-03 0.004395 0.015244 True md_ensemble 7 137 252 OG1_GB1_16 H_GB1_31 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 257 -OG1_GB1_16 CB_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 259 -OG1_GB1_16 CG_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 260 -OG1_GB1_16 CD_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 261 -OG1_GB1_16 CE_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 262 +OG1_GB1_16 CB_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 259 +OG1_GB1_16 CG_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 260 +OG1_GB1_16 CD_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 261 +OG1_GB1_16 CE_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 262 OG1_GB1_16 H_GB1_32 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 267 -OG1_GB1_16 CB_GB1_32 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 269 -OG1_GB1_16 CG_GB1_32 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 270 +OG1_GB1_16 CB_GB1_32 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 269 +OG1_GB1_16 CG_GB1_32 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 270 OG1_GB1_16 H_GB1_33 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 277 -OG1_GB1_16 CB_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 279 +OG1_GB1_16 CB_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 279 OG1_GB1_16 CG_GB1_33 1 1.602549e-03 5.152202e-06 ; 3.841760e-01 1.246149e-01 1.266816e-02 3.574316e-04 0.004395 0.015244 True md_ensemble 7 137 280 OG1_GB1_16 CD1_GB1_33 1 1.735581e-03 3.547491e-06 ; 3.562428e-01 2.122797e-01 6.929051e-02 4.997867e-04 0.004395 0.015244 True md_ensemble 7 137 281 OG1_GB1_16 CD2_GB1_33 1 1.735581e-03 3.547491e-06 ; 3.562428e-01 2.122797e-01 6.929051e-02 4.997867e-04 0.004395 0.015244 True md_ensemble 7 137 282 @@ -22017,124 +22017,124 @@ OG1_GB1_16 CE2_GB1_33 1 8.480327e-04 6.886884e-07 ; 3.054464e-01 2.610613e- OG1_GB1_16 CZ_GB1_33 1 1.342331e-03 1.594564e-06 ; 3.254346e-01 2.824991e-01 2.702586e-01 5.321085e-04 0.004395 0.015244 True md_ensemble 7 137 285 OG1_GB1_16 OH_GB1_33 1 4.646024e-04 2.210458e-07 ; 2.794045e-01 2.441297e-01 1.284655e-01 6.046030e-04 0.004395 0.011584 True md_ensemble 7 137 286 OG1_GB1_16 H_GB1_34 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 290 -OG1_GB1_16 CB_GB1_34 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 292 +OG1_GB1_16 CB_GB1_34 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 292 OG1_GB1_16 H_GB1_35 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 296 -OG1_GB1_16 CB_GB1_35 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 298 +OG1_GB1_16 CB_GB1_35 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 298 OG1_GB1_16 H_GB1_36 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 305 -OG1_GB1_16 CB_GB1_36 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 307 +OG1_GB1_16 CB_GB1_36 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 307 OG1_GB1_16 H_GB1_37 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 314 -OG1_GB1_16 CB_GB1_37 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 316 +OG1_GB1_16 CB_GB1_37 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 316 OG1_GB1_16 H_GB1_38 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 323 -OG1_GB1_16 CA_GB1_38 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 324 +OG1_GB1_16 CA_GB1_38 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 324 OG1_GB1_16 H_GB1_39 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 328 -OG1_GB1_16 CB_GB1_39 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 330 -OG1_GB1_16 CG1_GB1_39 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 331 -OG1_GB1_16 CG2_GB1_39 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 332 +OG1_GB1_16 CB_GB1_39 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 330 +OG1_GB1_16 CG1_GB1_39 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 331 +OG1_GB1_16 CG2_GB1_39 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 332 OG1_GB1_16 H_GB1_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 336 -OG1_GB1_16 CB_GB1_40 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 338 +OG1_GB1_16 CB_GB1_40 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 338 OG1_GB1_16 H_GB1_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 345 -OG1_GB1_16 CA_GB1_41 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 346 +OG1_GB1_16 CA_GB1_41 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 346 OG1_GB1_16 H_GB1_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 350 -OG1_GB1_16 CB_GB1_42 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 352 -OG1_GB1_16 CG_GB1_42 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 353 +OG1_GB1_16 CB_GB1_42 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 352 +OG1_GB1_16 CG_GB1_42 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 353 OG1_GB1_16 H_GB1_43 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 360 -OG1_GB1_16 CB_GB1_43 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 362 +OG1_GB1_16 CB_GB1_43 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 362 OG1_GB1_16 H_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 375 -OG1_GB1_16 CB_GB1_44 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 377 -OG1_GB1_16 CG2_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 379 +OG1_GB1_16 CB_GB1_44 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 377 +OG1_GB1_16 CG2_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 379 OG1_GB1_16 H_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 383 -OG1_GB1_16 CB_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 385 +OG1_GB1_16 CB_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 385 OG1_GB1_16 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 396 -OG1_GB1_16 CB_GB1_46 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 398 +OG1_GB1_16 CB_GB1_46 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 398 OG1_GB1_16 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 405 -OG1_GB1_16 CB_GB1_47 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 407 +OG1_GB1_16 CB_GB1_47 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 407 OG1_GB1_16 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 414 -OG1_GB1_16 CB_GB1_48 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 416 +OG1_GB1_16 CB_GB1_48 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 416 OG1_GB1_16 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 420 -OG1_GB1_16 CB_GB1_49 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 422 -OG1_GB1_16 CG2_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 424 +OG1_GB1_16 CB_GB1_49 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 422 +OG1_GB1_16 CG2_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 424 OG1_GB1_16 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 428 -OG1_GB1_16 CB_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 430 -OG1_GB1_16 CG_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 431 -OG1_GB1_16 CD_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 432 -OG1_GB1_16 CE_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 433 +OG1_GB1_16 CB_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 430 +OG1_GB1_16 CG_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 431 +OG1_GB1_16 CD_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 432 +OG1_GB1_16 CE_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 433 OG1_GB1_16 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 438 -OG1_GB1_16 CB_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 440 -OG1_GB1_16 CG2_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 442 +OG1_GB1_16 CB_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 440 +OG1_GB1_16 CG2_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 442 OG1_GB1_16 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 446 -OG1_GB1_16 CB_GB1_52 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 448 +OG1_GB1_16 CB_GB1_52 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 448 OG1_GB1_16 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 458 -OG1_GB1_16 CB_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 460 -OG1_GB1_16 CG2_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 462 +OG1_GB1_16 CB_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 460 +OG1_GB1_16 CG2_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 462 OG1_GB1_16 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 466 -OG1_GB1_16 CB_GB1_54 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 468 -OG1_GB1_16 CG1_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 469 -OG1_GB1_16 CG2_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 470 +OG1_GB1_16 CB_GB1_54 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 468 +OG1_GB1_16 CG1_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 469 +OG1_GB1_16 CG2_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 470 OG1_GB1_16 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 474 -OG1_GB1_16 CB_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 476 -OG1_GB1_16 CG2_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 478 +OG1_GB1_16 CB_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 476 +OG1_GB1_16 CG2_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 478 OG1_GB1_16 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 482 -OG1_GB1_16 CB_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 484 -OG1_GB1_16 CG_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 485 -CG2_GB1_16 C_GB1_16 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 139 +OG1_GB1_16 CB_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 484 +OG1_GB1_16 CG_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 137 485 +CG2_GB1_16 C_GB1_16 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 139 CG2_GB1_16 O_GB1_16 1 0.000000e+00 1.357107e-06 ; 2.889878e-01 -1.357107e-06 9.997565e-01 9.020934e-01 0.004395 0.001132 True md_ensemble 4 138 140 -CG2_GB1_16 N_GB1_17 1 0.000000e+00 2.583647e-06 ; 3.049166e-01 -2.583647e-06 1.000000e+00 9.419309e-01 0.004395 0.001132 True md_ensemble 4 138 141 -CG2_GB1_16 CA_GB1_17 1 0.000000e+00 1.413129e-05 ; 3.512989e-01 -1.413129e-05 9.998689e-01 5.951736e-01 0.004395 0.001132 True md_ensemble 5 138 143 -CG2_GB1_16 CB_GB1_17 1 0.000000e+00 2.495375e-05 ; 3.683463e-01 -2.495375e-05 1.696017e-01 2.208211e-01 0.004395 0.001132 True md_ensemble 6 138 144 -CG2_GB1_16 OG1_GB1_17 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 145 -CG2_GB1_16 C_GB1_17 1 0.000000e+00 3.103598e-06 ; 3.096115e-01 -3.103598e-06 4.861408e-01 1.428319e-01 0.004395 0.001132 True md_ensemble 6 138 147 +CG2_GB1_16 N_GB1_17 1 0.000000e+00 2.583622e-06 ; 3.049164e-01 -2.583622e-06 1.000000e+00 9.419309e-01 0.004395 0.001132 True md_ensemble 4 138 141 +CG2_GB1_16 CA_GB1_17 1 0.000000e+00 1.413128e-05 ; 3.512989e-01 -1.413128e-05 9.998689e-01 5.951736e-01 0.004395 0.001132 True md_ensemble 5 138 143 +CG2_GB1_16 CB_GB1_17 1 0.000000e+00 2.495374e-05 ; 3.683463e-01 -2.495374e-05 1.696017e-01 2.208211e-01 0.004395 0.001132 True md_ensemble 6 138 144 +CG2_GB1_16 OG1_GB1_17 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 145 +CG2_GB1_16 C_GB1_17 1 0.000000e+00 3.103558e-06 ; 3.096112e-01 -3.103558e-06 4.861408e-01 1.428319e-01 0.004395 0.001132 True md_ensemble 6 138 147 CG2_GB1_16 O_GB1_17 1 8.410570e-04 1.046755e-06 ; 3.279719e-01 1.689451e-01 2.694771e-01 7.081796e-02 0.004395 0.007862 True md_ensemble 7 138 148 -CG2_GB1_16 N_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 149 -CG2_GB1_16 CA_GB1_18 1 0.000000e+00 2.610187e-05 ; 3.697297e-01 -2.610187e-05 1.300153e-02 1.125873e-01 0.004395 0.010759 True md_ensemble 7 138 151 -CG2_GB1_16 CB_GB1_18 1 0.000000e+00 2.543933e-05 ; 3.689383e-01 -2.543933e-05 3.113874e-02 1.028137e-01 0.004395 0.010759 True md_ensemble 7 138 152 -CG2_GB1_16 OG1_GB1_18 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 153 -CG2_GB1_16 C_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 155 +CG2_GB1_16 N_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 149 +CG2_GB1_16 CA_GB1_18 1 0.000000e+00 2.610186e-05 ; 3.697297e-01 -2.610186e-05 1.300153e-02 1.125873e-01 0.004395 0.010759 True md_ensemble 7 138 151 +CG2_GB1_16 CB_GB1_18 1 0.000000e+00 2.543931e-05 ; 3.689383e-01 -2.543931e-05 3.113874e-02 1.028137e-01 0.004395 0.010759 True md_ensemble 7 138 152 +CG2_GB1_16 OG1_GB1_18 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 153 +CG2_GB1_16 C_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 155 CG2_GB1_16 O_GB1_18 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 156 -CG2_GB1_16 N_GB1_19 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 157 -CG2_GB1_16 CD_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 162 +CG2_GB1_16 N_GB1_19 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 157 +CG2_GB1_16 CD_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 162 CG2_GB1_16 OE1_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 163 CG2_GB1_16 OE2_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 164 -CG2_GB1_16 C_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 165 +CG2_GB1_16 C_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 165 CG2_GB1_16 O_GB1_19 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 166 -CG2_GB1_16 N_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 167 -CG2_GB1_16 C_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 171 +CG2_GB1_16 N_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 167 +CG2_GB1_16 C_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 171 CG2_GB1_16 O_GB1_20 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 172 -CG2_GB1_16 N_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 173 -CG2_GB1_16 C_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 179 +CG2_GB1_16 N_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 173 +CG2_GB1_16 C_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 179 CG2_GB1_16 O_GB1_21 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 180 -CG2_GB1_16 N_GB1_22 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 181 -CG2_GB1_16 CG_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 185 +CG2_GB1_16 N_GB1_22 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 181 +CG2_GB1_16 CG_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 185 CG2_GB1_16 OD1_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 186 CG2_GB1_16 OD2_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 187 -CG2_GB1_16 C_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 188 +CG2_GB1_16 C_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 188 CG2_GB1_16 O_GB1_22 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 189 -CG2_GB1_16 N_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 190 -CG2_GB1_16 C_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 194 +CG2_GB1_16 N_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 190 +CG2_GB1_16 C_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 194 CG2_GB1_16 O_GB1_23 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 195 -CG2_GB1_16 N_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 196 -CG2_GB1_16 C_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 200 +CG2_GB1_16 N_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 196 +CG2_GB1_16 C_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 200 CG2_GB1_16 O_GB1_24 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 201 -CG2_GB1_16 N_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 202 -CG2_GB1_16 OG1_GB1_25 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 206 -CG2_GB1_16 C_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 208 +CG2_GB1_16 N_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 202 +CG2_GB1_16 OG1_GB1_25 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 206 +CG2_GB1_16 C_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 208 CG2_GB1_16 O_GB1_25 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 209 -CG2_GB1_16 N_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 210 -CG2_GB1_16 C_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 214 +CG2_GB1_16 N_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 210 +CG2_GB1_16 C_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 214 CG2_GB1_16 O_GB1_26 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 215 -CG2_GB1_16 N_GB1_27 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 216 -CG2_GB1_16 CD_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 221 +CG2_GB1_16 N_GB1_27 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 216 +CG2_GB1_16 CD_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 221 CG2_GB1_16 OE1_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 222 CG2_GB1_16 OE2_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 223 -CG2_GB1_16 C_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 224 +CG2_GB1_16 C_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 224 CG2_GB1_16 O_GB1_27 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 225 -CG2_GB1_16 N_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 226 -CG2_GB1_16 NZ_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 233 -CG2_GB1_16 C_GB1_28 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 234 +CG2_GB1_16 N_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 226 +CG2_GB1_16 NZ_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 233 +CG2_GB1_16 C_GB1_28 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 234 CG2_GB1_16 O_GB1_28 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 235 -CG2_GB1_16 N_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 236 -CG2_GB1_16 C_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 242 +CG2_GB1_16 N_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 236 +CG2_GB1_16 C_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 242 CG2_GB1_16 O_GB1_29 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 243 -CG2_GB1_16 N_GB1_30 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 244 +CG2_GB1_16 N_GB1_30 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 244 CG2_GB1_16 CA_GB1_30 1 1.529789e-02 2.298897e-04 ; 4.967616e-01 2.544976e-01 1.570592e-01 9.135039e-04 0.004395 0.010759 True md_ensemble 7 138 246 CG2_GB1_16 CB_GB1_30 1 8.730955e-03 1.004883e-04 ; 4.751626e-01 1.896480e-01 4.468488e-02 1.026862e-03 0.004395 0.012151 True md_ensemble 7 138 247 CG2_GB1_16 CG_GB1_30 1 7.253316e-03 5.144144e-05 ; 4.383248e-01 2.556820e-01 1.607064e-01 1.240487e-03 0.004395 0.020719 True md_ensemble 7 138 248 @@ -22143,19 +22143,19 @@ CG2_GB1_16 CD2_GB1_30 1 3.269237e-03 7.701533e-06 ; 3.647722e-01 3.469411e- CG2_GB1_16 CE1_GB1_30 1 2.476809e-03 4.392539e-06 ; 3.479129e-01 3.491480e-01 9.836214e-01 3.447377e-03 0.004395 0.020719 True md_ensemble 7 138 251 CG2_GB1_16 CE2_GB1_30 1 2.476809e-03 4.392539e-06 ; 3.479129e-01 3.491480e-01 9.836214e-01 3.447377e-03 0.004395 0.020719 True md_ensemble 7 138 252 CG2_GB1_16 CZ_GB1_30 1 7.330813e-03 4.141565e-05 ; 4.220223e-01 3.243993e-01 6.088265e-01 3.787689e-03 0.004395 0.020719 True md_ensemble 7 138 253 -CG2_GB1_16 C_GB1_30 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 254 +CG2_GB1_16 C_GB1_30 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 254 CG2_GB1_16 O_GB1_30 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 255 -CG2_GB1_16 N_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 256 -CG2_GB1_16 NZ_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 263 -CG2_GB1_16 C_GB1_31 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 264 +CG2_GB1_16 N_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 256 +CG2_GB1_16 NZ_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 263 +CG2_GB1_16 C_GB1_31 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 264 CG2_GB1_16 O_GB1_31 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 265 -CG2_GB1_16 N_GB1_32 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 266 -CG2_GB1_16 CD_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 271 +CG2_GB1_16 N_GB1_32 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 266 +CG2_GB1_16 CD_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 271 CG2_GB1_16 OE1_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 272 -CG2_GB1_16 NE2_GB1_32 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 273 -CG2_GB1_16 C_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 274 +CG2_GB1_16 NE2_GB1_32 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 273 +CG2_GB1_16 C_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 274 CG2_GB1_16 O_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 275 -CG2_GB1_16 N_GB1_33 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 276 +CG2_GB1_16 N_GB1_33 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 276 CG2_GB1_16 CA_GB1_33 1 1.408702e-02 2.530823e-04 ; 5.117688e-01 1.960273e-01 5.056638e-02 1.007864e-03 0.004395 0.010759 True md_ensemble 7 138 278 CG2_GB1_16 CB_GB1_33 1 6.683244e-03 3.443102e-05 ; 4.155855e-01 3.243133e-01 6.078127e-01 9.025339e-04 0.004395 0.012151 True md_ensemble 7 138 279 CG2_GB1_16 CG_GB1_33 1 3.051416e-03 6.907305e-06 ; 3.623552e-01 3.370033e-01 7.773099e-01 8.338642e-04 0.004395 0.020719 True md_ensemble 7 138 280 @@ -22165,196 +22165,196 @@ CG2_GB1_16 CE1_GB1_33 1 1.757961e-03 2.279505e-06 ; 3.302214e-01 3.389361e- CG2_GB1_16 CE2_GB1_33 1 1.757961e-03 2.279505e-06 ; 3.302214e-01 3.389361e-01 8.069828e-01 1.133640e-03 0.004395 0.020719 True md_ensemble 7 138 284 CG2_GB1_16 CZ_GB1_33 1 2.402928e-03 4.228490e-06 ; 3.474621e-01 3.413786e-01 8.461074e-01 1.461514e-03 0.004395 0.020719 True md_ensemble 7 138 285 CG2_GB1_16 OH_GB1_33 1 2.527889e-03 5.367592e-06 ; 3.585119e-01 2.976299e-01 4.350813e-01 1.358717e-03 0.004395 0.001132 True md_ensemble 7 138 286 -CG2_GB1_16 C_GB1_33 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 287 +CG2_GB1_16 C_GB1_33 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 287 CG2_GB1_16 O_GB1_33 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 288 -CG2_GB1_16 N_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 289 -CG2_GB1_16 C_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 293 +CG2_GB1_16 N_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 289 +CG2_GB1_16 C_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 293 CG2_GB1_16 O_GB1_34 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 294 -CG2_GB1_16 N_GB1_35 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 295 -CG2_GB1_16 CG_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 299 +CG2_GB1_16 N_GB1_35 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 295 +CG2_GB1_16 CG_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 299 CG2_GB1_16 OD1_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 300 -CG2_GB1_16 ND2_GB1_35 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 301 -CG2_GB1_16 C_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 302 +CG2_GB1_16 ND2_GB1_35 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 301 +CG2_GB1_16 C_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 302 CG2_GB1_16 O_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 303 -CG2_GB1_16 N_GB1_36 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 304 -CG2_GB1_16 CG_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 308 +CG2_GB1_16 N_GB1_36 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 304 +CG2_GB1_16 CG_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 308 CG2_GB1_16 OD1_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 309 CG2_GB1_16 OD2_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 310 -CG2_GB1_16 C_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 311 +CG2_GB1_16 C_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 311 CG2_GB1_16 O_GB1_36 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 312 -CG2_GB1_16 N_GB1_37 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 313 -CG2_GB1_16 CG_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 317 +CG2_GB1_16 N_GB1_37 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 313 +CG2_GB1_16 CG_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 317 CG2_GB1_16 OD1_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 318 -CG2_GB1_16 ND2_GB1_37 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 319 -CG2_GB1_16 C_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 320 +CG2_GB1_16 ND2_GB1_37 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 319 +CG2_GB1_16 C_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 320 CG2_GB1_16 O_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 321 -CG2_GB1_16 N_GB1_38 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 322 -CG2_GB1_16 C_GB1_38 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 325 +CG2_GB1_16 N_GB1_38 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 322 +CG2_GB1_16 C_GB1_38 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 325 CG2_GB1_16 O_GB1_38 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 326 -CG2_GB1_16 N_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 327 -CG2_GB1_16 C_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 333 +CG2_GB1_16 N_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 327 +CG2_GB1_16 C_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 333 CG2_GB1_16 O_GB1_39 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 334 -CG2_GB1_16 N_GB1_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 335 -CG2_GB1_16 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 339 +CG2_GB1_16 N_GB1_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 335 +CG2_GB1_16 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 339 CG2_GB1_16 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 340 CG2_GB1_16 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 341 -CG2_GB1_16 C_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 342 +CG2_GB1_16 C_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 342 CG2_GB1_16 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 343 -CG2_GB1_16 N_GB1_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 344 -CG2_GB1_16 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 347 +CG2_GB1_16 N_GB1_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 344 +CG2_GB1_16 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 347 CG2_GB1_16 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 348 -CG2_GB1_16 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 349 -CG2_GB1_16 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 354 +CG2_GB1_16 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 349 +CG2_GB1_16 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 354 CG2_GB1_16 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 355 CG2_GB1_16 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 356 -CG2_GB1_16 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 357 +CG2_GB1_16 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 357 CG2_GB1_16 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 358 -CG2_GB1_16 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 359 -CG2_GB1_16 NE1_GB1_43 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 366 -CG2_GB1_16 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 372 +CG2_GB1_16 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 359 +CG2_GB1_16 NE1_GB1_43 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 366 +CG2_GB1_16 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 372 CG2_GB1_16 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 373 -CG2_GB1_16 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 374 -CG2_GB1_16 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 378 -CG2_GB1_16 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 380 +CG2_GB1_16 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 374 +CG2_GB1_16 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 378 +CG2_GB1_16 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 380 CG2_GB1_16 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 381 -CG2_GB1_16 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 382 -CG2_GB1_16 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 392 -CG2_GB1_16 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 393 +CG2_GB1_16 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 382 +CG2_GB1_16 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 392 +CG2_GB1_16 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 393 CG2_GB1_16 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 394 -CG2_GB1_16 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 395 -CG2_GB1_16 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 399 +CG2_GB1_16 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 395 +CG2_GB1_16 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 399 CG2_GB1_16 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 400 CG2_GB1_16 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 401 -CG2_GB1_16 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 402 +CG2_GB1_16 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 402 CG2_GB1_16 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 403 -CG2_GB1_16 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 404 -CG2_GB1_16 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 408 +CG2_GB1_16 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 404 +CG2_GB1_16 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 408 CG2_GB1_16 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 409 CG2_GB1_16 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 410 -CG2_GB1_16 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 411 +CG2_GB1_16 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 411 CG2_GB1_16 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 412 -CG2_GB1_16 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 413 -CG2_GB1_16 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 417 +CG2_GB1_16 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 413 +CG2_GB1_16 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 417 CG2_GB1_16 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 418 -CG2_GB1_16 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 419 -CG2_GB1_16 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 423 -CG2_GB1_16 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 425 +CG2_GB1_16 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 419 +CG2_GB1_16 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 423 +CG2_GB1_16 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 425 CG2_GB1_16 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 426 -CG2_GB1_16 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 427 -CG2_GB1_16 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 434 -CG2_GB1_16 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 435 +CG2_GB1_16 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 427 +CG2_GB1_16 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 434 +CG2_GB1_16 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 435 CG2_GB1_16 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 436 -CG2_GB1_16 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 437 -CG2_GB1_16 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 441 -CG2_GB1_16 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 443 +CG2_GB1_16 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 437 +CG2_GB1_16 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 441 +CG2_GB1_16 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 443 CG2_GB1_16 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 444 -CG2_GB1_16 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 445 -CG2_GB1_16 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 455 +CG2_GB1_16 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 445 +CG2_GB1_16 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 455 CG2_GB1_16 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 456 -CG2_GB1_16 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 457 -CG2_GB1_16 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 461 -CG2_GB1_16 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 463 +CG2_GB1_16 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 457 +CG2_GB1_16 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 461 +CG2_GB1_16 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 463 CG2_GB1_16 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 464 -CG2_GB1_16 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 465 -CG2_GB1_16 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 471 +CG2_GB1_16 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 465 +CG2_GB1_16 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 471 CG2_GB1_16 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 472 -CG2_GB1_16 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 473 -CG2_GB1_16 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 477 -CG2_GB1_16 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 479 +CG2_GB1_16 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 473 +CG2_GB1_16 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 477 +CG2_GB1_16 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 479 CG2_GB1_16 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 480 -CG2_GB1_16 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 481 -CG2_GB1_16 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 486 +CG2_GB1_16 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 481 +CG2_GB1_16 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 486 CG2_GB1_16 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 487 CG2_GB1_16 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 488 -CG2_GB1_16 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 489 +CG2_GB1_16 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 489 CG2_GB1_16 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 490 CG2_GB1_16 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 138 491 - C_GB1_16 CB_GB1_17 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 144 - C_GB1_16 OG1_GB1_17 1 0.000000e+00 1.020593e-06 ; 2.822059e-01 -1.020593e-06 9.806881e-01 8.744078e-01 0.004395 0.001132 True md_ensemble 4 139 145 - C_GB1_16 CG2_GB1_17 1 0.000000e+00 4.690961e-06 ; 3.204548e-01 -4.690961e-06 9.999400e-01 9.925017e-01 0.004395 0.001132 True md_ensemble 4 139 146 - C_GB1_16 O_GB1_17 1 0.000000e+00 7.011265e-07 ; 2.735130e-01 -7.011265e-07 9.999582e-01 8.478118e-01 0.004395 0.001132 True md_ensemble 4 139 148 - C_GB1_16 N_GB1_18 1 0.000000e+00 1.702702e-06 ; 2.945031e-01 -1.702702e-06 8.368126e-01 9.658139e-01 0.004395 0.001132 True md_ensemble 4 139 149 - C_GB1_16 CA_GB1_18 1 0.000000e+00 2.242633e-05 ; 3.650829e-01 -2.242633e-05 1.195357e-01 8.377825e-01 0.004395 0.001132 True md_ensemble 5 139 151 - C_GB1_16 CB_GB1_18 1 0.000000e+00 1.817836e-05 ; 3.587494e-01 -1.817836e-05 1.183284e-02 4.046119e-01 0.004395 0.001132 True md_ensemble 6 139 152 - C_GB1_16 CG2_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 154 + C_GB1_16 CB_GB1_17 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 144 + C_GB1_16 OG1_GB1_17 1 0.000000e+00 1.020577e-06 ; 2.822055e-01 -1.020577e-06 9.806881e-01 8.744078e-01 0.004395 0.001132 True md_ensemble 4 139 145 + C_GB1_16 CG2_GB1_17 1 0.000000e+00 4.690900e-06 ; 3.204545e-01 -4.690900e-06 9.999400e-01 9.925017e-01 0.004395 0.001132 True md_ensemble 4 139 146 + C_GB1_16 O_GB1_17 1 0.000000e+00 7.011232e-07 ; 2.735129e-01 -7.011232e-07 9.999582e-01 8.478118e-01 0.004395 0.001132 True md_ensemble 4 139 148 + C_GB1_16 N_GB1_18 1 0.000000e+00 1.702678e-06 ; 2.945028e-01 -1.702678e-06 8.368126e-01 9.658139e-01 0.004395 0.001132 True md_ensemble 4 139 149 + C_GB1_16 CA_GB1_18 1 0.000000e+00 2.242621e-05 ; 3.650828e-01 -2.242621e-05 1.195357e-01 8.377825e-01 0.004395 0.001132 True md_ensemble 5 139 151 + C_GB1_16 CB_GB1_18 1 0.000000e+00 1.817827e-05 ; 3.587493e-01 -1.817827e-05 1.183284e-02 4.046119e-01 0.004395 0.001132 True md_ensemble 6 139 152 + C_GB1_16 CG2_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 154 C_GB1_16 C_GB1_18 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 0.000000e+00 1.384070e-01 0.004395 0.001132 True md_ensemble 6 139 155 - C_GB1_16 CB_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 160 - C_GB1_16 CG_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 161 - C_GB1_16 CB_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 170 - C_GB1_16 CB_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 176 - C_GB1_16 CG1_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 177 - C_GB1_16 CG2_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 178 - C_GB1_16 CB_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 184 - C_GB1_16 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 193 - C_GB1_16 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 199 - C_GB1_16 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 205 - C_GB1_16 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 207 - C_GB1_16 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 213 - C_GB1_16 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 219 - C_GB1_16 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 220 - C_GB1_16 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 229 - C_GB1_16 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 230 - C_GB1_16 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 231 - C_GB1_16 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 232 - C_GB1_16 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 239 - C_GB1_16 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 240 - C_GB1_16 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 241 - C_GB1_16 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 247 + C_GB1_16 CB_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 160 + C_GB1_16 CG_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 161 + C_GB1_16 CB_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 170 + C_GB1_16 CB_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 176 + C_GB1_16 CG1_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 177 + C_GB1_16 CG2_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 178 + C_GB1_16 CB_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 184 + C_GB1_16 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 193 + C_GB1_16 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 199 + C_GB1_16 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 205 + C_GB1_16 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 207 + C_GB1_16 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 213 + C_GB1_16 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 219 + C_GB1_16 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 220 + C_GB1_16 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 229 + C_GB1_16 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 230 + C_GB1_16 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 231 + C_GB1_16 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 232 + C_GB1_16 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 239 + C_GB1_16 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 240 + C_GB1_16 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 241 + C_GB1_16 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 247 C_GB1_16 CD1_GB1_30 1 4.647067e-03 2.902022e-05 ; 4.291281e-01 1.860361e-01 4.166354e-02 6.342396e-04 0.004395 0.015243 True md_ensemble 7 139 249 C_GB1_16 CD2_GB1_30 1 4.647067e-03 2.902022e-05 ; 4.291281e-01 1.860361e-01 4.166354e-02 6.342396e-04 0.004395 0.015243 True md_ensemble 7 139 250 C_GB1_16 CE1_GB1_30 1 4.104896e-03 1.228664e-05 ; 3.796253e-01 3.428556e-01 8.706804e-01 8.492635e-04 0.004395 0.015243 True md_ensemble 7 139 251 C_GB1_16 CE2_GB1_30 1 4.104896e-03 1.228664e-05 ; 3.796253e-01 3.428556e-01 8.706804e-01 8.492635e-04 0.004395 0.015243 True md_ensemble 7 139 252 C_GB1_16 CZ_GB1_30 1 5.233197e-03 2.062836e-05 ; 3.974504e-01 3.319017e-01 7.041231e-01 2.633916e-04 0.004395 0.015243 True md_ensemble 7 139 253 - C_GB1_16 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 259 - C_GB1_16 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 260 - C_GB1_16 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 261 - C_GB1_16 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 262 - C_GB1_16 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 269 - C_GB1_16 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 270 - C_GB1_16 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 279 - C_GB1_16 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 292 - C_GB1_16 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 298 - C_GB1_16 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 307 - C_GB1_16 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 316 - C_GB1_16 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 324 - C_GB1_16 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 330 - C_GB1_16 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 331 - C_GB1_16 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 332 - C_GB1_16 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 338 - C_GB1_16 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 346 - C_GB1_16 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 352 - C_GB1_16 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 353 - C_GB1_16 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 362 - C_GB1_16 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 377 - C_GB1_16 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 379 - C_GB1_16 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 385 - C_GB1_16 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 398 - C_GB1_16 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 407 - C_GB1_16 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 416 - C_GB1_16 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 422 - C_GB1_16 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 424 - C_GB1_16 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 430 - C_GB1_16 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 431 - C_GB1_16 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 432 - C_GB1_16 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 433 - C_GB1_16 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 440 - C_GB1_16 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 442 - C_GB1_16 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 448 - C_GB1_16 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 460 - C_GB1_16 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 462 - C_GB1_16 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 468 - C_GB1_16 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 469 - C_GB1_16 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 470 - C_GB1_16 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 476 - C_GB1_16 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 478 - C_GB1_16 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 484 - C_GB1_16 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 485 + C_GB1_16 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 259 + C_GB1_16 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 260 + C_GB1_16 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 261 + C_GB1_16 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 262 + C_GB1_16 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 269 + C_GB1_16 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 270 + C_GB1_16 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 279 + C_GB1_16 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 292 + C_GB1_16 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 298 + C_GB1_16 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 307 + C_GB1_16 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 316 + C_GB1_16 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 324 + C_GB1_16 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 330 + C_GB1_16 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 331 + C_GB1_16 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 332 + C_GB1_16 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 338 + C_GB1_16 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 346 + C_GB1_16 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 352 + C_GB1_16 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 353 + C_GB1_16 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 362 + C_GB1_16 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 377 + C_GB1_16 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 379 + C_GB1_16 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 385 + C_GB1_16 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 398 + C_GB1_16 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 407 + C_GB1_16 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 416 + C_GB1_16 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 422 + C_GB1_16 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 424 + C_GB1_16 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 430 + C_GB1_16 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 431 + C_GB1_16 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 432 + C_GB1_16 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 433 + C_GB1_16 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 440 + C_GB1_16 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 442 + C_GB1_16 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 448 + C_GB1_16 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 460 + C_GB1_16 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 462 + C_GB1_16 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 468 + C_GB1_16 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 469 + C_GB1_16 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 470 + C_GB1_16 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 476 + C_GB1_16 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 478 + C_GB1_16 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 484 + C_GB1_16 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 139 485 O_GB1_16 O_GB1_16 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 140 140 O_GB1_16 H_GB1_17 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 140 142 - O_GB1_16 CB_GB1_17 1 0.000000e+00 4.153495e-06 ; 3.172216e-01 -4.153495e-06 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 140 144 - O_GB1_16 OG1_GB1_17 1 0.000000e+00 3.905082e-07 ; 2.604939e-01 -3.905082e-07 7.945368e-02 1.540317e-01 0.004395 0.001132 True md_ensemble 5 140 145 + O_GB1_16 CB_GB1_17 1 0.000000e+00 4.153528e-06 ; 3.172218e-01 -4.153528e-06 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 140 144 + O_GB1_16 OG1_GB1_17 1 0.000000e+00 3.905071e-07 ; 2.604938e-01 -3.905071e-07 7.945368e-02 1.540317e-01 0.004395 0.001132 True md_ensemble 5 140 145 O_GB1_16 CG2_GB1_17 1 0.000000e+00 8.391887e-07 ; 2.776408e-01 -8.391887e-07 9.334648e-01 4.914391e-01 0.004395 0.001132 True md_ensemble 5 140 146 - O_GB1_16 C_GB1_17 1 0.000000e+00 8.228288e-07 ; 2.771857e-01 -8.228288e-07 9.999612e-01 9.949862e-01 0.004395 0.001132 True md_ensemble 4 140 147 + O_GB1_16 C_GB1_17 1 0.000000e+00 8.228250e-07 ; 2.771856e-01 -8.228250e-07 9.999612e-01 9.949862e-01 0.004395 0.001132 True md_ensemble 4 140 147 O_GB1_16 O_GB1_17 1 0.000000e+00 1.384259e-06 ; 2.894653e-01 -1.384259e-06 8.520211e-01 7.748604e-01 0.004395 0.001132 True md_ensemble 5 140 148 O_GB1_16 N_GB1_18 1 0.000000e+00 1.994907e-06 ; 2.984159e-01 -1.994907e-06 5.520290e-01 8.819673e-01 0.004395 0.001132 True md_ensemble 5 140 149 O_GB1_16 H_GB1_18 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 140 150 @@ -22531,127 +22531,127 @@ CG2_GB1_16 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- O_GB1_16 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 140 488 O_GB1_16 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 140 490 O_GB1_16 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 140 491 - N_GB1_17 CB_GB1_17 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 144 - N_GB1_17 CG2_GB1_17 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 146 - N_GB1_17 CA_GB1_18 1 0.000000e+00 7.574408e-06 ; 3.335089e-01 -7.574408e-06 1.000000e+00 9.999225e-01 0.004395 0.001132 True md_ensemble 4 141 151 - N_GB1_17 CB_GB1_18 1 0.000000e+00 9.362194e-06 ; 3.394505e-01 -9.362194e-06 3.234804e-01 5.594145e-01 0.004395 0.001132 True md_ensemble 5 141 152 + N_GB1_17 CB_GB1_17 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 144 + N_GB1_17 CG2_GB1_17 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 146 + N_GB1_17 CA_GB1_18 1 0.000000e+00 7.574396e-06 ; 3.335088e-01 -7.574396e-06 1.000000e+00 9.999225e-01 0.004395 0.001132 True md_ensemble 4 141 151 + N_GB1_17 CB_GB1_18 1 0.000000e+00 9.362180e-06 ; 3.394505e-01 -9.362180e-06 3.234804e-01 5.594145e-01 0.004395 0.001132 True md_ensemble 5 141 152 N_GB1_17 OG1_GB1_18 1 0.000000e+00 6.627671e-07 ; 2.722336e-01 -6.627671e-07 4.826875e-04 5.268325e-02 0.004395 0.001132 True md_ensemble 6 141 153 - N_GB1_17 CG2_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 154 + N_GB1_17 CG2_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 154 N_GB1_17 C_GB1_18 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 0.000000e+00 7.774805e-02 0.004395 0.001132 True md_ensemble 5 141 155 N_GB1_17 O_GB1_18 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 0.000000e+00 1.289282e-01 0.004395 0.001132 True md_ensemble 6 141 156 N_GB1_17 N_GB1_19 1 0.000000e+00 8.752940e-07 ; 2.786171e-01 -8.752940e-07 0.000000e+00 5.834552e-02 0.004395 0.001132 True md_ensemble 6 141 157 - N_GB1_17 CB_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 160 - N_GB1_17 CG_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 161 + N_GB1_17 CB_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 160 + N_GB1_17 CG_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 161 N_GB1_17 N_GB1_20 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 7.607023e-04 0.004395 0.001132 True md_ensemble 7 141 167 - N_GB1_17 CB_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 170 + N_GB1_17 CB_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 170 N_GB1_17 N_GB1_21 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 141 173 - N_GB1_17 CB_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 176 - N_GB1_17 CG1_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 177 - N_GB1_17 CG2_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 178 + N_GB1_17 CB_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 176 + N_GB1_17 CG1_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 177 + N_GB1_17 CG2_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 178 N_GB1_17 N_GB1_22 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 3.305109e-06 0.004395 0.001132 True md_ensemble 7 141 181 - N_GB1_17 CB_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 184 + N_GB1_17 CB_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 184 N_GB1_17 N_GB1_23 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 141 190 - N_GB1_17 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 193 + N_GB1_17 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 193 N_GB1_17 N_GB1_24 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 141 196 - N_GB1_17 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 199 + N_GB1_17 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 199 N_GB1_17 N_GB1_25 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 141 202 - N_GB1_17 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 205 - N_GB1_17 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 207 + N_GB1_17 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 205 + N_GB1_17 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 207 N_GB1_17 N_GB1_26 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 141 210 - N_GB1_17 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 213 + N_GB1_17 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 213 N_GB1_17 N_GB1_27 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 141 216 - N_GB1_17 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 219 - N_GB1_17 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 220 + N_GB1_17 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 219 + N_GB1_17 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 220 N_GB1_17 N_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 141 226 - N_GB1_17 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 229 - N_GB1_17 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 230 - N_GB1_17 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 231 - N_GB1_17 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 232 + N_GB1_17 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 229 + N_GB1_17 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 230 + N_GB1_17 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 231 + N_GB1_17 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 232 N_GB1_17 NZ_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 141 233 N_GB1_17 N_GB1_29 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 141 236 - N_GB1_17 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 239 - N_GB1_17 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 240 - N_GB1_17 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 241 + N_GB1_17 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 239 + N_GB1_17 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 240 + N_GB1_17 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 241 N_GB1_17 N_GB1_30 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 141 244 - N_GB1_17 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 247 + N_GB1_17 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 247 N_GB1_17 CE1_GB1_30 1 3.970374e-03 1.223324e-05 ; 3.814623e-01 3.221524e-01 5.828806e-01 4.145950e-04 0.004395 0.015244 True md_ensemble 7 141 251 N_GB1_17 CE2_GB1_30 1 3.970374e-03 1.223324e-05 ; 3.814623e-01 3.221524e-01 5.828806e-01 4.145950e-04 0.004395 0.015244 True md_ensemble 7 141 252 N_GB1_17 CZ_GB1_30 1 4.489287e-03 1.682913e-05 ; 3.941372e-01 2.993871e-01 3.749231e-01 2.225904e-04 0.004395 0.015244 True md_ensemble 7 141 253 N_GB1_17 N_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 141 256 - N_GB1_17 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 259 - N_GB1_17 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 260 - N_GB1_17 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 261 - N_GB1_17 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 262 + N_GB1_17 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 259 + N_GB1_17 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 260 + N_GB1_17 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 261 + N_GB1_17 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 262 N_GB1_17 NZ_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.907801e-04 0.004395 0.001132 True md_ensemble 7 141 263 N_GB1_17 N_GB1_32 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 141 266 - N_GB1_17 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 269 - N_GB1_17 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 270 + N_GB1_17 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 269 + N_GB1_17 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 270 N_GB1_17 N_GB1_33 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 141 276 - N_GB1_17 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 279 + N_GB1_17 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 279 N_GB1_17 N_GB1_34 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 141 289 - N_GB1_17 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 292 + N_GB1_17 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 292 N_GB1_17 N_GB1_35 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 141 295 - N_GB1_17 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 298 + N_GB1_17 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 298 N_GB1_17 N_GB1_36 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 141 304 - N_GB1_17 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 307 + N_GB1_17 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 307 N_GB1_17 N_GB1_37 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 141 313 - N_GB1_17 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 316 + N_GB1_17 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 316 N_GB1_17 N_GB1_38 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 141 322 - N_GB1_17 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 324 + N_GB1_17 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 324 N_GB1_17 N_GB1_39 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 141 327 - N_GB1_17 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 330 - N_GB1_17 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 331 - N_GB1_17 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 332 + N_GB1_17 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 330 + N_GB1_17 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 331 + N_GB1_17 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 332 N_GB1_17 N_GB1_40 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 141 335 - N_GB1_17 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 338 + N_GB1_17 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 338 N_GB1_17 N_GB1_41 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 7.517205e-05 0.004395 0.001132 True md_ensemble 7 141 344 - N_GB1_17 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 346 + N_GB1_17 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 346 N_GB1_17 N_GB1_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 141 349 - N_GB1_17 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 352 - N_GB1_17 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 353 + N_GB1_17 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 352 + N_GB1_17 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 353 N_GB1_17 N_GB1_43 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 141 359 - N_GB1_17 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 362 + N_GB1_17 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 362 N_GB1_17 N_GB1_44 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 141 374 - N_GB1_17 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 377 - N_GB1_17 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 379 + N_GB1_17 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 377 + N_GB1_17 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 379 N_GB1_17 N_GB1_45 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 141 382 - N_GB1_17 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 385 + N_GB1_17 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 385 N_GB1_17 N_GB1_46 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 141 395 - N_GB1_17 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 398 + N_GB1_17 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 398 N_GB1_17 N_GB1_47 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 141 404 - N_GB1_17 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 407 + N_GB1_17 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 407 N_GB1_17 N_GB1_48 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 141 413 - N_GB1_17 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 416 + N_GB1_17 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 416 N_GB1_17 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 141 419 - N_GB1_17 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 422 - N_GB1_17 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 424 + N_GB1_17 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 422 + N_GB1_17 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 424 N_GB1_17 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 141 427 - N_GB1_17 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 430 - N_GB1_17 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 431 - N_GB1_17 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 432 - N_GB1_17 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 433 + N_GB1_17 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 430 + N_GB1_17 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 431 + N_GB1_17 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 432 + N_GB1_17 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 433 N_GB1_17 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 141 434 N_GB1_17 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 141 437 - N_GB1_17 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 440 - N_GB1_17 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 442 + N_GB1_17 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 440 + N_GB1_17 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 442 N_GB1_17 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 141 445 - N_GB1_17 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 448 + N_GB1_17 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 448 N_GB1_17 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 141 457 - N_GB1_17 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 460 - N_GB1_17 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 462 + N_GB1_17 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 460 + N_GB1_17 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 462 N_GB1_17 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 141 465 - N_GB1_17 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 468 - N_GB1_17 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 469 - N_GB1_17 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 470 + N_GB1_17 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 468 + N_GB1_17 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 469 + N_GB1_17 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 470 N_GB1_17 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 141 473 - N_GB1_17 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 476 - N_GB1_17 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 478 + N_GB1_17 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 476 + N_GB1_17 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 478 N_GB1_17 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 141 481 - N_GB1_17 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 484 - N_GB1_17 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 485 + N_GB1_17 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 484 + N_GB1_17 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 141 485 H_GB1_17 H_GB1_17 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 142 142 - H_GB1_17 OG1_GB1_17 1 0.000000e+00 1.844926e-08 ; 2.019885e-01 -1.844926e-08 9.128184e-01 7.738478e-01 0.004395 0.001132 True md_ensemble 4 142 145 - H_GB1_17 O_GB1_17 1 0.000000e+00 5.939274e-09 ; 1.837833e-01 -5.939274e-09 9.956016e-01 3.783805e-01 0.004395 0.001132 True md_ensemble 4 142 148 + H_GB1_17 OG1_GB1_17 1 0.000000e+00 1.844935e-08 ; 2.019885e-01 -1.844935e-08 9.128184e-01 7.738478e-01 0.004395 0.001132 True md_ensemble 4 142 145 + H_GB1_17 O_GB1_17 1 0.000000e+00 5.939368e-09 ; 1.837836e-01 -5.939368e-09 9.956016e-01 3.783805e-01 0.004395 0.001132 True md_ensemble 4 142 148 H_GB1_17 H_GB1_18 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 142 150 H_GB1_17 OG1_GB1_18 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 142 153 H_GB1_17 O_GB1_18 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 142 156 @@ -22761,565 +22761,565 @@ CG2_GB1_16 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- H_GB1_17 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 142 488 H_GB1_17 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 142 490 H_GB1_17 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 142 491 - CA_GB1_17 CB_GB1_18 1 0.000000e+00 6.555562e-05 ; 3.992202e-01 -6.555562e-05 1.000000e+00 9.999982e-01 0.004395 0.001132 True md_ensemble 4 143 152 - CA_GB1_17 OG1_GB1_18 1 0.000000e+00 9.792561e-06 ; 3.407242e-01 -9.792561e-06 3.683212e-02 7.441209e-01 0.004395 0.001132 True md_ensemble 5 143 153 - CA_GB1_17 CG2_GB1_18 1 0.000000e+00 1.855189e-05 ; 3.593580e-01 -1.855189e-05 9.648819e-01 7.464118e-01 0.004395 0.001132 True md_ensemble 5 143 154 - CA_GB1_17 C_GB1_18 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 143 155 - CA_GB1_17 O_GB1_18 1 0.000000e+00 2.123651e-06 ; 2.999751e-01 -2.123651e-06 9.356516e-01 4.469441e-01 0.004395 0.001132 True md_ensemble 5 143 156 - CA_GB1_17 N_GB1_19 1 0.000000e+00 1.223727e-05 ; 3.471113e-01 -1.223727e-05 7.082672e-03 6.225650e-01 0.004395 0.001132 True md_ensemble 5 143 157 + CA_GB1_17 CB_GB1_18 1 0.000000e+00 6.555610e-05 ; 3.992204e-01 -6.555610e-05 1.000000e+00 9.999982e-01 0.004395 0.001132 True md_ensemble 4 143 152 + CA_GB1_17 OG1_GB1_18 1 0.000000e+00 9.792528e-06 ; 3.407241e-01 -9.792528e-06 3.683212e-02 7.441209e-01 0.004395 0.001132 True md_ensemble 5 143 153 + CA_GB1_17 CG2_GB1_18 1 0.000000e+00 1.855188e-05 ; 3.593580e-01 -1.855188e-05 9.648819e-01 7.464118e-01 0.004395 0.001132 True md_ensemble 5 143 154 + CA_GB1_17 C_GB1_18 1 0.000000e+00 1.305180e-05 ; 3.489803e-01 -1.305180e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 143 155 + CA_GB1_17 O_GB1_18 1 0.000000e+00 2.123667e-06 ; 2.999753e-01 -2.123667e-06 9.356516e-01 4.469441e-01 0.004395 0.001132 True md_ensemble 5 143 156 + CA_GB1_17 N_GB1_19 1 0.000000e+00 1.223725e-05 ; 3.471112e-01 -1.223725e-05 7.082672e-03 6.225650e-01 0.004395 0.001132 True md_ensemble 5 143 157 CA_GB1_17 CA_GB1_19 1 0.000000e+00 6.555574e-05 ; 3.992202e-01 -6.555574e-05 2.128620e-03 6.117446e-01 0.004395 0.001132 True md_ensemble 6 143 159 CA_GB1_17 CD1_GB1_30 1 1.505992e-02 1.993733e-04 ; 4.863781e-01 2.843928e-01 2.803625e-01 1.216919e-03 0.004395 0.010759 True md_ensemble 7 143 249 CA_GB1_17 CD2_GB1_30 1 1.505992e-02 1.993733e-04 ; 4.863781e-01 2.843928e-01 2.803625e-01 1.216919e-03 0.004395 0.010759 True md_ensemble 7 143 250 CA_GB1_17 CE1_GB1_30 1 4.684435e-03 1.569648e-05 ; 3.868336e-01 3.495041e-01 9.904342e-01 1.924953e-03 0.004395 0.010759 True md_ensemble 7 143 251 CA_GB1_17 CE2_GB1_30 1 4.684435e-03 1.569648e-05 ; 3.868336e-01 3.495041e-01 9.904342e-01 1.924953e-03 0.004395 0.010759 True md_ensemble 7 143 252 CA_GB1_17 CZ_GB1_30 1 3.880707e-03 1.076713e-05 ; 3.748563e-01 3.496728e-01 9.936773e-01 2.028078e-03 0.004395 0.010759 True md_ensemble 7 143 253 - CB_GB1_17 OG1_GB1_17 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 145 - CB_GB1_17 C_GB1_17 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 147 + CB_GB1_17 OG1_GB1_17 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 145 + CB_GB1_17 C_GB1_17 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 147 CB_GB1_17 O_GB1_17 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 148 - CB_GB1_17 N_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 149 - CB_GB1_17 CA_GB1_18 1 0.000000e+00 6.555574e-05 ; 3.992202e-01 -6.555574e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 144 151 - CB_GB1_17 CB_GB1_18 1 0.000000e+00 6.545368e-05 ; 3.991684e-01 -6.545368e-05 9.999946e-01 9.984377e-01 0.004395 0.001132 True md_ensemble 5 144 152 - CB_GB1_17 OG1_GB1_18 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 153 - CB_GB1_17 CG2_GB1_18 1 0.000000e+00 3.137679e-05 ; 3.754445e-01 -3.137679e-05 5.097751e-02 3.727785e-01 0.004395 0.001132 True md_ensemble 6 144 154 - CB_GB1_17 C_GB1_18 1 0.000000e+00 8.204563e-06 ; 3.357373e-01 -8.204563e-06 9.968090e-01 6.254213e-01 0.004395 0.001132 True md_ensemble 5 144 155 + CB_GB1_17 N_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 149 + CB_GB1_17 CA_GB1_18 1 0.000000e+00 6.555622e-05 ; 3.992205e-01 -6.555622e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 144 151 + CB_GB1_17 CB_GB1_18 1 0.000000e+00 6.545416e-05 ; 3.991687e-01 -6.545416e-05 9.999946e-01 9.984377e-01 0.004395 0.001132 True md_ensemble 5 144 152 + CB_GB1_17 OG1_GB1_18 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 153 + CB_GB1_17 CG2_GB1_18 1 0.000000e+00 3.137678e-05 ; 3.754445e-01 -3.137678e-05 5.097751e-02 3.727785e-01 0.004395 0.001132 True md_ensemble 6 144 154 + CB_GB1_17 C_GB1_18 1 0.000000e+00 8.204520e-06 ; 3.357372e-01 -8.204520e-06 9.968090e-01 6.254213e-01 0.004395 0.001132 True md_ensemble 5 144 155 CB_GB1_17 O_GB1_18 1 1.658421e-03 9.286769e-06 ; 4.214004e-01 7.403974e-02 7.178205e-01 1.709036e-01 0.004395 0.001132 True md_ensemble 6 144 156 - CB_GB1_17 N_GB1_19 1 0.000000e+00 9.499549e-06 ; 3.398628e-01 -9.499549e-06 2.478082e-02 2.788475e-01 0.004395 0.001132 True md_ensemble 6 144 157 - CB_GB1_17 CA_GB1_19 1 0.000000e+00 8.315980e-05 ; 4.072125e-01 -8.315980e-05 4.488168e-02 3.134175e-01 0.004395 0.006476 True md_ensemble 7 144 159 - CB_GB1_17 CG_GB1_19 1 0.000000e+00 3.638200e-05 ; 3.801038e-01 -3.638200e-05 1.096658e-02 1.545635e-01 0.004395 0.007117 True md_ensemble 7 144 161 - CB_GB1_17 CD_GB1_19 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 162 - CB_GB1_17 OE1_GB1_19 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 163 - CB_GB1_17 OE2_GB1_19 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 164 - CB_GB1_17 C_GB1_19 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 165 + CB_GB1_17 N_GB1_19 1 0.000000e+00 9.499534e-06 ; 3.398627e-01 -9.499534e-06 2.478082e-02 2.788475e-01 0.004395 0.001132 True md_ensemble 6 144 157 + CB_GB1_17 CA_GB1_19 1 0.000000e+00 8.316042e-05 ; 4.072128e-01 -8.316042e-05 4.488168e-02 3.134175e-01 0.004395 0.006476 True md_ensemble 7 144 159 + CB_GB1_17 CG_GB1_19 1 0.000000e+00 3.638184e-05 ; 3.801037e-01 -3.638184e-05 1.096658e-02 1.545635e-01 0.004395 0.007117 True md_ensemble 7 144 161 + CB_GB1_17 CD_GB1_19 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 162 + CB_GB1_17 OE1_GB1_19 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 163 + CB_GB1_17 OE2_GB1_19 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 164 + CB_GB1_17 C_GB1_19 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 165 CB_GB1_17 O_GB1_19 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 7.904363e-02 0.004395 0.007862 True md_ensemble 7 144 166 - CB_GB1_17 N_GB1_20 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 167 - CB_GB1_17 C_GB1_20 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 171 + CB_GB1_17 N_GB1_20 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 167 + CB_GB1_17 C_GB1_20 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 171 CB_GB1_17 O_GB1_20 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.841421e-02 0.004395 0.007862 True md_ensemble 7 144 172 - CB_GB1_17 N_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 173 - CB_GB1_17 C_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 179 + CB_GB1_17 N_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 173 + CB_GB1_17 C_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 179 CB_GB1_17 O_GB1_21 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 4.513001e-03 0.004395 0.007862 True md_ensemble 7 144 180 - CB_GB1_17 N_GB1_22 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 181 - CB_GB1_17 CG_GB1_22 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 185 - CB_GB1_17 OD1_GB1_22 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 186 - CB_GB1_17 OD2_GB1_22 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 187 - CB_GB1_17 C_GB1_22 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 188 + CB_GB1_17 N_GB1_22 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 181 + CB_GB1_17 CG_GB1_22 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 185 + CB_GB1_17 OD1_GB1_22 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 186 + CB_GB1_17 OD2_GB1_22 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 187 + CB_GB1_17 C_GB1_22 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 188 CB_GB1_17 O_GB1_22 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.928296e-03 0.004395 0.007862 True md_ensemble 7 144 189 - CB_GB1_17 N_GB1_23 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 190 - CB_GB1_17 C_GB1_23 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 194 + CB_GB1_17 N_GB1_23 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 190 + CB_GB1_17 C_GB1_23 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 194 CB_GB1_17 O_GB1_23 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 9.894476e-04 0.004395 0.007862 True md_ensemble 7 144 195 - CB_GB1_17 N_GB1_24 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 196 - CB_GB1_17 C_GB1_24 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 200 + CB_GB1_17 N_GB1_24 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 196 + CB_GB1_17 C_GB1_24 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 200 CB_GB1_17 O_GB1_24 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 8.741411e-04 0.004395 0.007862 True md_ensemble 7 144 201 - CB_GB1_17 N_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 202 - CB_GB1_17 OG1_GB1_25 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 206 - CB_GB1_17 C_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 208 + CB_GB1_17 N_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 202 + CB_GB1_17 OG1_GB1_25 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 206 + CB_GB1_17 C_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 208 CB_GB1_17 O_GB1_25 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 8.627504e-04 0.004395 0.007862 True md_ensemble 7 144 209 - CB_GB1_17 N_GB1_26 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 210 - CB_GB1_17 C_GB1_26 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 214 + CB_GB1_17 N_GB1_26 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 210 + CB_GB1_17 C_GB1_26 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 214 CB_GB1_17 O_GB1_26 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 9.681789e-04 0.004395 0.007862 True md_ensemble 7 144 215 - CB_GB1_17 N_GB1_27 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 216 - CB_GB1_17 CD_GB1_27 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 221 - CB_GB1_17 OE1_GB1_27 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 222 - CB_GB1_17 OE2_GB1_27 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 223 - CB_GB1_17 C_GB1_27 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 224 + CB_GB1_17 N_GB1_27 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 216 + CB_GB1_17 CD_GB1_27 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 221 + CB_GB1_17 OE1_GB1_27 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 222 + CB_GB1_17 OE2_GB1_27 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 223 + CB_GB1_17 C_GB1_27 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 224 CB_GB1_17 O_GB1_27 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.899536e-04 0.004395 0.007862 True md_ensemble 7 144 225 - CB_GB1_17 N_GB1_28 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 226 - CB_GB1_17 NZ_GB1_28 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 233 - CB_GB1_17 C_GB1_28 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 234 + CB_GB1_17 N_GB1_28 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 226 + CB_GB1_17 NZ_GB1_28 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 233 + CB_GB1_17 C_GB1_28 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 234 CB_GB1_17 O_GB1_28 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 4.999690e-04 0.004395 0.007862 True md_ensemble 7 144 235 - CB_GB1_17 N_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 236 - CB_GB1_17 C_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 242 + CB_GB1_17 N_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 236 + CB_GB1_17 C_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 242 CB_GB1_17 O_GB1_29 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 4.000846e-04 0.004395 0.007862 True md_ensemble 7 144 243 - CB_GB1_17 N_GB1_30 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 244 + CB_GB1_17 N_GB1_30 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 244 CB_GB1_17 CE1_GB1_30 1 1.432039e-02 2.015871e-04 ; 4.913805e-01 2.543240e-01 1.565314e-01 3.737141e-03 0.004395 0.010759 True md_ensemble 7 144 251 CB_GB1_17 CE2_GB1_30 1 1.432039e-02 2.015871e-04 ; 4.913805e-01 2.543240e-01 1.565314e-01 3.737141e-03 0.004395 0.010759 True md_ensemble 7 144 252 CB_GB1_17 CZ_GB1_30 1 1.533813e-02 1.891818e-04 ; 4.806746e-01 3.108890e-01 4.685591e-01 3.859179e-03 0.004395 0.010759 True md_ensemble 7 144 253 - CB_GB1_17 C_GB1_30 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 254 + CB_GB1_17 C_GB1_30 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 254 CB_GB1_17 O_GB1_30 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 5.034158e-04 0.004395 0.007862 True md_ensemble 7 144 255 - CB_GB1_17 N_GB1_31 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 256 - CB_GB1_17 NZ_GB1_31 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 263 - CB_GB1_17 C_GB1_31 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 264 + CB_GB1_17 N_GB1_31 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 256 + CB_GB1_17 NZ_GB1_31 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 263 + CB_GB1_17 C_GB1_31 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 264 CB_GB1_17 O_GB1_31 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.000085e-04 0.004395 0.007862 True md_ensemble 7 144 265 - CB_GB1_17 N_GB1_32 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 266 - CB_GB1_17 CD_GB1_32 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 271 + CB_GB1_17 N_GB1_32 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 266 + CB_GB1_17 CD_GB1_32 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 271 CB_GB1_17 OE1_GB1_32 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 7.466628e-04 0.004395 0.007862 True md_ensemble 7 144 272 - CB_GB1_17 NE2_GB1_32 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 273 - CB_GB1_17 C_GB1_32 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 274 + CB_GB1_17 NE2_GB1_32 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 273 + CB_GB1_17 C_GB1_32 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 274 CB_GB1_17 O_GB1_32 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.978391e-04 0.004395 0.007862 True md_ensemble 7 144 275 - CB_GB1_17 N_GB1_33 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 276 - CB_GB1_17 OH_GB1_33 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 286 - CB_GB1_17 C_GB1_33 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 287 + CB_GB1_17 N_GB1_33 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 276 + CB_GB1_17 OH_GB1_33 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 286 + CB_GB1_17 C_GB1_33 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 287 CB_GB1_17 O_GB1_33 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.000648e-04 0.004395 0.007862 True md_ensemble 7 144 288 - CB_GB1_17 N_GB1_34 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 289 - CB_GB1_17 C_GB1_34 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 293 + CB_GB1_17 N_GB1_34 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 289 + CB_GB1_17 C_GB1_34 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 293 CB_GB1_17 O_GB1_34 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.392881e-04 0.004395 0.007862 True md_ensemble 7 144 294 - CB_GB1_17 N_GB1_35 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 295 - CB_GB1_17 CG_GB1_35 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 299 + CB_GB1_17 N_GB1_35 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 295 + CB_GB1_17 CG_GB1_35 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 299 CB_GB1_17 OD1_GB1_35 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.050552e-04 0.004395 0.007862 True md_ensemble 7 144 300 - CB_GB1_17 ND2_GB1_35 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 301 - CB_GB1_17 C_GB1_35 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 302 + CB_GB1_17 ND2_GB1_35 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 301 + CB_GB1_17 C_GB1_35 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 302 CB_GB1_17 O_GB1_35 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 9.992644e-05 0.004395 0.007862 True md_ensemble 7 144 303 - CB_GB1_17 N_GB1_36 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 304 - CB_GB1_17 CG_GB1_36 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 308 - CB_GB1_17 OD1_GB1_36 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 309 - CB_GB1_17 OD2_GB1_36 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 310 - CB_GB1_17 C_GB1_36 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 311 + CB_GB1_17 N_GB1_36 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 304 + CB_GB1_17 CG_GB1_36 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 308 + CB_GB1_17 OD1_GB1_36 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 309 + CB_GB1_17 OD2_GB1_36 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 310 + CB_GB1_17 C_GB1_36 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 311 CB_GB1_17 O_GB1_36 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.999588e-04 0.004395 0.007862 True md_ensemble 7 144 312 - CB_GB1_17 N_GB1_37 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 313 - CB_GB1_17 CG_GB1_37 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 317 + CB_GB1_17 N_GB1_37 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 313 + CB_GB1_17 CG_GB1_37 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 317 CB_GB1_17 OD1_GB1_37 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.957913e-04 0.004395 0.007862 True md_ensemble 7 144 318 - CB_GB1_17 ND2_GB1_37 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 319 - CB_GB1_17 C_GB1_37 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 320 + CB_GB1_17 ND2_GB1_37 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 319 + CB_GB1_17 C_GB1_37 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 320 CB_GB1_17 O_GB1_37 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 4.816564e-04 0.004395 0.007862 True md_ensemble 7 144 321 - CB_GB1_17 N_GB1_38 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 322 - CB_GB1_17 C_GB1_38 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 325 + CB_GB1_17 N_GB1_38 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 322 + CB_GB1_17 C_GB1_38 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 325 CB_GB1_17 O_GB1_38 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.938250e-04 0.004395 0.007862 True md_ensemble 7 144 326 - CB_GB1_17 N_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 327 - CB_GB1_17 C_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 333 + CB_GB1_17 N_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 327 + CB_GB1_17 C_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 333 CB_GB1_17 O_GB1_39 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 144 334 - CB_GB1_17 N_GB1_40 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 335 - CB_GB1_17 CG_GB1_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 339 - CB_GB1_17 OD1_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 340 - CB_GB1_17 OD2_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 341 - CB_GB1_17 C_GB1_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 342 + CB_GB1_17 N_GB1_40 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 335 + CB_GB1_17 CG_GB1_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 339 + CB_GB1_17 OD1_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 340 + CB_GB1_17 OD2_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 341 + CB_GB1_17 C_GB1_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 342 CB_GB1_17 O_GB1_40 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 4.001142e-04 0.004395 0.007862 True md_ensemble 7 144 343 - CB_GB1_17 N_GB1_41 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 344 - CB_GB1_17 C_GB1_41 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 347 + CB_GB1_17 N_GB1_41 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 344 + CB_GB1_17 C_GB1_41 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 347 CB_GB1_17 O_GB1_41 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 7.468507e-04 0.004395 0.007862 True md_ensemble 7 144 348 - CB_GB1_17 N_GB1_42 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 349 - CB_GB1_17 CD_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 354 - CB_GB1_17 OE1_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 355 - CB_GB1_17 OE2_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 356 - CB_GB1_17 C_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 357 + CB_GB1_17 N_GB1_42 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 349 + CB_GB1_17 CD_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 354 + CB_GB1_17 OE1_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 355 + CB_GB1_17 OE2_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 356 + CB_GB1_17 C_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 357 CB_GB1_17 O_GB1_42 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.999022e-04 0.004395 0.007862 True md_ensemble 7 144 358 - CB_GB1_17 N_GB1_43 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 359 - CB_GB1_17 NE1_GB1_43 1 0.000000e+00 9.937288e-06 ; 8.853117e-06 -9.937288e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 366 - CB_GB1_17 C_GB1_43 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 372 + CB_GB1_17 N_GB1_43 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 359 + CB_GB1_17 NE1_GB1_43 1 0.000000e+00 9.937231e-06 ; 8.853066e-06 -9.937231e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 366 + CB_GB1_17 C_GB1_43 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 372 CB_GB1_17 O_GB1_43 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 9.717793e-05 0.004395 0.007862 True md_ensemble 7 144 373 - CB_GB1_17 N_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 374 - CB_GB1_17 OG1_GB1_44 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 378 - CB_GB1_17 C_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 380 + CB_GB1_17 N_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 374 + CB_GB1_17 OG1_GB1_44 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 378 + CB_GB1_17 C_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 380 CB_GB1_17 O_GB1_44 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.999077e-04 0.004395 0.007862 True md_ensemble 7 144 381 - CB_GB1_17 N_GB1_45 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 382 - CB_GB1_17 OH_GB1_45 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 392 - CB_GB1_17 C_GB1_45 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 393 + CB_GB1_17 N_GB1_45 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 382 + CB_GB1_17 OH_GB1_45 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 392 + CB_GB1_17 C_GB1_45 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 393 CB_GB1_17 O_GB1_45 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.983762e-04 0.004395 0.007862 True md_ensemble 7 144 394 - CB_GB1_17 N_GB1_46 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 395 - CB_GB1_17 CG_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 399 - CB_GB1_17 OD1_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 400 - CB_GB1_17 OD2_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 401 - CB_GB1_17 C_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 402 + CB_GB1_17 N_GB1_46 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 395 + CB_GB1_17 CG_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 399 + CB_GB1_17 OD1_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 400 + CB_GB1_17 OD2_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 401 + CB_GB1_17 C_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 402 CB_GB1_17 O_GB1_46 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 7.619736e-06 0.004395 0.007862 True md_ensemble 7 144 403 - CB_GB1_17 N_GB1_47 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 404 - CB_GB1_17 CG_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 408 - CB_GB1_17 OD1_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 409 - CB_GB1_17 OD2_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 410 - CB_GB1_17 C_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 411 + CB_GB1_17 N_GB1_47 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 404 + CB_GB1_17 CG_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 408 + CB_GB1_17 OD1_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 409 + CB_GB1_17 OD2_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 410 + CB_GB1_17 C_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 411 CB_GB1_17 O_GB1_47 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.802674e-04 0.004395 0.007862 True md_ensemble 7 144 412 - CB_GB1_17 N_GB1_48 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 413 - CB_GB1_17 C_GB1_48 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 417 + CB_GB1_17 N_GB1_48 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 413 + CB_GB1_17 C_GB1_48 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 417 CB_GB1_17 O_GB1_48 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 4.117745e-04 0.004395 0.007862 True md_ensemble 7 144 418 - CB_GB1_17 N_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 419 - CB_GB1_17 OG1_GB1_49 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 423 - CB_GB1_17 C_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 425 + CB_GB1_17 N_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 419 + CB_GB1_17 OG1_GB1_49 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 423 + CB_GB1_17 C_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 425 CB_GB1_17 O_GB1_49 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.000407e-04 0.004395 0.007862 True md_ensemble 7 144 426 - CB_GB1_17 N_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 427 - CB_GB1_17 NZ_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 434 - CB_GB1_17 C_GB1_50 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 435 + CB_GB1_17 N_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 427 + CB_GB1_17 NZ_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 434 + CB_GB1_17 C_GB1_50 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 435 CB_GB1_17 O_GB1_50 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.999948e-04 0.004395 0.007862 True md_ensemble 7 144 436 - CB_GB1_17 N_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 437 - CB_GB1_17 OG1_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 441 - CB_GB1_17 C_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 443 + CB_GB1_17 N_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 437 + CB_GB1_17 OG1_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 441 + CB_GB1_17 C_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 443 CB_GB1_17 O_GB1_51 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.000505e-04 0.004395 0.007862 True md_ensemble 7 144 444 - CB_GB1_17 N_GB1_52 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 445 - CB_GB1_17 C_GB1_52 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 455 + CB_GB1_17 N_GB1_52 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 445 + CB_GB1_17 C_GB1_52 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 455 CB_GB1_17 O_GB1_52 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 9.994997e-05 0.004395 0.007862 True md_ensemble 7 144 456 - CB_GB1_17 N_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 457 - CB_GB1_17 OG1_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 461 - CB_GB1_17 C_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 463 + CB_GB1_17 N_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 457 + CB_GB1_17 OG1_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 461 + CB_GB1_17 C_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 463 CB_GB1_17 O_GB1_53 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.000576e-04 0.004395 0.007862 True md_ensemble 7 144 464 - CB_GB1_17 N_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 465 - CB_GB1_17 C_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 471 + CB_GB1_17 N_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 465 + CB_GB1_17 C_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 471 CB_GB1_17 O_GB1_54 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.000311e-04 0.004395 0.007862 True md_ensemble 7 144 472 - CB_GB1_17 N_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 473 - CB_GB1_17 OG1_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 477 - CB_GB1_17 C_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 479 + CB_GB1_17 N_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 473 + CB_GB1_17 OG1_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 477 + CB_GB1_17 C_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 479 CB_GB1_17 O_GB1_55 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.658359e-04 0.004395 0.007862 True md_ensemble 7 144 480 - CB_GB1_17 N_GB1_56 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 481 - CB_GB1_17 CD_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 486 - CB_GB1_17 OE1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 487 - CB_GB1_17 OE2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 488 - CB_GB1_17 C_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 489 - CB_GB1_17 O1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 490 - CB_GB1_17 O2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 491 -OG1_GB1_17 CG2_GB1_17 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 146 -OG1_GB1_17 O_GB1_17 1 0.000000e+00 2.825587e-07 ; 2.535639e-01 -2.825587e-07 9.395722e-01 7.171009e-01 0.004395 0.001132 True md_ensemble 4 145 148 -OG1_GB1_17 N_GB1_18 1 0.000000e+00 5.149535e-07 ; 2.665686e-01 -5.149535e-07 9.330092e-01 7.099843e-01 0.004395 0.001132 True md_ensemble 4 145 149 -OG1_GB1_17 H_GB1_18 1 0.000000e+00 2.383128e-08 ; 2.063434e-01 -2.383128e-08 4.939101e-02 1.615997e-01 0.004395 0.001132 True md_ensemble 5 145 150 -OG1_GB1_17 CA_GB1_18 1 0.000000e+00 3.806864e-06 ; 3.149263e-01 -3.806864e-06 8.983954e-01 5.621049e-01 0.004395 0.001132 True md_ensemble 5 145 151 -OG1_GB1_17 CB_GB1_18 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 152 -OG1_GB1_17 CG2_GB1_18 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 154 -OG1_GB1_17 C_GB1_18 1 0.000000e+00 1.185561e-06 ; 2.857516e-01 -1.185561e-06 2.862723e-02 6.680726e-02 0.004395 0.001132 True md_ensemble 6 145 155 + CB_GB1_17 N_GB1_56 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 481 + CB_GB1_17 CD_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 486 + CB_GB1_17 OE1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 487 + CB_GB1_17 OE2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 488 + CB_GB1_17 C_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 489 + CB_GB1_17 O1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 490 + CB_GB1_17 O2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 144 491 +OG1_GB1_17 CG2_GB1_17 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 146 +OG1_GB1_17 O_GB1_17 1 0.000000e+00 2.825579e-07 ; 2.535638e-01 -2.825579e-07 9.395722e-01 7.171009e-01 0.004395 0.001132 True md_ensemble 4 145 148 +OG1_GB1_17 N_GB1_18 1 0.000000e+00 5.149472e-07 ; 2.665683e-01 -5.149472e-07 9.330092e-01 7.099843e-01 0.004395 0.001132 True md_ensemble 4 145 149 +OG1_GB1_17 H_GB1_18 1 0.000000e+00 2.383138e-08 ; 2.063435e-01 -2.383138e-08 4.939101e-02 1.615997e-01 0.004395 0.001132 True md_ensemble 5 145 150 +OG1_GB1_17 CA_GB1_18 1 0.000000e+00 3.806851e-06 ; 3.149262e-01 -3.806851e-06 8.983954e-01 5.621049e-01 0.004395 0.001132 True md_ensemble 5 145 151 +OG1_GB1_17 CB_GB1_18 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 152 +OG1_GB1_17 CG2_GB1_18 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 154 +OG1_GB1_17 C_GB1_18 1 0.000000e+00 1.185542e-06 ; 2.857512e-01 -1.185542e-06 2.862723e-02 6.680726e-02 0.004395 0.001132 True md_ensemble 6 145 155 OG1_GB1_17 O_GB1_18 1 4.146098e-04 6.067277e-07 ; 3.369450e-01 7.083131e-02 1.426709e-02 3.700276e-02 0.004395 0.011584 True md_ensemble 7 145 156 OG1_GB1_17 H_GB1_19 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 158 -OG1_GB1_17 CB_GB1_19 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 160 -OG1_GB1_17 CG_GB1_19 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 161 +OG1_GB1_17 CB_GB1_19 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 160 +OG1_GB1_17 CG_GB1_19 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 161 OG1_GB1_17 H_GB1_20 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 168 -OG1_GB1_17 CB_GB1_20 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 170 +OG1_GB1_17 CB_GB1_20 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 170 OG1_GB1_17 H_GB1_21 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 174 -OG1_GB1_17 CB_GB1_21 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 176 -OG1_GB1_17 CG1_GB1_21 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 177 -OG1_GB1_17 CG2_GB1_21 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 178 +OG1_GB1_17 CB_GB1_21 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 176 +OG1_GB1_17 CG1_GB1_21 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 177 +OG1_GB1_17 CG2_GB1_21 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 178 OG1_GB1_17 H_GB1_22 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 182 -OG1_GB1_17 CB_GB1_22 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 184 +OG1_GB1_17 CB_GB1_22 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 184 OG1_GB1_17 H_GB1_23 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 191 -OG1_GB1_17 CB_GB1_23 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 193 +OG1_GB1_17 CB_GB1_23 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 193 OG1_GB1_17 H_GB1_24 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 197 -OG1_GB1_17 CB_GB1_24 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 199 +OG1_GB1_17 CB_GB1_24 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 199 OG1_GB1_17 H_GB1_25 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 203 -OG1_GB1_17 CB_GB1_25 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 205 -OG1_GB1_17 CG2_GB1_25 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 207 +OG1_GB1_17 CB_GB1_25 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 205 +OG1_GB1_17 CG2_GB1_25 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 207 OG1_GB1_17 H_GB1_26 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 211 -OG1_GB1_17 CB_GB1_26 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 213 +OG1_GB1_17 CB_GB1_26 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 213 OG1_GB1_17 H_GB1_27 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 217 -OG1_GB1_17 CB_GB1_27 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 219 -OG1_GB1_17 CG_GB1_27 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 220 +OG1_GB1_17 CB_GB1_27 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 219 +OG1_GB1_17 CG_GB1_27 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 220 OG1_GB1_17 H_GB1_28 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 227 -OG1_GB1_17 CB_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 229 -OG1_GB1_17 CG_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 230 -OG1_GB1_17 CD_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 231 -OG1_GB1_17 CE_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 232 +OG1_GB1_17 CB_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 229 +OG1_GB1_17 CG_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 230 +OG1_GB1_17 CD_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 231 +OG1_GB1_17 CE_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 232 OG1_GB1_17 H_GB1_29 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 237 -OG1_GB1_17 CB_GB1_29 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 239 -OG1_GB1_17 CG1_GB1_29 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 240 -OG1_GB1_17 CG2_GB1_29 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 241 +OG1_GB1_17 CB_GB1_29 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 239 +OG1_GB1_17 CG1_GB1_29 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 240 +OG1_GB1_17 CG2_GB1_29 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 241 OG1_GB1_17 H_GB1_30 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 245 -OG1_GB1_17 CB_GB1_30 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 247 +OG1_GB1_17 CB_GB1_30 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 247 OG1_GB1_17 H_GB1_31 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 257 -OG1_GB1_17 CB_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 259 -OG1_GB1_17 CG_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 260 -OG1_GB1_17 CD_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 261 -OG1_GB1_17 CE_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 262 +OG1_GB1_17 CB_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 259 +OG1_GB1_17 CG_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 260 +OG1_GB1_17 CD_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 261 +OG1_GB1_17 CE_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 262 OG1_GB1_17 H_GB1_32 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 267 -OG1_GB1_17 CB_GB1_32 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 269 -OG1_GB1_17 CG_GB1_32 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 270 +OG1_GB1_17 CB_GB1_32 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 269 +OG1_GB1_17 CG_GB1_32 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 270 OG1_GB1_17 H_GB1_33 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 277 -OG1_GB1_17 CB_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 279 +OG1_GB1_17 CB_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 279 OG1_GB1_17 H_GB1_34 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 290 -OG1_GB1_17 CB_GB1_34 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 292 +OG1_GB1_17 CB_GB1_34 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 292 OG1_GB1_17 H_GB1_35 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 296 -OG1_GB1_17 CB_GB1_35 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 298 +OG1_GB1_17 CB_GB1_35 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 298 OG1_GB1_17 H_GB1_36 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 305 -OG1_GB1_17 CB_GB1_36 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 307 +OG1_GB1_17 CB_GB1_36 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 307 OG1_GB1_17 H_GB1_37 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 314 -OG1_GB1_17 CB_GB1_37 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 316 +OG1_GB1_17 CB_GB1_37 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 316 OG1_GB1_17 H_GB1_38 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 323 -OG1_GB1_17 CA_GB1_38 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 324 +OG1_GB1_17 CA_GB1_38 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 324 OG1_GB1_17 H_GB1_39 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 328 -OG1_GB1_17 CB_GB1_39 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 330 -OG1_GB1_17 CG1_GB1_39 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 331 -OG1_GB1_17 CG2_GB1_39 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 332 +OG1_GB1_17 CB_GB1_39 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 330 +OG1_GB1_17 CG1_GB1_39 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 331 +OG1_GB1_17 CG2_GB1_39 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 332 OG1_GB1_17 H_GB1_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 336 -OG1_GB1_17 CB_GB1_40 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 338 +OG1_GB1_17 CB_GB1_40 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 338 OG1_GB1_17 H_GB1_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 345 -OG1_GB1_17 CA_GB1_41 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 346 +OG1_GB1_17 CA_GB1_41 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 346 OG1_GB1_17 H_GB1_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 350 -OG1_GB1_17 CB_GB1_42 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 352 -OG1_GB1_17 CG_GB1_42 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 353 +OG1_GB1_17 CB_GB1_42 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 352 +OG1_GB1_17 CG_GB1_42 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 353 OG1_GB1_17 H_GB1_43 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 360 -OG1_GB1_17 CB_GB1_43 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 362 +OG1_GB1_17 CB_GB1_43 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 362 OG1_GB1_17 H_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 375 -OG1_GB1_17 CB_GB1_44 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 377 -OG1_GB1_17 CG2_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 379 +OG1_GB1_17 CB_GB1_44 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 377 +OG1_GB1_17 CG2_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 379 OG1_GB1_17 H_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 383 -OG1_GB1_17 CB_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 385 +OG1_GB1_17 CB_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 385 OG1_GB1_17 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 396 -OG1_GB1_17 CB_GB1_46 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 398 +OG1_GB1_17 CB_GB1_46 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 398 OG1_GB1_17 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 405 -OG1_GB1_17 CB_GB1_47 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 407 +OG1_GB1_17 CB_GB1_47 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 407 OG1_GB1_17 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 414 -OG1_GB1_17 CB_GB1_48 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 416 +OG1_GB1_17 CB_GB1_48 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 416 OG1_GB1_17 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 420 -OG1_GB1_17 CB_GB1_49 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 422 -OG1_GB1_17 CG2_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 424 +OG1_GB1_17 CB_GB1_49 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 422 +OG1_GB1_17 CG2_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 424 OG1_GB1_17 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 428 -OG1_GB1_17 CB_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 430 -OG1_GB1_17 CG_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 431 -OG1_GB1_17 CD_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 432 -OG1_GB1_17 CE_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 433 +OG1_GB1_17 CB_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 430 +OG1_GB1_17 CG_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 431 +OG1_GB1_17 CD_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 432 +OG1_GB1_17 CE_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 433 OG1_GB1_17 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 438 -OG1_GB1_17 CB_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 440 -OG1_GB1_17 CG2_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 442 +OG1_GB1_17 CB_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 440 +OG1_GB1_17 CG2_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 442 OG1_GB1_17 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 446 -OG1_GB1_17 CB_GB1_52 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 448 +OG1_GB1_17 CB_GB1_52 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 448 OG1_GB1_17 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 458 -OG1_GB1_17 CB_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 460 -OG1_GB1_17 CG2_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 462 +OG1_GB1_17 CB_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 460 +OG1_GB1_17 CG2_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 462 OG1_GB1_17 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 466 -OG1_GB1_17 CB_GB1_54 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 468 -OG1_GB1_17 CG1_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 469 -OG1_GB1_17 CG2_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 470 +OG1_GB1_17 CB_GB1_54 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 468 +OG1_GB1_17 CG1_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 469 +OG1_GB1_17 CG2_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 470 OG1_GB1_17 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 474 -OG1_GB1_17 CB_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 476 -OG1_GB1_17 CG2_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 478 +OG1_GB1_17 CB_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 476 +OG1_GB1_17 CG2_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 478 OG1_GB1_17 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 482 -OG1_GB1_17 CB_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 484 -OG1_GB1_17 CG_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 485 -CG2_GB1_17 C_GB1_17 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 147 +OG1_GB1_17 CB_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 484 +OG1_GB1_17 CG_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 145 485 +CG2_GB1_17 C_GB1_17 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 147 CG2_GB1_17 O_GB1_17 1 0.000000e+00 1.693561e-06 ; 2.943710e-01 -1.693561e-06 7.750454e-01 9.010898e-01 0.004395 0.001132 True md_ensemble 4 146 148 -CG2_GB1_17 N_GB1_18 1 0.000000e+00 2.601045e-06 ; 3.050872e-01 -2.601045e-06 9.999999e-01 9.482737e-01 0.004395 0.001132 True md_ensemble 4 146 149 -CG2_GB1_17 CA_GB1_18 1 0.000000e+00 1.567288e-05 ; 3.543432e-01 -1.567288e-05 9.484234e-01 6.086703e-01 0.004395 0.001132 True md_ensemble 5 146 151 -CG2_GB1_17 CB_GB1_18 1 0.000000e+00 2.734320e-05 ; 3.711639e-01 -2.734320e-05 7.574837e-02 2.276273e-01 0.004395 0.001132 True md_ensemble 6 146 152 -CG2_GB1_17 OG1_GB1_18 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 153 -CG2_GB1_17 C_GB1_18 1 0.000000e+00 5.119011e-06 ; 3.227953e-01 -5.119011e-06 7.272687e-02 1.558597e-01 0.004395 0.001132 True md_ensemble 6 146 155 +CG2_GB1_17 N_GB1_18 1 0.000000e+00 2.601020e-06 ; 3.050870e-01 -2.601020e-06 9.999999e-01 9.482737e-01 0.004395 0.001132 True md_ensemble 4 146 149 +CG2_GB1_17 CA_GB1_18 1 0.000000e+00 1.567287e-05 ; 3.543432e-01 -1.567287e-05 9.484234e-01 6.086703e-01 0.004395 0.001132 True md_ensemble 5 146 151 +CG2_GB1_17 CB_GB1_18 1 0.000000e+00 2.734319e-05 ; 3.711639e-01 -2.734319e-05 7.574837e-02 2.276273e-01 0.004395 0.001132 True md_ensemble 6 146 152 +CG2_GB1_17 OG1_GB1_18 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 153 +CG2_GB1_17 C_GB1_18 1 0.000000e+00 5.118944e-06 ; 3.227949e-01 -5.118944e-06 7.272687e-02 1.558597e-01 0.004395 0.001132 True md_ensemble 6 146 155 CG2_GB1_17 O_GB1_18 1 7.179430e-04 1.529907e-06 ; 3.587257e-01 8.422769e-02 5.055715e-02 6.863623e-02 0.004395 0.007862 True md_ensemble 7 146 156 -CG2_GB1_17 N_GB1_19 1 0.000000e+00 3.008397e-06 ; 3.088087e-01 -3.008397e-06 4.633447e-03 1.014172e-01 0.004395 0.001132 True md_ensemble 7 146 157 -CG2_GB1_17 CA_GB1_19 1 0.000000e+00 2.667056e-05 ; 3.703943e-01 -2.667056e-05 8.898082e-03 1.324408e-01 0.004395 0.010759 True md_ensemble 7 146 159 -CG2_GB1_17 CD_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 162 +CG2_GB1_17 N_GB1_19 1 0.000000e+00 3.008368e-06 ; 3.088085e-01 -3.008368e-06 4.633447e-03 1.014172e-01 0.004395 0.001132 True md_ensemble 7 146 157 +CG2_GB1_17 CA_GB1_19 1 0.000000e+00 2.667054e-05 ; 3.703943e-01 -2.667054e-05 8.898082e-03 1.324408e-01 0.004395 0.010759 True md_ensemble 7 146 159 +CG2_GB1_17 CD_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 162 CG2_GB1_17 OE1_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 163 CG2_GB1_17 OE2_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 164 -CG2_GB1_17 C_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 165 +CG2_GB1_17 C_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 165 CG2_GB1_17 O_GB1_19 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 166 -CG2_GB1_17 N_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 167 -CG2_GB1_17 C_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 171 +CG2_GB1_17 N_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 167 +CG2_GB1_17 C_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 171 CG2_GB1_17 O_GB1_20 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 172 -CG2_GB1_17 N_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 173 -CG2_GB1_17 C_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 179 +CG2_GB1_17 N_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 173 +CG2_GB1_17 C_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 179 CG2_GB1_17 O_GB1_21 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 180 -CG2_GB1_17 N_GB1_22 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 181 -CG2_GB1_17 CG_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 185 +CG2_GB1_17 N_GB1_22 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 181 +CG2_GB1_17 CG_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 185 CG2_GB1_17 OD1_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 186 CG2_GB1_17 OD2_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 187 -CG2_GB1_17 C_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 188 +CG2_GB1_17 C_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 188 CG2_GB1_17 O_GB1_22 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 189 -CG2_GB1_17 N_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 190 -CG2_GB1_17 C_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 194 +CG2_GB1_17 N_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 190 +CG2_GB1_17 C_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 194 CG2_GB1_17 O_GB1_23 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 195 -CG2_GB1_17 N_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 196 -CG2_GB1_17 C_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 200 +CG2_GB1_17 N_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 196 +CG2_GB1_17 C_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 200 CG2_GB1_17 O_GB1_24 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 201 -CG2_GB1_17 N_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 202 -CG2_GB1_17 OG1_GB1_25 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 206 -CG2_GB1_17 C_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 208 +CG2_GB1_17 N_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 202 +CG2_GB1_17 OG1_GB1_25 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 206 +CG2_GB1_17 C_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 208 CG2_GB1_17 O_GB1_25 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 209 -CG2_GB1_17 N_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 210 -CG2_GB1_17 C_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 214 +CG2_GB1_17 N_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 210 +CG2_GB1_17 C_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 214 CG2_GB1_17 O_GB1_26 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 215 -CG2_GB1_17 N_GB1_27 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 216 -CG2_GB1_17 CD_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 221 +CG2_GB1_17 N_GB1_27 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 216 +CG2_GB1_17 CD_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 221 CG2_GB1_17 OE1_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 222 CG2_GB1_17 OE2_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 223 -CG2_GB1_17 C_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 224 +CG2_GB1_17 C_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 224 CG2_GB1_17 O_GB1_27 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 225 -CG2_GB1_17 N_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 226 -CG2_GB1_17 NZ_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 233 -CG2_GB1_17 C_GB1_28 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 234 +CG2_GB1_17 N_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 226 +CG2_GB1_17 NZ_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 233 +CG2_GB1_17 C_GB1_28 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 234 CG2_GB1_17 O_GB1_28 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 235 -CG2_GB1_17 N_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 236 -CG2_GB1_17 C_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 242 +CG2_GB1_17 N_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 236 +CG2_GB1_17 C_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 242 CG2_GB1_17 O_GB1_29 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 243 -CG2_GB1_17 N_GB1_30 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 244 -CG2_GB1_17 C_GB1_30 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 254 +CG2_GB1_17 N_GB1_30 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 244 +CG2_GB1_17 C_GB1_30 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 254 CG2_GB1_17 O_GB1_30 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 255 -CG2_GB1_17 N_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 256 -CG2_GB1_17 NZ_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 263 -CG2_GB1_17 C_GB1_31 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 264 +CG2_GB1_17 N_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 256 +CG2_GB1_17 NZ_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 263 +CG2_GB1_17 C_GB1_31 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 264 CG2_GB1_17 O_GB1_31 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 265 -CG2_GB1_17 N_GB1_32 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 266 -CG2_GB1_17 CD_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 271 +CG2_GB1_17 N_GB1_32 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 266 +CG2_GB1_17 CD_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 271 CG2_GB1_17 OE1_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 272 -CG2_GB1_17 NE2_GB1_32 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 273 -CG2_GB1_17 C_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 274 +CG2_GB1_17 NE2_GB1_32 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 273 +CG2_GB1_17 C_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 274 CG2_GB1_17 O_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 275 -CG2_GB1_17 N_GB1_33 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 276 -CG2_GB1_17 OH_GB1_33 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 286 -CG2_GB1_17 C_GB1_33 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 287 +CG2_GB1_17 N_GB1_33 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 276 +CG2_GB1_17 OH_GB1_33 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 286 +CG2_GB1_17 C_GB1_33 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 287 CG2_GB1_17 O_GB1_33 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 288 -CG2_GB1_17 N_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 289 -CG2_GB1_17 C_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 293 +CG2_GB1_17 N_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 289 +CG2_GB1_17 C_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 293 CG2_GB1_17 O_GB1_34 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 294 -CG2_GB1_17 N_GB1_35 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 295 -CG2_GB1_17 CG_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 299 +CG2_GB1_17 N_GB1_35 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 295 +CG2_GB1_17 CG_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 299 CG2_GB1_17 OD1_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 300 -CG2_GB1_17 ND2_GB1_35 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 301 -CG2_GB1_17 C_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 302 +CG2_GB1_17 ND2_GB1_35 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 301 +CG2_GB1_17 C_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 302 CG2_GB1_17 O_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 303 -CG2_GB1_17 N_GB1_36 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 304 -CG2_GB1_17 CG_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 308 +CG2_GB1_17 N_GB1_36 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 304 +CG2_GB1_17 CG_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 308 CG2_GB1_17 OD1_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 309 CG2_GB1_17 OD2_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 310 -CG2_GB1_17 C_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 311 +CG2_GB1_17 C_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 311 CG2_GB1_17 O_GB1_36 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 312 -CG2_GB1_17 N_GB1_37 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 313 -CG2_GB1_17 CG_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 317 +CG2_GB1_17 N_GB1_37 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 313 +CG2_GB1_17 CG_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 317 CG2_GB1_17 OD1_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 318 -CG2_GB1_17 ND2_GB1_37 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 319 -CG2_GB1_17 C_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 320 +CG2_GB1_17 ND2_GB1_37 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 319 +CG2_GB1_17 C_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 320 CG2_GB1_17 O_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 321 -CG2_GB1_17 N_GB1_38 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 322 -CG2_GB1_17 C_GB1_38 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 325 +CG2_GB1_17 N_GB1_38 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 322 +CG2_GB1_17 C_GB1_38 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 325 CG2_GB1_17 O_GB1_38 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 326 -CG2_GB1_17 N_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 327 -CG2_GB1_17 C_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 333 +CG2_GB1_17 N_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 327 +CG2_GB1_17 C_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 333 CG2_GB1_17 O_GB1_39 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 334 -CG2_GB1_17 N_GB1_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 335 -CG2_GB1_17 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 339 +CG2_GB1_17 N_GB1_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 335 +CG2_GB1_17 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 339 CG2_GB1_17 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 340 CG2_GB1_17 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 341 -CG2_GB1_17 C_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 342 +CG2_GB1_17 C_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 342 CG2_GB1_17 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 343 -CG2_GB1_17 N_GB1_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 344 -CG2_GB1_17 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 347 +CG2_GB1_17 N_GB1_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 344 +CG2_GB1_17 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 347 CG2_GB1_17 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 348 -CG2_GB1_17 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 349 -CG2_GB1_17 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 354 +CG2_GB1_17 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 349 +CG2_GB1_17 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 354 CG2_GB1_17 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 355 CG2_GB1_17 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 356 -CG2_GB1_17 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 357 +CG2_GB1_17 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 357 CG2_GB1_17 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 358 -CG2_GB1_17 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 359 -CG2_GB1_17 NE1_GB1_43 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 366 -CG2_GB1_17 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 372 +CG2_GB1_17 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 359 +CG2_GB1_17 NE1_GB1_43 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 366 +CG2_GB1_17 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 372 CG2_GB1_17 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 373 -CG2_GB1_17 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 374 -CG2_GB1_17 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 378 -CG2_GB1_17 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 380 +CG2_GB1_17 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 374 +CG2_GB1_17 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 378 +CG2_GB1_17 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 380 CG2_GB1_17 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 381 -CG2_GB1_17 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 382 -CG2_GB1_17 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 392 -CG2_GB1_17 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 393 +CG2_GB1_17 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 382 +CG2_GB1_17 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 392 +CG2_GB1_17 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 393 CG2_GB1_17 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 394 -CG2_GB1_17 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 395 -CG2_GB1_17 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 399 +CG2_GB1_17 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 395 +CG2_GB1_17 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 399 CG2_GB1_17 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 400 CG2_GB1_17 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 401 -CG2_GB1_17 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 402 +CG2_GB1_17 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 402 CG2_GB1_17 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 403 -CG2_GB1_17 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 404 -CG2_GB1_17 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 408 +CG2_GB1_17 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 404 +CG2_GB1_17 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 408 CG2_GB1_17 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 409 CG2_GB1_17 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 410 -CG2_GB1_17 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 411 +CG2_GB1_17 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 411 CG2_GB1_17 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 412 -CG2_GB1_17 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 413 -CG2_GB1_17 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 417 +CG2_GB1_17 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 413 +CG2_GB1_17 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 417 CG2_GB1_17 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 418 -CG2_GB1_17 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 419 -CG2_GB1_17 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 423 -CG2_GB1_17 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 425 +CG2_GB1_17 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 419 +CG2_GB1_17 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 423 +CG2_GB1_17 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 425 CG2_GB1_17 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 426 -CG2_GB1_17 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 427 -CG2_GB1_17 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 434 -CG2_GB1_17 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 435 +CG2_GB1_17 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 427 +CG2_GB1_17 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 434 +CG2_GB1_17 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 435 CG2_GB1_17 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 436 -CG2_GB1_17 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 437 -CG2_GB1_17 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 441 -CG2_GB1_17 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 443 +CG2_GB1_17 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 437 +CG2_GB1_17 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 441 +CG2_GB1_17 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 443 CG2_GB1_17 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 444 -CG2_GB1_17 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 445 -CG2_GB1_17 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 455 +CG2_GB1_17 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 445 +CG2_GB1_17 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 455 CG2_GB1_17 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 456 -CG2_GB1_17 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 457 -CG2_GB1_17 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 461 -CG2_GB1_17 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 463 +CG2_GB1_17 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 457 +CG2_GB1_17 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 461 +CG2_GB1_17 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 463 CG2_GB1_17 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 464 -CG2_GB1_17 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 465 -CG2_GB1_17 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 471 +CG2_GB1_17 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 465 +CG2_GB1_17 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 471 CG2_GB1_17 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 472 -CG2_GB1_17 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 473 -CG2_GB1_17 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 477 -CG2_GB1_17 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 479 +CG2_GB1_17 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 473 +CG2_GB1_17 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 477 +CG2_GB1_17 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 479 CG2_GB1_17 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 480 -CG2_GB1_17 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 481 -CG2_GB1_17 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 486 +CG2_GB1_17 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 481 +CG2_GB1_17 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 486 CG2_GB1_17 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 487 CG2_GB1_17 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 488 -CG2_GB1_17 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 489 +CG2_GB1_17 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 489 CG2_GB1_17 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 490 CG2_GB1_17 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 146 491 - C_GB1_17 CB_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 152 - C_GB1_17 OG1_GB1_18 1 0.000000e+00 1.080985e-06 ; 2.835611e-01 -1.080985e-06 9.257377e-01 8.723424e-01 0.004395 0.001132 True md_ensemble 4 147 153 - C_GB1_17 CG2_GB1_18 1 0.000000e+00 4.690904e-06 ; 3.204545e-01 -4.690904e-06 9.999968e-01 9.925464e-01 0.004395 0.001132 True md_ensemble 4 147 154 - C_GB1_17 O_GB1_18 1 0.000000e+00 7.022317e-07 ; 2.735489e-01 -7.022317e-07 9.994506e-01 8.486407e-01 0.004395 0.001132 True md_ensemble 4 147 156 - C_GB1_17 N_GB1_19 1 0.000000e+00 1.836287e-06 ; 2.963626e-01 -1.836287e-06 7.473090e-01 9.648857e-01 0.004395 0.001132 True md_ensemble 4 147 157 - C_GB1_17 CA_GB1_19 1 0.000000e+00 2.365016e-05 ; 3.667030e-01 -2.365016e-05 2.613400e-02 8.381479e-01 0.004395 0.001132 True md_ensemble 5 147 159 - C_GB1_17 CB_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 160 - C_GB1_17 CG_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 161 + C_GB1_17 CB_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 152 + C_GB1_17 OG1_GB1_18 1 0.000000e+00 1.080968e-06 ; 2.835607e-01 -1.080968e-06 9.257377e-01 8.723424e-01 0.004395 0.001132 True md_ensemble 4 147 153 + C_GB1_17 CG2_GB1_18 1 0.000000e+00 4.690843e-06 ; 3.204542e-01 -4.690843e-06 9.999968e-01 9.925464e-01 0.004395 0.001132 True md_ensemble 4 147 154 + C_GB1_17 O_GB1_18 1 0.000000e+00 7.022284e-07 ; 2.735488e-01 -7.022284e-07 9.994506e-01 8.486407e-01 0.004395 0.001132 True md_ensemble 4 147 156 + C_GB1_17 N_GB1_19 1 0.000000e+00 1.836261e-06 ; 2.963622e-01 -1.836261e-06 7.473090e-01 9.648857e-01 0.004395 0.001132 True md_ensemble 4 147 157 + C_GB1_17 CA_GB1_19 1 0.000000e+00 2.365004e-05 ; 3.667029e-01 -2.365004e-05 2.613400e-02 8.381479e-01 0.004395 0.001132 True md_ensemble 5 147 159 + C_GB1_17 CB_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 160 + C_GB1_17 CG_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 161 C_GB1_17 C_GB1_19 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 0.000000e+00 1.475060e-01 0.004395 0.001132 True md_ensemble 6 147 165 - C_GB1_17 CB_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 170 - C_GB1_17 CB_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 176 - C_GB1_17 CG1_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 177 - C_GB1_17 CG2_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 178 - C_GB1_17 CB_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 184 - C_GB1_17 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 193 - C_GB1_17 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 199 - C_GB1_17 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 205 - C_GB1_17 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 207 - C_GB1_17 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 213 - C_GB1_17 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 219 - C_GB1_17 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 220 - C_GB1_17 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 229 - C_GB1_17 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 230 - C_GB1_17 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 231 - C_GB1_17 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 232 - C_GB1_17 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 239 - C_GB1_17 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 240 - C_GB1_17 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 241 - C_GB1_17 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 247 + C_GB1_17 CB_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 170 + C_GB1_17 CB_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 176 + C_GB1_17 CG1_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 177 + C_GB1_17 CG2_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 178 + C_GB1_17 CB_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 184 + C_GB1_17 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 193 + C_GB1_17 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 199 + C_GB1_17 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 205 + C_GB1_17 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 207 + C_GB1_17 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 213 + C_GB1_17 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 219 + C_GB1_17 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 220 + C_GB1_17 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 229 + C_GB1_17 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 230 + C_GB1_17 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 231 + C_GB1_17 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 232 + C_GB1_17 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 239 + C_GB1_17 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 240 + C_GB1_17 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 241 + C_GB1_17 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 247 C_GB1_17 CD1_GB1_30 1 5.247482e-03 3.422248e-05 ; 4.322418e-01 2.011548e-01 5.585026e-02 1.494748e-04 0.004395 0.015243 True md_ensemble 7 147 249 C_GB1_17 CD2_GB1_30 1 5.247482e-03 3.422248e-05 ; 4.322418e-01 2.011548e-01 5.585026e-02 1.494748e-04 0.004395 0.015243 True md_ensemble 7 147 250 C_GB1_17 CE1_GB1_30 1 2.470976e-03 4.393112e-06 ; 3.480572e-01 3.474600e-01 9.519588e-01 5.172067e-04 0.004395 0.015243 True md_ensemble 7 147 251 C_GB1_17 CE2_GB1_30 1 2.470976e-03 4.393112e-06 ; 3.480572e-01 3.474600e-01 9.519588e-01 5.172067e-04 0.004395 0.015243 True md_ensemble 7 147 252 C_GB1_17 CZ_GB1_30 1 2.557809e-03 4.713958e-06 ; 3.501490e-01 3.469689e-01 9.429411e-01 8.601044e-04 0.004395 0.015243 True md_ensemble 7 147 253 - C_GB1_17 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 259 - C_GB1_17 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 260 - C_GB1_17 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 261 - C_GB1_17 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 262 - C_GB1_17 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 269 - C_GB1_17 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 270 - C_GB1_17 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 279 - C_GB1_17 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 292 - C_GB1_17 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 298 - C_GB1_17 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 307 - C_GB1_17 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 316 - C_GB1_17 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 324 - C_GB1_17 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 330 - C_GB1_17 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 331 - C_GB1_17 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 332 - C_GB1_17 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 338 - C_GB1_17 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 346 - C_GB1_17 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 352 - C_GB1_17 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 353 - C_GB1_17 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 362 - C_GB1_17 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 377 - C_GB1_17 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 379 - C_GB1_17 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 385 - C_GB1_17 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 398 - C_GB1_17 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 407 - C_GB1_17 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 416 - C_GB1_17 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 422 - C_GB1_17 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 424 - C_GB1_17 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 430 - C_GB1_17 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 431 - C_GB1_17 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 432 - C_GB1_17 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 433 - C_GB1_17 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 440 - C_GB1_17 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 442 - C_GB1_17 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 448 - C_GB1_17 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 460 - C_GB1_17 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 462 - C_GB1_17 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 468 - C_GB1_17 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 469 - C_GB1_17 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 470 - C_GB1_17 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 476 - C_GB1_17 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 478 - C_GB1_17 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 484 - C_GB1_17 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 485 + C_GB1_17 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 259 + C_GB1_17 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 260 + C_GB1_17 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 261 + C_GB1_17 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 262 + C_GB1_17 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 269 + C_GB1_17 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 270 + C_GB1_17 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 279 + C_GB1_17 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 292 + C_GB1_17 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 298 + C_GB1_17 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 307 + C_GB1_17 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 316 + C_GB1_17 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 324 + C_GB1_17 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 330 + C_GB1_17 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 331 + C_GB1_17 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 332 + C_GB1_17 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 338 + C_GB1_17 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 346 + C_GB1_17 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 352 + C_GB1_17 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 353 + C_GB1_17 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 362 + C_GB1_17 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 377 + C_GB1_17 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 379 + C_GB1_17 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 385 + C_GB1_17 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 398 + C_GB1_17 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 407 + C_GB1_17 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 416 + C_GB1_17 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 422 + C_GB1_17 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 424 + C_GB1_17 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 430 + C_GB1_17 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 431 + C_GB1_17 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 432 + C_GB1_17 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 433 + C_GB1_17 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 440 + C_GB1_17 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 442 + C_GB1_17 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 448 + C_GB1_17 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 460 + C_GB1_17 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 462 + C_GB1_17 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 468 + C_GB1_17 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 469 + C_GB1_17 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 470 + C_GB1_17 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 476 + C_GB1_17 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 478 + C_GB1_17 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 484 + C_GB1_17 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 147 485 O_GB1_17 O_GB1_17 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 148 148 O_GB1_17 H_GB1_18 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 148 150 - O_GB1_17 CB_GB1_18 1 0.000000e+00 4.153552e-06 ; 3.172220e-01 -4.153552e-06 9.999863e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 148 152 - O_GB1_17 OG1_GB1_18 1 0.000000e+00 2.032794e-07 ; 2.467002e-01 -2.032794e-07 5.966631e-01 1.560357e-01 0.004395 0.001132 True md_ensemble 5 148 153 + O_GB1_17 CB_GB1_18 1 0.000000e+00 4.153584e-06 ; 3.172222e-01 -4.153584e-06 9.999863e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 148 152 + O_GB1_17 OG1_GB1_18 1 0.000000e+00 2.032789e-07 ; 2.467001e-01 -2.032789e-07 5.966631e-01 1.560357e-01 0.004395 0.001132 True md_ensemble 5 148 153 O_GB1_17 CG2_GB1_18 1 0.000000e+00 1.143009e-06 ; 2.848825e-01 -1.143009e-06 7.399624e-01 4.999457e-01 0.004395 0.001132 True md_ensemble 5 148 154 - O_GB1_17 C_GB1_18 1 0.000000e+00 8.224645e-07 ; 2.771755e-01 -8.224645e-07 9.990515e-01 9.936360e-01 0.004395 0.001132 True md_ensemble 4 148 155 + O_GB1_17 C_GB1_18 1 0.000000e+00 8.224607e-07 ; 2.771753e-01 -8.224607e-07 9.990515e-01 9.936360e-01 0.004395 0.001132 True md_ensemble 4 148 155 O_GB1_17 O_GB1_18 1 0.000000e+00 2.205956e-06 ; 3.009272e-01 -2.205956e-06 3.117650e-01 7.824021e-01 0.004395 0.001132 True md_ensemble 5 148 156 O_GB1_17 N_GB1_19 1 0.000000e+00 2.566543e-06 ; 3.047479e-01 -2.566543e-06 1.687452e-01 8.797737e-01 0.004395 0.001132 True md_ensemble 5 148 157 O_GB1_17 H_GB1_19 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 148 158 @@ -23490,123 +23490,123 @@ CG2_GB1_17 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- O_GB1_17 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 148 488 O_GB1_17 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 148 490 O_GB1_17 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 148 491 - N_GB1_18 CB_GB1_18 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 152 - N_GB1_18 CG2_GB1_18 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 154 - N_GB1_18 CA_GB1_19 1 0.000000e+00 7.574787e-06 ; 3.335103e-01 -7.574787e-06 1.000000e+00 9.999726e-01 0.004395 0.001132 True md_ensemble 4 149 159 - N_GB1_18 CB_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 160 - N_GB1_18 CG_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 161 + N_GB1_18 CB_GB1_18 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 152 + N_GB1_18 CG2_GB1_18 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 154 + N_GB1_18 CA_GB1_19 1 0.000000e+00 7.574775e-06 ; 3.335102e-01 -7.574775e-06 1.000000e+00 9.999726e-01 0.004395 0.001132 True md_ensemble 4 149 159 + N_GB1_18 CB_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 160 + N_GB1_18 CG_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 161 N_GB1_18 C_GB1_19 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 0.000000e+00 7.631893e-02 0.004395 0.001132 True md_ensemble 5 149 165 N_GB1_18 O_GB1_19 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 0.000000e+00 9.763711e-02 0.004395 0.001132 True md_ensemble 6 149 166 N_GB1_18 N_GB1_20 1 0.000000e+00 8.752940e-07 ; 2.786171e-01 -8.752940e-07 0.000000e+00 1.013591e-01 0.004395 0.001132 True md_ensemble 6 149 167 - N_GB1_18 CB_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 170 + N_GB1_18 CB_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 170 N_GB1_18 N_GB1_21 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.023084e-04 0.004395 0.001132 True md_ensemble 7 149 173 - N_GB1_18 CB_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 176 - N_GB1_18 CG1_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 177 - N_GB1_18 CG2_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 178 + N_GB1_18 CB_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 176 + N_GB1_18 CG1_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 177 + N_GB1_18 CG2_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 178 N_GB1_18 N_GB1_22 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 149 181 - N_GB1_18 CB_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 184 + N_GB1_18 CB_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 184 N_GB1_18 N_GB1_23 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 149 190 - N_GB1_18 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 193 + N_GB1_18 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 193 N_GB1_18 N_GB1_24 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 149 196 - N_GB1_18 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 199 + N_GB1_18 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 199 N_GB1_18 N_GB1_25 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 149 202 - N_GB1_18 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 205 - N_GB1_18 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 207 + N_GB1_18 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 205 + N_GB1_18 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 207 N_GB1_18 N_GB1_26 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 149 210 - N_GB1_18 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 213 + N_GB1_18 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 213 N_GB1_18 N_GB1_27 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 149 216 - N_GB1_18 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 219 - N_GB1_18 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 220 + N_GB1_18 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 219 + N_GB1_18 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 220 N_GB1_18 N_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 149 226 - N_GB1_18 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 229 - N_GB1_18 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 230 - N_GB1_18 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 231 - N_GB1_18 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 232 + N_GB1_18 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 229 + N_GB1_18 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 230 + N_GB1_18 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 231 + N_GB1_18 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 232 N_GB1_18 NZ_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 9.167161e-05 0.004395 0.001132 True md_ensemble 7 149 233 N_GB1_18 N_GB1_29 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 149 236 - N_GB1_18 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 239 - N_GB1_18 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 240 - N_GB1_18 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 241 + N_GB1_18 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 239 + N_GB1_18 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 240 + N_GB1_18 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 241 N_GB1_18 N_GB1_30 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 149 244 - N_GB1_18 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 247 + N_GB1_18 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 247 N_GB1_18 CE1_GB1_30 1 2.565936e-03 4.747808e-06 ; 3.503816e-01 3.466876e-01 9.378135e-01 4.659462e-04 0.004395 0.015244 True md_ensemble 7 149 251 N_GB1_18 CE2_GB1_30 1 2.565936e-03 4.747808e-06 ; 3.503816e-01 3.466876e-01 9.378135e-01 4.659462e-04 0.004395 0.015244 True md_ensemble 7 149 252 N_GB1_18 CZ_GB1_30 1 1.711045e-03 2.098025e-06 ; 3.271585e-01 3.488608e-01 9.781614e-01 3.490519e-04 0.004395 0.015244 True md_ensemble 7 149 253 N_GB1_18 N_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 149 256 - N_GB1_18 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 259 - N_GB1_18 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 260 - N_GB1_18 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 261 - N_GB1_18 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 262 + N_GB1_18 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 259 + N_GB1_18 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 260 + N_GB1_18 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 261 + N_GB1_18 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 262 N_GB1_18 NZ_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 3.912602e-06 0.004395 0.001132 True md_ensemble 7 149 263 N_GB1_18 N_GB1_32 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 149 266 - N_GB1_18 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 269 - N_GB1_18 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 270 + N_GB1_18 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 269 + N_GB1_18 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 270 N_GB1_18 N_GB1_33 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 149 276 - N_GB1_18 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 279 + N_GB1_18 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 279 N_GB1_18 N_GB1_34 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 149 289 - N_GB1_18 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 292 + N_GB1_18 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 292 N_GB1_18 N_GB1_35 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 149 295 - N_GB1_18 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 298 + N_GB1_18 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 298 N_GB1_18 N_GB1_36 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 149 304 - N_GB1_18 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 307 + N_GB1_18 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 307 N_GB1_18 N_GB1_37 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 149 313 - N_GB1_18 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 316 + N_GB1_18 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 316 N_GB1_18 N_GB1_38 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 149 322 - N_GB1_18 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 324 + N_GB1_18 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 324 N_GB1_18 N_GB1_39 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 149 327 - N_GB1_18 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 330 - N_GB1_18 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 331 - N_GB1_18 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 332 + N_GB1_18 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 330 + N_GB1_18 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 331 + N_GB1_18 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 332 N_GB1_18 N_GB1_40 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 149 335 - N_GB1_18 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 338 + N_GB1_18 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 338 N_GB1_18 N_GB1_41 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 149 344 - N_GB1_18 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 346 + N_GB1_18 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 346 N_GB1_18 N_GB1_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 149 349 - N_GB1_18 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 352 - N_GB1_18 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 353 + N_GB1_18 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 352 + N_GB1_18 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 353 N_GB1_18 N_GB1_43 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 149 359 - N_GB1_18 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 362 + N_GB1_18 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 362 N_GB1_18 N_GB1_44 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 149 374 - N_GB1_18 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 377 - N_GB1_18 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 379 + N_GB1_18 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 377 + N_GB1_18 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 379 N_GB1_18 N_GB1_45 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 149 382 - N_GB1_18 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 385 + N_GB1_18 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 385 N_GB1_18 N_GB1_46 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 149 395 - N_GB1_18 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 398 + N_GB1_18 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 398 N_GB1_18 N_GB1_47 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 149 404 - N_GB1_18 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 407 + N_GB1_18 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 407 N_GB1_18 N_GB1_48 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 149 413 - N_GB1_18 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 416 + N_GB1_18 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 416 N_GB1_18 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 149 419 - N_GB1_18 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 422 - N_GB1_18 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 424 + N_GB1_18 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 422 + N_GB1_18 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 424 N_GB1_18 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 149 427 - N_GB1_18 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 430 - N_GB1_18 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 431 - N_GB1_18 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 432 - N_GB1_18 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 433 + N_GB1_18 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 430 + N_GB1_18 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 431 + N_GB1_18 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 432 + N_GB1_18 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 433 N_GB1_18 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 149 434 N_GB1_18 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 149 437 - N_GB1_18 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 440 - N_GB1_18 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 442 + N_GB1_18 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 440 + N_GB1_18 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 442 N_GB1_18 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 149 445 - N_GB1_18 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 448 + N_GB1_18 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 448 N_GB1_18 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 149 457 - N_GB1_18 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 460 - N_GB1_18 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 462 + N_GB1_18 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 460 + N_GB1_18 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 462 N_GB1_18 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 149 465 - N_GB1_18 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 468 - N_GB1_18 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 469 - N_GB1_18 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 470 + N_GB1_18 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 468 + N_GB1_18 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 469 + N_GB1_18 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 470 N_GB1_18 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 149 473 - N_GB1_18 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 476 - N_GB1_18 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 478 + N_GB1_18 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 476 + N_GB1_18 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 478 N_GB1_18 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 149 481 - N_GB1_18 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 484 - N_GB1_18 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 485 + N_GB1_18 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 484 + N_GB1_18 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 149 485 H_GB1_18 H_GB1_18 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 150 150 H_GB1_18 OG1_GB1_18 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 150 153 - H_GB1_18 O_GB1_18 1 0.000000e+00 5.671180e-09 ; 1.830773e-01 -5.671180e-09 9.999974e-01 3.654980e-01 0.004395 0.001132 True md_ensemble 4 150 156 + H_GB1_18 O_GB1_18 1 0.000000e+00 5.671270e-09 ; 1.830775e-01 -5.671270e-09 9.999974e-01 3.654980e-01 0.004395 0.001132 True md_ensemble 4 150 156 H_GB1_18 H_GB1_19 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 150 158 H_GB1_18 OE1_GB1_19 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 150 163 H_GB1_18 OE2_GB1_19 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 150 164 @@ -23713,13 +23713,13 @@ CG2_GB1_17 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- H_GB1_18 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 150 488 H_GB1_18 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 150 490 H_GB1_18 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 150 491 - CA_GB1_18 CB_GB1_19 1 0.000000e+00 3.181351e-05 ; 3.758772e-01 -3.181351e-05 1.000000e+00 9.999956e-01 0.004395 0.001132 True md_ensemble 4 151 160 - CA_GB1_18 CG_GB1_19 1 0.000000e+00 5.135926e-05 ; 3.911829e-01 -5.135926e-05 2.640539e-01 8.784320e-01 0.004395 0.001132 True md_ensemble 5 151 161 - CA_GB1_18 CD_GB1_19 1 0.000000e+00 1.366414e-05 ; 3.503162e-01 -1.366414e-05 4.987182e-03 5.189823e-02 0.004395 0.001132 True md_ensemble 6 151 162 - CA_GB1_18 C_GB1_19 1 0.000000e+00 1.305193e-05 ; 3.489806e-01 -1.305193e-05 9.999951e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 151 165 - CA_GB1_18 O_GB1_19 1 0.000000e+00 1.690291e-06 ; 2.943236e-01 -1.690291e-06 9.450900e-01 3.520463e-01 0.004395 0.001132 True md_ensemble 5 151 166 - CA_GB1_18 N_GB1_20 1 0.000000e+00 7.849300e-06 ; 3.345011e-01 -7.849300e-06 6.753655e-01 7.115775e-01 0.004395 0.001132 True md_ensemble 5 151 167 - CA_GB1_18 CA_GB1_20 1 0.000000e+00 6.648883e-05 ; 3.996907e-01 -6.648883e-05 6.826686e-01 6.969021e-01 0.004395 0.001132 True md_ensemble 6 151 169 + CA_GB1_18 CB_GB1_19 1 0.000000e+00 3.181338e-05 ; 3.758771e-01 -3.181338e-05 1.000000e+00 9.999956e-01 0.004395 0.001132 True md_ensemble 4 151 160 + CA_GB1_18 CG_GB1_19 1 0.000000e+00 5.135905e-05 ; 3.911828e-01 -5.135905e-05 2.640539e-01 8.784320e-01 0.004395 0.001132 True md_ensemble 5 151 161 + CA_GB1_18 CD_GB1_19 1 0.000000e+00 1.366407e-05 ; 3.503160e-01 -1.366407e-05 4.987182e-03 5.189823e-02 0.004395 0.001132 True md_ensemble 6 151 162 + CA_GB1_18 C_GB1_19 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 9.999951e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 151 165 + CA_GB1_18 O_GB1_19 1 0.000000e+00 1.690304e-06 ; 2.943238e-01 -1.690304e-06 9.450900e-01 3.520463e-01 0.004395 0.001132 True md_ensemble 5 151 166 + CA_GB1_18 N_GB1_20 1 0.000000e+00 7.849288e-06 ; 3.345011e-01 -7.849288e-06 6.753655e-01 7.115775e-01 0.004395 0.001132 True md_ensemble 5 151 167 + CA_GB1_18 CA_GB1_20 1 0.000000e+00 6.648932e-05 ; 3.996910e-01 -6.648932e-05 6.826686e-01 6.969021e-01 0.004395 0.001132 True md_ensemble 6 151 169 CA_GB1_18 CB_GB1_20 1 8.278243e-03 1.494773e-04 ; 5.121999e-01 1.146149e-01 2.502298e-01 2.579661e-01 0.004395 0.010759 True md_ensemble 7 151 170 CA_GB1_18 CA_GB1_26 1 3.126238e-02 9.584177e-04 ; 5.594425e-01 2.549348e-01 1.583958e-01 4.065055e-03 0.004395 0.006476 True md_ensemble 7 151 212 CA_GB1_18 CB_GB1_26 1 1.526244e-02 2.657523e-04 ; 5.091067e-01 2.191345e-01 7.913662e-02 4.938899e-03 0.004395 0.010759 True md_ensemble 7 151 213 @@ -23731,65 +23731,65 @@ CG2_GB1_17 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- CA_GB1_18 CE1_GB1_30 1 6.362532e-03 2.893657e-05 ; 4.070392e-01 3.497461e-01 9.950905e-01 2.340992e-03 0.004395 0.010759 True md_ensemble 7 151 251 CA_GB1_18 CE2_GB1_30 1 6.362532e-03 2.893657e-05 ; 4.070392e-01 3.497461e-01 9.950905e-01 2.340992e-03 0.004395 0.010759 True md_ensemble 7 151 252 CA_GB1_18 CZ_GB1_30 1 5.281649e-03 1.993331e-05 ; 3.945799e-01 3.498642e-01 9.973720e-01 3.281176e-03 0.004395 0.010759 True md_ensemble 7 151 253 - CB_GB1_18 OG1_GB1_18 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 153 - CB_GB1_18 C_GB1_18 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 155 + CB_GB1_18 OG1_GB1_18 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 153 + CB_GB1_18 C_GB1_18 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 155 CB_GB1_18 O_GB1_18 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 156 - CB_GB1_18 N_GB1_19 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 157 - CB_GB1_18 CA_GB1_19 1 0.000000e+00 6.555574e-05 ; 3.992202e-01 -6.555574e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 152 159 - CB_GB1_18 CB_GB1_19 1 0.000000e+00 2.940647e-05 ; 3.734209e-01 -2.940647e-05 9.992698e-01 9.236046e-01 0.004395 0.001132 True md_ensemble 5 152 160 - CB_GB1_18 CG_GB1_19 1 0.000000e+00 4.558187e-05 ; 3.873121e-01 -4.558187e-05 6.836736e-02 5.011444e-01 0.004395 0.001132 True md_ensemble 6 152 161 - CB_GB1_18 CD_GB1_19 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 162 - CB_GB1_18 OE1_GB1_19 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 163 - CB_GB1_18 OE2_GB1_19 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 164 - CB_GB1_18 C_GB1_19 1 0.000000e+00 7.985028e-06 ; 3.349794e-01 -7.985028e-06 9.999981e-01 6.117902e-01 0.004395 0.001132 True md_ensemble 5 152 165 + CB_GB1_18 N_GB1_19 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 157 + CB_GB1_18 CA_GB1_19 1 0.000000e+00 6.555622e-05 ; 3.992205e-01 -6.555622e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 152 159 + CB_GB1_18 CB_GB1_19 1 0.000000e+00 2.940634e-05 ; 3.734207e-01 -2.940634e-05 9.992698e-01 9.236046e-01 0.004395 0.001132 True md_ensemble 5 152 160 + CB_GB1_18 CG_GB1_19 1 0.000000e+00 4.558168e-05 ; 3.873119e-01 -4.558168e-05 6.836736e-02 5.011444e-01 0.004395 0.001132 True md_ensemble 6 152 161 + CB_GB1_18 CD_GB1_19 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 162 + CB_GB1_18 OE1_GB1_19 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 163 + CB_GB1_18 OE2_GB1_19 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 164 + CB_GB1_18 C_GB1_19 1 0.000000e+00 7.984986e-06 ; 3.349792e-01 -7.984986e-06 9.999981e-01 6.117902e-01 0.004395 0.001132 True md_ensemble 5 152 165 CB_GB1_18 O_GB1_19 1 1.731526e-03 7.631668e-06 ; 4.049161e-01 9.821513e-02 9.346489e-01 1.392759e-01 0.004395 0.001132 True md_ensemble 6 152 166 - CB_GB1_18 N_GB1_20 1 0.000000e+00 6.967936e-06 ; 3.311975e-01 -6.967936e-06 3.855058e-01 3.053660e-01 0.004395 0.001132 True md_ensemble 6 152 167 + CB_GB1_18 N_GB1_20 1 0.000000e+00 6.967925e-06 ; 3.311974e-01 -6.967925e-06 3.855058e-01 3.053660e-01 0.004395 0.001132 True md_ensemble 6 152 167 CB_GB1_18 CA_GB1_20 1 1.363816e-02 3.458047e-04 ; 5.420165e-01 1.344684e-01 7.825658e-01 3.305073e-01 0.004395 0.006476 True md_ensemble 7 152 169 CB_GB1_18 CB_GB1_20 1 9.657131e-03 1.257932e-04 ; 4.850667e-01 1.853443e-01 7.075576e-01 1.851770e-01 0.004395 0.010759 True md_ensemble 7 152 170 - CB_GB1_18 C_GB1_20 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 171 + CB_GB1_18 C_GB1_20 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 171 CB_GB1_18 O_GB1_20 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 8.479381e-02 0.004395 0.007862 True md_ensemble 7 152 172 - CB_GB1_18 N_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 173 - CB_GB1_18 C_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 179 + CB_GB1_18 N_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 173 + CB_GB1_18 C_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 179 CB_GB1_18 O_GB1_21 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.904950e-02 0.004395 0.007862 True md_ensemble 7 152 180 - CB_GB1_18 N_GB1_22 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 181 - CB_GB1_18 CG_GB1_22 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 185 - CB_GB1_18 OD1_GB1_22 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 186 - CB_GB1_18 OD2_GB1_22 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 187 - CB_GB1_18 C_GB1_22 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 188 + CB_GB1_18 N_GB1_22 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 181 + CB_GB1_18 CG_GB1_22 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 185 + CB_GB1_18 OD1_GB1_22 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 186 + CB_GB1_18 OD2_GB1_22 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 187 + CB_GB1_18 C_GB1_22 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 188 CB_GB1_18 O_GB1_22 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.475201e-03 0.004395 0.007862 True md_ensemble 7 152 189 - CB_GB1_18 N_GB1_23 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 190 - CB_GB1_18 C_GB1_23 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 194 + CB_GB1_18 N_GB1_23 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 190 + CB_GB1_18 C_GB1_23 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 194 CB_GB1_18 O_GB1_23 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.791810e-03 0.004395 0.007862 True md_ensemble 7 152 195 - CB_GB1_18 N_GB1_24 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 196 - CB_GB1_18 C_GB1_24 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 200 + CB_GB1_18 N_GB1_24 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 196 + CB_GB1_18 C_GB1_24 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 200 CB_GB1_18 O_GB1_24 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.824300e-03 0.004395 0.007862 True md_ensemble 7 152 201 - CB_GB1_18 N_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 202 - CB_GB1_18 OG1_GB1_25 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 206 - CB_GB1_18 C_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 208 + CB_GB1_18 N_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 202 + CB_GB1_18 OG1_GB1_25 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 206 + CB_GB1_18 C_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 208 CB_GB1_18 O_GB1_25 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 9.657000e-05 1.343054e-03 0.004395 0.007862 True md_ensemble 7 152 209 - CB_GB1_18 N_GB1_26 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 210 + CB_GB1_18 N_GB1_26 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 210 CB_GB1_18 CA_GB1_26 1 1.805029e-02 2.421253e-04 ; 4.874454e-01 3.364094e-01 8.610557e-01 7.257006e-03 0.004395 0.006476 True md_ensemble 7 152 212 CB_GB1_18 CB_GB1_26 1 1.182152e-02 1.065537e-04 ; 4.561936e-01 3.278824e-01 6.513503e-01 7.902601e-03 0.004395 0.010759 True md_ensemble 7 152 213 CB_GB1_18 C_GB1_26 1 9.955590e-03 1.220291e-04 ; 4.801748e-01 2.030536e-01 5.794410e-02 1.021624e-03 0.004395 0.001132 True md_ensemble 7 152 214 CB_GB1_18 O_GB1_26 1 5.623126e-03 3.758735e-05 ; 4.340209e-01 2.103071e-01 6.669118e-02 9.426268e-04 0.004395 0.007862 True md_ensemble 7 152 215 - CB_GB1_18 N_GB1_27 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 216 - CB_GB1_18 CD_GB1_27 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 221 - CB_GB1_18 OE1_GB1_27 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 222 - CB_GB1_18 OE2_GB1_27 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 223 - CB_GB1_18 C_GB1_27 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 224 + CB_GB1_18 N_GB1_27 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 216 + CB_GB1_18 CD_GB1_27 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 221 + CB_GB1_18 OE1_GB1_27 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 222 + CB_GB1_18 OE2_GB1_27 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 223 + CB_GB1_18 C_GB1_27 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 224 CB_GB1_18 O_GB1_27 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 7.199297e-04 0.004395 0.007862 True md_ensemble 7 152 225 - CB_GB1_18 N_GB1_28 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 226 - CB_GB1_18 NZ_GB1_28 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 233 - CB_GB1_18 C_GB1_28 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 234 + CB_GB1_18 N_GB1_28 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 226 + CB_GB1_18 NZ_GB1_28 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 233 + CB_GB1_18 C_GB1_28 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 234 CB_GB1_18 O_GB1_28 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.143308e-03 0.004395 0.007862 True md_ensemble 7 152 235 - CB_GB1_18 N_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 236 + CB_GB1_18 N_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 236 CB_GB1_18 CA_GB1_29 1 3.207094e-02 8.736529e-04 ; 5.485352e-01 2.943232e-01 3.398707e-01 1.657414e-03 0.004395 0.006476 True md_ensemble 7 152 238 CB_GB1_18 CB_GB1_29 1 1.109734e-02 8.893454e-05 ; 4.473443e-01 3.461844e-01 9.287114e-01 2.875448e-03 0.004395 0.006476 True md_ensemble 7 152 239 CB_GB1_18 CG1_GB1_29 1 4.047682e-03 1.241753e-05 ; 3.811871e-01 3.298508e-01 6.766820e-01 2.192457e-03 0.004395 0.010759 True md_ensemble 7 152 240 CB_GB1_18 CG2_GB1_29 1 5.478079e-03 2.229353e-05 ; 3.995690e-01 3.365254e-01 7.701425e-01 2.825209e-03 0.004395 0.010759 True md_ensemble 7 152 241 - CB_GB1_18 C_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 242 + CB_GB1_18 C_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 242 CB_GB1_18 O_GB1_29 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.925681e-04 0.004395 0.007862 True md_ensemble 7 152 243 - CB_GB1_18 N_GB1_30 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 244 + CB_GB1_18 N_GB1_30 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 244 CB_GB1_18 CA_GB1_30 1 2.461765e-02 7.751779e-04 ; 5.619433e-01 1.954482e-01 5.000192e-02 2.320574e-03 0.004395 0.006476 True md_ensemble 7 152 246 CB_GB1_18 CB_GB1_30 1 9.991401e-03 2.296556e-04 ; 5.332225e-01 1.086715e-01 9.300425e-03 2.972444e-03 0.004395 0.007117 True md_ensemble 7 152 247 CB_GB1_18 CG_GB1_30 1 1.401634e-02 1.594435e-04 ; 4.742370e-01 3.080364e-01 4.433549e-01 1.660042e-03 0.004395 0.010759 True md_ensemble 7 152 248 @@ -23798,170 +23798,170 @@ CG2_GB1_17 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- CB_GB1_18 CE1_GB1_30 1 2.210584e-03 3.490497e-06 ; 3.412427e-01 3.499989e-01 9.999778e-01 5.001660e-03 0.004395 0.010759 True md_ensemble 7 152 251 CB_GB1_18 CE2_GB1_30 1 2.210584e-03 3.490497e-06 ; 3.412427e-01 3.499989e-01 9.999778e-01 5.001660e-03 0.004395 0.010759 True md_ensemble 7 152 252 CB_GB1_18 CZ_GB1_30 1 2.377853e-03 4.038849e-06 ; 3.454184e-01 3.499875e-01 9.997585e-01 5.597556e-03 0.004395 0.010759 True md_ensemble 7 152 253 - CB_GB1_18 C_GB1_30 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 254 + CB_GB1_18 C_GB1_30 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 254 CB_GB1_18 O_GB1_30 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 6.140408e-04 0.004395 0.007862 True md_ensemble 7 152 255 - CB_GB1_18 N_GB1_31 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 256 - CB_GB1_18 NZ_GB1_31 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 263 - CB_GB1_18 C_GB1_31 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 264 + CB_GB1_18 N_GB1_31 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 256 + CB_GB1_18 NZ_GB1_31 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 263 + CB_GB1_18 C_GB1_31 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 264 CB_GB1_18 O_GB1_31 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 6.005125e-04 0.004395 0.007862 True md_ensemble 7 152 265 - CB_GB1_18 N_GB1_32 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 266 - CB_GB1_18 CD_GB1_32 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 271 + CB_GB1_18 N_GB1_32 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 266 + CB_GB1_18 CD_GB1_32 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 271 CB_GB1_18 OE1_GB1_32 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.445822e-03 0.004395 0.007862 True md_ensemble 7 152 272 - CB_GB1_18 NE2_GB1_32 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 273 - CB_GB1_18 C_GB1_32 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 274 + CB_GB1_18 NE2_GB1_32 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 273 + CB_GB1_18 C_GB1_32 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 274 CB_GB1_18 O_GB1_32 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.755756e-04 0.004395 0.007862 True md_ensemble 7 152 275 - CB_GB1_18 N_GB1_33 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 276 + CB_GB1_18 N_GB1_33 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 276 CB_GB1_18 CE1_GB1_33 1 2.300274e-03 1.287642e-05 ; 4.213755e-01 1.027316e-01 8.288970e-03 2.035014e-03 0.004395 0.010759 True md_ensemble 7 152 283 CB_GB1_18 CE2_GB1_33 1 2.300274e-03 1.287642e-05 ; 4.213755e-01 1.027316e-01 8.288970e-03 2.035014e-03 0.004395 0.010759 True md_ensemble 7 152 284 CB_GB1_18 CZ_GB1_33 1 2.422618e-03 1.561331e-05 ; 4.313883e-01 9.397551e-02 6.995072e-03 2.309172e-03 0.004395 0.010759 True md_ensemble 7 152 285 - CB_GB1_18 OH_GB1_33 1 0.000000e+00 5.703617e-06 ; 3.257173e-01 -5.703617e-06 8.145647e-03 2.545447e-03 0.004395 0.001132 True md_ensemble 7 152 286 - CB_GB1_18 C_GB1_33 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 287 + CB_GB1_18 OH_GB1_33 1 0.000000e+00 5.703598e-06 ; 3.257172e-01 -5.703598e-06 8.145647e-03 2.545447e-03 0.004395 0.001132 True md_ensemble 7 152 286 + CB_GB1_18 C_GB1_33 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 287 CB_GB1_18 O_GB1_33 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.426937e-04 0.004395 0.007862 True md_ensemble 7 152 288 - CB_GB1_18 N_GB1_34 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 289 - CB_GB1_18 C_GB1_34 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 293 + CB_GB1_18 N_GB1_34 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 289 + CB_GB1_18 C_GB1_34 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 293 CB_GB1_18 O_GB1_34 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 4.443949e-04 0.004395 0.007862 True md_ensemble 7 152 294 - CB_GB1_18 N_GB1_35 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 295 - CB_GB1_18 CG_GB1_35 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 299 + CB_GB1_18 N_GB1_35 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 295 + CB_GB1_18 CG_GB1_35 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 299 CB_GB1_18 OD1_GB1_35 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.038708e-03 0.004395 0.007862 True md_ensemble 7 152 300 - CB_GB1_18 ND2_GB1_35 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 301 - CB_GB1_18 C_GB1_35 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 302 + CB_GB1_18 ND2_GB1_35 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 301 + CB_GB1_18 C_GB1_35 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 302 CB_GB1_18 O_GB1_35 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 4.963759e-04 0.004395 0.007862 True md_ensemble 7 152 303 - CB_GB1_18 N_GB1_36 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 304 - CB_GB1_18 CG_GB1_36 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 308 - CB_GB1_18 OD1_GB1_36 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 309 - CB_GB1_18 OD2_GB1_36 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 310 - CB_GB1_18 C_GB1_36 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 311 + CB_GB1_18 N_GB1_36 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 304 + CB_GB1_18 CG_GB1_36 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 308 + CB_GB1_18 OD1_GB1_36 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 309 + CB_GB1_18 OD2_GB1_36 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 310 + CB_GB1_18 C_GB1_36 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 311 CB_GB1_18 O_GB1_36 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 5.611775e-04 0.004395 0.007862 True md_ensemble 7 152 312 - CB_GB1_18 N_GB1_37 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 313 - CB_GB1_18 CG_GB1_37 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 317 + CB_GB1_18 N_GB1_37 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 313 + CB_GB1_18 CG_GB1_37 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 317 CB_GB1_18 OD1_GB1_37 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 9.174114e-04 0.004395 0.007862 True md_ensemble 7 152 318 - CB_GB1_18 ND2_GB1_37 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 319 - CB_GB1_18 C_GB1_37 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 320 + CB_GB1_18 ND2_GB1_37 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 319 + CB_GB1_18 C_GB1_37 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 320 CB_GB1_18 O_GB1_37 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 5.082940e-04 0.004395 0.007862 True md_ensemble 7 152 321 - CB_GB1_18 N_GB1_38 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 322 - CB_GB1_18 C_GB1_38 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 325 + CB_GB1_18 N_GB1_38 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 322 + CB_GB1_18 C_GB1_38 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 325 CB_GB1_18 O_GB1_38 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 6.025532e-04 0.004395 0.007862 True md_ensemble 7 152 326 - CB_GB1_18 N_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 327 - CB_GB1_18 C_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 333 + CB_GB1_18 N_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 327 + CB_GB1_18 C_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 333 CB_GB1_18 O_GB1_39 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.961111e-04 0.004395 0.007862 True md_ensemble 7 152 334 - CB_GB1_18 N_GB1_40 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 335 - CB_GB1_18 CG_GB1_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 339 - CB_GB1_18 OD1_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 340 - CB_GB1_18 OD2_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 341 - CB_GB1_18 C_GB1_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 342 + CB_GB1_18 N_GB1_40 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 335 + CB_GB1_18 CG_GB1_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 339 + CB_GB1_18 OD1_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 340 + CB_GB1_18 OD2_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 341 + CB_GB1_18 C_GB1_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 342 CB_GB1_18 O_GB1_40 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 8.701640e-05 0.004395 0.007862 True md_ensemble 7 152 343 - CB_GB1_18 N_GB1_41 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 344 - CB_GB1_18 C_GB1_41 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 347 + CB_GB1_18 N_GB1_41 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 344 + CB_GB1_18 C_GB1_41 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 347 CB_GB1_18 O_GB1_41 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.862159e-04 0.004395 0.007862 True md_ensemble 7 152 348 - CB_GB1_18 N_GB1_42 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 349 - CB_GB1_18 CD_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 354 - CB_GB1_18 OE1_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 355 - CB_GB1_18 OE2_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 356 - CB_GB1_18 C_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 357 + CB_GB1_18 N_GB1_42 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 349 + CB_GB1_18 CD_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 354 + CB_GB1_18 OE1_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 355 + CB_GB1_18 OE2_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 356 + CB_GB1_18 C_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 357 CB_GB1_18 O_GB1_42 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.456424e-04 0.004395 0.007862 True md_ensemble 7 152 358 - CB_GB1_18 N_GB1_43 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 359 - CB_GB1_18 NE1_GB1_43 1 0.000000e+00 9.937288e-06 ; 8.853117e-06 -9.937288e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 366 - CB_GB1_18 C_GB1_43 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 372 + CB_GB1_18 N_GB1_43 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 359 + CB_GB1_18 NE1_GB1_43 1 0.000000e+00 9.937231e-06 ; 8.853066e-06 -9.937231e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 366 + CB_GB1_18 C_GB1_43 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 372 CB_GB1_18 O_GB1_43 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.776761e-04 0.004395 0.007862 True md_ensemble 7 152 373 - CB_GB1_18 N_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 374 - CB_GB1_18 OG1_GB1_44 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 378 - CB_GB1_18 C_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 380 + CB_GB1_18 N_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 374 + CB_GB1_18 OG1_GB1_44 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 378 + CB_GB1_18 C_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 380 CB_GB1_18 O_GB1_44 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 4.985223e-04 0.004395 0.007862 True md_ensemble 7 152 381 - CB_GB1_18 N_GB1_45 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 382 - CB_GB1_18 OH_GB1_45 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 392 - CB_GB1_18 C_GB1_45 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 393 + CB_GB1_18 N_GB1_45 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 382 + CB_GB1_18 OH_GB1_45 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 392 + CB_GB1_18 C_GB1_45 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 393 CB_GB1_18 O_GB1_45 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.000629e-04 0.004395 0.007862 True md_ensemble 7 152 394 - CB_GB1_18 N_GB1_46 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 395 - CB_GB1_18 CG_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 399 - CB_GB1_18 OD1_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 400 - CB_GB1_18 OD2_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 401 - CB_GB1_18 C_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 402 + CB_GB1_18 N_GB1_46 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 395 + CB_GB1_18 CG_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 399 + CB_GB1_18 OD1_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 400 + CB_GB1_18 OD2_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 401 + CB_GB1_18 C_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 402 CB_GB1_18 O_GB1_46 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.026733e-04 0.004395 0.007862 True md_ensemble 7 152 403 - CB_GB1_18 N_GB1_47 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 404 - CB_GB1_18 CG_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 408 - CB_GB1_18 OD1_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 409 - CB_GB1_18 OD2_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 410 - CB_GB1_18 C_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 411 + CB_GB1_18 N_GB1_47 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 404 + CB_GB1_18 CG_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 408 + CB_GB1_18 OD1_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 409 + CB_GB1_18 OD2_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 410 + CB_GB1_18 C_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 411 CB_GB1_18 O_GB1_47 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.998974e-04 0.004395 0.007862 True md_ensemble 7 152 412 - CB_GB1_18 N_GB1_48 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 413 - CB_GB1_18 C_GB1_48 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 417 + CB_GB1_18 N_GB1_48 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 413 + CB_GB1_18 C_GB1_48 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 417 CB_GB1_18 O_GB1_48 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.000529e-04 0.004395 0.007862 True md_ensemble 7 152 418 - CB_GB1_18 N_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 419 - CB_GB1_18 OG1_GB1_49 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 423 - CB_GB1_18 C_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 425 + CB_GB1_18 N_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 419 + CB_GB1_18 OG1_GB1_49 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 423 + CB_GB1_18 C_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 425 CB_GB1_18 O_GB1_49 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 9.349416e-05 0.004395 0.007862 True md_ensemble 7 152 426 - CB_GB1_18 N_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 427 - CB_GB1_18 NZ_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 434 - CB_GB1_18 C_GB1_50 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 435 + CB_GB1_18 N_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 427 + CB_GB1_18 NZ_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 434 + CB_GB1_18 C_GB1_50 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 435 CB_GB1_18 O_GB1_50 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.997521e-04 0.004395 0.007862 True md_ensemble 7 152 436 - CB_GB1_18 N_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 437 - CB_GB1_18 OG1_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 441 - CB_GB1_18 C_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 443 + CB_GB1_18 N_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 437 + CB_GB1_18 OG1_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 441 + CB_GB1_18 C_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 443 CB_GB1_18 O_GB1_51 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.000329e-04 0.004395 0.007862 True md_ensemble 7 152 444 - CB_GB1_18 N_GB1_52 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 445 - CB_GB1_18 C_GB1_52 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 455 + CB_GB1_18 N_GB1_52 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 445 + CB_GB1_18 C_GB1_52 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 455 CB_GB1_18 O_GB1_52 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.318738e-04 0.004395 0.007862 True md_ensemble 7 152 456 - CB_GB1_18 N_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 457 - CB_GB1_18 OG1_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 461 - CB_GB1_18 C_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 463 + CB_GB1_18 N_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 457 + CB_GB1_18 OG1_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 461 + CB_GB1_18 C_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 463 CB_GB1_18 O_GB1_53 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.000057e-04 0.004395 0.007862 True md_ensemble 7 152 464 - CB_GB1_18 N_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 465 - CB_GB1_18 C_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 471 + CB_GB1_18 N_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 465 + CB_GB1_18 C_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 471 CB_GB1_18 O_GB1_54 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.169769e-04 0.004395 0.007862 True md_ensemble 7 152 472 - CB_GB1_18 N_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 473 - CB_GB1_18 OG1_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 477 - CB_GB1_18 C_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 479 + CB_GB1_18 N_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 473 + CB_GB1_18 OG1_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 477 + CB_GB1_18 C_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 479 CB_GB1_18 O_GB1_55 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.999965e-04 0.004395 0.007862 True md_ensemble 7 152 480 - CB_GB1_18 N_GB1_56 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 481 - CB_GB1_18 CD_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 486 - CB_GB1_18 OE1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 487 - CB_GB1_18 OE2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 488 - CB_GB1_18 C_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 489 - CB_GB1_18 O1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 490 - CB_GB1_18 O2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 491 -OG1_GB1_18 CG2_GB1_18 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 154 -OG1_GB1_18 O_GB1_18 1 0.000000e+00 3.371227e-07 ; 2.573222e-01 -3.371227e-07 7.897287e-01 7.174036e-01 0.004395 0.001132 True md_ensemble 4 153 156 -OG1_GB1_18 N_GB1_19 1 0.000000e+00 4.970015e-07 ; 2.657815e-01 -4.970015e-07 9.707333e-01 7.206219e-01 0.004395 0.001132 True md_ensemble 4 153 157 + CB_GB1_18 N_GB1_56 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 481 + CB_GB1_18 CD_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 486 + CB_GB1_18 OE1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 487 + CB_GB1_18 OE2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 488 + CB_GB1_18 C_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 489 + CB_GB1_18 O1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 490 + CB_GB1_18 O2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 152 491 +OG1_GB1_18 CG2_GB1_18 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 154 +OG1_GB1_18 O_GB1_18 1 0.000000e+00 3.371218e-07 ; 2.573222e-01 -3.371218e-07 7.897287e-01 7.174036e-01 0.004395 0.001132 True md_ensemble 4 153 156 +OG1_GB1_18 N_GB1_19 1 0.000000e+00 4.969954e-07 ; 2.657813e-01 -4.969954e-07 9.707333e-01 7.206219e-01 0.004395 0.001132 True md_ensemble 4 153 157 OG1_GB1_18 H_GB1_19 1 1.125812e-05 3.606924e-10 ; 1.782154e-01 8.784861e-02 9.173450e-01 1.671188e-01 0.004395 0.001132 True md_ensemble 5 153 158 -OG1_GB1_18 CA_GB1_19 1 0.000000e+00 3.484865e-06 ; 3.126155e-01 -3.484865e-06 9.633364e-01 5.709069e-01 0.004395 0.001132 True md_ensemble 5 153 159 -OG1_GB1_18 CB_GB1_19 1 0.000000e+00 2.721687e-06 ; 3.062421e-01 -2.721687e-06 1.472245e-01 1.250156e-01 0.004395 0.001132 True md_ensemble 6 153 160 -OG1_GB1_18 CG_GB1_19 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 161 +OG1_GB1_18 CA_GB1_19 1 0.000000e+00 3.484853e-06 ; 3.126154e-01 -3.484853e-06 9.633364e-01 5.709069e-01 0.004395 0.001132 True md_ensemble 5 153 159 +OG1_GB1_18 CB_GB1_19 1 0.000000e+00 2.721646e-06 ; 3.062417e-01 -2.721646e-06 1.472245e-01 1.250156e-01 0.004395 0.001132 True md_ensemble 6 153 160 +OG1_GB1_18 CG_GB1_19 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 161 OG1_GB1_18 C_GB1_19 1 1.387985e-03 3.815938e-06 ; 3.742853e-01 1.262143e-01 7.630714e-01 6.608400e-02 0.004395 0.001132 True md_ensemble 6 153 165 OG1_GB1_18 O_GB1_19 1 8.535797e-04 6.729071e-07 ; 3.039381e-01 2.706905e-01 6.497364e-01 3.501272e-02 0.004395 0.011584 True md_ensemble 7 153 166 OG1_GB1_18 H_GB1_20 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 168 -OG1_GB1_18 CA_GB1_20 1 0.000000e+00 6.168112e-06 ; 3.278494e-01 -6.168112e-06 3.051621e-02 1.058987e-01 0.004395 0.008483 True md_ensemble 7 153 169 -OG1_GB1_18 CB_GB1_20 1 0.000000e+00 2.101532e-06 ; 2.997135e-01 -2.101532e-06 5.300448e-02 6.485172e-02 0.004395 0.001132 True md_ensemble 7 153 170 +OG1_GB1_18 CA_GB1_20 1 0.000000e+00 6.168091e-06 ; 3.278493e-01 -6.168091e-06 3.051621e-02 1.058987e-01 0.004395 0.008483 True md_ensemble 7 153 169 +OG1_GB1_18 CB_GB1_20 1 0.000000e+00 2.101508e-06 ; 2.997132e-01 -2.101508e-06 5.300448e-02 6.485172e-02 0.004395 0.001132 True md_ensemble 7 153 170 OG1_GB1_18 H_GB1_21 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 174 -OG1_GB1_18 CB_GB1_21 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 176 -OG1_GB1_18 CG1_GB1_21 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 177 -OG1_GB1_18 CG2_GB1_21 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 178 +OG1_GB1_18 CB_GB1_21 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 176 +OG1_GB1_18 CG1_GB1_21 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 177 +OG1_GB1_18 CG2_GB1_21 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 178 OG1_GB1_18 H_GB1_22 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 182 -OG1_GB1_18 CB_GB1_22 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 184 +OG1_GB1_18 CB_GB1_22 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 184 OG1_GB1_18 H_GB1_23 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 191 -OG1_GB1_18 CB_GB1_23 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 193 +OG1_GB1_18 CB_GB1_23 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 193 OG1_GB1_18 H_GB1_24 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 197 -OG1_GB1_18 CB_GB1_24 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 199 +OG1_GB1_18 CB_GB1_24 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 199 OG1_GB1_18 H_GB1_25 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 203 -OG1_GB1_18 CB_GB1_25 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 205 -OG1_GB1_18 CG2_GB1_25 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 207 +OG1_GB1_18 CB_GB1_25 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 205 +OG1_GB1_18 CG2_GB1_25 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 207 OG1_GB1_18 H_GB1_26 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 211 OG1_GB1_18 CA_GB1_26 1 6.183359e-03 4.720455e-05 ; 4.437379e-01 2.024907e-01 5.731526e-02 2.028248e-03 0.004395 0.008483 True md_ensemble 7 153 212 -OG1_GB1_18 CB_GB1_26 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 213 +OG1_GB1_18 CB_GB1_26 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 213 OG1_GB1_18 H_GB1_27 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 217 -OG1_GB1_18 CB_GB1_27 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 219 -OG1_GB1_18 CG_GB1_27 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 220 +OG1_GB1_18 CB_GB1_27 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 219 +OG1_GB1_18 CG_GB1_27 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 220 OG1_GB1_18 H_GB1_28 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 227 -OG1_GB1_18 CB_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 229 -OG1_GB1_18 CG_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 230 -OG1_GB1_18 CD_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 231 -OG1_GB1_18 CE_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 232 +OG1_GB1_18 CB_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 229 +OG1_GB1_18 CG_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 230 +OG1_GB1_18 CD_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 231 +OG1_GB1_18 CE_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 232 OG1_GB1_18 H_GB1_29 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 237 OG1_GB1_18 CA_GB1_29 1 3.846664e-03 3.315424e-05 ; 4.528028e-01 1.115756e-01 9.838972e-03 2.941583e-04 0.004395 0.008483 True md_ensemble 7 153 238 OG1_GB1_18 CB_GB1_29 1 4.349010e-03 1.452609e-05 ; 3.866278e-01 3.255158e-01 6.221466e-01 8.138560e-04 0.004395 0.001132 True md_ensemble 7 153 239 OG1_GB1_18 CG1_GB1_29 1 1.576352e-03 1.938593e-06 ; 3.273198e-01 3.204498e-01 5.639588e-01 7.565807e-04 0.004395 0.001132 True md_ensemble 7 153 240 OG1_GB1_18 CG2_GB1_29 1 1.769028e-03 2.541468e-06 ; 3.359116e-01 3.078399e-01 5.090015e-01 1.304159e-03 0.004395 0.001132 True md_ensemble 7 153 241 OG1_GB1_18 H_GB1_30 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 245 -OG1_GB1_18 CB_GB1_30 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 247 +OG1_GB1_18 CB_GB1_30 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 247 OG1_GB1_18 CG_GB1_30 1 9.390957e-04 2.025751e-06 ; 3.594563e-01 1.088363e-01 9.330172e-03 6.748370e-04 0.004395 0.015244 True md_ensemble 7 153 248 OG1_GB1_18 CD1_GB1_30 1 7.497402e-04 8.040079e-07 ; 3.199324e-01 1.747839e-01 3.349923e-02 1.015289e-03 0.004395 0.015244 True md_ensemble 7 153 249 OG1_GB1_18 CD2_GB1_30 1 7.497402e-04 8.040079e-07 ; 3.199324e-01 1.747839e-01 3.349923e-02 1.015289e-03 0.004395 0.015244 True md_ensemble 7 153 250 @@ -23969,81 +23969,81 @@ OG1_GB1_18 CE1_GB1_30 1 4.083160e-04 1.877041e-07 ; 2.778089e-01 2.220542e- OG1_GB1_18 CE2_GB1_30 1 4.083160e-04 1.877041e-07 ; 2.778089e-01 2.220542e-01 8.374439e-02 1.897507e-03 0.004395 0.015244 True md_ensemble 7 153 252 OG1_GB1_18 CZ_GB1_30 1 4.579473e-04 2.836893e-07 ; 2.919698e-01 1.848111e-01 4.068591e-02 2.143743e-03 0.004395 0.015244 True md_ensemble 7 153 253 OG1_GB1_18 H_GB1_31 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 257 -OG1_GB1_18 CB_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 259 -OG1_GB1_18 CG_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 260 -OG1_GB1_18 CD_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 261 -OG1_GB1_18 CE_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 262 +OG1_GB1_18 CB_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 259 +OG1_GB1_18 CG_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 260 +OG1_GB1_18 CD_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 261 +OG1_GB1_18 CE_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 262 OG1_GB1_18 H_GB1_32 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 267 -OG1_GB1_18 CB_GB1_32 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 269 -OG1_GB1_18 CG_GB1_32 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 270 +OG1_GB1_18 CB_GB1_32 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 269 +OG1_GB1_18 CG_GB1_32 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 270 OG1_GB1_18 H_GB1_33 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 277 -OG1_GB1_18 CB_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 279 +OG1_GB1_18 CB_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 279 OG1_GB1_18 H_GB1_34 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 290 -OG1_GB1_18 CB_GB1_34 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 292 +OG1_GB1_18 CB_GB1_34 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 292 OG1_GB1_18 H_GB1_35 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 296 -OG1_GB1_18 CB_GB1_35 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 298 +OG1_GB1_18 CB_GB1_35 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 298 OG1_GB1_18 H_GB1_36 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 305 -OG1_GB1_18 CB_GB1_36 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 307 +OG1_GB1_18 CB_GB1_36 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 307 OG1_GB1_18 H_GB1_37 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 314 -OG1_GB1_18 CB_GB1_37 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 316 +OG1_GB1_18 CB_GB1_37 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 316 OG1_GB1_18 H_GB1_38 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 323 -OG1_GB1_18 CA_GB1_38 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 324 +OG1_GB1_18 CA_GB1_38 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 324 OG1_GB1_18 H_GB1_39 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 328 -OG1_GB1_18 CB_GB1_39 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 330 -OG1_GB1_18 CG1_GB1_39 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 331 -OG1_GB1_18 CG2_GB1_39 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 332 +OG1_GB1_18 CB_GB1_39 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 330 +OG1_GB1_18 CG1_GB1_39 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 331 +OG1_GB1_18 CG2_GB1_39 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 332 OG1_GB1_18 H_GB1_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 336 -OG1_GB1_18 CB_GB1_40 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 338 +OG1_GB1_18 CB_GB1_40 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 338 OG1_GB1_18 H_GB1_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 345 -OG1_GB1_18 CA_GB1_41 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 346 +OG1_GB1_18 CA_GB1_41 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 346 OG1_GB1_18 H_GB1_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 350 -OG1_GB1_18 CB_GB1_42 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 352 -OG1_GB1_18 CG_GB1_42 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 353 +OG1_GB1_18 CB_GB1_42 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 352 +OG1_GB1_18 CG_GB1_42 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 353 OG1_GB1_18 H_GB1_43 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 360 -OG1_GB1_18 CB_GB1_43 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 362 +OG1_GB1_18 CB_GB1_43 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 362 OG1_GB1_18 H_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 375 -OG1_GB1_18 CB_GB1_44 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 377 -OG1_GB1_18 CG2_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 379 +OG1_GB1_18 CB_GB1_44 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 377 +OG1_GB1_18 CG2_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 379 OG1_GB1_18 H_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 383 -OG1_GB1_18 CB_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 385 +OG1_GB1_18 CB_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 385 OG1_GB1_18 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 396 -OG1_GB1_18 CB_GB1_46 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 398 +OG1_GB1_18 CB_GB1_46 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 398 OG1_GB1_18 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 405 -OG1_GB1_18 CB_GB1_47 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 407 +OG1_GB1_18 CB_GB1_47 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 407 OG1_GB1_18 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 414 -OG1_GB1_18 CB_GB1_48 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 416 +OG1_GB1_18 CB_GB1_48 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 416 OG1_GB1_18 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 420 -OG1_GB1_18 CB_GB1_49 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 422 -OG1_GB1_18 CG2_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 424 +OG1_GB1_18 CB_GB1_49 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 422 +OG1_GB1_18 CG2_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 424 OG1_GB1_18 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 428 -OG1_GB1_18 CB_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 430 -OG1_GB1_18 CG_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 431 -OG1_GB1_18 CD_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 432 -OG1_GB1_18 CE_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 433 +OG1_GB1_18 CB_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 430 +OG1_GB1_18 CG_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 431 +OG1_GB1_18 CD_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 432 +OG1_GB1_18 CE_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 433 OG1_GB1_18 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 438 -OG1_GB1_18 CB_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 440 -OG1_GB1_18 CG2_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 442 +OG1_GB1_18 CB_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 440 +OG1_GB1_18 CG2_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 442 OG1_GB1_18 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 446 -OG1_GB1_18 CB_GB1_52 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 448 +OG1_GB1_18 CB_GB1_52 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 448 OG1_GB1_18 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 458 -OG1_GB1_18 CB_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 460 -OG1_GB1_18 CG2_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 462 +OG1_GB1_18 CB_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 460 +OG1_GB1_18 CG2_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 462 OG1_GB1_18 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 466 -OG1_GB1_18 CB_GB1_54 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 468 -OG1_GB1_18 CG1_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 469 -OG1_GB1_18 CG2_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 470 +OG1_GB1_18 CB_GB1_54 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 468 +OG1_GB1_18 CG1_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 469 +OG1_GB1_18 CG2_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 470 OG1_GB1_18 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 474 -OG1_GB1_18 CB_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 476 -OG1_GB1_18 CG2_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 478 +OG1_GB1_18 CB_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 476 +OG1_GB1_18 CG2_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 478 OG1_GB1_18 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 482 -OG1_GB1_18 CB_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 484 -OG1_GB1_18 CG_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 485 -CG2_GB1_18 C_GB1_18 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 155 +OG1_GB1_18 CB_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 484 +OG1_GB1_18 CG_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 153 485 +CG2_GB1_18 C_GB1_18 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 155 CG2_GB1_18 O_GB1_18 1 0.000000e+00 1.349232e-06 ; 2.888477e-01 -1.349232e-06 1.000000e+00 8.971005e-01 0.004395 0.001132 True md_ensemble 4 154 156 -CG2_GB1_18 N_GB1_19 1 0.000000e+00 2.593728e-06 ; 3.050156e-01 -2.593728e-06 1.000000e+00 9.456063e-01 0.004395 0.001132 True md_ensemble 4 154 157 +CG2_GB1_18 N_GB1_19 1 0.000000e+00 2.593704e-06 ; 3.050154e-01 -2.593704e-06 1.000000e+00 9.456063e-01 0.004395 0.001132 True md_ensemble 4 154 157 CG2_GB1_18 CA_GB1_19 1 0.000000e+00 1.453762e-05 ; 3.521298e-01 -1.453762e-05 1.000000e+00 6.124222e-01 0.004395 0.001132 True md_ensemble 5 154 159 -CG2_GB1_18 CB_GB1_19 1 0.000000e+00 1.253540e-05 ; 3.478082e-01 -1.253540e-05 6.024402e-02 1.484042e-01 0.004395 0.001132 True md_ensemble 6 154 160 -CG2_GB1_18 CD_GB1_19 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 162 +CG2_GB1_18 CB_GB1_19 1 0.000000e+00 1.253525e-05 ; 3.478079e-01 -1.253525e-05 6.024402e-02 1.484042e-01 0.004395 0.001132 True md_ensemble 6 154 160 +CG2_GB1_18 CD_GB1_19 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 162 CG2_GB1_18 OE1_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 163 CG2_GB1_18 OE2_GB1_19 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 164 CG2_GB1_18 C_GB1_19 1 1.349891e-03 4.677457e-06 ; 3.890020e-01 9.739297e-02 9.897076e-01 1.498495e-01 0.004395 0.001132 True md_ensemble 6 154 165 @@ -24051,25 +24051,25 @@ CG2_GB1_18 O_GB1_19 1 1.515480e-03 2.623308e-06 ; 3.465106e-01 2.188724e- CG2_GB1_18 N_GB1_20 1 1.490707e-03 7.267626e-06 ; 4.117814e-01 7.644196e-02 4.914765e-01 1.116905e-01 0.004395 0.001132 True md_ensemble 7 154 167 CG2_GB1_18 CA_GB1_20 1 9.504909e-03 1.074914e-04 ; 4.737737e-01 2.101175e-01 8.784853e-01 1.422392e-01 0.004395 0.010759 True md_ensemble 7 154 169 CG2_GB1_18 CB_GB1_20 1 3.890238e-03 1.410881e-05 ; 3.919696e-01 2.681648e-01 9.398019e-01 9.511643e-02 0.004395 0.020717 True md_ensemble 7 154 170 -CG2_GB1_18 C_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 171 +CG2_GB1_18 C_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 171 CG2_GB1_18 O_GB1_20 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 172 -CG2_GB1_18 N_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 173 -CG2_GB1_18 C_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 179 +CG2_GB1_18 N_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 173 +CG2_GB1_18 C_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 179 CG2_GB1_18 O_GB1_21 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 180 -CG2_GB1_18 N_GB1_22 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 181 -CG2_GB1_18 CG_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 185 +CG2_GB1_18 N_GB1_22 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 181 +CG2_GB1_18 CG_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 185 CG2_GB1_18 OD1_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 186 CG2_GB1_18 OD2_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 187 -CG2_GB1_18 C_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 188 +CG2_GB1_18 C_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 188 CG2_GB1_18 O_GB1_22 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 189 -CG2_GB1_18 N_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 190 -CG2_GB1_18 C_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 194 +CG2_GB1_18 N_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 190 +CG2_GB1_18 C_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 194 CG2_GB1_18 O_GB1_23 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 195 -CG2_GB1_18 N_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 196 -CG2_GB1_18 C_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 200 +CG2_GB1_18 N_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 196 +CG2_GB1_18 C_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 200 CG2_GB1_18 O_GB1_24 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 201 -CG2_GB1_18 N_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 202 -CG2_GB1_18 OG1_GB1_25 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 206 +CG2_GB1_18 N_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 202 +CG2_GB1_18 OG1_GB1_25 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 206 CG2_GB1_18 C_GB1_25 1 3.027668e-03 2.467906e-05 ; 4.486112e-01 9.285981e-02 6.845423e-03 8.950475e-04 0.004395 0.001132 True md_ensemble 7 154 208 CG2_GB1_18 O_GB1_25 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 209 CG2_GB1_18 N_GB1_26 1 5.638364e-03 3.520896e-05 ; 4.291245e-01 2.257320e-01 8.993210e-02 6.238953e-04 0.004395 0.001132 True md_ensemble 7 154 210 @@ -24077,24 +24077,24 @@ CG2_GB1_18 CA_GB1_26 1 3.349767e-03 8.034901e-06 ; 3.658707e-01 3.491312e- CG2_GB1_18 CB_GB1_26 1 2.174486e-03 3.402849e-06 ; 3.407331e-01 3.473845e-01 9.505669e-01 6.536661e-03 0.004395 0.020717 True md_ensemble 7 154 213 CG2_GB1_18 C_GB1_26 1 6.492570e-03 3.226617e-05 ; 4.130999e-01 3.266073e-01 6.354489e-01 1.104211e-03 0.004395 0.001132 True md_ensemble 7 154 214 CG2_GB1_18 O_GB1_26 1 3.065754e-03 7.448166e-06 ; 3.666503e-01 3.154753e-01 5.121204e-01 1.103770e-03 0.004395 0.007862 True md_ensemble 7 154 215 -CG2_GB1_18 N_GB1_27 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 216 -CG2_GB1_18 CD_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 221 +CG2_GB1_18 N_GB1_27 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 216 +CG2_GB1_18 CD_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 221 CG2_GB1_18 OE1_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 222 CG2_GB1_18 OE2_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 223 -CG2_GB1_18 C_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 224 +CG2_GB1_18 C_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 224 CG2_GB1_18 O_GB1_27 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 225 -CG2_GB1_18 N_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 226 -CG2_GB1_18 NZ_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 233 -CG2_GB1_18 C_GB1_28 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 234 +CG2_GB1_18 N_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 226 +CG2_GB1_18 NZ_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 233 +CG2_GB1_18 C_GB1_28 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 234 CG2_GB1_18 O_GB1_28 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 235 -CG2_GB1_18 N_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 236 +CG2_GB1_18 N_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 236 CG2_GB1_18 CA_GB1_29 1 1.837426e-02 3.033714e-04 ; 5.046157e-01 2.782180e-01 2.487374e-01 1.751676e-03 0.004395 0.010759 True md_ensemble 7 154 238 CG2_GB1_18 CB_GB1_29 1 6.438278e-03 3.004091e-05 ; 4.087809e-01 3.449582e-01 9.068968e-01 2.947865e-03 0.004395 0.010759 True md_ensemble 7 154 239 CG2_GB1_18 CG1_GB1_29 1 3.016646e-03 6.985821e-06 ; 3.637326e-01 3.256651e-01 6.239497e-01 2.139830e-03 0.004395 0.020717 True md_ensemble 7 154 240 CG2_GB1_18 CG2_GB1_29 1 2.907323e-03 6.375235e-06 ; 3.604407e-01 3.314595e-01 6.981138e-01 2.451516e-03 0.004395 0.020717 True md_ensemble 7 154 241 -CG2_GB1_18 C_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 242 +CG2_GB1_18 C_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 242 CG2_GB1_18 O_GB1_29 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 243 -CG2_GB1_18 N_GB1_30 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 244 +CG2_GB1_18 N_GB1_30 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 244 CG2_GB1_18 CA_GB1_30 1 1.273325e-02 2.424143e-04 ; 5.167373e-01 1.672094e-01 2.892497e-02 1.684603e-03 0.004395 0.010759 True md_ensemble 7 154 246 CG2_GB1_18 CB_GB1_30 1 7.959577e-03 1.071867e-04 ; 4.877626e-01 1.477675e-01 1.984322e-02 2.039003e-03 0.004395 0.012151 True md_ensemble 7 154 247 CG2_GB1_18 CG_GB1_30 1 7.696703e-03 4.535559e-05 ; 4.249988e-01 3.265266e-01 6.344566e-01 1.976345e-03 0.004395 0.020719 True md_ensemble 7 154 248 @@ -24103,210 +24103,210 @@ CG2_GB1_18 CD2_GB1_30 1 4.830016e-03 1.681627e-05 ; 3.893112e-01 3.468226e- CG2_GB1_18 CE1_GB1_30 1 1.562523e-03 1.746523e-06 ; 3.221499e-01 3.494772e-01 9.899173e-01 3.767085e-03 0.004395 0.020719 True md_ensemble 7 154 251 CG2_GB1_18 CE2_GB1_30 1 1.562523e-03 1.746523e-06 ; 3.221499e-01 3.494772e-01 9.899173e-01 3.767085e-03 0.004395 0.020719 True md_ensemble 7 154 252 CG2_GB1_18 CZ_GB1_30 1 1.150572e-03 9.467289e-07 ; 3.061155e-01 3.495765e-01 9.918253e-01 4.307923e-03 0.004395 0.020719 True md_ensemble 7 154 253 -CG2_GB1_18 C_GB1_30 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 254 +CG2_GB1_18 C_GB1_30 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 254 CG2_GB1_18 O_GB1_30 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 255 -CG2_GB1_18 N_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 256 -CG2_GB1_18 NZ_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 263 -CG2_GB1_18 C_GB1_31 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 264 +CG2_GB1_18 N_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 256 +CG2_GB1_18 NZ_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 263 +CG2_GB1_18 C_GB1_31 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 264 CG2_GB1_18 O_GB1_31 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 265 -CG2_GB1_18 N_GB1_32 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 266 -CG2_GB1_18 CD_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 271 +CG2_GB1_18 N_GB1_32 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 266 +CG2_GB1_18 CD_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 271 CG2_GB1_18 OE1_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 272 -CG2_GB1_18 NE2_GB1_32 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 273 -CG2_GB1_18 C_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 274 +CG2_GB1_18 NE2_GB1_32 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 273 +CG2_GB1_18 C_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 274 CG2_GB1_18 O_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 275 -CG2_GB1_18 N_GB1_33 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 276 -CG2_GB1_18 OH_GB1_33 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 286 -CG2_GB1_18 C_GB1_33 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 287 +CG2_GB1_18 N_GB1_33 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 276 +CG2_GB1_18 OH_GB1_33 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 286 +CG2_GB1_18 C_GB1_33 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 287 CG2_GB1_18 O_GB1_33 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 288 -CG2_GB1_18 N_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 289 -CG2_GB1_18 C_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 293 +CG2_GB1_18 N_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 289 +CG2_GB1_18 C_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 293 CG2_GB1_18 O_GB1_34 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 294 -CG2_GB1_18 N_GB1_35 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 295 -CG2_GB1_18 CG_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 299 +CG2_GB1_18 N_GB1_35 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 295 +CG2_GB1_18 CG_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 299 CG2_GB1_18 OD1_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 300 -CG2_GB1_18 ND2_GB1_35 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 301 -CG2_GB1_18 C_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 302 +CG2_GB1_18 ND2_GB1_35 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 301 +CG2_GB1_18 C_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 302 CG2_GB1_18 O_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 303 -CG2_GB1_18 N_GB1_36 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 304 -CG2_GB1_18 CG_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 308 +CG2_GB1_18 N_GB1_36 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 304 +CG2_GB1_18 CG_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 308 CG2_GB1_18 OD1_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 309 CG2_GB1_18 OD2_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 310 -CG2_GB1_18 C_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 311 +CG2_GB1_18 C_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 311 CG2_GB1_18 O_GB1_36 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 312 -CG2_GB1_18 N_GB1_37 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 313 -CG2_GB1_18 CG_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 317 +CG2_GB1_18 N_GB1_37 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 313 +CG2_GB1_18 CG_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 317 CG2_GB1_18 OD1_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 318 -CG2_GB1_18 ND2_GB1_37 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 319 -CG2_GB1_18 C_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 320 +CG2_GB1_18 ND2_GB1_37 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 319 +CG2_GB1_18 C_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 320 CG2_GB1_18 O_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 321 -CG2_GB1_18 N_GB1_38 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 322 -CG2_GB1_18 C_GB1_38 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 325 +CG2_GB1_18 N_GB1_38 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 322 +CG2_GB1_18 C_GB1_38 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 325 CG2_GB1_18 O_GB1_38 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 326 -CG2_GB1_18 N_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 327 -CG2_GB1_18 C_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 333 +CG2_GB1_18 N_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 327 +CG2_GB1_18 C_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 333 CG2_GB1_18 O_GB1_39 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 334 -CG2_GB1_18 N_GB1_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 335 -CG2_GB1_18 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 339 +CG2_GB1_18 N_GB1_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 335 +CG2_GB1_18 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 339 CG2_GB1_18 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 340 CG2_GB1_18 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 341 -CG2_GB1_18 C_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 342 +CG2_GB1_18 C_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 342 CG2_GB1_18 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 343 -CG2_GB1_18 N_GB1_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 344 -CG2_GB1_18 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 347 +CG2_GB1_18 N_GB1_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 344 +CG2_GB1_18 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 347 CG2_GB1_18 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 348 -CG2_GB1_18 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 349 -CG2_GB1_18 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 354 +CG2_GB1_18 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 349 +CG2_GB1_18 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 354 CG2_GB1_18 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 355 CG2_GB1_18 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 356 -CG2_GB1_18 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 357 +CG2_GB1_18 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 357 CG2_GB1_18 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 358 -CG2_GB1_18 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 359 -CG2_GB1_18 NE1_GB1_43 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 366 -CG2_GB1_18 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 372 +CG2_GB1_18 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 359 +CG2_GB1_18 NE1_GB1_43 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 366 +CG2_GB1_18 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 372 CG2_GB1_18 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 373 -CG2_GB1_18 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 374 -CG2_GB1_18 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 378 -CG2_GB1_18 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 380 +CG2_GB1_18 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 374 +CG2_GB1_18 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 378 +CG2_GB1_18 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 380 CG2_GB1_18 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 381 -CG2_GB1_18 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 382 -CG2_GB1_18 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 392 -CG2_GB1_18 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 393 +CG2_GB1_18 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 382 +CG2_GB1_18 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 392 +CG2_GB1_18 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 393 CG2_GB1_18 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 394 -CG2_GB1_18 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 395 -CG2_GB1_18 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 399 +CG2_GB1_18 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 395 +CG2_GB1_18 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 399 CG2_GB1_18 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 400 CG2_GB1_18 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 401 -CG2_GB1_18 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 402 +CG2_GB1_18 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 402 CG2_GB1_18 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 403 -CG2_GB1_18 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 404 -CG2_GB1_18 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 408 +CG2_GB1_18 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 404 +CG2_GB1_18 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 408 CG2_GB1_18 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 409 CG2_GB1_18 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 410 -CG2_GB1_18 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 411 +CG2_GB1_18 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 411 CG2_GB1_18 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 412 -CG2_GB1_18 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 413 -CG2_GB1_18 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 417 +CG2_GB1_18 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 413 +CG2_GB1_18 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 417 CG2_GB1_18 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 418 -CG2_GB1_18 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 419 -CG2_GB1_18 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 423 -CG2_GB1_18 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 425 +CG2_GB1_18 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 419 +CG2_GB1_18 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 423 +CG2_GB1_18 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 425 CG2_GB1_18 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 426 -CG2_GB1_18 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 427 -CG2_GB1_18 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 434 -CG2_GB1_18 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 435 +CG2_GB1_18 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 427 +CG2_GB1_18 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 434 +CG2_GB1_18 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 435 CG2_GB1_18 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 436 -CG2_GB1_18 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 437 -CG2_GB1_18 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 441 -CG2_GB1_18 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 443 +CG2_GB1_18 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 437 +CG2_GB1_18 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 441 +CG2_GB1_18 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 443 CG2_GB1_18 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 444 -CG2_GB1_18 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 445 -CG2_GB1_18 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 455 +CG2_GB1_18 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 445 +CG2_GB1_18 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 455 CG2_GB1_18 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 456 -CG2_GB1_18 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 457 -CG2_GB1_18 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 461 -CG2_GB1_18 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 463 +CG2_GB1_18 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 457 +CG2_GB1_18 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 461 +CG2_GB1_18 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 463 CG2_GB1_18 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 464 -CG2_GB1_18 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 465 -CG2_GB1_18 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 471 +CG2_GB1_18 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 465 +CG2_GB1_18 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 471 CG2_GB1_18 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 472 -CG2_GB1_18 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 473 -CG2_GB1_18 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 477 -CG2_GB1_18 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 479 +CG2_GB1_18 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 473 +CG2_GB1_18 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 477 +CG2_GB1_18 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 479 CG2_GB1_18 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 480 -CG2_GB1_18 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 481 -CG2_GB1_18 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 486 +CG2_GB1_18 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 481 +CG2_GB1_18 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 486 CG2_GB1_18 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 487 CG2_GB1_18 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 488 -CG2_GB1_18 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 489 +CG2_GB1_18 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 489 CG2_GB1_18 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 490 CG2_GB1_18 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 154 491 - C_GB1_18 CB_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 160 - C_GB1_18 CG_GB1_19 1 0.000000e+00 6.334236e-06 ; 3.285763e-01 -6.334236e-06 9.993688e-01 9.994122e-01 0.004395 0.001132 True md_ensemble 4 155 161 - C_GB1_18 CD_GB1_19 1 0.000000e+00 2.886344e-06 ; 3.077448e-01 -2.886344e-06 1.201867e-02 1.227618e-01 0.004395 0.001132 True md_ensemble 5 155 162 + C_GB1_18 CB_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 160 + C_GB1_18 CG_GB1_19 1 0.000000e+00 6.334130e-06 ; 3.285758e-01 -6.334130e-06 9.993688e-01 9.994122e-01 0.004395 0.001132 True md_ensemble 4 155 161 + C_GB1_18 CD_GB1_19 1 0.000000e+00 2.886293e-06 ; 3.077443e-01 -2.886293e-06 1.201867e-02 1.227618e-01 0.004395 0.001132 True md_ensemble 5 155 162 C_GB1_18 OE1_GB1_19 1 0.000000e+00 6.694014e-07 ; 2.724597e-01 -6.694014e-07 2.249370e-03 1.581339e-02 0.004395 0.001132 True md_ensemble 6 155 163 C_GB1_18 OE2_GB1_19 1 0.000000e+00 6.694014e-07 ; 2.724597e-01 -6.694014e-07 1.364578e-03 1.684397e-02 0.004395 0.001132 True md_ensemble 6 155 164 - C_GB1_18 O_GB1_19 1 0.000000e+00 6.809931e-07 ; 2.728498e-01 -6.809931e-07 9.992602e-01 8.227671e-01 0.004395 0.001132 True md_ensemble 4 155 166 - C_GB1_18 N_GB1_20 1 0.000000e+00 1.469438e-06 ; 2.909093e-01 -1.469438e-06 9.998989e-01 9.742313e-01 0.004395 0.001132 True md_ensemble 4 155 167 - C_GB1_18 CA_GB1_20 1 0.000000e+00 1.153400e-05 ; 3.454034e-01 -1.153400e-05 9.875891e-01 8.712943e-01 0.004395 0.001132 True md_ensemble 5 155 169 - C_GB1_18 CB_GB1_20 1 0.000000e+00 3.480559e-06 ; 3.125833e-01 -3.480559e-06 4.996697e-01 2.361220e-01 0.004395 0.001132 True md_ensemble 6 155 170 + C_GB1_18 O_GB1_19 1 0.000000e+00 6.809900e-07 ; 2.728496e-01 -6.809900e-07 9.992602e-01 8.227671e-01 0.004395 0.001132 True md_ensemble 4 155 166 + C_GB1_18 N_GB1_20 1 0.000000e+00 1.469417e-06 ; 2.909090e-01 -1.469417e-06 9.998989e-01 9.742313e-01 0.004395 0.001132 True md_ensemble 4 155 167 + C_GB1_18 CA_GB1_20 1 0.000000e+00 1.153394e-05 ; 3.454033e-01 -1.153394e-05 9.875891e-01 8.712943e-01 0.004395 0.001132 True md_ensemble 5 155 169 + C_GB1_18 CB_GB1_20 1 0.000000e+00 3.480513e-06 ; 3.125829e-01 -3.480513e-06 4.996697e-01 2.361220e-01 0.004395 0.001132 True md_ensemble 6 155 170 C_GB1_18 C_GB1_20 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 0.000000e+00 1.506280e-01 0.004395 0.001132 True md_ensemble 6 155 171 - C_GB1_18 CB_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 176 - C_GB1_18 CG1_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 177 - C_GB1_18 CG2_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 178 - C_GB1_18 CB_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 184 - C_GB1_18 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 193 - C_GB1_18 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 199 - C_GB1_18 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 205 - C_GB1_18 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 207 + C_GB1_18 CB_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 176 + C_GB1_18 CG1_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 177 + C_GB1_18 CG2_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 178 + C_GB1_18 CB_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 184 + C_GB1_18 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 193 + C_GB1_18 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 199 + C_GB1_18 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 205 + C_GB1_18 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 207 C_GB1_18 CB_GB1_26 1 2.212770e-03 1.714585e-05 ; 4.448400e-01 7.139262e-02 6.444857e-03 1.615221e-03 0.004395 0.001132 True md_ensemble 7 155 213 - C_GB1_18 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 219 - C_GB1_18 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 220 - C_GB1_18 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 229 - C_GB1_18 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 230 - C_GB1_18 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 231 - C_GB1_18 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 232 - C_GB1_18 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 239 - C_GB1_18 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 240 - C_GB1_18 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 241 - C_GB1_18 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 247 + C_GB1_18 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 219 + C_GB1_18 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 220 + C_GB1_18 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 229 + C_GB1_18 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 230 + C_GB1_18 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 231 + C_GB1_18 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 232 + C_GB1_18 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 239 + C_GB1_18 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 240 + C_GB1_18 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 241 + C_GB1_18 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 247 C_GB1_18 CZ_GB1_30 1 5.036971e-03 3.296920e-05 ; 4.325037e-01 1.923846e-01 4.711920e-02 1.259999e-03 0.004395 0.015243 True md_ensemble 7 155 253 - C_GB1_18 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 259 - C_GB1_18 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 260 - C_GB1_18 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 261 - C_GB1_18 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 262 - C_GB1_18 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 269 - C_GB1_18 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 270 - C_GB1_18 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 279 - C_GB1_18 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 292 - C_GB1_18 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 298 - C_GB1_18 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 307 - C_GB1_18 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 316 - C_GB1_18 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 324 - C_GB1_18 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 330 - C_GB1_18 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 331 - C_GB1_18 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 332 - C_GB1_18 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 338 - C_GB1_18 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 346 - C_GB1_18 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 352 - C_GB1_18 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 353 - C_GB1_18 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 362 - C_GB1_18 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 377 - C_GB1_18 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 379 - C_GB1_18 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 385 - C_GB1_18 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 398 - C_GB1_18 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 407 - C_GB1_18 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 416 - C_GB1_18 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 422 - C_GB1_18 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 424 - C_GB1_18 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 430 - C_GB1_18 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 431 - C_GB1_18 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 432 - C_GB1_18 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 433 - C_GB1_18 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 440 - C_GB1_18 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 442 - C_GB1_18 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 448 - C_GB1_18 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 460 - C_GB1_18 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 462 - C_GB1_18 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 468 - C_GB1_18 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 469 - C_GB1_18 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 470 - C_GB1_18 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 476 - C_GB1_18 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 478 - C_GB1_18 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 484 - C_GB1_18 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 485 + C_GB1_18 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 259 + C_GB1_18 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 260 + C_GB1_18 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 261 + C_GB1_18 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 262 + C_GB1_18 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 269 + C_GB1_18 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 270 + C_GB1_18 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 279 + C_GB1_18 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 292 + C_GB1_18 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 298 + C_GB1_18 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 307 + C_GB1_18 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 316 + C_GB1_18 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 324 + C_GB1_18 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 330 + C_GB1_18 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 331 + C_GB1_18 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 332 + C_GB1_18 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 338 + C_GB1_18 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 346 + C_GB1_18 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 352 + C_GB1_18 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 353 + C_GB1_18 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 362 + C_GB1_18 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 377 + C_GB1_18 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 379 + C_GB1_18 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 385 + C_GB1_18 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 398 + C_GB1_18 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 407 + C_GB1_18 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 416 + C_GB1_18 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 422 + C_GB1_18 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 424 + C_GB1_18 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 430 + C_GB1_18 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 431 + C_GB1_18 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 432 + C_GB1_18 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 433 + C_GB1_18 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 440 + C_GB1_18 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 442 + C_GB1_18 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 448 + C_GB1_18 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 460 + C_GB1_18 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 462 + C_GB1_18 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 468 + C_GB1_18 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 469 + C_GB1_18 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 470 + C_GB1_18 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 476 + C_GB1_18 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 478 + C_GB1_18 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 484 + C_GB1_18 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 155 485 O_GB1_18 O_GB1_18 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 156 156 O_GB1_18 H_GB1_19 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 156 158 - O_GB1_18 CB_GB1_19 1 0.000000e+00 2.015642e-06 ; 2.986731e-01 -2.015642e-06 1.000000e+00 9.999930e-01 0.004395 0.001132 True md_ensemble 4 156 160 - O_GB1_18 CG_GB1_19 1 0.000000e+00 2.972825e-06 ; 3.085028e-01 -2.972825e-06 1.493869e-01 6.242538e-01 0.004395 0.001132 True md_ensemble 5 156 161 + O_GB1_18 CB_GB1_19 1 0.000000e+00 2.015635e-06 ; 2.986730e-01 -2.015635e-06 1.000000e+00 9.999930e-01 0.004395 0.001132 True md_ensemble 4 156 160 + O_GB1_18 CG_GB1_19 1 0.000000e+00 2.972814e-06 ; 3.085027e-01 -2.972814e-06 1.493869e-01 6.242538e-01 0.004395 0.001132 True md_ensemble 5 156 161 O_GB1_18 CD_GB1_19 1 0.000000e+00 8.269429e-07 ; 2.773009e-01 -8.269429e-07 1.993925e-03 3.459886e-02 0.004395 0.001132 True md_ensemble 6 156 162 O_GB1_18 OE1_GB1_19 1 0.000000e+00 1.529333e-06 ; 2.918794e-01 -1.529333e-06 1.926139e-02 3.881639e-02 0.004395 0.001132 True md_ensemble 7 156 163 O_GB1_18 OE2_GB1_19 1 0.000000e+00 1.529333e-06 ; 2.918794e-01 -1.529333e-06 1.926139e-02 3.881639e-02 0.004395 0.001132 True md_ensemble 7 156 164 - O_GB1_18 C_GB1_19 1 0.000000e+00 8.203298e-07 ; 2.771154e-01 -8.203298e-07 9.999999e-01 9.920029e-01 0.004395 0.001132 True md_ensemble 4 156 165 + O_GB1_18 C_GB1_19 1 0.000000e+00 8.203260e-07 ; 2.771153e-01 -8.203260e-07 9.999999e-01 9.920029e-01 0.004395 0.001132 True md_ensemble 4 156 165 O_GB1_18 O_GB1_19 1 0.000000e+00 1.278143e-06 ; 2.875477e-01 -1.278143e-06 9.445772e-01 7.966725e-01 0.004395 0.001132 True md_ensemble 5 156 166 O_GB1_18 N_GB1_20 1 0.000000e+00 1.329836e-06 ; 2.884994e-01 -1.329836e-06 9.987113e-01 8.852689e-01 0.004395 0.001132 True md_ensemble 5 156 167 - O_GB1_18 H_GB1_20 1 0.000000e+00 1.637206e-08 ; 1.999879e-01 -1.637206e-08 1.483493e-01 2.035086e-01 0.004395 0.001132 True md_ensemble 6 156 168 - O_GB1_18 CA_GB1_20 1 0.000000e+00 3.607604e-06 ; 3.135185e-01 -3.607604e-06 7.099536e-01 5.785243e-01 0.004395 0.001132 True md_ensemble 6 156 169 + O_GB1_18 H_GB1_20 1 0.000000e+00 1.637232e-08 ; 1.999881e-01 -1.637232e-08 1.483493e-01 2.035086e-01 0.004395 0.001132 True md_ensemble 6 156 168 + O_GB1_18 CA_GB1_20 1 0.000000e+00 3.607632e-06 ; 3.135188e-01 -3.607632e-06 7.099536e-01 5.785243e-01 0.004395 0.001132 True md_ensemble 6 156 169 O_GB1_18 CB_GB1_20 1 2.059192e-03 7.536305e-06 ; 3.925638e-01 1.406615e-01 2.293741e-01 1.042935e-01 0.004395 0.007862 True md_ensemble 7 156 170 O_GB1_18 O_GB1_20 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 156 172 O_GB1_18 H_GB1_21 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 156 174 @@ -24465,121 +24465,121 @@ CG2_GB1_18 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- O_GB1_18 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 156 488 O_GB1_18 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 156 490 O_GB1_18 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 156 491 - N_GB1_19 CB_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 160 - N_GB1_19 CG_GB1_19 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 161 - N_GB1_19 CD_GB1_19 1 0.000000e+00 1.436639e-06 ; 2.903626e-01 -1.436639e-06 8.162193e-01 7.688036e-01 0.004395 0.001132 True md_ensemble 4 157 162 + N_GB1_19 CB_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 160 + N_GB1_19 CG_GB1_19 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 161 + N_GB1_19 CD_GB1_19 1 0.000000e+00 1.436619e-06 ; 2.903622e-01 -1.436619e-06 8.162193e-01 7.688036e-01 0.004395 0.001132 True md_ensemble 4 157 162 N_GB1_19 OE1_GB1_19 1 0.000000e+00 1.437081e-06 ; 2.903700e-01 -1.437081e-06 2.224865e-01 1.805405e-01 0.004395 0.001132 True md_ensemble 5 157 163 N_GB1_19 OE2_GB1_19 1 0.000000e+00 1.437081e-06 ; 2.903700e-01 -1.437081e-06 2.224865e-01 1.805405e-01 0.004395 0.001132 True md_ensemble 5 157 164 - N_GB1_19 CA_GB1_20 1 0.000000e+00 7.574493e-06 ; 3.335092e-01 -7.574493e-06 1.000000e+00 9.999338e-01 0.004395 0.001132 True md_ensemble 4 157 169 - N_GB1_19 CB_GB1_20 1 0.000000e+00 2.627092e-06 ; 3.053406e-01 -2.627092e-06 4.110227e-01 3.687927e-01 0.004395 0.001132 True md_ensemble 5 157 170 + N_GB1_19 CA_GB1_20 1 0.000000e+00 7.574481e-06 ; 3.335091e-01 -7.574481e-06 1.000000e+00 9.999338e-01 0.004395 0.001132 True md_ensemble 4 157 169 + N_GB1_19 CB_GB1_20 1 0.000000e+00 2.627068e-06 ; 3.053404e-01 -2.627068e-06 4.110227e-01 3.687927e-01 0.004395 0.001132 True md_ensemble 5 157 170 N_GB1_19 C_GB1_20 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 0.000000e+00 7.462981e-02 0.004395 0.001132 True md_ensemble 5 157 171 N_GB1_19 O_GB1_20 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 0.000000e+00 1.124187e-01 0.004395 0.001132 True md_ensemble 6 157 172 N_GB1_19 N_GB1_21 1 0.000000e+00 8.752940e-07 ; 2.786171e-01 -8.752940e-07 0.000000e+00 6.801688e-02 0.004395 0.001132 True md_ensemble 6 157 173 - N_GB1_19 CB_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 176 - N_GB1_19 CG1_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 177 - N_GB1_19 CG2_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 178 + N_GB1_19 CB_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 176 + N_GB1_19 CG1_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 177 + N_GB1_19 CG2_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 178 N_GB1_19 N_GB1_22 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 2.887630e-04 0.004395 0.001132 True md_ensemble 7 157 181 - N_GB1_19 CB_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 184 + N_GB1_19 CB_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 184 N_GB1_19 N_GB1_23 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.028515e-04 0.004395 0.001132 True md_ensemble 7 157 190 - N_GB1_19 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 193 + N_GB1_19 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 193 N_GB1_19 N_GB1_24 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 157 196 - N_GB1_19 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 199 + N_GB1_19 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 199 N_GB1_19 N_GB1_25 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 157 202 - N_GB1_19 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 205 - N_GB1_19 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 207 + N_GB1_19 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 205 + N_GB1_19 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 207 N_GB1_19 N_GB1_26 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 157 210 - N_GB1_19 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 213 + N_GB1_19 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 213 N_GB1_19 N_GB1_27 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 157 216 - N_GB1_19 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 219 - N_GB1_19 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 220 + N_GB1_19 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 219 + N_GB1_19 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 220 N_GB1_19 N_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 157 226 - N_GB1_19 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 229 - N_GB1_19 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 230 - N_GB1_19 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 231 - N_GB1_19 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 232 + N_GB1_19 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 229 + N_GB1_19 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 230 + N_GB1_19 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 231 + N_GB1_19 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 232 N_GB1_19 NZ_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 7.730289e-05 0.004395 0.001132 True md_ensemble 7 157 233 N_GB1_19 N_GB1_29 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 157 236 - N_GB1_19 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 239 - N_GB1_19 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 240 - N_GB1_19 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 241 + N_GB1_19 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 239 + N_GB1_19 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 240 + N_GB1_19 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 241 N_GB1_19 N_GB1_30 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 157 244 - N_GB1_19 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 247 + N_GB1_19 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 247 N_GB1_19 N_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 157 256 - N_GB1_19 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 259 - N_GB1_19 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 260 - N_GB1_19 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 261 - N_GB1_19 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 262 + N_GB1_19 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 259 + N_GB1_19 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 260 + N_GB1_19 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 261 + N_GB1_19 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 262 N_GB1_19 NZ_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.573266e-05 0.004395 0.001132 True md_ensemble 7 157 263 N_GB1_19 N_GB1_32 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 157 266 - N_GB1_19 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 269 - N_GB1_19 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 270 + N_GB1_19 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 269 + N_GB1_19 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 270 N_GB1_19 N_GB1_33 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 157 276 - N_GB1_19 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 279 + N_GB1_19 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 279 N_GB1_19 N_GB1_34 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 157 289 - N_GB1_19 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 292 + N_GB1_19 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 292 N_GB1_19 N_GB1_35 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 157 295 - N_GB1_19 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 298 + N_GB1_19 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 298 N_GB1_19 N_GB1_36 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 157 304 - N_GB1_19 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 307 + N_GB1_19 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 307 N_GB1_19 N_GB1_37 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 157 313 - N_GB1_19 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 316 + N_GB1_19 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 316 N_GB1_19 N_GB1_38 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 157 322 - N_GB1_19 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 324 + N_GB1_19 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 324 N_GB1_19 N_GB1_39 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 157 327 - N_GB1_19 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 330 - N_GB1_19 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 331 - N_GB1_19 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 332 + N_GB1_19 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 330 + N_GB1_19 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 331 + N_GB1_19 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 332 N_GB1_19 N_GB1_40 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 157 335 - N_GB1_19 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 338 + N_GB1_19 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 338 N_GB1_19 N_GB1_41 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 157 344 - N_GB1_19 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 346 + N_GB1_19 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 346 N_GB1_19 N_GB1_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 157 349 - N_GB1_19 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 352 - N_GB1_19 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 353 + N_GB1_19 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 352 + N_GB1_19 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 353 N_GB1_19 N_GB1_43 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 157 359 - N_GB1_19 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 362 + N_GB1_19 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 362 N_GB1_19 N_GB1_44 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 157 374 - N_GB1_19 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 377 - N_GB1_19 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 379 + N_GB1_19 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 377 + N_GB1_19 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 379 N_GB1_19 N_GB1_45 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 157 382 - N_GB1_19 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 385 + N_GB1_19 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 385 N_GB1_19 N_GB1_46 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 157 395 - N_GB1_19 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 398 + N_GB1_19 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 398 N_GB1_19 N_GB1_47 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 157 404 - N_GB1_19 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 407 + N_GB1_19 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 407 N_GB1_19 N_GB1_48 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 157 413 - N_GB1_19 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 416 + N_GB1_19 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 416 N_GB1_19 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 157 419 - N_GB1_19 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 422 - N_GB1_19 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 424 + N_GB1_19 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 422 + N_GB1_19 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 424 N_GB1_19 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 157 427 - N_GB1_19 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 430 - N_GB1_19 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 431 - N_GB1_19 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 432 - N_GB1_19 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 433 + N_GB1_19 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 430 + N_GB1_19 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 431 + N_GB1_19 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 432 + N_GB1_19 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 433 N_GB1_19 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 4.434916e-05 0.004395 0.001132 True md_ensemble 7 157 434 N_GB1_19 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 157 437 - N_GB1_19 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 440 - N_GB1_19 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 442 + N_GB1_19 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 440 + N_GB1_19 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 442 N_GB1_19 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 157 445 - N_GB1_19 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 448 + N_GB1_19 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 448 N_GB1_19 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 157 457 - N_GB1_19 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 460 - N_GB1_19 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 462 + N_GB1_19 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 460 + N_GB1_19 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 462 N_GB1_19 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 157 465 - N_GB1_19 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 468 - N_GB1_19 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 469 - N_GB1_19 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 470 + N_GB1_19 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 468 + N_GB1_19 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 469 + N_GB1_19 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 470 N_GB1_19 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 157 473 - N_GB1_19 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 476 - N_GB1_19 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 478 + N_GB1_19 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 476 + N_GB1_19 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 478 N_GB1_19 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 157 481 - N_GB1_19 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 484 - N_GB1_19 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 485 + N_GB1_19 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 484 + N_GB1_19 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 157 485 H_GB1_19 H_GB1_19 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 158 158 H_GB1_19 OE1_GB1_19 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 158 163 H_GB1_19 OE2_GB1_19 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 158 164 - H_GB1_19 O_GB1_19 1 0.000000e+00 6.523341e-09 ; 1.852255e-01 -6.523341e-09 8.504982e-01 2.709195e-01 0.004395 0.001132 True md_ensemble 4 158 166 + H_GB1_19 O_GB1_19 1 0.000000e+00 6.523444e-09 ; 1.852258e-01 -6.523444e-09 8.504982e-01 2.709195e-01 0.004395 0.001132 True md_ensemble 4 158 166 H_GB1_19 H_GB1_20 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 158 168 H_GB1_19 O_GB1_20 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 158 172 H_GB1_19 H_GB1_21 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 158 174 @@ -24682,411 +24682,411 @@ CG2_GB1_18 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- H_GB1_19 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 158 488 H_GB1_19 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 158 490 H_GB1_19 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 158 491 - CA_GB1_19 OE1_GB1_19 1 0.000000e+00 3.294845e-06 ; 3.111582e-01 -3.294845e-06 9.965609e-01 9.765251e-01 0.004395 0.001132 True md_ensemble 4 159 163 - CA_GB1_19 OE2_GB1_19 1 0.000000e+00 3.294845e-06 ; 3.111582e-01 -3.294845e-06 9.965609e-01 9.765251e-01 0.004395 0.001132 True md_ensemble 4 159 164 - CA_GB1_19 CB_GB1_20 1 0.000000e+00 2.373797e-05 ; 3.668163e-01 -2.373797e-05 9.999975e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 159 170 - CA_GB1_19 C_GB1_20 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 159 171 - CA_GB1_19 O_GB1_20 1 0.000000e+00 1.416433e-06 ; 2.900200e-01 -1.416433e-06 9.922375e-01 3.332596e-01 0.004395 0.001132 True md_ensemble 5 159 172 + CA_GB1_19 OE1_GB1_19 1 0.000000e+00 3.294872e-06 ; 3.111584e-01 -3.294872e-06 9.965609e-01 9.765251e-01 0.004395 0.001132 True md_ensemble 4 159 163 + CA_GB1_19 OE2_GB1_19 1 0.000000e+00 3.294872e-06 ; 3.111584e-01 -3.294872e-06 9.965609e-01 9.765251e-01 0.004395 0.001132 True md_ensemble 4 159 164 + CA_GB1_19 CB_GB1_20 1 0.000000e+00 2.373796e-05 ; 3.668163e-01 -2.373796e-05 9.999975e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 159 170 + CA_GB1_19 C_GB1_20 1 0.000000e+00 1.305180e-05 ; 3.489803e-01 -1.305180e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 159 171 + CA_GB1_19 O_GB1_20 1 0.000000e+00 1.416445e-06 ; 2.900202e-01 -1.416445e-06 9.922375e-01 3.332596e-01 0.004395 0.001132 True md_ensemble 5 159 172 CA_GB1_19 N_GB1_21 1 0.000000e+00 7.574995e-06 ; 3.335110e-01 -7.574995e-06 1.624250e-05 7.174992e-01 0.004395 0.001132 True md_ensemble 5 159 173 CA_GB1_19 CA_GB1_21 1 0.000000e+00 6.555574e-05 ; 3.992202e-01 -6.555574e-05 8.181500e-05 6.969598e-01 0.004395 0.001132 True md_ensemble 6 159 175 - CB_GB1_19 CD_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 162 - CB_GB1_19 OE1_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 163 - CB_GB1_19 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 164 - CB_GB1_19 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 165 + CB_GB1_19 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 162 + CB_GB1_19 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 163 + CB_GB1_19 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 164 + CB_GB1_19 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 165 CB_GB1_19 O_GB1_19 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 166 - CB_GB1_19 N_GB1_20 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 167 - CB_GB1_19 CA_GB1_20 1 0.000000e+00 3.181373e-05 ; 3.758774e-01 -3.181373e-05 9.999941e-01 9.999966e-01 0.004395 0.001132 True md_ensemble 4 160 169 - CB_GB1_19 CB_GB1_20 1 0.000000e+00 1.423210e-05 ; 3.515071e-01 -1.423210e-05 2.553070e-01 4.907527e-01 0.004395 0.001132 True md_ensemble 5 160 170 - CB_GB1_19 C_GB1_20 1 0.000000e+00 7.869821e-06 ; 3.345739e-01 -7.869821e-06 7.116430e-02 3.136445e-01 0.004395 0.001132 True md_ensemble 5 160 171 - CB_GB1_19 O_GB1_20 1 0.000000e+00 2.133664e-06 ; 3.000927e-01 -2.133664e-06 5.374950e-03 6.392036e-02 0.004395 0.001132 True md_ensemble 6 160 172 - CB_GB1_19 N_GB1_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 173 - CB_GB1_19 C_GB1_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 179 + CB_GB1_19 N_GB1_20 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 167 + CB_GB1_19 CA_GB1_20 1 0.000000e+00 3.181360e-05 ; 3.758773e-01 -3.181360e-05 9.999941e-01 9.999966e-01 0.004395 0.001132 True md_ensemble 4 160 169 + CB_GB1_19 CB_GB1_20 1 0.000000e+00 1.423193e-05 ; 3.515067e-01 -1.423193e-05 2.553070e-01 4.907527e-01 0.004395 0.001132 True md_ensemble 5 160 170 + CB_GB1_19 C_GB1_20 1 0.000000e+00 7.869689e-06 ; 3.345734e-01 -7.869689e-06 7.116430e-02 3.136445e-01 0.004395 0.001132 True md_ensemble 5 160 171 + CB_GB1_19 O_GB1_20 1 0.000000e+00 2.133656e-06 ; 3.000927e-01 -2.133656e-06 5.374950e-03 6.392036e-02 0.004395 0.001132 True md_ensemble 6 160 172 + CB_GB1_19 N_GB1_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 173 + CB_GB1_19 C_GB1_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 179 CB_GB1_19 O_GB1_21 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 8.698038e-02 0.004395 0.007862 True md_ensemble 7 160 180 - CB_GB1_19 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 181 - CB_GB1_19 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 185 - CB_GB1_19 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 186 - CB_GB1_19 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 187 - CB_GB1_19 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 188 + CB_GB1_19 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 181 + CB_GB1_19 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 185 + CB_GB1_19 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 186 + CB_GB1_19 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 187 + CB_GB1_19 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 188 CB_GB1_19 O_GB1_22 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.689238e-03 0.004395 0.007862 True md_ensemble 7 160 189 - CB_GB1_19 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 190 - CB_GB1_19 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 194 + CB_GB1_19 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 190 + CB_GB1_19 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 194 CB_GB1_19 O_GB1_23 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.797690e-04 0.004395 0.007862 True md_ensemble 7 160 195 - CB_GB1_19 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 196 - CB_GB1_19 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 200 + CB_GB1_19 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 196 + CB_GB1_19 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 200 CB_GB1_19 O_GB1_24 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.932324e-04 0.004395 0.007862 True md_ensemble 7 160 201 - CB_GB1_19 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 202 - CB_GB1_19 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 206 - CB_GB1_19 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 208 + CB_GB1_19 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 202 + CB_GB1_19 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 206 + CB_GB1_19 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 208 CB_GB1_19 O_GB1_25 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.839744e-04 0.004395 0.007862 True md_ensemble 7 160 209 - CB_GB1_19 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 210 - CB_GB1_19 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 214 + CB_GB1_19 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 210 + CB_GB1_19 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 214 CB_GB1_19 O_GB1_26 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.911688e-04 0.004395 0.007862 True md_ensemble 7 160 215 - CB_GB1_19 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 216 - CB_GB1_19 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 221 - CB_GB1_19 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 222 - CB_GB1_19 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 223 - CB_GB1_19 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 224 + CB_GB1_19 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 216 + CB_GB1_19 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 221 + CB_GB1_19 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 222 + CB_GB1_19 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 223 + CB_GB1_19 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 224 CB_GB1_19 O_GB1_27 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000089e-04 0.004395 0.007862 True md_ensemble 7 160 225 - CB_GB1_19 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 226 - CB_GB1_19 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 233 - CB_GB1_19 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 234 + CB_GB1_19 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 226 + CB_GB1_19 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 233 + CB_GB1_19 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 234 CB_GB1_19 O_GB1_28 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.788613e-04 0.004395 0.007862 True md_ensemble 7 160 235 - CB_GB1_19 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 236 - CB_GB1_19 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 242 + CB_GB1_19 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 236 + CB_GB1_19 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 242 CB_GB1_19 O_GB1_29 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.503936e-05 0.004395 0.007862 True md_ensemble 7 160 243 - CB_GB1_19 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 244 - CB_GB1_19 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 254 + CB_GB1_19 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 244 + CB_GB1_19 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 254 CB_GB1_19 O_GB1_30 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.580715e-04 0.004395 0.007862 True md_ensemble 7 160 255 - CB_GB1_19 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 256 - CB_GB1_19 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 263 - CB_GB1_19 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 264 + CB_GB1_19 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 256 + CB_GB1_19 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 263 + CB_GB1_19 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 264 CB_GB1_19 O_GB1_31 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000310e-04 0.004395 0.007862 True md_ensemble 7 160 265 - CB_GB1_19 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 266 - CB_GB1_19 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 271 + CB_GB1_19 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 266 + CB_GB1_19 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 271 CB_GB1_19 OE1_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.401119e-04 0.004395 0.007862 True md_ensemble 7 160 272 - CB_GB1_19 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 273 - CB_GB1_19 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 274 + CB_GB1_19 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 273 + CB_GB1_19 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 274 CB_GB1_19 O_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 160 275 - CB_GB1_19 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 276 - CB_GB1_19 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 286 - CB_GB1_19 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 287 + CB_GB1_19 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 276 + CB_GB1_19 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 286 + CB_GB1_19 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 287 CB_GB1_19 O_GB1_33 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.992977e-05 0.004395 0.007862 True md_ensemble 7 160 288 - CB_GB1_19 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 289 - CB_GB1_19 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 293 + CB_GB1_19 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 289 + CB_GB1_19 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 293 CB_GB1_19 O_GB1_34 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.001086e-04 0.004395 0.007862 True md_ensemble 7 160 294 - CB_GB1_19 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 295 - CB_GB1_19 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 299 + CB_GB1_19 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 295 + CB_GB1_19 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 299 CB_GB1_19 OD1_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.995460e-04 0.004395 0.007862 True md_ensemble 7 160 300 - CB_GB1_19 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 301 - CB_GB1_19 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 302 + CB_GB1_19 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 301 + CB_GB1_19 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 302 CB_GB1_19 O_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.020423e-04 0.004395 0.007862 True md_ensemble 7 160 303 - CB_GB1_19 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 304 - CB_GB1_19 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 308 - CB_GB1_19 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 309 - CB_GB1_19 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 310 - CB_GB1_19 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 311 + CB_GB1_19 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 304 + CB_GB1_19 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 308 + CB_GB1_19 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 309 + CB_GB1_19 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 310 + CB_GB1_19 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 311 CB_GB1_19 O_GB1_36 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 160 312 - CB_GB1_19 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 313 - CB_GB1_19 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 317 + CB_GB1_19 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 313 + CB_GB1_19 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 317 CB_GB1_19 OD1_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 160 318 - CB_GB1_19 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 319 - CB_GB1_19 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 320 + CB_GB1_19 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 319 + CB_GB1_19 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 320 CB_GB1_19 O_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.993168e-05 0.004395 0.007862 True md_ensemble 7 160 321 - CB_GB1_19 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 322 - CB_GB1_19 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 325 + CB_GB1_19 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 322 + CB_GB1_19 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 325 CB_GB1_19 O_GB1_38 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.632196e-05 0.004395 0.007862 True md_ensemble 7 160 326 - CB_GB1_19 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 327 - CB_GB1_19 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 333 + CB_GB1_19 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 327 + CB_GB1_19 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 333 CB_GB1_19 O_GB1_39 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 160 334 - CB_GB1_19 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 335 - CB_GB1_19 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 339 - CB_GB1_19 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 340 - CB_GB1_19 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 341 - CB_GB1_19 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 342 + CB_GB1_19 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 335 + CB_GB1_19 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 339 + CB_GB1_19 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 340 + CB_GB1_19 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 341 + CB_GB1_19 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 342 CB_GB1_19 O_GB1_40 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 160 343 - CB_GB1_19 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 344 - CB_GB1_19 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 347 + CB_GB1_19 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 344 + CB_GB1_19 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 347 CB_GB1_19 O_GB1_41 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.592156e-04 0.004395 0.007862 True md_ensemble 7 160 348 - CB_GB1_19 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 349 - CB_GB1_19 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 354 - CB_GB1_19 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 355 - CB_GB1_19 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 356 - CB_GB1_19 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 357 + CB_GB1_19 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 349 + CB_GB1_19 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 354 + CB_GB1_19 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 355 + CB_GB1_19 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 356 + CB_GB1_19 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 357 CB_GB1_19 O_GB1_42 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.999019e-04 0.004395 0.007862 True md_ensemble 7 160 358 - CB_GB1_19 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 359 - CB_GB1_19 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 366 - CB_GB1_19 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 372 + CB_GB1_19 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 359 + CB_GB1_19 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 366 + CB_GB1_19 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 372 CB_GB1_19 O_GB1_43 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 160 373 - CB_GB1_19 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 374 - CB_GB1_19 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 378 - CB_GB1_19 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 380 + CB_GB1_19 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 374 + CB_GB1_19 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 378 + CB_GB1_19 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 380 CB_GB1_19 O_GB1_44 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000593e-04 0.004395 0.007862 True md_ensemble 7 160 381 - CB_GB1_19 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 382 - CB_GB1_19 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 392 - CB_GB1_19 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 393 + CB_GB1_19 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 382 + CB_GB1_19 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 392 + CB_GB1_19 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 393 CB_GB1_19 O_GB1_45 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.264653e-05 0.004395 0.007862 True md_ensemble 7 160 394 - CB_GB1_19 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 395 - CB_GB1_19 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 399 - CB_GB1_19 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 400 - CB_GB1_19 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 401 - CB_GB1_19 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 402 + CB_GB1_19 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 395 + CB_GB1_19 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 399 + CB_GB1_19 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 400 + CB_GB1_19 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 401 + CB_GB1_19 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 402 CB_GB1_19 O_GB1_46 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 160 403 - CB_GB1_19 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 404 - CB_GB1_19 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 408 - CB_GB1_19 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 409 - CB_GB1_19 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 410 - CB_GB1_19 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 411 + CB_GB1_19 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 404 + CB_GB1_19 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 408 + CB_GB1_19 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 409 + CB_GB1_19 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 410 + CB_GB1_19 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 411 CB_GB1_19 O_GB1_47 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 160 412 - CB_GB1_19 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 413 - CB_GB1_19 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 417 + CB_GB1_19 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 413 + CB_GB1_19 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 417 CB_GB1_19 O_GB1_48 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 160 418 - CB_GB1_19 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 419 - CB_GB1_19 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 423 - CB_GB1_19 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 425 + CB_GB1_19 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 419 + CB_GB1_19 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 423 + CB_GB1_19 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 425 CB_GB1_19 O_GB1_49 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 160 426 - CB_GB1_19 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 427 - CB_GB1_19 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 434 - CB_GB1_19 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 435 + CB_GB1_19 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 427 + CB_GB1_19 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 434 + CB_GB1_19 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 435 CB_GB1_19 O_GB1_50 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.970099e-04 0.004395 0.007862 True md_ensemble 7 160 436 - CB_GB1_19 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 437 - CB_GB1_19 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 441 - CB_GB1_19 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 443 + CB_GB1_19 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 437 + CB_GB1_19 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 441 + CB_GB1_19 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 443 CB_GB1_19 O_GB1_51 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 160 444 - CB_GB1_19 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 445 - CB_GB1_19 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 455 + CB_GB1_19 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 445 + CB_GB1_19 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 455 CB_GB1_19 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000057e-04 0.004395 0.007862 True md_ensemble 7 160 456 - CB_GB1_19 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 457 - CB_GB1_19 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 461 - CB_GB1_19 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 463 + CB_GB1_19 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 457 + CB_GB1_19 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 461 + CB_GB1_19 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 463 CB_GB1_19 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000030e-04 0.004395 0.007862 True md_ensemble 7 160 464 - CB_GB1_19 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 465 - CB_GB1_19 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 471 + CB_GB1_19 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 465 + CB_GB1_19 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 471 CB_GB1_19 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 160 472 - CB_GB1_19 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 473 - CB_GB1_19 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 477 - CB_GB1_19 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 479 + CB_GB1_19 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 473 + CB_GB1_19 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 477 + CB_GB1_19 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 479 CB_GB1_19 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 160 480 - CB_GB1_19 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 481 - CB_GB1_19 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 486 - CB_GB1_19 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 487 - CB_GB1_19 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 488 - CB_GB1_19 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 489 - CB_GB1_19 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 490 - CB_GB1_19 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 491 - CG_GB1_19 CD_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 162 - CG_GB1_19 OE1_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 163 - CG_GB1_19 OE2_GB1_19 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 164 - CG_GB1_19 C_GB1_19 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 165 - CG_GB1_19 O_GB1_19 1 0.000000e+00 1.935119e-06 ; 2.976601e-01 -1.935119e-06 9.986500e-01 9.586940e-01 0.004395 0.001132 True md_ensemble 4 161 166 - CG_GB1_19 N_GB1_20 1 0.000000e+00 3.597672e-06 ; 3.134465e-01 -3.597672e-06 9.993707e-01 9.780410e-01 0.004395 0.001132 True md_ensemble 4 161 167 - CG_GB1_19 CA_GB1_20 1 0.000000e+00 2.336392e-05 ; 3.663311e-01 -2.336392e-05 9.597516e-01 6.941509e-01 0.004395 0.001132 True md_ensemble 5 161 169 - CG_GB1_19 CB_GB1_20 1 0.000000e+00 1.259800e-05 ; 3.479526e-01 -1.259800e-05 2.480094e-02 1.183954e-01 0.004395 0.001132 True md_ensemble 6 161 170 + CB_GB1_19 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 481 + CB_GB1_19 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 486 + CB_GB1_19 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 487 + CB_GB1_19 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 488 + CB_GB1_19 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 489 + CB_GB1_19 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 490 + CB_GB1_19 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 160 491 + CG_GB1_19 CD_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 162 + CG_GB1_19 OE1_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 163 + CG_GB1_19 OE2_GB1_19 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 164 + CG_GB1_19 C_GB1_19 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 165 + CG_GB1_19 O_GB1_19 1 0.000000e+00 1.935112e-06 ; 2.976600e-01 -1.935112e-06 9.986500e-01 9.586940e-01 0.004395 0.001132 True md_ensemble 4 161 166 + CG_GB1_19 N_GB1_20 1 0.000000e+00 3.597625e-06 ; 3.134462e-01 -3.597625e-06 9.993707e-01 9.780410e-01 0.004395 0.001132 True md_ensemble 4 161 167 + CG_GB1_19 CA_GB1_20 1 0.000000e+00 2.336383e-05 ; 3.663310e-01 -2.336383e-05 9.597516e-01 6.941509e-01 0.004395 0.001132 True md_ensemble 5 161 169 + CG_GB1_19 CB_GB1_20 1 0.000000e+00 1.259785e-05 ; 3.479523e-01 -1.259785e-05 2.480094e-02 1.183954e-01 0.004395 0.001132 True md_ensemble 6 161 170 CG_GB1_19 C_GB1_20 1 2.756266e-03 2.282902e-05 ; 4.498085e-01 8.319459e-02 4.949234e-01 9.867519e-02 0.004395 0.001132 True md_ensemble 6 161 171 CG_GB1_19 O_GB1_20 1 2.610337e-03 1.064618e-05 ; 3.997142e-01 1.600071e-01 1.297544e-01 4.054934e-02 0.004395 0.007862 True md_ensemble 7 161 172 - CG_GB1_19 N_GB1_21 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 173 - CG_GB1_19 C_GB1_21 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 179 + CG_GB1_19 N_GB1_21 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 173 + CG_GB1_19 C_GB1_21 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 179 CG_GB1_19 O_GB1_21 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.174767e-02 0.004395 0.007862 True md_ensemble 7 161 180 - CG_GB1_19 N_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 181 - CG_GB1_19 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 185 - CG_GB1_19 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 186 - CG_GB1_19 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 187 - CG_GB1_19 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 188 + CG_GB1_19 N_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 181 + CG_GB1_19 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 185 + CG_GB1_19 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 186 + CG_GB1_19 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 187 + CG_GB1_19 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 188 CG_GB1_19 O_GB1_22 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.736638e-03 0.004395 0.007862 True md_ensemble 7 161 189 - CG_GB1_19 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 190 - CG_GB1_19 C_GB1_23 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 194 + CG_GB1_19 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 190 + CG_GB1_19 C_GB1_23 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 194 CG_GB1_19 O_GB1_23 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.533042e-04 0.004395 0.007862 True md_ensemble 7 161 195 - CG_GB1_19 N_GB1_24 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 196 - CG_GB1_19 C_GB1_24 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 200 + CG_GB1_19 N_GB1_24 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 196 + CG_GB1_19 C_GB1_24 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 200 CG_GB1_19 O_GB1_24 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 8.532066e-04 0.004395 0.007862 True md_ensemble 7 161 201 - CG_GB1_19 N_GB1_25 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 202 - CG_GB1_19 OG1_GB1_25 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 206 - CG_GB1_19 C_GB1_25 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 208 + CG_GB1_19 N_GB1_25 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 202 + CG_GB1_19 OG1_GB1_25 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 206 + CG_GB1_19 C_GB1_25 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 208 CG_GB1_19 O_GB1_25 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.964206e-04 0.004395 0.007862 True md_ensemble 7 161 209 - CG_GB1_19 N_GB1_26 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 210 - CG_GB1_19 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 214 + CG_GB1_19 N_GB1_26 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 210 + CG_GB1_19 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 214 CG_GB1_19 O_GB1_26 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.511445e-04 0.004395 0.007862 True md_ensemble 7 161 215 - CG_GB1_19 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 216 - CG_GB1_19 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 221 - CG_GB1_19 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 222 - CG_GB1_19 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 223 - CG_GB1_19 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 224 + CG_GB1_19 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 216 + CG_GB1_19 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 221 + CG_GB1_19 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 222 + CG_GB1_19 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 223 + CG_GB1_19 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 224 CG_GB1_19 O_GB1_27 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.805897e-04 0.004395 0.007862 True md_ensemble 7 161 225 - CG_GB1_19 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 226 - CG_GB1_19 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 233 - CG_GB1_19 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 234 + CG_GB1_19 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 226 + CG_GB1_19 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 233 + CG_GB1_19 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 234 CG_GB1_19 O_GB1_28 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.998333e-04 0.004395 0.007862 True md_ensemble 7 161 235 - CG_GB1_19 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 236 - CG_GB1_19 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 242 + CG_GB1_19 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 236 + CG_GB1_19 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 242 CG_GB1_19 O_GB1_29 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.992452e-05 0.004395 0.007862 True md_ensemble 7 161 243 - CG_GB1_19 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 244 - CG_GB1_19 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 254 + CG_GB1_19 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 244 + CG_GB1_19 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 254 CG_GB1_19 O_GB1_30 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000539e-04 0.004395 0.007862 True md_ensemble 7 161 255 - CG_GB1_19 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 256 - CG_GB1_19 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 263 - CG_GB1_19 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 264 + CG_GB1_19 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 256 + CG_GB1_19 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 263 + CG_GB1_19 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 264 CG_GB1_19 O_GB1_31 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.217811e-04 0.004395 0.007862 True md_ensemble 7 161 265 - CG_GB1_19 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 266 - CG_GB1_19 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 271 + CG_GB1_19 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 266 + CG_GB1_19 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 271 CG_GB1_19 OE1_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.977548e-04 0.004395 0.007862 True md_ensemble 7 161 272 - CG_GB1_19 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 273 - CG_GB1_19 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 274 + CG_GB1_19 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 273 + CG_GB1_19 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 274 CG_GB1_19 O_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.524292e-04 0.004395 0.007862 True md_ensemble 7 161 275 - CG_GB1_19 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 276 - CG_GB1_19 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 286 - CG_GB1_19 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 287 + CG_GB1_19 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 276 + CG_GB1_19 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 286 + CG_GB1_19 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 287 CG_GB1_19 O_GB1_33 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.430994e-06 0.004395 0.007862 True md_ensemble 7 161 288 - CG_GB1_19 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 289 - CG_GB1_19 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 293 + CG_GB1_19 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 289 + CG_GB1_19 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 293 CG_GB1_19 O_GB1_34 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.492310e-06 0.004395 0.007862 True md_ensemble 7 161 294 - CG_GB1_19 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 295 - CG_GB1_19 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 299 + CG_GB1_19 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 295 + CG_GB1_19 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 299 CG_GB1_19 OD1_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.443291e-04 0.004395 0.007862 True md_ensemble 7 161 300 - CG_GB1_19 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 301 - CG_GB1_19 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 302 + CG_GB1_19 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 301 + CG_GB1_19 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 302 CG_GB1_19 O_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.004660e-04 0.004395 0.007862 True md_ensemble 7 161 303 - CG_GB1_19 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 304 - CG_GB1_19 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 308 - CG_GB1_19 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 309 - CG_GB1_19 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 310 - CG_GB1_19 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 311 + CG_GB1_19 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 304 + CG_GB1_19 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 308 + CG_GB1_19 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 309 + CG_GB1_19 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 310 + CG_GB1_19 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 311 CG_GB1_19 O_GB1_36 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000346e-04 0.004395 0.007862 True md_ensemble 7 161 312 - CG_GB1_19 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 313 - CG_GB1_19 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 317 + CG_GB1_19 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 313 + CG_GB1_19 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 317 CG_GB1_19 OD1_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000609e-04 0.004395 0.007862 True md_ensemble 7 161 318 - CG_GB1_19 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 319 - CG_GB1_19 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 320 + CG_GB1_19 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 319 + CG_GB1_19 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 320 CG_GB1_19 O_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 161 321 - CG_GB1_19 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 322 - CG_GB1_19 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 325 + CG_GB1_19 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 322 + CG_GB1_19 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 325 CG_GB1_19 O_GB1_38 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.160138e-05 0.004395 0.007862 True md_ensemble 7 161 326 - CG_GB1_19 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 327 - CG_GB1_19 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 333 + CG_GB1_19 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 327 + CG_GB1_19 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 333 CG_GB1_19 O_GB1_39 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 161 334 - CG_GB1_19 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 335 - CG_GB1_19 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 339 - CG_GB1_19 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 340 - CG_GB1_19 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 341 - CG_GB1_19 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 342 + CG_GB1_19 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 335 + CG_GB1_19 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 339 + CG_GB1_19 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 340 + CG_GB1_19 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 341 + CG_GB1_19 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 342 CG_GB1_19 O_GB1_40 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.412553e-04 0.004395 0.007862 True md_ensemble 7 161 343 - CG_GB1_19 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 344 - CG_GB1_19 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 347 + CG_GB1_19 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 344 + CG_GB1_19 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 347 CG_GB1_19 O_GB1_41 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.381625e-04 0.004395 0.007862 True md_ensemble 7 161 348 - CG_GB1_19 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 349 - CG_GB1_19 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 354 - CG_GB1_19 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 355 - CG_GB1_19 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 356 - CG_GB1_19 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 357 + CG_GB1_19 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 349 + CG_GB1_19 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 354 + CG_GB1_19 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 355 + CG_GB1_19 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 356 + CG_GB1_19 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 357 CG_GB1_19 O_GB1_42 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.426407e-04 0.004395 0.007862 True md_ensemble 7 161 358 - CG_GB1_19 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 359 - CG_GB1_19 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 366 - CG_GB1_19 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 372 + CG_GB1_19 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 359 + CG_GB1_19 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 366 + CG_GB1_19 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 372 CG_GB1_19 O_GB1_43 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 161 373 - CG_GB1_19 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 374 - CG_GB1_19 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 378 - CG_GB1_19 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 380 + CG_GB1_19 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 374 + CG_GB1_19 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 378 + CG_GB1_19 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 380 CG_GB1_19 O_GB1_44 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000572e-04 0.004395 0.007862 True md_ensemble 7 161 381 - CG_GB1_19 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 382 - CG_GB1_19 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 392 - CG_GB1_19 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 393 + CG_GB1_19 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 382 + CG_GB1_19 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 392 + CG_GB1_19 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 393 CG_GB1_19 O_GB1_45 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.310743e-07 0.004395 0.007862 True md_ensemble 7 161 394 - CG_GB1_19 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 395 - CG_GB1_19 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 399 - CG_GB1_19 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 400 - CG_GB1_19 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 401 - CG_GB1_19 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 402 + CG_GB1_19 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 395 + CG_GB1_19 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 399 + CG_GB1_19 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 400 + CG_GB1_19 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 401 + CG_GB1_19 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 402 CG_GB1_19 O_GB1_46 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 161 403 - CG_GB1_19 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 404 - CG_GB1_19 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 408 - CG_GB1_19 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 409 - CG_GB1_19 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 410 - CG_GB1_19 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 411 + CG_GB1_19 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 404 + CG_GB1_19 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 408 + CG_GB1_19 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 409 + CG_GB1_19 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 410 + CG_GB1_19 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 411 CG_GB1_19 O_GB1_47 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 161 412 - CG_GB1_19 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 413 - CG_GB1_19 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 417 + CG_GB1_19 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 413 + CG_GB1_19 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 417 CG_GB1_19 O_GB1_48 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 161 418 - CG_GB1_19 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 419 - CG_GB1_19 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 423 - CG_GB1_19 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 425 + CG_GB1_19 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 419 + CG_GB1_19 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 423 + CG_GB1_19 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 425 CG_GB1_19 O_GB1_49 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.603110e-05 0.004395 0.007862 True md_ensemble 7 161 426 - CG_GB1_19 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 427 - CG_GB1_19 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 434 - CG_GB1_19 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 435 + CG_GB1_19 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 427 + CG_GB1_19 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 434 + CG_GB1_19 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 435 CG_GB1_19 O_GB1_50 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.220280e-05 0.004395 0.007862 True md_ensemble 7 161 436 - CG_GB1_19 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 437 - CG_GB1_19 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 441 - CG_GB1_19 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 443 + CG_GB1_19 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 437 + CG_GB1_19 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 441 + CG_GB1_19 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 443 CG_GB1_19 O_GB1_51 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 161 444 - CG_GB1_19 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 445 - CG_GB1_19 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 455 + CG_GB1_19 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 445 + CG_GB1_19 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 455 CG_GB1_19 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000486e-04 0.004395 0.007862 True md_ensemble 7 161 456 - CG_GB1_19 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 457 - CG_GB1_19 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 461 - CG_GB1_19 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 463 + CG_GB1_19 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 457 + CG_GB1_19 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 461 + CG_GB1_19 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 463 CG_GB1_19 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000660e-04 0.004395 0.007862 True md_ensemble 7 161 464 - CG_GB1_19 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 465 - CG_GB1_19 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 471 + CG_GB1_19 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 465 + CG_GB1_19 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 471 CG_GB1_19 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 161 472 - CG_GB1_19 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 473 - CG_GB1_19 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 477 - CG_GB1_19 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 479 + CG_GB1_19 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 473 + CG_GB1_19 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 477 + CG_GB1_19 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 479 CG_GB1_19 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.992669e-05 0.004395 0.007862 True md_ensemble 7 161 480 - CG_GB1_19 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 481 - CG_GB1_19 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 486 - CG_GB1_19 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 487 - CG_GB1_19 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 488 - CG_GB1_19 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 489 - CG_GB1_19 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 490 - CG_GB1_19 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 491 - CD_GB1_19 C_GB1_19 1 0.000000e+00 1.766576e-06 ; 2.954083e-01 -1.766576e-06 9.205291e-01 6.003554e-01 0.004395 0.001132 True md_ensemble 4 162 165 - CD_GB1_19 O_GB1_19 1 0.000000e+00 6.252237e-07 ; 2.709139e-01 -6.252237e-07 3.351089e-01 9.117535e-02 0.004395 0.001132 True md_ensemble 5 162 166 + CG_GB1_19 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 481 + CG_GB1_19 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 486 + CG_GB1_19 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 487 + CG_GB1_19 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 488 + CG_GB1_19 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 489 + CG_GB1_19 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 490 + CG_GB1_19 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 161 491 + CD_GB1_19 C_GB1_19 1 0.000000e+00 1.766545e-06 ; 2.954079e-01 -1.766545e-06 9.205291e-01 6.003554e-01 0.004395 0.001132 True md_ensemble 4 162 165 + CD_GB1_19 O_GB1_19 1 0.000000e+00 6.252209e-07 ; 2.709138e-01 -6.252209e-07 3.351089e-01 9.117535e-02 0.004395 0.001132 True md_ensemble 5 162 166 CD_GB1_19 N_GB1_20 1 6.061943e-04 7.104928e-07 ; 3.247067e-01 1.293016e-01 7.358044e-01 6.002119e-02 0.004395 0.001132 True md_ensemble 5 162 167 CD_GB1_19 CA_GB1_20 1 3.631458e-03 2.135772e-05 ; 4.248598e-01 1.543644e-01 7.255941e-01 3.641313e-02 0.004395 0.001132 True md_ensemble 6 162 169 - CD_GB1_19 CB_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 170 + CD_GB1_19 CB_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 170 CD_GB1_19 C_GB1_20 1 5.473115e-03 2.851289e-05 ; 4.163588e-01 2.626442e-01 1.839251e-01 1.757825e-03 0.004395 0.011584 True md_ensemble 7 162 171 CD_GB1_19 O_GB1_20 1 2.791055e-03 7.631905e-06 ; 3.739476e-01 2.551784e-01 1.591453e-01 5.757207e-03 0.004395 0.011584 True md_ensemble 7 162 172 - CD_GB1_19 CB_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 176 - CD_GB1_19 CG1_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 177 - CD_GB1_19 CG2_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 178 - CD_GB1_19 CB_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 184 - CD_GB1_19 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 193 - CD_GB1_19 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 199 - CD_GB1_19 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 205 - CD_GB1_19 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 207 - CD_GB1_19 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 213 - CD_GB1_19 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 219 - CD_GB1_19 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 220 - CD_GB1_19 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 229 - CD_GB1_19 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 230 - CD_GB1_19 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 231 - CD_GB1_19 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 232 - CD_GB1_19 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 239 - CD_GB1_19 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 240 - CD_GB1_19 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 241 - CD_GB1_19 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 247 - CD_GB1_19 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 259 - CD_GB1_19 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 260 - CD_GB1_19 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 261 - CD_GB1_19 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 262 - CD_GB1_19 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 269 - CD_GB1_19 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 270 - CD_GB1_19 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 279 - CD_GB1_19 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 292 - CD_GB1_19 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 298 - CD_GB1_19 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 307 - CD_GB1_19 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 316 - CD_GB1_19 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 324 - CD_GB1_19 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 330 - CD_GB1_19 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 331 - CD_GB1_19 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 332 - CD_GB1_19 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 338 - CD_GB1_19 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 346 - CD_GB1_19 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 352 - CD_GB1_19 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 353 - CD_GB1_19 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 362 - CD_GB1_19 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 377 - CD_GB1_19 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 379 - CD_GB1_19 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 385 - CD_GB1_19 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 398 - CD_GB1_19 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 407 - CD_GB1_19 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 416 - CD_GB1_19 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 422 - CD_GB1_19 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 424 - CD_GB1_19 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 430 - CD_GB1_19 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 431 - CD_GB1_19 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 432 - CD_GB1_19 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 433 - CD_GB1_19 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 440 - CD_GB1_19 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 442 - CD_GB1_19 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 448 - CD_GB1_19 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 460 - CD_GB1_19 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 462 - CD_GB1_19 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 468 - CD_GB1_19 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 469 - CD_GB1_19 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 470 - CD_GB1_19 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 476 - CD_GB1_19 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 478 - CD_GB1_19 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 484 - CD_GB1_19 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 485 + CD_GB1_19 CB_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 176 + CD_GB1_19 CG1_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 177 + CD_GB1_19 CG2_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 178 + CD_GB1_19 CB_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 184 + CD_GB1_19 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 193 + CD_GB1_19 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 199 + CD_GB1_19 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 205 + CD_GB1_19 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 207 + CD_GB1_19 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 213 + CD_GB1_19 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 219 + CD_GB1_19 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 220 + CD_GB1_19 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 229 + CD_GB1_19 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 230 + CD_GB1_19 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 231 + CD_GB1_19 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 232 + CD_GB1_19 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 239 + CD_GB1_19 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 240 + CD_GB1_19 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 241 + CD_GB1_19 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 247 + CD_GB1_19 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 259 + CD_GB1_19 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 260 + CD_GB1_19 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 261 + CD_GB1_19 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 262 + CD_GB1_19 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 269 + CD_GB1_19 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 270 + CD_GB1_19 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 279 + CD_GB1_19 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 292 + CD_GB1_19 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 298 + CD_GB1_19 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 307 + CD_GB1_19 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 316 + CD_GB1_19 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 324 + CD_GB1_19 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 330 + CD_GB1_19 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 331 + CD_GB1_19 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 332 + CD_GB1_19 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 338 + CD_GB1_19 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 346 + CD_GB1_19 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 352 + CD_GB1_19 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 353 + CD_GB1_19 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 362 + CD_GB1_19 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 377 + CD_GB1_19 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 379 + CD_GB1_19 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 385 + CD_GB1_19 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 398 + CD_GB1_19 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 407 + CD_GB1_19 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 416 + CD_GB1_19 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 422 + CD_GB1_19 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 424 + CD_GB1_19 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 430 + CD_GB1_19 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 431 + CD_GB1_19 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 432 + CD_GB1_19 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 433 + CD_GB1_19 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 440 + CD_GB1_19 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 442 + CD_GB1_19 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 448 + CD_GB1_19 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 460 + CD_GB1_19 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 462 + CD_GB1_19 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 468 + CD_GB1_19 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 469 + CD_GB1_19 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 470 + CD_GB1_19 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 476 + CD_GB1_19 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 478 + CD_GB1_19 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 484 + CD_GB1_19 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 162 485 OE1_GB1_19 OE1_GB1_19 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 163 OE1_GB1_19 OE2_GB1_19 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 164 OE1_GB1_19 C_GB1_19 1 6.367658e-04 7.231990e-07 ; 3.230078e-01 1.401657e-01 4.426585e-01 2.925214e-02 0.004395 0.001132 True md_ensemble 5 163 165 @@ -25100,12 +25100,12 @@ OE1_GB1_19 O_GB1_20 1 7.503075e-04 6.900698e-07 ; 3.118475e-01 2.039509e- OE1_GB1_19 N_GB1_21 1 2.138715e-03 7.302285e-06 ; 3.880470e-01 1.565984e-01 2.354777e-02 7.197463e-03 0.004395 0.011584 True md_ensemble 7 163 173 OE1_GB1_19 H_GB1_21 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 174 OE1_GB1_19 CA_GB1_21 1 1.838210e-03 1.205422e-05 ; 4.326373e-01 7.007950e-02 4.634585e-03 8.931052e-03 0.004395 0.008483 True md_ensemble 7 163 175 -OE1_GB1_19 CB_GB1_21 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 176 +OE1_GB1_19 CB_GB1_21 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 176 OE1_GB1_19 CG1_GB1_21 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 177 OE1_GB1_19 CG2_GB1_21 1 0.000000e+00 1.246543e-06 ; 2.869485e-01 -1.246543e-06 7.814782e-03 3.169851e-02 0.004395 0.001132 True md_ensemble 7 163 178 OE1_GB1_19 O_GB1_21 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 180 OE1_GB1_19 H_GB1_22 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 182 -OE1_GB1_19 CB_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 184 +OE1_GB1_19 CB_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 184 OE1_GB1_19 OD1_GB1_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 186 OE1_GB1_19 OD2_GB1_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 187 OE1_GB1_19 O_GB1_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 189 @@ -25116,101 +25116,101 @@ OE1_GB1_19 H_GB1_24 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e- OE1_GB1_19 CB_GB1_24 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 199 OE1_GB1_19 O_GB1_24 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 201 OE1_GB1_19 H_GB1_25 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 203 -OE1_GB1_19 CB_GB1_25 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 205 +OE1_GB1_19 CB_GB1_25 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 205 OE1_GB1_19 CG2_GB1_25 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 207 OE1_GB1_19 O_GB1_25 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 209 OE1_GB1_19 H_GB1_26 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 211 OE1_GB1_19 CB_GB1_26 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 213 OE1_GB1_19 O_GB1_26 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 215 OE1_GB1_19 H_GB1_27 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 217 -OE1_GB1_19 CB_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 219 -OE1_GB1_19 CG_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 220 +OE1_GB1_19 CB_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 219 +OE1_GB1_19 CG_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 220 OE1_GB1_19 OE1_GB1_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 222 OE1_GB1_19 OE2_GB1_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 223 OE1_GB1_19 O_GB1_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 225 OE1_GB1_19 H_GB1_28 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 227 -OE1_GB1_19 CB_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 229 -OE1_GB1_19 CG_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 230 -OE1_GB1_19 CD_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 231 -OE1_GB1_19 CE_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 232 +OE1_GB1_19 CB_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 229 +OE1_GB1_19 CG_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 230 +OE1_GB1_19 CD_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 231 +OE1_GB1_19 CE_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 232 OE1_GB1_19 O_GB1_28 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 235 OE1_GB1_19 H_GB1_29 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 237 -OE1_GB1_19 CB_GB1_29 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 239 +OE1_GB1_19 CB_GB1_29 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 239 OE1_GB1_19 CG1_GB1_29 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 240 OE1_GB1_19 CG2_GB1_29 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 241 OE1_GB1_19 O_GB1_29 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 243 OE1_GB1_19 H_GB1_30 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 245 -OE1_GB1_19 CB_GB1_30 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 247 +OE1_GB1_19 CB_GB1_30 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 247 OE1_GB1_19 O_GB1_30 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 255 OE1_GB1_19 H_GB1_31 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 257 -OE1_GB1_19 CB_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 259 -OE1_GB1_19 CG_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 260 -OE1_GB1_19 CD_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 261 -OE1_GB1_19 CE_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 262 +OE1_GB1_19 CB_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 259 +OE1_GB1_19 CG_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 260 +OE1_GB1_19 CD_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 261 +OE1_GB1_19 CE_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 262 OE1_GB1_19 O_GB1_31 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 265 OE1_GB1_19 H_GB1_32 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 267 -OE1_GB1_19 CB_GB1_32 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 269 -OE1_GB1_19 CG_GB1_32 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 270 +OE1_GB1_19 CB_GB1_32 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 269 +OE1_GB1_19 CG_GB1_32 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 270 OE1_GB1_19 OE1_GB1_32 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 272 OE1_GB1_19 O_GB1_32 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 275 OE1_GB1_19 H_GB1_33 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 277 -OE1_GB1_19 CB_GB1_33 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 279 +OE1_GB1_19 CB_GB1_33 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 279 OE1_GB1_19 O_GB1_33 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 288 OE1_GB1_19 H_GB1_34 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 290 OE1_GB1_19 CB_GB1_34 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 292 OE1_GB1_19 O_GB1_34 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 294 OE1_GB1_19 H_GB1_35 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 296 -OE1_GB1_19 CB_GB1_35 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 298 +OE1_GB1_19 CB_GB1_35 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 298 OE1_GB1_19 OD1_GB1_35 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 300 OE1_GB1_19 O_GB1_35 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 303 OE1_GB1_19 H_GB1_36 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 305 -OE1_GB1_19 CB_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 307 +OE1_GB1_19 CB_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 307 OE1_GB1_19 OD1_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 309 OE1_GB1_19 OD2_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 310 OE1_GB1_19 O_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 312 OE1_GB1_19 H_GB1_37 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 314 -OE1_GB1_19 CB_GB1_37 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 316 +OE1_GB1_19 CB_GB1_37 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 316 OE1_GB1_19 OD1_GB1_37 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 318 OE1_GB1_19 O_GB1_37 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 321 OE1_GB1_19 H_GB1_38 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 323 -OE1_GB1_19 CA_GB1_38 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 324 +OE1_GB1_19 CA_GB1_38 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 324 OE1_GB1_19 O_GB1_38 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 326 OE1_GB1_19 H_GB1_39 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 328 -OE1_GB1_19 CB_GB1_39 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 330 +OE1_GB1_19 CB_GB1_39 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 330 OE1_GB1_19 CG1_GB1_39 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 331 OE1_GB1_19 CG2_GB1_39 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 332 OE1_GB1_19 O_GB1_39 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 334 OE1_GB1_19 H_GB1_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 336 -OE1_GB1_19 CB_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 338 +OE1_GB1_19 CB_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 338 OE1_GB1_19 OD1_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 340 OE1_GB1_19 OD2_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 341 OE1_GB1_19 O_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 343 OE1_GB1_19 H_GB1_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 345 -OE1_GB1_19 CA_GB1_41 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 346 +OE1_GB1_19 CA_GB1_41 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 346 OE1_GB1_19 O_GB1_41 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 348 OE1_GB1_19 H_GB1_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 350 -OE1_GB1_19 CB_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 352 -OE1_GB1_19 CG_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 353 +OE1_GB1_19 CB_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 352 +OE1_GB1_19 CG_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 353 OE1_GB1_19 OE1_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 355 OE1_GB1_19 OE2_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 356 OE1_GB1_19 O_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 358 OE1_GB1_19 H_GB1_43 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 360 -OE1_GB1_19 CB_GB1_43 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 362 +OE1_GB1_19 CB_GB1_43 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 362 OE1_GB1_19 O_GB1_43 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 373 OE1_GB1_19 H_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 375 -OE1_GB1_19 CB_GB1_44 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 377 +OE1_GB1_19 CB_GB1_44 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 377 OE1_GB1_19 CG2_GB1_44 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 379 OE1_GB1_19 O_GB1_44 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 381 OE1_GB1_19 H_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 383 -OE1_GB1_19 CB_GB1_45 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 385 +OE1_GB1_19 CB_GB1_45 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 385 OE1_GB1_19 O_GB1_45 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 394 OE1_GB1_19 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 396 -OE1_GB1_19 CB_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 398 +OE1_GB1_19 CB_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 398 OE1_GB1_19 OD1_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 400 OE1_GB1_19 OD2_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 401 OE1_GB1_19 O_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 403 OE1_GB1_19 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 405 -OE1_GB1_19 CB_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 407 +OE1_GB1_19 CB_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 407 OE1_GB1_19 OD1_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 409 OE1_GB1_19 OD2_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 410 OE1_GB1_19 O_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 412 @@ -25218,38 +25218,38 @@ OE1_GB1_19 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e- OE1_GB1_19 CB_GB1_48 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 416 OE1_GB1_19 O_GB1_48 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 418 OE1_GB1_19 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 420 -OE1_GB1_19 CB_GB1_49 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 422 +OE1_GB1_19 CB_GB1_49 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 422 OE1_GB1_19 CG2_GB1_49 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 424 OE1_GB1_19 O_GB1_49 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 426 OE1_GB1_19 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 428 -OE1_GB1_19 CB_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 430 -OE1_GB1_19 CG_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 431 -OE1_GB1_19 CD_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 432 -OE1_GB1_19 CE_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 433 +OE1_GB1_19 CB_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 430 +OE1_GB1_19 CG_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 431 +OE1_GB1_19 CD_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 432 +OE1_GB1_19 CE_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 433 OE1_GB1_19 O_GB1_50 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 436 OE1_GB1_19 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 438 -OE1_GB1_19 CB_GB1_51 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 440 +OE1_GB1_19 CB_GB1_51 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 440 OE1_GB1_19 CG2_GB1_51 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 442 OE1_GB1_19 O_GB1_51 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 444 OE1_GB1_19 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 446 -OE1_GB1_19 CB_GB1_52 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 448 +OE1_GB1_19 CB_GB1_52 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 448 OE1_GB1_19 O_GB1_52 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 456 OE1_GB1_19 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 458 -OE1_GB1_19 CB_GB1_53 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 460 +OE1_GB1_19 CB_GB1_53 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 460 OE1_GB1_19 CG2_GB1_53 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 462 OE1_GB1_19 O_GB1_53 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 464 OE1_GB1_19 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 466 -OE1_GB1_19 CB_GB1_54 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 468 +OE1_GB1_19 CB_GB1_54 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 468 OE1_GB1_19 CG1_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 469 OE1_GB1_19 CG2_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 470 OE1_GB1_19 O_GB1_54 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 472 OE1_GB1_19 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 474 -OE1_GB1_19 CB_GB1_55 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 476 +OE1_GB1_19 CB_GB1_55 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 476 OE1_GB1_19 CG2_GB1_55 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 478 OE1_GB1_19 O_GB1_55 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 480 OE1_GB1_19 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 482 -OE1_GB1_19 CB_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 484 -OE1_GB1_19 CG_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 485 +OE1_GB1_19 CB_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 484 +OE1_GB1_19 CG_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 485 OE1_GB1_19 OE1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 487 OE1_GB1_19 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 488 OE1_GB1_19 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 163 490 @@ -25266,12 +25266,12 @@ OE2_GB1_19 O_GB1_20 1 7.503075e-04 6.900698e-07 ; 3.118475e-01 2.039509e- OE2_GB1_19 N_GB1_21 1 2.138715e-03 7.302285e-06 ; 3.880470e-01 1.565984e-01 2.354777e-02 7.197463e-03 0.004395 0.011584 True md_ensemble 7 164 173 OE2_GB1_19 H_GB1_21 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 174 OE2_GB1_19 CA_GB1_21 1 1.838210e-03 1.205422e-05 ; 4.326373e-01 7.007950e-02 4.634585e-03 8.931052e-03 0.004395 0.008483 True md_ensemble 7 164 175 -OE2_GB1_19 CB_GB1_21 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 176 +OE2_GB1_19 CB_GB1_21 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 176 OE2_GB1_19 CG1_GB1_21 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 177 OE2_GB1_19 CG2_GB1_21 1 0.000000e+00 1.246543e-06 ; 2.869485e-01 -1.246543e-06 7.814782e-03 3.169851e-02 0.004395 0.001132 True md_ensemble 7 164 178 OE2_GB1_19 O_GB1_21 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 180 OE2_GB1_19 H_GB1_22 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 182 -OE2_GB1_19 CB_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 184 +OE2_GB1_19 CB_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 184 OE2_GB1_19 OD1_GB1_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 186 OE2_GB1_19 OD2_GB1_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 187 OE2_GB1_19 O_GB1_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 189 @@ -25282,101 +25282,101 @@ OE2_GB1_19 H_GB1_24 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e- OE2_GB1_19 CB_GB1_24 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 199 OE2_GB1_19 O_GB1_24 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 201 OE2_GB1_19 H_GB1_25 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 203 -OE2_GB1_19 CB_GB1_25 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 205 +OE2_GB1_19 CB_GB1_25 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 205 OE2_GB1_19 CG2_GB1_25 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 207 OE2_GB1_19 O_GB1_25 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 209 OE2_GB1_19 H_GB1_26 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 211 OE2_GB1_19 CB_GB1_26 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 213 OE2_GB1_19 O_GB1_26 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 215 OE2_GB1_19 H_GB1_27 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 217 -OE2_GB1_19 CB_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 219 -OE2_GB1_19 CG_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 220 +OE2_GB1_19 CB_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 219 +OE2_GB1_19 CG_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 220 OE2_GB1_19 OE1_GB1_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 222 OE2_GB1_19 OE2_GB1_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 223 OE2_GB1_19 O_GB1_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 225 OE2_GB1_19 H_GB1_28 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 227 -OE2_GB1_19 CB_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 229 -OE2_GB1_19 CG_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 230 -OE2_GB1_19 CD_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 231 -OE2_GB1_19 CE_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 232 +OE2_GB1_19 CB_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 229 +OE2_GB1_19 CG_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 230 +OE2_GB1_19 CD_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 231 +OE2_GB1_19 CE_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 232 OE2_GB1_19 O_GB1_28 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 235 OE2_GB1_19 H_GB1_29 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 237 -OE2_GB1_19 CB_GB1_29 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 239 +OE2_GB1_19 CB_GB1_29 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 239 OE2_GB1_19 CG1_GB1_29 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 240 OE2_GB1_19 CG2_GB1_29 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 241 OE2_GB1_19 O_GB1_29 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 243 OE2_GB1_19 H_GB1_30 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 245 -OE2_GB1_19 CB_GB1_30 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 247 +OE2_GB1_19 CB_GB1_30 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 247 OE2_GB1_19 O_GB1_30 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 255 OE2_GB1_19 H_GB1_31 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 257 -OE2_GB1_19 CB_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 259 -OE2_GB1_19 CG_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 260 -OE2_GB1_19 CD_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 261 -OE2_GB1_19 CE_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 262 +OE2_GB1_19 CB_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 259 +OE2_GB1_19 CG_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 260 +OE2_GB1_19 CD_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 261 +OE2_GB1_19 CE_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 262 OE2_GB1_19 O_GB1_31 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 265 OE2_GB1_19 H_GB1_32 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 267 -OE2_GB1_19 CB_GB1_32 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 269 -OE2_GB1_19 CG_GB1_32 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 270 +OE2_GB1_19 CB_GB1_32 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 269 +OE2_GB1_19 CG_GB1_32 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 270 OE2_GB1_19 OE1_GB1_32 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 272 OE2_GB1_19 O_GB1_32 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 275 OE2_GB1_19 H_GB1_33 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 277 -OE2_GB1_19 CB_GB1_33 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 279 +OE2_GB1_19 CB_GB1_33 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 279 OE2_GB1_19 O_GB1_33 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 288 OE2_GB1_19 H_GB1_34 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 290 OE2_GB1_19 CB_GB1_34 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 292 OE2_GB1_19 O_GB1_34 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 294 OE2_GB1_19 H_GB1_35 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 296 -OE2_GB1_19 CB_GB1_35 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 298 +OE2_GB1_19 CB_GB1_35 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 298 OE2_GB1_19 OD1_GB1_35 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 300 OE2_GB1_19 O_GB1_35 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 303 OE2_GB1_19 H_GB1_36 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 305 -OE2_GB1_19 CB_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 307 +OE2_GB1_19 CB_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 307 OE2_GB1_19 OD1_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 309 OE2_GB1_19 OD2_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 310 OE2_GB1_19 O_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 312 OE2_GB1_19 H_GB1_37 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 314 -OE2_GB1_19 CB_GB1_37 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 316 +OE2_GB1_19 CB_GB1_37 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 316 OE2_GB1_19 OD1_GB1_37 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 318 OE2_GB1_19 O_GB1_37 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 321 OE2_GB1_19 H_GB1_38 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 323 -OE2_GB1_19 CA_GB1_38 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 324 +OE2_GB1_19 CA_GB1_38 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 324 OE2_GB1_19 O_GB1_38 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 326 OE2_GB1_19 H_GB1_39 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 328 -OE2_GB1_19 CB_GB1_39 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 330 +OE2_GB1_19 CB_GB1_39 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 330 OE2_GB1_19 CG1_GB1_39 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 331 OE2_GB1_19 CG2_GB1_39 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 332 OE2_GB1_19 O_GB1_39 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 334 OE2_GB1_19 H_GB1_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 336 -OE2_GB1_19 CB_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 338 +OE2_GB1_19 CB_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 338 OE2_GB1_19 OD1_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 340 OE2_GB1_19 OD2_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 341 OE2_GB1_19 O_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 343 OE2_GB1_19 H_GB1_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 345 -OE2_GB1_19 CA_GB1_41 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 346 +OE2_GB1_19 CA_GB1_41 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 346 OE2_GB1_19 O_GB1_41 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 348 OE2_GB1_19 H_GB1_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 350 -OE2_GB1_19 CB_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 352 -OE2_GB1_19 CG_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 353 +OE2_GB1_19 CB_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 352 +OE2_GB1_19 CG_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 353 OE2_GB1_19 OE1_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 355 OE2_GB1_19 OE2_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 356 OE2_GB1_19 O_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 358 OE2_GB1_19 H_GB1_43 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 360 -OE2_GB1_19 CB_GB1_43 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 362 +OE2_GB1_19 CB_GB1_43 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 362 OE2_GB1_19 O_GB1_43 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 373 OE2_GB1_19 H_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 375 -OE2_GB1_19 CB_GB1_44 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 377 +OE2_GB1_19 CB_GB1_44 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 377 OE2_GB1_19 CG2_GB1_44 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 379 OE2_GB1_19 O_GB1_44 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 381 OE2_GB1_19 H_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 383 -OE2_GB1_19 CB_GB1_45 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 385 +OE2_GB1_19 CB_GB1_45 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 385 OE2_GB1_19 O_GB1_45 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 394 OE2_GB1_19 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 396 -OE2_GB1_19 CB_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 398 +OE2_GB1_19 CB_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 398 OE2_GB1_19 OD1_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 400 OE2_GB1_19 OD2_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 401 OE2_GB1_19 O_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 403 OE2_GB1_19 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 405 -OE2_GB1_19 CB_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 407 +OE2_GB1_19 CB_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 407 OE2_GB1_19 OD1_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 409 OE2_GB1_19 OD2_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 410 OE2_GB1_19 O_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 412 @@ -25384,114 +25384,114 @@ OE2_GB1_19 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e- OE2_GB1_19 CB_GB1_48 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 416 OE2_GB1_19 O_GB1_48 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 418 OE2_GB1_19 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 420 -OE2_GB1_19 CB_GB1_49 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 422 +OE2_GB1_19 CB_GB1_49 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 422 OE2_GB1_19 CG2_GB1_49 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 424 OE2_GB1_19 O_GB1_49 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 426 OE2_GB1_19 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 428 -OE2_GB1_19 CB_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 430 -OE2_GB1_19 CG_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 431 -OE2_GB1_19 CD_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 432 -OE2_GB1_19 CE_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 433 +OE2_GB1_19 CB_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 430 +OE2_GB1_19 CG_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 431 +OE2_GB1_19 CD_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 432 +OE2_GB1_19 CE_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 433 OE2_GB1_19 O_GB1_50 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 436 OE2_GB1_19 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 438 -OE2_GB1_19 CB_GB1_51 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 440 +OE2_GB1_19 CB_GB1_51 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 440 OE2_GB1_19 CG2_GB1_51 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 442 OE2_GB1_19 O_GB1_51 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 444 OE2_GB1_19 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 446 -OE2_GB1_19 CB_GB1_52 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 448 +OE2_GB1_19 CB_GB1_52 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 448 OE2_GB1_19 O_GB1_52 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 456 OE2_GB1_19 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 458 -OE2_GB1_19 CB_GB1_53 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 460 +OE2_GB1_19 CB_GB1_53 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 460 OE2_GB1_19 CG2_GB1_53 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 462 OE2_GB1_19 O_GB1_53 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 464 OE2_GB1_19 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 466 -OE2_GB1_19 CB_GB1_54 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 468 +OE2_GB1_19 CB_GB1_54 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 468 OE2_GB1_19 CG1_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 469 OE2_GB1_19 CG2_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 470 OE2_GB1_19 O_GB1_54 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 472 OE2_GB1_19 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 474 -OE2_GB1_19 CB_GB1_55 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 476 +OE2_GB1_19 CB_GB1_55 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 476 OE2_GB1_19 CG2_GB1_55 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 478 OE2_GB1_19 O_GB1_55 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 480 OE2_GB1_19 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 482 -OE2_GB1_19 CB_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 484 -OE2_GB1_19 CG_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 485 +OE2_GB1_19 CB_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 484 +OE2_GB1_19 CG_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 485 OE2_GB1_19 OE1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 487 OE2_GB1_19 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 488 OE2_GB1_19 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 490 OE2_GB1_19 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 164 491 - C_GB1_19 CB_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 170 - C_GB1_19 O_GB1_20 1 0.000000e+00 6.909447e-07 ; 2.731798e-01 -6.909447e-07 9.999858e-01 8.355269e-01 0.004395 0.001132 True md_ensemble 4 165 172 - C_GB1_19 N_GB1_21 1 0.000000e+00 2.399407e-06 ; 3.030426e-01 -2.399407e-06 3.701536e-01 9.611155e-01 0.004395 0.001132 True md_ensemble 4 165 173 + C_GB1_19 CB_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 170 + C_GB1_19 O_GB1_20 1 0.000000e+00 6.909416e-07 ; 2.731797e-01 -6.909416e-07 9.999858e-01 8.355269e-01 0.004395 0.001132 True md_ensemble 4 165 172 + C_GB1_19 N_GB1_21 1 0.000000e+00 2.399373e-06 ; 3.030422e-01 -2.399373e-06 3.701536e-01 9.611155e-01 0.004395 0.001132 True md_ensemble 4 165 173 C_GB1_19 CA_GB1_21 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 3.643792e-03 8.518608e-01 0.004395 0.001132 True md_ensemble 5 165 175 - C_GB1_19 CB_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 176 - C_GB1_19 CG1_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 177 - C_GB1_19 CG2_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 178 + C_GB1_19 CB_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 176 + C_GB1_19 CG1_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 177 + C_GB1_19 CG2_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 178 C_GB1_19 C_GB1_21 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 0.000000e+00 2.370928e-01 0.004395 0.001132 True md_ensemble 6 165 179 - C_GB1_19 CB_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 184 - C_GB1_19 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 193 - C_GB1_19 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 199 - C_GB1_19 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 205 - C_GB1_19 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 207 - C_GB1_19 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 213 - C_GB1_19 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 219 - C_GB1_19 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 220 - C_GB1_19 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 229 - C_GB1_19 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 230 - C_GB1_19 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 231 - C_GB1_19 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 232 - C_GB1_19 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 239 - C_GB1_19 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 240 - C_GB1_19 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 241 - C_GB1_19 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 247 - C_GB1_19 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 259 - C_GB1_19 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 260 - C_GB1_19 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 261 - C_GB1_19 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 262 - C_GB1_19 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 269 - C_GB1_19 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 270 - C_GB1_19 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 279 - C_GB1_19 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 292 - C_GB1_19 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 298 - C_GB1_19 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 307 - C_GB1_19 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 316 - C_GB1_19 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 324 - C_GB1_19 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 330 - C_GB1_19 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 331 - C_GB1_19 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 332 - C_GB1_19 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 338 - C_GB1_19 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 346 - C_GB1_19 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 352 - C_GB1_19 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 353 - C_GB1_19 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 362 - C_GB1_19 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 377 - C_GB1_19 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 379 - C_GB1_19 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 385 - C_GB1_19 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 398 - C_GB1_19 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 407 - C_GB1_19 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 416 - C_GB1_19 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 422 - C_GB1_19 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 424 - C_GB1_19 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 430 - C_GB1_19 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 431 - C_GB1_19 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 432 - C_GB1_19 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 433 - C_GB1_19 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 440 - C_GB1_19 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 442 - C_GB1_19 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 448 - C_GB1_19 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 460 - C_GB1_19 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 462 - C_GB1_19 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 468 - C_GB1_19 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 469 - C_GB1_19 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 470 - C_GB1_19 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 476 - C_GB1_19 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 478 - C_GB1_19 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 484 - C_GB1_19 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 485 + C_GB1_19 CB_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 184 + C_GB1_19 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 193 + C_GB1_19 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 199 + C_GB1_19 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 205 + C_GB1_19 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 207 + C_GB1_19 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 213 + C_GB1_19 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 219 + C_GB1_19 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 220 + C_GB1_19 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 229 + C_GB1_19 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 230 + C_GB1_19 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 231 + C_GB1_19 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 232 + C_GB1_19 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 239 + C_GB1_19 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 240 + C_GB1_19 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 241 + C_GB1_19 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 247 + C_GB1_19 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 259 + C_GB1_19 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 260 + C_GB1_19 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 261 + C_GB1_19 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 262 + C_GB1_19 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 269 + C_GB1_19 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 270 + C_GB1_19 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 279 + C_GB1_19 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 292 + C_GB1_19 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 298 + C_GB1_19 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 307 + C_GB1_19 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 316 + C_GB1_19 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 324 + C_GB1_19 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 330 + C_GB1_19 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 331 + C_GB1_19 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 332 + C_GB1_19 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 338 + C_GB1_19 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 346 + C_GB1_19 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 352 + C_GB1_19 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 353 + C_GB1_19 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 362 + C_GB1_19 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 377 + C_GB1_19 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 379 + C_GB1_19 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 385 + C_GB1_19 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 398 + C_GB1_19 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 407 + C_GB1_19 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 416 + C_GB1_19 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 422 + C_GB1_19 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 424 + C_GB1_19 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 430 + C_GB1_19 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 431 + C_GB1_19 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 432 + C_GB1_19 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 433 + C_GB1_19 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 440 + C_GB1_19 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 442 + C_GB1_19 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 448 + C_GB1_19 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 460 + C_GB1_19 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 462 + C_GB1_19 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 468 + C_GB1_19 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 469 + C_GB1_19 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 470 + C_GB1_19 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 476 + C_GB1_19 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 478 + C_GB1_19 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 484 + C_GB1_19 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 165 485 O_GB1_19 O_GB1_19 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 166 166 O_GB1_19 H_GB1_20 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 166 168 O_GB1_19 CB_GB1_20 1 0.000000e+00 1.503400e-06 ; 2.914637e-01 -1.503400e-06 9.999982e-01 9.996045e-01 0.004395 0.001132 True md_ensemble 4 166 170 - O_GB1_19 C_GB1_20 1 0.000000e+00 8.197922e-07 ; 2.771003e-01 -8.197922e-07 9.983294e-01 9.896823e-01 0.004395 0.001132 True md_ensemble 4 166 171 + O_GB1_19 C_GB1_20 1 0.000000e+00 8.197884e-07 ; 2.771002e-01 -8.197884e-07 9.983294e-01 9.896823e-01 0.004395 0.001132 True md_ensemble 4 166 171 O_GB1_19 O_GB1_20 1 0.000000e+00 1.905582e-06 ; 2.972788e-01 -1.905582e-06 5.091457e-01 7.795340e-01 0.004395 0.001132 True md_ensemble 5 166 172 O_GB1_19 N_GB1_21 1 0.000000e+00 2.732752e-06 ; 3.063456e-01 -2.732752e-06 3.009068e-02 8.519255e-01 0.004395 0.001132 True md_ensemble 5 166 173 O_GB1_19 H_GB1_21 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 166 174 @@ -25650,111 +25650,111 @@ OE2_GB1_19 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- O_GB1_19 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 166 488 O_GB1_19 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 166 490 O_GB1_19 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 166 491 - N_GB1_20 CB_GB1_20 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 170 - N_GB1_20 CA_GB1_21 1 0.000000e+00 7.574990e-06 ; 3.335110e-01 -7.574990e-06 1.000000e+00 9.999994e-01 0.004395 0.001132 True md_ensemble 4 167 175 - N_GB1_20 CB_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 176 - N_GB1_20 CG1_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 177 - N_GB1_20 CG2_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 178 + N_GB1_20 CB_GB1_20 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 170 + N_GB1_20 CA_GB1_21 1 0.000000e+00 7.574978e-06 ; 3.335110e-01 -7.574978e-06 1.000000e+00 9.999994e-01 0.004395 0.001132 True md_ensemble 4 167 175 + N_GB1_20 CB_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 176 + N_GB1_20 CG1_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 177 + N_GB1_20 CG2_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 178 N_GB1_20 C_GB1_21 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 0.000000e+00 1.118938e-01 0.004395 0.001132 True md_ensemble 5 167 179 N_GB1_20 O_GB1_21 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 3.524250e-05 2.076380e-01 0.004395 0.001132 True md_ensemble 6 167 180 N_GB1_20 N_GB1_22 1 0.000000e+00 8.752940e-07 ; 2.786171e-01 -8.752940e-07 0.000000e+00 5.073354e-02 0.004395 0.001132 True md_ensemble 6 167 181 - N_GB1_20 CB_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 184 + N_GB1_20 CB_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 184 N_GB1_20 N_GB1_23 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 7.874629e-04 0.004395 0.001132 True md_ensemble 7 167 190 - N_GB1_20 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 193 + N_GB1_20 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 193 N_GB1_20 N_GB1_24 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 9.540198e-06 0.004395 0.001132 True md_ensemble 7 167 196 - N_GB1_20 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 199 + N_GB1_20 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 199 N_GB1_20 N_GB1_25 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 167 202 - N_GB1_20 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 205 - N_GB1_20 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 207 + N_GB1_20 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 205 + N_GB1_20 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 207 N_GB1_20 N_GB1_26 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 167 210 - N_GB1_20 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 213 + N_GB1_20 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 213 N_GB1_20 N_GB1_27 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 167 216 - N_GB1_20 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 219 - N_GB1_20 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 220 + N_GB1_20 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 219 + N_GB1_20 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 220 N_GB1_20 N_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 167 226 - N_GB1_20 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 229 - N_GB1_20 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 230 - N_GB1_20 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 231 - N_GB1_20 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 232 + N_GB1_20 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 229 + N_GB1_20 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 230 + N_GB1_20 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 231 + N_GB1_20 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 232 N_GB1_20 NZ_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 3.584338e-04 0.004395 0.001132 True md_ensemble 7 167 233 N_GB1_20 N_GB1_29 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 167 236 - N_GB1_20 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 239 - N_GB1_20 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 240 - N_GB1_20 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 241 + N_GB1_20 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 239 + N_GB1_20 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 240 + N_GB1_20 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 241 N_GB1_20 N_GB1_30 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 167 244 - N_GB1_20 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 247 + N_GB1_20 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 247 N_GB1_20 N_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 167 256 - N_GB1_20 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 259 - N_GB1_20 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 260 - N_GB1_20 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 261 - N_GB1_20 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 262 + N_GB1_20 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 259 + N_GB1_20 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 260 + N_GB1_20 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 261 + N_GB1_20 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 262 N_GB1_20 NZ_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 4.559507e-06 0.004395 0.001132 True md_ensemble 7 167 263 N_GB1_20 N_GB1_32 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 167 266 - N_GB1_20 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 269 - N_GB1_20 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 270 + N_GB1_20 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 269 + N_GB1_20 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 270 N_GB1_20 N_GB1_33 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 167 276 - N_GB1_20 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 279 + N_GB1_20 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 279 N_GB1_20 N_GB1_34 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 167 289 - N_GB1_20 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 292 + N_GB1_20 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 292 N_GB1_20 N_GB1_35 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 167 295 - N_GB1_20 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 298 + N_GB1_20 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 298 N_GB1_20 N_GB1_36 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 167 304 - N_GB1_20 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 307 + N_GB1_20 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 307 N_GB1_20 N_GB1_37 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 167 313 - N_GB1_20 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 316 + N_GB1_20 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 316 N_GB1_20 N_GB1_38 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 167 322 - N_GB1_20 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 324 + N_GB1_20 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 324 N_GB1_20 N_GB1_39 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 167 327 - N_GB1_20 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 330 - N_GB1_20 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 331 - N_GB1_20 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 332 + N_GB1_20 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 330 + N_GB1_20 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 331 + N_GB1_20 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 332 N_GB1_20 N_GB1_40 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 167 335 - N_GB1_20 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 338 + N_GB1_20 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 338 N_GB1_20 N_GB1_41 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 167 344 - N_GB1_20 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 346 + N_GB1_20 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 346 N_GB1_20 N_GB1_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 167 349 - N_GB1_20 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 352 - N_GB1_20 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 353 + N_GB1_20 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 352 + N_GB1_20 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 353 N_GB1_20 N_GB1_43 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 167 359 - N_GB1_20 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 362 + N_GB1_20 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 362 N_GB1_20 N_GB1_44 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 167 374 - N_GB1_20 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 377 - N_GB1_20 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 379 + N_GB1_20 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 377 + N_GB1_20 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 379 N_GB1_20 N_GB1_45 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 167 382 - N_GB1_20 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 385 + N_GB1_20 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 385 N_GB1_20 N_GB1_46 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 167 395 - N_GB1_20 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 398 + N_GB1_20 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 398 N_GB1_20 N_GB1_47 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 167 404 - N_GB1_20 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 407 + N_GB1_20 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 407 N_GB1_20 N_GB1_48 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 167 413 - N_GB1_20 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 416 + N_GB1_20 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 416 N_GB1_20 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 167 419 - N_GB1_20 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 422 - N_GB1_20 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 424 + N_GB1_20 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 422 + N_GB1_20 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 424 N_GB1_20 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 167 427 - N_GB1_20 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 430 - N_GB1_20 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 431 - N_GB1_20 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 432 - N_GB1_20 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 433 + N_GB1_20 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 430 + N_GB1_20 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 431 + N_GB1_20 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 432 + N_GB1_20 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 433 N_GB1_20 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 167 434 N_GB1_20 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 167 437 - N_GB1_20 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 440 - N_GB1_20 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 442 + N_GB1_20 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 440 + N_GB1_20 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 442 N_GB1_20 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 167 445 - N_GB1_20 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 448 + N_GB1_20 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 448 N_GB1_20 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 167 457 - N_GB1_20 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 460 - N_GB1_20 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 462 + N_GB1_20 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 460 + N_GB1_20 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 462 N_GB1_20 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 167 465 - N_GB1_20 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 468 - N_GB1_20 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 469 - N_GB1_20 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 470 + N_GB1_20 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 468 + N_GB1_20 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 469 + N_GB1_20 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 470 N_GB1_20 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 167 473 - N_GB1_20 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 476 - N_GB1_20 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 478 + N_GB1_20 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 476 + N_GB1_20 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 478 N_GB1_20 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 167 481 - N_GB1_20 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 484 - N_GB1_20 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 485 + N_GB1_20 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 484 + N_GB1_20 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 167 485 H_GB1_20 H_GB1_20 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 168 168 H_GB1_20 O_GB1_20 1 6.409583e-06 1.444669e-10 ; 1.680698e-01 7.109373e-02 9.991734e-01 2.518695e-01 0.004395 0.001132 True md_ensemble 4 168 172 H_GB1_20 H_GB1_21 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 168 174 @@ -25857,14 +25857,14 @@ OE2_GB1_19 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- H_GB1_20 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 168 488 H_GB1_20 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 168 490 H_GB1_20 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 168 491 - CA_GB1_20 CB_GB1_21 1 0.000000e+00 6.555529e-05 ; 3.992200e-01 -6.555529e-05 1.000000e+00 9.999931e-01 0.004395 0.001132 True md_ensemble 4 169 176 - CA_GB1_20 CG1_GB1_21 1 0.000000e+00 3.494870e-05 ; 3.788328e-01 -3.494870e-05 1.397172e-01 6.119910e-01 0.004395 0.001132 True md_ensemble 5 169 177 - CA_GB1_20 CG2_GB1_21 1 0.000000e+00 2.123416e-05 ; 3.634248e-01 -2.123416e-05 9.652060e-01 8.597312e-01 0.004395 0.001132 True md_ensemble 5 169 178 - CA_GB1_20 C_GB1_21 1 0.000000e+00 1.305193e-05 ; 3.489806e-01 -1.305193e-05 9.999949e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 169 179 - CA_GB1_20 O_GB1_21 1 0.000000e+00 5.565073e-06 ; 3.250505e-01 -5.565073e-06 2.425304e-01 5.823835e-01 0.004395 0.001132 True md_ensemble 5 169 180 - CA_GB1_20 N_GB1_22 1 0.000000e+00 4.008872e-06 ; 3.162862e-01 -4.008872e-06 9.974934e-01 5.267178e-01 0.004395 0.001132 True md_ensemble 5 169 181 - CA_GB1_20 CA_GB1_22 1 0.000000e+00 3.440821e-05 ; 3.783411e-01 -3.440821e-05 9.937643e-01 5.186338e-01 0.004395 0.001132 True md_ensemble 6 169 183 - CA_GB1_20 CB_GB1_22 1 0.000000e+00 3.656099e-05 ; 3.802593e-01 -3.656099e-05 2.536219e-02 1.745853e-01 0.004395 0.007117 True md_ensemble 7 169 184 + CA_GB1_20 CB_GB1_21 1 0.000000e+00 6.555577e-05 ; 3.992203e-01 -6.555577e-05 1.000000e+00 9.999931e-01 0.004395 0.001132 True md_ensemble 4 169 176 + CA_GB1_20 CG1_GB1_21 1 0.000000e+00 3.494869e-05 ; 3.788328e-01 -3.494869e-05 1.397172e-01 6.119910e-01 0.004395 0.001132 True md_ensemble 5 169 177 + CA_GB1_20 CG2_GB1_21 1 0.000000e+00 2.123415e-05 ; 3.634248e-01 -2.123415e-05 9.652060e-01 8.597312e-01 0.004395 0.001132 True md_ensemble 5 169 178 + CA_GB1_20 C_GB1_21 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 9.999949e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 169 179 + CA_GB1_20 O_GB1_21 1 0.000000e+00 5.565117e-06 ; 3.250508e-01 -5.565117e-06 2.425304e-01 5.823835e-01 0.004395 0.001132 True md_ensemble 5 169 180 + CA_GB1_20 N_GB1_22 1 0.000000e+00 4.008866e-06 ; 3.162861e-01 -4.008866e-06 9.974934e-01 5.267178e-01 0.004395 0.001132 True md_ensemble 5 169 181 + CA_GB1_20 CA_GB1_22 1 0.000000e+00 3.440846e-05 ; 3.783413e-01 -3.440846e-05 9.937643e-01 5.186338e-01 0.004395 0.001132 True md_ensemble 6 169 183 + CA_GB1_20 CB_GB1_22 1 0.000000e+00 3.656083e-05 ; 3.802591e-01 -3.656083e-05 2.536219e-02 1.745853e-01 0.004395 0.007117 True md_ensemble 7 169 184 CA_GB1_20 C_GB1_22 1 9.622642e-03 1.281179e-04 ; 4.868396e-01 1.806836e-01 3.382252e-01 7.638834e-02 0.004395 0.008482 True md_ensemble 7 169 188 CA_GB1_20 O_GB1_22 1 5.216556e-03 3.097431e-05 ; 4.255360e-01 2.196373e-01 6.008267e-01 6.377727e-02 0.004395 0.008483 True md_ensemble 7 169 189 CA_GB1_20 CA_GB1_25 1 3.173458e-02 9.247611e-04 ; 5.547315e-01 2.722551e-01 2.607099e-01 7.619612e-03 0.004395 0.006476 True md_ensemble 7 169 204 @@ -25875,31 +25875,31 @@ OE2_GB1_19 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- CA_GB1_20 N_GB1_26 1 9.694779e-03 9.929824e-05 ; 4.660158e-01 2.366325e-01 1.110900e-01 1.118449e-03 0.004395 0.008482 True md_ensemble 7 169 210 CA_GB1_20 CA_GB1_26 1 2.523939e-02 4.885330e-04 ; 5.181663e-01 3.259898e-01 9.218818e-01 9.508535e-03 0.004395 0.006476 True md_ensemble 7 169 212 CA_GB1_20 CB_GB1_26 1 1.732343e-02 2.197658e-04 ; 4.829339e-01 3.413874e-01 8.629591e-01 1.097105e-02 0.004395 0.010759 True md_ensemble 7 169 213 - CB_GB1_20 C_GB1_20 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 171 + CB_GB1_20 C_GB1_20 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 171 CB_GB1_20 O_GB1_20 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 172 - CB_GB1_20 N_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 173 - CB_GB1_20 CA_GB1_21 1 0.000000e+00 2.373829e-05 ; 3.668167e-01 -2.373829e-05 9.999842e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 170 175 - CB_GB1_20 CB_GB1_21 1 0.000000e+00 1.947007e-05 ; 3.608076e-01 -1.947007e-05 9.987407e-01 8.189505e-01 0.004395 0.001132 True md_ensemble 5 170 176 - CB_GB1_20 CG1_GB1_21 1 0.000000e+00 1.026830e-05 ; 3.420739e-01 -1.026830e-05 8.389163e-03 2.029945e-01 0.004395 0.001132 True md_ensemble 6 170 177 - CB_GB1_20 CG2_GB1_21 1 0.000000e+00 1.033248e-05 ; 3.422515e-01 -1.033248e-05 7.950795e-02 2.815796e-01 0.004395 0.001132 True md_ensemble 6 170 178 - CB_GB1_20 C_GB1_21 1 0.000000e+00 1.293024e-06 ; 2.878252e-01 -1.293024e-06 9.973234e-01 2.709146e-01 0.004395 0.001132 True md_ensemble 5 170 179 + CB_GB1_20 N_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 173 + CB_GB1_20 CA_GB1_21 1 0.000000e+00 2.373827e-05 ; 3.668167e-01 -2.373827e-05 9.999842e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 170 175 + CB_GB1_20 CB_GB1_21 1 0.000000e+00 1.947006e-05 ; 3.608075e-01 -1.947006e-05 9.987407e-01 8.189505e-01 0.004395 0.001132 True md_ensemble 5 170 176 + CB_GB1_20 CG1_GB1_21 1 0.000000e+00 1.026822e-05 ; 3.420736e-01 -1.026822e-05 8.389163e-03 2.029945e-01 0.004395 0.001132 True md_ensemble 6 170 177 + CB_GB1_20 CG2_GB1_21 1 0.000000e+00 1.033239e-05 ; 3.422513e-01 -1.033239e-05 7.950795e-02 2.815796e-01 0.004395 0.001132 True md_ensemble 6 170 178 + CB_GB1_20 C_GB1_21 1 0.000000e+00 1.293007e-06 ; 2.878249e-01 -1.293007e-06 9.973234e-01 2.709146e-01 0.004395 0.001132 True md_ensemble 5 170 179 CB_GB1_20 O_GB1_21 1 0.000000e+00 1.628449e-06 ; 2.934109e-01 -1.628449e-06 1.276002e-02 9.551161e-02 0.004395 0.001132 True md_ensemble 6 170 180 CB_GB1_20 N_GB1_22 1 1.209513e-03 3.447781e-06 ; 3.765490e-01 1.060770e-01 9.632260e-01 1.232465e-01 0.004395 0.001132 True md_ensemble 6 170 181 CB_GB1_20 CA_GB1_22 1 8.193149e-03 7.663063e-05 ; 4.590133e-01 2.189976e-01 9.777657e-01 1.332808e-01 0.004395 0.010759 True md_ensemble 7 170 183 CB_GB1_20 CB_GB1_22 1 6.423811e-03 7.617369e-05 ; 4.775315e-01 1.354318e-01 9.015019e-02 7.011580e-02 0.004395 0.012151 True md_ensemble 7 170 184 - CB_GB1_20 CG_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 185 + CB_GB1_20 CG_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 185 CB_GB1_20 OD1_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 186 CB_GB1_20 OD2_GB1_22 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 187 CB_GB1_20 C_GB1_22 1 3.121993e-03 1.555438e-05 ; 4.132728e-01 1.566575e-01 8.048425e-01 3.863419e-02 0.004395 0.001132 True md_ensemble 7 170 188 CB_GB1_20 O_GB1_22 1 1.072904e-03 1.089630e-06 ; 3.170441e-01 2.641085e-01 9.649202e-01 4.008943e-02 0.004395 0.007862 True md_ensemble 7 170 189 - CB_GB1_20 N_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 190 + CB_GB1_20 N_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 190 CB_GB1_20 CA_GB1_23 1 1.201695e-02 2.162871e-04 ; 5.119247e-01 1.669160e-01 1.776264e-01 6.644488e-02 0.004395 0.010759 True md_ensemble 7 170 192 - CB_GB1_20 C_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 194 + CB_GB1_20 C_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 194 CB_GB1_20 O_GB1_23 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 195 - CB_GB1_20 N_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 196 - CB_GB1_20 C_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 200 + CB_GB1_20 N_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 196 + CB_GB1_20 C_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 200 CB_GB1_20 O_GB1_24 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 201 - CB_GB1_20 N_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 202 + CB_GB1_20 N_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 202 CB_GB1_20 CA_GB1_25 1 1.270796e-02 1.185936e-04 ; 4.588431e-01 3.404320e-01 8.307235e-01 8.629102e-03 0.004395 0.010759 True md_ensemble 7 170 204 CB_GB1_20 CB_GB1_25 1 3.924157e-03 1.220634e-05 ; 3.820673e-01 3.153896e-01 9.752674e-01 2.052251e-02 0.004395 0.010759 True md_ensemble 7 170 205 CB_GB1_20 OG1_GB1_25 1 5.339385e-04 6.205694e-07 ; 3.242524e-01 1.148503e-01 1.128669e-01 1.218315e-02 0.004395 0.001132 True md_ensemble 7 170 206 @@ -25911,220 +25911,220 @@ OE2_GB1_19 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- CB_GB1_20 CB_GB1_26 1 2.650739e-03 5.021545e-06 ; 3.517589e-01 3.498134e-01 9.963902e-01 9.584220e-03 0.004395 0.020717 True md_ensemble 7 170 213 CB_GB1_20 C_GB1_26 1 4.302288e-03 3.754193e-05 ; 4.537356e-01 1.232600e-01 1.339894e-02 1.228770e-03 0.004395 0.001132 True md_ensemble 7 170 214 CB_GB1_20 O_GB1_26 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 215 - CB_GB1_20 N_GB1_27 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 216 - CB_GB1_20 CD_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 221 + CB_GB1_20 N_GB1_27 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 216 + CB_GB1_20 CD_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 221 CB_GB1_20 OE1_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 222 CB_GB1_20 OE2_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 223 - CB_GB1_20 C_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 224 + CB_GB1_20 C_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 224 CB_GB1_20 O_GB1_27 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 225 - CB_GB1_20 N_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 226 - CB_GB1_20 NZ_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 233 - CB_GB1_20 C_GB1_28 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 234 + CB_GB1_20 N_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 226 + CB_GB1_20 NZ_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 233 + CB_GB1_20 C_GB1_28 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 234 CB_GB1_20 O_GB1_28 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 235 - CB_GB1_20 N_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 236 + CB_GB1_20 N_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 236 CB_GB1_20 CB_GB1_29 1 7.477378e-03 1.253146e-04 ; 5.058737e-01 1.115416e-01 9.832482e-03 3.481689e-03 0.004395 0.010759 True md_ensemble 7 170 239 CB_GB1_20 CG1_GB1_29 1 2.129056e-03 1.567792e-05 ; 4.410795e-01 7.228129e-02 4.593787e-03 2.841004e-03 0.004395 0.020717 True md_ensemble 7 170 240 CB_GB1_20 CG2_GB1_29 1 5.768442e-03 5.057570e-05 ; 4.540955e-01 1.644808e-01 2.743493e-02 3.235543e-03 0.004395 0.020717 True md_ensemble 7 170 241 - CB_GB1_20 C_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 242 + CB_GB1_20 C_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 242 CB_GB1_20 O_GB1_29 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 243 - CB_GB1_20 N_GB1_30 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 244 - CB_GB1_20 C_GB1_30 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 254 + CB_GB1_20 N_GB1_30 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 244 + CB_GB1_20 C_GB1_30 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 254 CB_GB1_20 O_GB1_30 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 255 - CB_GB1_20 N_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 256 - CB_GB1_20 NZ_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 263 - CB_GB1_20 C_GB1_31 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 264 + CB_GB1_20 N_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 256 + CB_GB1_20 NZ_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 263 + CB_GB1_20 C_GB1_31 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 264 CB_GB1_20 O_GB1_31 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 265 - CB_GB1_20 N_GB1_32 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 266 - CB_GB1_20 CD_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 271 + CB_GB1_20 N_GB1_32 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 266 + CB_GB1_20 CD_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 271 CB_GB1_20 OE1_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 272 - CB_GB1_20 NE2_GB1_32 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 273 - CB_GB1_20 C_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 274 + CB_GB1_20 NE2_GB1_32 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 273 + CB_GB1_20 C_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 274 CB_GB1_20 O_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 275 - CB_GB1_20 N_GB1_33 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 276 - CB_GB1_20 OH_GB1_33 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 286 - CB_GB1_20 C_GB1_33 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 287 + CB_GB1_20 N_GB1_33 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 276 + CB_GB1_20 OH_GB1_33 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 286 + CB_GB1_20 C_GB1_33 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 287 CB_GB1_20 O_GB1_33 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 288 - CB_GB1_20 N_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 289 - CB_GB1_20 C_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 293 + CB_GB1_20 N_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 289 + CB_GB1_20 C_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 293 CB_GB1_20 O_GB1_34 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 294 - CB_GB1_20 N_GB1_35 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 295 - CB_GB1_20 CG_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 299 + CB_GB1_20 N_GB1_35 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 295 + CB_GB1_20 CG_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 299 CB_GB1_20 OD1_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 300 - CB_GB1_20 ND2_GB1_35 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 301 - CB_GB1_20 C_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 302 + CB_GB1_20 ND2_GB1_35 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 301 + CB_GB1_20 C_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 302 CB_GB1_20 O_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 303 - CB_GB1_20 N_GB1_36 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 304 - CB_GB1_20 CG_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 308 + CB_GB1_20 N_GB1_36 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 304 + CB_GB1_20 CG_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 308 CB_GB1_20 OD1_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 309 CB_GB1_20 OD2_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 310 - CB_GB1_20 C_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 311 + CB_GB1_20 C_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 311 CB_GB1_20 O_GB1_36 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 312 - CB_GB1_20 N_GB1_37 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 313 - CB_GB1_20 CG_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 317 + CB_GB1_20 N_GB1_37 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 313 + CB_GB1_20 CG_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 317 CB_GB1_20 OD1_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 318 - CB_GB1_20 ND2_GB1_37 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 319 - CB_GB1_20 C_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 320 + CB_GB1_20 ND2_GB1_37 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 319 + CB_GB1_20 C_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 320 CB_GB1_20 O_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 321 - CB_GB1_20 N_GB1_38 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 322 - CB_GB1_20 C_GB1_38 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 325 + CB_GB1_20 N_GB1_38 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 322 + CB_GB1_20 C_GB1_38 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 325 CB_GB1_20 O_GB1_38 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 326 - CB_GB1_20 N_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 327 - CB_GB1_20 C_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 333 + CB_GB1_20 N_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 327 + CB_GB1_20 C_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 333 CB_GB1_20 O_GB1_39 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 334 - CB_GB1_20 N_GB1_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 335 - CB_GB1_20 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 339 + CB_GB1_20 N_GB1_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 335 + CB_GB1_20 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 339 CB_GB1_20 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 340 CB_GB1_20 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 341 - CB_GB1_20 C_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 342 + CB_GB1_20 C_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 342 CB_GB1_20 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 343 - CB_GB1_20 N_GB1_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 344 - CB_GB1_20 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 347 + CB_GB1_20 N_GB1_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 344 + CB_GB1_20 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 347 CB_GB1_20 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 348 - CB_GB1_20 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 349 - CB_GB1_20 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 354 + CB_GB1_20 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 349 + CB_GB1_20 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 354 CB_GB1_20 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 355 CB_GB1_20 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 356 - CB_GB1_20 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 357 + CB_GB1_20 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 357 CB_GB1_20 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 358 - CB_GB1_20 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 359 - CB_GB1_20 NE1_GB1_43 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 366 - CB_GB1_20 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 372 + CB_GB1_20 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 359 + CB_GB1_20 NE1_GB1_43 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 366 + CB_GB1_20 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 372 CB_GB1_20 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 373 - CB_GB1_20 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 374 - CB_GB1_20 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 378 - CB_GB1_20 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 380 + CB_GB1_20 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 374 + CB_GB1_20 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 378 + CB_GB1_20 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 380 CB_GB1_20 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 381 - CB_GB1_20 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 382 - CB_GB1_20 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 392 - CB_GB1_20 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 393 + CB_GB1_20 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 382 + CB_GB1_20 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 392 + CB_GB1_20 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 393 CB_GB1_20 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 394 - CB_GB1_20 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 395 - CB_GB1_20 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 399 + CB_GB1_20 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 395 + CB_GB1_20 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 399 CB_GB1_20 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 400 CB_GB1_20 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 401 - CB_GB1_20 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 402 + CB_GB1_20 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 402 CB_GB1_20 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 403 - CB_GB1_20 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 404 - CB_GB1_20 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 408 + CB_GB1_20 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 404 + CB_GB1_20 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 408 CB_GB1_20 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 409 CB_GB1_20 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 410 - CB_GB1_20 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 411 + CB_GB1_20 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 411 CB_GB1_20 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 412 - CB_GB1_20 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 413 - CB_GB1_20 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 417 + CB_GB1_20 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 413 + CB_GB1_20 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 417 CB_GB1_20 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 418 - CB_GB1_20 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 419 - CB_GB1_20 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 423 - CB_GB1_20 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 425 + CB_GB1_20 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 419 + CB_GB1_20 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 423 + CB_GB1_20 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 425 CB_GB1_20 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 426 - CB_GB1_20 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 427 - CB_GB1_20 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 434 - CB_GB1_20 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 435 + CB_GB1_20 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 427 + CB_GB1_20 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 434 + CB_GB1_20 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 435 CB_GB1_20 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 436 - CB_GB1_20 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 437 - CB_GB1_20 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 441 - CB_GB1_20 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 443 + CB_GB1_20 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 437 + CB_GB1_20 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 441 + CB_GB1_20 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 443 CB_GB1_20 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 444 - CB_GB1_20 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 445 - CB_GB1_20 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 455 + CB_GB1_20 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 445 + CB_GB1_20 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 455 CB_GB1_20 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 456 - CB_GB1_20 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 457 - CB_GB1_20 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 461 - CB_GB1_20 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 463 + CB_GB1_20 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 457 + CB_GB1_20 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 461 + CB_GB1_20 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 463 CB_GB1_20 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 464 - CB_GB1_20 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 465 - CB_GB1_20 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 471 + CB_GB1_20 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 465 + CB_GB1_20 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 471 CB_GB1_20 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 472 - CB_GB1_20 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 473 - CB_GB1_20 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 477 - CB_GB1_20 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 479 + CB_GB1_20 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 473 + CB_GB1_20 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 477 + CB_GB1_20 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 479 CB_GB1_20 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 480 - CB_GB1_20 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 481 - CB_GB1_20 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 486 + CB_GB1_20 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 481 + CB_GB1_20 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 486 CB_GB1_20 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 487 CB_GB1_20 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 488 - CB_GB1_20 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 489 + CB_GB1_20 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 489 CB_GB1_20 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 490 CB_GB1_20 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 170 491 - C_GB1_20 CB_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 176 - C_GB1_20 CG1_GB1_21 1 0.000000e+00 4.678019e-06 ; 3.203811e-01 -4.678019e-06 9.983295e-01 9.881528e-01 0.004395 0.001132 True md_ensemble 4 171 177 - C_GB1_20 CG2_GB1_21 1 0.000000e+00 4.715790e-06 ; 3.205958e-01 -4.715790e-06 9.999270e-01 9.977421e-01 0.004395 0.001132 True md_ensemble 4 171 178 - C_GB1_20 O_GB1_21 1 0.000000e+00 7.685600e-07 ; 2.756141e-01 -7.685600e-07 9.814458e-01 9.108450e-01 0.004395 0.001132 True md_ensemble 4 171 180 - C_GB1_20 N_GB1_22 1 0.000000e+00 1.456063e-06 ; 2.906877e-01 -1.456063e-06 9.999172e-01 9.653808e-01 0.004395 0.001132 True md_ensemble 4 171 181 - C_GB1_20 CA_GB1_22 1 0.000000e+00 1.076102e-05 ; 3.434125e-01 -1.076102e-05 9.979489e-01 8.224306e-01 0.004395 0.001132 True md_ensemble 5 171 183 - C_GB1_20 CB_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 184 - C_GB1_20 C_GB1_22 1 0.000000e+00 2.591777e-06 ; 3.049965e-01 -2.591777e-06 1.152386e-01 1.126244e-01 0.004395 0.001132 True md_ensemble 6 171 188 + C_GB1_20 CB_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 176 + C_GB1_20 CG1_GB1_21 1 0.000000e+00 4.677958e-06 ; 3.203807e-01 -4.677958e-06 9.983295e-01 9.881528e-01 0.004395 0.001132 True md_ensemble 4 171 177 + C_GB1_20 CG2_GB1_21 1 0.000000e+00 4.715728e-06 ; 3.205955e-01 -4.715728e-06 9.999270e-01 9.977421e-01 0.004395 0.001132 True md_ensemble 4 171 178 + C_GB1_20 O_GB1_21 1 0.000000e+00 7.685565e-07 ; 2.756140e-01 -7.685565e-07 9.814458e-01 9.108450e-01 0.004395 0.001132 True md_ensemble 4 171 180 + C_GB1_20 N_GB1_22 1 0.000000e+00 1.456042e-06 ; 2.906874e-01 -1.456042e-06 9.999172e-01 9.653808e-01 0.004395 0.001132 True md_ensemble 4 171 181 + C_GB1_20 CA_GB1_22 1 0.000000e+00 1.076097e-05 ; 3.434124e-01 -1.076097e-05 9.979489e-01 8.224306e-01 0.004395 0.001132 True md_ensemble 5 171 183 + C_GB1_20 CB_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 184 + C_GB1_20 C_GB1_22 1 0.000000e+00 2.591731e-06 ; 3.049960e-01 -2.591731e-06 1.152386e-01 1.126244e-01 0.004395 0.001132 True md_ensemble 6 171 188 C_GB1_20 O_GB1_22 1 1.992232e-03 6.266208e-06 ; 3.827755e-01 1.583488e-01 1.324496e-01 6.298288e-02 0.004395 0.011584 True md_ensemble 7 171 189 - C_GB1_20 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 193 - C_GB1_20 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 199 + C_GB1_20 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 193 + C_GB1_20 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 199 C_GB1_20 CB_GB1_25 1 6.779190e-03 8.481242e-05 ; 4.818150e-01 1.354678e-01 9.695088e-02 7.017573e-03 0.004395 0.001132 True md_ensemble 7 171 205 C_GB1_20 OG1_GB1_25 1 1.675600e-03 4.388339e-06 ; 3.712687e-01 1.599486e-01 2.512766e-02 4.584339e-03 0.004395 0.011584 True md_ensemble 7 171 206 - C_GB1_20 CG2_GB1_25 1 0.000000e+00 4.719950e-06 ; 3.206194e-01 -4.719950e-06 7.634140e-03 6.329474e-03 0.004395 0.001132 True md_ensemble 7 171 207 - C_GB1_20 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 213 - C_GB1_20 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 219 - C_GB1_20 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 220 - C_GB1_20 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 229 - C_GB1_20 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 230 - C_GB1_20 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 231 - C_GB1_20 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 232 - C_GB1_20 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 239 - C_GB1_20 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 240 - C_GB1_20 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 241 - C_GB1_20 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 247 - C_GB1_20 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 259 - C_GB1_20 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 260 - C_GB1_20 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 261 - C_GB1_20 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 262 - C_GB1_20 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 269 - C_GB1_20 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 270 - C_GB1_20 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 279 - C_GB1_20 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 292 - C_GB1_20 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 298 - C_GB1_20 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 307 - C_GB1_20 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 316 - C_GB1_20 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 324 - C_GB1_20 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 330 - C_GB1_20 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 331 - C_GB1_20 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 332 - C_GB1_20 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 338 - C_GB1_20 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 346 - C_GB1_20 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 352 - C_GB1_20 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 353 - C_GB1_20 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 362 - C_GB1_20 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 377 - C_GB1_20 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 379 - C_GB1_20 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 385 - C_GB1_20 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 398 - C_GB1_20 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 407 - C_GB1_20 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 416 - C_GB1_20 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 422 - C_GB1_20 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 424 - C_GB1_20 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 430 - C_GB1_20 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 431 - C_GB1_20 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 432 - C_GB1_20 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 433 - C_GB1_20 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 440 - C_GB1_20 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 442 - C_GB1_20 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 448 - C_GB1_20 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 460 - C_GB1_20 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 462 - C_GB1_20 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 468 - C_GB1_20 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 469 - C_GB1_20 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 470 - C_GB1_20 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 476 - C_GB1_20 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 478 - C_GB1_20 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 484 - C_GB1_20 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 485 + C_GB1_20 CG2_GB1_25 1 0.000000e+00 4.719888e-06 ; 3.206190e-01 -4.719888e-06 7.634140e-03 6.329474e-03 0.004395 0.001132 True md_ensemble 7 171 207 + C_GB1_20 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 213 + C_GB1_20 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 219 + C_GB1_20 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 220 + C_GB1_20 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 229 + C_GB1_20 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 230 + C_GB1_20 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 231 + C_GB1_20 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 232 + C_GB1_20 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 239 + C_GB1_20 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 240 + C_GB1_20 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 241 + C_GB1_20 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 247 + C_GB1_20 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 259 + C_GB1_20 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 260 + C_GB1_20 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 261 + C_GB1_20 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 262 + C_GB1_20 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 269 + C_GB1_20 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 270 + C_GB1_20 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 279 + C_GB1_20 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 292 + C_GB1_20 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 298 + C_GB1_20 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 307 + C_GB1_20 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 316 + C_GB1_20 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 324 + C_GB1_20 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 330 + C_GB1_20 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 331 + C_GB1_20 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 332 + C_GB1_20 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 338 + C_GB1_20 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 346 + C_GB1_20 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 352 + C_GB1_20 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 353 + C_GB1_20 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 362 + C_GB1_20 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 377 + C_GB1_20 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 379 + C_GB1_20 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 385 + C_GB1_20 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 398 + C_GB1_20 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 407 + C_GB1_20 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 416 + C_GB1_20 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 422 + C_GB1_20 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 424 + C_GB1_20 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 430 + C_GB1_20 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 431 + C_GB1_20 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 432 + C_GB1_20 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 433 + C_GB1_20 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 440 + C_GB1_20 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 442 + C_GB1_20 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 448 + C_GB1_20 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 460 + C_GB1_20 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 462 + C_GB1_20 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 468 + C_GB1_20 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 469 + C_GB1_20 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 470 + C_GB1_20 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 476 + C_GB1_20 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 478 + C_GB1_20 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 484 + C_GB1_20 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 171 485 O_GB1_20 O_GB1_20 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 172 172 O_GB1_20 H_GB1_21 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 172 174 - O_GB1_20 CB_GB1_21 1 0.000000e+00 4.153495e-06 ; 3.172216e-01 -4.153495e-06 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 172 176 - O_GB1_20 CG1_GB1_21 1 0.000000e+00 1.925488e-06 ; 2.975364e-01 -1.925488e-06 1.446103e-01 4.248624e-01 0.004395 0.001132 True md_ensemble 5 172 177 + O_GB1_20 CB_GB1_21 1 0.000000e+00 4.153528e-06 ; 3.172218e-01 -4.153528e-06 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 172 176 + O_GB1_20 CG1_GB1_21 1 0.000000e+00 1.925489e-06 ; 2.975364e-01 -1.925489e-06 1.446103e-01 4.248624e-01 0.004395 0.001132 True md_ensemble 5 172 177 O_GB1_20 CG2_GB1_21 1 0.000000e+00 8.129803e-07 ; 2.769077e-01 -8.129803e-07 8.875347e-01 4.280831e-01 0.004395 0.001132 True md_ensemble 5 172 178 - O_GB1_20 C_GB1_21 1 0.000000e+00 8.239320e-07 ; 2.772166e-01 -8.239320e-07 9.999999e-01 9.963590e-01 0.004395 0.001132 True md_ensemble 4 172 179 + O_GB1_20 C_GB1_21 1 0.000000e+00 8.239282e-07 ; 2.772165e-01 -8.239282e-07 9.999999e-01 9.963590e-01 0.004395 0.001132 True md_ensemble 4 172 179 O_GB1_20 O_GB1_21 1 0.000000e+00 1.252373e-06 ; 2.870601e-01 -1.252373e-06 9.897330e-01 8.246486e-01 0.004395 0.001132 True md_ensemble 5 172 180 O_GB1_20 N_GB1_22 1 0.000000e+00 1.468375e-06 ; 2.908918e-01 -1.468375e-06 9.175433e-01 8.964597e-01 0.004395 0.001132 True md_ensemble 5 172 181 - O_GB1_20 H_GB1_22 1 0.000000e+00 1.741438e-08 ; 2.010191e-01 -1.741438e-08 1.063749e-02 1.329730e-01 0.004395 0.001132 True md_ensemble 6 172 182 - O_GB1_20 CA_GB1_22 1 0.000000e+00 5.692508e-06 ; 3.256644e-01 -5.692508e-06 1.315994e-01 5.021339e-01 0.004395 0.001132 True md_ensemble 6 172 183 + O_GB1_20 H_GB1_22 1 0.000000e+00 1.741466e-08 ; 2.010194e-01 -1.741466e-08 1.063749e-02 1.329730e-01 0.004395 0.001132 True md_ensemble 6 172 182 + O_GB1_20 CA_GB1_22 1 0.000000e+00 5.692553e-06 ; 3.256646e-01 -5.692553e-06 1.315994e-01 5.021339e-01 0.004395 0.001132 True md_ensemble 6 172 183 O_GB1_20 CB_GB1_22 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.794007e-02 0.004395 0.007862 True md_ensemble 7 172 184 O_GB1_20 OD1_GB1_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 172 186 O_GB1_20 OD2_GB1_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 172 187 @@ -26274,113 +26274,113 @@ OE2_GB1_19 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- O_GB1_20 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 172 488 O_GB1_20 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 172 490 O_GB1_20 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 172 491 - N_GB1_21 CB_GB1_21 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 176 - N_GB1_21 CG1_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 177 - N_GB1_21 CG2_GB1_21 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 178 - N_GB1_21 CA_GB1_22 1 0.000000e+00 7.574666e-06 ; 3.335098e-01 -7.574666e-06 9.999963e-01 9.999529e-01 0.004395 0.001132 True md_ensemble 4 173 183 - N_GB1_21 CB_GB1_22 1 0.000000e+00 3.011912e-06 ; 3.088388e-01 -3.011912e-06 4.367422e-01 2.560690e-01 0.004395 0.001132 True md_ensemble 5 173 184 - N_GB1_21 CG_GB1_22 1 0.000000e+00 1.536073e-06 ; 2.919864e-01 -1.536073e-06 7.999590e-03 2.651529e-02 0.004395 0.001132 True md_ensemble 6 173 185 + N_GB1_21 CB_GB1_21 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 176 + N_GB1_21 CG1_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 177 + N_GB1_21 CG2_GB1_21 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 178 + N_GB1_21 CA_GB1_22 1 0.000000e+00 7.574654e-06 ; 3.335098e-01 -7.574654e-06 9.999963e-01 9.999529e-01 0.004395 0.001132 True md_ensemble 4 173 183 + N_GB1_21 CB_GB1_22 1 0.000000e+00 3.011873e-06 ; 3.088385e-01 -3.011873e-06 4.367422e-01 2.560690e-01 0.004395 0.001132 True md_ensemble 5 173 184 + N_GB1_21 CG_GB1_22 1 0.000000e+00 1.536052e-06 ; 2.919861e-01 -1.536052e-06 7.999590e-03 2.651529e-02 0.004395 0.001132 True md_ensemble 6 173 185 N_GB1_21 OD1_GB1_22 1 1.616412e-03 5.133393e-06 ; 3.833911e-01 1.272447e-01 6.073385e-02 5.277669e-02 0.004395 0.011584 True md_ensemble 7 173 186 N_GB1_21 OD2_GB1_22 1 1.616412e-03 5.133393e-06 ; 3.833911e-01 1.272447e-01 6.073385e-02 5.277669e-02 0.004395 0.011584 True md_ensemble 7 173 187 N_GB1_21 C_GB1_22 1 1.948030e-03 8.896286e-06 ; 4.073198e-01 1.066406e-01 5.230485e-01 6.619784e-02 0.004395 0.001132 True md_ensemble 5 173 188 N_GB1_21 O_GB1_22 1 1.486025e-03 4.819208e-06 ; 3.847319e-01 1.145557e-01 8.474997e-01 9.200518e-02 0.004395 0.001132 True md_ensemble 6 173 189 N_GB1_21 N_GB1_23 1 0.000000e+00 8.752940e-07 ; 2.786171e-01 -8.752940e-07 0.000000e+00 6.590197e-02 0.004395 0.001132 True md_ensemble 6 173 190 - N_GB1_21 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 193 + N_GB1_21 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 193 N_GB1_21 N_GB1_24 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.487833e-03 0.004395 0.001132 True md_ensemble 7 173 196 - N_GB1_21 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 199 + N_GB1_21 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 199 N_GB1_21 N_GB1_25 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 173 202 N_GB1_21 CB_GB1_25 1 7.192111e-03 5.202909e-05 ; 4.397761e-01 2.485459e-01 2.297223e-01 1.857592e-03 0.004395 0.001132 True md_ensemble 7 173 205 N_GB1_21 OG1_GB1_25 1 4.824028e-04 3.071682e-07 ; 2.933106e-01 1.894015e-01 4.447193e-02 1.775727e-03 0.004395 0.011584 True md_ensemble 7 173 206 N_GB1_21 CG2_GB1_25 1 1.641975e-03 6.950710e-06 ; 4.022016e-01 9.697148e-02 2.186853e-02 3.338229e-03 0.004395 0.001132 True md_ensemble 7 173 207 N_GB1_21 N_GB1_26 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 173 210 - N_GB1_21 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 213 + N_GB1_21 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 213 N_GB1_21 N_GB1_27 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 173 216 - N_GB1_21 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 219 - N_GB1_21 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 220 + N_GB1_21 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 219 + N_GB1_21 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 220 N_GB1_21 N_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 4.957235e-05 0.004395 0.001132 True md_ensemble 7 173 226 - N_GB1_21 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 229 - N_GB1_21 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 230 - N_GB1_21 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 231 - N_GB1_21 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 232 + N_GB1_21 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 229 + N_GB1_21 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 230 + N_GB1_21 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 231 + N_GB1_21 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 232 N_GB1_21 NZ_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 7.001428e-04 0.004395 0.001132 True md_ensemble 7 173 233 N_GB1_21 N_GB1_29 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 173 236 - N_GB1_21 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 239 - N_GB1_21 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 240 - N_GB1_21 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 241 + N_GB1_21 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 239 + N_GB1_21 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 240 + N_GB1_21 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 241 N_GB1_21 N_GB1_30 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 173 244 - N_GB1_21 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 247 + N_GB1_21 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 247 N_GB1_21 N_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 173 256 - N_GB1_21 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 259 - N_GB1_21 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 260 - N_GB1_21 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 261 - N_GB1_21 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 262 + N_GB1_21 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 259 + N_GB1_21 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 260 + N_GB1_21 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 261 + N_GB1_21 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 262 N_GB1_21 NZ_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 3.260805e-05 0.004395 0.001132 True md_ensemble 7 173 263 N_GB1_21 N_GB1_32 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 173 266 - N_GB1_21 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 269 - N_GB1_21 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 270 + N_GB1_21 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 269 + N_GB1_21 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 270 N_GB1_21 N_GB1_33 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 173 276 - N_GB1_21 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 279 + N_GB1_21 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 279 N_GB1_21 N_GB1_34 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 173 289 - N_GB1_21 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 292 + N_GB1_21 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 292 N_GB1_21 N_GB1_35 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 173 295 - N_GB1_21 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 298 + N_GB1_21 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 298 N_GB1_21 N_GB1_36 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 173 304 - N_GB1_21 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 307 + N_GB1_21 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 307 N_GB1_21 N_GB1_37 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 173 313 - N_GB1_21 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 316 + N_GB1_21 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 316 N_GB1_21 N_GB1_38 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 173 322 - N_GB1_21 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 324 + N_GB1_21 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 324 N_GB1_21 N_GB1_39 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 173 327 - N_GB1_21 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 330 - N_GB1_21 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 331 - N_GB1_21 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 332 + N_GB1_21 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 330 + N_GB1_21 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 331 + N_GB1_21 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 332 N_GB1_21 N_GB1_40 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 173 335 - N_GB1_21 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 338 + N_GB1_21 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 338 N_GB1_21 N_GB1_41 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 173 344 - N_GB1_21 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 346 + N_GB1_21 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 346 N_GB1_21 N_GB1_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 173 349 - N_GB1_21 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 352 - N_GB1_21 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 353 + N_GB1_21 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 352 + N_GB1_21 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 353 N_GB1_21 N_GB1_43 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 173 359 - N_GB1_21 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 362 + N_GB1_21 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 362 N_GB1_21 N_GB1_44 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 173 374 - N_GB1_21 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 377 - N_GB1_21 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 379 + N_GB1_21 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 377 + N_GB1_21 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 379 N_GB1_21 N_GB1_45 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 173 382 - N_GB1_21 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 385 + N_GB1_21 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 385 N_GB1_21 N_GB1_46 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 173 395 - N_GB1_21 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 398 + N_GB1_21 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 398 N_GB1_21 N_GB1_47 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 173 404 - N_GB1_21 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 407 + N_GB1_21 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 407 N_GB1_21 N_GB1_48 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 173 413 - N_GB1_21 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 416 + N_GB1_21 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 416 N_GB1_21 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 173 419 - N_GB1_21 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 422 - N_GB1_21 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 424 + N_GB1_21 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 422 + N_GB1_21 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 424 N_GB1_21 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 173 427 - N_GB1_21 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 430 - N_GB1_21 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 431 - N_GB1_21 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 432 - N_GB1_21 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 433 + N_GB1_21 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 430 + N_GB1_21 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 431 + N_GB1_21 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 432 + N_GB1_21 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 433 N_GB1_21 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 2.188799e-05 0.004395 0.001132 True md_ensemble 7 173 434 N_GB1_21 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 173 437 - N_GB1_21 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 440 - N_GB1_21 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 442 + N_GB1_21 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 440 + N_GB1_21 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 442 N_GB1_21 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 173 445 - N_GB1_21 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 448 + N_GB1_21 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 448 N_GB1_21 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 173 457 - N_GB1_21 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 460 - N_GB1_21 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 462 + N_GB1_21 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 460 + N_GB1_21 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 462 N_GB1_21 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 173 465 - N_GB1_21 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 468 - N_GB1_21 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 469 - N_GB1_21 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 470 + N_GB1_21 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 468 + N_GB1_21 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 469 + N_GB1_21 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 470 N_GB1_21 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 173 473 - N_GB1_21 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 476 - N_GB1_21 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 478 + N_GB1_21 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 476 + N_GB1_21 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 478 N_GB1_21 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 173 481 - N_GB1_21 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 484 - N_GB1_21 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 485 + N_GB1_21 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 484 + N_GB1_21 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 173 485 H_GB1_21 H_GB1_21 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 174 174 H_GB1_21 O_GB1_21 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 174 180 H_GB1_21 H_GB1_22 1 0.000000e+00 3.992525e-09 ; 1.778002e-01 -3.992525e-09 9.936397e-01 3.263501e-01 0.004395 0.001132 True md_ensemble 5 174 182 @@ -26481,571 +26481,571 @@ OE2_GB1_19 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- H_GB1_21 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 174 488 H_GB1_21 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 174 490 H_GB1_21 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 174 491 - CA_GB1_21 CB_GB1_22 1 0.000000e+00 3.181346e-05 ; 3.758771e-01 -3.181346e-05 9.999922e-01 9.999860e-01 0.004395 0.001132 True md_ensemble 4 175 184 - CA_GB1_21 CG_GB1_22 1 0.000000e+00 1.274740e-05 ; 3.482946e-01 -1.274740e-05 6.947449e-01 6.714173e-01 0.004395 0.001132 True md_ensemble 5 175 185 - CA_GB1_21 OD1_GB1_22 1 0.000000e+00 3.112672e-06 ; 3.096869e-01 -3.112672e-06 2.905037e-01 2.162853e-01 0.004395 0.001132 True md_ensemble 6 175 186 - CA_GB1_21 OD2_GB1_22 1 0.000000e+00 3.112672e-06 ; 3.096869e-01 -3.112672e-06 2.905037e-01 2.162853e-01 0.004395 0.001132 True md_ensemble 6 175 187 - CA_GB1_21 C_GB1_22 1 0.000000e+00 1.305183e-05 ; 3.489803e-01 -1.305183e-05 1.000000e+00 9.999971e-01 0.004395 0.001132 True md_ensemble 4 175 188 - CA_GB1_21 O_GB1_22 1 0.000000e+00 2.317935e-06 ; 3.021715e-01 -2.317935e-06 9.723124e-01 5.303811e-01 0.004395 0.001132 True md_ensemble 5 175 189 - CA_GB1_21 N_GB1_23 1 0.000000e+00 1.090280e-05 ; 3.437873e-01 -1.090280e-05 1.358688e-01 5.751839e-01 0.004395 0.001132 True md_ensemble 5 175 190 - CA_GB1_21 CA_GB1_23 1 0.000000e+00 9.450222e-05 ; 4.115745e-01 -9.450222e-05 1.314464e-01 5.730017e-01 0.004395 0.001132 True md_ensemble 6 175 192 - CA_GB1_21 CA_GB1_25 1 0.000000e+00 6.613904e-05 ; 3.995151e-01 -6.613904e-05 1.341220e-02 2.230993e-02 0.004395 0.006476 True md_ensemble 7 175 204 + CA_GB1_21 CB_GB1_22 1 0.000000e+00 3.181332e-05 ; 3.758770e-01 -3.181332e-05 9.999922e-01 9.999860e-01 0.004395 0.001132 True md_ensemble 4 175 184 + CA_GB1_21 CG_GB1_22 1 0.000000e+00 1.274733e-05 ; 3.482945e-01 -1.274733e-05 6.947449e-01 6.714173e-01 0.004395 0.001132 True md_ensemble 5 175 185 + CA_GB1_21 OD1_GB1_22 1 0.000000e+00 3.112697e-06 ; 3.096871e-01 -3.112697e-06 2.905037e-01 2.162853e-01 0.004395 0.001132 True md_ensemble 6 175 186 + CA_GB1_21 OD2_GB1_22 1 0.000000e+00 3.112697e-06 ; 3.096871e-01 -3.112697e-06 2.905037e-01 2.162853e-01 0.004395 0.001132 True md_ensemble 6 175 187 + CA_GB1_21 C_GB1_22 1 0.000000e+00 1.305176e-05 ; 3.489802e-01 -1.305176e-05 1.000000e+00 9.999971e-01 0.004395 0.001132 True md_ensemble 4 175 188 + CA_GB1_21 O_GB1_22 1 0.000000e+00 2.317954e-06 ; 3.021717e-01 -2.317954e-06 9.723124e-01 5.303811e-01 0.004395 0.001132 True md_ensemble 5 175 189 + CA_GB1_21 N_GB1_23 1 0.000000e+00 1.090279e-05 ; 3.437873e-01 -1.090279e-05 1.358688e-01 5.751839e-01 0.004395 0.001132 True md_ensemble 5 175 190 + CA_GB1_21 CA_GB1_23 1 0.000000e+00 9.450292e-05 ; 4.115748e-01 -9.450292e-05 1.314464e-01 5.730017e-01 0.004395 0.001132 True md_ensemble 6 175 192 + CA_GB1_21 CA_GB1_25 1 0.000000e+00 6.613952e-05 ; 3.995153e-01 -6.613952e-05 1.341220e-02 2.230993e-02 0.004395 0.006476 True md_ensemble 7 175 204 CA_GB1_21 CB_GB1_25 1 1.792556e-02 3.955652e-04 ; 5.296117e-01 2.030802e-01 4.825209e-01 5.390197e-02 0.004395 0.006476 True md_ensemble 7 175 205 CA_GB1_21 OG1_GB1_25 1 1.556203e-03 4.161471e-06 ; 3.725605e-01 1.454874e-01 5.857183e-02 2.616955e-02 0.004395 0.008483 True md_ensemble 7 175 206 CA_GB1_21 CG2_GB1_25 1 6.751974e-03 9.309934e-05 ; 4.896878e-01 1.224207e-01 4.016906e-02 3.559639e-02 0.004395 0.010759 True md_ensemble 7 175 207 - CB_GB1_21 C_GB1_21 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 179 + CB_GB1_21 C_GB1_21 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 179 CB_GB1_21 O_GB1_21 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 180 - CB_GB1_21 N_GB1_22 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 181 - CB_GB1_21 CA_GB1_22 1 0.000000e+00 6.555571e-05 ; 3.992202e-01 -6.555571e-05 9.999948e-01 9.999944e-01 0.004395 0.001132 True md_ensemble 4 176 183 - CB_GB1_21 CB_GB1_22 1 0.000000e+00 2.901868e-05 ; 3.730080e-01 -2.901868e-05 1.000000e+00 9.121455e-01 0.004395 0.001132 True md_ensemble 5 176 184 - CB_GB1_21 CG_GB1_22 1 0.000000e+00 6.459157e-06 ; 3.291114e-01 -6.459157e-06 6.889248e-01 1.838086e-01 0.004395 0.001132 True md_ensemble 6 176 185 + CB_GB1_21 N_GB1_22 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 181 + CB_GB1_21 CA_GB1_22 1 0.000000e+00 6.555620e-05 ; 3.992205e-01 -6.555620e-05 9.999948e-01 9.999944e-01 0.004395 0.001132 True md_ensemble 4 176 183 + CB_GB1_21 CB_GB1_22 1 0.000000e+00 2.901856e-05 ; 3.730079e-01 -2.901856e-05 1.000000e+00 9.121455e-01 0.004395 0.001132 True md_ensemble 5 176 184 + CB_GB1_21 CG_GB1_22 1 0.000000e+00 6.459123e-06 ; 3.291113e-01 -6.459123e-06 6.889248e-01 1.838086e-01 0.004395 0.001132 True md_ensemble 6 176 185 CB_GB1_21 OD1_GB1_22 1 9.331437e-04 2.209366e-06 ; 3.650787e-01 9.853022e-02 4.581192e-01 6.785058e-02 0.004395 0.001132 True md_ensemble 7 176 186 CB_GB1_21 OD2_GB1_22 1 9.331437e-04 2.209366e-06 ; 3.650787e-01 9.853022e-02 4.581192e-01 6.785058e-02 0.004395 0.001132 True md_ensemble 7 176 187 - CB_GB1_21 C_GB1_22 1 0.000000e+00 1.220805e-05 ; 3.470421e-01 -1.220805e-05 7.801345e-01 7.154836e-01 0.004395 0.001132 True md_ensemble 5 176 188 + CB_GB1_21 C_GB1_22 1 0.000000e+00 1.220799e-05 ; 3.470420e-01 -1.220799e-05 7.801345e-01 7.154836e-01 0.004395 0.001132 True md_ensemble 5 176 188 CB_GB1_21 O_GB1_22 1 0.000000e+00 4.153495e-06 ; 3.172216e-01 -4.153495e-06 4.068565e-03 2.882755e-01 0.004395 0.001132 True md_ensemble 6 176 189 - CB_GB1_21 N_GB1_23 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 190 - CB_GB1_21 C_GB1_23 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 194 + CB_GB1_21 N_GB1_23 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 190 + CB_GB1_21 C_GB1_23 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 194 CB_GB1_21 O_GB1_23 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 5.343178e-02 0.004395 0.007862 True md_ensemble 7 176 195 - CB_GB1_21 N_GB1_24 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 196 - CB_GB1_21 C_GB1_24 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 200 + CB_GB1_21 N_GB1_24 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 196 + CB_GB1_21 C_GB1_24 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 200 CB_GB1_21 O_GB1_24 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.214971e-02 0.004395 0.007862 True md_ensemble 7 176 201 - CB_GB1_21 N_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 202 - CB_GB1_21 CA_GB1_25 1 0.000000e+00 6.642206e-05 ; 3.996573e-01 -6.642206e-05 9.060747e-03 2.227583e-02 0.004395 0.006476 True md_ensemble 7 176 204 + CB_GB1_21 N_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 202 + CB_GB1_21 CA_GB1_25 1 0.000000e+00 6.642255e-05 ; 3.996575e-01 -6.642255e-05 9.060747e-03 2.227583e-02 0.004395 0.006476 True md_ensemble 7 176 204 CB_GB1_21 CB_GB1_25 1 1.039716e-02 1.641931e-04 ; 5.008873e-01 1.645942e-01 1.997852e-01 4.705718e-02 0.004395 0.006476 True md_ensemble 7 176 205 - CB_GB1_21 OG1_GB1_25 1 0.000000e+00 5.532598e-06 ; 3.248921e-01 -5.532598e-06 5.883137e-02 2.341489e-02 0.004395 0.001132 True md_ensemble 7 176 206 + CB_GB1_21 OG1_GB1_25 1 0.000000e+00 5.532580e-06 ; 3.248920e-01 -5.532580e-06 5.883137e-02 2.341489e-02 0.004395 0.001132 True md_ensemble 7 176 206 CB_GB1_21 CG2_GB1_25 1 4.133709e-03 3.306837e-05 ; 4.472107e-01 1.291835e-01 4.681116e-02 3.638605e-02 0.004395 0.010759 True md_ensemble 7 176 207 - CB_GB1_21 C_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 208 + CB_GB1_21 C_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 208 CB_GB1_21 O_GB1_25 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 4.650156e-03 0.004395 0.007862 True md_ensemble 7 176 209 - CB_GB1_21 N_GB1_26 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 210 - CB_GB1_21 C_GB1_26 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 214 + CB_GB1_21 N_GB1_26 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 210 + CB_GB1_21 C_GB1_26 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 214 CB_GB1_21 O_GB1_26 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.032848e-03 0.004395 0.007862 True md_ensemble 7 176 215 - CB_GB1_21 N_GB1_27 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 216 - CB_GB1_21 CD_GB1_27 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 221 - CB_GB1_21 OE1_GB1_27 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 222 - CB_GB1_21 OE2_GB1_27 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 223 - CB_GB1_21 C_GB1_27 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 224 + CB_GB1_21 N_GB1_27 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 216 + CB_GB1_21 CD_GB1_27 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 221 + CB_GB1_21 OE1_GB1_27 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 222 + CB_GB1_21 OE2_GB1_27 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 223 + CB_GB1_21 C_GB1_27 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 224 CB_GB1_21 O_GB1_27 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.009112e-03 0.004395 0.007862 True md_ensemble 7 176 225 - CB_GB1_21 N_GB1_28 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 226 - CB_GB1_21 NZ_GB1_28 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 233 - CB_GB1_21 C_GB1_28 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 234 + CB_GB1_21 N_GB1_28 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 226 + CB_GB1_21 NZ_GB1_28 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 233 + CB_GB1_21 C_GB1_28 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 234 CB_GB1_21 O_GB1_28 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.797577e-03 0.004395 0.007862 True md_ensemble 7 176 235 - CB_GB1_21 N_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 236 - CB_GB1_21 C_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 242 + CB_GB1_21 N_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 236 + CB_GB1_21 C_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 242 CB_GB1_21 O_GB1_29 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 9.428225e-04 0.004395 0.007862 True md_ensemble 7 176 243 - CB_GB1_21 N_GB1_30 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 244 - CB_GB1_21 C_GB1_30 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 254 + CB_GB1_21 N_GB1_30 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 244 + CB_GB1_21 C_GB1_30 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 254 CB_GB1_21 O_GB1_30 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 5.848121e-04 0.004395 0.007862 True md_ensemble 7 176 255 - CB_GB1_21 N_GB1_31 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 256 - CB_GB1_21 NZ_GB1_31 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 263 - CB_GB1_21 C_GB1_31 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 264 + CB_GB1_21 N_GB1_31 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 256 + CB_GB1_21 NZ_GB1_31 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 263 + CB_GB1_21 C_GB1_31 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 264 CB_GB1_21 O_GB1_31 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.168816e-04 0.004395 0.007862 True md_ensemble 7 176 265 - CB_GB1_21 N_GB1_32 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 266 - CB_GB1_21 CD_GB1_32 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 271 + CB_GB1_21 N_GB1_32 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 266 + CB_GB1_21 CD_GB1_32 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 271 CB_GB1_21 OE1_GB1_32 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.936565e-03 0.004395 0.007862 True md_ensemble 7 176 272 - CB_GB1_21 NE2_GB1_32 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 273 - CB_GB1_21 C_GB1_32 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 274 + CB_GB1_21 NE2_GB1_32 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 273 + CB_GB1_21 C_GB1_32 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 274 CB_GB1_21 O_GB1_32 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.497398e-04 0.004395 0.007862 True md_ensemble 7 176 275 - CB_GB1_21 N_GB1_33 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 276 - CB_GB1_21 OH_GB1_33 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 286 - CB_GB1_21 C_GB1_33 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 287 + CB_GB1_21 N_GB1_33 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 276 + CB_GB1_21 OH_GB1_33 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 286 + CB_GB1_21 C_GB1_33 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 287 CB_GB1_21 O_GB1_33 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.000022e-04 0.004395 0.007862 True md_ensemble 7 176 288 - CB_GB1_21 N_GB1_34 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 289 - CB_GB1_21 C_GB1_34 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 293 + CB_GB1_21 N_GB1_34 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 289 + CB_GB1_21 C_GB1_34 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 293 CB_GB1_21 O_GB1_34 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 4.887457e-04 0.004395 0.007862 True md_ensemble 7 176 294 - CB_GB1_21 N_GB1_35 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 295 - CB_GB1_21 CG_GB1_35 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 299 + CB_GB1_21 N_GB1_35 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 295 + CB_GB1_21 CG_GB1_35 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 299 CB_GB1_21 OD1_GB1_35 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.191671e-03 0.004395 0.007862 True md_ensemble 7 176 300 - CB_GB1_21 ND2_GB1_35 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 301 - CB_GB1_21 C_GB1_35 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 302 + CB_GB1_21 ND2_GB1_35 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 301 + CB_GB1_21 C_GB1_35 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 302 CB_GB1_21 O_GB1_35 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.448216e-04 0.004395 0.007862 True md_ensemble 7 176 303 - CB_GB1_21 N_GB1_36 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 304 - CB_GB1_21 CG_GB1_36 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 308 - CB_GB1_21 OD1_GB1_36 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 309 - CB_GB1_21 OD2_GB1_36 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 310 - CB_GB1_21 C_GB1_36 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 311 + CB_GB1_21 N_GB1_36 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 304 + CB_GB1_21 CG_GB1_36 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 308 + CB_GB1_21 OD1_GB1_36 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 309 + CB_GB1_21 OD2_GB1_36 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 310 + CB_GB1_21 C_GB1_36 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 311 CB_GB1_21 O_GB1_36 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 176 312 - CB_GB1_21 N_GB1_37 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 313 - CB_GB1_21 CG_GB1_37 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 317 + CB_GB1_21 N_GB1_37 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 313 + CB_GB1_21 CG_GB1_37 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 317 CB_GB1_21 OD1_GB1_37 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 6.126646e-04 0.004395 0.007862 True md_ensemble 7 176 318 - CB_GB1_21 ND2_GB1_37 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 319 - CB_GB1_21 C_GB1_37 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 320 + CB_GB1_21 ND2_GB1_37 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 319 + CB_GB1_21 C_GB1_37 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 320 CB_GB1_21 O_GB1_37 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.290279e-04 0.004395 0.007862 True md_ensemble 7 176 321 - CB_GB1_21 N_GB1_38 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 322 - CB_GB1_21 C_GB1_38 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 325 + CB_GB1_21 N_GB1_38 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 322 + CB_GB1_21 C_GB1_38 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 325 CB_GB1_21 O_GB1_38 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 7.026406e-04 0.004395 0.007862 True md_ensemble 7 176 326 - CB_GB1_21 N_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 327 - CB_GB1_21 C_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 333 + CB_GB1_21 N_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 327 + CB_GB1_21 C_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 333 CB_GB1_21 O_GB1_39 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.998850e-04 0.004395 0.007862 True md_ensemble 7 176 334 - CB_GB1_21 N_GB1_40 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 335 - CB_GB1_21 CG_GB1_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 339 - CB_GB1_21 OD1_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 340 - CB_GB1_21 OD2_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 341 - CB_GB1_21 C_GB1_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 342 + CB_GB1_21 N_GB1_40 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 335 + CB_GB1_21 CG_GB1_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 339 + CB_GB1_21 OD1_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 340 + CB_GB1_21 OD2_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 341 + CB_GB1_21 C_GB1_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 342 CB_GB1_21 O_GB1_40 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.334683e-04 0.004395 0.007862 True md_ensemble 7 176 343 - CB_GB1_21 N_GB1_41 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 344 - CB_GB1_21 C_GB1_41 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 347 + CB_GB1_21 N_GB1_41 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 344 + CB_GB1_21 C_GB1_41 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 347 CB_GB1_21 O_GB1_41 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 7.845829e-04 0.004395 0.007862 True md_ensemble 7 176 348 - CB_GB1_21 N_GB1_42 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 349 - CB_GB1_21 CD_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 354 - CB_GB1_21 OE1_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 355 - CB_GB1_21 OE2_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 356 - CB_GB1_21 C_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 357 + CB_GB1_21 N_GB1_42 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 349 + CB_GB1_21 CD_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 354 + CB_GB1_21 OE1_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 355 + CB_GB1_21 OE2_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 356 + CB_GB1_21 C_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 357 CB_GB1_21 O_GB1_42 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.998981e-04 0.004395 0.007862 True md_ensemble 7 176 358 - CB_GB1_21 N_GB1_43 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 359 - CB_GB1_21 NE1_GB1_43 1 0.000000e+00 9.937288e-06 ; 8.853117e-06 -9.937288e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 366 - CB_GB1_21 C_GB1_43 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 372 + CB_GB1_21 N_GB1_43 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 359 + CB_GB1_21 NE1_GB1_43 1 0.000000e+00 9.937231e-06 ; 8.853066e-06 -9.937231e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 366 + CB_GB1_21 C_GB1_43 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 372 CB_GB1_21 O_GB1_43 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.304670e-04 0.004395 0.007862 True md_ensemble 7 176 373 - CB_GB1_21 N_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 374 - CB_GB1_21 OG1_GB1_44 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 378 - CB_GB1_21 C_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 380 + CB_GB1_21 N_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 374 + CB_GB1_21 OG1_GB1_44 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 378 + CB_GB1_21 C_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 380 CB_GB1_21 O_GB1_44 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.998581e-04 0.004395 0.007862 True md_ensemble 7 176 381 - CB_GB1_21 N_GB1_45 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 382 - CB_GB1_21 OH_GB1_45 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 392 - CB_GB1_21 C_GB1_45 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 393 + CB_GB1_21 N_GB1_45 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 382 + CB_GB1_21 OH_GB1_45 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 392 + CB_GB1_21 C_GB1_45 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 393 CB_GB1_21 O_GB1_45 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.009594e-04 0.004395 0.007862 True md_ensemble 7 176 394 - CB_GB1_21 N_GB1_46 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 395 - CB_GB1_21 CG_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 399 - CB_GB1_21 OD1_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 400 - CB_GB1_21 OD2_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 401 - CB_GB1_21 C_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 402 + CB_GB1_21 N_GB1_46 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 395 + CB_GB1_21 CG_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 399 + CB_GB1_21 OD1_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 400 + CB_GB1_21 OD2_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 401 + CB_GB1_21 C_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 402 CB_GB1_21 O_GB1_46 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.999452e-04 0.004395 0.007862 True md_ensemble 7 176 403 - CB_GB1_21 N_GB1_47 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 404 - CB_GB1_21 CG_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 408 - CB_GB1_21 OD1_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 409 - CB_GB1_21 OD2_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 410 - CB_GB1_21 C_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 411 + CB_GB1_21 N_GB1_47 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 404 + CB_GB1_21 CG_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 408 + CB_GB1_21 OD1_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 409 + CB_GB1_21 OD2_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 410 + CB_GB1_21 C_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 411 CB_GB1_21 O_GB1_47 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.912254e-04 0.004395 0.007862 True md_ensemble 7 176 412 - CB_GB1_21 N_GB1_48 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 413 - CB_GB1_21 C_GB1_48 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 417 + CB_GB1_21 N_GB1_48 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 413 + CB_GB1_21 C_GB1_48 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 417 CB_GB1_21 O_GB1_48 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.634865e-07 0.004395 0.007862 True md_ensemble 7 176 418 - CB_GB1_21 N_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 419 - CB_GB1_21 OG1_GB1_49 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 423 - CB_GB1_21 C_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 425 + CB_GB1_21 N_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 419 + CB_GB1_21 OG1_GB1_49 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 423 + CB_GB1_21 C_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 425 CB_GB1_21 O_GB1_49 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.565484e-06 0.004395 0.007862 True md_ensemble 7 176 426 - CB_GB1_21 N_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 427 - CB_GB1_21 NZ_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 434 - CB_GB1_21 C_GB1_50 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 435 + CB_GB1_21 N_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 427 + CB_GB1_21 NZ_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 434 + CB_GB1_21 C_GB1_50 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 435 CB_GB1_21 O_GB1_50 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 9.902883e-05 0.004395 0.007862 True md_ensemble 7 176 436 - CB_GB1_21 N_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 437 - CB_GB1_21 OG1_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 441 - CB_GB1_21 C_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 443 + CB_GB1_21 N_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 437 + CB_GB1_21 OG1_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 441 + CB_GB1_21 C_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 443 CB_GB1_21 O_GB1_51 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.135111e-04 0.004395 0.007862 True md_ensemble 7 176 444 - CB_GB1_21 N_GB1_52 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 445 - CB_GB1_21 C_GB1_52 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 455 + CB_GB1_21 N_GB1_52 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 445 + CB_GB1_21 C_GB1_52 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 455 CB_GB1_21 O_GB1_52 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.000234e-04 0.004395 0.007862 True md_ensemble 7 176 456 - CB_GB1_21 N_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 457 - CB_GB1_21 OG1_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 461 - CB_GB1_21 C_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 463 + CB_GB1_21 N_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 457 + CB_GB1_21 OG1_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 461 + CB_GB1_21 C_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 463 CB_GB1_21 O_GB1_53 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 176 464 - CB_GB1_21 N_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 465 - CB_GB1_21 C_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 471 + CB_GB1_21 N_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 465 + CB_GB1_21 C_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 471 CB_GB1_21 O_GB1_54 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.000021e-04 0.004395 0.007862 True md_ensemble 7 176 472 - CB_GB1_21 N_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 473 - CB_GB1_21 OG1_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 477 - CB_GB1_21 C_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 479 + CB_GB1_21 N_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 473 + CB_GB1_21 OG1_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 477 + CB_GB1_21 C_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 479 CB_GB1_21 O_GB1_55 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.094974e-04 0.004395 0.007862 True md_ensemble 7 176 480 - CB_GB1_21 N_GB1_56 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 481 - CB_GB1_21 CD_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 486 - CB_GB1_21 OE1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 487 - CB_GB1_21 OE2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 488 - CB_GB1_21 C_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 489 - CB_GB1_21 O1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 490 - CB_GB1_21 O2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 491 -CG1_GB1_21 C_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 179 -CG1_GB1_21 O_GB1_21 1 0.000000e+00 1.334945e-06 ; 2.885915e-01 -1.334945e-06 9.980574e-01 8.856586e-01 0.004395 0.001132 True md_ensemble 4 177 180 -CG1_GB1_21 N_GB1_22 1 0.000000e+00 2.665008e-06 ; 3.057055e-01 -2.665008e-06 9.979111e-01 9.695042e-01 0.004395 0.001132 True md_ensemble 4 177 181 -CG1_GB1_21 CA_GB1_22 1 0.000000e+00 1.878539e-05 ; 3.597328e-01 -1.878539e-05 9.408238e-01 7.321906e-01 0.004395 0.001132 True md_ensemble 5 177 183 + CB_GB1_21 N_GB1_56 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 481 + CB_GB1_21 CD_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 486 + CB_GB1_21 OE1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 487 + CB_GB1_21 OE2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 488 + CB_GB1_21 C_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 489 + CB_GB1_21 O1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 490 + CB_GB1_21 O2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 176 491 +CG1_GB1_21 C_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 179 +CG1_GB1_21 O_GB1_21 1 0.000000e+00 1.334945e-06 ; 2.885916e-01 -1.334945e-06 9.980574e-01 8.856586e-01 0.004395 0.001132 True md_ensemble 4 177 180 +CG1_GB1_21 N_GB1_22 1 0.000000e+00 2.664983e-06 ; 3.057052e-01 -2.664983e-06 9.979111e-01 9.695042e-01 0.004395 0.001132 True md_ensemble 4 177 181 +CG1_GB1_21 CA_GB1_22 1 0.000000e+00 1.878538e-05 ; 3.597328e-01 -1.878538e-05 9.408238e-01 7.321906e-01 0.004395 0.001132 True md_ensemble 5 177 183 CG1_GB1_21 CB_GB1_22 1 1.781555e-03 1.122876e-05 ; 4.297891e-01 7.066537e-02 7.887219e-01 2.004770e-01 0.004395 0.001132 True md_ensemble 6 177 184 CG1_GB1_21 CG_GB1_22 1 1.137239e-03 3.180718e-06 ; 3.753579e-01 1.016526e-01 4.899833e-01 6.830811e-02 0.004395 0.001132 True md_ensemble 7 177 185 CG1_GB1_21 OD1_GB1_22 1 6.102421e-04 8.441398e-07 ; 3.337993e-01 1.102884e-01 2.749219e-01 3.241933e-02 0.004395 0.001132 True md_ensemble 7 177 186 CG1_GB1_21 OD2_GB1_22 1 6.102421e-04 8.441398e-07 ; 3.337993e-01 1.102884e-01 2.749219e-01 3.241933e-02 0.004395 0.001132 True md_ensemble 7 177 187 -CG1_GB1_21 C_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 188 +CG1_GB1_21 C_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 188 CG1_GB1_21 O_GB1_22 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 189 -CG1_GB1_21 N_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 190 -CG1_GB1_21 C_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 194 +CG1_GB1_21 N_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 190 +CG1_GB1_21 C_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 194 CG1_GB1_21 O_GB1_23 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 195 -CG1_GB1_21 N_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 196 -CG1_GB1_21 C_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 200 +CG1_GB1_21 N_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 196 +CG1_GB1_21 C_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 200 CG1_GB1_21 O_GB1_24 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 201 -CG1_GB1_21 N_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 202 -CG1_GB1_21 CA_GB1_25 1 0.000000e+00 2.398075e-05 ; 3.671275e-01 -2.398075e-05 6.667987e-03 1.689792e-02 0.004395 0.010759 True md_ensemble 7 177 204 +CG1_GB1_21 N_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 202 +CG1_GB1_21 CA_GB1_25 1 0.000000e+00 2.398074e-05 ; 3.671275e-01 -2.398074e-05 6.667987e-03 1.689792e-02 0.004395 0.010759 True md_ensemble 7 177 204 CG1_GB1_21 CB_GB1_25 1 1.233233e-03 4.008017e-06 ; 3.848700e-01 9.486380e-02 2.067576e-02 3.125714e-02 0.004395 0.010759 True md_ensemble 7 177 205 -CG1_GB1_21 OG1_GB1_25 1 0.000000e+00 2.084487e-06 ; 2.995102e-01 -2.084487e-06 1.509110e-02 1.873160e-02 0.004395 0.001132 True md_ensemble 7 177 206 +CG1_GB1_21 OG1_GB1_25 1 0.000000e+00 2.084464e-06 ; 2.995099e-01 -2.084464e-06 1.509110e-02 1.873160e-02 0.004395 0.001132 True md_ensemble 7 177 206 CG1_GB1_21 CG2_GB1_25 1 1.550819e-03 5.032341e-06 ; 3.847702e-01 1.194792e-01 1.413459e-02 2.553492e-02 0.004395 0.020717 True md_ensemble 7 177 207 -CG1_GB1_21 C_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 208 +CG1_GB1_21 C_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 208 CG1_GB1_21 O_GB1_25 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 209 -CG1_GB1_21 N_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 210 -CG1_GB1_21 C_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 214 +CG1_GB1_21 N_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 210 +CG1_GB1_21 C_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 214 CG1_GB1_21 O_GB1_26 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 215 -CG1_GB1_21 N_GB1_27 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 216 -CG1_GB1_21 CD_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 221 +CG1_GB1_21 N_GB1_27 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 216 +CG1_GB1_21 CD_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 221 CG1_GB1_21 OE1_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 222 CG1_GB1_21 OE2_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 223 -CG1_GB1_21 C_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 224 +CG1_GB1_21 C_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 224 CG1_GB1_21 O_GB1_27 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 225 -CG1_GB1_21 N_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 226 -CG1_GB1_21 NZ_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 233 -CG1_GB1_21 C_GB1_28 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 234 +CG1_GB1_21 N_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 226 +CG1_GB1_21 NZ_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 233 +CG1_GB1_21 C_GB1_28 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 234 CG1_GB1_21 O_GB1_28 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 235 -CG1_GB1_21 N_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 236 -CG1_GB1_21 C_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 242 +CG1_GB1_21 N_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 236 +CG1_GB1_21 C_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 242 CG1_GB1_21 O_GB1_29 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 243 -CG1_GB1_21 N_GB1_30 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 244 -CG1_GB1_21 C_GB1_30 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 254 +CG1_GB1_21 N_GB1_30 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 244 +CG1_GB1_21 C_GB1_30 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 254 CG1_GB1_21 O_GB1_30 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 255 -CG1_GB1_21 N_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 256 -CG1_GB1_21 NZ_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 263 -CG1_GB1_21 C_GB1_31 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 264 +CG1_GB1_21 N_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 256 +CG1_GB1_21 NZ_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 263 +CG1_GB1_21 C_GB1_31 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 264 CG1_GB1_21 O_GB1_31 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 265 -CG1_GB1_21 N_GB1_32 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 266 -CG1_GB1_21 CD_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 271 +CG1_GB1_21 N_GB1_32 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 266 +CG1_GB1_21 CD_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 271 CG1_GB1_21 OE1_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 272 -CG1_GB1_21 NE2_GB1_32 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 273 -CG1_GB1_21 C_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 274 +CG1_GB1_21 NE2_GB1_32 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 273 +CG1_GB1_21 C_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 274 CG1_GB1_21 O_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 275 -CG1_GB1_21 N_GB1_33 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 276 -CG1_GB1_21 OH_GB1_33 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 286 -CG1_GB1_21 C_GB1_33 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 287 +CG1_GB1_21 N_GB1_33 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 276 +CG1_GB1_21 OH_GB1_33 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 286 +CG1_GB1_21 C_GB1_33 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 287 CG1_GB1_21 O_GB1_33 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 288 -CG1_GB1_21 N_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 289 -CG1_GB1_21 C_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 293 +CG1_GB1_21 N_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 289 +CG1_GB1_21 C_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 293 CG1_GB1_21 O_GB1_34 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 294 -CG1_GB1_21 N_GB1_35 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 295 -CG1_GB1_21 CG_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 299 +CG1_GB1_21 N_GB1_35 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 295 +CG1_GB1_21 CG_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 299 CG1_GB1_21 OD1_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 300 -CG1_GB1_21 ND2_GB1_35 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 301 -CG1_GB1_21 C_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 302 +CG1_GB1_21 ND2_GB1_35 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 301 +CG1_GB1_21 C_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 302 CG1_GB1_21 O_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 303 -CG1_GB1_21 N_GB1_36 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 304 -CG1_GB1_21 CG_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 308 +CG1_GB1_21 N_GB1_36 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 304 +CG1_GB1_21 CG_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 308 CG1_GB1_21 OD1_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 309 CG1_GB1_21 OD2_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 310 -CG1_GB1_21 C_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 311 +CG1_GB1_21 C_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 311 CG1_GB1_21 O_GB1_36 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 312 -CG1_GB1_21 N_GB1_37 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 313 -CG1_GB1_21 CG_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 317 +CG1_GB1_21 N_GB1_37 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 313 +CG1_GB1_21 CG_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 317 CG1_GB1_21 OD1_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 318 -CG1_GB1_21 ND2_GB1_37 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 319 -CG1_GB1_21 C_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 320 +CG1_GB1_21 ND2_GB1_37 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 319 +CG1_GB1_21 C_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 320 CG1_GB1_21 O_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 321 -CG1_GB1_21 N_GB1_38 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 322 -CG1_GB1_21 C_GB1_38 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 325 +CG1_GB1_21 N_GB1_38 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 322 +CG1_GB1_21 C_GB1_38 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 325 CG1_GB1_21 O_GB1_38 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 326 -CG1_GB1_21 N_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 327 -CG1_GB1_21 C_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 333 +CG1_GB1_21 N_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 327 +CG1_GB1_21 C_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 333 CG1_GB1_21 O_GB1_39 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 334 -CG1_GB1_21 N_GB1_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 335 -CG1_GB1_21 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 339 +CG1_GB1_21 N_GB1_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 335 +CG1_GB1_21 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 339 CG1_GB1_21 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 340 CG1_GB1_21 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 341 -CG1_GB1_21 C_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 342 +CG1_GB1_21 C_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 342 CG1_GB1_21 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 343 -CG1_GB1_21 N_GB1_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 344 -CG1_GB1_21 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 347 +CG1_GB1_21 N_GB1_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 344 +CG1_GB1_21 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 347 CG1_GB1_21 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 348 -CG1_GB1_21 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 349 -CG1_GB1_21 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 354 +CG1_GB1_21 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 349 +CG1_GB1_21 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 354 CG1_GB1_21 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 355 CG1_GB1_21 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 356 -CG1_GB1_21 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 357 +CG1_GB1_21 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 357 CG1_GB1_21 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 358 -CG1_GB1_21 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 359 -CG1_GB1_21 NE1_GB1_43 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 366 -CG1_GB1_21 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 372 +CG1_GB1_21 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 359 +CG1_GB1_21 NE1_GB1_43 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 366 +CG1_GB1_21 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 372 CG1_GB1_21 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 373 -CG1_GB1_21 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 374 -CG1_GB1_21 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 378 -CG1_GB1_21 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 380 +CG1_GB1_21 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 374 +CG1_GB1_21 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 378 +CG1_GB1_21 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 380 CG1_GB1_21 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 381 -CG1_GB1_21 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 382 -CG1_GB1_21 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 392 -CG1_GB1_21 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 393 +CG1_GB1_21 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 382 +CG1_GB1_21 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 392 +CG1_GB1_21 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 393 CG1_GB1_21 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 394 -CG1_GB1_21 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 395 -CG1_GB1_21 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 399 +CG1_GB1_21 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 395 +CG1_GB1_21 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 399 CG1_GB1_21 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 400 CG1_GB1_21 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 401 -CG1_GB1_21 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 402 +CG1_GB1_21 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 402 CG1_GB1_21 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 403 -CG1_GB1_21 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 404 -CG1_GB1_21 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 408 +CG1_GB1_21 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 404 +CG1_GB1_21 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 408 CG1_GB1_21 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 409 CG1_GB1_21 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 410 -CG1_GB1_21 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 411 +CG1_GB1_21 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 411 CG1_GB1_21 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 412 -CG1_GB1_21 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 413 -CG1_GB1_21 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 417 +CG1_GB1_21 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 413 +CG1_GB1_21 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 417 CG1_GB1_21 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 418 -CG1_GB1_21 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 419 -CG1_GB1_21 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 423 -CG1_GB1_21 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 425 +CG1_GB1_21 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 419 +CG1_GB1_21 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 423 +CG1_GB1_21 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 425 CG1_GB1_21 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 426 -CG1_GB1_21 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 427 -CG1_GB1_21 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 434 -CG1_GB1_21 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 435 +CG1_GB1_21 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 427 +CG1_GB1_21 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 434 +CG1_GB1_21 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 435 CG1_GB1_21 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 436 -CG1_GB1_21 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 437 -CG1_GB1_21 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 441 -CG1_GB1_21 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 443 +CG1_GB1_21 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 437 +CG1_GB1_21 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 441 +CG1_GB1_21 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 443 CG1_GB1_21 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 444 -CG1_GB1_21 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 445 -CG1_GB1_21 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 455 +CG1_GB1_21 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 445 +CG1_GB1_21 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 455 CG1_GB1_21 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 456 -CG1_GB1_21 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 457 -CG1_GB1_21 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 461 -CG1_GB1_21 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 463 +CG1_GB1_21 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 457 +CG1_GB1_21 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 461 +CG1_GB1_21 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 463 CG1_GB1_21 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 464 -CG1_GB1_21 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 465 -CG1_GB1_21 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 471 +CG1_GB1_21 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 465 +CG1_GB1_21 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 471 CG1_GB1_21 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 472 -CG1_GB1_21 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 473 -CG1_GB1_21 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 477 -CG1_GB1_21 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 479 +CG1_GB1_21 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 473 +CG1_GB1_21 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 477 +CG1_GB1_21 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 479 CG1_GB1_21 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 480 -CG1_GB1_21 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 481 -CG1_GB1_21 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 486 +CG1_GB1_21 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 481 +CG1_GB1_21 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 486 CG1_GB1_21 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 487 CG1_GB1_21 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 488 -CG1_GB1_21 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 489 +CG1_GB1_21 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 489 CG1_GB1_21 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 490 CG1_GB1_21 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 177 491 -CG2_GB1_21 C_GB1_21 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 179 +CG2_GB1_21 C_GB1_21 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 179 CG2_GB1_21 O_GB1_21 1 0.000000e+00 1.821490e-06 ; 2.961628e-01 -1.821490e-06 7.156465e-01 9.267503e-01 0.004395 0.001132 True md_ensemble 4 178 180 -CG2_GB1_21 N_GB1_22 1 0.000000e+00 2.639524e-06 ; 3.054608e-01 -2.639524e-06 9.998855e-01 9.621876e-01 0.004395 0.001132 True md_ensemble 4 178 181 -CG2_GB1_21 CA_GB1_22 1 0.000000e+00 1.968078e-05 ; 3.611314e-01 -1.968078e-05 8.332145e-01 6.623011e-01 0.004395 0.001132 True md_ensemble 5 178 183 -CG2_GB1_21 CB_GB1_22 1 0.000000e+00 1.259989e-05 ; 3.479570e-01 -1.259989e-05 9.539858e-02 1.891567e-01 0.004395 0.001132 True md_ensemble 6 178 184 -CG2_GB1_21 CG_GB1_22 1 0.000000e+00 4.840459e-06 ; 3.212937e-01 -4.840459e-06 4.984648e-02 7.404041e-02 0.004395 0.001132 True md_ensemble 7 178 185 -CG2_GB1_21 OD1_GB1_22 1 0.000000e+00 1.225994e-06 ; 2.865513e-01 -1.225994e-06 3.205800e-02 3.906382e-02 0.004395 0.001132 True md_ensemble 7 178 186 -CG2_GB1_21 OD2_GB1_22 1 0.000000e+00 1.225994e-06 ; 2.865513e-01 -1.225994e-06 3.205800e-02 3.906382e-02 0.004395 0.001132 True md_ensemble 7 178 187 -CG2_GB1_21 C_GB1_22 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 188 +CG2_GB1_21 N_GB1_22 1 0.000000e+00 2.639499e-06 ; 3.054605e-01 -2.639499e-06 9.998855e-01 9.621876e-01 0.004395 0.001132 True md_ensemble 4 178 181 +CG2_GB1_21 CA_GB1_22 1 0.000000e+00 1.968077e-05 ; 3.611313e-01 -1.968077e-05 8.332145e-01 6.623011e-01 0.004395 0.001132 True md_ensemble 5 178 183 +CG2_GB1_21 CB_GB1_22 1 0.000000e+00 1.259973e-05 ; 3.479566e-01 -1.259973e-05 9.539858e-02 1.891567e-01 0.004395 0.001132 True md_ensemble 6 178 184 +CG2_GB1_21 CG_GB1_22 1 0.000000e+00 4.840396e-06 ; 3.212934e-01 -4.840396e-06 4.984648e-02 7.404041e-02 0.004395 0.001132 True md_ensemble 7 178 185 +CG2_GB1_21 OD1_GB1_22 1 0.000000e+00 1.225995e-06 ; 2.865513e-01 -1.225995e-06 3.205800e-02 3.906382e-02 0.004395 0.001132 True md_ensemble 7 178 186 +CG2_GB1_21 OD2_GB1_22 1 0.000000e+00 1.225995e-06 ; 2.865513e-01 -1.225995e-06 3.205800e-02 3.906382e-02 0.004395 0.001132 True md_ensemble 7 178 187 +CG2_GB1_21 C_GB1_22 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 188 CG2_GB1_21 O_GB1_22 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 189 -CG2_GB1_21 N_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 190 -CG2_GB1_21 C_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 194 +CG2_GB1_21 N_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 190 +CG2_GB1_21 C_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 194 CG2_GB1_21 O_GB1_23 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 195 -CG2_GB1_21 N_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 196 -CG2_GB1_21 C_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 200 +CG2_GB1_21 N_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 196 +CG2_GB1_21 C_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 200 CG2_GB1_21 O_GB1_24 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 201 -CG2_GB1_21 N_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 202 +CG2_GB1_21 N_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 202 CG2_GB1_21 CA_GB1_25 1 6.879511e-03 8.984637e-05 ; 4.852779e-01 1.316906e-01 1.789478e-02 1.324974e-02 0.004395 0.010759 True md_ensemble 7 178 204 CG2_GB1_21 CB_GB1_25 1 1.857591e-03 5.733832e-06 ; 3.815773e-01 1.504510e-01 4.904207e-02 2.524207e-02 0.004395 0.010759 True md_ensemble 7 178 205 -CG2_GB1_21 OG1_GB1_25 1 0.000000e+00 2.022575e-06 ; 2.987586e-01 -2.022575e-06 3.999083e-02 1.382198e-02 0.004395 0.001132 True md_ensemble 7 178 206 +CG2_GB1_21 OG1_GB1_25 1 0.000000e+00 2.022553e-06 ; 2.987583e-01 -2.022553e-06 3.999083e-02 1.382198e-02 0.004395 0.001132 True md_ensemble 7 178 206 CG2_GB1_21 CG2_GB1_25 1 1.626438e-03 3.683352e-06 ; 3.623829e-01 1.795443e-01 3.706997e-02 2.090485e-02 0.004395 0.020717 True md_ensemble 7 178 207 -CG2_GB1_21 C_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 208 +CG2_GB1_21 C_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 208 CG2_GB1_21 O_GB1_25 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 209 -CG2_GB1_21 N_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 210 -CG2_GB1_21 C_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 214 +CG2_GB1_21 N_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 210 +CG2_GB1_21 C_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 214 CG2_GB1_21 O_GB1_26 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 215 -CG2_GB1_21 N_GB1_27 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 216 -CG2_GB1_21 CD_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 221 +CG2_GB1_21 N_GB1_27 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 216 +CG2_GB1_21 CD_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 221 CG2_GB1_21 OE1_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 222 CG2_GB1_21 OE2_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 223 -CG2_GB1_21 C_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 224 +CG2_GB1_21 C_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 224 CG2_GB1_21 O_GB1_27 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 225 -CG2_GB1_21 N_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 226 -CG2_GB1_21 NZ_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 233 -CG2_GB1_21 C_GB1_28 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 234 +CG2_GB1_21 N_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 226 +CG2_GB1_21 NZ_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 233 +CG2_GB1_21 C_GB1_28 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 234 CG2_GB1_21 O_GB1_28 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 235 -CG2_GB1_21 N_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 236 -CG2_GB1_21 C_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 242 +CG2_GB1_21 N_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 236 +CG2_GB1_21 C_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 242 CG2_GB1_21 O_GB1_29 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 243 -CG2_GB1_21 N_GB1_30 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 244 -CG2_GB1_21 C_GB1_30 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 254 +CG2_GB1_21 N_GB1_30 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 244 +CG2_GB1_21 C_GB1_30 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 254 CG2_GB1_21 O_GB1_30 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 255 -CG2_GB1_21 N_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 256 -CG2_GB1_21 NZ_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 263 -CG2_GB1_21 C_GB1_31 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 264 +CG2_GB1_21 N_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 256 +CG2_GB1_21 NZ_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 263 +CG2_GB1_21 C_GB1_31 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 264 CG2_GB1_21 O_GB1_31 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 265 -CG2_GB1_21 N_GB1_32 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 266 -CG2_GB1_21 CD_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 271 +CG2_GB1_21 N_GB1_32 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 266 +CG2_GB1_21 CD_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 271 CG2_GB1_21 OE1_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 272 -CG2_GB1_21 NE2_GB1_32 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 273 -CG2_GB1_21 C_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 274 +CG2_GB1_21 NE2_GB1_32 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 273 +CG2_GB1_21 C_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 274 CG2_GB1_21 O_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 275 -CG2_GB1_21 N_GB1_33 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 276 -CG2_GB1_21 OH_GB1_33 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 286 -CG2_GB1_21 C_GB1_33 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 287 +CG2_GB1_21 N_GB1_33 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 276 +CG2_GB1_21 OH_GB1_33 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 286 +CG2_GB1_21 C_GB1_33 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 287 CG2_GB1_21 O_GB1_33 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 288 -CG2_GB1_21 N_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 289 -CG2_GB1_21 C_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 293 +CG2_GB1_21 N_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 289 +CG2_GB1_21 C_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 293 CG2_GB1_21 O_GB1_34 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 294 -CG2_GB1_21 N_GB1_35 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 295 -CG2_GB1_21 CG_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 299 +CG2_GB1_21 N_GB1_35 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 295 +CG2_GB1_21 CG_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 299 CG2_GB1_21 OD1_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 300 -CG2_GB1_21 ND2_GB1_35 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 301 -CG2_GB1_21 C_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 302 +CG2_GB1_21 ND2_GB1_35 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 301 +CG2_GB1_21 C_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 302 CG2_GB1_21 O_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 303 -CG2_GB1_21 N_GB1_36 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 304 -CG2_GB1_21 CG_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 308 +CG2_GB1_21 N_GB1_36 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 304 +CG2_GB1_21 CG_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 308 CG2_GB1_21 OD1_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 309 CG2_GB1_21 OD2_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 310 -CG2_GB1_21 C_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 311 +CG2_GB1_21 C_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 311 CG2_GB1_21 O_GB1_36 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 312 -CG2_GB1_21 N_GB1_37 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 313 -CG2_GB1_21 CG_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 317 +CG2_GB1_21 N_GB1_37 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 313 +CG2_GB1_21 CG_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 317 CG2_GB1_21 OD1_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 318 -CG2_GB1_21 ND2_GB1_37 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 319 -CG2_GB1_21 C_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 320 +CG2_GB1_21 ND2_GB1_37 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 319 +CG2_GB1_21 C_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 320 CG2_GB1_21 O_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 321 -CG2_GB1_21 N_GB1_38 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 322 -CG2_GB1_21 C_GB1_38 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 325 +CG2_GB1_21 N_GB1_38 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 322 +CG2_GB1_21 C_GB1_38 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 325 CG2_GB1_21 O_GB1_38 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 326 -CG2_GB1_21 N_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 327 -CG2_GB1_21 C_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 333 +CG2_GB1_21 N_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 327 +CG2_GB1_21 C_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 333 CG2_GB1_21 O_GB1_39 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 334 -CG2_GB1_21 N_GB1_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 335 -CG2_GB1_21 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 339 +CG2_GB1_21 N_GB1_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 335 +CG2_GB1_21 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 339 CG2_GB1_21 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 340 CG2_GB1_21 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 341 -CG2_GB1_21 C_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 342 +CG2_GB1_21 C_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 342 CG2_GB1_21 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 343 -CG2_GB1_21 N_GB1_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 344 -CG2_GB1_21 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 347 +CG2_GB1_21 N_GB1_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 344 +CG2_GB1_21 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 347 CG2_GB1_21 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 348 -CG2_GB1_21 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 349 -CG2_GB1_21 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 354 +CG2_GB1_21 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 349 +CG2_GB1_21 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 354 CG2_GB1_21 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 355 CG2_GB1_21 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 356 -CG2_GB1_21 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 357 +CG2_GB1_21 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 357 CG2_GB1_21 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 358 -CG2_GB1_21 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 359 -CG2_GB1_21 NE1_GB1_43 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 366 -CG2_GB1_21 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 372 +CG2_GB1_21 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 359 +CG2_GB1_21 NE1_GB1_43 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 366 +CG2_GB1_21 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 372 CG2_GB1_21 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 373 -CG2_GB1_21 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 374 -CG2_GB1_21 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 378 -CG2_GB1_21 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 380 +CG2_GB1_21 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 374 +CG2_GB1_21 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 378 +CG2_GB1_21 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 380 CG2_GB1_21 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 381 -CG2_GB1_21 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 382 -CG2_GB1_21 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 392 -CG2_GB1_21 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 393 +CG2_GB1_21 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 382 +CG2_GB1_21 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 392 +CG2_GB1_21 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 393 CG2_GB1_21 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 394 -CG2_GB1_21 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 395 -CG2_GB1_21 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 399 +CG2_GB1_21 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 395 +CG2_GB1_21 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 399 CG2_GB1_21 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 400 CG2_GB1_21 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 401 -CG2_GB1_21 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 402 +CG2_GB1_21 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 402 CG2_GB1_21 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 403 -CG2_GB1_21 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 404 -CG2_GB1_21 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 408 +CG2_GB1_21 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 404 +CG2_GB1_21 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 408 CG2_GB1_21 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 409 CG2_GB1_21 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 410 -CG2_GB1_21 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 411 +CG2_GB1_21 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 411 CG2_GB1_21 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 412 -CG2_GB1_21 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 413 -CG2_GB1_21 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 417 +CG2_GB1_21 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 413 +CG2_GB1_21 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 417 CG2_GB1_21 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 418 -CG2_GB1_21 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 419 -CG2_GB1_21 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 423 -CG2_GB1_21 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 425 +CG2_GB1_21 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 419 +CG2_GB1_21 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 423 +CG2_GB1_21 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 425 CG2_GB1_21 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 426 -CG2_GB1_21 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 427 -CG2_GB1_21 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 434 -CG2_GB1_21 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 435 +CG2_GB1_21 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 427 +CG2_GB1_21 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 434 +CG2_GB1_21 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 435 CG2_GB1_21 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 436 -CG2_GB1_21 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 437 -CG2_GB1_21 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 441 -CG2_GB1_21 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 443 +CG2_GB1_21 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 437 +CG2_GB1_21 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 441 +CG2_GB1_21 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 443 CG2_GB1_21 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 444 -CG2_GB1_21 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 445 -CG2_GB1_21 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 455 +CG2_GB1_21 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 445 +CG2_GB1_21 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 455 CG2_GB1_21 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 456 -CG2_GB1_21 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 457 -CG2_GB1_21 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 461 -CG2_GB1_21 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 463 +CG2_GB1_21 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 457 +CG2_GB1_21 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 461 +CG2_GB1_21 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 463 CG2_GB1_21 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 464 -CG2_GB1_21 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 465 -CG2_GB1_21 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 471 +CG2_GB1_21 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 465 +CG2_GB1_21 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 471 CG2_GB1_21 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 472 -CG2_GB1_21 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 473 -CG2_GB1_21 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 477 -CG2_GB1_21 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 479 +CG2_GB1_21 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 473 +CG2_GB1_21 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 477 +CG2_GB1_21 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 479 CG2_GB1_21 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 480 -CG2_GB1_21 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 481 -CG2_GB1_21 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 486 +CG2_GB1_21 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 481 +CG2_GB1_21 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 486 CG2_GB1_21 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 487 CG2_GB1_21 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 488 -CG2_GB1_21 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 489 +CG2_GB1_21 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 489 CG2_GB1_21 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 490 CG2_GB1_21 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 178 491 - C_GB1_21 CB_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 184 - C_GB1_21 CG_GB1_22 1 0.000000e+00 2.546024e-06 ; 3.045441e-01 -2.546024e-06 9.231872e-01 9.029662e-01 0.004395 0.001132 True md_ensemble 4 179 185 - C_GB1_21 OD1_GB1_22 1 0.000000e+00 6.149959e-07 ; 2.705418e-01 -6.149959e-07 3.745561e-01 2.932813e-01 0.004395 0.001132 True md_ensemble 5 179 186 - C_GB1_21 OD2_GB1_22 1 0.000000e+00 6.149959e-07 ; 2.705418e-01 -6.149959e-07 3.745561e-01 2.932813e-01 0.004395 0.001132 True md_ensemble 5 179 187 - C_GB1_21 O_GB1_22 1 0.000000e+00 7.445006e-07 ; 2.748846e-01 -7.445006e-07 9.999887e-01 9.002935e-01 0.004395 0.001132 True md_ensemble 4 179 189 - C_GB1_21 N_GB1_23 1 0.000000e+00 1.537092e-06 ; 2.920026e-01 -1.537092e-06 9.541008e-01 9.732918e-01 0.004395 0.001132 True md_ensemble 4 179 190 - C_GB1_21 CA_GB1_23 1 0.000000e+00 1.389522e-05 ; 3.508061e-01 -1.389522e-05 7.921174e-01 8.567328e-01 0.004395 0.001132 True md_ensemble 5 179 192 - C_GB1_21 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 193 + C_GB1_21 CB_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 184 + C_GB1_21 CG_GB1_22 1 0.000000e+00 2.545979e-06 ; 3.045437e-01 -2.545979e-06 9.231872e-01 9.029662e-01 0.004395 0.001132 True md_ensemble 4 179 185 + C_GB1_21 OD1_GB1_22 1 0.000000e+00 6.149932e-07 ; 2.705417e-01 -6.149932e-07 3.745561e-01 2.932813e-01 0.004395 0.001132 True md_ensemble 5 179 186 + C_GB1_21 OD2_GB1_22 1 0.000000e+00 6.149932e-07 ; 2.705417e-01 -6.149932e-07 3.745561e-01 2.932813e-01 0.004395 0.001132 True md_ensemble 5 179 187 + C_GB1_21 O_GB1_22 1 0.000000e+00 7.444972e-07 ; 2.748845e-01 -7.444972e-07 9.999887e-01 9.002935e-01 0.004395 0.001132 True md_ensemble 4 179 189 + C_GB1_21 N_GB1_23 1 0.000000e+00 1.537070e-06 ; 2.920022e-01 -1.537070e-06 9.541008e-01 9.732918e-01 0.004395 0.001132 True md_ensemble 4 179 190 + C_GB1_21 CA_GB1_23 1 0.000000e+00 1.389514e-05 ; 3.508059e-01 -1.389514e-05 7.921174e-01 8.567328e-01 0.004395 0.001132 True md_ensemble 5 179 192 + C_GB1_21 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 193 C_GB1_21 C_GB1_23 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 0.000000e+00 1.148364e-01 0.004395 0.001132 True md_ensemble 6 179 194 - C_GB1_21 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 199 - C_GB1_21 CB_GB1_25 1 0.000000e+00 1.201316e-05 ; 3.465770e-01 -1.201316e-05 1.303091e-01 5.072594e-02 0.004395 0.001132 True md_ensemble 7 179 205 + C_GB1_21 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 199 + C_GB1_21 CB_GB1_25 1 0.000000e+00 1.201309e-05 ; 3.465769e-01 -1.201309e-05 1.303091e-01 5.072594e-02 0.004395 0.001132 True md_ensemble 7 179 205 C_GB1_21 OG1_GB1_25 1 1.189688e-03 2.838746e-06 ; 3.655518e-01 1.246464e-01 3.536939e-02 3.232250e-02 0.004395 0.011584 True md_ensemble 7 179 206 - C_GB1_21 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 207 - C_GB1_21 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 213 - C_GB1_21 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 219 - C_GB1_21 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 220 - C_GB1_21 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 229 - C_GB1_21 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 230 - C_GB1_21 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 231 - C_GB1_21 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 232 - C_GB1_21 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 239 - C_GB1_21 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 240 - C_GB1_21 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 241 - C_GB1_21 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 247 - C_GB1_21 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 259 - C_GB1_21 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 260 - C_GB1_21 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 261 - C_GB1_21 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 262 - C_GB1_21 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 269 - C_GB1_21 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 270 - C_GB1_21 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 279 - C_GB1_21 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 292 - C_GB1_21 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 298 - C_GB1_21 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 307 - C_GB1_21 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 316 - C_GB1_21 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 324 - C_GB1_21 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 330 - C_GB1_21 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 331 - C_GB1_21 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 332 - C_GB1_21 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 338 - C_GB1_21 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 346 - C_GB1_21 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 352 - C_GB1_21 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 353 - C_GB1_21 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 362 - C_GB1_21 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 377 - C_GB1_21 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 379 - C_GB1_21 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 385 - C_GB1_21 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 398 - C_GB1_21 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 407 - C_GB1_21 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 416 - C_GB1_21 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 422 - C_GB1_21 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 424 - C_GB1_21 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 430 - C_GB1_21 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 431 - C_GB1_21 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 432 - C_GB1_21 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 433 - C_GB1_21 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 440 - C_GB1_21 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 442 - C_GB1_21 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 448 - C_GB1_21 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 460 - C_GB1_21 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 462 - C_GB1_21 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 468 - C_GB1_21 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 469 - C_GB1_21 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 470 - C_GB1_21 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 476 - C_GB1_21 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 478 - C_GB1_21 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 484 - C_GB1_21 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 485 + C_GB1_21 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 207 + C_GB1_21 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 213 + C_GB1_21 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 219 + C_GB1_21 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 220 + C_GB1_21 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 229 + C_GB1_21 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 230 + C_GB1_21 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 231 + C_GB1_21 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 232 + C_GB1_21 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 239 + C_GB1_21 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 240 + C_GB1_21 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 241 + C_GB1_21 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 247 + C_GB1_21 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 259 + C_GB1_21 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 260 + C_GB1_21 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 261 + C_GB1_21 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 262 + C_GB1_21 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 269 + C_GB1_21 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 270 + C_GB1_21 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 279 + C_GB1_21 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 292 + C_GB1_21 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 298 + C_GB1_21 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 307 + C_GB1_21 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 316 + C_GB1_21 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 324 + C_GB1_21 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 330 + C_GB1_21 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 331 + C_GB1_21 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 332 + C_GB1_21 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 338 + C_GB1_21 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 346 + C_GB1_21 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 352 + C_GB1_21 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 353 + C_GB1_21 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 362 + C_GB1_21 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 377 + C_GB1_21 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 379 + C_GB1_21 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 385 + C_GB1_21 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 398 + C_GB1_21 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 407 + C_GB1_21 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 416 + C_GB1_21 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 422 + C_GB1_21 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 424 + C_GB1_21 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 430 + C_GB1_21 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 431 + C_GB1_21 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 432 + C_GB1_21 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 433 + C_GB1_21 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 440 + C_GB1_21 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 442 + C_GB1_21 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 448 + C_GB1_21 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 460 + C_GB1_21 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 462 + C_GB1_21 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 468 + C_GB1_21 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 469 + C_GB1_21 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 470 + C_GB1_21 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 476 + C_GB1_21 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 478 + C_GB1_21 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 484 + C_GB1_21 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 179 485 O_GB1_21 O_GB1_21 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 180 180 O_GB1_21 H_GB1_22 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 180 182 - O_GB1_21 CB_GB1_22 1 0.000000e+00 2.015580e-06 ; 2.986723e-01 -2.015580e-06 9.999967e-01 9.999587e-01 0.004395 0.001132 True md_ensemble 4 180 184 - O_GB1_21 CG_GB1_22 1 0.000000e+00 8.175725e-07 ; 2.770377e-01 -8.175725e-07 3.294889e-01 3.181576e-01 0.004395 0.001132 True md_ensemble 5 180 185 + O_GB1_21 CB_GB1_22 1 0.000000e+00 2.015572e-06 ; 2.986722e-01 -2.015572e-06 9.999967e-01 9.999587e-01 0.004395 0.001132 True md_ensemble 4 180 184 + O_GB1_21 CG_GB1_22 1 0.000000e+00 8.175687e-07 ; 2.770376e-01 -8.175687e-07 3.294889e-01 3.181576e-01 0.004395 0.001132 True md_ensemble 5 180 185 O_GB1_21 OD1_GB1_22 1 0.000000e+00 1.517752e-06 ; 2.916946e-01 -1.517752e-06 2.632614e-01 2.750963e-01 0.004395 0.001132 True md_ensemble 6 180 186 O_GB1_21 OD2_GB1_22 1 0.000000e+00 1.517752e-06 ; 2.916946e-01 -1.517752e-06 2.632614e-01 2.750963e-01 0.004395 0.001132 True md_ensemble 6 180 187 - O_GB1_21 C_GB1_22 1 0.000000e+00 8.231302e-07 ; 2.771941e-01 -8.231302e-07 9.998682e-01 9.952576e-01 0.004395 0.001132 True md_ensemble 4 180 188 + O_GB1_21 C_GB1_22 1 0.000000e+00 8.231264e-07 ; 2.771940e-01 -8.231264e-07 9.998682e-01 9.952576e-01 0.004395 0.001132 True md_ensemble 4 180 188 O_GB1_21 O_GB1_22 1 0.000000e+00 1.370772e-06 ; 2.892292e-01 -1.370772e-06 9.349513e-01 8.487995e-01 0.004395 0.001132 True md_ensemble 5 180 189 O_GB1_21 N_GB1_23 1 0.000000e+00 1.478556e-06 ; 2.910593e-01 -1.478556e-06 9.090763e-01 8.947800e-01 0.004395 0.001132 True md_ensemble 5 180 190 - O_GB1_21 H_GB1_23 1 0.000000e+00 1.752061e-08 ; 2.011210e-01 -1.752061e-08 2.723783e-02 1.564193e-01 0.004395 0.001132 True md_ensemble 6 180 191 - O_GB1_21 CA_GB1_23 1 0.000000e+00 4.471537e-06 ; 3.191781e-01 -4.471537e-06 4.968186e-01 5.733908e-01 0.004395 0.001132 True md_ensemble 6 180 192 + O_GB1_21 H_GB1_23 1 0.000000e+00 1.752088e-08 ; 2.011213e-01 -1.752088e-08 2.723783e-02 1.564193e-01 0.004395 0.001132 True md_ensemble 6 180 191 + O_GB1_21 CA_GB1_23 1 0.000000e+00 4.471572e-06 ; 3.191783e-01 -4.471572e-06 4.968186e-01 5.733908e-01 0.004395 0.001132 True md_ensemble 6 180 192 O_GB1_21 CB_GB1_23 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 180 193 O_GB1_21 O_GB1_23 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 180 195 O_GB1_21 H_GB1_24 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 180 197 @@ -27190,113 +27190,113 @@ CG2_GB1_21 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- O_GB1_21 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 180 488 O_GB1_21 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 180 490 O_GB1_21 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 180 491 - N_GB1_22 CB_GB1_22 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 184 + N_GB1_22 CB_GB1_22 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 184 N_GB1_22 OD1_GB1_22 1 0.000000e+00 1.490834e-06 ; 2.912600e-01 -1.490834e-06 9.397654e-01 9.336547e-01 0.004395 0.001132 True md_ensemble 4 181 186 N_GB1_22 OD2_GB1_22 1 0.000000e+00 1.490834e-06 ; 2.912600e-01 -1.490834e-06 9.397654e-01 9.336547e-01 0.004395 0.001132 True md_ensemble 4 181 187 - N_GB1_22 CA_GB1_23 1 0.000000e+00 7.574532e-06 ; 3.335093e-01 -7.574532e-06 1.000000e+00 9.999389e-01 0.004395 0.001132 True md_ensemble 4 181 192 - N_GB1_22 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 193 + N_GB1_22 CA_GB1_23 1 0.000000e+00 7.574520e-06 ; 3.335093e-01 -7.574520e-06 1.000000e+00 9.999389e-01 0.004395 0.001132 True md_ensemble 4 181 192 + N_GB1_22 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 193 N_GB1_22 C_GB1_23 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 0.000000e+00 5.297588e-02 0.004395 0.001132 True md_ensemble 5 181 194 N_GB1_22 O_GB1_23 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 0.000000e+00 6.199436e-02 0.004395 0.001132 True md_ensemble 6 181 195 N_GB1_22 N_GB1_24 1 0.000000e+00 8.752940e-07 ; 2.786171e-01 -8.752940e-07 0.000000e+00 9.109391e-02 0.004395 0.001132 True md_ensemble 6 181 196 - N_GB1_22 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 199 + N_GB1_22 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 199 N_GB1_22 N_GB1_25 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.096005e-03 4.448248e-04 0.004395 0.001132 True md_ensemble 7 181 202 N_GB1_22 CA_GB1_25 1 9.725231e-03 9.942518e-05 ; 4.658714e-01 2.378173e-01 1.136708e-01 4.191748e-03 0.004395 0.008482 True md_ensemble 7 181 204 N_GB1_22 CB_GB1_25 1 3.655896e-03 1.942578e-05 ; 4.177317e-01 1.720082e-01 9.154818e-01 3.263541e-02 0.004395 0.001132 True md_ensemble 7 181 205 N_GB1_22 OG1_GB1_25 1 5.047457e-04 3.051151e-07 ; 2.907804e-01 2.087476e-01 1.558053e-01 2.789339e-02 0.004395 0.011584 True md_ensemble 7 181 206 - N_GB1_22 CG2_GB1_25 1 0.000000e+00 2.733545e-06 ; 3.063530e-01 -2.733545e-06 2.738115e-02 2.396108e-02 0.004395 0.001132 True md_ensemble 7 181 207 + N_GB1_22 CG2_GB1_25 1 0.000000e+00 2.733519e-06 ; 3.063528e-01 -2.733519e-06 2.738115e-02 2.396108e-02 0.004395 0.001132 True md_ensemble 7 181 207 N_GB1_22 N_GB1_26 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 9.946481e-05 0.004395 0.001132 True md_ensemble 7 181 210 - N_GB1_22 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 213 + N_GB1_22 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 213 N_GB1_22 N_GB1_27 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 181 216 - N_GB1_22 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 219 - N_GB1_22 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 220 + N_GB1_22 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 219 + N_GB1_22 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 220 N_GB1_22 N_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 181 226 - N_GB1_22 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 229 - N_GB1_22 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 230 - N_GB1_22 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 231 - N_GB1_22 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 232 + N_GB1_22 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 229 + N_GB1_22 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 230 + N_GB1_22 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 231 + N_GB1_22 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 232 N_GB1_22 NZ_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 7.927193e-04 0.004395 0.001132 True md_ensemble 7 181 233 N_GB1_22 N_GB1_29 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 181 236 - N_GB1_22 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 239 - N_GB1_22 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 240 - N_GB1_22 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 241 + N_GB1_22 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 239 + N_GB1_22 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 240 + N_GB1_22 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 241 N_GB1_22 N_GB1_30 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.360769e-05 0.004395 0.001132 True md_ensemble 7 181 244 - N_GB1_22 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 247 + N_GB1_22 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 247 N_GB1_22 N_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 181 256 - N_GB1_22 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 259 - N_GB1_22 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 260 - N_GB1_22 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 261 - N_GB1_22 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 262 + N_GB1_22 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 259 + N_GB1_22 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 260 + N_GB1_22 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 261 + N_GB1_22 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 262 N_GB1_22 NZ_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 2.649887e-04 0.004395 0.001132 True md_ensemble 7 181 263 N_GB1_22 N_GB1_32 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 181 266 - N_GB1_22 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 269 - N_GB1_22 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 270 + N_GB1_22 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 269 + N_GB1_22 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 270 N_GB1_22 N_GB1_33 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 181 276 - N_GB1_22 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 279 + N_GB1_22 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 279 N_GB1_22 N_GB1_34 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 181 289 - N_GB1_22 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 292 + N_GB1_22 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 292 N_GB1_22 N_GB1_35 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 181 295 - N_GB1_22 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 298 + N_GB1_22 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 298 N_GB1_22 N_GB1_36 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 181 304 - N_GB1_22 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 307 + N_GB1_22 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 307 N_GB1_22 N_GB1_37 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 181 313 - N_GB1_22 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 316 + N_GB1_22 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 316 N_GB1_22 N_GB1_38 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 181 322 - N_GB1_22 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 324 + N_GB1_22 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 324 N_GB1_22 N_GB1_39 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 181 327 - N_GB1_22 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 330 - N_GB1_22 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 331 - N_GB1_22 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 332 + N_GB1_22 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 330 + N_GB1_22 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 331 + N_GB1_22 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 332 N_GB1_22 N_GB1_40 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 181 335 - N_GB1_22 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 338 + N_GB1_22 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 338 N_GB1_22 N_GB1_41 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 181 344 - N_GB1_22 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 346 + N_GB1_22 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 346 N_GB1_22 N_GB1_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 181 349 - N_GB1_22 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 352 - N_GB1_22 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 353 + N_GB1_22 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 352 + N_GB1_22 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 353 N_GB1_22 N_GB1_43 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 181 359 - N_GB1_22 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 362 + N_GB1_22 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 362 N_GB1_22 N_GB1_44 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 181 374 - N_GB1_22 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 377 - N_GB1_22 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 379 + N_GB1_22 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 377 + N_GB1_22 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 379 N_GB1_22 N_GB1_45 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 181 382 - N_GB1_22 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 385 + N_GB1_22 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 385 N_GB1_22 N_GB1_46 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 181 395 - N_GB1_22 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 398 + N_GB1_22 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 398 N_GB1_22 N_GB1_47 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 181 404 - N_GB1_22 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 407 + N_GB1_22 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 407 N_GB1_22 N_GB1_48 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 181 413 - N_GB1_22 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 416 + N_GB1_22 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 416 N_GB1_22 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 181 419 - N_GB1_22 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 422 - N_GB1_22 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 424 + N_GB1_22 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 422 + N_GB1_22 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 424 N_GB1_22 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 181 427 - N_GB1_22 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 430 - N_GB1_22 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 431 - N_GB1_22 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 432 - N_GB1_22 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 433 + N_GB1_22 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 430 + N_GB1_22 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 431 + N_GB1_22 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 432 + N_GB1_22 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 433 N_GB1_22 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 181 434 N_GB1_22 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 181 437 - N_GB1_22 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 440 - N_GB1_22 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 442 + N_GB1_22 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 440 + N_GB1_22 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 442 N_GB1_22 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 181 445 - N_GB1_22 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 448 + N_GB1_22 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 448 N_GB1_22 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 181 457 - N_GB1_22 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 460 - N_GB1_22 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 462 + N_GB1_22 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 460 + N_GB1_22 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 462 N_GB1_22 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 181 465 - N_GB1_22 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 468 - N_GB1_22 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 469 - N_GB1_22 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 470 + N_GB1_22 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 468 + N_GB1_22 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 469 + N_GB1_22 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 470 N_GB1_22 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 181 473 - N_GB1_22 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 476 - N_GB1_22 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 478 + N_GB1_22 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 476 + N_GB1_22 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 478 N_GB1_22 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 181 481 - N_GB1_22 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 484 - N_GB1_22 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 485 + N_GB1_22 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 484 + N_GB1_22 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 181 485 H_GB1_22 H_GB1_22 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 182 182 - H_GB1_22 OD1_GB1_22 1 0.000000e+00 1.241333e-08 ; 1.954275e-01 -1.241333e-08 1.921377e-01 1.804449e-01 0.004395 0.001132 True md_ensemble 5 182 186 - H_GB1_22 OD2_GB1_22 1 0.000000e+00 1.241333e-08 ; 1.954275e-01 -1.241333e-08 1.921377e-01 1.804449e-01 0.004395 0.001132 True md_ensemble 5 182 187 - H_GB1_22 O_GB1_22 1 0.000000e+00 8.678394e-09 ; 1.896844e-01 -8.678394e-09 8.049414e-01 3.642532e-01 0.004395 0.001132 True md_ensemble 4 182 189 + H_GB1_22 OD1_GB1_22 1 0.000000e+00 1.241353e-08 ; 1.954278e-01 -1.241353e-08 1.921377e-01 1.804449e-01 0.004395 0.001132 True md_ensemble 5 182 186 + H_GB1_22 OD2_GB1_22 1 0.000000e+00 1.241353e-08 ; 1.954278e-01 -1.241353e-08 1.921377e-01 1.804449e-01 0.004395 0.001132 True md_ensemble 5 182 187 + H_GB1_22 O_GB1_22 1 0.000000e+00 8.678531e-09 ; 1.896846e-01 -8.678531e-09 8.049414e-01 3.642532e-01 0.004395 0.001132 True md_ensemble 4 182 189 H_GB1_22 H_GB1_23 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 182 191 H_GB1_22 O_GB1_23 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 182 195 H_GB1_22 H_GB1_24 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 182 197 @@ -27391,11 +27391,11 @@ CG2_GB1_21 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- H_GB1_22 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 182 488 H_GB1_22 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 182 490 H_GB1_22 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 182 491 - CA_GB1_22 CB_GB1_23 1 0.000000e+00 2.373791e-05 ; 3.668162e-01 -2.373791e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 183 193 - CA_GB1_22 C_GB1_23 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 183 194 - CA_GB1_22 O_GB1_23 1 0.000000e+00 5.289883e-06 ; 3.236797e-01 -5.289883e-06 8.246535e-03 2.818447e-01 0.004395 0.001132 True md_ensemble 5 183 195 - CA_GB1_22 N_GB1_24 1 0.000000e+00 5.712170e-06 ; 3.257580e-01 -5.712170e-06 1.000000e+00 7.540824e-01 0.004395 0.001132 True md_ensemble 5 183 196 - CA_GB1_22 CA_GB1_24 1 0.000000e+00 4.788743e-05 ; 3.889079e-01 -4.788743e-05 9.999923e-01 7.304764e-01 0.004395 0.001132 True md_ensemble 6 183 198 + CA_GB1_22 CB_GB1_23 1 0.000000e+00 2.373790e-05 ; 3.668162e-01 -2.373790e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 183 193 + CA_GB1_22 C_GB1_23 1 0.000000e+00 1.305180e-05 ; 3.489803e-01 -1.305180e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 183 194 + CA_GB1_22 O_GB1_23 1 0.000000e+00 5.289925e-06 ; 3.236799e-01 -5.289925e-06 8.246535e-03 2.818447e-01 0.004395 0.001132 True md_ensemble 5 183 195 + CA_GB1_22 N_GB1_24 1 0.000000e+00 5.712161e-06 ; 3.257580e-01 -5.712161e-06 1.000000e+00 7.540824e-01 0.004395 0.001132 True md_ensemble 5 183 196 + CA_GB1_22 CA_GB1_24 1 0.000000e+00 4.788778e-05 ; 3.889082e-01 -4.788778e-05 9.999923e-01 7.304764e-01 0.004395 0.001132 True md_ensemble 6 183 198 CA_GB1_22 CB_GB1_24 1 9.522953e-03 1.419831e-04 ; 4.961094e-01 1.596786e-01 7.038993e-01 3.029623e-01 0.004395 0.010759 True md_ensemble 7 183 199 CA_GB1_22 C_GB1_24 1 1.081404e-02 1.447679e-04 ; 4.872824e-01 2.019499e-01 5.482936e-01 8.200028e-02 0.004395 0.008482 True md_ensemble 7 183 200 CA_GB1_22 N_GB1_25 1 3.898618e-03 1.982223e-05 ; 4.146742e-01 1.916942e-01 9.971384e-01 1.819256e-01 0.004395 0.008482 True md_ensemble 7 183 202 @@ -27407,17 +27407,17 @@ CG2_GB1_21 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- CA_GB1_22 N_GB1_26 1 1.062356e-02 1.083315e-04 ; 4.656728e-01 2.604504e-01 4.363961e-01 2.100058e-02 0.004395 0.008482 True md_ensemble 7 183 210 CA_GB1_22 CA_GB1_26 1 2.466490e-02 7.327316e-04 ; 5.565159e-01 2.075648e-01 5.513077e-01 5.645866e-02 0.004395 0.006476 True md_ensemble 7 183 212 CA_GB1_22 CB_GB1_26 1 1.520097e-02 2.684953e-04 ; 5.103219e-01 2.151522e-01 3.839525e-01 5.638716e-02 0.004395 0.010759 True md_ensemble 7 183 213 - CB_GB1_22 CG_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 185 - CB_GB1_22 OD1_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 186 - CB_GB1_22 OD2_GB1_22 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 187 - CB_GB1_22 C_GB1_22 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 188 + CB_GB1_22 CG_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 185 + CB_GB1_22 OD1_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 186 + CB_GB1_22 OD2_GB1_22 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 187 + CB_GB1_22 C_GB1_22 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 188 CB_GB1_22 O_GB1_22 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 189 - CB_GB1_22 N_GB1_23 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 190 - CB_GB1_22 CA_GB1_23 1 0.000000e+00 3.181365e-05 ; 3.758773e-01 -3.181365e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 184 192 - CB_GB1_22 CB_GB1_23 1 0.000000e+00 1.136227e-05 ; 3.449719e-01 -1.136227e-05 5.050811e-01 4.914053e-01 0.004395 0.001132 True md_ensemble 5 184 193 - CB_GB1_22 C_GB1_23 1 0.000000e+00 2.794034e-06 ; 3.069123e-01 -2.794034e-06 9.918801e-01 4.329996e-01 0.004395 0.001132 True md_ensemble 5 184 194 + CB_GB1_22 N_GB1_23 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 190 + CB_GB1_22 CA_GB1_23 1 0.000000e+00 3.181352e-05 ; 3.758772e-01 -3.181352e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 184 192 + CB_GB1_22 CB_GB1_23 1 0.000000e+00 1.136213e-05 ; 3.449716e-01 -1.136213e-05 5.050811e-01 4.914053e-01 0.004395 0.001132 True md_ensemble 5 184 193 + CB_GB1_22 C_GB1_23 1 0.000000e+00 2.793987e-06 ; 3.069119e-01 -2.793987e-06 9.918801e-01 4.329996e-01 0.004395 0.001132 True md_ensemble 5 184 194 CB_GB1_22 O_GB1_23 1 0.000000e+00 2.015656e-06 ; 2.986733e-01 -2.015656e-06 0.000000e+00 7.408848e-02 0.004395 0.001132 True md_ensemble 6 184 195 - CB_GB1_22 N_GB1_24 1 0.000000e+00 1.158997e-06 ; 2.852125e-01 -1.158997e-06 9.980711e-01 3.133517e-01 0.004395 0.001132 True md_ensemble 6 184 196 + CB_GB1_22 N_GB1_24 1 0.000000e+00 1.158982e-06 ; 2.852122e-01 -1.158982e-06 9.980711e-01 3.133517e-01 0.004395 0.001132 True md_ensemble 6 184 196 CB_GB1_22 CA_GB1_24 1 4.529963e-03 3.340056e-05 ; 4.411739e-01 1.535945e-01 9.991873e-01 3.200753e-01 0.004395 0.007117 True md_ensemble 7 184 198 CB_GB1_22 CB_GB1_24 1 4.285857e-03 2.287237e-05 ; 4.180346e-01 2.007725e-01 8.908855e-01 1.952697e-01 0.004395 0.012151 True md_ensemble 7 184 199 CB_GB1_22 C_GB1_24 1 3.381304e-03 2.517750e-05 ; 4.418973e-01 1.135261e-01 6.138196e-01 6.797992e-02 0.004395 0.001132 True md_ensemble 7 184 200 @@ -27427,148 +27427,148 @@ CG2_GB1_21 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- CB_GB1_22 CB_GB1_25 1 1.831765e-03 4.682454e-06 ; 3.697720e-01 1.791454e-01 9.985943e-01 1.949427e-01 0.004395 0.007117 True md_ensemble 7 184 205 CB_GB1_22 OG1_GB1_25 1 4.648395e-04 5.062730e-07 ; 3.207601e-01 1.066992e-01 9.736659e-01 1.230888e-01 0.004395 0.001132 True md_ensemble 7 184 206 CB_GB1_22 CG2_GB1_25 1 4.197834e-03 2.300071e-05 ; 4.198743e-01 1.915355e-01 4.833004e-01 1.267028e-01 0.004395 0.012151 True md_ensemble 7 184 207 - CB_GB1_22 C_GB1_25 1 0.000000e+00 6.293608e-06 ; 3.284001e-01 -6.293608e-06 2.296908e-02 1.659811e-02 0.004395 0.001132 True md_ensemble 7 184 208 + CB_GB1_22 C_GB1_25 1 0.000000e+00 6.293502e-06 ; 3.283997e-01 -6.293502e-06 2.296908e-02 1.659811e-02 0.004395 0.001132 True md_ensemble 7 184 208 CB_GB1_22 O_GB1_25 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.684414e-02 0.004395 0.007862 True md_ensemble 7 184 209 - CB_GB1_22 N_GB1_26 1 0.000000e+00 3.658616e-06 ; 3.138856e-01 -3.658616e-06 1.323577e-02 8.484567e-03 0.004395 0.001132 True md_ensemble 7 184 210 - CB_GB1_22 C_GB1_26 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 214 + CB_GB1_22 N_GB1_26 1 0.000000e+00 3.658568e-06 ; 3.138853e-01 -3.658568e-06 1.323577e-02 8.484567e-03 0.004395 0.001132 True md_ensemble 7 184 210 + CB_GB1_22 C_GB1_26 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 214 CB_GB1_22 O_GB1_26 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.208458e-03 0.004395 0.007862 True md_ensemble 7 184 215 - CB_GB1_22 N_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 216 - CB_GB1_22 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 221 - CB_GB1_22 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 222 - CB_GB1_22 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 223 - CB_GB1_22 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 224 + CB_GB1_22 N_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 216 + CB_GB1_22 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 221 + CB_GB1_22 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 222 + CB_GB1_22 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 223 + CB_GB1_22 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 224 CB_GB1_22 O_GB1_27 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.111287e-03 0.004395 0.007862 True md_ensemble 7 184 225 - CB_GB1_22 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 226 - CB_GB1_22 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 233 - CB_GB1_22 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 234 + CB_GB1_22 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 226 + CB_GB1_22 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 233 + CB_GB1_22 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 234 CB_GB1_22 O_GB1_28 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 8.358284e-04 0.004395 0.007862 True md_ensemble 7 184 235 - CB_GB1_22 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 236 - CB_GB1_22 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 242 + CB_GB1_22 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 236 + CB_GB1_22 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 242 CB_GB1_22 O_GB1_29 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.642381e-04 0.004395 0.007862 True md_ensemble 7 184 243 - CB_GB1_22 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 244 - CB_GB1_22 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 254 + CB_GB1_22 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 244 + CB_GB1_22 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 254 CB_GB1_22 O_GB1_30 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.486853e-04 0.004395 0.007862 True md_ensemble 7 184 255 - CB_GB1_22 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 256 - CB_GB1_22 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 263 - CB_GB1_22 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 264 + CB_GB1_22 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 256 + CB_GB1_22 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 263 + CB_GB1_22 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 264 CB_GB1_22 O_GB1_31 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.443562e-04 0.004395 0.007862 True md_ensemble 7 184 265 - CB_GB1_22 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 266 - CB_GB1_22 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 271 + CB_GB1_22 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 266 + CB_GB1_22 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 271 CB_GB1_22 OE1_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.093277e-03 0.004395 0.007862 True md_ensemble 7 184 272 - CB_GB1_22 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 273 - CB_GB1_22 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 274 + CB_GB1_22 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 273 + CB_GB1_22 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 274 CB_GB1_22 O_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.689082e-04 0.004395 0.007862 True md_ensemble 7 184 275 - CB_GB1_22 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 276 - CB_GB1_22 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 286 - CB_GB1_22 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 287 + CB_GB1_22 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 276 + CB_GB1_22 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 286 + CB_GB1_22 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 287 CB_GB1_22 O_GB1_33 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.058122e-04 0.004395 0.007862 True md_ensemble 7 184 288 - CB_GB1_22 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 289 - CB_GB1_22 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 293 + CB_GB1_22 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 289 + CB_GB1_22 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 293 CB_GB1_22 O_GB1_34 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.000792e-04 0.004395 0.007862 True md_ensemble 7 184 294 - CB_GB1_22 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 295 - CB_GB1_22 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 299 + CB_GB1_22 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 295 + CB_GB1_22 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 299 CB_GB1_22 OD1_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.003563e-04 0.004395 0.007862 True md_ensemble 7 184 300 - CB_GB1_22 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 301 - CB_GB1_22 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 302 + CB_GB1_22 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 301 + CB_GB1_22 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 302 CB_GB1_22 O_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 184 303 - CB_GB1_22 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 304 - CB_GB1_22 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 308 - CB_GB1_22 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 309 - CB_GB1_22 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 310 - CB_GB1_22 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 311 + CB_GB1_22 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 304 + CB_GB1_22 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 308 + CB_GB1_22 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 309 + CB_GB1_22 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 310 + CB_GB1_22 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 311 CB_GB1_22 O_GB1_36 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.999827e-04 0.004395 0.007862 True md_ensemble 7 184 312 - CB_GB1_22 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 313 - CB_GB1_22 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 317 + CB_GB1_22 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 313 + CB_GB1_22 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 317 CB_GB1_22 OD1_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.053181e-04 0.004395 0.007862 True md_ensemble 7 184 318 - CB_GB1_22 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 319 - CB_GB1_22 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 320 + CB_GB1_22 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 319 + CB_GB1_22 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 320 CB_GB1_22 O_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.154068e-04 0.004395 0.007862 True md_ensemble 7 184 321 - CB_GB1_22 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 322 - CB_GB1_22 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 325 + CB_GB1_22 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 322 + CB_GB1_22 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 325 CB_GB1_22 O_GB1_38 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.381095e-04 0.004395 0.007862 True md_ensemble 7 184 326 - CB_GB1_22 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 327 - CB_GB1_22 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 333 + CB_GB1_22 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 327 + CB_GB1_22 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 333 CB_GB1_22 O_GB1_39 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.533667e-04 0.004395 0.007862 True md_ensemble 7 184 334 - CB_GB1_22 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 335 - CB_GB1_22 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 339 - CB_GB1_22 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 340 - CB_GB1_22 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 341 - CB_GB1_22 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 342 + CB_GB1_22 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 335 + CB_GB1_22 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 339 + CB_GB1_22 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 340 + CB_GB1_22 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 341 + CB_GB1_22 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 342 CB_GB1_22 O_GB1_40 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.000607e-04 0.004395 0.007862 True md_ensemble 7 184 343 - CB_GB1_22 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 344 - CB_GB1_22 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 347 + CB_GB1_22 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 344 + CB_GB1_22 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 347 CB_GB1_22 O_GB1_41 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.542901e-04 0.004395 0.007862 True md_ensemble 7 184 348 - CB_GB1_22 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 349 - CB_GB1_22 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 354 - CB_GB1_22 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 355 - CB_GB1_22 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 356 - CB_GB1_22 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 357 + CB_GB1_22 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 349 + CB_GB1_22 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 354 + CB_GB1_22 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 355 + CB_GB1_22 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 356 + CB_GB1_22 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 357 CB_GB1_22 O_GB1_42 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.322259e-04 0.004395 0.007862 True md_ensemble 7 184 358 - CB_GB1_22 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 359 - CB_GB1_22 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 366 - CB_GB1_22 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 372 + CB_GB1_22 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 359 + CB_GB1_22 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 366 + CB_GB1_22 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 372 CB_GB1_22 O_GB1_43 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 184 373 - CB_GB1_22 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 374 - CB_GB1_22 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 378 - CB_GB1_22 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 380 + CB_GB1_22 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 374 + CB_GB1_22 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 378 + CB_GB1_22 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 380 CB_GB1_22 O_GB1_44 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.998523e-04 0.004395 0.007862 True md_ensemble 7 184 381 - CB_GB1_22 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 382 - CB_GB1_22 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 392 - CB_GB1_22 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 393 + CB_GB1_22 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 382 + CB_GB1_22 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 392 + CB_GB1_22 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 393 CB_GB1_22 O_GB1_45 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.445303e-05 0.004395 0.007862 True md_ensemble 7 184 394 - CB_GB1_22 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 395 - CB_GB1_22 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 399 - CB_GB1_22 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 400 - CB_GB1_22 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 401 - CB_GB1_22 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 402 + CB_GB1_22 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 395 + CB_GB1_22 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 399 + CB_GB1_22 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 400 + CB_GB1_22 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 401 + CB_GB1_22 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 402 CB_GB1_22 O_GB1_46 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 184 403 - CB_GB1_22 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 404 - CB_GB1_22 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 408 - CB_GB1_22 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 409 - CB_GB1_22 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 410 - CB_GB1_22 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 411 + CB_GB1_22 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 404 + CB_GB1_22 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 408 + CB_GB1_22 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 409 + CB_GB1_22 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 410 + CB_GB1_22 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 411 CB_GB1_22 O_GB1_47 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.994706e-05 0.004395 0.007862 True md_ensemble 7 184 412 - CB_GB1_22 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 413 - CB_GB1_22 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 417 + CB_GB1_22 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 413 + CB_GB1_22 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 417 CB_GB1_22 O_GB1_48 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.035808e-05 0.004395 0.007862 True md_ensemble 7 184 418 - CB_GB1_22 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 419 - CB_GB1_22 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 423 - CB_GB1_22 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 425 + CB_GB1_22 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 419 + CB_GB1_22 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 423 + CB_GB1_22 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 425 CB_GB1_22 O_GB1_49 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.133712e-04 0.004395 0.007862 True md_ensemble 7 184 426 - CB_GB1_22 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 427 - CB_GB1_22 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 434 - CB_GB1_22 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 435 + CB_GB1_22 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 427 + CB_GB1_22 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 434 + CB_GB1_22 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 435 CB_GB1_22 O_GB1_50 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.999241e-04 0.004395 0.007862 True md_ensemble 7 184 436 - CB_GB1_22 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 437 - CB_GB1_22 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 441 - CB_GB1_22 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 443 + CB_GB1_22 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 437 + CB_GB1_22 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 441 + CB_GB1_22 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 443 CB_GB1_22 O_GB1_51 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.992856e-05 0.004395 0.007862 True md_ensemble 7 184 444 - CB_GB1_22 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 445 - CB_GB1_22 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 455 + CB_GB1_22 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 445 + CB_GB1_22 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 455 CB_GB1_22 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.955933e-04 0.004395 0.007862 True md_ensemble 7 184 456 - CB_GB1_22 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 457 - CB_GB1_22 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 461 - CB_GB1_22 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 463 + CB_GB1_22 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 457 + CB_GB1_22 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 461 + CB_GB1_22 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 463 CB_GB1_22 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.880389e-06 0.004395 0.007862 True md_ensemble 7 184 464 - CB_GB1_22 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 465 - CB_GB1_22 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 471 + CB_GB1_22 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 465 + CB_GB1_22 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 471 CB_GB1_22 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 184 472 - CB_GB1_22 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 473 - CB_GB1_22 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 477 - CB_GB1_22 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 479 + CB_GB1_22 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 473 + CB_GB1_22 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 477 + CB_GB1_22 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 479 CB_GB1_22 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 184 480 - CB_GB1_22 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 481 - CB_GB1_22 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 486 - CB_GB1_22 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 487 - CB_GB1_22 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 488 - CB_GB1_22 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 489 - CB_GB1_22 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 490 - CB_GB1_22 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 491 - CG_GB1_22 O_GB1_22 1 0.000000e+00 7.570245e-07 ; 2.752670e-01 -7.570245e-07 7.066031e-01 6.220527e-01 0.004395 0.001132 True md_ensemble 4 185 189 - CG_GB1_22 N_GB1_23 1 0.000000e+00 1.254220e-06 ; 2.870953e-01 -1.254220e-06 9.245120e-01 7.561405e-01 0.004395 0.001132 True md_ensemble 4 185 190 - CG_GB1_22 CA_GB1_23 1 0.000000e+00 1.147528e-05 ; 3.452566e-01 -1.147528e-05 5.160413e-01 3.952474e-01 0.004395 0.001132 True md_ensemble 5 185 192 - CG_GB1_22 CB_GB1_23 1 0.000000e+00 4.630661e-06 ; 3.201095e-01 -4.630661e-06 7.503376e-02 5.483650e-02 0.004395 0.001132 True md_ensemble 6 185 193 - CG_GB1_22 C_GB1_23 1 0.000000e+00 1.979979e-06 ; 2.982291e-01 -1.979979e-06 3.259724e-01 8.792202e-02 0.004395 0.001132 True md_ensemble 6 185 194 + CB_GB1_22 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 481 + CB_GB1_22 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 486 + CB_GB1_22 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 487 + CB_GB1_22 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 488 + CB_GB1_22 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 489 + CB_GB1_22 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 490 + CB_GB1_22 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 184 491 + CG_GB1_22 O_GB1_22 1 0.000000e+00 7.570210e-07 ; 2.752669e-01 -7.570210e-07 7.066031e-01 6.220527e-01 0.004395 0.001132 True md_ensemble 4 185 189 + CG_GB1_22 N_GB1_23 1 0.000000e+00 1.254202e-06 ; 2.870950e-01 -1.254202e-06 9.245120e-01 7.561405e-01 0.004395 0.001132 True md_ensemble 4 185 190 + CG_GB1_22 CA_GB1_23 1 0.000000e+00 1.147522e-05 ; 3.452564e-01 -1.147522e-05 5.160413e-01 3.952474e-01 0.004395 0.001132 True md_ensemble 5 185 192 + CG_GB1_22 CB_GB1_23 1 0.000000e+00 4.630601e-06 ; 3.201092e-01 -4.630601e-06 7.503376e-02 5.483650e-02 0.004395 0.001132 True md_ensemble 6 185 193 + CG_GB1_22 C_GB1_23 1 0.000000e+00 1.979944e-06 ; 2.982287e-01 -1.979944e-06 3.259724e-01 8.792202e-02 0.004395 0.001132 True md_ensemble 6 185 194 CG_GB1_22 N_GB1_24 1 9.848136e-04 1.230934e-06 ; 3.282062e-01 1.969760e-01 4.671319e-01 1.050619e-01 0.004395 0.011584 True md_ensemble 7 185 196 CG_GB1_22 CA_GB1_24 1 2.595521e-03 9.502547e-06 ; 3.925870e-01 1.772349e-01 5.001039e-01 1.207572e-01 0.004395 0.008482 True md_ensemble 7 185 198 CG_GB1_22 CB_GB1_24 1 7.062753e-04 1.518979e-06 ; 3.592772e-01 8.209869e-02 4.944487e-01 1.006970e-01 0.004395 0.001132 True md_ensemble 7 185 199 @@ -27577,70 +27577,70 @@ CG2_GB1_21 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- CG_GB1_22 CA_GB1_25 1 4.296001e-03 2.001443e-05 ; 4.086766e-01 2.305290e-01 4.719250e-01 4.055990e-02 0.004395 0.008482 True md_ensemble 7 185 204 CG_GB1_22 CB_GB1_25 1 1.098343e-03 2.538790e-06 ; 3.636203e-01 1.187926e-01 8.298241e-01 8.298379e-02 0.004395 0.001132 True md_ensemble 7 185 205 CG_GB1_22 OG1_GB1_25 1 6.908728e-04 4.757606e-07 ; 2.971655e-01 2.508117e-01 6.653373e-01 5.270634e-02 0.004395 0.011584 True md_ensemble 7 185 206 - CG_GB1_22 CG2_GB1_25 1 0.000000e+00 4.437375e-06 ; 3.189742e-01 -4.437375e-06 1.224701e-01 6.137529e-02 0.004395 0.001132 True md_ensemble 7 185 207 - CG_GB1_22 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 213 - CG_GB1_22 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 219 - CG_GB1_22 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 220 - CG_GB1_22 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 229 - CG_GB1_22 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 230 - CG_GB1_22 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 231 - CG_GB1_22 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 232 - CG_GB1_22 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 239 - CG_GB1_22 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 240 - CG_GB1_22 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 241 - CG_GB1_22 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 247 - CG_GB1_22 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 259 - CG_GB1_22 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 260 - CG_GB1_22 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 261 - CG_GB1_22 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 262 - CG_GB1_22 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 269 - CG_GB1_22 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 270 - CG_GB1_22 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 279 - CG_GB1_22 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 292 - CG_GB1_22 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 298 - CG_GB1_22 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 307 - CG_GB1_22 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 316 - CG_GB1_22 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 324 - CG_GB1_22 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 330 - CG_GB1_22 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 331 - CG_GB1_22 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 332 - CG_GB1_22 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 338 - CG_GB1_22 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 346 - CG_GB1_22 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 352 - CG_GB1_22 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 353 - CG_GB1_22 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 362 - CG_GB1_22 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 377 - CG_GB1_22 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 379 - CG_GB1_22 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 385 - CG_GB1_22 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 398 - CG_GB1_22 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 407 - CG_GB1_22 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 416 - CG_GB1_22 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 422 - CG_GB1_22 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 424 - CG_GB1_22 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 430 - CG_GB1_22 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 431 - CG_GB1_22 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 432 - CG_GB1_22 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 433 - CG_GB1_22 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 440 - CG_GB1_22 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 442 - CG_GB1_22 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 448 - CG_GB1_22 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 460 - CG_GB1_22 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 462 - CG_GB1_22 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 468 - CG_GB1_22 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 469 - CG_GB1_22 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 470 - CG_GB1_22 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 476 - CG_GB1_22 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 478 - CG_GB1_22 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 484 - CG_GB1_22 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 485 + CG_GB1_22 CG2_GB1_25 1 0.000000e+00 4.437317e-06 ; 3.189738e-01 -4.437317e-06 1.224701e-01 6.137529e-02 0.004395 0.001132 True md_ensemble 7 185 207 + CG_GB1_22 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 213 + CG_GB1_22 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 219 + CG_GB1_22 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 220 + CG_GB1_22 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 229 + CG_GB1_22 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 230 + CG_GB1_22 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 231 + CG_GB1_22 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 232 + CG_GB1_22 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 239 + CG_GB1_22 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 240 + CG_GB1_22 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 241 + CG_GB1_22 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 247 + CG_GB1_22 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 259 + CG_GB1_22 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 260 + CG_GB1_22 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 261 + CG_GB1_22 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 262 + CG_GB1_22 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 269 + CG_GB1_22 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 270 + CG_GB1_22 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 279 + CG_GB1_22 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 292 + CG_GB1_22 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 298 + CG_GB1_22 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 307 + CG_GB1_22 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 316 + CG_GB1_22 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 324 + CG_GB1_22 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 330 + CG_GB1_22 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 331 + CG_GB1_22 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 332 + CG_GB1_22 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 338 + CG_GB1_22 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 346 + CG_GB1_22 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 352 + CG_GB1_22 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 353 + CG_GB1_22 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 362 + CG_GB1_22 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 377 + CG_GB1_22 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 379 + CG_GB1_22 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 385 + CG_GB1_22 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 398 + CG_GB1_22 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 407 + CG_GB1_22 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 416 + CG_GB1_22 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 422 + CG_GB1_22 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 424 + CG_GB1_22 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 430 + CG_GB1_22 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 431 + CG_GB1_22 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 432 + CG_GB1_22 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 433 + CG_GB1_22 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 440 + CG_GB1_22 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 442 + CG_GB1_22 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 448 + CG_GB1_22 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 460 + CG_GB1_22 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 462 + CG_GB1_22 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 468 + CG_GB1_22 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 469 + CG_GB1_22 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 470 + CG_GB1_22 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 476 + CG_GB1_22 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 478 + CG_GB1_22 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 484 + CG_GB1_22 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 185 485 OD1_GB1_22 OD1_GB1_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 186 OD1_GB1_22 OD2_GB1_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 187 -OD1_GB1_22 C_GB1_22 1 0.000000e+00 5.892239e-07 ; 2.695784e-01 -5.892239e-07 6.460544e-01 5.262795e-01 0.004395 0.001132 True md_ensemble 4 186 188 +OD1_GB1_22 C_GB1_22 1 0.000000e+00 5.892213e-07 ; 2.695783e-01 -5.892213e-07 6.460544e-01 5.262795e-01 0.004395 0.001132 True md_ensemble 4 186 188 OD1_GB1_22 O_GB1_22 1 0.000000e+00 1.429216e-06 ; 2.902373e-01 -1.429216e-06 4.041925e-01 3.570034e-01 0.004395 0.001132 True md_ensemble 5 186 189 OD1_GB1_22 N_GB1_23 1 0.000000e+00 1.310092e-06 ; 2.881400e-01 -1.310092e-06 4.697034e-01 3.430981e-01 0.004395 0.001132 True md_ensemble 5 186 190 -OD1_GB1_22 H_GB1_23 1 0.000000e+00 1.159086e-08 ; 1.943142e-01 -1.159086e-08 1.198493e-01 4.267364e-02 0.004395 0.001132 True md_ensemble 6 186 191 -OD1_GB1_22 CA_GB1_23 1 0.000000e+00 3.032503e-06 ; 3.090142e-01 -3.032503e-06 2.478694e-01 1.498071e-01 0.004395 0.001132 True md_ensemble 6 186 192 -OD1_GB1_22 CB_GB1_23 1 0.000000e+00 1.167627e-06 ; 2.853889e-01 -1.167627e-06 6.124155e-02 2.030588e-02 0.004395 0.001132 True md_ensemble 7 186 193 +OD1_GB1_22 H_GB1_23 1 0.000000e+00 1.159104e-08 ; 1.943145e-01 -1.159104e-08 1.198493e-01 4.267364e-02 0.004395 0.001132 True md_ensemble 6 186 191 +OD1_GB1_22 CA_GB1_23 1 0.000000e+00 3.032528e-06 ; 3.090144e-01 -3.032528e-06 2.478694e-01 1.498071e-01 0.004395 0.001132 True md_ensemble 6 186 192 +OD1_GB1_22 CB_GB1_23 1 0.000000e+00 1.167628e-06 ; 2.853889e-01 -1.167628e-06 6.124155e-02 2.030588e-02 0.004395 0.001132 True md_ensemble 7 186 193 OD1_GB1_22 C_GB1_23 1 1.349937e-03 2.390869e-06 ; 3.478354e-01 1.905509e-01 1.314619e-01 3.348863e-02 0.004395 0.011584 True md_ensemble 7 186 194 OD1_GB1_22 O_GB1_23 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 195 OD1_GB1_22 N_GB1_24 1 2.657858e-04 9.176191e-08 ; 2.648633e-01 1.924603e-01 3.595771e-01 8.827148e-02 0.004395 0.011584 True md_ensemble 7 186 196 @@ -27661,94 +27661,94 @@ OD1_GB1_22 H_GB1_26 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e- OD1_GB1_22 CB_GB1_26 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 213 OD1_GB1_22 O_GB1_26 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 215 OD1_GB1_22 H_GB1_27 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 217 -OD1_GB1_22 CB_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 219 -OD1_GB1_22 CG_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 220 +OD1_GB1_22 CB_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 219 +OD1_GB1_22 CG_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 220 OD1_GB1_22 OE1_GB1_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 222 OD1_GB1_22 OE2_GB1_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 223 OD1_GB1_22 O_GB1_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 225 OD1_GB1_22 H_GB1_28 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 227 -OD1_GB1_22 CB_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 229 -OD1_GB1_22 CG_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 230 -OD1_GB1_22 CD_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 231 -OD1_GB1_22 CE_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 232 +OD1_GB1_22 CB_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 229 +OD1_GB1_22 CG_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 230 +OD1_GB1_22 CD_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 231 +OD1_GB1_22 CE_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 232 OD1_GB1_22 O_GB1_28 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 235 OD1_GB1_22 H_GB1_29 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 237 -OD1_GB1_22 CB_GB1_29 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 239 +OD1_GB1_22 CB_GB1_29 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 239 OD1_GB1_22 CG1_GB1_29 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 240 OD1_GB1_22 CG2_GB1_29 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 241 OD1_GB1_22 O_GB1_29 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 243 OD1_GB1_22 H_GB1_30 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 245 -OD1_GB1_22 CB_GB1_30 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 247 +OD1_GB1_22 CB_GB1_30 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 247 OD1_GB1_22 O_GB1_30 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 255 OD1_GB1_22 H_GB1_31 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 257 -OD1_GB1_22 CB_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 259 -OD1_GB1_22 CG_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 260 -OD1_GB1_22 CD_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 261 -OD1_GB1_22 CE_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 262 +OD1_GB1_22 CB_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 259 +OD1_GB1_22 CG_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 260 +OD1_GB1_22 CD_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 261 +OD1_GB1_22 CE_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 262 OD1_GB1_22 O_GB1_31 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 265 OD1_GB1_22 H_GB1_32 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 267 -OD1_GB1_22 CB_GB1_32 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 269 -OD1_GB1_22 CG_GB1_32 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 270 +OD1_GB1_22 CB_GB1_32 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 269 +OD1_GB1_22 CG_GB1_32 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 270 OD1_GB1_22 OE1_GB1_32 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 272 OD1_GB1_22 O_GB1_32 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 275 OD1_GB1_22 H_GB1_33 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 277 -OD1_GB1_22 CB_GB1_33 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 279 +OD1_GB1_22 CB_GB1_33 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 279 OD1_GB1_22 O_GB1_33 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 288 OD1_GB1_22 H_GB1_34 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 290 OD1_GB1_22 CB_GB1_34 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 292 OD1_GB1_22 O_GB1_34 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 294 OD1_GB1_22 H_GB1_35 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 296 -OD1_GB1_22 CB_GB1_35 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 298 +OD1_GB1_22 CB_GB1_35 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 298 OD1_GB1_22 OD1_GB1_35 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 300 OD1_GB1_22 O_GB1_35 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 303 OD1_GB1_22 H_GB1_36 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 305 -OD1_GB1_22 CB_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 307 +OD1_GB1_22 CB_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 307 OD1_GB1_22 OD1_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 309 OD1_GB1_22 OD2_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 310 OD1_GB1_22 O_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 312 OD1_GB1_22 H_GB1_37 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 314 -OD1_GB1_22 CB_GB1_37 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 316 +OD1_GB1_22 CB_GB1_37 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 316 OD1_GB1_22 OD1_GB1_37 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 318 OD1_GB1_22 O_GB1_37 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 321 OD1_GB1_22 H_GB1_38 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 323 -OD1_GB1_22 CA_GB1_38 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 324 +OD1_GB1_22 CA_GB1_38 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 324 OD1_GB1_22 O_GB1_38 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 326 OD1_GB1_22 H_GB1_39 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 328 -OD1_GB1_22 CB_GB1_39 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 330 +OD1_GB1_22 CB_GB1_39 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 330 OD1_GB1_22 CG1_GB1_39 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 331 OD1_GB1_22 CG2_GB1_39 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 332 OD1_GB1_22 O_GB1_39 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 334 OD1_GB1_22 H_GB1_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 336 -OD1_GB1_22 CB_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 338 +OD1_GB1_22 CB_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 338 OD1_GB1_22 OD1_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 340 OD1_GB1_22 OD2_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 341 OD1_GB1_22 O_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 343 OD1_GB1_22 H_GB1_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 345 -OD1_GB1_22 CA_GB1_41 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 346 +OD1_GB1_22 CA_GB1_41 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 346 OD1_GB1_22 O_GB1_41 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 348 OD1_GB1_22 H_GB1_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 350 -OD1_GB1_22 CB_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 352 -OD1_GB1_22 CG_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 353 +OD1_GB1_22 CB_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 352 +OD1_GB1_22 CG_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 353 OD1_GB1_22 OE1_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 355 OD1_GB1_22 OE2_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 356 OD1_GB1_22 O_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 358 OD1_GB1_22 H_GB1_43 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 360 -OD1_GB1_22 CB_GB1_43 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 362 +OD1_GB1_22 CB_GB1_43 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 362 OD1_GB1_22 O_GB1_43 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 373 OD1_GB1_22 H_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 375 -OD1_GB1_22 CB_GB1_44 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 377 +OD1_GB1_22 CB_GB1_44 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 377 OD1_GB1_22 CG2_GB1_44 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 379 OD1_GB1_22 O_GB1_44 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 381 OD1_GB1_22 H_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 383 -OD1_GB1_22 CB_GB1_45 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 385 +OD1_GB1_22 CB_GB1_45 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 385 OD1_GB1_22 O_GB1_45 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 394 OD1_GB1_22 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 396 -OD1_GB1_22 CB_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 398 +OD1_GB1_22 CB_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 398 OD1_GB1_22 OD1_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 400 OD1_GB1_22 OD2_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 401 OD1_GB1_22 O_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 403 OD1_GB1_22 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 405 -OD1_GB1_22 CB_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 407 +OD1_GB1_22 CB_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 407 OD1_GB1_22 OD1_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 409 OD1_GB1_22 OD2_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 410 OD1_GB1_22 O_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 412 @@ -27756,49 +27756,49 @@ OD1_GB1_22 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e- OD1_GB1_22 CB_GB1_48 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 416 OD1_GB1_22 O_GB1_48 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 418 OD1_GB1_22 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 420 -OD1_GB1_22 CB_GB1_49 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 422 +OD1_GB1_22 CB_GB1_49 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 422 OD1_GB1_22 CG2_GB1_49 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 424 OD1_GB1_22 O_GB1_49 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 426 OD1_GB1_22 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 428 -OD1_GB1_22 CB_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 430 -OD1_GB1_22 CG_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 431 -OD1_GB1_22 CD_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 432 -OD1_GB1_22 CE_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 433 +OD1_GB1_22 CB_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 430 +OD1_GB1_22 CG_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 431 +OD1_GB1_22 CD_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 432 +OD1_GB1_22 CE_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 433 OD1_GB1_22 O_GB1_50 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 436 OD1_GB1_22 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 438 -OD1_GB1_22 CB_GB1_51 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 440 +OD1_GB1_22 CB_GB1_51 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 440 OD1_GB1_22 CG2_GB1_51 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 442 OD1_GB1_22 O_GB1_51 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 444 OD1_GB1_22 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 446 -OD1_GB1_22 CB_GB1_52 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 448 +OD1_GB1_22 CB_GB1_52 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 448 OD1_GB1_22 O_GB1_52 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 456 OD1_GB1_22 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 458 -OD1_GB1_22 CB_GB1_53 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 460 +OD1_GB1_22 CB_GB1_53 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 460 OD1_GB1_22 CG2_GB1_53 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 462 OD1_GB1_22 O_GB1_53 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 464 OD1_GB1_22 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 466 -OD1_GB1_22 CB_GB1_54 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 468 +OD1_GB1_22 CB_GB1_54 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 468 OD1_GB1_22 CG1_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 469 OD1_GB1_22 CG2_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 470 OD1_GB1_22 O_GB1_54 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 472 OD1_GB1_22 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 474 -OD1_GB1_22 CB_GB1_55 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 476 +OD1_GB1_22 CB_GB1_55 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 476 OD1_GB1_22 CG2_GB1_55 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 478 OD1_GB1_22 O_GB1_55 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 480 OD1_GB1_22 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 482 -OD1_GB1_22 CB_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 484 -OD1_GB1_22 CG_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 485 +OD1_GB1_22 CB_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 484 +OD1_GB1_22 CG_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 485 OD1_GB1_22 OE1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 487 OD1_GB1_22 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 488 OD1_GB1_22 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 490 OD1_GB1_22 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 186 491 OD2_GB1_22 OD2_GB1_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 187 -OD2_GB1_22 C_GB1_22 1 0.000000e+00 5.892239e-07 ; 2.695784e-01 -5.892239e-07 6.460544e-01 5.262795e-01 0.004395 0.001132 True md_ensemble 4 187 188 +OD2_GB1_22 C_GB1_22 1 0.000000e+00 5.892213e-07 ; 2.695783e-01 -5.892213e-07 6.460544e-01 5.262795e-01 0.004395 0.001132 True md_ensemble 4 187 188 OD2_GB1_22 O_GB1_22 1 0.000000e+00 1.429216e-06 ; 2.902373e-01 -1.429216e-06 4.041925e-01 3.570034e-01 0.004395 0.001132 True md_ensemble 5 187 189 OD2_GB1_22 N_GB1_23 1 0.000000e+00 1.310092e-06 ; 2.881400e-01 -1.310092e-06 4.697034e-01 3.430981e-01 0.004395 0.001132 True md_ensemble 5 187 190 -OD2_GB1_22 H_GB1_23 1 0.000000e+00 1.159086e-08 ; 1.943142e-01 -1.159086e-08 1.198493e-01 4.267364e-02 0.004395 0.001132 True md_ensemble 6 187 191 -OD2_GB1_22 CA_GB1_23 1 0.000000e+00 3.032503e-06 ; 3.090142e-01 -3.032503e-06 2.478694e-01 1.498071e-01 0.004395 0.001132 True md_ensemble 6 187 192 -OD2_GB1_22 CB_GB1_23 1 0.000000e+00 1.167627e-06 ; 2.853889e-01 -1.167627e-06 6.124155e-02 2.030588e-02 0.004395 0.001132 True md_ensemble 7 187 193 +OD2_GB1_22 H_GB1_23 1 0.000000e+00 1.159104e-08 ; 1.943145e-01 -1.159104e-08 1.198493e-01 4.267364e-02 0.004395 0.001132 True md_ensemble 6 187 191 +OD2_GB1_22 CA_GB1_23 1 0.000000e+00 3.032528e-06 ; 3.090144e-01 -3.032528e-06 2.478694e-01 1.498071e-01 0.004395 0.001132 True md_ensemble 6 187 192 +OD2_GB1_22 CB_GB1_23 1 0.000000e+00 1.167628e-06 ; 2.853889e-01 -1.167628e-06 6.124155e-02 2.030588e-02 0.004395 0.001132 True md_ensemble 7 187 193 OD2_GB1_22 C_GB1_23 1 1.349937e-03 2.390869e-06 ; 3.478354e-01 1.905509e-01 1.314619e-01 3.348863e-02 0.004395 0.011584 True md_ensemble 7 187 194 OD2_GB1_22 O_GB1_23 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 195 OD2_GB1_22 N_GB1_24 1 2.657858e-04 9.176191e-08 ; 2.648633e-01 1.924603e-01 3.595771e-01 8.827148e-02 0.004395 0.011584 True md_ensemble 7 187 196 @@ -27819,94 +27819,94 @@ OD2_GB1_22 H_GB1_26 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e- OD2_GB1_22 CB_GB1_26 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 213 OD2_GB1_22 O_GB1_26 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 215 OD2_GB1_22 H_GB1_27 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 217 -OD2_GB1_22 CB_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 219 -OD2_GB1_22 CG_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 220 +OD2_GB1_22 CB_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 219 +OD2_GB1_22 CG_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 220 OD2_GB1_22 OE1_GB1_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 222 OD2_GB1_22 OE2_GB1_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 223 OD2_GB1_22 O_GB1_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 225 OD2_GB1_22 H_GB1_28 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 227 -OD2_GB1_22 CB_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 229 -OD2_GB1_22 CG_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 230 -OD2_GB1_22 CD_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 231 -OD2_GB1_22 CE_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 232 +OD2_GB1_22 CB_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 229 +OD2_GB1_22 CG_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 230 +OD2_GB1_22 CD_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 231 +OD2_GB1_22 CE_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 232 OD2_GB1_22 O_GB1_28 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 235 OD2_GB1_22 H_GB1_29 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 237 -OD2_GB1_22 CB_GB1_29 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 239 +OD2_GB1_22 CB_GB1_29 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 239 OD2_GB1_22 CG1_GB1_29 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 240 OD2_GB1_22 CG2_GB1_29 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 241 OD2_GB1_22 O_GB1_29 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 243 OD2_GB1_22 H_GB1_30 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 245 -OD2_GB1_22 CB_GB1_30 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 247 +OD2_GB1_22 CB_GB1_30 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 247 OD2_GB1_22 O_GB1_30 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 255 OD2_GB1_22 H_GB1_31 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 257 -OD2_GB1_22 CB_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 259 -OD2_GB1_22 CG_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 260 -OD2_GB1_22 CD_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 261 -OD2_GB1_22 CE_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 262 +OD2_GB1_22 CB_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 259 +OD2_GB1_22 CG_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 260 +OD2_GB1_22 CD_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 261 +OD2_GB1_22 CE_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 262 OD2_GB1_22 O_GB1_31 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 265 OD2_GB1_22 H_GB1_32 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 267 -OD2_GB1_22 CB_GB1_32 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 269 -OD2_GB1_22 CG_GB1_32 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 270 +OD2_GB1_22 CB_GB1_32 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 269 +OD2_GB1_22 CG_GB1_32 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 270 OD2_GB1_22 OE1_GB1_32 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 272 OD2_GB1_22 O_GB1_32 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 275 OD2_GB1_22 H_GB1_33 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 277 -OD2_GB1_22 CB_GB1_33 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 279 +OD2_GB1_22 CB_GB1_33 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 279 OD2_GB1_22 O_GB1_33 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 288 OD2_GB1_22 H_GB1_34 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 290 OD2_GB1_22 CB_GB1_34 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 292 OD2_GB1_22 O_GB1_34 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 294 OD2_GB1_22 H_GB1_35 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 296 -OD2_GB1_22 CB_GB1_35 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 298 +OD2_GB1_22 CB_GB1_35 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 298 OD2_GB1_22 OD1_GB1_35 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 300 OD2_GB1_22 O_GB1_35 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 303 OD2_GB1_22 H_GB1_36 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 305 -OD2_GB1_22 CB_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 307 +OD2_GB1_22 CB_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 307 OD2_GB1_22 OD1_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 309 OD2_GB1_22 OD2_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 310 OD2_GB1_22 O_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 312 OD2_GB1_22 H_GB1_37 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 314 -OD2_GB1_22 CB_GB1_37 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 316 +OD2_GB1_22 CB_GB1_37 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 316 OD2_GB1_22 OD1_GB1_37 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 318 OD2_GB1_22 O_GB1_37 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 321 OD2_GB1_22 H_GB1_38 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 323 -OD2_GB1_22 CA_GB1_38 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 324 +OD2_GB1_22 CA_GB1_38 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 324 OD2_GB1_22 O_GB1_38 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 326 OD2_GB1_22 H_GB1_39 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 328 -OD2_GB1_22 CB_GB1_39 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 330 +OD2_GB1_22 CB_GB1_39 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 330 OD2_GB1_22 CG1_GB1_39 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 331 OD2_GB1_22 CG2_GB1_39 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 332 OD2_GB1_22 O_GB1_39 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 334 OD2_GB1_22 H_GB1_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 336 -OD2_GB1_22 CB_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 338 +OD2_GB1_22 CB_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 338 OD2_GB1_22 OD1_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 340 OD2_GB1_22 OD2_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 341 OD2_GB1_22 O_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 343 OD2_GB1_22 H_GB1_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 345 -OD2_GB1_22 CA_GB1_41 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 346 +OD2_GB1_22 CA_GB1_41 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 346 OD2_GB1_22 O_GB1_41 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 348 OD2_GB1_22 H_GB1_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 350 -OD2_GB1_22 CB_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 352 -OD2_GB1_22 CG_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 353 +OD2_GB1_22 CB_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 352 +OD2_GB1_22 CG_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 353 OD2_GB1_22 OE1_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 355 OD2_GB1_22 OE2_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 356 OD2_GB1_22 O_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 358 OD2_GB1_22 H_GB1_43 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 360 -OD2_GB1_22 CB_GB1_43 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 362 +OD2_GB1_22 CB_GB1_43 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 362 OD2_GB1_22 O_GB1_43 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 373 OD2_GB1_22 H_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 375 -OD2_GB1_22 CB_GB1_44 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 377 +OD2_GB1_22 CB_GB1_44 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 377 OD2_GB1_22 CG2_GB1_44 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 379 OD2_GB1_22 O_GB1_44 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 381 OD2_GB1_22 H_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 383 -OD2_GB1_22 CB_GB1_45 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 385 +OD2_GB1_22 CB_GB1_45 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 385 OD2_GB1_22 O_GB1_45 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 394 OD2_GB1_22 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 396 -OD2_GB1_22 CB_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 398 +OD2_GB1_22 CB_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 398 OD2_GB1_22 OD1_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 400 OD2_GB1_22 OD2_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 401 OD2_GB1_22 O_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 403 OD2_GB1_22 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 405 -OD2_GB1_22 CB_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 407 +OD2_GB1_22 CB_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 407 OD2_GB1_22 OD1_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 409 OD2_GB1_22 OD2_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 410 OD2_GB1_22 O_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 412 @@ -27914,119 +27914,119 @@ OD2_GB1_22 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e- OD2_GB1_22 CB_GB1_48 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 416 OD2_GB1_22 O_GB1_48 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 418 OD2_GB1_22 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 420 -OD2_GB1_22 CB_GB1_49 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 422 +OD2_GB1_22 CB_GB1_49 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 422 OD2_GB1_22 CG2_GB1_49 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 424 OD2_GB1_22 O_GB1_49 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 426 OD2_GB1_22 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 428 -OD2_GB1_22 CB_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 430 -OD2_GB1_22 CG_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 431 -OD2_GB1_22 CD_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 432 -OD2_GB1_22 CE_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 433 +OD2_GB1_22 CB_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 430 +OD2_GB1_22 CG_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 431 +OD2_GB1_22 CD_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 432 +OD2_GB1_22 CE_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 433 OD2_GB1_22 O_GB1_50 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 436 OD2_GB1_22 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 438 -OD2_GB1_22 CB_GB1_51 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 440 +OD2_GB1_22 CB_GB1_51 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 440 OD2_GB1_22 CG2_GB1_51 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 442 OD2_GB1_22 O_GB1_51 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 444 OD2_GB1_22 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 446 -OD2_GB1_22 CB_GB1_52 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 448 +OD2_GB1_22 CB_GB1_52 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 448 OD2_GB1_22 O_GB1_52 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 456 OD2_GB1_22 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 458 -OD2_GB1_22 CB_GB1_53 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 460 +OD2_GB1_22 CB_GB1_53 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 460 OD2_GB1_22 CG2_GB1_53 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 462 OD2_GB1_22 O_GB1_53 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 464 OD2_GB1_22 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 466 -OD2_GB1_22 CB_GB1_54 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 468 +OD2_GB1_22 CB_GB1_54 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 468 OD2_GB1_22 CG1_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 469 OD2_GB1_22 CG2_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 470 OD2_GB1_22 O_GB1_54 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 472 OD2_GB1_22 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 474 -OD2_GB1_22 CB_GB1_55 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 476 +OD2_GB1_22 CB_GB1_55 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 476 OD2_GB1_22 CG2_GB1_55 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 478 OD2_GB1_22 O_GB1_55 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 480 OD2_GB1_22 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 482 -OD2_GB1_22 CB_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 484 -OD2_GB1_22 CG_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 485 +OD2_GB1_22 CB_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 484 +OD2_GB1_22 CG_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 485 OD2_GB1_22 OE1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 487 OD2_GB1_22 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 488 OD2_GB1_22 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 490 OD2_GB1_22 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 187 491 - C_GB1_22 CB_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 193 - C_GB1_22 O_GB1_23 1 0.000000e+00 6.599866e-07 ; 2.721383e-01 -6.599866e-07 9.988504e-01 7.969547e-01 0.004395 0.001132 True md_ensemble 4 188 195 - C_GB1_22 N_GB1_24 1 0.000000e+00 1.451286e-06 ; 2.906081e-01 -1.451286e-06 9.999956e-01 9.622916e-01 0.004395 0.001132 True md_ensemble 4 188 196 - C_GB1_22 CA_GB1_24 1 0.000000e+00 1.117869e-05 ; 3.445040e-01 -1.117869e-05 1.000000e+00 8.564825e-01 0.004395 0.001132 True md_ensemble 5 188 198 - C_GB1_22 CB_GB1_24 1 0.000000e+00 3.266013e-06 ; 3.109304e-01 -3.266013e-06 5.755585e-01 2.666150e-01 0.004395 0.001132 True md_ensemble 6 188 199 + C_GB1_22 CB_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 193 + C_GB1_22 O_GB1_23 1 0.000000e+00 6.599836e-07 ; 2.721382e-01 -6.599836e-07 9.988504e-01 7.969547e-01 0.004395 0.001132 True md_ensemble 4 188 195 + C_GB1_22 N_GB1_24 1 0.000000e+00 1.451265e-06 ; 2.906078e-01 -1.451265e-06 9.999956e-01 9.622916e-01 0.004395 0.001132 True md_ensemble 4 188 196 + C_GB1_22 CA_GB1_24 1 0.000000e+00 1.117864e-05 ; 3.445038e-01 -1.117864e-05 1.000000e+00 8.564825e-01 0.004395 0.001132 True md_ensemble 5 188 198 + C_GB1_22 CB_GB1_24 1 0.000000e+00 3.265970e-06 ; 3.109300e-01 -3.265970e-06 5.755585e-01 2.666150e-01 0.004395 0.001132 True md_ensemble 6 188 199 C_GB1_22 C_GB1_24 1 1.677332e-03 8.055636e-06 ; 4.107524e-01 8.731288e-02 9.515716e-01 1.751636e-01 0.004395 0.001132 True md_ensemble 6 188 200 C_GB1_22 N_GB1_25 1 1.125402e-03 1.670270e-06 ; 3.377379e-01 1.895697e-01 9.996838e-01 2.595463e-01 0.004395 0.011584 True md_ensemble 7 188 202 C_GB1_22 CA_GB1_25 1 3.288185e-03 1.539727e-05 ; 4.090232e-01 1.755532e-01 9.997086e-01 2.493921e-01 0.004395 0.008482 True md_ensemble 7 188 204 C_GB1_22 CB_GB1_25 1 1.048007e-03 3.749087e-06 ; 3.910751e-01 7.323911e-02 9.990421e-01 2.415788e-01 0.004395 0.001132 True md_ensemble 7 188 205 C_GB1_22 OG1_GB1_25 1 1.347514e-03 2.699983e-06 ; 3.550623e-01 1.681302e-01 3.684909e-01 1.449634e-01 0.004395 0.011584 True md_ensemble 7 188 206 - C_GB1_22 CG2_GB1_25 1 0.000000e+00 5.065755e-06 ; 3.225141e-01 -5.065755e-06 2.886651e-02 1.007309e-01 0.004395 0.001132 True md_ensemble 7 188 207 + C_GB1_22 CG2_GB1_25 1 0.000000e+00 5.065689e-06 ; 3.225137e-01 -5.065689e-06 2.886651e-02 1.007309e-01 0.004395 0.001132 True md_ensemble 7 188 207 C_GB1_22 C_GB1_25 1 6.504698e-03 4.022073e-05 ; 4.284207e-01 2.629931e-01 4.516198e-01 2.825170e-02 0.004395 0.011584 True md_ensemble 7 188 208 C_GB1_22 N_GB1_26 1 2.899126e-03 7.550069e-06 ; 3.709203e-01 2.783064e-01 9.543286e-01 4.436766e-02 0.004395 0.011584 True md_ensemble 7 188 210 C_GB1_22 CA_GB1_26 1 8.333507e-03 7.191354e-05 ; 4.528946e-01 2.414265e-01 9.441760e-01 6.569648e-02 0.004395 0.008482 True md_ensemble 7 188 212 C_GB1_22 CB_GB1_26 1 2.306574e-03 1.011355e-05 ; 4.045660e-01 1.315137e-01 9.140414e-01 7.143105e-02 0.004395 0.001132 True md_ensemble 7 188 213 - C_GB1_22 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 219 - C_GB1_22 CG_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 220 - C_GB1_22 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 229 - C_GB1_22 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 230 - C_GB1_22 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 231 - C_GB1_22 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 232 - C_GB1_22 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 239 - C_GB1_22 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 240 - C_GB1_22 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 241 - C_GB1_22 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 247 - C_GB1_22 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 259 - C_GB1_22 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 260 - C_GB1_22 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 261 - C_GB1_22 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 262 - C_GB1_22 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 269 - C_GB1_22 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 270 - C_GB1_22 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 279 - C_GB1_22 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 292 - C_GB1_22 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 298 - C_GB1_22 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 307 - C_GB1_22 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 316 - C_GB1_22 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 324 - C_GB1_22 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 330 - C_GB1_22 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 331 - C_GB1_22 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 332 - C_GB1_22 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 338 - C_GB1_22 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 346 - C_GB1_22 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 352 - C_GB1_22 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 353 - C_GB1_22 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 362 - C_GB1_22 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 377 - C_GB1_22 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 379 - C_GB1_22 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 385 - C_GB1_22 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 398 - C_GB1_22 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 407 - C_GB1_22 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 416 - C_GB1_22 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 422 - C_GB1_22 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 424 - C_GB1_22 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 430 - C_GB1_22 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 431 - C_GB1_22 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 432 - C_GB1_22 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 433 - C_GB1_22 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 440 - C_GB1_22 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 442 - C_GB1_22 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 448 - C_GB1_22 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 460 - C_GB1_22 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 462 - C_GB1_22 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 468 - C_GB1_22 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 469 - C_GB1_22 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 470 - C_GB1_22 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 476 - C_GB1_22 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 478 - C_GB1_22 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 484 - C_GB1_22 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 485 + C_GB1_22 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 219 + C_GB1_22 CG_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 220 + C_GB1_22 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 229 + C_GB1_22 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 230 + C_GB1_22 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 231 + C_GB1_22 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 232 + C_GB1_22 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 239 + C_GB1_22 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 240 + C_GB1_22 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 241 + C_GB1_22 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 247 + C_GB1_22 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 259 + C_GB1_22 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 260 + C_GB1_22 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 261 + C_GB1_22 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 262 + C_GB1_22 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 269 + C_GB1_22 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 270 + C_GB1_22 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 279 + C_GB1_22 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 292 + C_GB1_22 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 298 + C_GB1_22 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 307 + C_GB1_22 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 316 + C_GB1_22 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 324 + C_GB1_22 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 330 + C_GB1_22 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 331 + C_GB1_22 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 332 + C_GB1_22 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 338 + C_GB1_22 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 346 + C_GB1_22 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 352 + C_GB1_22 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 353 + C_GB1_22 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 362 + C_GB1_22 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 377 + C_GB1_22 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 379 + C_GB1_22 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 385 + C_GB1_22 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 398 + C_GB1_22 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 407 + C_GB1_22 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 416 + C_GB1_22 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 422 + C_GB1_22 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 424 + C_GB1_22 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 430 + C_GB1_22 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 431 + C_GB1_22 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 432 + C_GB1_22 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 433 + C_GB1_22 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 440 + C_GB1_22 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 442 + C_GB1_22 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 448 + C_GB1_22 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 460 + C_GB1_22 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 462 + C_GB1_22 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 468 + C_GB1_22 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 469 + C_GB1_22 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 470 + C_GB1_22 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 476 + C_GB1_22 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 478 + C_GB1_22 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 484 + C_GB1_22 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 188 485 O_GB1_22 O_GB1_22 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 189 189 O_GB1_22 H_GB1_23 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 189 191 O_GB1_22 CB_GB1_23 1 0.000000e+00 1.503455e-06 ; 2.914646e-01 -1.503455e-06 9.999988e-01 9.996418e-01 0.004395 0.001132 True md_ensemble 4 189 193 - O_GB1_22 C_GB1_23 1 0.000000e+00 8.175876e-07 ; 2.770381e-01 -8.175876e-07 1.000000e+00 9.886869e-01 0.004395 0.001132 True md_ensemble 4 189 194 + O_GB1_22 C_GB1_23 1 0.000000e+00 8.175838e-07 ; 2.770380e-01 -8.175838e-07 1.000000e+00 9.886869e-01 0.004395 0.001132 True md_ensemble 4 189 194 O_GB1_22 O_GB1_23 1 0.000000e+00 1.118745e-06 ; 2.843736e-01 -1.118745e-06 9.999784e-01 7.458087e-01 0.004395 0.001132 True md_ensemble 5 189 195 O_GB1_22 N_GB1_24 1 0.000000e+00 1.271220e-06 ; 2.874176e-01 -1.271220e-06 9.999952e-01 8.474749e-01 0.004395 0.001132 True md_ensemble 5 189 196 - O_GB1_22 H_GB1_24 1 0.000000e+00 1.637040e-08 ; 1.999862e-01 -1.637040e-08 1.832573e-01 2.383093e-01 0.004395 0.001132 True md_ensemble 6 189 197 - O_GB1_22 CA_GB1_24 1 0.000000e+00 2.531583e-06 ; 3.043998e-01 -2.531583e-06 9.980669e-01 6.075736e-01 0.004395 0.001132 True md_ensemble 6 189 198 + O_GB1_22 H_GB1_24 1 0.000000e+00 1.637066e-08 ; 1.999864e-01 -1.637066e-08 1.832573e-01 2.383093e-01 0.004395 0.001132 True md_ensemble 6 189 197 + O_GB1_22 CA_GB1_24 1 0.000000e+00 2.531603e-06 ; 3.044000e-01 -2.531603e-06 9.980669e-01 6.075736e-01 0.004395 0.001132 True md_ensemble 6 189 198 O_GB1_22 CB_GB1_24 1 0.000000e+00 1.632110e-06 ; 2.934658e-01 -1.632110e-06 1.653778e-02 1.017233e-01 0.004395 0.007862 True md_ensemble 7 189 199 O_GB1_22 C_GB1_24 1 2.028301e-03 4.606671e-06 ; 3.625566e-01 2.232635e-01 8.664540e-01 1.170759e-01 0.004395 0.011584 True md_ensemble 7 189 200 O_GB1_22 O_GB1_24 1 0.000000e+00 1.609494e-06 ; 2.931247e-01 -1.609494e-06 9.226645e-03 8.222279e-02 0.004395 0.001132 True md_ensemble 7 189 201 @@ -28176,105 +28176,105 @@ OD2_GB1_22 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- O_GB1_22 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 189 488 O_GB1_22 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 189 490 O_GB1_22 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 189 491 - N_GB1_23 CB_GB1_23 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 193 - N_GB1_23 CA_GB1_24 1 0.000000e+00 7.574486e-06 ; 3.335092e-01 -7.574486e-06 1.000000e+00 9.999328e-01 0.004395 0.001132 True md_ensemble 4 190 198 - N_GB1_23 CB_GB1_24 1 0.000000e+00 2.006491e-06 ; 2.985599e-01 -2.006491e-06 6.777257e-01 4.092404e-01 0.004395 0.001132 True md_ensemble 5 190 199 + N_GB1_23 CB_GB1_23 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 193 + N_GB1_23 CA_GB1_24 1 0.000000e+00 7.574474e-06 ; 3.335091e-01 -7.574474e-06 1.000000e+00 9.999328e-01 0.004395 0.001132 True md_ensemble 4 190 198 + N_GB1_23 CB_GB1_24 1 0.000000e+00 2.006472e-06 ; 2.985596e-01 -2.006472e-06 6.777257e-01 4.092404e-01 0.004395 0.001132 True md_ensemble 5 190 199 N_GB1_23 C_GB1_24 1 1.925693e-03 9.515154e-06 ; 4.127035e-01 9.743123e-02 3.959747e-01 5.990924e-02 0.004395 0.001132 True md_ensemble 5 190 200 N_GB1_23 O_GB1_24 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 0.000000e+00 7.216958e-02 0.004395 0.001132 True md_ensemble 6 190 201 N_GB1_23 N_GB1_25 1 1.243385e-03 3.659267e-06 ; 3.785571e-01 1.056227e-01 8.215860e-01 1.060533e-01 0.004395 0.001132 True md_ensemble 6 190 202 N_GB1_23 CA_GB1_25 1 1.037364e-02 1.077877e-04 ; 4.671321e-01 2.495935e-01 6.037694e-01 3.586030e-02 0.004395 0.008482 True md_ensemble 7 190 204 N_GB1_23 CB_GB1_25 1 5.207205e-03 5.507683e-05 ; 4.685192e-01 1.230780e-01 3.526258e-01 3.245238e-02 0.004395 0.001132 True md_ensemble 7 190 205 - N_GB1_23 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 207 + N_GB1_23 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 207 N_GB1_23 N_GB1_26 1 2.528851e-03 9.738467e-06 ; 3.959083e-01 1.641708e-01 5.018208e-02 2.082396e-03 0.004395 0.001132 True md_ensemble 7 190 210 N_GB1_23 CA_GB1_26 1 1.087843e-02 1.194230e-04 ; 4.714333e-01 2.477335e-01 2.488305e-01 1.532160e-02 0.004395 0.008482 True md_ensemble 7 190 212 N_GB1_23 CB_GB1_26 1 2.936326e-03 1.589770e-05 ; 4.190396e-01 1.355858e-01 5.469181e-01 3.949704e-02 0.004395 0.001132 True md_ensemble 7 190 213 N_GB1_23 N_GB1_27 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 6.109066e-05 0.004395 0.001132 True md_ensemble 7 190 216 - N_GB1_23 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 219 - N_GB1_23 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 220 + N_GB1_23 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 219 + N_GB1_23 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 220 N_GB1_23 N_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 190 226 - N_GB1_23 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 229 - N_GB1_23 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 230 - N_GB1_23 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 231 - N_GB1_23 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 232 + N_GB1_23 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 229 + N_GB1_23 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 230 + N_GB1_23 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 231 + N_GB1_23 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 232 N_GB1_23 NZ_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 6.890502e-04 0.004395 0.001132 True md_ensemble 7 190 233 N_GB1_23 N_GB1_29 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 190 236 - N_GB1_23 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 239 - N_GB1_23 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 240 - N_GB1_23 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 241 + N_GB1_23 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 239 + N_GB1_23 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 240 + N_GB1_23 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 241 N_GB1_23 N_GB1_30 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 190 244 - N_GB1_23 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 247 + N_GB1_23 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 247 N_GB1_23 N_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 190 256 - N_GB1_23 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 259 - N_GB1_23 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 260 - N_GB1_23 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 261 - N_GB1_23 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 262 + N_GB1_23 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 259 + N_GB1_23 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 260 + N_GB1_23 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 261 + N_GB1_23 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 262 N_GB1_23 NZ_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 5.572820e-04 0.004395 0.001132 True md_ensemble 7 190 263 N_GB1_23 N_GB1_32 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 190 266 - N_GB1_23 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 269 - N_GB1_23 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 270 + N_GB1_23 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 269 + N_GB1_23 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 270 N_GB1_23 N_GB1_33 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 190 276 - N_GB1_23 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 279 + N_GB1_23 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 279 N_GB1_23 N_GB1_34 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 190 289 - N_GB1_23 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 292 + N_GB1_23 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 292 N_GB1_23 N_GB1_35 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 190 295 - N_GB1_23 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 298 + N_GB1_23 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 298 N_GB1_23 N_GB1_36 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 190 304 - N_GB1_23 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 307 + N_GB1_23 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 307 N_GB1_23 N_GB1_37 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 190 313 - N_GB1_23 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 316 + N_GB1_23 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 316 N_GB1_23 N_GB1_38 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 190 322 - N_GB1_23 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 324 + N_GB1_23 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 324 N_GB1_23 N_GB1_39 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.080620e-05 0.004395 0.001132 True md_ensemble 7 190 327 - N_GB1_23 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 330 - N_GB1_23 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 331 - N_GB1_23 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 332 + N_GB1_23 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 330 + N_GB1_23 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 331 + N_GB1_23 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 332 N_GB1_23 N_GB1_40 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 190 335 - N_GB1_23 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 338 + N_GB1_23 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 338 N_GB1_23 N_GB1_41 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 190 344 - N_GB1_23 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 346 + N_GB1_23 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 346 N_GB1_23 N_GB1_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 190 349 - N_GB1_23 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 352 - N_GB1_23 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 353 + N_GB1_23 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 352 + N_GB1_23 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 353 N_GB1_23 N_GB1_43 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 190 359 - N_GB1_23 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 362 + N_GB1_23 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 362 N_GB1_23 N_GB1_44 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 190 374 - N_GB1_23 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 377 - N_GB1_23 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 379 + N_GB1_23 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 377 + N_GB1_23 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 379 N_GB1_23 N_GB1_45 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 190 382 - N_GB1_23 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 385 + N_GB1_23 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 385 N_GB1_23 N_GB1_46 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 190 395 - N_GB1_23 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 398 + N_GB1_23 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 398 N_GB1_23 N_GB1_47 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 190 404 - N_GB1_23 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 407 + N_GB1_23 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 407 N_GB1_23 N_GB1_48 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 190 413 - N_GB1_23 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 416 + N_GB1_23 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 416 N_GB1_23 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 190 419 - N_GB1_23 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 422 - N_GB1_23 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 424 + N_GB1_23 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 422 + N_GB1_23 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 424 N_GB1_23 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 190 427 - N_GB1_23 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 430 - N_GB1_23 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 431 - N_GB1_23 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 432 - N_GB1_23 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 433 + N_GB1_23 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 430 + N_GB1_23 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 431 + N_GB1_23 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 432 + N_GB1_23 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 433 N_GB1_23 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 190 434 N_GB1_23 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 190 437 - N_GB1_23 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 440 - N_GB1_23 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 442 + N_GB1_23 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 440 + N_GB1_23 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 442 N_GB1_23 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 190 445 - N_GB1_23 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 448 + N_GB1_23 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 448 N_GB1_23 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 190 457 - N_GB1_23 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 460 - N_GB1_23 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 462 + N_GB1_23 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 460 + N_GB1_23 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 462 N_GB1_23 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 190 465 - N_GB1_23 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 468 - N_GB1_23 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 469 - N_GB1_23 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 470 + N_GB1_23 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 468 + N_GB1_23 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 469 + N_GB1_23 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 470 N_GB1_23 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 190 473 - N_GB1_23 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 476 - N_GB1_23 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 478 + N_GB1_23 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 476 + N_GB1_23 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 478 N_GB1_23 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 190 481 - N_GB1_23 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 484 - N_GB1_23 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 485 + N_GB1_23 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 484 + N_GB1_23 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 190 485 H_GB1_23 H_GB1_23 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 191 191 H_GB1_23 O_GB1_23 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 191 195 H_GB1_23 H_GB1_24 1 0.000000e+00 7.653362e-09 ; 1.877080e-01 -7.653362e-09 9.776666e-01 6.154468e-01 0.004395 0.001132 True md_ensemble 5 191 197 @@ -28369,13 +28369,13 @@ OD2_GB1_22 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- H_GB1_23 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 191 488 H_GB1_23 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 191 490 H_GB1_23 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 191 491 - CA_GB1_23 CB_GB1_24 1 0.000000e+00 2.373791e-05 ; 3.668162e-01 -2.373791e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 192 199 - CA_GB1_23 C_GB1_24 1 0.000000e+00 1.305194e-05 ; 3.489806e-01 -1.305194e-05 9.999946e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 192 200 - CA_GB1_23 O_GB1_24 1 0.000000e+00 5.037307e-06 ; 3.223628e-01 -5.037307e-06 3.117662e-02 2.439643e-01 0.004395 0.001132 True md_ensemble 5 192 201 - CA_GB1_23 N_GB1_25 1 0.000000e+00 6.029759e-06 ; 3.272302e-01 -6.029759e-06 9.999931e-01 7.960014e-01 0.004395 0.001132 True md_ensemble 5 192 202 - CA_GB1_23 CA_GB1_25 1 0.000000e+00 5.105050e-05 ; 3.909864e-01 -5.105050e-05 9.999913e-01 7.787256e-01 0.004395 0.001132 True md_ensemble 6 192 204 + CA_GB1_23 CB_GB1_24 1 0.000000e+00 2.373790e-05 ; 3.668162e-01 -2.373790e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 192 199 + CA_GB1_23 C_GB1_24 1 0.000000e+00 1.305187e-05 ; 3.489804e-01 -1.305187e-05 9.999946e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 192 200 + CA_GB1_23 O_GB1_24 1 0.000000e+00 5.037347e-06 ; 3.223630e-01 -5.037347e-06 3.117662e-02 2.439643e-01 0.004395 0.001132 True md_ensemble 5 192 201 + CA_GB1_23 N_GB1_25 1 0.000000e+00 6.029749e-06 ; 3.272301e-01 -6.029749e-06 9.999931e-01 7.960014e-01 0.004395 0.001132 True md_ensemble 5 192 202 + CA_GB1_23 CA_GB1_25 1 0.000000e+00 5.105088e-05 ; 3.909867e-01 -5.105088e-05 9.999913e-01 7.787256e-01 0.004395 0.001132 True md_ensemble 6 192 204 CA_GB1_23 CB_GB1_25 1 9.902592e-03 2.003744e-04 ; 5.220141e-01 1.223476e-01 9.899237e-01 5.288039e-01 0.004395 0.006476 True md_ensemble 7 192 205 - CA_GB1_23 OG1_GB1_25 1 0.000000e+00 6.720933e-06 ; 3.302028e-01 -6.720933e-06 4.782370e-03 1.765466e-01 0.004395 0.008483 True md_ensemble 7 192 206 + CA_GB1_23 OG1_GB1_25 1 0.000000e+00 6.720910e-06 ; 3.302027e-01 -6.720910e-06 4.782370e-03 1.765466e-01 0.004395 0.008483 True md_ensemble 7 192 206 CA_GB1_23 C_GB1_25 1 8.905857e-03 1.063242e-04 ; 4.780714e-01 1.864916e-01 9.007572e-01 1.817766e-01 0.004395 0.008482 True md_ensemble 7 192 208 CA_GB1_23 N_GB1_26 1 2.438224e-03 8.576053e-06 ; 3.899740e-01 1.733005e-01 1.000000e+00 2.606008e-01 0.004395 0.008482 True md_ensemble 7 192 210 CA_GB1_23 CA_GB1_26 1 4.063461e-03 2.802514e-05 ; 4.362900e-01 1.472938e-01 9.999936e-01 3.293776e-01 0.004395 0.006476 True md_ensemble 7 192 212 @@ -28384,7 +28384,7 @@ OD2_GB1_22 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- CA_GB1_23 N_GB1_27 1 8.922946e-03 6.992494e-05 ; 4.456774e-01 2.846587e-01 9.484510e-01 2.854830e-02 0.004395 0.008482 True md_ensemble 7 192 216 CA_GB1_23 CA_GB1_27 1 2.306251e-02 5.543122e-04 ; 5.372066e-01 2.398825e-01 9.666950e-01 5.291476e-02 0.004395 0.006476 True md_ensemble 7 192 218 CA_GB1_23 CB_GB1_27 1 1.719056e-02 2.913292e-04 ; 5.068145e-01 2.535923e-01 9.158604e-01 4.223335e-02 0.004395 0.007117 True md_ensemble 7 192 219 - CA_GB1_23 CG_GB1_27 1 0.000000e+00 3.281593e-05 ; 3.768502e-01 -3.281593e-05 3.128551e-02 6.279015e-02 0.004395 0.007117 True md_ensemble 7 192 220 + CA_GB1_23 CG_GB1_27 1 0.000000e+00 3.281579e-05 ; 3.768500e-01 -3.281579e-05 3.128551e-02 6.279015e-02 0.004395 0.007117 True md_ensemble 7 192 220 CA_GB1_23 CD1_GB1_45 1 6.907289e-03 9.763493e-05 ; 4.917182e-01 1.221659e-01 1.208087e-02 7.501010e-04 0.004395 0.010759 True md_ensemble 7 192 387 CA_GB1_23 CD2_GB1_45 1 6.907289e-03 9.763493e-05 ; 4.917182e-01 1.221659e-01 1.208087e-02 7.501010e-04 0.004395 0.010759 True md_ensemble 7 192 388 CA_GB1_23 CE1_GB1_45 1 1.334120e-02 1.513124e-04 ; 4.740018e-01 2.940729e-01 3.382260e-01 1.241289e-03 0.004395 0.010759 True md_ensemble 7 192 389 @@ -28396,104 +28396,104 @@ OD2_GB1_22 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- CA_GB1_23 CE1_GB1_52 1 9.388432e-03 6.433458e-05 ; 4.358214e-01 3.425166e-01 8.649782e-01 4.384557e-04 0.004395 0.010759 True md_ensemble 7 192 452 CA_GB1_23 CE2_GB1_52 1 9.388432e-03 6.433458e-05 ; 4.358214e-01 3.425166e-01 8.649782e-01 4.384557e-04 0.004395 0.010759 True md_ensemble 7 192 453 CA_GB1_23 CZ_GB1_52 1 6.136138e-03 2.704206e-05 ; 4.049090e-01 3.480892e-01 9.636394e-01 6.110941e-04 0.004395 0.010759 True md_ensemble 7 192 454 - CB_GB1_23 C_GB1_23 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 194 + CB_GB1_23 C_GB1_23 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 194 CB_GB1_23 O_GB1_23 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 195 - CB_GB1_23 N_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 196 - CB_GB1_23 CA_GB1_24 1 0.000000e+00 2.373791e-05 ; 3.668162e-01 -2.373791e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 193 198 - CB_GB1_23 CB_GB1_24 1 0.000000e+00 7.191247e-06 ; 3.320693e-01 -7.191247e-06 4.884324e-01 3.250556e-01 0.004395 0.001132 True md_ensemble 5 193 199 - CB_GB1_23 C_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 200 + CB_GB1_23 N_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 196 + CB_GB1_23 CA_GB1_24 1 0.000000e+00 2.373790e-05 ; 3.668162e-01 -2.373790e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 193 198 + CB_GB1_23 CB_GB1_24 1 0.000000e+00 7.191186e-06 ; 3.320690e-01 -7.191186e-06 4.884324e-01 3.250556e-01 0.004395 0.001132 True md_ensemble 5 193 199 + CB_GB1_23 C_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 200 CB_GB1_23 O_GB1_24 1 0.000000e+00 1.503992e-06 ; 2.914733e-01 -1.503992e-06 0.000000e+00 3.424118e-02 0.004395 0.001132 True md_ensemble 6 193 201 - CB_GB1_23 N_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 202 - CB_GB1_23 OG1_GB1_25 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 206 - CB_GB1_23 C_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 208 + CB_GB1_23 N_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 202 + CB_GB1_23 OG1_GB1_25 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 206 + CB_GB1_23 C_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 208 CB_GB1_23 O_GB1_25 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 209 - CB_GB1_23 N_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 210 + CB_GB1_23 N_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 210 CB_GB1_23 CA_GB1_26 1 9.664345e-03 1.910773e-04 ; 5.200033e-01 1.222013e-01 1.434879e-01 1.276959e-01 0.004395 0.010759 True md_ensemble 7 193 212 CB_GB1_23 CB_GB1_26 1 8.074471e-03 7.295708e-05 ; 4.563789e-01 2.234090e-01 5.754129e-01 1.386603e-01 0.004395 0.020717 True md_ensemble 7 193 213 - CB_GB1_23 C_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 214 + CB_GB1_23 C_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 214 CB_GB1_23 O_GB1_26 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 215 - CB_GB1_23 N_GB1_27 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 216 + CB_GB1_23 N_GB1_27 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 216 CB_GB1_23 CB_GB1_27 1 4.724206e-03 6.699210e-05 ; 4.919819e-01 8.328642e-02 9.223287e-03 1.971030e-02 0.004395 0.012151 True md_ensemble 7 193 219 - CB_GB1_23 CD_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 221 + CB_GB1_23 CD_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 221 CB_GB1_23 OE1_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 222 CB_GB1_23 OE2_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 223 - CB_GB1_23 C_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 224 + CB_GB1_23 C_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 224 CB_GB1_23 O_GB1_27 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 225 - CB_GB1_23 N_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 226 - CB_GB1_23 NZ_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 233 - CB_GB1_23 C_GB1_28 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 234 + CB_GB1_23 N_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 226 + CB_GB1_23 NZ_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 233 + CB_GB1_23 C_GB1_28 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 234 CB_GB1_23 O_GB1_28 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 235 - CB_GB1_23 N_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 236 - CB_GB1_23 C_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 242 + CB_GB1_23 N_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 236 + CB_GB1_23 C_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 242 CB_GB1_23 O_GB1_29 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 243 - CB_GB1_23 N_GB1_30 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 244 - CB_GB1_23 C_GB1_30 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 254 + CB_GB1_23 N_GB1_30 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 244 + CB_GB1_23 C_GB1_30 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 254 CB_GB1_23 O_GB1_30 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 255 - CB_GB1_23 N_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 256 - CB_GB1_23 NZ_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 263 - CB_GB1_23 C_GB1_31 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 264 + CB_GB1_23 N_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 256 + CB_GB1_23 NZ_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 263 + CB_GB1_23 C_GB1_31 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 264 CB_GB1_23 O_GB1_31 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 265 - CB_GB1_23 N_GB1_32 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 266 - CB_GB1_23 CD_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 271 + CB_GB1_23 N_GB1_32 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 266 + CB_GB1_23 CD_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 271 CB_GB1_23 OE1_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 272 - CB_GB1_23 NE2_GB1_32 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 273 - CB_GB1_23 C_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 274 + CB_GB1_23 NE2_GB1_32 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 273 + CB_GB1_23 C_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 274 CB_GB1_23 O_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 275 - CB_GB1_23 N_GB1_33 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 276 - CB_GB1_23 OH_GB1_33 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 286 - CB_GB1_23 C_GB1_33 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 287 + CB_GB1_23 N_GB1_33 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 276 + CB_GB1_23 OH_GB1_33 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 286 + CB_GB1_23 C_GB1_33 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 287 CB_GB1_23 O_GB1_33 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 288 - CB_GB1_23 N_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 289 - CB_GB1_23 C_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 293 + CB_GB1_23 N_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 289 + CB_GB1_23 C_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 293 CB_GB1_23 O_GB1_34 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 294 - CB_GB1_23 N_GB1_35 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 295 - CB_GB1_23 CG_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 299 + CB_GB1_23 N_GB1_35 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 295 + CB_GB1_23 CG_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 299 CB_GB1_23 OD1_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 300 - CB_GB1_23 ND2_GB1_35 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 301 - CB_GB1_23 C_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 302 + CB_GB1_23 ND2_GB1_35 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 301 + CB_GB1_23 C_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 302 CB_GB1_23 O_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 303 - CB_GB1_23 N_GB1_36 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 304 - CB_GB1_23 CG_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 308 + CB_GB1_23 N_GB1_36 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 304 + CB_GB1_23 CG_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 308 CB_GB1_23 OD1_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 309 CB_GB1_23 OD2_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 310 - CB_GB1_23 C_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 311 + CB_GB1_23 C_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 311 CB_GB1_23 O_GB1_36 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 312 - CB_GB1_23 N_GB1_37 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 313 - CB_GB1_23 CG_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 317 + CB_GB1_23 N_GB1_37 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 313 + CB_GB1_23 CG_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 317 CB_GB1_23 OD1_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 318 - CB_GB1_23 ND2_GB1_37 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 319 - CB_GB1_23 C_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 320 + CB_GB1_23 ND2_GB1_37 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 319 + CB_GB1_23 C_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 320 CB_GB1_23 O_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 321 - CB_GB1_23 N_GB1_38 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 322 - CB_GB1_23 C_GB1_38 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 325 + CB_GB1_23 N_GB1_38 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 322 + CB_GB1_23 C_GB1_38 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 325 CB_GB1_23 O_GB1_38 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 326 - CB_GB1_23 N_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 327 - CB_GB1_23 C_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 333 + CB_GB1_23 N_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 327 + CB_GB1_23 C_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 333 CB_GB1_23 O_GB1_39 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 334 - CB_GB1_23 N_GB1_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 335 - CB_GB1_23 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 339 + CB_GB1_23 N_GB1_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 335 + CB_GB1_23 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 339 CB_GB1_23 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 340 CB_GB1_23 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 341 - CB_GB1_23 C_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 342 + CB_GB1_23 C_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 342 CB_GB1_23 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 343 - CB_GB1_23 N_GB1_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 344 - CB_GB1_23 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 347 + CB_GB1_23 N_GB1_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 344 + CB_GB1_23 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 347 CB_GB1_23 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 348 - CB_GB1_23 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 349 - CB_GB1_23 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 354 + CB_GB1_23 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 349 + CB_GB1_23 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 354 CB_GB1_23 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 355 CB_GB1_23 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 356 - CB_GB1_23 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 357 + CB_GB1_23 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 357 CB_GB1_23 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 358 - CB_GB1_23 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 359 - CB_GB1_23 NE1_GB1_43 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 366 - CB_GB1_23 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 372 + CB_GB1_23 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 359 + CB_GB1_23 NE1_GB1_43 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 366 + CB_GB1_23 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 372 CB_GB1_23 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 373 - CB_GB1_23 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 374 - CB_GB1_23 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 378 - CB_GB1_23 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 380 + CB_GB1_23 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 374 + CB_GB1_23 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 378 + CB_GB1_23 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 380 CB_GB1_23 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 381 - CB_GB1_23 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 382 + CB_GB1_23 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 382 CB_GB1_23 CG_GB1_45 1 6.128950e-03 4.480945e-05 ; 4.405521e-01 2.095764e-01 6.575337e-02 6.176702e-04 0.004395 0.020719 True md_ensemble 7 193 386 CB_GB1_23 CD1_GB1_45 1 6.393842e-03 3.575273e-05 ; 4.212998e-01 2.858608e-01 2.884547e-01 5.102252e-04 0.004395 0.020719 True md_ensemble 7 193 387 CB_GB1_23 CD2_GB1_45 1 6.393842e-03 3.575273e-05 ; 4.212998e-01 2.858608e-01 2.884547e-01 5.102252e-04 0.004395 0.020719 True md_ensemble 7 193 388 @@ -28501,67 +28501,67 @@ OD2_GB1_22 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- CB_GB1_23 CE2_GB1_45 1 3.125740e-03 7.209570e-06 ; 3.634902e-01 3.387945e-01 8.047707e-01 7.068055e-04 0.004395 0.020719 True md_ensemble 7 193 390 CB_GB1_23 CZ_GB1_45 1 2.383568e-03 4.102736e-06 ; 3.461845e-01 3.461957e-01 9.289138e-01 1.193503e-03 0.004395 0.020719 True md_ensemble 7 193 391 CB_GB1_23 OH_GB1_45 1 1.374765e-03 1.407061e-06 ; 3.174539e-01 3.358027e-01 9.169768e-01 1.366406e-03 0.004395 0.001132 True md_ensemble 7 193 392 - CB_GB1_23 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 393 + CB_GB1_23 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 393 CB_GB1_23 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 394 - CB_GB1_23 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 395 - CB_GB1_23 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 399 + CB_GB1_23 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 395 + CB_GB1_23 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 399 CB_GB1_23 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 400 CB_GB1_23 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 401 - CB_GB1_23 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 402 + CB_GB1_23 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 402 CB_GB1_23 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 403 - CB_GB1_23 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 404 - CB_GB1_23 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 408 + CB_GB1_23 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 404 + CB_GB1_23 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 408 CB_GB1_23 OD1_GB1_47 1 1.107328e-03 3.842763e-06 ; 3.891000e-01 7.977166e-02 5.311590e-03 2.210401e-04 0.004395 0.001132 True md_ensemble 7 193 409 CB_GB1_23 OD2_GB1_47 1 1.107328e-03 3.842763e-06 ; 3.891000e-01 7.977166e-02 5.311590e-03 2.210401e-04 0.004395 0.001132 True md_ensemble 7 193 410 - CB_GB1_23 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 411 + CB_GB1_23 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 411 CB_GB1_23 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 412 - CB_GB1_23 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 413 - CB_GB1_23 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 417 + CB_GB1_23 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 413 + CB_GB1_23 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 417 CB_GB1_23 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 418 - CB_GB1_23 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 419 - CB_GB1_23 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 423 - CB_GB1_23 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 425 + CB_GB1_23 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 419 + CB_GB1_23 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 423 + CB_GB1_23 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 425 CB_GB1_23 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 426 - CB_GB1_23 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 427 + CB_GB1_23 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 427 CB_GB1_23 CD_GB1_50 1 5.851536e-03 7.171150e-05 ; 4.801606e-01 1.193689e-01 1.144334e-02 8.695478e-04 0.004395 0.012151 True md_ensemble 7 193 432 - CB_GB1_23 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 434 - CB_GB1_23 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 435 + CB_GB1_23 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 434 + CB_GB1_23 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 435 CB_GB1_23 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 436 - CB_GB1_23 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 437 - CB_GB1_23 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 441 - CB_GB1_23 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 443 + CB_GB1_23 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 437 + CB_GB1_23 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 441 + CB_GB1_23 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 443 CB_GB1_23 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 444 - CB_GB1_23 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 445 + CB_GB1_23 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 445 CB_GB1_23 CE1_GB1_52 1 5.654034e-03 2.498130e-05 ; 4.050818e-01 3.199202e-01 5.581994e-01 4.192299e-04 0.004395 0.020719 True md_ensemble 7 193 452 CB_GB1_23 CE2_GB1_52 1 5.654034e-03 2.498130e-05 ; 4.050818e-01 3.199202e-01 5.581994e-01 4.192299e-04 0.004395 0.020719 True md_ensemble 7 193 453 CB_GB1_23 CZ_GB1_52 1 3.938087e-03 1.127410e-05 ; 3.768190e-01 3.438973e-01 8.884387e-01 6.538017e-04 0.004395 0.020719 True md_ensemble 7 193 454 - CB_GB1_23 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 455 + CB_GB1_23 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 455 CB_GB1_23 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 456 - CB_GB1_23 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 457 - CB_GB1_23 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 461 - CB_GB1_23 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 463 + CB_GB1_23 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 457 + CB_GB1_23 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 461 + CB_GB1_23 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 463 CB_GB1_23 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 464 - CB_GB1_23 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 465 - CB_GB1_23 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 471 + CB_GB1_23 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 465 + CB_GB1_23 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 471 CB_GB1_23 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 472 - CB_GB1_23 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 473 - CB_GB1_23 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 477 - CB_GB1_23 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 479 + CB_GB1_23 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 473 + CB_GB1_23 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 477 + CB_GB1_23 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 479 CB_GB1_23 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 480 - CB_GB1_23 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 481 - CB_GB1_23 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 486 + CB_GB1_23 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 481 + CB_GB1_23 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 486 CB_GB1_23 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 487 CB_GB1_23 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 488 - CB_GB1_23 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 489 + CB_GB1_23 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 489 CB_GB1_23 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 490 CB_GB1_23 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 193 491 - C_GB1_23 CB_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 199 - C_GB1_23 O_GB1_24 1 0.000000e+00 6.866273e-07 ; 2.730372e-01 -6.866273e-07 9.987093e-01 8.290294e-01 0.004395 0.001132 True md_ensemble 4 194 201 - C_GB1_23 N_GB1_25 1 0.000000e+00 1.466574e-06 ; 2.908620e-01 -1.466574e-06 1.000000e+00 9.724335e-01 0.004395 0.001132 True md_ensemble 4 194 202 - C_GB1_23 CA_GB1_25 1 0.000000e+00 1.158775e-05 ; 3.455373e-01 -1.158775e-05 1.000000e+00 8.878232e-01 0.004395 0.001132 True md_ensemble 5 194 204 - C_GB1_23 CB_GB1_25 1 0.000000e+00 7.644835e-06 ; 3.337662e-01 -7.644835e-06 9.374377e-01 5.231651e-01 0.004395 0.001132 True md_ensemble 6 194 205 - C_GB1_23 CG2_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 207 - C_GB1_23 C_GB1_25 1 0.000000e+00 8.028651e-07 ; 2.766189e-01 -8.028651e-07 9.824553e-01 2.914195e-01 0.004395 0.001132 True md_ensemble 6 194 208 + C_GB1_23 CB_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 199 + C_GB1_23 O_GB1_24 1 0.000000e+00 6.866241e-07 ; 2.730371e-01 -6.866241e-07 9.987093e-01 8.290294e-01 0.004395 0.001132 True md_ensemble 4 194 201 + C_GB1_23 N_GB1_25 1 0.000000e+00 1.466554e-06 ; 2.908617e-01 -1.466554e-06 1.000000e+00 9.724335e-01 0.004395 0.001132 True md_ensemble 4 194 202 + C_GB1_23 CA_GB1_25 1 0.000000e+00 1.158769e-05 ; 3.455371e-01 -1.158769e-05 1.000000e+00 8.878232e-01 0.004395 0.001132 True md_ensemble 5 194 204 + C_GB1_23 CB_GB1_25 1 0.000000e+00 7.644795e-06 ; 3.337660e-01 -7.644795e-06 9.374377e-01 5.231651e-01 0.004395 0.001132 True md_ensemble 6 194 205 + C_GB1_23 CG2_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 207 + C_GB1_23 C_GB1_25 1 0.000000e+00 8.028509e-07 ; 2.766185e-01 -8.028509e-07 9.824553e-01 2.914195e-01 0.004395 0.001132 True md_ensemble 6 194 208 C_GB1_23 N_GB1_26 1 9.997275e-04 1.367919e-06 ; 3.331934e-01 1.826598e-01 9.999911e-01 2.968354e-01 0.004395 0.011584 True md_ensemble 7 194 210 C_GB1_23 CA_GB1_26 1 2.511220e-03 9.520742e-06 ; 3.948793e-01 1.655918e-01 9.999986e-01 3.025963e-01 0.004395 0.008482 True md_ensemble 7 194 212 C_GB1_23 CB_GB1_26 1 7.437658e-04 1.817601e-06 ; 3.670093e-01 7.608759e-02 9.996484e-01 2.287409e-01 0.004395 0.001132 True md_ensemble 7 194 213 @@ -28569,72 +28569,72 @@ OD2_GB1_22 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- C_GB1_23 N_GB1_27 1 2.313849e-03 4.702980e-06 ; 3.559096e-01 2.846014e-01 9.965410e-01 4.100842e-02 0.004395 0.011584 True md_ensemble 7 194 216 C_GB1_23 CA_GB1_27 1 6.981595e-03 4.800441e-05 ; 4.360682e-01 2.538447e-01 9.952493e-01 5.443580e-02 0.004395 0.008482 True md_ensemble 7 194 218 C_GB1_23 CB_GB1_27 1 2.233555e-03 8.179010e-06 ; 3.926004e-01 1.524869e-01 9.933493e-01 5.169770e-02 0.004395 0.001132 True md_ensemble 7 194 219 - C_GB1_23 CG_GB1_27 1 0.000000e+00 6.316360e-06 ; 3.284989e-01 -6.316360e-06 6.785348e-02 6.507458e-02 0.004395 0.001132 True md_ensemble 7 194 220 + C_GB1_23 CG_GB1_27 1 0.000000e+00 6.316254e-06 ; 3.284984e-01 -6.316254e-06 6.785348e-02 6.507458e-02 0.004395 0.001132 True md_ensemble 7 194 220 C_GB1_23 CD_GB1_27 1 1.651681e-03 9.113652e-06 ; 4.203661e-01 7.483421e-02 1.023860e-02 2.457135e-02 0.004395 0.011584 True md_ensemble 7 194 221 - C_GB1_23 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 229 - C_GB1_23 CG_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 230 - C_GB1_23 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 231 - C_GB1_23 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 232 - C_GB1_23 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 239 - C_GB1_23 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 240 - C_GB1_23 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 241 - C_GB1_23 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 247 - C_GB1_23 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 259 - C_GB1_23 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 260 - C_GB1_23 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 261 - C_GB1_23 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 262 - C_GB1_23 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 269 - C_GB1_23 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 270 - C_GB1_23 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 279 - C_GB1_23 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 292 - C_GB1_23 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 298 - C_GB1_23 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 307 - C_GB1_23 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 316 - C_GB1_23 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 324 - C_GB1_23 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 330 - C_GB1_23 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 331 - C_GB1_23 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 332 - C_GB1_23 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 338 - C_GB1_23 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 346 - C_GB1_23 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 352 - C_GB1_23 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 353 - C_GB1_23 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 362 - C_GB1_23 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 377 - C_GB1_23 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 379 - C_GB1_23 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 385 - C_GB1_23 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 398 - C_GB1_23 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 407 - C_GB1_23 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 416 - C_GB1_23 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 422 - C_GB1_23 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 424 - C_GB1_23 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 430 - C_GB1_23 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 431 - C_GB1_23 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 432 - C_GB1_23 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 433 - C_GB1_23 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 440 - C_GB1_23 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 442 - C_GB1_23 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 448 + C_GB1_23 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 229 + C_GB1_23 CG_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 230 + C_GB1_23 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 231 + C_GB1_23 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 232 + C_GB1_23 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 239 + C_GB1_23 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 240 + C_GB1_23 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 241 + C_GB1_23 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 247 + C_GB1_23 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 259 + C_GB1_23 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 260 + C_GB1_23 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 261 + C_GB1_23 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 262 + C_GB1_23 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 269 + C_GB1_23 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 270 + C_GB1_23 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 279 + C_GB1_23 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 292 + C_GB1_23 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 298 + C_GB1_23 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 307 + C_GB1_23 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 316 + C_GB1_23 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 324 + C_GB1_23 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 330 + C_GB1_23 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 331 + C_GB1_23 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 332 + C_GB1_23 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 338 + C_GB1_23 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 346 + C_GB1_23 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 352 + C_GB1_23 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 353 + C_GB1_23 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 362 + C_GB1_23 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 377 + C_GB1_23 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 379 + C_GB1_23 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 385 + C_GB1_23 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 398 + C_GB1_23 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 407 + C_GB1_23 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 416 + C_GB1_23 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 422 + C_GB1_23 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 424 + C_GB1_23 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 430 + C_GB1_23 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 431 + C_GB1_23 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 432 + C_GB1_23 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 433 + C_GB1_23 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 440 + C_GB1_23 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 442 + C_GB1_23 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 448 C_GB1_23 CE1_GB1_52 1 5.408592e-03 2.615184e-05 ; 4.112157e-01 2.796444e-01 2.557105e-01 0.000000e+00 0.004395 0.015243 True md_ensemble 7 194 452 C_GB1_23 CE2_GB1_52 1 5.408592e-03 2.615184e-05 ; 4.112157e-01 2.796444e-01 2.557105e-01 0.000000e+00 0.004395 0.015243 True md_ensemble 7 194 453 C_GB1_23 CZ_GB1_52 1 4.410742e-03 1.423668e-05 ; 3.844290e-01 3.416289e-01 8.502216e-01 2.839115e-04 0.004395 0.015243 True md_ensemble 7 194 454 - C_GB1_23 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 460 - C_GB1_23 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 462 - C_GB1_23 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 468 - C_GB1_23 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 469 - C_GB1_23 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 470 - C_GB1_23 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 476 - C_GB1_23 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 478 - C_GB1_23 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 484 - C_GB1_23 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 485 + C_GB1_23 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 460 + C_GB1_23 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 462 + C_GB1_23 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 468 + C_GB1_23 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 469 + C_GB1_23 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 470 + C_GB1_23 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 476 + C_GB1_23 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 478 + C_GB1_23 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 484 + C_GB1_23 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 194 485 O_GB1_23 O_GB1_23 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 195 195 O_GB1_23 H_GB1_24 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 195 197 O_GB1_23 CB_GB1_24 1 0.000000e+00 1.503121e-06 ; 2.914592e-01 -1.503121e-06 9.999943e-01 9.994156e-01 0.004395 0.001132 True md_ensemble 4 195 199 - O_GB1_23 C_GB1_24 1 0.000000e+00 8.201334e-07 ; 2.771099e-01 -8.201334e-07 1.000000e+00 9.917655e-01 0.004395 0.001132 True md_ensemble 4 195 200 + O_GB1_23 C_GB1_24 1 0.000000e+00 8.201296e-07 ; 2.771098e-01 -8.201296e-07 1.000000e+00 9.917655e-01 0.004395 0.001132 True md_ensemble 4 195 200 O_GB1_23 O_GB1_24 1 0.000000e+00 1.214820e-06 ; 2.863327e-01 -1.214820e-06 9.999887e-01 8.098688e-01 0.004395 0.001132 True md_ensemble 5 195 201 O_GB1_23 N_GB1_25 1 0.000000e+00 1.330057e-06 ; 2.885034e-01 -1.330057e-06 1.000000e+00 8.867049e-01 0.004395 0.001132 True md_ensemble 5 195 202 - O_GB1_23 H_GB1_25 1 0.000000e+00 1.723148e-08 ; 2.008423e-01 -1.723148e-08 1.293110e-01 2.398588e-01 0.004395 0.001132 True md_ensemble 6 195 203 - O_GB1_23 CA_GB1_25 1 0.000000e+00 2.800534e-06 ; 3.069718e-01 -2.800534e-06 9.914957e-01 6.657555e-01 0.004395 0.001132 True md_ensemble 6 195 204 - O_GB1_23 CB_GB1_25 1 0.000000e+00 4.654854e-06 ; 3.202485e-01 -4.654854e-06 7.024649e-02 1.909543e-01 0.004395 0.007862 True md_ensemble 7 195 205 + O_GB1_23 H_GB1_25 1 0.000000e+00 1.723175e-08 ; 2.008426e-01 -1.723175e-08 1.293110e-01 2.398588e-01 0.004395 0.001132 True md_ensemble 6 195 203 + O_GB1_23 CA_GB1_25 1 0.000000e+00 2.800557e-06 ; 3.069720e-01 -2.800557e-06 9.914957e-01 6.657555e-01 0.004395 0.001132 True md_ensemble 6 195 204 + O_GB1_23 CB_GB1_25 1 0.000000e+00 4.654891e-06 ; 3.202488e-01 -4.654891e-06 7.024649e-02 1.909543e-01 0.004395 0.007862 True md_ensemble 7 195 205 O_GB1_23 CG2_GB1_25 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 195 207 O_GB1_23 C_GB1_25 1 1.769895e-03 3.968142e-06 ; 3.617762e-01 1.973549e-01 8.237536e-01 1.839149e-01 0.004395 0.011584 True md_ensemble 7 195 208 O_GB1_23 O_GB1_25 1 0.000000e+00 1.668631e-06 ; 2.940075e-01 -1.668631e-06 5.169526e-02 1.641157e-01 0.004395 0.001132 True md_ensemble 7 195 209 @@ -28783,11 +28783,11 @@ OD2_GB1_22 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- O_GB1_23 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 195 488 O_GB1_23 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 195 490 O_GB1_23 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 195 491 - N_GB1_24 CB_GB1_24 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 199 - N_GB1_24 CA_GB1_25 1 0.000000e+00 7.574552e-06 ; 3.335094e-01 -7.574552e-06 1.000000e+00 9.999415e-01 0.004395 0.001132 True md_ensemble 4 196 204 - N_GB1_24 CB_GB1_25 1 0.000000e+00 5.690933e-06 ; 3.256569e-01 -5.690933e-06 9.931142e-01 7.443930e-01 0.004395 0.001132 True md_ensemble 5 196 205 + N_GB1_24 CB_GB1_24 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 199 + N_GB1_24 CA_GB1_25 1 0.000000e+00 7.574540e-06 ; 3.335094e-01 -7.574540e-06 1.000000e+00 9.999415e-01 0.004395 0.001132 True md_ensemble 4 196 204 + N_GB1_24 CB_GB1_25 1 0.000000e+00 5.690924e-06 ; 3.256569e-01 -5.690924e-06 9.931142e-01 7.443930e-01 0.004395 0.001132 True md_ensemble 5 196 205 N_GB1_24 OG1_GB1_25 1 0.000000e+00 6.627671e-07 ; 2.722336e-01 -6.627671e-07 7.384650e-04 6.447962e-02 0.004395 0.001132 True md_ensemble 6 196 206 - N_GB1_24 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 207 + N_GB1_24 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 207 N_GB1_24 C_GB1_25 1 1.588192e-03 7.452733e-06 ; 4.091684e-01 8.461172e-02 6.018135e-01 1.167354e-01 0.004395 0.001132 True md_ensemble 5 196 208 N_GB1_24 O_GB1_25 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 0.000000e+00 1.387010e-01 0.004395 0.001132 True md_ensemble 6 196 209 N_GB1_24 N_GB1_26 1 9.577338e-04 2.589222e-06 ; 3.732393e-01 8.856463e-02 9.127602e-01 1.639917e-01 0.004395 0.001132 True md_ensemble 6 196 210 @@ -28796,93 +28796,93 @@ OD2_GB1_22 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- N_GB1_24 N_GB1_27 1 3.530600e-03 1.333900e-05 ; 3.946503e-01 2.336220e-01 1.047932e-01 1.055578e-03 0.004395 0.001132 True md_ensemble 7 196 216 N_GB1_24 CA_GB1_27 1 1.288035e-02 1.400235e-04 ; 4.706654e-01 2.962063e-01 3.525053e-01 4.250890e-03 0.004395 0.008482 True md_ensemble 7 196 218 N_GB1_24 CB_GB1_27 1 4.849120e-03 2.690107e-05 ; 4.207438e-01 2.185225e-01 7.801129e-01 1.128860e-02 0.004395 0.001132 True md_ensemble 7 196 219 - N_GB1_24 CG_GB1_27 1 0.000000e+00 3.604663e-06 ; 3.134972e-01 -3.604663e-06 4.042479e-02 2.099682e-02 0.004395 0.001132 True md_ensemble 7 196 220 + N_GB1_24 CG_GB1_27 1 0.000000e+00 3.604615e-06 ; 3.134969e-01 -3.604615e-06 4.042479e-02 2.099682e-02 0.004395 0.001132 True md_ensemble 7 196 220 N_GB1_24 OE1_GB1_27 1 2.010100e-03 7.072427e-06 ; 3.899945e-01 1.428259e-01 2.226097e-02 1.430188e-02 0.004395 0.011584 True md_ensemble 7 196 222 N_GB1_24 OE2_GB1_27 1 2.010100e-03 7.072427e-06 ; 3.899945e-01 1.428259e-01 2.226097e-02 1.430188e-02 0.004395 0.011584 True md_ensemble 7 196 223 N_GB1_24 N_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.385894e-05 0.004395 0.001132 True md_ensemble 7 196 226 - N_GB1_24 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 229 - N_GB1_24 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 230 - N_GB1_24 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 231 - N_GB1_24 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 232 + N_GB1_24 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 229 + N_GB1_24 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 230 + N_GB1_24 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 231 + N_GB1_24 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 232 N_GB1_24 NZ_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 6.095961e-04 0.004395 0.001132 True md_ensemble 7 196 233 N_GB1_24 N_GB1_29 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 196 236 - N_GB1_24 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 239 - N_GB1_24 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 240 - N_GB1_24 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 241 + N_GB1_24 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 239 + N_GB1_24 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 240 + N_GB1_24 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 241 N_GB1_24 N_GB1_30 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 196 244 - N_GB1_24 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 247 + N_GB1_24 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 247 N_GB1_24 N_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 196 256 - N_GB1_24 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 259 - N_GB1_24 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 260 - N_GB1_24 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 261 - N_GB1_24 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 262 + N_GB1_24 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 259 + N_GB1_24 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 260 + N_GB1_24 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 261 + N_GB1_24 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 262 N_GB1_24 NZ_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 3.606979e-04 0.004395 0.001132 True md_ensemble 7 196 263 N_GB1_24 N_GB1_32 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 196 266 - N_GB1_24 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 269 - N_GB1_24 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 270 + N_GB1_24 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 269 + N_GB1_24 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 270 N_GB1_24 N_GB1_33 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 196 276 - N_GB1_24 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 279 + N_GB1_24 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 279 N_GB1_24 N_GB1_34 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 196 289 - N_GB1_24 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 292 + N_GB1_24 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 292 N_GB1_24 N_GB1_35 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 196 295 - N_GB1_24 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 298 + N_GB1_24 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 298 N_GB1_24 N_GB1_36 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 196 304 - N_GB1_24 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 307 + N_GB1_24 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 307 N_GB1_24 N_GB1_37 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 196 313 - N_GB1_24 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 316 + N_GB1_24 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 316 N_GB1_24 N_GB1_38 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 196 322 - N_GB1_24 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 324 + N_GB1_24 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 324 N_GB1_24 N_GB1_39 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 196 327 - N_GB1_24 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 330 - N_GB1_24 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 331 - N_GB1_24 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 332 + N_GB1_24 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 330 + N_GB1_24 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 331 + N_GB1_24 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 332 N_GB1_24 N_GB1_40 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 196 335 - N_GB1_24 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 338 + N_GB1_24 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 338 N_GB1_24 N_GB1_41 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 196 344 - N_GB1_24 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 346 + N_GB1_24 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 346 N_GB1_24 N_GB1_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 196 349 - N_GB1_24 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 352 - N_GB1_24 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 353 + N_GB1_24 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 352 + N_GB1_24 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 353 N_GB1_24 N_GB1_43 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 196 359 - N_GB1_24 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 362 + N_GB1_24 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 362 N_GB1_24 N_GB1_44 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 196 374 - N_GB1_24 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 377 - N_GB1_24 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 379 + N_GB1_24 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 377 + N_GB1_24 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 379 N_GB1_24 N_GB1_45 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 196 382 - N_GB1_24 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 385 + N_GB1_24 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 385 N_GB1_24 N_GB1_46 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 196 395 - N_GB1_24 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 398 + N_GB1_24 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 398 N_GB1_24 N_GB1_47 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 196 404 - N_GB1_24 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 407 + N_GB1_24 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 407 N_GB1_24 N_GB1_48 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 196 413 - N_GB1_24 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 416 + N_GB1_24 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 416 N_GB1_24 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 196 419 - N_GB1_24 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 422 - N_GB1_24 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 424 + N_GB1_24 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 422 + N_GB1_24 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 424 N_GB1_24 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 196 427 - N_GB1_24 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 430 - N_GB1_24 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 431 - N_GB1_24 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 432 - N_GB1_24 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 433 + N_GB1_24 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 430 + N_GB1_24 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 431 + N_GB1_24 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 432 + N_GB1_24 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 433 N_GB1_24 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 9.081990e-05 0.004395 0.001132 True md_ensemble 7 196 434 N_GB1_24 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 196 437 - N_GB1_24 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 440 - N_GB1_24 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 442 + N_GB1_24 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 440 + N_GB1_24 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 442 N_GB1_24 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 196 445 - N_GB1_24 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 448 + N_GB1_24 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 448 N_GB1_24 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 196 457 - N_GB1_24 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 460 - N_GB1_24 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 462 + N_GB1_24 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 460 + N_GB1_24 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 462 N_GB1_24 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 196 465 - N_GB1_24 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 468 - N_GB1_24 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 469 - N_GB1_24 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 470 + N_GB1_24 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 468 + N_GB1_24 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 469 + N_GB1_24 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 470 N_GB1_24 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 196 473 - N_GB1_24 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 476 - N_GB1_24 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 478 + N_GB1_24 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 476 + N_GB1_24 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 478 N_GB1_24 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 196 481 - N_GB1_24 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 484 - N_GB1_24 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 485 + N_GB1_24 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 484 + N_GB1_24 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 196 485 H_GB1_24 H_GB1_24 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 197 197 H_GB1_24 O_GB1_24 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 197 201 H_GB1_24 H_GB1_25 1 0.000000e+00 8.136475e-09 ; 1.886679e-01 -8.136475e-09 9.805397e-01 6.585793e-01 0.004395 0.001132 True md_ensemble 5 197 203 @@ -28975,13 +28975,13 @@ OD2_GB1_22 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- H_GB1_24 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 197 488 H_GB1_24 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 197 490 H_GB1_24 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 197 491 - CA_GB1_24 CB_GB1_25 1 0.000000e+00 6.555589e-05 ; 3.992203e-01 -6.555589e-05 9.999977e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 198 205 - CA_GB1_24 OG1_GB1_25 1 0.000000e+00 4.735318e-06 ; 3.207063e-01 -4.735318e-06 9.250896e-01 7.506709e-01 0.004395 0.001132 True md_ensemble 5 198 206 - CA_GB1_24 CG2_GB1_25 1 0.000000e+00 3.975309e-05 ; 3.829211e-01 -3.975309e-05 6.760711e-02 7.422740e-01 0.004395 0.001132 True md_ensemble 5 198 207 - CA_GB1_24 C_GB1_25 1 0.000000e+00 1.305188e-05 ; 3.489805e-01 -1.305188e-05 9.999934e-01 9.999948e-01 0.004395 0.001132 True md_ensemble 4 198 208 - CA_GB1_24 O_GB1_25 1 0.000000e+00 5.341180e-06 ; 3.239401e-01 -5.341180e-06 8.361473e-02 3.695633e-01 0.004395 0.001132 True md_ensemble 5 198 209 - CA_GB1_24 N_GB1_26 1 0.000000e+00 5.189350e-06 ; 3.231626e-01 -5.189350e-06 1.000000e+00 6.850632e-01 0.004395 0.001132 True md_ensemble 5 198 210 - CA_GB1_24 CA_GB1_26 1 0.000000e+00 4.401342e-05 ; 3.861835e-01 -4.401342e-05 1.000000e+00 6.713892e-01 0.004395 0.001132 True md_ensemble 6 198 212 + CA_GB1_24 CB_GB1_25 1 0.000000e+00 6.555637e-05 ; 3.992206e-01 -6.555637e-05 9.999977e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 198 205 + CA_GB1_24 OG1_GB1_25 1 0.000000e+00 4.735302e-06 ; 3.207062e-01 -4.735302e-06 9.250896e-01 7.506709e-01 0.004395 0.001132 True md_ensemble 5 198 206 + CA_GB1_24 CG2_GB1_25 1 0.000000e+00 3.975307e-05 ; 3.829210e-01 -3.975307e-05 6.760711e-02 7.422740e-01 0.004395 0.001132 True md_ensemble 5 198 207 + CA_GB1_24 C_GB1_25 1 0.000000e+00 1.305182e-05 ; 3.489803e-01 -1.305182e-05 9.999934e-01 9.999948e-01 0.004395 0.001132 True md_ensemble 4 198 208 + CA_GB1_24 O_GB1_25 1 0.000000e+00 5.341223e-06 ; 3.239404e-01 -5.341223e-06 8.361473e-02 3.695633e-01 0.004395 0.001132 True md_ensemble 5 198 209 + CA_GB1_24 N_GB1_26 1 0.000000e+00 5.189342e-06 ; 3.231625e-01 -5.189342e-06 1.000000e+00 6.850632e-01 0.004395 0.001132 True md_ensemble 5 198 210 + CA_GB1_24 CA_GB1_26 1 0.000000e+00 4.401374e-05 ; 3.861838e-01 -4.401374e-05 1.000000e+00 6.713892e-01 0.004395 0.001132 True md_ensemble 6 198 212 CA_GB1_24 CB_GB1_26 1 1.188238e-02 2.070177e-04 ; 5.091557e-01 1.705060e-01 7.297159e-01 2.546169e-01 0.004395 0.010759 True md_ensemble 7 198 213 CA_GB1_24 C_GB1_26 1 1.058063e-02 1.295649e-04 ; 4.800973e-01 2.160111e-01 7.935057e-01 9.036190e-02 0.004395 0.008482 True md_ensemble 7 198 214 CA_GB1_24 N_GB1_27 1 3.018172e-03 1.158082e-05 ; 3.956695e-01 1.966475e-01 9.982017e-01 1.654471e-01 0.004395 0.008482 True md_ensemble 7 198 216 @@ -29000,168 +29000,168 @@ OD2_GB1_22 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- CA_GB1_24 CE_GB1_28 1 9.523103e-03 1.133189e-04 ; 4.778086e-01 2.000759e-01 2.888020e-01 3.757732e-02 0.004395 0.007117 True md_ensemble 7 198 232 CA_GB1_24 NZ_GB1_28 1 3.153873e-03 1.173733e-05 ; 3.936596e-01 2.118648e-01 1.531358e-01 1.889813e-02 0.004395 0.008482 True md_ensemble 7 198 233 CA_GB1_24 CZ_GB1_52 1 1.118952e-02 1.510476e-04 ; 4.879595e-01 2.072282e-01 6.282759e-02 6.099437e-04 0.004395 0.010759 True md_ensemble 7 198 454 - CB_GB1_24 C_GB1_24 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 200 + CB_GB1_24 C_GB1_24 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 200 CB_GB1_24 O_GB1_24 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 201 - CB_GB1_24 N_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 202 - CB_GB1_24 CA_GB1_25 1 0.000000e+00 2.373791e-05 ; 3.668162e-01 -2.373791e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 199 204 - CB_GB1_24 CB_GB1_25 1 0.000000e+00 2.032712e-05 ; 3.621051e-01 -2.032712e-05 9.962739e-01 8.525884e-01 0.004395 0.001132 True md_ensemble 5 199 205 - CB_GB1_24 OG1_GB1_25 1 0.000000e+00 2.035785e-06 ; 2.989207e-01 -2.035785e-06 1.322592e-01 1.124506e-01 0.004395 0.001132 True md_ensemble 6 199 206 - CB_GB1_24 CG2_GB1_25 1 0.000000e+00 1.082071e-05 ; 3.435709e-01 -1.082071e-05 5.132006e-02 3.101923e-01 0.004395 0.001132 True md_ensemble 6 199 207 - CB_GB1_24 C_GB1_25 1 0.000000e+00 5.569641e-06 ; 3.250728e-01 -5.569641e-06 4.545822e-03 1.830275e-01 0.004395 0.001132 True md_ensemble 5 199 208 + CB_GB1_24 N_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 202 + CB_GB1_24 CA_GB1_25 1 0.000000e+00 2.373790e-05 ; 3.668162e-01 -2.373790e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 199 204 + CB_GB1_24 CB_GB1_25 1 0.000000e+00 2.032711e-05 ; 3.621051e-01 -2.032711e-05 9.962739e-01 8.525884e-01 0.004395 0.001132 True md_ensemble 5 199 205 + CB_GB1_24 OG1_GB1_25 1 0.000000e+00 2.035762e-06 ; 2.989204e-01 -2.035762e-06 1.322592e-01 1.124506e-01 0.004395 0.001132 True md_ensemble 6 199 206 + CB_GB1_24 CG2_GB1_25 1 0.000000e+00 1.082062e-05 ; 3.435706e-01 -1.082062e-05 5.132006e-02 3.101923e-01 0.004395 0.001132 True md_ensemble 6 199 207 + CB_GB1_24 C_GB1_25 1 0.000000e+00 5.569568e-06 ; 3.250724e-01 -5.569568e-06 4.545822e-03 1.830275e-01 0.004395 0.001132 True md_ensemble 5 199 208 CB_GB1_24 O_GB1_25 1 0.000000e+00 1.503992e-06 ; 2.914733e-01 -1.503992e-06 0.000000e+00 4.922510e-02 0.004395 0.001132 True md_ensemble 6 199 209 - CB_GB1_24 N_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 210 - CB_GB1_24 C_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 214 + CB_GB1_24 N_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 210 + CB_GB1_24 C_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 214 CB_GB1_24 O_GB1_26 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 215 - CB_GB1_24 N_GB1_27 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 216 + CB_GB1_24 N_GB1_27 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 216 CB_GB1_24 CA_GB1_27 1 8.517183e-03 1.707643e-04 ; 5.212149e-01 1.062025e-01 5.434580e-02 6.594847e-02 0.004395 0.010759 True md_ensemble 7 199 218 CB_GB1_24 CB_GB1_27 1 9.066959e-03 9.237995e-05 ; 4.656068e-01 2.224772e-01 5.417901e-01 7.797112e-02 0.004395 0.012151 True md_ensemble 7 199 219 CB_GB1_24 CG_GB1_27 1 3.914045e-03 3.718484e-05 ; 4.602107e-01 1.029973e-01 5.682135e-02 8.286925e-02 0.004395 0.012151 True md_ensemble 7 199 220 - CB_GB1_24 CD_GB1_27 1 0.000000e+00 4.752832e-06 ; 3.208049e-01 -4.752832e-06 5.070417e-02 5.635709e-02 0.004395 0.001132 True md_ensemble 7 199 221 - CB_GB1_24 OE1_GB1_27 1 0.000000e+00 1.202144e-06 ; 2.860826e-01 -1.202144e-06 4.482790e-02 3.224376e-02 0.004395 0.001132 True md_ensemble 7 199 222 - CB_GB1_24 OE2_GB1_27 1 0.000000e+00 1.202144e-06 ; 2.860826e-01 -1.202144e-06 4.482790e-02 3.224376e-02 0.004395 0.001132 True md_ensemble 7 199 223 - CB_GB1_24 C_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 224 + CB_GB1_24 CD_GB1_27 1 0.000000e+00 4.752770e-06 ; 3.208046e-01 -4.752770e-06 5.070417e-02 5.635709e-02 0.004395 0.001132 True md_ensemble 7 199 221 + CB_GB1_24 OE1_GB1_27 1 0.000000e+00 1.202145e-06 ; 2.860826e-01 -1.202145e-06 4.482790e-02 3.224376e-02 0.004395 0.001132 True md_ensemble 7 199 222 + CB_GB1_24 OE2_GB1_27 1 0.000000e+00 1.202145e-06 ; 2.860826e-01 -1.202145e-06 4.482790e-02 3.224376e-02 0.004395 0.001132 True md_ensemble 7 199 223 + CB_GB1_24 C_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 224 CB_GB1_24 O_GB1_27 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 225 - CB_GB1_24 N_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 226 + CB_GB1_24 N_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 226 CB_GB1_24 CG_GB1_28 1 6.301963e-03 7.870563e-05 ; 4.816760e-01 1.261496e-01 2.316647e-02 2.156979e-02 0.004395 0.012151 True md_ensemble 7 199 230 CB_GB1_24 CD_GB1_28 1 6.432307e-03 6.602020e-05 ; 4.661779e-01 1.566739e-01 4.641924e-02 2.391836e-02 0.004395 0.012151 True md_ensemble 7 199 231 CB_GB1_24 CE_GB1_28 1 5.218494e-03 3.187395e-05 ; 4.275450e-01 2.135966e-01 1.641717e-01 2.806453e-02 0.004395 0.012151 True md_ensemble 7 199 232 CB_GB1_24 NZ_GB1_28 1 9.914156e-04 2.176286e-06 ; 3.605039e-01 1.129108e-01 1.522857e-01 1.706784e-02 0.004395 0.001132 True md_ensemble 7 199 233 - CB_GB1_24 C_GB1_28 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 234 + CB_GB1_24 C_GB1_28 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 234 CB_GB1_24 O_GB1_28 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 235 - CB_GB1_24 N_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 236 - CB_GB1_24 C_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 242 + CB_GB1_24 N_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 236 + CB_GB1_24 C_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 242 CB_GB1_24 O_GB1_29 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 243 - CB_GB1_24 N_GB1_30 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 244 - CB_GB1_24 C_GB1_30 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 254 + CB_GB1_24 N_GB1_30 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 244 + CB_GB1_24 C_GB1_30 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 254 CB_GB1_24 O_GB1_30 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 255 - CB_GB1_24 N_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 256 - CB_GB1_24 NZ_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 263 - CB_GB1_24 C_GB1_31 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 264 + CB_GB1_24 N_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 256 + CB_GB1_24 NZ_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 263 + CB_GB1_24 C_GB1_31 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 264 CB_GB1_24 O_GB1_31 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 265 - CB_GB1_24 N_GB1_32 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 266 - CB_GB1_24 CD_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 271 + CB_GB1_24 N_GB1_32 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 266 + CB_GB1_24 CD_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 271 CB_GB1_24 OE1_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 272 - CB_GB1_24 NE2_GB1_32 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 273 - CB_GB1_24 C_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 274 + CB_GB1_24 NE2_GB1_32 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 273 + CB_GB1_24 C_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 274 CB_GB1_24 O_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 275 - CB_GB1_24 N_GB1_33 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 276 - CB_GB1_24 OH_GB1_33 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 286 - CB_GB1_24 C_GB1_33 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 287 + CB_GB1_24 N_GB1_33 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 276 + CB_GB1_24 OH_GB1_33 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 286 + CB_GB1_24 C_GB1_33 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 287 CB_GB1_24 O_GB1_33 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 288 - CB_GB1_24 N_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 289 - CB_GB1_24 C_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 293 + CB_GB1_24 N_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 289 + CB_GB1_24 C_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 293 CB_GB1_24 O_GB1_34 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 294 - CB_GB1_24 N_GB1_35 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 295 - CB_GB1_24 CG_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 299 + CB_GB1_24 N_GB1_35 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 295 + CB_GB1_24 CG_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 299 CB_GB1_24 OD1_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 300 - CB_GB1_24 ND2_GB1_35 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 301 - CB_GB1_24 C_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 302 + CB_GB1_24 ND2_GB1_35 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 301 + CB_GB1_24 C_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 302 CB_GB1_24 O_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 303 - CB_GB1_24 N_GB1_36 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 304 - CB_GB1_24 CG_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 308 + CB_GB1_24 N_GB1_36 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 304 + CB_GB1_24 CG_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 308 CB_GB1_24 OD1_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 309 CB_GB1_24 OD2_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 310 - CB_GB1_24 C_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 311 + CB_GB1_24 C_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 311 CB_GB1_24 O_GB1_36 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 312 - CB_GB1_24 N_GB1_37 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 313 - CB_GB1_24 CG_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 317 + CB_GB1_24 N_GB1_37 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 313 + CB_GB1_24 CG_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 317 CB_GB1_24 OD1_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 318 - CB_GB1_24 ND2_GB1_37 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 319 - CB_GB1_24 C_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 320 + CB_GB1_24 ND2_GB1_37 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 319 + CB_GB1_24 C_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 320 CB_GB1_24 O_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 321 - CB_GB1_24 N_GB1_38 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 322 - CB_GB1_24 C_GB1_38 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 325 + CB_GB1_24 N_GB1_38 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 322 + CB_GB1_24 C_GB1_38 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 325 CB_GB1_24 O_GB1_38 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 326 - CB_GB1_24 N_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 327 - CB_GB1_24 C_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 333 + CB_GB1_24 N_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 327 + CB_GB1_24 C_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 333 CB_GB1_24 O_GB1_39 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 334 - CB_GB1_24 N_GB1_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 335 - CB_GB1_24 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 339 + CB_GB1_24 N_GB1_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 335 + CB_GB1_24 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 339 CB_GB1_24 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 340 CB_GB1_24 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 341 - CB_GB1_24 C_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 342 + CB_GB1_24 C_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 342 CB_GB1_24 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 343 - CB_GB1_24 N_GB1_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 344 - CB_GB1_24 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 347 + CB_GB1_24 N_GB1_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 344 + CB_GB1_24 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 347 CB_GB1_24 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 348 - CB_GB1_24 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 349 - CB_GB1_24 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 354 + CB_GB1_24 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 349 + CB_GB1_24 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 354 CB_GB1_24 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 355 CB_GB1_24 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 356 - CB_GB1_24 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 357 + CB_GB1_24 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 357 CB_GB1_24 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 358 - CB_GB1_24 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 359 - CB_GB1_24 NE1_GB1_43 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 366 - CB_GB1_24 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 372 + CB_GB1_24 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 359 + CB_GB1_24 NE1_GB1_43 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 366 + CB_GB1_24 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 372 CB_GB1_24 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 373 - CB_GB1_24 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 374 - CB_GB1_24 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 378 - CB_GB1_24 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 380 + CB_GB1_24 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 374 + CB_GB1_24 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 378 + CB_GB1_24 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 380 CB_GB1_24 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 381 - CB_GB1_24 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 382 - CB_GB1_24 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 392 - CB_GB1_24 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 393 + CB_GB1_24 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 382 + CB_GB1_24 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 392 + CB_GB1_24 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 393 CB_GB1_24 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 394 - CB_GB1_24 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 395 - CB_GB1_24 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 399 + CB_GB1_24 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 395 + CB_GB1_24 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 399 CB_GB1_24 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 400 CB_GB1_24 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 401 - CB_GB1_24 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 402 + CB_GB1_24 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 402 CB_GB1_24 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 403 - CB_GB1_24 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 404 - CB_GB1_24 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 408 + CB_GB1_24 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 404 + CB_GB1_24 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 408 CB_GB1_24 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 409 CB_GB1_24 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 410 - CB_GB1_24 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 411 + CB_GB1_24 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 411 CB_GB1_24 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 412 - CB_GB1_24 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 413 - CB_GB1_24 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 417 + CB_GB1_24 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 413 + CB_GB1_24 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 417 CB_GB1_24 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 418 - CB_GB1_24 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 419 - CB_GB1_24 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 423 - CB_GB1_24 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 425 + CB_GB1_24 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 419 + CB_GB1_24 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 423 + CB_GB1_24 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 425 CB_GB1_24 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 426 - CB_GB1_24 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 427 - CB_GB1_24 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 434 - CB_GB1_24 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 435 + CB_GB1_24 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 427 + CB_GB1_24 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 434 + CB_GB1_24 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 435 CB_GB1_24 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 436 - CB_GB1_24 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 437 - CB_GB1_24 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 441 - CB_GB1_24 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 443 + CB_GB1_24 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 437 + CB_GB1_24 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 441 + CB_GB1_24 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 443 CB_GB1_24 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 444 - CB_GB1_24 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 445 - CB_GB1_24 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 455 + CB_GB1_24 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 445 + CB_GB1_24 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 455 CB_GB1_24 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 456 - CB_GB1_24 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 457 - CB_GB1_24 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 461 - CB_GB1_24 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 463 + CB_GB1_24 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 457 + CB_GB1_24 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 461 + CB_GB1_24 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 463 CB_GB1_24 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 464 - CB_GB1_24 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 465 - CB_GB1_24 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 471 + CB_GB1_24 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 465 + CB_GB1_24 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 471 CB_GB1_24 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 472 - CB_GB1_24 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 473 - CB_GB1_24 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 477 - CB_GB1_24 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 479 + CB_GB1_24 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 473 + CB_GB1_24 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 477 + CB_GB1_24 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 479 CB_GB1_24 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 480 - CB_GB1_24 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 481 - CB_GB1_24 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 486 + CB_GB1_24 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 481 + CB_GB1_24 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 486 CB_GB1_24 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 487 CB_GB1_24 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 488 - CB_GB1_24 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 489 + CB_GB1_24 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 489 CB_GB1_24 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 490 CB_GB1_24 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 199 491 - C_GB1_24 CB_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 205 - C_GB1_24 OG1_GB1_25 1 0.000000e+00 1.013754e-06 ; 2.820478e-01 -1.013754e-06 9.949806e-01 8.827117e-01 0.004395 0.001132 True md_ensemble 4 200 206 - C_GB1_24 CG2_GB1_25 1 0.000000e+00 4.749247e-06 ; 3.207848e-01 -4.749247e-06 9.878653e-01 9.927597e-01 0.004395 0.001132 True md_ensemble 4 200 207 - C_GB1_24 O_GB1_25 1 0.000000e+00 6.822953e-07 ; 2.728932e-01 -6.822953e-07 9.991885e-01 8.242701e-01 0.004395 0.001132 True md_ensemble 4 200 209 - C_GB1_24 N_GB1_26 1 0.000000e+00 1.466328e-06 ; 2.908579e-01 -1.466328e-06 9.999937e-01 9.722635e-01 0.004395 0.001132 True md_ensemble 4 200 210 - C_GB1_24 CA_GB1_26 1 0.000000e+00 1.123951e-05 ; 3.446598e-01 -1.123951e-05 1.000000e+00 8.611424e-01 0.004395 0.001132 True md_ensemble 5 200 212 - C_GB1_24 CB_GB1_26 1 0.000000e+00 4.450583e-06 ; 3.190532e-01 -4.450583e-06 2.728501e-01 2.145500e-01 0.004395 0.001132 True md_ensemble 6 200 213 + C_GB1_24 CB_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 205 + C_GB1_24 OG1_GB1_25 1 0.000000e+00 1.013738e-06 ; 2.820474e-01 -1.013738e-06 9.949806e-01 8.827117e-01 0.004395 0.001132 True md_ensemble 4 200 206 + C_GB1_24 CG2_GB1_25 1 0.000000e+00 4.749185e-06 ; 3.207844e-01 -4.749185e-06 9.878653e-01 9.927597e-01 0.004395 0.001132 True md_ensemble 4 200 207 + C_GB1_24 O_GB1_25 1 0.000000e+00 6.822922e-07 ; 2.728931e-01 -6.822922e-07 9.991885e-01 8.242701e-01 0.004395 0.001132 True md_ensemble 4 200 209 + C_GB1_24 N_GB1_26 1 0.000000e+00 1.466307e-06 ; 2.908576e-01 -1.466307e-06 9.999937e-01 9.722635e-01 0.004395 0.001132 True md_ensemble 4 200 210 + C_GB1_24 CA_GB1_26 1 0.000000e+00 1.123946e-05 ; 3.446596e-01 -1.123946e-05 1.000000e+00 8.611424e-01 0.004395 0.001132 True md_ensemble 5 200 212 + C_GB1_24 CB_GB1_26 1 0.000000e+00 4.450524e-06 ; 3.190528e-01 -4.450524e-06 2.728501e-01 2.145500e-01 0.004395 0.001132 True md_ensemble 6 200 213 C_GB1_24 C_GB1_26 1 1.714877e-03 8.030301e-06 ; 4.090250e-01 9.155331e-02 8.844487e-01 1.499613e-01 0.004395 0.001132 True md_ensemble 6 200 214 C_GB1_24 N_GB1_27 1 1.216845e-03 1.850921e-06 ; 3.391242e-01 1.999968e-01 9.969549e-01 2.114719e-01 0.004395 0.011584 True md_ensemble 7 200 216 C_GB1_24 CA_GB1_27 1 3.112016e-03 1.316642e-05 ; 4.021650e-01 1.838891e-01 9.990131e-01 2.120358e-01 0.004395 0.008482 True md_ensemble 7 200 218 C_GB1_24 CB_GB1_27 1 9.232902e-04 2.265273e-06 ; 3.672516e-01 9.407970e-02 9.949346e-01 1.606327e-01 0.004395 0.001132 True md_ensemble 7 200 219 - C_GB1_24 CG_GB1_27 1 0.000000e+00 5.251987e-06 ; 3.234859e-01 -5.251987e-06 2.951597e-01 1.243387e-01 0.004395 0.001132 True md_ensemble 7 200 220 + C_GB1_24 CG_GB1_27 1 0.000000e+00 5.251899e-06 ; 3.234854e-01 -5.251899e-06 2.951597e-01 1.243387e-01 0.004395 0.001132 True md_ensemble 7 200 220 C_GB1_24 CD_GB1_27 1 2.299028e-03 1.007421e-05 ; 4.045241e-01 1.311649e-01 4.249362e-02 3.422329e-02 0.004395 0.011584 True md_ensemble 7 200 221 C_GB1_24 OE1_GB1_27 1 1.085054e-03 2.751216e-06 ; 3.692713e-01 1.069839e-01 1.005350e-02 1.293837e-02 0.004395 0.011584 True md_ensemble 7 200 222 C_GB1_24 OE2_GB1_27 1 1.085054e-03 2.751216e-06 ; 3.692713e-01 1.069839e-01 1.005350e-02 1.293837e-02 0.004395 0.011584 True md_ensemble 7 200 223 @@ -29173,64 +29173,64 @@ OD2_GB1_22 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- C_GB1_24 CD_GB1_28 1 2.348273e-03 1.123909e-05 ; 4.105163e-01 1.226608e-01 3.873184e-01 3.593456e-02 0.004395 0.001132 True md_ensemble 7 200 231 C_GB1_24 CE_GB1_28 1 1.820248e-03 6.594694e-06 ; 3.919019e-01 1.256048e-01 3.447235e-01 3.020874e-02 0.004395 0.001132 True md_ensemble 7 200 232 C_GB1_24 NZ_GB1_28 1 1.256676e-03 1.618585e-06 ; 3.298517e-01 2.439220e-01 1.499440e-01 1.357515e-02 0.004395 0.011584 True md_ensemble 7 200 233 - C_GB1_24 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 239 - C_GB1_24 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 240 - C_GB1_24 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 241 - C_GB1_24 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 247 - C_GB1_24 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 259 - C_GB1_24 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 260 - C_GB1_24 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 261 - C_GB1_24 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 262 - C_GB1_24 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 269 - C_GB1_24 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 270 - C_GB1_24 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 279 - C_GB1_24 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 292 - C_GB1_24 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 298 - C_GB1_24 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 307 - C_GB1_24 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 316 - C_GB1_24 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 324 - C_GB1_24 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 330 - C_GB1_24 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 331 - C_GB1_24 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 332 - C_GB1_24 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 338 - C_GB1_24 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 346 - C_GB1_24 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 352 - C_GB1_24 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 353 - C_GB1_24 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 362 - C_GB1_24 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 377 - C_GB1_24 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 379 - C_GB1_24 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 385 - C_GB1_24 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 398 - C_GB1_24 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 407 - C_GB1_24 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 416 - C_GB1_24 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 422 - C_GB1_24 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 424 - C_GB1_24 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 430 - C_GB1_24 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 431 - C_GB1_24 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 432 - C_GB1_24 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 433 - C_GB1_24 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 440 - C_GB1_24 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 442 - C_GB1_24 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 448 - C_GB1_24 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 460 - C_GB1_24 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 462 - C_GB1_24 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 468 - C_GB1_24 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 469 - C_GB1_24 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 470 - C_GB1_24 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 476 - C_GB1_24 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 478 - C_GB1_24 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 484 - C_GB1_24 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 485 + C_GB1_24 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 239 + C_GB1_24 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 240 + C_GB1_24 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 241 + C_GB1_24 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 247 + C_GB1_24 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 259 + C_GB1_24 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 260 + C_GB1_24 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 261 + C_GB1_24 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 262 + C_GB1_24 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 269 + C_GB1_24 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 270 + C_GB1_24 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 279 + C_GB1_24 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 292 + C_GB1_24 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 298 + C_GB1_24 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 307 + C_GB1_24 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 316 + C_GB1_24 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 324 + C_GB1_24 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 330 + C_GB1_24 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 331 + C_GB1_24 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 332 + C_GB1_24 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 338 + C_GB1_24 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 346 + C_GB1_24 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 352 + C_GB1_24 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 353 + C_GB1_24 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 362 + C_GB1_24 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 377 + C_GB1_24 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 379 + C_GB1_24 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 385 + C_GB1_24 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 398 + C_GB1_24 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 407 + C_GB1_24 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 416 + C_GB1_24 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 422 + C_GB1_24 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 424 + C_GB1_24 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 430 + C_GB1_24 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 431 + C_GB1_24 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 432 + C_GB1_24 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 433 + C_GB1_24 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 440 + C_GB1_24 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 442 + C_GB1_24 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 448 + C_GB1_24 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 460 + C_GB1_24 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 462 + C_GB1_24 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 468 + C_GB1_24 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 469 + C_GB1_24 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 470 + C_GB1_24 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 476 + C_GB1_24 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 478 + C_GB1_24 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 484 + C_GB1_24 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 200 485 O_GB1_24 O_GB1_24 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 201 201 O_GB1_24 H_GB1_25 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 201 203 - O_GB1_24 CB_GB1_25 1 0.000000e+00 4.153480e-06 ; 3.172215e-01 -4.153480e-06 1.000000e+00 9.999965e-01 0.004395 0.001132 True md_ensemble 4 201 205 - O_GB1_24 OG1_GB1_25 1 0.000000e+00 4.093477e-07 ; 2.615187e-01 -4.093477e-07 2.858056e-02 1.549999e-01 0.004395 0.001132 True md_ensemble 5 201 206 + O_GB1_24 CB_GB1_25 1 0.000000e+00 4.153513e-06 ; 3.172218e-01 -4.153513e-06 1.000000e+00 9.999965e-01 0.004395 0.001132 True md_ensemble 4 201 205 + O_GB1_24 OG1_GB1_25 1 0.000000e+00 4.093465e-07 ; 2.615186e-01 -4.093465e-07 2.858056e-02 1.549999e-01 0.004395 0.001132 True md_ensemble 5 201 206 O_GB1_24 CG2_GB1_25 1 0.000000e+00 2.171592e-06 ; 3.005337e-01 -2.171592e-06 5.235612e-02 4.962418e-01 0.004395 0.001132 True md_ensemble 5 201 207 - O_GB1_24 C_GB1_25 1 0.000000e+00 8.235015e-07 ; 2.772046e-01 -8.235015e-07 1.000000e+00 9.958385e-01 0.004395 0.001132 True md_ensemble 4 201 208 + O_GB1_24 C_GB1_25 1 0.000000e+00 8.234977e-07 ; 2.772045e-01 -8.234977e-07 1.000000e+00 9.958385e-01 0.004395 0.001132 True md_ensemble 4 201 208 O_GB1_24 O_GB1_25 1 0.000000e+00 1.169376e-06 ; 2.854244e-01 -1.169376e-06 9.999684e-01 7.795522e-01 0.004395 0.001132 True md_ensemble 5 201 209 O_GB1_24 N_GB1_26 1 0.000000e+00 1.346059e-06 ; 2.887910e-01 -1.346059e-06 9.998898e-01 8.972624e-01 0.004395 0.001132 True md_ensemble 5 201 210 - O_GB1_24 H_GB1_26 1 0.000000e+00 1.816011e-08 ; 2.017227e-01 -1.816011e-08 1.402834e-02 1.844249e-01 0.004395 0.001132 True md_ensemble 6 201 211 - O_GB1_24 CA_GB1_26 1 0.000000e+00 2.584485e-06 ; 3.049249e-01 -2.584485e-06 9.254536e-01 5.476972e-01 0.004395 0.001132 True md_ensemble 6 201 212 + O_GB1_24 H_GB1_26 1 0.000000e+00 1.816039e-08 ; 2.017230e-01 -1.816039e-08 1.402834e-02 1.844249e-01 0.004395 0.001132 True md_ensemble 6 201 211 + O_GB1_24 CA_GB1_26 1 0.000000e+00 2.584506e-06 ; 3.049251e-01 -2.584506e-06 9.254536e-01 5.476972e-01 0.004395 0.001132 True md_ensemble 6 201 212 O_GB1_24 CB_GB1_26 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 201 213 O_GB1_24 C_GB1_26 1 2.144600e-03 5.336457e-06 ; 3.681158e-01 2.154665e-01 5.539670e-01 8.706448e-02 0.004395 0.011584 True md_ensemble 7 201 214 O_GB1_24 O_GB1_26 1 0.000000e+00 1.587139e-06 ; 2.927833e-01 -1.587139e-06 2.259764e-02 8.069011e-02 0.004395 0.001132 True md_ensemble 7 201 215 @@ -29373,16 +29373,16 @@ OD2_GB1_22 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- O_GB1_24 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 201 488 O_GB1_24 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 201 490 O_GB1_24 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 201 491 - N_GB1_25 CB_GB1_25 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 205 - N_GB1_25 CG2_GB1_25 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 207 - N_GB1_25 CA_GB1_26 1 0.000000e+00 7.574668e-06 ; 3.335098e-01 -7.574668e-06 9.999937e-01 9.999506e-01 0.004395 0.001132 True md_ensemble 4 202 212 - N_GB1_25 CB_GB1_26 1 0.000000e+00 1.822153e-06 ; 2.961718e-01 -1.822153e-06 7.056784e-01 3.699883e-01 0.004395 0.001132 True md_ensemble 5 202 213 + N_GB1_25 CB_GB1_25 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 205 + N_GB1_25 CG2_GB1_25 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 207 + N_GB1_25 CA_GB1_26 1 0.000000e+00 7.574656e-06 ; 3.335098e-01 -7.574656e-06 9.999937e-01 9.999506e-01 0.004395 0.001132 True md_ensemble 4 202 212 + N_GB1_25 CB_GB1_26 1 0.000000e+00 1.822136e-06 ; 2.961716e-01 -1.822136e-06 7.056784e-01 3.699883e-01 0.004395 0.001132 True md_ensemble 5 202 213 N_GB1_25 C_GB1_26 1 2.109386e-03 9.710033e-06 ; 4.078597e-01 1.145596e-01 6.307402e-01 6.846845e-02 0.004395 0.001132 True md_ensemble 5 202 214 N_GB1_25 O_GB1_26 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 0.000000e+00 7.651802e-02 0.004395 0.001132 True md_ensemble 6 202 215 N_GB1_25 N_GB1_27 1 1.181940e-03 3.169911e-06 ; 3.727422e-01 1.101752e-01 8.834874e-01 1.044114e-01 0.004395 0.001132 True md_ensemble 6 202 216 N_GB1_25 CA_GB1_27 1 9.539134e-03 8.959017e-05 ; 4.593305e-01 2.539204e-01 7.787366e-01 4.253147e-02 0.004395 0.008482 True md_ensemble 7 202 218 N_GB1_25 CB_GB1_27 1 4.683484e-03 3.321181e-05 ; 4.383159e-01 1.651146e-01 2.873507e-01 1.170797e-02 0.004395 0.001132 True md_ensemble 7 202 219 - N_GB1_25 CG_GB1_27 1 0.000000e+00 3.646410e-06 ; 3.137982e-01 -3.646410e-06 2.709578e-02 1.902426e-02 0.004395 0.001132 True md_ensemble 7 202 220 + N_GB1_25 CG_GB1_27 1 0.000000e+00 3.646362e-06 ; 3.137979e-01 -3.646362e-06 2.709578e-02 1.902426e-02 0.004395 0.001132 True md_ensemble 7 202 220 N_GB1_25 N_GB1_28 1 2.759906e-03 1.046783e-05 ; 3.949060e-01 1.819164e-01 3.846594e-02 7.612806e-04 0.004395 0.001132 True md_ensemble 7 202 226 N_GB1_25 CA_GB1_28 1 1.049792e-02 1.168148e-04 ; 4.724970e-01 2.358570e-01 1.094327e-01 4.685581e-03 0.004395 0.008482 True md_ensemble 7 202 228 N_GB1_25 CB_GB1_28 1 4.336314e-03 2.689260e-05 ; 4.286328e-01 1.748029e-01 3.592984e-01 1.213302e-02 0.004395 0.001132 True md_ensemble 7 202 229 @@ -29391,85 +29391,85 @@ OD2_GB1_22 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- N_GB1_25 CE_GB1_28 1 2.168187e-03 9.422051e-06 ; 4.039629e-01 1.247349e-01 1.091217e-01 9.725141e-03 0.004395 0.001132 True md_ensemble 7 202 232 N_GB1_25 NZ_GB1_28 1 1.397973e-03 3.984827e-06 ; 3.765464e-01 1.226106e-01 3.258423e-02 3.026039e-03 0.004395 0.001132 True md_ensemble 7 202 233 N_GB1_25 N_GB1_29 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 2.698864e-09 0.004395 0.001132 True md_ensemble 7 202 236 - N_GB1_25 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 239 - N_GB1_25 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 240 - N_GB1_25 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 241 + N_GB1_25 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 239 + N_GB1_25 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 240 + N_GB1_25 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 241 N_GB1_25 N_GB1_30 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 202 244 - N_GB1_25 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 247 + N_GB1_25 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 247 N_GB1_25 N_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 202 256 - N_GB1_25 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 259 - N_GB1_25 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 260 - N_GB1_25 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 261 - N_GB1_25 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 262 + N_GB1_25 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 259 + N_GB1_25 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 260 + N_GB1_25 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 261 + N_GB1_25 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 262 N_GB1_25 NZ_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 5.536202e-04 0.004395 0.001132 True md_ensemble 7 202 263 N_GB1_25 N_GB1_32 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 202 266 - N_GB1_25 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 269 - N_GB1_25 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 270 + N_GB1_25 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 269 + N_GB1_25 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 270 N_GB1_25 N_GB1_33 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 202 276 - N_GB1_25 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 279 + N_GB1_25 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 279 N_GB1_25 N_GB1_34 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 202 289 - N_GB1_25 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 292 + N_GB1_25 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 292 N_GB1_25 N_GB1_35 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 202 295 - N_GB1_25 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 298 + N_GB1_25 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 298 N_GB1_25 N_GB1_36 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 202 304 - N_GB1_25 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 307 + N_GB1_25 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 307 N_GB1_25 N_GB1_37 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 202 313 - N_GB1_25 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 316 + N_GB1_25 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 316 N_GB1_25 N_GB1_38 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 202 322 - N_GB1_25 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 324 + N_GB1_25 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 324 N_GB1_25 N_GB1_39 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 202 327 - N_GB1_25 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 330 - N_GB1_25 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 331 - N_GB1_25 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 332 + N_GB1_25 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 330 + N_GB1_25 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 331 + N_GB1_25 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 332 N_GB1_25 N_GB1_40 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 202 335 - N_GB1_25 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 338 + N_GB1_25 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 338 N_GB1_25 N_GB1_41 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 202 344 - N_GB1_25 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 346 + N_GB1_25 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 346 N_GB1_25 N_GB1_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 202 349 - N_GB1_25 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 352 - N_GB1_25 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 353 + N_GB1_25 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 352 + N_GB1_25 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 353 N_GB1_25 N_GB1_43 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 202 359 - N_GB1_25 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 362 + N_GB1_25 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 362 N_GB1_25 N_GB1_44 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 202 374 - N_GB1_25 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 377 - N_GB1_25 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 379 + N_GB1_25 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 377 + N_GB1_25 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 379 N_GB1_25 N_GB1_45 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 202 382 - N_GB1_25 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 385 + N_GB1_25 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 385 N_GB1_25 N_GB1_46 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 202 395 - N_GB1_25 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 398 + N_GB1_25 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 398 N_GB1_25 N_GB1_47 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 202 404 - N_GB1_25 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 407 + N_GB1_25 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 407 N_GB1_25 N_GB1_48 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 202 413 - N_GB1_25 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 416 + N_GB1_25 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 416 N_GB1_25 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 202 419 - N_GB1_25 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 422 - N_GB1_25 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 424 + N_GB1_25 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 422 + N_GB1_25 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 424 N_GB1_25 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 202 427 - N_GB1_25 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 430 - N_GB1_25 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 431 - N_GB1_25 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 432 - N_GB1_25 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 433 + N_GB1_25 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 430 + N_GB1_25 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 431 + N_GB1_25 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 432 + N_GB1_25 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 433 N_GB1_25 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 6.210059e-05 0.004395 0.001132 True md_ensemble 7 202 434 N_GB1_25 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 202 437 - N_GB1_25 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 440 - N_GB1_25 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 442 + N_GB1_25 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 440 + N_GB1_25 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 442 N_GB1_25 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 202 445 - N_GB1_25 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 448 + N_GB1_25 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 448 N_GB1_25 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 202 457 - N_GB1_25 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 460 - N_GB1_25 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 462 + N_GB1_25 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 460 + N_GB1_25 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 462 N_GB1_25 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 202 465 - N_GB1_25 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 468 - N_GB1_25 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 469 - N_GB1_25 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 470 + N_GB1_25 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 468 + N_GB1_25 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 469 + N_GB1_25 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 470 N_GB1_25 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 202 473 - N_GB1_25 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 476 - N_GB1_25 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 478 + N_GB1_25 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 476 + N_GB1_25 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 478 N_GB1_25 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 202 481 - N_GB1_25 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 484 - N_GB1_25 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 485 + N_GB1_25 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 484 + N_GB1_25 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 202 485 H_GB1_25 H_GB1_25 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 203 203 - H_GB1_25 OG1_GB1_25 1 0.000000e+00 1.706981e-08 ; 2.006846e-01 -1.706981e-08 9.863844e-01 7.830347e-01 0.004395 0.001132 True md_ensemble 4 203 206 + H_GB1_25 OG1_GB1_25 1 0.000000e+00 1.706989e-08 ; 2.006847e-01 -1.706989e-08 9.863844e-01 7.830347e-01 0.004395 0.001132 True md_ensemble 4 203 206 H_GB1_25 O_GB1_25 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 203 209 H_GB1_25 H_GB1_26 1 0.000000e+00 6.487688e-09 ; 1.851410e-01 -6.487688e-09 9.910324e-01 5.316731e-01 0.004395 0.001132 True md_ensemble 5 203 211 H_GB1_25 O_GB1_26 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 203 215 @@ -29558,13 +29558,13 @@ OD2_GB1_22 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- H_GB1_25 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 203 488 H_GB1_25 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 203 490 H_GB1_25 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 203 491 - CA_GB1_25 CB_GB1_26 1 0.000000e+00 2.373787e-05 ; 3.668162e-01 -2.373787e-05 1.000000e+00 9.999984e-01 0.004395 0.001132 True md_ensemble 4 204 213 - CA_GB1_25 C_GB1_26 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 1.000000e+00 9.999994e-01 0.004395 0.001132 True md_ensemble 4 204 214 - CA_GB1_25 O_GB1_26 1 0.000000e+00 4.954294e-06 ; 3.219167e-01 -4.954294e-06 1.009792e-01 2.937806e-01 0.004395 0.001132 True md_ensemble 5 204 215 - CA_GB1_25 N_GB1_27 1 0.000000e+00 5.681023e-06 ; 3.256096e-01 -5.681023e-06 9.999965e-01 7.499670e-01 0.004395 0.001132 True md_ensemble 5 204 216 - CA_GB1_25 CA_GB1_27 1 0.000000e+00 4.784943e-05 ; 3.888822e-01 -4.784943e-05 9.999946e-01 7.298991e-01 0.004395 0.001132 True md_ensemble 6 204 218 + CA_GB1_25 CB_GB1_26 1 0.000000e+00 2.373786e-05 ; 3.668162e-01 -2.373786e-05 1.000000e+00 9.999984e-01 0.004395 0.001132 True md_ensemble 4 204 213 + CA_GB1_25 C_GB1_26 1 0.000000e+00 1.305179e-05 ; 3.489802e-01 -1.305179e-05 1.000000e+00 9.999994e-01 0.004395 0.001132 True md_ensemble 4 204 214 + CA_GB1_25 O_GB1_26 1 0.000000e+00 4.954333e-06 ; 3.219169e-01 -4.954333e-06 1.009792e-01 2.937806e-01 0.004395 0.001132 True md_ensemble 5 204 215 + CA_GB1_25 N_GB1_27 1 0.000000e+00 5.681014e-06 ; 3.256096e-01 -5.681014e-06 9.999965e-01 7.499670e-01 0.004395 0.001132 True md_ensemble 5 204 216 + CA_GB1_25 CA_GB1_27 1 0.000000e+00 4.784978e-05 ; 3.888824e-01 -4.784978e-05 9.999946e-01 7.298991e-01 0.004395 0.001132 True md_ensemble 6 204 218 CA_GB1_25 CB_GB1_27 1 1.015087e-02 1.738058e-04 ; 5.076840e-01 1.482118e-01 9.049249e-01 3.217579e-01 0.004395 0.007117 True md_ensemble 7 204 219 - CA_GB1_25 CG_GB1_27 1 0.000000e+00 3.741513e-05 ; 3.809918e-01 -3.741513e-05 4.728416e-02 2.233557e-01 0.004395 0.007117 True md_ensemble 7 204 220 + CA_GB1_25 CG_GB1_27 1 0.000000e+00 3.741497e-05 ; 3.809916e-01 -3.741497e-05 4.728416e-02 2.233557e-01 0.004395 0.007117 True md_ensemble 7 204 220 CA_GB1_25 C_GB1_27 1 9.789902e-03 1.253668e-04 ; 4.836903e-01 1.911235e-01 6.562202e-01 1.210565e-01 0.004395 0.008482 True md_ensemble 7 204 224 CA_GB1_25 N_GB1_28 1 3.436261e-03 1.503563e-05 ; 4.044261e-01 1.963319e-01 9.908239e-01 1.652322e-01 0.004395 0.008482 True md_ensemble 7 204 226 CA_GB1_25 CA_GB1_28 1 6.329461e-03 6.004909e-05 ; 4.601046e-01 1.667889e-01 9.986839e-01 2.254321e-01 0.004395 0.006476 True md_ensemble 7 204 228 @@ -29579,401 +29579,401 @@ OD2_GB1_22 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- CA_GB1_25 CB_GB1_29 1 2.063331e-02 5.309378e-04 ; 5.433493e-01 2.004629e-01 4.606865e-01 5.414096e-02 0.004395 0.006476 True md_ensemble 7 204 239 CA_GB1_25 CG1_GB1_29 1 1.182580e-02 1.752771e-04 ; 4.956203e-01 1.994692e-01 1.773901e-01 3.530622e-02 0.004395 0.010759 True md_ensemble 7 204 240 CA_GB1_25 CG2_GB1_29 1 1.276292e-02 1.772005e-04 ; 4.902518e-01 2.298132e-01 5.089980e-01 5.626042e-02 0.004395 0.010759 True md_ensemble 7 204 241 - CB_GB1_25 OG1_GB1_25 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 206 - CB_GB1_25 C_GB1_25 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 208 + CB_GB1_25 OG1_GB1_25 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 206 + CB_GB1_25 C_GB1_25 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 208 CB_GB1_25 O_GB1_25 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 209 - CB_GB1_25 N_GB1_26 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 210 - CB_GB1_25 CA_GB1_26 1 0.000000e+00 6.555589e-05 ; 3.992203e-01 -6.555589e-05 9.999977e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 205 212 - CB_GB1_25 CB_GB1_26 1 0.000000e+00 1.976687e-05 ; 3.612627e-01 -1.976687e-05 9.992912e-01 8.320044e-01 0.004395 0.001132 True md_ensemble 5 205 213 - CB_GB1_25 C_GB1_26 1 0.000000e+00 8.785064e-06 ; 3.376554e-01 -8.785064e-06 8.890673e-01 5.621561e-01 0.004395 0.001132 True md_ensemble 5 205 214 + CB_GB1_25 N_GB1_26 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 210 + CB_GB1_25 CA_GB1_26 1 0.000000e+00 6.555637e-05 ; 3.992206e-01 -6.555637e-05 9.999977e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 205 212 + CB_GB1_25 CB_GB1_26 1 0.000000e+00 1.976686e-05 ; 3.612627e-01 -1.976686e-05 9.992912e-01 8.320044e-01 0.004395 0.001132 True md_ensemble 5 205 213 + CB_GB1_25 C_GB1_26 1 0.000000e+00 8.785019e-06 ; 3.376553e-01 -8.785019e-06 8.890673e-01 5.621561e-01 0.004395 0.001132 True md_ensemble 5 205 214 CB_GB1_25 O_GB1_26 1 0.000000e+00 4.153495e-06 ; 3.172216e-01 -4.153495e-06 0.000000e+00 9.956450e-02 0.004395 0.001132 True md_ensemble 6 205 215 - CB_GB1_25 N_GB1_27 1 0.000000e+00 9.421870e-06 ; 3.396303e-01 -9.421870e-06 3.554537e-02 2.793575e-01 0.004395 0.001132 True md_ensemble 6 205 216 - CB_GB1_25 CA_GB1_27 1 0.000000e+00 8.364293e-05 ; 4.074091e-01 -8.364293e-05 1.544312e-02 2.913486e-01 0.004395 0.006476 True md_ensemble 7 205 218 - CB_GB1_25 CD_GB1_27 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 221 - CB_GB1_25 OE1_GB1_27 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 222 - CB_GB1_25 OE2_GB1_27 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 223 - CB_GB1_25 C_GB1_27 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 224 + CB_GB1_25 N_GB1_27 1 0.000000e+00 9.421856e-06 ; 3.396303e-01 -9.421856e-06 3.554537e-02 2.793575e-01 0.004395 0.001132 True md_ensemble 6 205 216 + CB_GB1_25 CA_GB1_27 1 0.000000e+00 8.364354e-05 ; 4.074094e-01 -8.364354e-05 1.544312e-02 2.913486e-01 0.004395 0.006476 True md_ensemble 7 205 218 + CB_GB1_25 CD_GB1_27 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 221 + CB_GB1_25 OE1_GB1_27 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 222 + CB_GB1_25 OE2_GB1_27 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 223 + CB_GB1_25 C_GB1_27 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 224 CB_GB1_25 O_GB1_27 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 8.931398e-02 0.004395 0.007862 True md_ensemble 7 205 225 - CB_GB1_25 N_GB1_28 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 226 + CB_GB1_25 N_GB1_28 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 226 CB_GB1_25 CA_GB1_28 1 1.695472e-02 4.977460e-04 ; 5.554174e-01 1.443822e-01 4.171880e-01 1.453913e-01 0.004395 0.006476 True md_ensemble 7 205 228 CB_GB1_25 CB_GB1_28 1 9.879382e-03 1.340428e-04 ; 4.883738e-01 1.820354e-01 7.405119e-01 1.366854e-01 0.004395 0.007117 True md_ensemble 7 205 229 CB_GB1_25 CG_GB1_28 1 8.759699e-03 1.264025e-04 ; 4.934136e-01 1.517619e-01 3.873075e-01 1.285547e-01 0.004395 0.007117 True md_ensemble 7 205 230 CB_GB1_25 CD_GB1_28 1 8.274875e-03 9.912410e-05 ; 4.783396e-01 1.726966e-01 5.062361e-01 1.119844e-01 0.004395 0.007117 True md_ensemble 7 205 231 CB_GB1_25 CE_GB1_28 1 5.692381e-03 4.994467e-05 ; 4.541499e-01 1.621955e-01 3.168610e-01 8.591537e-02 0.004395 0.007117 True md_ensemble 7 205 232 - CB_GB1_25 NZ_GB1_28 1 0.000000e+00 7.356867e-06 ; 3.327000e-01 -7.356867e-06 6.533926e-02 3.654352e-02 0.004395 0.001132 True md_ensemble 7 205 233 - CB_GB1_25 C_GB1_28 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 234 + CB_GB1_25 NZ_GB1_28 1 0.000000e+00 7.356856e-06 ; 3.326999e-01 -7.356856e-06 6.533926e-02 3.654352e-02 0.004395 0.001132 True md_ensemble 7 205 233 + CB_GB1_25 C_GB1_28 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 234 CB_GB1_25 O_GB1_28 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.053625e-02 0.004395 0.007862 True md_ensemble 7 205 235 - CB_GB1_25 N_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 236 + CB_GB1_25 N_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 236 CB_GB1_25 CB_GB1_29 1 1.755457e-02 5.183092e-04 ; 5.559466e-01 1.486386e-01 1.461543e-01 4.690160e-02 0.004395 0.006476 True md_ensemble 7 205 239 CB_GB1_25 CG1_GB1_29 1 1.041676e-02 1.597610e-04 ; 4.984516e-01 1.697989e-01 9.203025e-02 3.255492e-02 0.004395 0.010759 True md_ensemble 7 205 240 CB_GB1_25 CG2_GB1_29 1 1.169869e-02 1.662607e-04 ; 4.921627e-01 2.057902e-01 2.661618e-01 4.686598e-02 0.004395 0.010759 True md_ensemble 7 205 241 - CB_GB1_25 C_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 242 + CB_GB1_25 C_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 242 CB_GB1_25 O_GB1_29 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 6.857414e-03 0.004395 0.007862 True md_ensemble 7 205 243 - CB_GB1_25 N_GB1_30 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 244 - CB_GB1_25 C_GB1_30 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 254 + CB_GB1_25 N_GB1_30 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 244 + CB_GB1_25 C_GB1_30 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 254 CB_GB1_25 O_GB1_30 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.839290e-03 0.004395 0.007862 True md_ensemble 7 205 255 - CB_GB1_25 N_GB1_31 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 256 - CB_GB1_25 NZ_GB1_31 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 263 - CB_GB1_25 C_GB1_31 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 264 + CB_GB1_25 N_GB1_31 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 256 + CB_GB1_25 NZ_GB1_31 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 263 + CB_GB1_25 C_GB1_31 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 264 CB_GB1_25 O_GB1_31 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.417993e-03 0.004395 0.007862 True md_ensemble 7 205 265 - CB_GB1_25 N_GB1_32 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 266 - CB_GB1_25 CD_GB1_32 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 271 + CB_GB1_25 N_GB1_32 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 266 + CB_GB1_25 CD_GB1_32 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 271 CB_GB1_25 OE1_GB1_32 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.901065e-03 0.004395 0.007862 True md_ensemble 7 205 272 - CB_GB1_25 NE2_GB1_32 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 273 - CB_GB1_25 C_GB1_32 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 274 + CB_GB1_25 NE2_GB1_32 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 273 + CB_GB1_25 C_GB1_32 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 274 CB_GB1_25 O_GB1_32 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.029121e-03 0.004395 0.007862 True md_ensemble 7 205 275 - CB_GB1_25 N_GB1_33 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 276 - CB_GB1_25 OH_GB1_33 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 286 - CB_GB1_25 C_GB1_33 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 287 + CB_GB1_25 N_GB1_33 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 276 + CB_GB1_25 OH_GB1_33 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 286 + CB_GB1_25 C_GB1_33 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 287 CB_GB1_25 O_GB1_33 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 9.009676e-04 0.004395 0.007862 True md_ensemble 7 205 288 - CB_GB1_25 N_GB1_34 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 289 - CB_GB1_25 C_GB1_34 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 293 + CB_GB1_25 N_GB1_34 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 289 + CB_GB1_25 C_GB1_34 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 293 CB_GB1_25 O_GB1_34 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.268938e-03 0.004395 0.007862 True md_ensemble 7 205 294 - CB_GB1_25 N_GB1_35 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 295 - CB_GB1_25 CG_GB1_35 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 299 + CB_GB1_25 N_GB1_35 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 295 + CB_GB1_25 CG_GB1_35 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 299 CB_GB1_25 OD1_GB1_35 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.345679e-03 0.004395 0.007862 True md_ensemble 7 205 300 - CB_GB1_25 ND2_GB1_35 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 301 - CB_GB1_25 C_GB1_35 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 302 + CB_GB1_25 ND2_GB1_35 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 301 + CB_GB1_25 C_GB1_35 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 302 CB_GB1_25 O_GB1_35 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.345599e-04 0.004395 0.007862 True md_ensemble 7 205 303 - CB_GB1_25 N_GB1_36 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 304 - CB_GB1_25 CG_GB1_36 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 308 - CB_GB1_25 OD1_GB1_36 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 309 - CB_GB1_25 OD2_GB1_36 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 310 - CB_GB1_25 C_GB1_36 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 311 + CB_GB1_25 N_GB1_36 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 304 + CB_GB1_25 CG_GB1_36 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 308 + CB_GB1_25 OD1_GB1_36 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 309 + CB_GB1_25 OD2_GB1_36 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 310 + CB_GB1_25 C_GB1_36 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 311 CB_GB1_25 O_GB1_36 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 5.911939e-04 0.004395 0.007862 True md_ensemble 7 205 312 - CB_GB1_25 N_GB1_37 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 313 - CB_GB1_25 CG_GB1_37 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 317 + CB_GB1_25 N_GB1_37 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 313 + CB_GB1_25 CG_GB1_37 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 317 CB_GB1_25 OD1_GB1_37 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 9.073103e-04 0.004395 0.007862 True md_ensemble 7 205 318 - CB_GB1_25 ND2_GB1_37 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 319 - CB_GB1_25 C_GB1_37 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 320 + CB_GB1_25 ND2_GB1_37 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 319 + CB_GB1_25 C_GB1_37 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 320 CB_GB1_25 O_GB1_37 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 5.484216e-04 0.004395 0.007862 True md_ensemble 7 205 321 - CB_GB1_25 N_GB1_38 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 322 - CB_GB1_25 C_GB1_38 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 325 + CB_GB1_25 N_GB1_38 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 322 + CB_GB1_25 C_GB1_38 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 325 CB_GB1_25 O_GB1_38 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 8.292815e-04 0.004395 0.007862 True md_ensemble 7 205 326 - CB_GB1_25 N_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 327 - CB_GB1_25 C_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 333 + CB_GB1_25 N_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 327 + CB_GB1_25 C_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 333 CB_GB1_25 O_GB1_39 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 4.901441e-04 0.004395 0.007862 True md_ensemble 7 205 334 - CB_GB1_25 N_GB1_40 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 335 - CB_GB1_25 CG_GB1_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 339 - CB_GB1_25 OD1_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 340 - CB_GB1_25 OD2_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 341 - CB_GB1_25 C_GB1_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 342 + CB_GB1_25 N_GB1_40 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 335 + CB_GB1_25 CG_GB1_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 339 + CB_GB1_25 OD1_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 340 + CB_GB1_25 OD2_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 341 + CB_GB1_25 C_GB1_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 342 CB_GB1_25 O_GB1_40 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 5.076095e-04 0.004395 0.007862 True md_ensemble 7 205 343 - CB_GB1_25 N_GB1_41 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 344 - CB_GB1_25 C_GB1_41 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 347 + CB_GB1_25 N_GB1_41 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 344 + CB_GB1_25 C_GB1_41 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 347 CB_GB1_25 O_GB1_41 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.017434e-03 0.004395 0.007862 True md_ensemble 7 205 348 - CB_GB1_25 N_GB1_42 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 349 - CB_GB1_25 CD_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 354 - CB_GB1_25 OE1_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 355 - CB_GB1_25 OE2_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 356 - CB_GB1_25 C_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 357 + CB_GB1_25 N_GB1_42 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 349 + CB_GB1_25 CD_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 354 + CB_GB1_25 OE1_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 355 + CB_GB1_25 OE2_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 356 + CB_GB1_25 C_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 357 CB_GB1_25 O_GB1_42 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 7.506578e-04 0.004395 0.007862 True md_ensemble 7 205 358 - CB_GB1_25 N_GB1_43 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 359 - CB_GB1_25 NE1_GB1_43 1 0.000000e+00 9.937288e-06 ; 8.853117e-06 -9.937288e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 366 - CB_GB1_25 C_GB1_43 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 372 + CB_GB1_25 N_GB1_43 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 359 + CB_GB1_25 NE1_GB1_43 1 0.000000e+00 9.937231e-06 ; 8.853066e-06 -9.937231e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 366 + CB_GB1_25 C_GB1_43 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 372 CB_GB1_25 O_GB1_43 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 4.460678e-04 0.004395 0.007862 True md_ensemble 7 205 373 - CB_GB1_25 N_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 374 - CB_GB1_25 OG1_GB1_44 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 378 - CB_GB1_25 C_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 380 + CB_GB1_25 N_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 374 + CB_GB1_25 OG1_GB1_44 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 378 + CB_GB1_25 C_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 380 CB_GB1_25 O_GB1_44 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 5.939038e-04 0.004395 0.007862 True md_ensemble 7 205 381 - CB_GB1_25 N_GB1_45 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 382 - CB_GB1_25 OH_GB1_45 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 392 - CB_GB1_25 C_GB1_45 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 393 + CB_GB1_25 N_GB1_45 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 382 + CB_GB1_25 OH_GB1_45 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 392 + CB_GB1_25 C_GB1_45 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 393 CB_GB1_25 O_GB1_45 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.938728e-04 0.004395 0.007862 True md_ensemble 7 205 394 - CB_GB1_25 N_GB1_46 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 395 - CB_GB1_25 CG_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 399 - CB_GB1_25 OD1_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 400 - CB_GB1_25 OD2_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 401 - CB_GB1_25 C_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 402 + CB_GB1_25 N_GB1_46 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 395 + CB_GB1_25 CG_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 399 + CB_GB1_25 OD1_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 400 + CB_GB1_25 OD2_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 401 + CB_GB1_25 C_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 402 CB_GB1_25 O_GB1_46 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 4.998553e-04 0.004395 0.007862 True md_ensemble 7 205 403 - CB_GB1_25 N_GB1_47 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 404 - CB_GB1_25 CG_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 408 - CB_GB1_25 OD1_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 409 - CB_GB1_25 OD2_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 410 - CB_GB1_25 C_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 411 + CB_GB1_25 N_GB1_47 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 404 + CB_GB1_25 CG_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 408 + CB_GB1_25 OD1_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 409 + CB_GB1_25 OD2_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 410 + CB_GB1_25 C_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 411 CB_GB1_25 O_GB1_47 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.413314e-04 0.004395 0.007862 True md_ensemble 7 205 412 - CB_GB1_25 N_GB1_48 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 413 - CB_GB1_25 C_GB1_48 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 417 + CB_GB1_25 N_GB1_48 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 413 + CB_GB1_25 C_GB1_48 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 417 CB_GB1_25 O_GB1_48 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.141625e-04 0.004395 0.007862 True md_ensemble 7 205 418 - CB_GB1_25 N_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 419 - CB_GB1_25 OG1_GB1_49 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 423 - CB_GB1_25 C_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 425 + CB_GB1_25 N_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 419 + CB_GB1_25 OG1_GB1_49 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 423 + CB_GB1_25 C_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 425 CB_GB1_25 O_GB1_49 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 7.563675e-05 0.004395 0.007862 True md_ensemble 7 205 426 - CB_GB1_25 N_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 427 - CB_GB1_25 NZ_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 434 - CB_GB1_25 C_GB1_50 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 435 + CB_GB1_25 N_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 427 + CB_GB1_25 NZ_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 434 + CB_GB1_25 C_GB1_50 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 435 CB_GB1_25 O_GB1_50 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.690645e-04 0.004395 0.007862 True md_ensemble 7 205 436 - CB_GB1_25 N_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 437 - CB_GB1_25 OG1_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 441 - CB_GB1_25 C_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 443 + CB_GB1_25 N_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 437 + CB_GB1_25 OG1_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 441 + CB_GB1_25 C_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 443 CB_GB1_25 O_GB1_51 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.000291e-04 0.004395 0.007862 True md_ensemble 7 205 444 - CB_GB1_25 N_GB1_52 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 445 - CB_GB1_25 C_GB1_52 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 455 + CB_GB1_25 N_GB1_52 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 445 + CB_GB1_25 C_GB1_52 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 455 CB_GB1_25 O_GB1_52 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.878963e-04 0.004395 0.007862 True md_ensemble 7 205 456 - CB_GB1_25 N_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 457 - CB_GB1_25 OG1_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 461 - CB_GB1_25 C_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 463 + CB_GB1_25 N_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 457 + CB_GB1_25 OG1_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 461 + CB_GB1_25 C_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 463 CB_GB1_25 O_GB1_53 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.998598e-04 0.004395 0.007862 True md_ensemble 7 205 464 - CB_GB1_25 N_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 465 - CB_GB1_25 C_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 471 + CB_GB1_25 N_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 465 + CB_GB1_25 C_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 471 CB_GB1_25 O_GB1_54 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 205 472 - CB_GB1_25 N_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 473 - CB_GB1_25 OG1_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 477 - CB_GB1_25 C_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 479 + CB_GB1_25 N_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 473 + CB_GB1_25 OG1_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 477 + CB_GB1_25 C_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 479 CB_GB1_25 O_GB1_55 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.769574e-04 0.004395 0.007862 True md_ensemble 7 205 480 - CB_GB1_25 N_GB1_56 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 481 - CB_GB1_25 CD_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 486 - CB_GB1_25 OE1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 487 - CB_GB1_25 OE2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 488 - CB_GB1_25 C_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 489 - CB_GB1_25 O1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 490 - CB_GB1_25 O2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 491 -OG1_GB1_25 CG2_GB1_25 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 207 -OG1_GB1_25 O_GB1_25 1 0.000000e+00 5.949698e-07 ; 2.697965e-01 -5.949698e-07 7.921146e-02 7.164151e-01 0.004395 0.001132 True md_ensemble 4 206 209 -OG1_GB1_25 N_GB1_26 1 0.000000e+00 8.317459e-07 ; 2.774348e-01 -8.317459e-07 4.598016e-01 7.147612e-01 0.004395 0.001132 True md_ensemble 4 206 210 -OG1_GB1_25 H_GB1_26 1 0.000000e+00 2.396832e-08 ; 2.064420e-01 -2.396832e-08 4.805648e-02 1.666609e-01 0.004395 0.001132 True md_ensemble 5 206 211 -OG1_GB1_25 CA_GB1_26 1 0.000000e+00 8.635220e-06 ; 3.371717e-01 -8.635220e-06 6.125921e-02 5.667708e-01 0.004395 0.001132 True md_ensemble 5 206 212 -OG1_GB1_25 CB_GB1_26 1 0.000000e+00 2.256946e-06 ; 3.015008e-01 -2.256946e-06 1.001600e-02 9.669181e-02 0.004395 0.001132 True md_ensemble 6 206 213 + CB_GB1_25 N_GB1_56 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 481 + CB_GB1_25 CD_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 486 + CB_GB1_25 OE1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 487 + CB_GB1_25 OE2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 488 + CB_GB1_25 C_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 489 + CB_GB1_25 O1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 490 + CB_GB1_25 O2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 205 491 +OG1_GB1_25 CG2_GB1_25 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 207 +OG1_GB1_25 O_GB1_25 1 0.000000e+00 5.949682e-07 ; 2.697964e-01 -5.949682e-07 7.921146e-02 7.164151e-01 0.004395 0.001132 True md_ensemble 4 206 209 +OG1_GB1_25 N_GB1_26 1 0.000000e+00 8.317357e-07 ; 2.774345e-01 -8.317357e-07 4.598016e-01 7.147612e-01 0.004395 0.001132 True md_ensemble 4 206 210 +OG1_GB1_25 H_GB1_26 1 0.000000e+00 2.396843e-08 ; 2.064421e-01 -2.396843e-08 4.805648e-02 1.666609e-01 0.004395 0.001132 True md_ensemble 5 206 211 +OG1_GB1_25 CA_GB1_26 1 0.000000e+00 8.635191e-06 ; 3.371716e-01 -8.635191e-06 6.125921e-02 5.667708e-01 0.004395 0.001132 True md_ensemble 5 206 212 +OG1_GB1_25 CB_GB1_26 1 0.000000e+00 2.256920e-06 ; 3.015005e-01 -2.256920e-06 1.001600e-02 9.669181e-02 0.004395 0.001132 True md_ensemble 6 206 213 OG1_GB1_25 C_GB1_26 1 0.000000e+00 1.141961e-06 ; 2.848607e-01 -1.141961e-06 0.000000e+00 4.790821e-02 0.004395 0.001132 True md_ensemble 6 206 214 OG1_GB1_25 H_GB1_27 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 217 -OG1_GB1_25 CB_GB1_27 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 219 -OG1_GB1_25 CG_GB1_27 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 220 +OG1_GB1_25 CB_GB1_27 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 219 +OG1_GB1_25 CG_GB1_27 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 220 OG1_GB1_25 H_GB1_28 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 227 -OG1_GB1_25 CB_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 229 -OG1_GB1_25 CG_GB1_28 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 230 -OG1_GB1_25 CD_GB1_28 1 0.000000e+00 2.808062e-06 ; 3.070404e-01 -2.808062e-06 2.285315e-02 3.167524e-02 0.004395 0.001132 True md_ensemble 7 206 231 -OG1_GB1_25 CE_GB1_28 1 0.000000e+00 2.706447e-06 ; 3.060988e-01 -2.706447e-06 5.422507e-02 2.654120e-02 0.004395 0.001132 True md_ensemble 7 206 232 +OG1_GB1_25 CB_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 229 +OG1_GB1_25 CG_GB1_28 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 230 +OG1_GB1_25 CD_GB1_28 1 0.000000e+00 2.808020e-06 ; 3.070400e-01 -2.808020e-06 2.285315e-02 3.167524e-02 0.004395 0.001132 True md_ensemble 7 206 231 +OG1_GB1_25 CE_GB1_28 1 0.000000e+00 2.706407e-06 ; 3.060984e-01 -2.706407e-06 5.422507e-02 2.654120e-02 0.004395 0.001132 True md_ensemble 7 206 232 OG1_GB1_25 NZ_GB1_28 1 3.769176e-04 4.244090e-07 ; 3.225445e-01 8.368514e-02 5.804790e-03 1.173488e-02 0.004395 0.011584 True md_ensemble 7 206 233 OG1_GB1_25 H_GB1_29 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 237 -OG1_GB1_25 CB_GB1_29 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 239 -OG1_GB1_25 CG1_GB1_29 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 240 -OG1_GB1_25 CG2_GB1_29 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 241 +OG1_GB1_25 CB_GB1_29 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 239 +OG1_GB1_25 CG1_GB1_29 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 240 +OG1_GB1_25 CG2_GB1_29 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 241 OG1_GB1_25 H_GB1_30 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 245 -OG1_GB1_25 CB_GB1_30 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 247 +OG1_GB1_25 CB_GB1_30 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 247 OG1_GB1_25 H_GB1_31 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 257 -OG1_GB1_25 CB_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 259 -OG1_GB1_25 CG_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 260 -OG1_GB1_25 CD_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 261 -OG1_GB1_25 CE_GB1_31 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 262 +OG1_GB1_25 CB_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 259 +OG1_GB1_25 CG_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 260 +OG1_GB1_25 CD_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 261 +OG1_GB1_25 CE_GB1_31 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 262 OG1_GB1_25 H_GB1_32 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 267 -OG1_GB1_25 CB_GB1_32 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 269 -OG1_GB1_25 CG_GB1_32 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 270 +OG1_GB1_25 CB_GB1_32 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 269 +OG1_GB1_25 CG_GB1_32 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 270 OG1_GB1_25 H_GB1_33 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 277 -OG1_GB1_25 CB_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 279 +OG1_GB1_25 CB_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 279 OG1_GB1_25 H_GB1_34 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 290 -OG1_GB1_25 CB_GB1_34 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 292 +OG1_GB1_25 CB_GB1_34 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 292 OG1_GB1_25 H_GB1_35 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 296 -OG1_GB1_25 CB_GB1_35 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 298 +OG1_GB1_25 CB_GB1_35 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 298 OG1_GB1_25 H_GB1_36 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 305 -OG1_GB1_25 CB_GB1_36 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 307 +OG1_GB1_25 CB_GB1_36 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 307 OG1_GB1_25 H_GB1_37 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 314 -OG1_GB1_25 CB_GB1_37 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 316 +OG1_GB1_25 CB_GB1_37 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 316 OG1_GB1_25 H_GB1_38 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 323 -OG1_GB1_25 CA_GB1_38 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 324 +OG1_GB1_25 CA_GB1_38 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 324 OG1_GB1_25 H_GB1_39 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 328 -OG1_GB1_25 CB_GB1_39 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 330 -OG1_GB1_25 CG1_GB1_39 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 331 -OG1_GB1_25 CG2_GB1_39 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 332 +OG1_GB1_25 CB_GB1_39 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 330 +OG1_GB1_25 CG1_GB1_39 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 331 +OG1_GB1_25 CG2_GB1_39 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 332 OG1_GB1_25 H_GB1_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 336 -OG1_GB1_25 CB_GB1_40 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 338 +OG1_GB1_25 CB_GB1_40 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 338 OG1_GB1_25 H_GB1_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 345 -OG1_GB1_25 CA_GB1_41 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 346 +OG1_GB1_25 CA_GB1_41 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 346 OG1_GB1_25 H_GB1_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 350 -OG1_GB1_25 CB_GB1_42 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 352 -OG1_GB1_25 CG_GB1_42 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 353 +OG1_GB1_25 CB_GB1_42 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 352 +OG1_GB1_25 CG_GB1_42 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 353 OG1_GB1_25 H_GB1_43 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 360 -OG1_GB1_25 CB_GB1_43 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 362 +OG1_GB1_25 CB_GB1_43 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 362 OG1_GB1_25 H_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 375 -OG1_GB1_25 CB_GB1_44 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 377 -OG1_GB1_25 CG2_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 379 +OG1_GB1_25 CB_GB1_44 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 377 +OG1_GB1_25 CG2_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 379 OG1_GB1_25 H_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 383 -OG1_GB1_25 CB_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 385 +OG1_GB1_25 CB_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 385 OG1_GB1_25 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 396 -OG1_GB1_25 CB_GB1_46 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 398 +OG1_GB1_25 CB_GB1_46 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 398 OG1_GB1_25 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 405 -OG1_GB1_25 CB_GB1_47 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 407 +OG1_GB1_25 CB_GB1_47 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 407 OG1_GB1_25 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 414 -OG1_GB1_25 CB_GB1_48 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 416 +OG1_GB1_25 CB_GB1_48 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 416 OG1_GB1_25 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 420 -OG1_GB1_25 CB_GB1_49 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 422 -OG1_GB1_25 CG2_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 424 +OG1_GB1_25 CB_GB1_49 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 422 +OG1_GB1_25 CG2_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 424 OG1_GB1_25 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 428 -OG1_GB1_25 CB_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 430 -OG1_GB1_25 CG_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 431 -OG1_GB1_25 CD_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 432 -OG1_GB1_25 CE_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 433 +OG1_GB1_25 CB_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 430 +OG1_GB1_25 CG_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 431 +OG1_GB1_25 CD_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 432 +OG1_GB1_25 CE_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 433 OG1_GB1_25 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 438 -OG1_GB1_25 CB_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 440 -OG1_GB1_25 CG2_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 442 +OG1_GB1_25 CB_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 440 +OG1_GB1_25 CG2_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 442 OG1_GB1_25 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 446 -OG1_GB1_25 CB_GB1_52 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 448 +OG1_GB1_25 CB_GB1_52 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 448 OG1_GB1_25 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 458 -OG1_GB1_25 CB_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 460 -OG1_GB1_25 CG2_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 462 +OG1_GB1_25 CB_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 460 +OG1_GB1_25 CG2_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 462 OG1_GB1_25 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 466 -OG1_GB1_25 CB_GB1_54 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 468 -OG1_GB1_25 CG1_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 469 -OG1_GB1_25 CG2_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 470 +OG1_GB1_25 CB_GB1_54 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 468 +OG1_GB1_25 CG1_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 469 +OG1_GB1_25 CG2_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 470 OG1_GB1_25 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 474 -OG1_GB1_25 CB_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 476 -OG1_GB1_25 CG2_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 478 +OG1_GB1_25 CB_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 476 +OG1_GB1_25 CG2_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 478 OG1_GB1_25 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 482 -OG1_GB1_25 CB_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 484 -OG1_GB1_25 CG_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 485 -CG2_GB1_25 C_GB1_25 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 208 +OG1_GB1_25 CB_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 484 +OG1_GB1_25 CG_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 206 485 +CG2_GB1_25 C_GB1_25 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 208 CG2_GB1_25 O_GB1_25 1 0.000000e+00 1.375429e-06 ; 2.893109e-01 -1.375429e-06 9.988463e-01 9.133656e-01 0.004395 0.001132 True md_ensemble 4 207 209 -CG2_GB1_25 N_GB1_26 1 0.000000e+00 2.579751e-06 ; 3.048783e-01 -2.579751e-06 9.995418e-01 9.400523e-01 0.004395 0.001132 True md_ensemble 4 207 210 -CG2_GB1_25 CA_GB1_26 1 0.000000e+00 1.503383e-05 ; 3.531161e-01 -1.503383e-05 9.554154e-01 5.887410e-01 0.004395 0.001132 True md_ensemble 5 207 212 -CG2_GB1_25 CB_GB1_26 1 0.000000e+00 9.247552e-06 ; 3.391022e-01 -9.247552e-06 3.733215e-02 1.131841e-01 0.004395 0.001132 True md_ensemble 6 207 213 -CG2_GB1_25 C_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 214 +CG2_GB1_25 N_GB1_26 1 0.000000e+00 2.579726e-06 ; 3.048780e-01 -2.579726e-06 9.995418e-01 9.400523e-01 0.004395 0.001132 True md_ensemble 4 207 210 +CG2_GB1_25 CA_GB1_26 1 0.000000e+00 1.503382e-05 ; 3.531160e-01 -1.503382e-05 9.554154e-01 5.887410e-01 0.004395 0.001132 True md_ensemble 5 207 212 +CG2_GB1_25 CB_GB1_26 1 0.000000e+00 9.247474e-06 ; 3.391019e-01 -9.247474e-06 3.733215e-02 1.131841e-01 0.004395 0.001132 True md_ensemble 6 207 213 +CG2_GB1_25 C_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 214 CG2_GB1_25 O_GB1_26 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 215 -CG2_GB1_25 N_GB1_27 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 216 -CG2_GB1_25 CD_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 221 +CG2_GB1_25 N_GB1_27 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 216 +CG2_GB1_25 CD_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 221 CG2_GB1_25 OE1_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 222 CG2_GB1_25 OE2_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 223 -CG2_GB1_25 C_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 224 +CG2_GB1_25 C_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 224 CG2_GB1_25 O_GB1_27 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 225 -CG2_GB1_25 N_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 226 +CG2_GB1_25 N_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 226 CG2_GB1_25 CA_GB1_28 1 7.460588e-03 1.432296e-04 ; 5.174598e-01 9.715234e-02 4.274982e-02 6.182400e-02 0.004395 0.010759 True md_ensemble 7 207 228 CG2_GB1_25 CB_GB1_28 1 8.152175e-03 7.717373e-05 ; 4.599380e-01 2.152868e-01 3.780899e-01 6.254985e-02 0.004395 0.012151 True md_ensemble 7 207 229 CG2_GB1_25 CG_GB1_28 1 6.097541e-03 5.440761e-05 ; 4.554256e-01 1.708401e-01 1.601246e-01 6.269612e-02 0.004395 0.012151 True md_ensemble 7 207 230 CG2_GB1_25 CD_GB1_28 1 5.394939e-03 3.556396e-05 ; 4.330160e-01 2.045988e-01 3.268322e-01 6.651628e-02 0.004395 0.012151 True md_ensemble 7 207 231 CG2_GB1_25 CE_GB1_28 1 2.855075e-03 1.095679e-05 ; 3.956802e-01 1.859909e-01 2.015133e-01 5.882302e-02 0.004395 0.012151 True md_ensemble 7 207 232 -CG2_GB1_25 NZ_GB1_28 1 0.000000e+00 2.663306e-06 ; 3.056892e-01 -2.663306e-06 5.702367e-02 2.799613e-02 0.004395 0.001132 True md_ensemble 7 207 233 -CG2_GB1_25 C_GB1_28 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 234 +CG2_GB1_25 NZ_GB1_28 1 0.000000e+00 2.663281e-06 ; 3.056890e-01 -2.663281e-06 5.702367e-02 2.799613e-02 0.004395 0.001132 True md_ensemble 7 207 233 +CG2_GB1_25 C_GB1_28 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 234 CG2_GB1_25 O_GB1_28 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 235 -CG2_GB1_25 N_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 236 +CG2_GB1_25 N_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 236 CG2_GB1_25 CA_GB1_29 1 9.772313e-03 1.912422e-04 ; 5.191160e-01 1.248392e-01 2.038069e-02 1.723354e-02 0.004395 0.010759 True md_ensemble 7 207 238 CG2_GB1_25 CB_GB1_29 1 1.346247e-02 1.890920e-04 ; 4.911997e-01 2.396163e-01 2.624578e-01 2.398969e-02 0.004395 0.010759 True md_ensemble 7 207 239 CG2_GB1_25 CG1_GB1_29 1 4.563768e-03 2.001747e-05 ; 4.045892e-01 2.601225e-01 1.751514e-01 1.944366e-02 0.004395 0.020717 True md_ensemble 7 207 240 CG2_GB1_25 CG2_GB1_29 1 4.625535e-03 1.842146e-05 ; 3.981319e-01 2.903620e-01 3.893044e-01 2.562438e-02 0.004395 0.020717 True md_ensemble 7 207 241 -CG2_GB1_25 C_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 242 +CG2_GB1_25 C_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 242 CG2_GB1_25 O_GB1_29 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 243 -CG2_GB1_25 N_GB1_30 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 244 -CG2_GB1_25 C_GB1_30 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 254 +CG2_GB1_25 N_GB1_30 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 244 +CG2_GB1_25 C_GB1_30 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 254 CG2_GB1_25 O_GB1_30 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 255 -CG2_GB1_25 N_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 256 -CG2_GB1_25 NZ_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 263 -CG2_GB1_25 C_GB1_31 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 264 +CG2_GB1_25 N_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 256 +CG2_GB1_25 NZ_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 263 +CG2_GB1_25 C_GB1_31 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 264 CG2_GB1_25 O_GB1_31 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 265 -CG2_GB1_25 N_GB1_32 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 266 -CG2_GB1_25 CD_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 271 +CG2_GB1_25 N_GB1_32 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 266 +CG2_GB1_25 CD_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 271 CG2_GB1_25 OE1_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 272 -CG2_GB1_25 NE2_GB1_32 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 273 -CG2_GB1_25 C_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 274 +CG2_GB1_25 NE2_GB1_32 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 273 +CG2_GB1_25 C_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 274 CG2_GB1_25 O_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 275 -CG2_GB1_25 N_GB1_33 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 276 -CG2_GB1_25 OH_GB1_33 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 286 -CG2_GB1_25 C_GB1_33 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 287 +CG2_GB1_25 N_GB1_33 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 276 +CG2_GB1_25 OH_GB1_33 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 286 +CG2_GB1_25 C_GB1_33 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 287 CG2_GB1_25 O_GB1_33 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 288 -CG2_GB1_25 N_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 289 -CG2_GB1_25 C_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 293 +CG2_GB1_25 N_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 289 +CG2_GB1_25 C_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 293 CG2_GB1_25 O_GB1_34 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 294 -CG2_GB1_25 N_GB1_35 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 295 -CG2_GB1_25 CG_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 299 +CG2_GB1_25 N_GB1_35 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 295 +CG2_GB1_25 CG_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 299 CG2_GB1_25 OD1_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 300 -CG2_GB1_25 ND2_GB1_35 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 301 -CG2_GB1_25 C_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 302 +CG2_GB1_25 ND2_GB1_35 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 301 +CG2_GB1_25 C_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 302 CG2_GB1_25 O_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 303 -CG2_GB1_25 N_GB1_36 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 304 -CG2_GB1_25 CG_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 308 +CG2_GB1_25 N_GB1_36 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 304 +CG2_GB1_25 CG_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 308 CG2_GB1_25 OD1_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 309 CG2_GB1_25 OD2_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 310 -CG2_GB1_25 C_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 311 +CG2_GB1_25 C_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 311 CG2_GB1_25 O_GB1_36 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 312 -CG2_GB1_25 N_GB1_37 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 313 -CG2_GB1_25 CG_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 317 +CG2_GB1_25 N_GB1_37 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 313 +CG2_GB1_25 CG_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 317 CG2_GB1_25 OD1_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 318 -CG2_GB1_25 ND2_GB1_37 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 319 -CG2_GB1_25 C_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 320 +CG2_GB1_25 ND2_GB1_37 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 319 +CG2_GB1_25 C_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 320 CG2_GB1_25 O_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 321 -CG2_GB1_25 N_GB1_38 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 322 -CG2_GB1_25 C_GB1_38 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 325 +CG2_GB1_25 N_GB1_38 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 322 +CG2_GB1_25 C_GB1_38 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 325 CG2_GB1_25 O_GB1_38 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 326 -CG2_GB1_25 N_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 327 -CG2_GB1_25 C_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 333 +CG2_GB1_25 N_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 327 +CG2_GB1_25 C_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 333 CG2_GB1_25 O_GB1_39 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 334 -CG2_GB1_25 N_GB1_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 335 -CG2_GB1_25 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 339 +CG2_GB1_25 N_GB1_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 335 +CG2_GB1_25 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 339 CG2_GB1_25 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 340 CG2_GB1_25 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 341 -CG2_GB1_25 C_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 342 +CG2_GB1_25 C_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 342 CG2_GB1_25 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 343 -CG2_GB1_25 N_GB1_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 344 -CG2_GB1_25 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 347 +CG2_GB1_25 N_GB1_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 344 +CG2_GB1_25 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 347 CG2_GB1_25 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 348 -CG2_GB1_25 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 349 -CG2_GB1_25 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 354 +CG2_GB1_25 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 349 +CG2_GB1_25 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 354 CG2_GB1_25 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 355 CG2_GB1_25 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 356 -CG2_GB1_25 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 357 +CG2_GB1_25 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 357 CG2_GB1_25 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 358 -CG2_GB1_25 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 359 -CG2_GB1_25 NE1_GB1_43 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 366 -CG2_GB1_25 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 372 +CG2_GB1_25 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 359 +CG2_GB1_25 NE1_GB1_43 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 366 +CG2_GB1_25 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 372 CG2_GB1_25 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 373 -CG2_GB1_25 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 374 -CG2_GB1_25 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 378 -CG2_GB1_25 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 380 +CG2_GB1_25 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 374 +CG2_GB1_25 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 378 +CG2_GB1_25 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 380 CG2_GB1_25 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 381 -CG2_GB1_25 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 382 -CG2_GB1_25 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 392 -CG2_GB1_25 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 393 +CG2_GB1_25 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 382 +CG2_GB1_25 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 392 +CG2_GB1_25 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 393 CG2_GB1_25 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 394 -CG2_GB1_25 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 395 -CG2_GB1_25 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 399 +CG2_GB1_25 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 395 +CG2_GB1_25 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 399 CG2_GB1_25 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 400 CG2_GB1_25 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 401 -CG2_GB1_25 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 402 +CG2_GB1_25 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 402 CG2_GB1_25 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 403 -CG2_GB1_25 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 404 -CG2_GB1_25 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 408 +CG2_GB1_25 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 404 +CG2_GB1_25 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 408 CG2_GB1_25 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 409 CG2_GB1_25 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 410 -CG2_GB1_25 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 411 +CG2_GB1_25 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 411 CG2_GB1_25 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 412 -CG2_GB1_25 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 413 -CG2_GB1_25 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 417 +CG2_GB1_25 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 413 +CG2_GB1_25 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 417 CG2_GB1_25 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 418 -CG2_GB1_25 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 419 -CG2_GB1_25 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 423 -CG2_GB1_25 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 425 +CG2_GB1_25 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 419 +CG2_GB1_25 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 423 +CG2_GB1_25 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 425 CG2_GB1_25 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 426 -CG2_GB1_25 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 427 -CG2_GB1_25 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 434 -CG2_GB1_25 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 435 +CG2_GB1_25 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 427 +CG2_GB1_25 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 434 +CG2_GB1_25 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 435 CG2_GB1_25 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 436 -CG2_GB1_25 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 437 -CG2_GB1_25 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 441 -CG2_GB1_25 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 443 +CG2_GB1_25 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 437 +CG2_GB1_25 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 441 +CG2_GB1_25 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 443 CG2_GB1_25 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 444 -CG2_GB1_25 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 445 -CG2_GB1_25 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 455 +CG2_GB1_25 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 445 +CG2_GB1_25 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 455 CG2_GB1_25 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 456 -CG2_GB1_25 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 457 -CG2_GB1_25 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 461 -CG2_GB1_25 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 463 +CG2_GB1_25 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 457 +CG2_GB1_25 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 461 +CG2_GB1_25 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 463 CG2_GB1_25 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 464 -CG2_GB1_25 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 465 -CG2_GB1_25 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 471 +CG2_GB1_25 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 465 +CG2_GB1_25 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 471 CG2_GB1_25 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 472 -CG2_GB1_25 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 473 -CG2_GB1_25 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 477 -CG2_GB1_25 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 479 +CG2_GB1_25 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 473 +CG2_GB1_25 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 477 +CG2_GB1_25 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 479 CG2_GB1_25 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 480 -CG2_GB1_25 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 481 -CG2_GB1_25 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 486 +CG2_GB1_25 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 481 +CG2_GB1_25 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 486 CG2_GB1_25 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 487 CG2_GB1_25 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 488 -CG2_GB1_25 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 489 +CG2_GB1_25 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 489 CG2_GB1_25 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 490 CG2_GB1_25 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 207 491 - C_GB1_25 CB_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 213 - C_GB1_25 O_GB1_26 1 0.000000e+00 6.726289e-07 ; 2.725689e-01 -6.726289e-07 9.999326e-01 8.133248e-01 0.004395 0.001132 True md_ensemble 4 208 215 - C_GB1_25 N_GB1_27 1 0.000000e+00 1.459684e-06 ; 2.907479e-01 -1.459684e-06 9.999972e-01 9.678618e-01 0.004395 0.001132 True md_ensemble 4 208 216 - C_GB1_25 CA_GB1_27 1 0.000000e+00 1.133518e-05 ; 3.449033e-01 -1.133518e-05 9.999884e-01 8.684605e-01 0.004395 0.001132 True md_ensemble 5 208 218 - C_GB1_25 CB_GB1_27 1 0.000000e+00 3.926329e-06 ; 3.157383e-01 -3.926329e-06 6.724525e-01 2.923378e-01 0.004395 0.001132 True md_ensemble 6 208 219 - C_GB1_25 CG_GB1_27 1 0.000000e+00 7.246518e-06 ; 3.322812e-01 -7.246518e-06 3.327411e-02 1.773478e-01 0.004395 0.001132 True md_ensemble 7 208 220 + C_GB1_25 CB_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 213 + C_GB1_25 O_GB1_26 1 0.000000e+00 6.726258e-07 ; 2.725688e-01 -6.726258e-07 9.999326e-01 8.133248e-01 0.004395 0.001132 True md_ensemble 4 208 215 + C_GB1_25 N_GB1_27 1 0.000000e+00 1.459663e-06 ; 2.907475e-01 -1.459663e-06 9.999972e-01 9.678618e-01 0.004395 0.001132 True md_ensemble 4 208 216 + C_GB1_25 CA_GB1_27 1 0.000000e+00 1.133512e-05 ; 3.449032e-01 -1.133512e-05 9.999884e-01 8.684605e-01 0.004395 0.001132 True md_ensemble 5 208 218 + C_GB1_25 CB_GB1_27 1 0.000000e+00 3.926263e-06 ; 3.157378e-01 -3.926263e-06 6.724525e-01 2.923378e-01 0.004395 0.001132 True md_ensemble 6 208 219 + C_GB1_25 CG_GB1_27 1 0.000000e+00 7.246397e-06 ; 3.322807e-01 -7.246397e-06 3.327411e-02 1.773478e-01 0.004395 0.001132 True md_ensemble 7 208 220 C_GB1_25 C_GB1_27 1 1.353413e-03 6.405049e-06 ; 4.097466e-01 7.149543e-02 8.824993e-01 2.207332e-01 0.004395 0.001132 True md_ensemble 6 208 224 C_GB1_25 N_GB1_28 1 1.213959e-03 1.834744e-06 ; 3.387625e-01 2.008039e-01 9.956224e-01 2.079108e-01 0.004395 0.011584 True md_ensemble 7 208 226 C_GB1_25 CA_GB1_28 1 3.444197e-03 1.602083e-05 ; 4.085697e-01 1.851104e-01 9.973422e-01 2.067286e-01 0.004395 0.008482 True md_ensemble 7 208 228 @@ -29987,61 +29987,61 @@ CG2_GB1_25 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- C_GB1_25 CB_GB1_29 1 3.896621e-03 2.888323e-05 ; 4.415633e-01 1.314228e-01 7.799732e-01 6.106132e-02 0.004395 0.001132 True md_ensemble 7 208 239 C_GB1_25 CG1_GB1_29 1 2.174965e-03 1.094800e-05 ; 4.139810e-01 1.080214e-01 2.837065e-01 3.495813e-02 0.004395 0.001132 True md_ensemble 7 208 240 C_GB1_25 CG2_GB1_29 1 1.988579e-03 7.743190e-06 ; 3.966397e-01 1.276750e-01 7.686995e-01 6.471302e-02 0.004395 0.001132 True md_ensemble 7 208 241 - C_GB1_25 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 247 - C_GB1_25 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 259 - C_GB1_25 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 260 - C_GB1_25 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 261 - C_GB1_25 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 262 - C_GB1_25 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 269 - C_GB1_25 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 270 - C_GB1_25 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 279 - C_GB1_25 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 292 - C_GB1_25 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 298 - C_GB1_25 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 307 - C_GB1_25 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 316 - C_GB1_25 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 324 - C_GB1_25 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 330 - C_GB1_25 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 331 - C_GB1_25 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 332 - C_GB1_25 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 338 - C_GB1_25 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 346 - C_GB1_25 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 352 - C_GB1_25 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 353 - C_GB1_25 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 362 - C_GB1_25 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 377 - C_GB1_25 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 379 - C_GB1_25 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 385 - C_GB1_25 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 398 - C_GB1_25 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 407 - C_GB1_25 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 416 - C_GB1_25 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 422 - C_GB1_25 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 424 - C_GB1_25 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 430 - C_GB1_25 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 431 - C_GB1_25 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 432 - C_GB1_25 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 433 - C_GB1_25 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 440 - C_GB1_25 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 442 - C_GB1_25 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 448 - C_GB1_25 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 460 - C_GB1_25 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 462 - C_GB1_25 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 468 - C_GB1_25 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 469 - C_GB1_25 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 470 - C_GB1_25 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 476 - C_GB1_25 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 478 - C_GB1_25 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 484 - C_GB1_25 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 485 + C_GB1_25 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 247 + C_GB1_25 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 259 + C_GB1_25 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 260 + C_GB1_25 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 261 + C_GB1_25 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 262 + C_GB1_25 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 269 + C_GB1_25 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 270 + C_GB1_25 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 279 + C_GB1_25 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 292 + C_GB1_25 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 298 + C_GB1_25 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 307 + C_GB1_25 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 316 + C_GB1_25 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 324 + C_GB1_25 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 330 + C_GB1_25 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 331 + C_GB1_25 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 332 + C_GB1_25 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 338 + C_GB1_25 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 346 + C_GB1_25 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 352 + C_GB1_25 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 353 + C_GB1_25 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 362 + C_GB1_25 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 377 + C_GB1_25 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 379 + C_GB1_25 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 385 + C_GB1_25 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 398 + C_GB1_25 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 407 + C_GB1_25 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 416 + C_GB1_25 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 422 + C_GB1_25 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 424 + C_GB1_25 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 430 + C_GB1_25 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 431 + C_GB1_25 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 432 + C_GB1_25 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 433 + C_GB1_25 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 440 + C_GB1_25 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 442 + C_GB1_25 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 448 + C_GB1_25 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 460 + C_GB1_25 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 462 + C_GB1_25 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 468 + C_GB1_25 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 469 + C_GB1_25 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 470 + C_GB1_25 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 476 + C_GB1_25 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 478 + C_GB1_25 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 484 + C_GB1_25 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 208 485 O_GB1_25 O_GB1_25 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 209 209 O_GB1_25 H_GB1_26 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 209 211 O_GB1_25 CB_GB1_26 1 0.000000e+00 1.503329e-06 ; 2.914626e-01 -1.503329e-06 1.000000e+00 9.995595e-01 0.004395 0.001132 True md_ensemble 4 209 213 - O_GB1_25 C_GB1_26 1 0.000000e+00 8.183541e-07 ; 2.770597e-01 -8.183541e-07 1.000000e+00 9.896138e-01 0.004395 0.001132 True md_ensemble 4 209 214 + O_GB1_25 C_GB1_26 1 0.000000e+00 8.183503e-07 ; 2.770596e-01 -8.183503e-07 1.000000e+00 9.896138e-01 0.004395 0.001132 True md_ensemble 4 209 214 O_GB1_25 O_GB1_26 1 0.000000e+00 1.161646e-06 ; 2.852668e-01 -1.161646e-06 9.999960e-01 7.744270e-01 0.004395 0.001132 True md_ensemble 5 209 215 O_GB1_25 N_GB1_27 1 0.000000e+00 1.290395e-06 ; 2.877764e-01 -1.290395e-06 9.999706e-01 8.602336e-01 0.004395 0.001132 True md_ensemble 5 209 216 - O_GB1_25 H_GB1_27 1 0.000000e+00 1.839582e-08 ; 2.019397e-01 -1.839582e-08 3.922683e-02 2.248151e-01 0.004395 0.001132 True md_ensemble 6 209 217 - O_GB1_25 CA_GB1_27 1 0.000000e+00 2.673360e-06 ; 3.057852e-01 -2.673360e-06 9.789781e-01 6.226192e-01 0.004395 0.001132 True md_ensemble 6 209 218 - O_GB1_25 CB_GB1_27 1 0.000000e+00 2.203901e-06 ; 3.009038e-01 -2.203901e-06 2.222410e-02 1.156153e-01 0.004395 0.007862 True md_ensemble 7 209 219 - O_GB1_25 CG_GB1_27 1 0.000000e+00 2.257830e-06 ; 3.015106e-01 -2.257830e-06 4.605475e-03 1.247519e-01 0.004395 0.007862 True md_ensemble 7 209 220 + O_GB1_25 H_GB1_27 1 0.000000e+00 1.839612e-08 ; 2.019399e-01 -1.839612e-08 3.922683e-02 2.248151e-01 0.004395 0.001132 True md_ensemble 6 209 217 + O_GB1_25 CA_GB1_27 1 0.000000e+00 2.673381e-06 ; 3.057854e-01 -2.673381e-06 9.789781e-01 6.226192e-01 0.004395 0.001132 True md_ensemble 6 209 218 + O_GB1_25 CB_GB1_27 1 0.000000e+00 2.203893e-06 ; 3.009037e-01 -2.203893e-06 2.222410e-02 1.156153e-01 0.004395 0.007862 True md_ensemble 7 209 219 + O_GB1_25 CG_GB1_27 1 0.000000e+00 2.257822e-06 ; 3.015105e-01 -2.257822e-06 4.605475e-03 1.247519e-01 0.004395 0.007862 True md_ensemble 7 209 220 O_GB1_25 OE1_GB1_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 209 222 O_GB1_25 OE2_GB1_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 209 223 O_GB1_25 C_GB1_27 1 1.759176e-03 3.805109e-06 ; 3.596193e-01 2.033253e-01 7.461469e-01 1.483834e-01 0.004395 0.011584 True md_ensemble 7 209 224 @@ -30178,98 +30178,98 @@ CG2_GB1_25 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- O_GB1_25 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 209 488 O_GB1_25 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 209 490 O_GB1_25 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 209 491 - N_GB1_26 CB_GB1_26 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 213 - N_GB1_26 CA_GB1_27 1 0.000000e+00 7.574868e-06 ; 3.335106e-01 -7.574868e-06 9.999967e-01 9.999800e-01 0.004395 0.001132 True md_ensemble 4 210 218 - N_GB1_26 CB_GB1_27 1 0.000000e+00 2.452399e-06 ; 3.035948e-01 -2.452399e-06 7.942106e-01 4.613337e-01 0.004395 0.001132 True md_ensemble 5 210 219 - N_GB1_26 CG_GB1_27 1 0.000000e+00 4.498379e-06 ; 3.193373e-01 -4.498379e-06 1.901695e-02 2.427055e-01 0.004395 0.001132 True md_ensemble 6 210 220 + N_GB1_26 CB_GB1_26 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 213 + N_GB1_26 CA_GB1_27 1 0.000000e+00 7.574856e-06 ; 3.335105e-01 -7.574856e-06 9.999967e-01 9.999800e-01 0.004395 0.001132 True md_ensemble 4 210 218 + N_GB1_26 CB_GB1_27 1 0.000000e+00 2.452367e-06 ; 3.035944e-01 -2.452367e-06 7.942106e-01 4.613337e-01 0.004395 0.001132 True md_ensemble 5 210 219 + N_GB1_26 CG_GB1_27 1 0.000000e+00 4.498320e-06 ; 3.193370e-01 -4.498320e-06 1.901695e-02 2.427055e-01 0.004395 0.001132 True md_ensemble 6 210 220 N_GB1_26 C_GB1_27 1 1.461932e-03 7.218307e-06 ; 4.126527e-01 7.402170e-02 3.812984e-01 9.081387e-02 0.004395 0.001132 True md_ensemble 5 210 224 N_GB1_26 O_GB1_27 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 0.000000e+00 1.373708e-01 0.004395 0.001132 True md_ensemble 6 210 225 N_GB1_26 N_GB1_28 1 1.264507e-03 3.805338e-06 ; 3.799665e-01 1.050483e-01 7.562792e-01 9.871606e-02 0.004395 0.001132 True md_ensemble 6 210 226 N_GB1_26 CA_GB1_28 1 9.674320e-03 9.999228e-05 ; 4.667213e-01 2.339993e-01 5.240289e-01 4.210856e-02 0.004395 0.008482 True md_ensemble 7 210 228 N_GB1_26 CB_GB1_28 1 3.833785e-03 2.881399e-05 ; 4.425842e-01 1.275241e-01 1.082101e-01 9.136364e-03 0.004395 0.001132 True md_ensemble 7 210 229 - N_GB1_26 CG_GB1_28 1 0.000000e+00 3.653898e-06 ; 3.138519e-01 -3.653898e-06 1.947953e-02 1.344498e-02 0.004395 0.001132 True md_ensemble 7 210 230 - N_GB1_26 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 231 - N_GB1_26 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 232 + N_GB1_26 CG_GB1_28 1 0.000000e+00 3.653850e-06 ; 3.138515e-01 -3.653850e-06 1.947953e-02 1.344498e-02 0.004395 0.001132 True md_ensemble 7 210 230 + N_GB1_26 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 231 + N_GB1_26 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 232 N_GB1_26 NZ_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.957893e-03 0.004395 0.001132 True md_ensemble 7 210 233 N_GB1_26 N_GB1_29 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.708260e-03 2.949848e-04 0.004395 0.001132 True md_ensemble 7 210 236 N_GB1_26 CA_GB1_29 1 5.793329e-03 6.758156e-05 ; 4.762299e-01 1.241561e-01 1.255602e-02 1.754592e-03 0.004395 0.008482 True md_ensemble 7 210 238 N_GB1_26 CB_GB1_29 1 4.976662e-03 4.400064e-05 ; 4.547299e-01 1.407205e-01 2.772417e-01 1.812495e-02 0.004395 0.001132 True md_ensemble 7 210 239 - N_GB1_26 CG1_GB1_29 1 0.000000e+00 2.616211e-06 ; 3.052351e-01 -2.616211e-06 6.271909e-02 1.652219e-02 0.004395 0.001132 True md_ensemble 7 210 240 + N_GB1_26 CG1_GB1_29 1 0.000000e+00 2.616187e-06 ; 3.052348e-01 -2.616187e-06 6.271909e-02 1.652219e-02 0.004395 0.001132 True md_ensemble 7 210 240 N_GB1_26 CG2_GB1_29 1 2.402734e-03 1.270265e-05 ; 4.173798e-01 1.136206e-01 3.510947e-01 3.881226e-02 0.004395 0.001132 True md_ensemble 7 210 241 N_GB1_26 N_GB1_30 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 210 244 - N_GB1_26 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 247 + N_GB1_26 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 247 N_GB1_26 N_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 3.326252e-06 0.004395 0.001132 True md_ensemble 7 210 256 - N_GB1_26 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 259 - N_GB1_26 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 260 - N_GB1_26 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 261 - N_GB1_26 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 262 + N_GB1_26 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 259 + N_GB1_26 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 260 + N_GB1_26 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 261 + N_GB1_26 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 262 N_GB1_26 NZ_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 8.533070e-04 0.004395 0.001132 True md_ensemble 7 210 263 N_GB1_26 N_GB1_32 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 210 266 - N_GB1_26 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 269 - N_GB1_26 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 270 + N_GB1_26 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 269 + N_GB1_26 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 270 N_GB1_26 N_GB1_33 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 210 276 - N_GB1_26 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 279 + N_GB1_26 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 279 N_GB1_26 N_GB1_34 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 210 289 - N_GB1_26 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 292 + N_GB1_26 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 292 N_GB1_26 N_GB1_35 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 210 295 - N_GB1_26 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 298 + N_GB1_26 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 298 N_GB1_26 N_GB1_36 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 210 304 - N_GB1_26 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 307 + N_GB1_26 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 307 N_GB1_26 N_GB1_37 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 210 313 - N_GB1_26 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 316 + N_GB1_26 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 316 N_GB1_26 N_GB1_38 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 210 322 - N_GB1_26 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 324 + N_GB1_26 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 324 N_GB1_26 N_GB1_39 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 210 327 - N_GB1_26 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 330 - N_GB1_26 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 331 - N_GB1_26 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 332 + N_GB1_26 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 330 + N_GB1_26 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 331 + N_GB1_26 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 332 N_GB1_26 N_GB1_40 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 210 335 - N_GB1_26 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 338 + N_GB1_26 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 338 N_GB1_26 N_GB1_41 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 210 344 - N_GB1_26 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 346 + N_GB1_26 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 346 N_GB1_26 N_GB1_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 210 349 - N_GB1_26 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 352 - N_GB1_26 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 353 + N_GB1_26 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 352 + N_GB1_26 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 353 N_GB1_26 N_GB1_43 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 210 359 - N_GB1_26 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 362 + N_GB1_26 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 362 N_GB1_26 N_GB1_44 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 210 374 - N_GB1_26 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 377 - N_GB1_26 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 379 + N_GB1_26 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 377 + N_GB1_26 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 379 N_GB1_26 N_GB1_45 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 210 382 - N_GB1_26 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 385 + N_GB1_26 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 385 N_GB1_26 N_GB1_46 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 210 395 - N_GB1_26 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 398 + N_GB1_26 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 398 N_GB1_26 N_GB1_47 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 210 404 - N_GB1_26 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 407 + N_GB1_26 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 407 N_GB1_26 N_GB1_48 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 210 413 - N_GB1_26 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 416 + N_GB1_26 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 416 N_GB1_26 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 210 419 - N_GB1_26 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 422 - N_GB1_26 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 424 + N_GB1_26 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 422 + N_GB1_26 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 424 N_GB1_26 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 210 427 - N_GB1_26 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 430 - N_GB1_26 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 431 - N_GB1_26 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 432 - N_GB1_26 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 433 + N_GB1_26 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 430 + N_GB1_26 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 431 + N_GB1_26 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 432 + N_GB1_26 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 433 N_GB1_26 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 2.791206e-05 0.004395 0.001132 True md_ensemble 7 210 434 N_GB1_26 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 210 437 - N_GB1_26 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 440 - N_GB1_26 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 442 + N_GB1_26 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 440 + N_GB1_26 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 442 N_GB1_26 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 210 445 - N_GB1_26 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 448 + N_GB1_26 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 448 N_GB1_26 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 210 457 - N_GB1_26 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 460 - N_GB1_26 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 462 + N_GB1_26 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 460 + N_GB1_26 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 462 N_GB1_26 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 210 465 - N_GB1_26 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 468 - N_GB1_26 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 469 - N_GB1_26 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 470 + N_GB1_26 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 468 + N_GB1_26 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 469 + N_GB1_26 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 470 N_GB1_26 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 210 473 - N_GB1_26 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 476 - N_GB1_26 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 478 + N_GB1_26 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 476 + N_GB1_26 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 478 N_GB1_26 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 210 481 - N_GB1_26 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 484 - N_GB1_26 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 485 + N_GB1_26 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 484 + N_GB1_26 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 210 485 H_GB1_26 H_GB1_26 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 211 211 H_GB1_26 O_GB1_26 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 211 215 H_GB1_26 H_GB1_27 1 0.000000e+00 7.720751e-09 ; 1.878451e-01 -7.720751e-09 9.626278e-01 6.060237e-01 0.004395 0.001132 True md_ensemble 5 211 217 @@ -30357,15 +30357,15 @@ CG2_GB1_25 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- H_GB1_26 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 211 488 H_GB1_26 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 211 490 H_GB1_26 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 211 491 - CA_GB1_26 CB_GB1_27 1 0.000000e+00 3.181365e-05 ; 3.758773e-01 -3.181365e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 212 219 - CA_GB1_26 CG_GB1_27 1 0.000000e+00 5.550651e-05 ; 3.937226e-01 -5.550651e-05 1.215238e-01 8.662625e-01 0.004395 0.001132 True md_ensemble 5 212 220 + CA_GB1_26 CB_GB1_27 1 0.000000e+00 3.181352e-05 ; 3.758772e-01 -3.181352e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 212 219 + CA_GB1_26 CG_GB1_27 1 0.000000e+00 5.550628e-05 ; 3.937224e-01 -5.550628e-05 1.215238e-01 8.662625e-01 0.004395 0.001132 True md_ensemble 5 212 220 CA_GB1_26 CD_GB1_27 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 0.000000e+00 5.260420e-02 0.004395 0.001132 True md_ensemble 6 212 221 - CA_GB1_26 C_GB1_27 1 0.000000e+00 1.305187e-05 ; 3.489804e-01 -1.305187e-05 9.999998e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 212 224 - CA_GB1_26 O_GB1_27 1 0.000000e+00 5.442689e-06 ; 3.244488e-01 -5.442689e-06 5.739771e-02 3.677857e-01 0.004395 0.001132 True md_ensemble 5 212 225 - CA_GB1_26 N_GB1_28 1 0.000000e+00 5.364080e-06 ; 3.240557e-01 -5.364080e-06 1.000000e+00 7.081299e-01 0.004395 0.001132 True md_ensemble 5 212 226 - CA_GB1_26 CA_GB1_28 1 0.000000e+00 4.542370e-05 ; 3.871999e-01 -4.542370e-05 1.000000e+00 6.929019e-01 0.004395 0.001132 True md_ensemble 6 212 228 + CA_GB1_26 C_GB1_27 1 0.000000e+00 1.305180e-05 ; 3.489803e-01 -1.305180e-05 9.999998e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 212 224 + CA_GB1_26 O_GB1_27 1 0.000000e+00 5.442733e-06 ; 3.244490e-01 -5.442733e-06 5.739771e-02 3.677857e-01 0.004395 0.001132 True md_ensemble 5 212 225 + CA_GB1_26 N_GB1_28 1 0.000000e+00 5.364072e-06 ; 3.240556e-01 -5.364072e-06 1.000000e+00 7.081299e-01 0.004395 0.001132 True md_ensemble 5 212 226 + CA_GB1_26 CA_GB1_28 1 0.000000e+00 4.542403e-05 ; 3.872001e-01 -4.542403e-05 1.000000e+00 6.929019e-01 0.004395 0.001132 True md_ensemble 6 212 228 CA_GB1_26 CB_GB1_28 1 1.071300e-02 1.910689e-04 ; 5.111478e-01 1.501662e-01 8.529452e-01 2.920018e-01 0.004395 0.007117 True md_ensemble 7 212 229 - CA_GB1_26 CG_GB1_28 1 0.000000e+00 3.488894e-05 ; 3.787788e-01 -3.488894e-05 1.098077e-01 2.064733e-01 0.004395 0.007117 True md_ensemble 7 212 230 + CA_GB1_26 CG_GB1_28 1 0.000000e+00 3.488879e-05 ; 3.787787e-01 -3.488879e-05 1.098077e-01 2.064733e-01 0.004395 0.007117 True md_ensemble 7 212 230 CA_GB1_26 C_GB1_28 1 1.045747e-02 1.440367e-04 ; 4.895996e-01 1.898105e-01 5.182031e-01 9.805991e-02 0.004395 0.008482 True md_ensemble 7 212 234 CA_GB1_26 N_GB1_29 1 4.165136e-03 2.219914e-05 ; 4.179438e-01 1.953719e-01 9.820346e-01 1.668421e-01 0.004395 0.008482 True md_ensemble 7 212 236 CA_GB1_26 CA_GB1_29 1 7.697043e-03 9.131053e-05 ; 4.775654e-01 1.622060e-01 9.955586e-01 2.456025e-01 0.004395 0.006476 True md_ensemble 7 212 238 @@ -30387,28 +30387,28 @@ CG2_GB1_25 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- CA_GB1_26 CE1_GB1_52 1 1.033492e-02 7.767244e-05 ; 4.425816e-01 3.437852e-01 8.865115e-01 7.999813e-04 0.004395 0.010759 True md_ensemble 7 212 452 CA_GB1_26 CE2_GB1_52 1 1.033492e-02 7.767244e-05 ; 4.425816e-01 3.437852e-01 8.865115e-01 7.999813e-04 0.004395 0.010759 True md_ensemble 7 212 453 CA_GB1_26 CZ_GB1_52 1 1.139550e-02 9.826373e-05 ; 4.528385e-01 3.303798e-01 6.836556e-01 1.029450e-03 0.004395 0.010759 True md_ensemble 7 212 454 - CB_GB1_26 C_GB1_26 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 214 + CB_GB1_26 C_GB1_26 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 214 CB_GB1_26 O_GB1_26 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 215 - CB_GB1_26 N_GB1_27 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 216 - CB_GB1_26 CA_GB1_27 1 0.000000e+00 2.373774e-05 ; 3.668160e-01 -2.373774e-05 1.000000e+00 9.999927e-01 0.004395 0.001132 True md_ensemble 4 213 218 - CB_GB1_26 CB_GB1_27 1 0.000000e+00 6.852505e-06 ; 3.307367e-01 -6.852505e-06 8.986091e-01 4.934544e-01 0.004395 0.001132 True md_ensemble 5 213 219 + CB_GB1_26 N_GB1_27 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 216 + CB_GB1_26 CA_GB1_27 1 0.000000e+00 2.373773e-05 ; 3.668160e-01 -2.373773e-05 1.000000e+00 9.999927e-01 0.004395 0.001132 True md_ensemble 4 213 218 + CB_GB1_26 CB_GB1_27 1 0.000000e+00 6.852422e-06 ; 3.307364e-01 -6.852422e-06 8.986091e-01 4.934544e-01 0.004395 0.001132 True md_ensemble 5 213 219 CB_GB1_26 CG_GB1_27 1 0.000000e+00 1.151981e-05 ; 3.453680e-01 -1.151981e-05 3.629370e-03 3.332487e-01 0.004395 0.001132 True md_ensemble 6 213 220 - CB_GB1_26 CD_GB1_27 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 221 + CB_GB1_26 CD_GB1_27 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 221 CB_GB1_26 OE1_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 222 CB_GB1_26 OE2_GB1_27 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 223 - CB_GB1_26 C_GB1_27 1 0.000000e+00 5.791276e-06 ; 3.261316e-01 -5.791276e-06 8.679012e-03 2.340565e-01 0.004395 0.001132 True md_ensemble 5 213 224 + CB_GB1_26 C_GB1_27 1 0.000000e+00 5.791200e-06 ; 3.261312e-01 -5.791200e-06 8.679012e-03 2.340565e-01 0.004395 0.001132 True md_ensemble 5 213 224 CB_GB1_26 O_GB1_27 1 0.000000e+00 1.503992e-06 ; 2.914733e-01 -1.503992e-06 0.000000e+00 5.052655e-02 0.004395 0.001132 True md_ensemble 6 213 225 - CB_GB1_26 N_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 226 - CB_GB1_26 NZ_GB1_28 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 233 - CB_GB1_26 C_GB1_28 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 234 + CB_GB1_26 N_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 226 + CB_GB1_26 NZ_GB1_28 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 233 + CB_GB1_26 C_GB1_28 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 234 CB_GB1_26 O_GB1_28 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 235 - CB_GB1_26 N_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 236 + CB_GB1_26 N_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 236 CB_GB1_26 CB_GB1_29 1 1.021655e-02 1.597548e-04 ; 5.000632e-01 1.633409e-01 3.178867e-01 1.274447e-01 0.004395 0.010759 True md_ensemble 7 213 239 CB_GB1_26 CG1_GB1_29 1 5.571834e-03 4.873701e-05 ; 4.539174e-01 1.592493e-01 8.514064e-02 7.115485e-02 0.004395 0.020717 True md_ensemble 7 213 240 CB_GB1_26 CG2_GB1_29 1 6.725586e-03 5.944260e-05 ; 4.547031e-01 1.902403e-01 2.680453e-01 1.228554e-01 0.004395 0.020717 True md_ensemble 7 213 241 - CB_GB1_26 C_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 242 + CB_GB1_26 C_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 242 CB_GB1_26 O_GB1_29 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 243 - CB_GB1_26 N_GB1_30 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 244 + CB_GB1_26 N_GB1_30 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 244 CB_GB1_26 CB_GB1_30 1 6.891243e-03 9.476788e-05 ; 4.894713e-01 1.252778e-01 2.056111e-02 1.947027e-02 0.004395 0.012151 True md_ensemble 7 213 247 CB_GB1_26 CG_GB1_30 1 8.266334e-03 6.327825e-05 ; 4.439393e-01 2.699675e-01 2.119769e-01 1.378506e-02 0.004395 0.020719 True md_ensemble 7 213 248 CB_GB1_26 CD1_GB1_30 1 4.793752e-03 1.672993e-05 ; 3.894662e-01 3.433975e-01 9.432004e-01 2.220971e-02 0.004395 0.020719 True md_ensemble 7 213 249 @@ -30416,146 +30416,146 @@ CG2_GB1_25 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- CB_GB1_26 CE1_GB1_30 1 2.933209e-03 6.612153e-06 ; 3.621040e-01 3.252992e-01 9.571473e-01 3.200875e-02 0.004395 0.020719 True md_ensemble 7 213 251 CB_GB1_26 CE2_GB1_30 1 2.933209e-03 6.612153e-06 ; 3.621040e-01 3.252992e-01 9.571473e-01 3.200875e-02 0.004395 0.020719 True md_ensemble 7 213 252 CB_GB1_26 CZ_GB1_30 1 5.119567e-03 2.252957e-05 ; 4.048119e-01 2.908396e-01 5.178713e-01 3.377470e-02 0.004395 0.020719 True md_ensemble 7 213 253 - CB_GB1_26 C_GB1_30 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 254 + CB_GB1_26 C_GB1_30 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 254 CB_GB1_26 O_GB1_30 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 255 - CB_GB1_26 N_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 256 - CB_GB1_26 NZ_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 263 - CB_GB1_26 C_GB1_31 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 264 + CB_GB1_26 N_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 256 + CB_GB1_26 NZ_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 263 + CB_GB1_26 C_GB1_31 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 264 CB_GB1_26 O_GB1_31 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 265 - CB_GB1_26 N_GB1_32 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 266 - CB_GB1_26 CD_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 271 + CB_GB1_26 N_GB1_32 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 266 + CB_GB1_26 CD_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 271 CB_GB1_26 OE1_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 272 - CB_GB1_26 NE2_GB1_32 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 273 - CB_GB1_26 C_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 274 + CB_GB1_26 NE2_GB1_32 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 273 + CB_GB1_26 C_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 274 CB_GB1_26 O_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 275 - CB_GB1_26 N_GB1_33 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 276 - CB_GB1_26 OH_GB1_33 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 286 - CB_GB1_26 C_GB1_33 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 287 + CB_GB1_26 N_GB1_33 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 276 + CB_GB1_26 OH_GB1_33 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 286 + CB_GB1_26 C_GB1_33 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 287 CB_GB1_26 O_GB1_33 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 288 - CB_GB1_26 N_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 289 - CB_GB1_26 C_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 293 + CB_GB1_26 N_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 289 + CB_GB1_26 C_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 293 CB_GB1_26 O_GB1_34 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 294 - CB_GB1_26 N_GB1_35 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 295 - CB_GB1_26 CG_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 299 + CB_GB1_26 N_GB1_35 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 295 + CB_GB1_26 CG_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 299 CB_GB1_26 OD1_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 300 - CB_GB1_26 ND2_GB1_35 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 301 - CB_GB1_26 C_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 302 + CB_GB1_26 ND2_GB1_35 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 301 + CB_GB1_26 C_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 302 CB_GB1_26 O_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 303 - CB_GB1_26 N_GB1_36 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 304 - CB_GB1_26 CG_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 308 + CB_GB1_26 N_GB1_36 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 304 + CB_GB1_26 CG_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 308 CB_GB1_26 OD1_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 309 CB_GB1_26 OD2_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 310 - CB_GB1_26 C_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 311 + CB_GB1_26 C_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 311 CB_GB1_26 O_GB1_36 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 312 - CB_GB1_26 N_GB1_37 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 313 - CB_GB1_26 CG_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 317 + CB_GB1_26 N_GB1_37 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 313 + CB_GB1_26 CG_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 317 CB_GB1_26 OD1_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 318 - CB_GB1_26 ND2_GB1_37 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 319 - CB_GB1_26 C_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 320 + CB_GB1_26 ND2_GB1_37 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 319 + CB_GB1_26 C_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 320 CB_GB1_26 O_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 321 - CB_GB1_26 N_GB1_38 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 322 - CB_GB1_26 C_GB1_38 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 325 + CB_GB1_26 N_GB1_38 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 322 + CB_GB1_26 C_GB1_38 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 325 CB_GB1_26 O_GB1_38 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 326 - CB_GB1_26 N_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 327 - CB_GB1_26 C_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 333 + CB_GB1_26 N_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 327 + CB_GB1_26 C_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 333 CB_GB1_26 O_GB1_39 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 334 - CB_GB1_26 N_GB1_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 335 - CB_GB1_26 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 339 + CB_GB1_26 N_GB1_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 335 + CB_GB1_26 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 339 CB_GB1_26 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 340 CB_GB1_26 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 341 - CB_GB1_26 C_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 342 + CB_GB1_26 C_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 342 CB_GB1_26 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 343 - CB_GB1_26 N_GB1_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 344 - CB_GB1_26 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 347 + CB_GB1_26 N_GB1_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 344 + CB_GB1_26 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 347 CB_GB1_26 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 348 - CB_GB1_26 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 349 - CB_GB1_26 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 354 + CB_GB1_26 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 349 + CB_GB1_26 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 354 CB_GB1_26 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 355 CB_GB1_26 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 356 - CB_GB1_26 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 357 + CB_GB1_26 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 357 CB_GB1_26 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 358 - CB_GB1_26 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 359 - CB_GB1_26 NE1_GB1_43 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 366 - CB_GB1_26 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 372 + CB_GB1_26 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 359 + CB_GB1_26 NE1_GB1_43 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 366 + CB_GB1_26 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 372 CB_GB1_26 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 373 - CB_GB1_26 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 374 - CB_GB1_26 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 378 - CB_GB1_26 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 380 + CB_GB1_26 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 374 + CB_GB1_26 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 378 + CB_GB1_26 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 380 CB_GB1_26 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 381 - CB_GB1_26 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 382 - CB_GB1_26 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 392 - CB_GB1_26 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 393 + CB_GB1_26 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 382 + CB_GB1_26 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 392 + CB_GB1_26 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 393 CB_GB1_26 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 394 - CB_GB1_26 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 395 - CB_GB1_26 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 399 + CB_GB1_26 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 395 + CB_GB1_26 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 399 CB_GB1_26 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 400 CB_GB1_26 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 401 - CB_GB1_26 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 402 + CB_GB1_26 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 402 CB_GB1_26 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 403 - CB_GB1_26 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 404 - CB_GB1_26 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 408 + CB_GB1_26 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 404 + CB_GB1_26 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 408 CB_GB1_26 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 409 CB_GB1_26 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 410 - CB_GB1_26 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 411 + CB_GB1_26 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 411 CB_GB1_26 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 412 - CB_GB1_26 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 413 - CB_GB1_26 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 417 + CB_GB1_26 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 413 + CB_GB1_26 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 417 CB_GB1_26 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 418 - CB_GB1_26 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 419 - CB_GB1_26 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 423 - CB_GB1_26 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 425 + CB_GB1_26 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 419 + CB_GB1_26 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 423 + CB_GB1_26 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 425 CB_GB1_26 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 426 - CB_GB1_26 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 427 - CB_GB1_26 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 434 - CB_GB1_26 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 435 + CB_GB1_26 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 427 + CB_GB1_26 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 434 + CB_GB1_26 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 435 CB_GB1_26 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 436 - CB_GB1_26 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 437 - CB_GB1_26 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 441 - CB_GB1_26 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 443 + CB_GB1_26 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 437 + CB_GB1_26 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 441 + CB_GB1_26 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 443 CB_GB1_26 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 444 - CB_GB1_26 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 445 + CB_GB1_26 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 445 CB_GB1_26 CD1_GB1_52 1 8.070470e-03 5.206230e-05 ; 4.314569e-01 3.127622e-01 4.858848e-01 6.137470e-04 0.004395 0.020719 True md_ensemble 7 213 450 CB_GB1_26 CD2_GB1_52 1 8.070470e-03 5.206230e-05 ; 4.314569e-01 3.127622e-01 4.858848e-01 6.137470e-04 0.004395 0.020719 True md_ensemble 7 213 451 CB_GB1_26 CE1_GB1_52 1 2.715684e-03 5.288992e-06 ; 3.533857e-01 3.485987e-01 9.732033e-01 8.835208e-04 0.004395 0.020719 True md_ensemble 7 213 452 CB_GB1_26 CE2_GB1_52 1 2.715684e-03 5.288992e-06 ; 3.533857e-01 3.485987e-01 9.732033e-01 8.835208e-04 0.004395 0.020719 True md_ensemble 7 213 453 CB_GB1_26 CZ_GB1_52 1 4.162043e-03 1.280045e-05 ; 3.813465e-01 3.383202e-01 7.974057e-01 6.563055e-04 0.004395 0.020719 True md_ensemble 7 213 454 - CB_GB1_26 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 455 + CB_GB1_26 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 455 CB_GB1_26 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 456 - CB_GB1_26 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 457 - CB_GB1_26 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 461 - CB_GB1_26 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 463 + CB_GB1_26 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 457 + CB_GB1_26 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 461 + CB_GB1_26 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 463 CB_GB1_26 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 464 - CB_GB1_26 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 465 - CB_GB1_26 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 471 + CB_GB1_26 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 465 + CB_GB1_26 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 471 CB_GB1_26 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 472 - CB_GB1_26 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 473 - CB_GB1_26 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 477 - CB_GB1_26 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 479 + CB_GB1_26 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 473 + CB_GB1_26 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 477 + CB_GB1_26 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 479 CB_GB1_26 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 480 - CB_GB1_26 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 481 - CB_GB1_26 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 486 + CB_GB1_26 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 481 + CB_GB1_26 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 486 CB_GB1_26 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 487 CB_GB1_26 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 488 - CB_GB1_26 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 489 + CB_GB1_26 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 489 CB_GB1_26 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 490 CB_GB1_26 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 213 491 - C_GB1_26 CB_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 219 - C_GB1_26 CG_GB1_27 1 0.000000e+00 6.339689e-06 ; 3.285998e-01 -6.339689e-06 9.986589e-01 9.995632e-01 0.004395 0.001132 True md_ensemble 4 214 220 + C_GB1_26 CB_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 219 + C_GB1_26 CG_GB1_27 1 0.000000e+00 6.339582e-06 ; 3.285994e-01 -6.339582e-06 9.986589e-01 9.995632e-01 0.004395 0.001132 True md_ensemble 4 214 220 C_GB1_26 CD_GB1_27 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 0.000000e+00 1.214648e-01 0.004395 0.001132 True md_ensemble 5 214 221 C_GB1_26 OE1_GB1_27 1 0.000000e+00 6.694014e-07 ; 2.724597e-01 -6.694014e-07 0.000000e+00 1.597170e-02 0.004395 0.001132 True md_ensemble 6 214 222 C_GB1_26 OE2_GB1_27 1 0.000000e+00 6.694014e-07 ; 2.724597e-01 -6.694014e-07 0.000000e+00 1.757406e-02 0.004395 0.001132 True md_ensemble 6 214 223 - C_GB1_26 O_GB1_27 1 0.000000e+00 7.036790e-07 ; 2.735959e-01 -7.036790e-07 9.999042e-01 8.508445e-01 0.004395 0.001132 True md_ensemble 4 214 225 - C_GB1_26 N_GB1_28 1 0.000000e+00 1.469632e-06 ; 2.909125e-01 -1.469632e-06 1.000000e+00 9.744612e-01 0.004395 0.001132 True md_ensemble 4 214 226 - C_GB1_26 CA_GB1_28 1 0.000000e+00 1.146452e-05 ; 3.452296e-01 -1.146452e-05 1.000000e+00 8.783819e-01 0.004395 0.001132 True md_ensemble 5 214 228 - C_GB1_26 CB_GB1_28 1 0.000000e+00 3.644168e-06 ; 3.137821e-01 -3.644168e-06 7.007776e-01 2.761155e-01 0.004395 0.001132 True md_ensemble 6 214 229 - C_GB1_26 CG_GB1_28 1 0.000000e+00 7.249854e-06 ; 3.322940e-01 -7.249854e-06 4.566759e-02 1.902679e-01 0.004395 0.001132 True md_ensemble 7 214 230 - C_GB1_26 CD_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 231 - C_GB1_26 CE_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 232 + C_GB1_26 O_GB1_27 1 0.000000e+00 7.036758e-07 ; 2.735958e-01 -7.036758e-07 9.999042e-01 8.508445e-01 0.004395 0.001132 True md_ensemble 4 214 225 + C_GB1_26 N_GB1_28 1 0.000000e+00 1.469612e-06 ; 2.909122e-01 -1.469612e-06 1.000000e+00 9.744612e-01 0.004395 0.001132 True md_ensemble 4 214 226 + C_GB1_26 CA_GB1_28 1 0.000000e+00 1.146446e-05 ; 3.452294e-01 -1.146446e-05 1.000000e+00 8.783819e-01 0.004395 0.001132 True md_ensemble 5 214 228 + C_GB1_26 CB_GB1_28 1 0.000000e+00 3.644107e-06 ; 3.137817e-01 -3.644107e-06 7.007776e-01 2.761155e-01 0.004395 0.001132 True md_ensemble 6 214 229 + C_GB1_26 CG_GB1_28 1 0.000000e+00 7.249732e-06 ; 3.322935e-01 -7.249732e-06 4.566759e-02 1.902679e-01 0.004395 0.001132 True md_ensemble 7 214 230 + C_GB1_26 CD_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 231 + C_GB1_26 CE_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 232 C_GB1_26 C_GB1_28 1 1.801992e-03 9.128717e-06 ; 4.144220e-01 8.892743e-02 9.152102e-01 1.632796e-01 0.004395 0.001132 True md_ensemble 6 214 234 C_GB1_26 N_GB1_29 1 1.405965e-03 2.467343e-06 ; 3.473035e-01 2.002901e-01 9.970963e-01 2.103027e-01 0.004395 0.011584 True md_ensemble 7 214 236 C_GB1_26 CA_GB1_29 1 3.979728e-03 2.157489e-05 ; 4.191304e-01 1.835263e-01 9.973344e-01 2.131733e-01 0.004395 0.008482 True md_ensemble 7 214 238 C_GB1_26 CB_GB1_29 1 1.386397e-03 5.768910e-06 ; 4.010523e-01 8.329549e-02 9.925560e-01 1.975039e-01 0.004395 0.001132 True md_ensemble 7 214 239 - C_GB1_26 CG1_GB1_29 1 0.000000e+00 4.249967e-06 ; 3.178292e-01 -4.249967e-06 1.775320e-01 7.678361e-02 0.004395 0.001132 True md_ensemble 7 214 240 + C_GB1_26 CG1_GB1_29 1 0.000000e+00 4.249912e-06 ; 3.178289e-01 -4.249912e-06 1.775320e-01 7.678361e-02 0.004395 0.001132 True md_ensemble 7 214 240 C_GB1_26 CG2_GB1_29 1 8.147700e-04 2.079659e-06 ; 3.696802e-01 7.980275e-02 7.604724e-01 1.619220e-01 0.004395 0.001132 True md_ensemble 7 214 241 C_GB1_26 C_GB1_29 1 6.335433e-03 3.986240e-05 ; 4.296662e-01 2.517266e-01 3.460314e-01 2.692947e-02 0.004395 0.011584 True md_ensemble 7 214 242 C_GB1_26 N_GB1_30 1 3.331713e-03 8.599029e-06 ; 3.703653e-01 3.227200e-01 9.593730e-01 1.885749e-02 0.004395 0.011584 True md_ensemble 7 214 244 @@ -30567,68 +30567,68 @@ CG2_GB1_25 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- C_GB1_26 CE1_GB1_30 1 3.805643e-03 1.152891e-05 ; 3.803879e-01 3.140565e-01 9.014070e-01 2.757866e-02 0.004395 0.015243 True md_ensemble 7 214 251 C_GB1_26 CE2_GB1_30 1 3.805643e-03 1.152891e-05 ; 3.803879e-01 3.140565e-01 9.014070e-01 2.757866e-02 0.004395 0.015243 True md_ensemble 7 214 252 C_GB1_26 CZ_GB1_30 1 4.888641e-03 2.646951e-05 ; 4.190440e-01 2.257201e-01 1.293230e-01 2.192510e-02 0.004395 0.015243 True md_ensemble 7 214 253 - C_GB1_26 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 259 - C_GB1_26 CG_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 260 - C_GB1_26 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 261 - C_GB1_26 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 262 - C_GB1_26 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 269 - C_GB1_26 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 270 - C_GB1_26 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 279 - C_GB1_26 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 292 - C_GB1_26 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 298 - C_GB1_26 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 307 - C_GB1_26 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 316 - C_GB1_26 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 324 - C_GB1_26 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 330 - C_GB1_26 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 331 - C_GB1_26 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 332 - C_GB1_26 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 338 - C_GB1_26 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 346 - C_GB1_26 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 352 - C_GB1_26 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 353 - C_GB1_26 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 362 - C_GB1_26 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 377 - C_GB1_26 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 379 - C_GB1_26 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 385 - C_GB1_26 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 398 - C_GB1_26 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 407 - C_GB1_26 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 416 - C_GB1_26 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 422 - C_GB1_26 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 424 - C_GB1_26 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 430 - C_GB1_26 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 431 - C_GB1_26 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 432 - C_GB1_26 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 433 - C_GB1_26 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 440 - C_GB1_26 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 442 - C_GB1_26 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 448 + C_GB1_26 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 259 + C_GB1_26 CG_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 260 + C_GB1_26 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 261 + C_GB1_26 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 262 + C_GB1_26 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 269 + C_GB1_26 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 270 + C_GB1_26 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 279 + C_GB1_26 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 292 + C_GB1_26 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 298 + C_GB1_26 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 307 + C_GB1_26 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 316 + C_GB1_26 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 324 + C_GB1_26 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 330 + C_GB1_26 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 331 + C_GB1_26 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 332 + C_GB1_26 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 338 + C_GB1_26 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 346 + C_GB1_26 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 352 + C_GB1_26 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 353 + C_GB1_26 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 362 + C_GB1_26 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 377 + C_GB1_26 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 379 + C_GB1_26 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 385 + C_GB1_26 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 398 + C_GB1_26 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 407 + C_GB1_26 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 416 + C_GB1_26 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 422 + C_GB1_26 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 424 + C_GB1_26 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 430 + C_GB1_26 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 431 + C_GB1_26 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 432 + C_GB1_26 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 433 + C_GB1_26 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 440 + C_GB1_26 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 442 + C_GB1_26 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 448 C_GB1_26 CD1_GB1_52 1 5.226008e-03 3.171964e-05 ; 4.270968e-01 2.152543e-01 7.340306e-02 1.125286e-04 0.004395 0.015243 True md_ensemble 7 214 450 C_GB1_26 CD2_GB1_52 1 5.226008e-03 3.171964e-05 ; 4.270968e-01 2.152543e-01 7.340306e-02 1.125286e-04 0.004395 0.015243 True md_ensemble 7 214 451 C_GB1_26 CE1_GB1_52 1 4.471384e-03 1.494144e-05 ; 3.866563e-01 3.345273e-01 7.408853e-01 2.116146e-04 0.004395 0.015243 True md_ensemble 7 214 452 C_GB1_26 CE2_GB1_52 1 4.471384e-03 1.494144e-05 ; 3.866563e-01 3.345273e-01 7.408853e-01 2.116146e-04 0.004395 0.015243 True md_ensemble 7 214 453 C_GB1_26 CZ_GB1_52 1 4.378924e-03 1.483286e-05 ; 3.875338e-01 3.231839e-01 5.946522e-01 4.590569e-04 0.004395 0.015243 True md_ensemble 7 214 454 - C_GB1_26 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 460 - C_GB1_26 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 462 - C_GB1_26 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 468 - C_GB1_26 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 469 - C_GB1_26 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 470 - C_GB1_26 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 476 - C_GB1_26 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 478 - C_GB1_26 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 484 - C_GB1_26 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 485 + C_GB1_26 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 460 + C_GB1_26 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 462 + C_GB1_26 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 468 + C_GB1_26 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 469 + C_GB1_26 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 470 + C_GB1_26 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 476 + C_GB1_26 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 478 + C_GB1_26 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 484 + C_GB1_26 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 214 485 O_GB1_26 O_GB1_26 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 215 215 O_GB1_26 H_GB1_27 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 215 217 - O_GB1_26 CB_GB1_27 1 0.000000e+00 2.015623e-06 ; 2.986729e-01 -2.015623e-06 9.999951e-01 9.999786e-01 0.004395 0.001132 True md_ensemble 4 215 219 + O_GB1_26 CB_GB1_27 1 0.000000e+00 2.015616e-06 ; 2.986728e-01 -2.015616e-06 9.999951e-01 9.999786e-01 0.004395 0.001132 True md_ensemble 4 215 219 O_GB1_26 CG_GB1_27 1 0.000000e+00 2.015656e-06 ; 2.986733e-01 -2.015656e-06 1.387777e-03 6.025499e-01 0.004395 0.001132 True md_ensemble 5 215 220 O_GB1_26 CD_GB1_27 1 0.000000e+00 8.269429e-07 ; 2.773009e-01 -8.269429e-07 0.000000e+00 3.396464e-02 0.004395 0.001132 True md_ensemble 6 215 221 O_GB1_26 OE1_GB1_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 215 222 O_GB1_26 OE2_GB1_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 215 223 - O_GB1_26 C_GB1_27 1 0.000000e+00 8.225271e-07 ; 2.771772e-01 -8.225271e-07 9.999965e-01 9.946566e-01 0.004395 0.001132 True md_ensemble 4 215 224 + O_GB1_26 C_GB1_27 1 0.000000e+00 8.225233e-07 ; 2.771771e-01 -8.225233e-07 9.999965e-01 9.946566e-01 0.004395 0.001132 True md_ensemble 4 215 224 O_GB1_26 O_GB1_27 1 0.000000e+00 1.242111e-06 ; 2.868633e-01 -1.242111e-06 9.999936e-01 8.280678e-01 0.004395 0.001132 True md_ensemble 5 215 225 O_GB1_26 N_GB1_28 1 0.000000e+00 1.349050e-06 ; 2.888444e-01 -1.349050e-06 9.999986e-01 8.993651e-01 0.004395 0.001132 True md_ensemble 5 215 226 - O_GB1_26 H_GB1_28 1 0.000000e+00 1.608507e-08 ; 1.996933e-01 -1.608507e-08 1.641557e-01 2.008189e-01 0.004395 0.001132 True md_ensemble 6 215 227 - O_GB1_26 CA_GB1_28 1 0.000000e+00 2.515657e-06 ; 3.042397e-01 -2.515657e-06 9.991206e-01 6.047929e-01 0.004395 0.001132 True md_ensemble 6 215 228 - O_GB1_26 CB_GB1_28 1 0.000000e+00 2.201081e-06 ; 3.008717e-01 -2.201081e-06 3.972654e-02 1.317189e-01 0.004395 0.007862 True md_ensemble 7 215 229 + O_GB1_26 H_GB1_28 1 0.000000e+00 1.608533e-08 ; 1.996936e-01 -1.608533e-08 1.641557e-01 2.008189e-01 0.004395 0.001132 True md_ensemble 6 215 227 + O_GB1_26 CA_GB1_28 1 0.000000e+00 2.515677e-06 ; 3.042399e-01 -2.515677e-06 9.991206e-01 6.047929e-01 0.004395 0.001132 True md_ensemble 6 215 228 + O_GB1_26 CB_GB1_28 1 0.000000e+00 2.201073e-06 ; 3.008716e-01 -2.201073e-06 3.972654e-02 1.317189e-01 0.004395 0.007862 True md_ensemble 7 215 229 O_GB1_26 CG_GB1_28 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 3.451197e-03 1.540440e-01 0.004395 0.007862 True md_ensemble 7 215 230 O_GB1_26 CD_GB1_28 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.856296e-02 0.004395 0.007862 True md_ensemble 7 215 231 O_GB1_26 CE_GB1_28 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.445134e-02 0.004395 0.007862 True md_ensemble 7 215 232 @@ -30772,24 +30772,24 @@ CG2_GB1_25 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- O_GB1_26 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 215 488 O_GB1_26 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 215 490 O_GB1_26 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 215 491 - N_GB1_27 CB_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 219 - N_GB1_27 CG_GB1_27 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 220 - N_GB1_27 CD_GB1_27 1 0.000000e+00 2.563294e-06 ; 3.047157e-01 -2.563294e-06 7.031355e-02 7.699430e-01 0.004395 0.001132 True md_ensemble 4 216 221 + N_GB1_27 CB_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 219 + N_GB1_27 CG_GB1_27 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 220 + N_GB1_27 CD_GB1_27 1 0.000000e+00 2.563258e-06 ; 3.047154e-01 -2.563258e-06 7.031355e-02 7.699430e-01 0.004395 0.001132 True md_ensemble 4 216 221 N_GB1_27 OE1_GB1_27 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 2.832390e-03 1.803032e-01 0.004395 0.001132 True md_ensemble 5 216 222 N_GB1_27 OE2_GB1_27 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 2.206695e-03 1.871797e-01 0.004395 0.001132 True md_ensemble 5 216 223 - N_GB1_27 CA_GB1_28 1 0.000000e+00 7.574590e-06 ; 3.335095e-01 -7.574590e-06 1.000000e+00 9.999466e-01 0.004395 0.001132 True md_ensemble 4 216 228 - N_GB1_27 CB_GB1_28 1 0.000000e+00 2.626839e-06 ; 3.053382e-01 -2.626839e-06 7.042313e-01 4.188070e-01 0.004395 0.001132 True md_ensemble 5 216 229 - N_GB1_27 CG_GB1_28 1 0.000000e+00 4.205519e-06 ; 3.175509e-01 -4.205519e-06 6.969425e-02 2.137165e-01 0.004395 0.001132 True md_ensemble 6 216 230 - N_GB1_27 CD_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 231 - N_GB1_27 CE_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 232 + N_GB1_27 CA_GB1_28 1 0.000000e+00 7.574578e-06 ; 3.335095e-01 -7.574578e-06 1.000000e+00 9.999466e-01 0.004395 0.001132 True md_ensemble 4 216 228 + N_GB1_27 CB_GB1_28 1 0.000000e+00 2.626804e-06 ; 3.053378e-01 -2.626804e-06 7.042313e-01 4.188070e-01 0.004395 0.001132 True md_ensemble 5 216 229 + N_GB1_27 CG_GB1_28 1 0.000000e+00 4.205464e-06 ; 3.175505e-01 -4.205464e-06 6.969425e-02 2.137165e-01 0.004395 0.001132 True md_ensemble 6 216 230 + N_GB1_27 CD_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 231 + N_GB1_27 CE_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 232 N_GB1_27 NZ_GB1_28 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.895080e-03 0.004395 0.001132 True md_ensemble 7 216 233 - N_GB1_27 C_GB1_28 1 0.000000e+00 1.308289e-06 ; 2.881069e-01 -1.308289e-06 2.113047e-01 7.878449e-02 0.004395 0.001132 True md_ensemble 5 216 234 + N_GB1_27 C_GB1_28 1 0.000000e+00 1.308270e-06 ; 2.881065e-01 -1.308270e-06 2.113047e-01 7.878449e-02 0.004395 0.001132 True md_ensemble 5 216 234 N_GB1_27 O_GB1_28 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 0.000000e+00 9.709969e-02 0.004395 0.001132 True md_ensemble 6 216 235 N_GB1_27 N_GB1_29 1 1.217254e-03 4.037267e-06 ; 3.861752e-01 9.175189e-02 5.193446e-01 8.771836e-02 0.004395 0.001132 True md_ensemble 6 216 236 N_GB1_27 CA_GB1_29 1 9.479794e-03 1.029212e-04 ; 4.705629e-01 2.182895e-01 2.847228e-01 3.102287e-02 0.004395 0.008482 True md_ensemble 7 216 238 N_GB1_27 CB_GB1_29 1 4.140010e-03 4.438543e-05 ; 4.695767e-01 9.653888e-02 1.789992e-01 2.755429e-02 0.004395 0.001132 True md_ensemble 7 216 239 - N_GB1_27 CG1_GB1_29 1 0.000000e+00 2.759515e-06 ; 3.065945e-01 -2.759515e-06 1.248357e-02 1.853155e-02 0.004395 0.001132 True md_ensemble 7 216 240 - N_GB1_27 CG2_GB1_29 1 0.000000e+00 2.786529e-06 ; 3.068435e-01 -2.786529e-06 3.136388e-02 4.726047e-02 0.004395 0.001132 True md_ensemble 7 216 241 + N_GB1_27 CG1_GB1_29 1 0.000000e+00 2.759489e-06 ; 3.065943e-01 -2.759489e-06 1.248357e-02 1.853155e-02 0.004395 0.001132 True md_ensemble 7 216 240 + N_GB1_27 CG2_GB1_29 1 0.000000e+00 2.786503e-06 ; 3.068433e-01 -2.786503e-06 3.136388e-02 4.726047e-02 0.004395 0.001132 True md_ensemble 7 216 241 N_GB1_27 N_GB1_30 1 2.277480e-03 8.905714e-06 ; 3.969194e-01 1.456064e-01 1.902916e-02 7.320449e-04 0.004395 0.001132 True md_ensemble 7 216 244 N_GB1_27 CA_GB1_30 1 1.206564e-02 1.347950e-04 ; 4.728106e-01 2.700019e-01 2.121184e-01 5.140595e-03 0.004395 0.008482 True md_ensemble 7 216 246 N_GB1_27 CB_GB1_30 1 5.060884e-03 3.034181e-05 ; 4.262220e-01 2.110334e-01 6.922424e-01 1.158201e-02 0.004395 0.001132 True md_ensemble 7 216 247 @@ -30799,82 +30799,82 @@ CG2_GB1_25 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- N_GB1_27 CE1_GB1_30 1 3.549737e-03 1.473141e-05 ; 4.008741e-01 2.138395e-01 7.141750e-02 1.134490e-02 0.004395 0.015244 True md_ensemble 7 216 251 N_GB1_27 CE2_GB1_30 1 3.549737e-03 1.473141e-05 ; 4.008741e-01 2.138395e-01 7.141750e-02 1.134490e-02 0.004395 0.015244 True md_ensemble 7 216 252 N_GB1_27 N_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 2.312532e-05 0.004395 0.001132 True md_ensemble 7 216 256 - N_GB1_27 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 259 - N_GB1_27 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 260 - N_GB1_27 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 261 - N_GB1_27 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 262 + N_GB1_27 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 259 + N_GB1_27 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 260 + N_GB1_27 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 261 + N_GB1_27 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 262 N_GB1_27 NZ_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 8.997788e-04 0.004395 0.001132 True md_ensemble 7 216 263 N_GB1_27 N_GB1_32 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 216 266 - N_GB1_27 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 269 - N_GB1_27 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 270 + N_GB1_27 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 269 + N_GB1_27 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 270 N_GB1_27 N_GB1_33 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 216 276 - N_GB1_27 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 279 + N_GB1_27 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 279 N_GB1_27 N_GB1_34 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 216 289 - N_GB1_27 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 292 + N_GB1_27 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 292 N_GB1_27 N_GB1_35 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 216 295 - N_GB1_27 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 298 + N_GB1_27 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 298 N_GB1_27 N_GB1_36 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 216 304 - N_GB1_27 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 307 + N_GB1_27 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 307 N_GB1_27 N_GB1_37 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 216 313 - N_GB1_27 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 316 + N_GB1_27 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 316 N_GB1_27 N_GB1_38 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 216 322 - N_GB1_27 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 324 + N_GB1_27 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 324 N_GB1_27 N_GB1_39 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 3.232758e-05 0.004395 0.001132 True md_ensemble 7 216 327 - N_GB1_27 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 330 - N_GB1_27 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 331 - N_GB1_27 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 332 + N_GB1_27 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 330 + N_GB1_27 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 331 + N_GB1_27 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 332 N_GB1_27 N_GB1_40 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 216 335 - N_GB1_27 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 338 + N_GB1_27 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 338 N_GB1_27 N_GB1_41 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 216 344 - N_GB1_27 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 346 + N_GB1_27 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 346 N_GB1_27 N_GB1_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 216 349 - N_GB1_27 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 352 - N_GB1_27 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 353 + N_GB1_27 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 352 + N_GB1_27 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 353 N_GB1_27 N_GB1_43 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 216 359 - N_GB1_27 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 362 + N_GB1_27 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 362 N_GB1_27 N_GB1_44 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 216 374 - N_GB1_27 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 377 - N_GB1_27 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 379 + N_GB1_27 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 377 + N_GB1_27 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 379 N_GB1_27 N_GB1_45 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 216 382 - N_GB1_27 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 385 + N_GB1_27 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 385 N_GB1_27 N_GB1_46 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 216 395 - N_GB1_27 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 398 + N_GB1_27 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 398 N_GB1_27 N_GB1_47 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 216 404 - N_GB1_27 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 407 + N_GB1_27 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 407 N_GB1_27 N_GB1_48 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 216 413 - N_GB1_27 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 416 + N_GB1_27 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 416 N_GB1_27 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 216 419 - N_GB1_27 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 422 - N_GB1_27 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 424 + N_GB1_27 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 422 + N_GB1_27 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 424 N_GB1_27 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 216 427 - N_GB1_27 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 430 - N_GB1_27 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 431 - N_GB1_27 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 432 - N_GB1_27 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 433 + N_GB1_27 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 430 + N_GB1_27 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 431 + N_GB1_27 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 432 + N_GB1_27 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 433 N_GB1_27 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 216 434 N_GB1_27 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 216 437 - N_GB1_27 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 440 - N_GB1_27 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 442 + N_GB1_27 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 440 + N_GB1_27 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 442 N_GB1_27 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 216 445 - N_GB1_27 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 448 + N_GB1_27 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 448 N_GB1_27 CD1_GB1_52 1 3.409209e-03 1.600993e-05 ; 4.092192e-01 1.814921e-01 3.815090e-02 1.417272e-04 0.004395 0.015244 True md_ensemble 7 216 450 N_GB1_27 CD2_GB1_52 1 3.409209e-03 1.600993e-05 ; 4.092192e-01 1.814921e-01 3.815090e-02 1.417272e-04 0.004395 0.015244 True md_ensemble 7 216 451 N_GB1_27 CE1_GB1_52 1 3.305702e-03 8.091481e-06 ; 3.671082e-01 3.376286e-01 7.867890e-01 2.798845e-04 0.004395 0.015244 True md_ensemble 7 216 452 N_GB1_27 CE2_GB1_52 1 3.305702e-03 8.091481e-06 ; 3.671082e-01 3.376286e-01 7.867890e-01 2.798845e-04 0.004395 0.015244 True md_ensemble 7 216 453 N_GB1_27 CZ_GB1_52 1 2.239372e-03 3.648586e-06 ; 3.430308e-01 3.436117e-01 8.835343e-01 2.414496e-04 0.004395 0.015244 True md_ensemble 7 216 454 N_GB1_27 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 216 457 - N_GB1_27 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 460 - N_GB1_27 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 462 + N_GB1_27 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 460 + N_GB1_27 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 462 N_GB1_27 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 216 465 - N_GB1_27 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 468 - N_GB1_27 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 469 - N_GB1_27 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 470 + N_GB1_27 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 468 + N_GB1_27 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 469 + N_GB1_27 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 470 N_GB1_27 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 216 473 - N_GB1_27 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 476 - N_GB1_27 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 478 + N_GB1_27 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 476 + N_GB1_27 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 478 N_GB1_27 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 216 481 - N_GB1_27 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 484 - N_GB1_27 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 485 + N_GB1_27 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 484 + N_GB1_27 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 216 485 H_GB1_27 H_GB1_27 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 217 217 H_GB1_27 OE1_GB1_27 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 217 222 H_GB1_27 OE2_GB1_27 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 217 223 @@ -30960,16 +30960,16 @@ CG2_GB1_25 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- H_GB1_27 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 217 488 H_GB1_27 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 217 490 H_GB1_27 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 217 491 - CA_GB1_27 OE1_GB1_27 1 0.000000e+00 3.360798e-06 ; 3.116725e-01 -3.360798e-06 9.783107e-01 9.778910e-01 0.004395 0.001132 True md_ensemble 4 218 222 - CA_GB1_27 OE2_GB1_27 1 0.000000e+00 3.360798e-06 ; 3.116725e-01 -3.360798e-06 9.783107e-01 9.778910e-01 0.004395 0.001132 True md_ensemble 4 218 223 - CA_GB1_27 CB_GB1_28 1 0.000000e+00 3.181365e-05 ; 3.758773e-01 -3.181365e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 218 229 - CA_GB1_27 CG_GB1_28 1 0.000000e+00 4.247753e-05 ; 3.850422e-01 -4.247753e-05 5.193952e-01 8.545934e-01 0.004395 0.001132 True md_ensemble 5 218 230 - CA_GB1_27 CD_GB1_28 1 0.000000e+00 3.961598e-05 ; 3.828108e-01 -3.961598e-05 5.874484e-02 3.039957e-01 0.004395 0.001132 True md_ensemble 6 218 231 - CA_GB1_27 CE_GB1_28 1 0.000000e+00 3.416875e-05 ; 3.781210e-01 -3.416875e-05 1.370068e-02 8.772863e-02 0.004395 0.007117 True md_ensemble 7 218 232 - CA_GB1_27 C_GB1_28 1 0.000000e+00 1.305187e-05 ; 3.489804e-01 -1.305187e-05 9.999993e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 218 234 - CA_GB1_27 O_GB1_28 1 0.000000e+00 5.210330e-06 ; 3.232713e-01 -5.210330e-06 4.531221e-02 2.997570e-01 0.004395 0.001132 True md_ensemble 5 218 235 - CA_GB1_27 N_GB1_29 1 0.000000e+00 5.775972e-06 ; 3.260597e-01 -5.775972e-06 9.999948e-01 7.624999e-01 0.004395 0.001132 True md_ensemble 5 218 236 - CA_GB1_27 CA_GB1_29 1 0.000000e+00 4.875628e-05 ; 3.894911e-01 -4.875628e-05 9.999988e-01 7.437365e-01 0.004395 0.001132 True md_ensemble 6 218 238 + CA_GB1_27 OE1_GB1_27 1 0.000000e+00 3.360826e-06 ; 3.116727e-01 -3.360826e-06 9.783107e-01 9.778910e-01 0.004395 0.001132 True md_ensemble 4 218 222 + CA_GB1_27 OE2_GB1_27 1 0.000000e+00 3.360826e-06 ; 3.116727e-01 -3.360826e-06 9.783107e-01 9.778910e-01 0.004395 0.001132 True md_ensemble 4 218 223 + CA_GB1_27 CB_GB1_28 1 0.000000e+00 3.181352e-05 ; 3.758772e-01 -3.181352e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 218 229 + CA_GB1_27 CG_GB1_28 1 0.000000e+00 4.247735e-05 ; 3.850420e-01 -4.247735e-05 5.193952e-01 8.545934e-01 0.004395 0.001132 True md_ensemble 5 218 230 + CA_GB1_27 CD_GB1_28 1 0.000000e+00 3.961581e-05 ; 3.828107e-01 -3.961581e-05 5.874484e-02 3.039957e-01 0.004395 0.001132 True md_ensemble 6 218 231 + CA_GB1_27 CE_GB1_28 1 0.000000e+00 3.416861e-05 ; 3.781208e-01 -3.416861e-05 1.370068e-02 8.772863e-02 0.004395 0.007117 True md_ensemble 7 218 232 + CA_GB1_27 C_GB1_28 1 0.000000e+00 1.305181e-05 ; 3.489803e-01 -1.305181e-05 9.999993e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 218 234 + CA_GB1_27 O_GB1_28 1 0.000000e+00 5.210371e-06 ; 3.232715e-01 -5.210371e-06 4.531221e-02 2.997570e-01 0.004395 0.001132 True md_ensemble 5 218 235 + CA_GB1_27 N_GB1_29 1 0.000000e+00 5.775963e-06 ; 3.260596e-01 -5.775963e-06 9.999948e-01 7.624999e-01 0.004395 0.001132 True md_ensemble 5 218 236 + CA_GB1_27 CA_GB1_29 1 0.000000e+00 4.875663e-05 ; 3.894913e-01 -4.875663e-05 9.999988e-01 7.437365e-01 0.004395 0.001132 True md_ensemble 6 218 238 CA_GB1_27 CB_GB1_29 1 1.148780e-02 2.734110e-04 ; 5.363273e-01 1.206695e-01 8.495273e-01 4.688100e-01 0.004395 0.006476 True md_ensemble 7 218 239 CA_GB1_27 CG1_GB1_29 1 6.600752e-03 1.146249e-04 ; 5.088787e-01 9.502719e-02 9.316371e-02 1.403974e-01 0.004395 0.010759 True md_ensemble 7 218 240 CA_GB1_27 CG2_GB1_29 1 7.402252e-03 1.306696e-04 ; 5.102720e-01 1.048319e-01 2.331785e-01 2.905798e-01 0.004395 0.010759 True md_ensemble 7 218 241 @@ -31001,184 +31001,184 @@ CG2_GB1_25 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- CA_GB1_27 CE1_GB1_52 1 4.104207e-03 1.208802e-05 ; 3.786061e-01 3.483722e-01 9.689411e-01 1.230430e-03 0.004395 0.010759 True md_ensemble 7 218 452 CA_GB1_27 CE2_GB1_52 1 4.104207e-03 1.208802e-05 ; 3.786061e-01 3.483722e-01 9.689411e-01 1.230430e-03 0.004395 0.010759 True md_ensemble 7 218 453 CA_GB1_27 CZ_GB1_52 1 3.039554e-03 6.605811e-06 ; 3.599035e-01 3.496500e-01 9.932396e-01 1.231048e-03 0.004395 0.010759 True md_ensemble 7 218 454 - CB_GB1_27 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 221 - CB_GB1_27 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 222 - CB_GB1_27 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 223 - CB_GB1_27 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 224 + CB_GB1_27 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 221 + CB_GB1_27 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 222 + CB_GB1_27 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 223 + CB_GB1_27 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 224 CB_GB1_27 O_GB1_27 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 225 - CB_GB1_27 N_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 226 - CB_GB1_27 CA_GB1_28 1 0.000000e+00 3.181335e-05 ; 3.758770e-01 -3.181335e-05 9.999938e-01 9.999843e-01 0.004395 0.001132 True md_ensemble 4 219 228 - CB_GB1_27 CB_GB1_28 1 0.000000e+00 1.015016e-05 ; 3.417441e-01 -1.015016e-05 9.669757e-01 6.244164e-01 0.004395 0.001132 True md_ensemble 5 219 229 - CB_GB1_27 CG_GB1_28 1 0.000000e+00 1.459702e-05 ; 3.522495e-01 -1.459702e-05 3.984950e-01 3.439655e-01 0.004395 0.001132 True md_ensemble 6 219 230 - CB_GB1_27 CD_GB1_28 1 0.000000e+00 1.608831e-05 ; 3.551165e-01 -1.608831e-05 3.808312e-02 8.014604e-02 0.004395 0.007860 True md_ensemble 7 219 231 - CB_GB1_27 CE_GB1_28 1 0.000000e+00 1.580826e-05 ; 3.545972e-01 -1.580826e-05 1.892963e-02 4.285392e-02 0.004395 0.007860 True md_ensemble 7 219 232 - CB_GB1_27 NZ_GB1_28 1 0.000000e+00 3.716987e-06 ; 3.142999e-01 -3.716987e-06 1.186283e-02 2.299035e-02 0.004395 0.001132 True md_ensemble 7 219 233 - CB_GB1_27 C_GB1_28 1 0.000000e+00 8.171254e-06 ; 3.356235e-01 -8.171254e-06 5.537659e-02 3.454467e-01 0.004395 0.001132 True md_ensemble 5 219 234 + CB_GB1_27 N_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 226 + CB_GB1_27 CA_GB1_28 1 0.000000e+00 3.181322e-05 ; 3.758769e-01 -3.181322e-05 9.999938e-01 9.999843e-01 0.004395 0.001132 True md_ensemble 4 219 228 + CB_GB1_27 CB_GB1_28 1 0.000000e+00 1.015000e-05 ; 3.417437e-01 -1.015000e-05 9.669757e-01 6.244164e-01 0.004395 0.001132 True md_ensemble 5 219 229 + CB_GB1_27 CG_GB1_28 1 0.000000e+00 1.459679e-05 ; 3.522490e-01 -1.459679e-05 3.984950e-01 3.439655e-01 0.004395 0.001132 True md_ensemble 6 219 230 + CB_GB1_27 CD_GB1_28 1 0.000000e+00 1.608805e-05 ; 3.551160e-01 -1.608805e-05 3.808312e-02 8.014604e-02 0.004395 0.007860 True md_ensemble 7 219 231 + CB_GB1_27 CE_GB1_28 1 0.000000e+00 1.580801e-05 ; 3.545968e-01 -1.580801e-05 1.892963e-02 4.285392e-02 0.004395 0.007860 True md_ensemble 7 219 232 + CB_GB1_27 NZ_GB1_28 1 0.000000e+00 3.716938e-06 ; 3.142996e-01 -3.716938e-06 1.186283e-02 2.299035e-02 0.004395 0.001132 True md_ensemble 7 219 233 + CB_GB1_27 C_GB1_28 1 0.000000e+00 8.171117e-06 ; 3.356231e-01 -8.171117e-06 5.537659e-02 3.454467e-01 0.004395 0.001132 True md_ensemble 5 219 234 CB_GB1_27 O_GB1_28 1 0.000000e+00 2.015656e-06 ; 2.986733e-01 -2.015656e-06 0.000000e+00 6.105501e-02 0.004395 0.001132 True md_ensemble 6 219 235 - CB_GB1_27 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 236 - CB_GB1_27 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 242 + CB_GB1_27 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 236 + CB_GB1_27 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 242 CB_GB1_27 O_GB1_29 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.026476e-01 0.004395 0.007862 True md_ensemble 7 219 243 - CB_GB1_27 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 244 + CB_GB1_27 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 244 CB_GB1_27 CA_GB1_30 1 1.018066e-02 2.347809e-04 ; 5.335165e-01 1.103643e-01 1.113165e-01 8.242805e-02 0.004395 0.007117 True md_ensemble 7 219 246 CB_GB1_27 CB_GB1_30 1 1.059343e-02 1.395446e-04 ; 4.859737e-01 2.010482e-01 4.771097e-01 6.728529e-02 0.004395 0.007860 True md_ensemble 7 219 247 CB_GB1_27 CD1_GB1_30 1 5.344423e-03 4.747143e-05 ; 4.550809e-01 1.504213e-01 8.254012e-02 4.801248e-02 0.004395 0.012152 True md_ensemble 7 219 249 CB_GB1_27 CD2_GB1_30 1 5.344423e-03 4.747143e-05 ; 4.550809e-01 1.504213e-01 8.254012e-02 4.801248e-02 0.004395 0.012152 True md_ensemble 7 219 250 - CB_GB1_27 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 254 + CB_GB1_27 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 254 CB_GB1_27 O_GB1_30 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.396196e-03 0.004395 0.007862 True md_ensemble 7 219 255 - CB_GB1_27 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 256 + CB_GB1_27 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 256 CB_GB1_27 CA_GB1_31 1 1.088172e-02 2.466723e-04 ; 5.319904e-01 1.200094e-01 1.732459e-02 1.064111e-02 0.004395 0.007117 True md_ensemble 7 219 258 CB_GB1_27 CB_GB1_31 1 1.299241e-02 1.829886e-04 ; 4.914233e-01 2.306191e-01 1.261084e-01 1.002579e-02 0.004395 0.007860 True md_ensemble 7 219 259 CB_GB1_27 CG_GB1_31 1 1.068443e-02 1.056895e-04 ; 4.633190e-01 2.700291e-01 4.480738e-01 1.659480e-02 0.004395 0.007860 True md_ensemble 7 219 260 CB_GB1_27 CD_GB1_31 1 8.738147e-03 7.542316e-05 ; 4.529124e-01 2.530894e-01 3.593246e-01 1.848021e-02 0.004395 0.007860 True md_ensemble 7 219 261 CB_GB1_27 CE_GB1_31 1 7.581695e-03 5.516819e-05 ; 4.402037e-01 2.604857e-01 4.533350e-01 2.020121e-02 0.004395 0.007860 True md_ensemble 7 219 262 CB_GB1_27 NZ_GB1_31 1 1.738263e-03 8.897704e-06 ; 4.151392e-01 8.489713e-02 6.120524e-02 1.180665e-02 0.004395 0.001132 True md_ensemble 7 219 263 - CB_GB1_27 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 264 + CB_GB1_27 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 264 CB_GB1_27 O_GB1_31 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.903785e-04 0.004395 0.007862 True md_ensemble 7 219 265 - CB_GB1_27 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 266 - CB_GB1_27 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 271 + CB_GB1_27 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 266 + CB_GB1_27 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 271 CB_GB1_27 OE1_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.563150e-03 0.004395 0.007862 True md_ensemble 7 219 272 - CB_GB1_27 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 273 - CB_GB1_27 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 274 + CB_GB1_27 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 273 + CB_GB1_27 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 274 CB_GB1_27 O_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.143292e-03 0.004395 0.007862 True md_ensemble 7 219 275 - CB_GB1_27 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 276 - CB_GB1_27 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 286 - CB_GB1_27 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 287 + CB_GB1_27 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 276 + CB_GB1_27 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 286 + CB_GB1_27 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 287 CB_GB1_27 O_GB1_33 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.053386e-03 0.004395 0.007862 True md_ensemble 7 219 288 - CB_GB1_27 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 289 - CB_GB1_27 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 293 + CB_GB1_27 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 289 + CB_GB1_27 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 293 CB_GB1_27 O_GB1_34 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.823926e-04 0.004395 0.007862 True md_ensemble 7 219 294 - CB_GB1_27 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 295 - CB_GB1_27 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 299 + CB_GB1_27 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 295 + CB_GB1_27 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 299 CB_GB1_27 OD1_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.093977e-03 0.004395 0.007862 True md_ensemble 7 219 300 - CB_GB1_27 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 301 - CB_GB1_27 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 302 + CB_GB1_27 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 301 + CB_GB1_27 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 302 CB_GB1_27 O_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.049845e-04 0.004395 0.007862 True md_ensemble 7 219 303 - CB_GB1_27 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 304 - CB_GB1_27 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 308 - CB_GB1_27 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 309 - CB_GB1_27 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 310 - CB_GB1_27 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 311 + CB_GB1_27 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 304 + CB_GB1_27 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 308 + CB_GB1_27 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 309 + CB_GB1_27 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 310 + CB_GB1_27 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 311 CB_GB1_27 O_GB1_36 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.053866e-05 0.004395 0.007862 True md_ensemble 7 219 312 - CB_GB1_27 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 313 - CB_GB1_27 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 317 + CB_GB1_27 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 313 + CB_GB1_27 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 317 CB_GB1_27 OD1_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.511351e-04 0.004395 0.007862 True md_ensemble 7 219 318 - CB_GB1_27 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 319 - CB_GB1_27 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 320 + CB_GB1_27 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 319 + CB_GB1_27 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 320 CB_GB1_27 O_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.000945e-04 0.004395 0.007862 True md_ensemble 7 219 321 - CB_GB1_27 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 322 - CB_GB1_27 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 325 + CB_GB1_27 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 322 + CB_GB1_27 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 325 CB_GB1_27 O_GB1_38 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.702676e-04 0.004395 0.007862 True md_ensemble 7 219 326 - CB_GB1_27 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 327 - CB_GB1_27 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 333 + CB_GB1_27 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 327 + CB_GB1_27 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 333 CB_GB1_27 O_GB1_39 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.213117e-04 0.004395 0.007862 True md_ensemble 7 219 334 - CB_GB1_27 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 335 - CB_GB1_27 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 339 - CB_GB1_27 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 340 - CB_GB1_27 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 341 - CB_GB1_27 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 342 + CB_GB1_27 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 335 + CB_GB1_27 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 339 + CB_GB1_27 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 340 + CB_GB1_27 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 341 + CB_GB1_27 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 342 CB_GB1_27 O_GB1_40 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000620e-04 0.004395 0.007862 True md_ensemble 7 219 343 - CB_GB1_27 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 344 - CB_GB1_27 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 347 + CB_GB1_27 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 344 + CB_GB1_27 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 347 CB_GB1_27 O_GB1_41 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.133573e-04 0.004395 0.007862 True md_ensemble 7 219 348 - CB_GB1_27 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 349 - CB_GB1_27 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 354 - CB_GB1_27 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 355 - CB_GB1_27 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 356 - CB_GB1_27 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 357 + CB_GB1_27 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 349 + CB_GB1_27 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 354 + CB_GB1_27 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 355 + CB_GB1_27 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 356 + CB_GB1_27 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 357 CB_GB1_27 O_GB1_42 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000641e-04 0.004395 0.007862 True md_ensemble 7 219 358 - CB_GB1_27 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 359 - CB_GB1_27 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 366 + CB_GB1_27 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 359 + CB_GB1_27 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 366 CB_GB1_27 CE3_GB1_43 1 6.852651e-03 4.598231e-05 ; 4.342989e-01 2.553092e-01 1.595493e-01 8.906566e-04 0.004395 0.012152 True md_ensemble 7 219 368 CB_GB1_27 CZ2_GB1_43 1 2.718398e-03 2.531969e-05 ; 4.586952e-01 7.296383e-02 4.654965e-03 2.942818e-03 0.004395 0.012152 True md_ensemble 7 219 369 CB_GB1_27 CZ3_GB1_43 1 4.356556e-03 1.480785e-05 ; 3.877556e-01 3.204310e-01 5.637529e-01 2.457453e-03 0.004395 0.012152 True md_ensemble 7 219 370 CB_GB1_27 CH2_GB1_43 1 5.991853e-03 3.262370e-05 ; 4.194324e-01 2.751243e-01 2.342602e-01 3.598258e-03 0.004395 0.012152 True md_ensemble 7 219 371 - CB_GB1_27 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 372 + CB_GB1_27 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 372 CB_GB1_27 O_GB1_43 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.999079e-04 0.004395 0.007862 True md_ensemble 7 219 373 - CB_GB1_27 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 374 - CB_GB1_27 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 378 - CB_GB1_27 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 380 + CB_GB1_27 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 374 + CB_GB1_27 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 378 + CB_GB1_27 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 380 CB_GB1_27 O_GB1_44 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 219 381 - CB_GB1_27 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 382 - CB_GB1_27 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 392 - CB_GB1_27 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 393 + CB_GB1_27 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 382 + CB_GB1_27 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 392 + CB_GB1_27 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 393 CB_GB1_27 O_GB1_45 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.000295e-04 0.004395 0.007862 True md_ensemble 7 219 394 - CB_GB1_27 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 395 - CB_GB1_27 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 399 - CB_GB1_27 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 400 - CB_GB1_27 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 401 - CB_GB1_27 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 402 + CB_GB1_27 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 395 + CB_GB1_27 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 399 + CB_GB1_27 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 400 + CB_GB1_27 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 401 + CB_GB1_27 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 402 CB_GB1_27 O_GB1_46 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 219 403 - CB_GB1_27 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 404 - CB_GB1_27 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 408 - CB_GB1_27 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 409 - CB_GB1_27 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 410 - CB_GB1_27 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 411 + CB_GB1_27 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 404 + CB_GB1_27 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 408 + CB_GB1_27 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 409 + CB_GB1_27 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 410 + CB_GB1_27 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 411 CB_GB1_27 O_GB1_47 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.997363e-05 0.004395 0.007862 True md_ensemble 7 219 412 - CB_GB1_27 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 413 - CB_GB1_27 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 417 + CB_GB1_27 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 413 + CB_GB1_27 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 417 CB_GB1_27 O_GB1_48 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 8.895547e-05 0.004395 0.007862 True md_ensemble 7 219 418 - CB_GB1_27 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 419 - CB_GB1_27 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 423 - CB_GB1_27 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 425 + CB_GB1_27 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 419 + CB_GB1_27 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 423 + CB_GB1_27 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 425 CB_GB1_27 O_GB1_49 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.188874e-05 0.004395 0.007862 True md_ensemble 7 219 426 - CB_GB1_27 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 427 - CB_GB1_27 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 434 - CB_GB1_27 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 435 + CB_GB1_27 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 427 + CB_GB1_27 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 434 + CB_GB1_27 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 435 CB_GB1_27 O_GB1_50 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 8.269101e-05 0.004395 0.007862 True md_ensemble 7 219 436 - CB_GB1_27 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 437 - CB_GB1_27 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 441 - CB_GB1_27 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 443 + CB_GB1_27 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 437 + CB_GB1_27 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 441 + CB_GB1_27 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 443 CB_GB1_27 O_GB1_51 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.399018e-05 0.004395 0.007862 True md_ensemble 7 219 444 - CB_GB1_27 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 445 + CB_GB1_27 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 445 CB_GB1_27 CG_GB1_52 1 8.785655e-03 8.203752e-05 ; 4.588877e-01 2.352208e-01 1.080916e-01 4.499716e-04 0.004395 0.012152 True md_ensemble 7 219 449 CB_GB1_27 CD1_GB1_52 1 7.505341e-03 4.209004e-05 ; 4.215038e-01 3.345812e-01 7.416606e-01 6.645603e-04 0.004395 0.012152 True md_ensemble 7 219 450 CB_GB1_27 CD2_GB1_52 1 7.505341e-03 4.209004e-05 ; 4.215038e-01 3.345812e-01 7.416606e-01 6.645603e-04 0.004395 0.012152 True md_ensemble 7 219 451 CB_GB1_27 CE1_GB1_52 1 2.356925e-03 3.982777e-06 ; 3.451226e-01 3.486948e-01 9.750183e-01 1.389867e-03 0.004395 0.012152 True md_ensemble 7 219 452 CB_GB1_27 CE2_GB1_52 1 2.356925e-03 3.982777e-06 ; 3.451226e-01 3.486948e-01 9.750183e-01 1.389867e-03 0.004395 0.012152 True md_ensemble 7 219 453 CB_GB1_27 CZ_GB1_52 1 2.354950e-03 3.967189e-06 ; 3.449453e-01 3.494783e-01 9.899397e-01 1.511991e-03 0.004395 0.012152 True md_ensemble 7 219 454 - CB_GB1_27 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 455 + CB_GB1_27 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 455 CB_GB1_27 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 219 456 - CB_GB1_27 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 457 - CB_GB1_27 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 461 - CB_GB1_27 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 463 + CB_GB1_27 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 457 + CB_GB1_27 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 461 + CB_GB1_27 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 463 CB_GB1_27 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 219 464 - CB_GB1_27 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 465 - CB_GB1_27 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 471 + CB_GB1_27 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 465 + CB_GB1_27 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 471 CB_GB1_27 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 219 472 - CB_GB1_27 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 473 - CB_GB1_27 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 477 - CB_GB1_27 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 479 + CB_GB1_27 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 473 + CB_GB1_27 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 477 + CB_GB1_27 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 479 CB_GB1_27 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.449802e-04 0.004395 0.007862 True md_ensemble 7 219 480 - CB_GB1_27 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 481 - CB_GB1_27 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 486 - CB_GB1_27 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 487 - CB_GB1_27 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 488 - CB_GB1_27 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 489 - CB_GB1_27 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 490 - CB_GB1_27 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 491 - CG_GB1_27 CD_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 221 - CG_GB1_27 OE1_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 222 - CG_GB1_27 OE2_GB1_27 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 223 - CG_GB1_27 C_GB1_27 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 224 - CG_GB1_27 O_GB1_27 1 0.000000e+00 1.923638e-06 ; 2.975125e-01 -1.923638e-06 9.999965e-01 9.543448e-01 0.004395 0.001132 True md_ensemble 4 220 225 - CG_GB1_27 N_GB1_28 1 0.000000e+00 3.603353e-06 ; 3.134877e-01 -3.603353e-06 9.999859e-01 9.802017e-01 0.004395 0.001132 True md_ensemble 4 220 226 - CG_GB1_27 CA_GB1_28 1 0.000000e+00 2.245596e-05 ; 3.651231e-01 -2.245596e-05 9.992989e-01 7.051581e-01 0.004395 0.001132 True md_ensemble 5 220 228 - CG_GB1_27 CB_GB1_28 1 0.000000e+00 1.433351e-05 ; 3.517151e-01 -1.433351e-05 2.114687e-01 1.398711e-01 0.004395 0.001132 True md_ensemble 6 220 229 + CB_GB1_27 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 481 + CB_GB1_27 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 486 + CB_GB1_27 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 487 + CB_GB1_27 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 488 + CB_GB1_27 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 489 + CB_GB1_27 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 490 + CB_GB1_27 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 219 491 + CG_GB1_27 CD_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 221 + CG_GB1_27 OE1_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 222 + CG_GB1_27 OE2_GB1_27 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 223 + CG_GB1_27 C_GB1_27 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 224 + CG_GB1_27 O_GB1_27 1 0.000000e+00 1.923631e-06 ; 2.975125e-01 -1.923631e-06 9.999965e-01 9.543448e-01 0.004395 0.001132 True md_ensemble 4 220 225 + CG_GB1_27 N_GB1_28 1 0.000000e+00 3.603306e-06 ; 3.134874e-01 -3.603306e-06 9.999859e-01 9.802017e-01 0.004395 0.001132 True md_ensemble 4 220 226 + CG_GB1_27 CA_GB1_28 1 0.000000e+00 2.245586e-05 ; 3.651230e-01 -2.245586e-05 9.992989e-01 7.051581e-01 0.004395 0.001132 True md_ensemble 5 220 228 + CG_GB1_27 CB_GB1_28 1 0.000000e+00 1.433328e-05 ; 3.517147e-01 -1.433328e-05 2.114687e-01 1.398711e-01 0.004395 0.001132 True md_ensemble 6 220 229 CG_GB1_27 CG_GB1_28 1 2.983888e-03 1.653939e-05 ; 4.206842e-01 1.345816e-01 2.162126e-01 1.105852e-01 0.004395 0.007860 True md_ensemble 7 220 230 CG_GB1_27 CD_GB1_28 1 1.569724e-03 6.087649e-06 ; 3.963733e-01 1.011898e-01 4.743469e-02 4.634503e-02 0.004395 0.007860 True md_ensemble 7 220 231 CG_GB1_27 CE_GB1_28 1 1.735344e-03 7.715584e-06 ; 4.055059e-01 9.757588e-02 3.052517e-02 3.198800e-02 0.004395 0.007860 True md_ensemble 7 220 232 - CG_GB1_27 NZ_GB1_28 1 0.000000e+00 3.658330e-06 ; 3.138836e-01 -3.658330e-06 2.236178e-02 1.753280e-02 0.004395 0.001132 True md_ensemble 7 220 233 - CG_GB1_27 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 234 + CG_GB1_27 NZ_GB1_28 1 0.000000e+00 3.658282e-06 ; 3.138832e-01 -3.658282e-06 2.236178e-02 1.753280e-02 0.004395 0.001132 True md_ensemble 7 220 233 + CG_GB1_27 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 234 CG_GB1_27 O_GB1_28 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.865867e-02 0.004395 0.007862 True md_ensemble 7 220 235 - CG_GB1_27 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 236 - CG_GB1_27 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 242 + CG_GB1_27 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 236 + CG_GB1_27 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 242 CG_GB1_27 O_GB1_29 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.277362e-02 0.004395 0.007862 True md_ensemble 7 220 243 - CG_GB1_27 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 244 + CG_GB1_27 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 244 CG_GB1_27 CA_GB1_30 1 9.501391e-03 2.116802e-04 ; 5.304554e-01 1.066189e-01 6.176265e-02 4.917795e-02 0.004395 0.007117 True md_ensemble 7 220 246 CG_GB1_27 CB_GB1_30 1 9.947925e-03 1.288872e-04 ; 4.846329e-01 1.919532e-01 2.603801e-01 4.379969e-02 0.004395 0.007860 True md_ensemble 7 220 247 - CG_GB1_27 CD1_GB1_30 1 0.000000e+00 6.524553e-06 ; 3.293878e-01 -6.524553e-06 7.136895e-03 3.722745e-02 0.004395 0.012152 True md_ensemble 7 220 249 - CG_GB1_27 CD2_GB1_30 1 0.000000e+00 6.524553e-06 ; 3.293878e-01 -6.524553e-06 7.136895e-03 3.722745e-02 0.004395 0.012152 True md_ensemble 7 220 250 - CG_GB1_27 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 254 + CG_GB1_27 CD1_GB1_30 1 0.000000e+00 6.524444e-06 ; 3.293874e-01 -6.524444e-06 7.136895e-03 3.722745e-02 0.004395 0.012152 True md_ensemble 7 220 249 + CG_GB1_27 CD2_GB1_30 1 0.000000e+00 6.524444e-06 ; 3.293874e-01 -6.524444e-06 7.136895e-03 3.722745e-02 0.004395 0.012152 True md_ensemble 7 220 250 + CG_GB1_27 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 254 CG_GB1_27 O_GB1_30 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.019997e-03 0.004395 0.007862 True md_ensemble 7 220 255 CG_GB1_27 N_GB1_31 1 3.784355e-03 2.603374e-05 ; 4.361047e-01 1.375267e-01 2.362290e-02 1.642996e-03 0.004395 0.001132 True md_ensemble 7 220 256 CG_GB1_27 CA_GB1_31 1 2.188487e-02 4.081721e-04 ; 5.149715e-01 2.933490e-01 4.355765e-01 9.294357e-03 0.004395 0.007117 True md_ensemble 7 220 258 @@ -31187,108 +31187,108 @@ CG2_GB1_25 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- CG_GB1_27 CD_GB1_31 1 2.798199e-03 6.742046e-06 ; 3.661442e-01 2.903390e-01 7.024579e-01 1.754987e-02 0.004395 0.007860 True md_ensemble 7 220 261 CG_GB1_27 CE_GB1_31 1 2.022740e-03 3.688184e-06 ; 3.495254e-01 2.773369e-01 6.666678e-01 2.142963e-02 0.004395 0.007860 True md_ensemble 7 220 262 CG_GB1_27 NZ_GB1_31 1 1.304129e-03 2.243357e-06 ; 3.461489e-01 1.895322e-01 4.546154e-01 1.153897e-02 0.004395 0.001132 True md_ensemble 7 220 263 - CG_GB1_27 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 264 + CG_GB1_27 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 264 CG_GB1_27 O_GB1_31 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.177109e-03 0.004395 0.007862 True md_ensemble 7 220 265 - CG_GB1_27 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 266 - CG_GB1_27 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 271 + CG_GB1_27 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 266 + CG_GB1_27 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 271 CG_GB1_27 OE1_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.328222e-03 0.004395 0.007862 True md_ensemble 7 220 272 - CG_GB1_27 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 273 - CG_GB1_27 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 274 + CG_GB1_27 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 273 + CG_GB1_27 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 274 CG_GB1_27 O_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.276068e-03 0.004395 0.007862 True md_ensemble 7 220 275 - CG_GB1_27 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 276 - CG_GB1_27 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 286 - CG_GB1_27 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 287 + CG_GB1_27 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 276 + CG_GB1_27 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 286 + CG_GB1_27 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 287 CG_GB1_27 O_GB1_33 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.745390e-03 0.004395 0.007862 True md_ensemble 7 220 288 - CG_GB1_27 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 289 - CG_GB1_27 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 293 + CG_GB1_27 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 289 + CG_GB1_27 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 293 CG_GB1_27 O_GB1_34 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.334189e-04 0.004395 0.007862 True md_ensemble 7 220 294 - CG_GB1_27 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 295 - CG_GB1_27 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 299 + CG_GB1_27 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 295 + CG_GB1_27 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 299 CG_GB1_27 OD1_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.072104e-03 0.004395 0.007862 True md_ensemble 7 220 300 - CG_GB1_27 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 301 - CG_GB1_27 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 302 + CG_GB1_27 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 301 + CG_GB1_27 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 302 CG_GB1_27 O_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.114352e-04 0.004395 0.007862 True md_ensemble 7 220 303 - CG_GB1_27 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 304 - CG_GB1_27 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 308 - CG_GB1_27 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 309 - CG_GB1_27 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 310 - CG_GB1_27 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 311 + CG_GB1_27 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 304 + CG_GB1_27 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 308 + CG_GB1_27 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 309 + CG_GB1_27 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 310 + CG_GB1_27 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 311 CG_GB1_27 O_GB1_36 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.013135e-04 0.004395 0.007862 True md_ensemble 7 220 312 - CG_GB1_27 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 313 - CG_GB1_27 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 317 + CG_GB1_27 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 313 + CG_GB1_27 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 317 CG_GB1_27 OD1_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.940645e-04 0.004395 0.007862 True md_ensemble 7 220 318 - CG_GB1_27 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 319 - CG_GB1_27 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 320 + CG_GB1_27 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 319 + CG_GB1_27 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 320 CG_GB1_27 O_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.238054e-04 0.004395 0.007862 True md_ensemble 7 220 321 - CG_GB1_27 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 322 - CG_GB1_27 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 325 + CG_GB1_27 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 322 + CG_GB1_27 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 325 CG_GB1_27 O_GB1_38 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.723771e-04 0.004395 0.007862 True md_ensemble 7 220 326 - CG_GB1_27 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 327 - CG_GB1_27 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 333 + CG_GB1_27 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 327 + CG_GB1_27 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 333 CG_GB1_27 O_GB1_39 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.087076e-04 0.004395 0.007862 True md_ensemble 7 220 334 - CG_GB1_27 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 335 - CG_GB1_27 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 339 - CG_GB1_27 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 340 - CG_GB1_27 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 341 - CG_GB1_27 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 342 + CG_GB1_27 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 335 + CG_GB1_27 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 339 + CG_GB1_27 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 340 + CG_GB1_27 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 341 + CG_GB1_27 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 342 CG_GB1_27 O_GB1_40 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.018878e-04 0.004395 0.007862 True md_ensemble 7 220 343 - CG_GB1_27 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 344 - CG_GB1_27 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 347 + CG_GB1_27 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 344 + CG_GB1_27 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 347 CG_GB1_27 O_GB1_41 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.590335e-04 0.004395 0.007862 True md_ensemble 7 220 348 - CG_GB1_27 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 349 - CG_GB1_27 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 354 - CG_GB1_27 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 355 - CG_GB1_27 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 356 - CG_GB1_27 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 357 + CG_GB1_27 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 349 + CG_GB1_27 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 354 + CG_GB1_27 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 355 + CG_GB1_27 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 356 + CG_GB1_27 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 357 CG_GB1_27 O_GB1_42 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.669686e-04 0.004395 0.007862 True md_ensemble 7 220 358 - CG_GB1_27 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 359 + CG_GB1_27 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 359 CG_GB1_27 CB_GB1_43 1 7.204986e-03 9.809755e-05 ; 4.886571e-01 1.322964e-01 1.470201e-02 8.552293e-04 0.004395 0.007860 True md_ensemble 7 220 362 CG_GB1_27 CG_GB1_43 1 3.227690e-03 2.881076e-05 ; 4.554533e-01 9.040012e-02 6.526715e-03 5.984961e-04 0.004395 0.012152 True md_ensemble 7 220 363 CG_GB1_27 CD2_GB1_43 1 8.192029e-03 6.091969e-05 ; 4.418020e-01 2.754009e-01 2.355192e-01 4.837037e-04 0.004395 0.012152 True md_ensemble 7 220 365 - CG_GB1_27 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 366 + CG_GB1_27 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 366 CG_GB1_27 CE2_GB1_43 1 6.728837e-03 6.085984e-05 ; 4.564555e-01 1.859899e-01 4.162619e-02 1.634990e-03 0.004395 0.012152 True md_ensemble 7 220 367 CG_GB1_27 CE3_GB1_43 1 4.191919e-03 1.308362e-05 ; 3.822837e-01 3.357669e-01 7.589027e-01 1.488651e-03 0.004395 0.012152 True md_ensemble 7 220 368 CG_GB1_27 CZ2_GB1_43 1 7.944975e-03 6.137767e-05 ; 4.446173e-01 2.571074e-01 1.652086e-01 3.842368e-03 0.004395 0.012152 True md_ensemble 7 220 369 CG_GB1_27 CZ3_GB1_43 1 2.294717e-03 3.862426e-06 ; 3.448963e-01 3.408301e-01 8.371585e-01 3.353940e-03 0.004395 0.012152 True md_ensemble 7 220 370 CG_GB1_27 CH2_GB1_43 1 4.265017e-03 1.392171e-05 ; 3.851489e-01 3.266547e-01 6.360336e-01 4.747896e-03 0.004395 0.012152 True md_ensemble 7 220 371 - CG_GB1_27 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 372 + CG_GB1_27 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 372 CG_GB1_27 O_GB1_43 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.594591e-04 0.004395 0.007862 True md_ensemble 7 220 373 - CG_GB1_27 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 374 - CG_GB1_27 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 378 - CG_GB1_27 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 380 + CG_GB1_27 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 374 + CG_GB1_27 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 378 + CG_GB1_27 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 380 CG_GB1_27 O_GB1_44 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.847460e-04 0.004395 0.007862 True md_ensemble 7 220 381 - CG_GB1_27 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 382 - CG_GB1_27 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 392 - CG_GB1_27 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 393 + CG_GB1_27 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 382 + CG_GB1_27 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 392 + CG_GB1_27 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 393 CG_GB1_27 O_GB1_45 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.000245e-04 0.004395 0.007862 True md_ensemble 7 220 394 - CG_GB1_27 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 395 - CG_GB1_27 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 399 - CG_GB1_27 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 400 - CG_GB1_27 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 401 - CG_GB1_27 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 402 + CG_GB1_27 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 395 + CG_GB1_27 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 399 + CG_GB1_27 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 400 + CG_GB1_27 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 401 + CG_GB1_27 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 402 CG_GB1_27 O_GB1_46 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.846950e-05 0.004395 0.007862 True md_ensemble 7 220 403 - CG_GB1_27 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 404 - CG_GB1_27 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 408 - CG_GB1_27 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 409 - CG_GB1_27 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 410 - CG_GB1_27 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 411 + CG_GB1_27 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 404 + CG_GB1_27 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 408 + CG_GB1_27 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 409 + CG_GB1_27 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 410 + CG_GB1_27 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 411 CG_GB1_27 O_GB1_47 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 220 412 - CG_GB1_27 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 413 - CG_GB1_27 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 417 + CG_GB1_27 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 413 + CG_GB1_27 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 417 CG_GB1_27 O_GB1_48 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 220 418 - CG_GB1_27 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 419 - CG_GB1_27 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 423 - CG_GB1_27 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 425 + CG_GB1_27 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 419 + CG_GB1_27 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 423 + CG_GB1_27 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 425 CG_GB1_27 O_GB1_49 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.946496e-05 0.004395 0.007862 True md_ensemble 7 220 426 - CG_GB1_27 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 427 - CG_GB1_27 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 434 - CG_GB1_27 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 435 + CG_GB1_27 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 427 + CG_GB1_27 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 434 + CG_GB1_27 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 435 CG_GB1_27 O_GB1_50 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.999261e-04 0.004395 0.007862 True md_ensemble 7 220 436 - CG_GB1_27 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 437 - CG_GB1_27 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 441 - CG_GB1_27 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 443 + CG_GB1_27 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 437 + CG_GB1_27 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 441 + CG_GB1_27 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 443 CG_GB1_27 O_GB1_51 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000443e-04 0.004395 0.007862 True md_ensemble 7 220 444 - CG_GB1_27 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 445 + CG_GB1_27 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 445 CG_GB1_27 CB_GB1_52 1 5.561157e-03 8.455914e-05 ; 4.977362e-01 9.143443e-02 6.658885e-03 6.938427e-04 0.004395 0.007860 True md_ensemble 7 220 448 CG_GB1_27 CG_GB1_52 1 8.375995e-03 7.309185e-05 ; 4.537383e-01 2.399628e-01 1.184976e-01 5.202814e-04 0.004395 0.012152 True md_ensemble 7 220 449 CG_GB1_27 CD1_GB1_52 1 5.673898e-03 2.404075e-05 ; 4.022639e-01 3.347765e-01 7.444727e-01 8.451809e-04 0.004395 0.012152 True md_ensemble 7 220 450 @@ -31296,164 +31296,164 @@ CG2_GB1_25 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- CG_GB1_27 CE1_GB1_52 1 2.493862e-03 4.479963e-06 ; 3.486586e-01 3.470647e-01 9.446936e-01 1.696179e-03 0.004395 0.012152 True md_ensemble 7 220 452 CG_GB1_27 CE2_GB1_52 1 2.493862e-03 4.479963e-06 ; 3.486586e-01 3.470647e-01 9.446936e-01 1.696179e-03 0.004395 0.012152 True md_ensemble 7 220 453 CG_GB1_27 CZ_GB1_52 1 4.180284e-03 1.266190e-05 ; 3.803781e-01 3.450266e-01 9.081013e-01 1.972466e-03 0.004395 0.012152 True md_ensemble 7 220 454 - CG_GB1_27 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 455 + CG_GB1_27 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 455 CG_GB1_27 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.995394e-05 0.004395 0.007862 True md_ensemble 7 220 456 - CG_GB1_27 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 457 - CG_GB1_27 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 461 - CG_GB1_27 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 463 + CG_GB1_27 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 457 + CG_GB1_27 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 461 + CG_GB1_27 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 463 CG_GB1_27 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 220 464 - CG_GB1_27 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 465 - CG_GB1_27 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 471 + CG_GB1_27 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 465 + CG_GB1_27 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 471 CG_GB1_27 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 220 472 - CG_GB1_27 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 473 - CG_GB1_27 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 477 - CG_GB1_27 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 479 + CG_GB1_27 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 473 + CG_GB1_27 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 477 + CG_GB1_27 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 479 CG_GB1_27 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.481060e-04 0.004395 0.007862 True md_ensemble 7 220 480 - CG_GB1_27 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 481 - CG_GB1_27 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 486 - CG_GB1_27 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 487 - CG_GB1_27 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 488 - CG_GB1_27 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 489 - CG_GB1_27 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 490 - CG_GB1_27 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 491 - CD_GB1_27 C_GB1_27 1 0.000000e+00 1.561968e-06 ; 2.923935e-01 -1.561968e-06 9.985715e-01 5.996592e-01 0.004395 0.001132 True md_ensemble 4 221 224 - CD_GB1_27 O_GB1_27 1 0.000000e+00 8.132971e-07 ; 2.769167e-01 -8.132971e-07 1.034874e-01 8.698593e-02 0.004395 0.001132 True md_ensemble 5 221 225 - CD_GB1_27 N_GB1_28 1 0.000000e+00 1.473517e-06 ; 2.909765e-01 -1.473517e-06 7.890965e-02 5.594667e-02 0.004395 0.001132 True md_ensemble 5 221 226 - CD_GB1_27 CA_GB1_28 1 0.000000e+00 1.230814e-05 ; 3.472783e-01 -1.230814e-05 9.099483e-02 3.401271e-02 0.004395 0.001132 True md_ensemble 6 221 228 - CD_GB1_27 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 229 - CD_GB1_27 CG_GB1_28 1 0.000000e+00 6.334108e-06 ; 3.285757e-01 -6.334108e-06 2.710200e-02 2.712523e-02 0.004395 0.001132 True md_ensemble 7 221 230 - CD_GB1_27 CD_GB1_28 1 0.000000e+00 6.280659e-06 ; 3.283438e-01 -6.280659e-06 1.986486e-02 1.144953e-02 0.004395 0.001132 True md_ensemble 7 221 231 - CD_GB1_27 CE_GB1_28 1 0.000000e+00 6.298464e-06 ; 3.284212e-01 -6.298464e-06 1.986169e-02 1.425744e-02 0.004395 0.001132 True md_ensemble 7 221 232 + CG_GB1_27 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 481 + CG_GB1_27 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 486 + CG_GB1_27 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 487 + CG_GB1_27 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 488 + CG_GB1_27 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 489 + CG_GB1_27 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 490 + CG_GB1_27 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 220 491 + CD_GB1_27 C_GB1_27 1 0.000000e+00 1.561941e-06 ; 2.923931e-01 -1.561941e-06 9.985715e-01 5.996592e-01 0.004395 0.001132 True md_ensemble 4 221 224 + CD_GB1_27 O_GB1_27 1 0.000000e+00 8.132933e-07 ; 2.769166e-01 -8.132933e-07 1.034874e-01 8.698593e-02 0.004395 0.001132 True md_ensemble 5 221 225 + CD_GB1_27 N_GB1_28 1 0.000000e+00 1.473496e-06 ; 2.909762e-01 -1.473496e-06 7.890965e-02 5.594667e-02 0.004395 0.001132 True md_ensemble 5 221 226 + CD_GB1_27 CA_GB1_28 1 0.000000e+00 1.230808e-05 ; 3.472782e-01 -1.230808e-05 9.099483e-02 3.401271e-02 0.004395 0.001132 True md_ensemble 6 221 228 + CD_GB1_27 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 229 + CD_GB1_27 CG_GB1_28 1 0.000000e+00 6.334002e-06 ; 3.285753e-01 -6.334002e-06 2.710200e-02 2.712523e-02 0.004395 0.001132 True md_ensemble 7 221 230 + CD_GB1_27 CD_GB1_28 1 0.000000e+00 6.280553e-06 ; 3.283433e-01 -6.280553e-06 1.986486e-02 1.144953e-02 0.004395 0.001132 True md_ensemble 7 221 231 + CD_GB1_27 CE_GB1_28 1 0.000000e+00 6.298358e-06 ; 3.284208e-01 -6.298358e-06 1.986169e-02 1.425744e-02 0.004395 0.001132 True md_ensemble 7 221 232 CD_GB1_27 NZ_GB1_28 1 4.978493e-04 4.422605e-07 ; 3.100488e-01 1.401063e-01 1.710488e-02 1.016774e-02 0.004395 0.011584 True md_ensemble 7 221 233 - CD_GB1_27 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 239 - CD_GB1_27 CG1_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 240 - CD_GB1_27 CG2_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 241 - CD_GB1_27 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 247 - CD_GB1_27 CB_GB1_31 1 0.000000e+00 6.272401e-06 ; 3.283078e-01 -6.272401e-06 1.611060e-02 6.391514e-03 0.004395 0.001132 True md_ensemble 7 221 259 + CD_GB1_27 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 239 + CD_GB1_27 CG1_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 240 + CD_GB1_27 CG2_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 241 + CD_GB1_27 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 247 + CD_GB1_27 CB_GB1_31 1 0.000000e+00 6.272295e-06 ; 3.283073e-01 -6.272295e-06 1.611060e-02 6.391514e-03 0.004395 0.001132 True md_ensemble 7 221 259 CD_GB1_27 CG_GB1_31 1 4.022862e-03 2.408222e-05 ; 4.261151e-01 1.680017e-01 2.974231e-01 1.145883e-02 0.004395 0.001132 True md_ensemble 7 221 260 CD_GB1_27 CD_GB1_31 1 2.497318e-03 8.785953e-06 ; 3.899891e-01 1.774593e-01 4.570251e-01 1.465858e-02 0.004395 0.001132 True md_ensemble 7 221 261 CD_GB1_27 CE_GB1_31 1 1.347737e-03 2.558815e-06 ; 3.518890e-01 1.774644e-01 5.751853e-01 1.844662e-02 0.004395 0.001132 True md_ensemble 7 221 262 CD_GB1_27 NZ_GB1_31 1 9.805097e-04 8.013729e-07 ; 3.057716e-01 2.999226e-01 4.005852e-01 1.224896e-02 0.004395 0.011584 True md_ensemble 7 221 263 - CD_GB1_27 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 269 - CD_GB1_27 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 270 - CD_GB1_27 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 279 - CD_GB1_27 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 292 - CD_GB1_27 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 298 - CD_GB1_27 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 307 - CD_GB1_27 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 316 - CD_GB1_27 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 324 - CD_GB1_27 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 330 - CD_GB1_27 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 331 - CD_GB1_27 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 332 - CD_GB1_27 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 338 - CD_GB1_27 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 346 - CD_GB1_27 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 352 - CD_GB1_27 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 353 + CD_GB1_27 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 269 + CD_GB1_27 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 270 + CD_GB1_27 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 279 + CD_GB1_27 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 292 + CD_GB1_27 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 298 + CD_GB1_27 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 307 + CD_GB1_27 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 316 + CD_GB1_27 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 324 + CD_GB1_27 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 330 + CD_GB1_27 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 331 + CD_GB1_27 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 332 + CD_GB1_27 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 338 + CD_GB1_27 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 346 + CD_GB1_27 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 352 + CD_GB1_27 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 353 CD_GB1_27 CB_GB1_43 1 3.341493e-03 2.747227e-05 ; 4.492544e-01 1.016077e-01 8.110355e-03 1.061235e-03 0.004395 0.001132 True md_ensemble 7 221 362 CD_GB1_27 CD2_GB1_43 1 3.021057e-03 1.707966e-05 ; 4.220722e-01 1.335914e-01 1.507572e-02 6.396594e-04 0.004395 0.015243 True md_ensemble 7 221 365 CD_GB1_27 CE3_GB1_43 1 4.734828e-03 2.048431e-05 ; 4.036635e-01 2.736069e-01 2.274705e-01 1.345977e-03 0.004395 0.015243 True md_ensemble 7 221 368 CD_GB1_27 CZ3_GB1_43 1 4.809920e-03 2.015385e-05 ; 4.015165e-01 2.869840e-01 2.948036e-01 3.286346e-03 0.004395 0.015243 True md_ensemble 7 221 370 CD_GB1_27 CH2_GB1_43 1 3.723756e-03 2.033337e-05 ; 4.196347e-01 1.704877e-01 3.082264e-02 4.406076e-03 0.004395 0.015243 True md_ensemble 7 221 371 - CD_GB1_27 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 377 - CD_GB1_27 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 379 - CD_GB1_27 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 385 - CD_GB1_27 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 398 - CD_GB1_27 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 407 - CD_GB1_27 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 416 - CD_GB1_27 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 422 - CD_GB1_27 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 424 - CD_GB1_27 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 430 - CD_GB1_27 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 431 - CD_GB1_27 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 432 - CD_GB1_27 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 433 - CD_GB1_27 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 440 - CD_GB1_27 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 442 - CD_GB1_27 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 448 + CD_GB1_27 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 377 + CD_GB1_27 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 379 + CD_GB1_27 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 385 + CD_GB1_27 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 398 + CD_GB1_27 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 407 + CD_GB1_27 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 416 + CD_GB1_27 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 422 + CD_GB1_27 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 424 + CD_GB1_27 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 430 + CD_GB1_27 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 431 + CD_GB1_27 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 432 + CD_GB1_27 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 433 + CD_GB1_27 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 440 + CD_GB1_27 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 442 + CD_GB1_27 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 448 CD_GB1_27 CD1_GB1_52 1 4.888609e-03 2.385010e-05 ; 4.118295e-01 2.505074e-01 1.453696e-01 1.304380e-03 0.004395 0.015243 True md_ensemble 7 221 450 CD_GB1_27 CD2_GB1_52 1 4.888609e-03 2.385010e-05 ; 4.118295e-01 2.505074e-01 1.453696e-01 1.304380e-03 0.004395 0.015243 True md_ensemble 7 221 451 CD_GB1_27 CE1_GB1_52 1 3.434736e-03 8.901583e-06 ; 3.706201e-01 3.313291e-01 6.963519e-01 1.869054e-03 0.004395 0.015243 True md_ensemble 7 221 452 CD_GB1_27 CE2_GB1_52 1 3.434736e-03 8.901583e-06 ; 3.706201e-01 3.313291e-01 6.963519e-01 1.869054e-03 0.004395 0.015243 True md_ensemble 7 221 453 CD_GB1_27 CZ_GB1_52 1 4.708396e-03 1.939776e-05 ; 4.003868e-01 2.857159e-01 2.876458e-01 1.674064e-03 0.004395 0.015243 True md_ensemble 7 221 454 - CD_GB1_27 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 460 - CD_GB1_27 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 462 - CD_GB1_27 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 468 - CD_GB1_27 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 469 - CD_GB1_27 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 470 - CD_GB1_27 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 476 - CD_GB1_27 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 478 - CD_GB1_27 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 484 - CD_GB1_27 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 485 + CD_GB1_27 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 460 + CD_GB1_27 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 462 + CD_GB1_27 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 468 + CD_GB1_27 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 469 + CD_GB1_27 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 470 + CD_GB1_27 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 476 + CD_GB1_27 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 478 + CD_GB1_27 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 484 + CD_GB1_27 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 221 485 OE1_GB1_27 OE1_GB1_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 222 OE1_GB1_27 OE2_GB1_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 223 -OE1_GB1_27 C_GB1_27 1 0.000000e+00 6.727907e-07 ; 2.725744e-01 -6.727907e-07 2.320376e-02 2.826706e-02 0.004395 0.001132 True md_ensemble 5 222 224 +OE1_GB1_27 C_GB1_27 1 0.000000e+00 6.727878e-07 ; 2.725743e-01 -6.727878e-07 2.320376e-02 2.826706e-02 0.004395 0.001132 True md_ensemble 5 222 224 OE1_GB1_27 O_GB1_27 1 0.000000e+00 1.520875e-06 ; 2.917446e-01 -1.520875e-06 4.130222e-02 5.521917e-02 0.004395 0.001132 True md_ensemble 6 222 225 OE1_GB1_27 N_GB1_28 1 0.000000e+00 1.491086e-06 ; 2.912641e-01 -1.491086e-06 2.876944e-02 2.282659e-02 0.004395 0.001132 True md_ensemble 6 222 226 OE1_GB1_27 H_GB1_28 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 227 OE1_GB1_27 CA_GB1_28 1 8.329817e-04 2.400600e-06 ; 3.772368e-01 7.225886e-02 4.591790e-03 4.799828e-03 0.004395 0.008483 True md_ensemble 7 222 228 -OE1_GB1_27 CB_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 229 -OE1_GB1_27 CG_GB1_28 1 0.000000e+00 1.631766e-06 ; 2.934606e-01 -1.631766e-06 7.344152e-03 7.413751e-03 0.004395 0.001132 True md_ensemble 7 222 230 -OE1_GB1_27 CD_GB1_28 1 0.000000e+00 1.621362e-06 ; 2.933042e-01 -1.621362e-06 1.022078e-02 3.914471e-03 0.004395 0.001132 True md_ensemble 7 222 231 -OE1_GB1_27 CE_GB1_28 1 0.000000e+00 1.625371e-06 ; 2.933646e-01 -1.625371e-06 1.159239e-02 7.742630e-03 0.004395 0.001132 True md_ensemble 7 222 232 +OE1_GB1_27 CB_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 229 +OE1_GB1_27 CG_GB1_28 1 0.000000e+00 1.631760e-06 ; 2.934605e-01 -1.631760e-06 7.344152e-03 7.413751e-03 0.004395 0.001132 True md_ensemble 7 222 230 +OE1_GB1_27 CD_GB1_28 1 0.000000e+00 1.621357e-06 ; 2.933042e-01 -1.621357e-06 1.022078e-02 3.914471e-03 0.004395 0.001132 True md_ensemble 7 222 231 +OE1_GB1_27 CE_GB1_28 1 0.000000e+00 1.625365e-06 ; 2.933645e-01 -1.625365e-06 1.159239e-02 7.742630e-03 0.004395 0.001132 True md_ensemble 7 222 232 OE1_GB1_27 NZ_GB1_28 1 7.518498e-05 1.254467e-08 ; 2.346324e-01 1.126530e-01 1.004660e-02 6.400721e-03 0.004395 0.011584 True md_ensemble 7 222 233 OE1_GB1_27 O_GB1_28 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 235 OE1_GB1_27 H_GB1_29 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 237 -OE1_GB1_27 CB_GB1_29 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 239 +OE1_GB1_27 CB_GB1_29 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 239 OE1_GB1_27 CG1_GB1_29 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 240 OE1_GB1_27 CG2_GB1_29 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 241 OE1_GB1_27 O_GB1_29 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 243 OE1_GB1_27 H_GB1_30 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 245 -OE1_GB1_27 CB_GB1_30 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 247 +OE1_GB1_27 CB_GB1_30 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 247 OE1_GB1_27 O_GB1_30 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 255 OE1_GB1_27 H_GB1_31 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 257 -OE1_GB1_27 CB_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 259 +OE1_GB1_27 CB_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 259 OE1_GB1_27 CG_GB1_31 1 5.058343e-04 6.842496e-07 ; 3.325582e-01 9.348503e-02 4.928564e-02 8.049442e-03 0.004395 0.001132 True md_ensemble 7 222 260 OE1_GB1_27 CD_GB1_31 1 7.809987e-04 1.026385e-06 ; 3.309609e-01 1.485698e-01 1.859487e-01 1.044086e-02 0.004395 0.001132 True md_ensemble 7 222 261 OE1_GB1_27 CE_GB1_31 1 4.795962e-04 3.570627e-07 ; 3.010543e-01 1.610449e-01 3.055248e-01 1.347022e-02 0.004395 0.001132 True md_ensemble 7 222 262 OE1_GB1_27 NZ_GB1_31 1 1.906007e-04 3.336606e-08 ; 2.365176e-01 2.721974e-01 2.213400e-01 9.027421e-03 0.004395 0.011584 True md_ensemble 7 222 263 OE1_GB1_27 O_GB1_31 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 265 OE1_GB1_27 H_GB1_32 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 267 -OE1_GB1_27 CB_GB1_32 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 269 -OE1_GB1_27 CG_GB1_32 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 270 +OE1_GB1_27 CB_GB1_32 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 269 +OE1_GB1_27 CG_GB1_32 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 270 OE1_GB1_27 OE1_GB1_32 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 272 OE1_GB1_27 O_GB1_32 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 275 OE1_GB1_27 H_GB1_33 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 277 -OE1_GB1_27 CB_GB1_33 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 279 +OE1_GB1_27 CB_GB1_33 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 279 OE1_GB1_27 O_GB1_33 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 288 OE1_GB1_27 H_GB1_34 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 290 OE1_GB1_27 CB_GB1_34 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 292 OE1_GB1_27 O_GB1_34 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 294 OE1_GB1_27 H_GB1_35 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 296 -OE1_GB1_27 CB_GB1_35 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 298 +OE1_GB1_27 CB_GB1_35 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 298 OE1_GB1_27 OD1_GB1_35 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 300 OE1_GB1_27 O_GB1_35 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 303 OE1_GB1_27 H_GB1_36 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 305 -OE1_GB1_27 CB_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 307 +OE1_GB1_27 CB_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 307 OE1_GB1_27 OD1_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 309 OE1_GB1_27 OD2_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 310 OE1_GB1_27 O_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 312 OE1_GB1_27 H_GB1_37 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 314 -OE1_GB1_27 CB_GB1_37 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 316 +OE1_GB1_27 CB_GB1_37 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 316 OE1_GB1_27 OD1_GB1_37 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 318 OE1_GB1_27 O_GB1_37 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 321 OE1_GB1_27 H_GB1_38 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 323 -OE1_GB1_27 CA_GB1_38 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 324 +OE1_GB1_27 CA_GB1_38 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 324 OE1_GB1_27 O_GB1_38 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 326 OE1_GB1_27 H_GB1_39 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 328 -OE1_GB1_27 CB_GB1_39 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 330 +OE1_GB1_27 CB_GB1_39 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 330 OE1_GB1_27 CG1_GB1_39 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 331 OE1_GB1_27 CG2_GB1_39 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 332 OE1_GB1_27 O_GB1_39 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 334 OE1_GB1_27 H_GB1_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 336 -OE1_GB1_27 CB_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 338 +OE1_GB1_27 CB_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 338 OE1_GB1_27 OD1_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 340 OE1_GB1_27 OD2_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 341 OE1_GB1_27 O_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 343 OE1_GB1_27 H_GB1_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 345 -OE1_GB1_27 CA_GB1_41 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 346 +OE1_GB1_27 CA_GB1_41 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 346 OE1_GB1_27 O_GB1_41 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 348 OE1_GB1_27 H_GB1_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 350 -OE1_GB1_27 CB_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 352 -OE1_GB1_27 CG_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 353 +OE1_GB1_27 CB_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 352 +OE1_GB1_27 CG_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 353 OE1_GB1_27 OE1_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 355 OE1_GB1_27 OE2_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 356 OE1_GB1_27 O_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 358 @@ -31464,19 +31464,19 @@ OE1_GB1_27 CE3_GB1_43 1 9.438332e-04 1.139560e-06 ; 3.263175e-01 1.954308e- OE1_GB1_27 CZ3_GB1_43 1 7.860721e-04 9.104981e-07 ; 3.240680e-01 1.696624e-01 3.033353e-02 1.769904e-03 0.004395 0.015244 True md_ensemble 7 222 370 OE1_GB1_27 O_GB1_43 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 373 OE1_GB1_27 H_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 375 -OE1_GB1_27 CB_GB1_44 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 377 +OE1_GB1_27 CB_GB1_44 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 377 OE1_GB1_27 CG2_GB1_44 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 379 OE1_GB1_27 O_GB1_44 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 381 OE1_GB1_27 H_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 383 -OE1_GB1_27 CB_GB1_45 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 385 +OE1_GB1_27 CB_GB1_45 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 385 OE1_GB1_27 O_GB1_45 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 394 OE1_GB1_27 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 396 -OE1_GB1_27 CB_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 398 +OE1_GB1_27 CB_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 398 OE1_GB1_27 OD1_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 400 OE1_GB1_27 OD2_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 401 OE1_GB1_27 O_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 403 OE1_GB1_27 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 405 -OE1_GB1_27 CB_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 407 +OE1_GB1_27 CB_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 407 OE1_GB1_27 OD1_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 409 OE1_GB1_27 OD2_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 410 OE1_GB1_27 O_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 412 @@ -31484,21 +31484,21 @@ OE1_GB1_27 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e- OE1_GB1_27 CB_GB1_48 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 416 OE1_GB1_27 O_GB1_48 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 418 OE1_GB1_27 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 420 -OE1_GB1_27 CB_GB1_49 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 422 +OE1_GB1_27 CB_GB1_49 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 422 OE1_GB1_27 CG2_GB1_49 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 424 OE1_GB1_27 O_GB1_49 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 426 OE1_GB1_27 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 428 -OE1_GB1_27 CB_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 430 -OE1_GB1_27 CG_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 431 -OE1_GB1_27 CD_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 432 -OE1_GB1_27 CE_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 433 +OE1_GB1_27 CB_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 430 +OE1_GB1_27 CG_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 431 +OE1_GB1_27 CD_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 432 +OE1_GB1_27 CE_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 433 OE1_GB1_27 O_GB1_50 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 436 OE1_GB1_27 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 438 -OE1_GB1_27 CB_GB1_51 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 440 +OE1_GB1_27 CB_GB1_51 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 440 OE1_GB1_27 CG2_GB1_51 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 442 OE1_GB1_27 O_GB1_51 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 444 OE1_GB1_27 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 446 -OE1_GB1_27 CB_GB1_52 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 448 +OE1_GB1_27 CB_GB1_52 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 448 OE1_GB1_27 CD1_GB1_52 1 1.557826e-03 3.329965e-06 ; 3.589110e-01 1.821957e-01 3.867475e-02 7.319651e-04 0.004395 0.015244 True md_ensemble 7 222 450 OE1_GB1_27 CD2_GB1_52 1 1.557826e-03 3.329965e-06 ; 3.589110e-01 1.821957e-01 3.867475e-02 7.319651e-04 0.004395 0.015244 True md_ensemble 7 222 451 OE1_GB1_27 CE1_GB1_52 1 1.130424e-03 1.135561e-06 ; 3.164668e-01 2.813275e-01 2.641903e-01 8.508281e-04 0.004395 0.015244 True md_ensemble 7 222 452 @@ -31506,95 +31506,95 @@ OE1_GB1_27 CE2_GB1_52 1 1.130424e-03 1.135561e-06 ; 3.164668e-01 2.813275e- OE1_GB1_27 CZ_GB1_52 1 1.160018e-03 1.562050e-06 ; 3.323061e-01 2.153649e-01 7.356054e-02 1.445949e-03 0.004395 0.015244 True md_ensemble 7 222 454 OE1_GB1_27 O_GB1_52 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 456 OE1_GB1_27 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 458 -OE1_GB1_27 CB_GB1_53 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 460 +OE1_GB1_27 CB_GB1_53 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 460 OE1_GB1_27 CG2_GB1_53 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 462 OE1_GB1_27 O_GB1_53 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 464 OE1_GB1_27 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 466 -OE1_GB1_27 CB_GB1_54 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 468 +OE1_GB1_27 CB_GB1_54 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 468 OE1_GB1_27 CG1_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 469 OE1_GB1_27 CG2_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 470 OE1_GB1_27 O_GB1_54 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 472 OE1_GB1_27 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 474 -OE1_GB1_27 CB_GB1_55 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 476 +OE1_GB1_27 CB_GB1_55 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 476 OE1_GB1_27 CG2_GB1_55 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 478 OE1_GB1_27 O_GB1_55 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 480 OE1_GB1_27 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 482 -OE1_GB1_27 CB_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 484 -OE1_GB1_27 CG_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 485 +OE1_GB1_27 CB_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 484 +OE1_GB1_27 CG_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 485 OE1_GB1_27 OE1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 487 OE1_GB1_27 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 488 OE1_GB1_27 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 490 OE1_GB1_27 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 222 491 OE2_GB1_27 OE2_GB1_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 223 -OE2_GB1_27 C_GB1_27 1 0.000000e+00 6.727907e-07 ; 2.725744e-01 -6.727907e-07 2.320376e-02 2.826706e-02 0.004395 0.001132 True md_ensemble 5 223 224 +OE2_GB1_27 C_GB1_27 1 0.000000e+00 6.727878e-07 ; 2.725743e-01 -6.727878e-07 2.320376e-02 2.826706e-02 0.004395 0.001132 True md_ensemble 5 223 224 OE2_GB1_27 O_GB1_27 1 0.000000e+00 1.520875e-06 ; 2.917446e-01 -1.520875e-06 4.130222e-02 5.521917e-02 0.004395 0.001132 True md_ensemble 6 223 225 OE2_GB1_27 N_GB1_28 1 0.000000e+00 1.491086e-06 ; 2.912641e-01 -1.491086e-06 2.876944e-02 2.282659e-02 0.004395 0.001132 True md_ensemble 6 223 226 OE2_GB1_27 H_GB1_28 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 227 OE2_GB1_27 CA_GB1_28 1 8.329817e-04 2.400600e-06 ; 3.772368e-01 7.225886e-02 4.591790e-03 4.799828e-03 0.004395 0.008483 True md_ensemble 7 223 228 -OE2_GB1_27 CB_GB1_28 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 229 -OE2_GB1_27 CG_GB1_28 1 0.000000e+00 1.631766e-06 ; 2.934606e-01 -1.631766e-06 7.344152e-03 7.413751e-03 0.004395 0.001132 True md_ensemble 7 223 230 -OE2_GB1_27 CD_GB1_28 1 0.000000e+00 1.621362e-06 ; 2.933042e-01 -1.621362e-06 1.022078e-02 3.914471e-03 0.004395 0.001132 True md_ensemble 7 223 231 -OE2_GB1_27 CE_GB1_28 1 0.000000e+00 1.625371e-06 ; 2.933646e-01 -1.625371e-06 1.159239e-02 7.742630e-03 0.004395 0.001132 True md_ensemble 7 223 232 +OE2_GB1_27 CB_GB1_28 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 229 +OE2_GB1_27 CG_GB1_28 1 0.000000e+00 1.631760e-06 ; 2.934605e-01 -1.631760e-06 7.344152e-03 7.413751e-03 0.004395 0.001132 True md_ensemble 7 223 230 +OE2_GB1_27 CD_GB1_28 1 0.000000e+00 1.621357e-06 ; 2.933042e-01 -1.621357e-06 1.022078e-02 3.914471e-03 0.004395 0.001132 True md_ensemble 7 223 231 +OE2_GB1_27 CE_GB1_28 1 0.000000e+00 1.625365e-06 ; 2.933645e-01 -1.625365e-06 1.159239e-02 7.742630e-03 0.004395 0.001132 True md_ensemble 7 223 232 OE2_GB1_27 NZ_GB1_28 1 7.518498e-05 1.254467e-08 ; 2.346324e-01 1.126530e-01 1.004660e-02 6.400721e-03 0.004395 0.011584 True md_ensemble 7 223 233 OE2_GB1_27 O_GB1_28 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 235 OE2_GB1_27 H_GB1_29 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 237 -OE2_GB1_27 CB_GB1_29 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 239 +OE2_GB1_27 CB_GB1_29 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 239 OE2_GB1_27 CG1_GB1_29 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 240 OE2_GB1_27 CG2_GB1_29 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 241 OE2_GB1_27 O_GB1_29 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 243 OE2_GB1_27 H_GB1_30 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 245 -OE2_GB1_27 CB_GB1_30 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 247 +OE2_GB1_27 CB_GB1_30 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 247 OE2_GB1_27 O_GB1_30 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 255 OE2_GB1_27 H_GB1_31 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 257 -OE2_GB1_27 CB_GB1_31 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 259 +OE2_GB1_27 CB_GB1_31 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 259 OE2_GB1_27 CG_GB1_31 1 5.058343e-04 6.842496e-07 ; 3.325582e-01 9.348503e-02 4.928564e-02 8.049442e-03 0.004395 0.001132 True md_ensemble 7 223 260 OE2_GB1_27 CD_GB1_31 1 7.809987e-04 1.026385e-06 ; 3.309609e-01 1.485698e-01 1.859487e-01 1.044086e-02 0.004395 0.001132 True md_ensemble 7 223 261 OE2_GB1_27 CE_GB1_31 1 4.795962e-04 3.570627e-07 ; 3.010543e-01 1.610449e-01 3.055248e-01 1.347022e-02 0.004395 0.001132 True md_ensemble 7 223 262 OE2_GB1_27 NZ_GB1_31 1 1.906007e-04 3.336606e-08 ; 2.365176e-01 2.721974e-01 2.213400e-01 9.027421e-03 0.004395 0.011584 True md_ensemble 7 223 263 OE2_GB1_27 O_GB1_31 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 265 OE2_GB1_27 H_GB1_32 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 267 -OE2_GB1_27 CB_GB1_32 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 269 -OE2_GB1_27 CG_GB1_32 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 270 +OE2_GB1_27 CB_GB1_32 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 269 +OE2_GB1_27 CG_GB1_32 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 270 OE2_GB1_27 OE1_GB1_32 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 272 OE2_GB1_27 O_GB1_32 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 275 OE2_GB1_27 H_GB1_33 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 277 -OE2_GB1_27 CB_GB1_33 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 279 +OE2_GB1_27 CB_GB1_33 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 279 OE2_GB1_27 O_GB1_33 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 288 OE2_GB1_27 H_GB1_34 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 290 OE2_GB1_27 CB_GB1_34 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 292 OE2_GB1_27 O_GB1_34 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 294 OE2_GB1_27 H_GB1_35 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 296 -OE2_GB1_27 CB_GB1_35 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 298 +OE2_GB1_27 CB_GB1_35 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 298 OE2_GB1_27 OD1_GB1_35 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 300 OE2_GB1_27 O_GB1_35 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 303 OE2_GB1_27 H_GB1_36 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 305 -OE2_GB1_27 CB_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 307 +OE2_GB1_27 CB_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 307 OE2_GB1_27 OD1_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 309 OE2_GB1_27 OD2_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 310 OE2_GB1_27 O_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 312 OE2_GB1_27 H_GB1_37 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 314 -OE2_GB1_27 CB_GB1_37 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 316 +OE2_GB1_27 CB_GB1_37 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 316 OE2_GB1_27 OD1_GB1_37 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 318 OE2_GB1_27 O_GB1_37 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 321 OE2_GB1_27 H_GB1_38 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 323 -OE2_GB1_27 CA_GB1_38 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 324 +OE2_GB1_27 CA_GB1_38 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 324 OE2_GB1_27 O_GB1_38 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 326 OE2_GB1_27 H_GB1_39 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 328 -OE2_GB1_27 CB_GB1_39 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 330 +OE2_GB1_27 CB_GB1_39 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 330 OE2_GB1_27 CG1_GB1_39 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 331 OE2_GB1_27 CG2_GB1_39 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 332 OE2_GB1_27 O_GB1_39 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 334 OE2_GB1_27 H_GB1_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 336 -OE2_GB1_27 CB_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 338 +OE2_GB1_27 CB_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 338 OE2_GB1_27 OD1_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 340 OE2_GB1_27 OD2_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 341 OE2_GB1_27 O_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 343 OE2_GB1_27 H_GB1_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 345 -OE2_GB1_27 CA_GB1_41 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 346 +OE2_GB1_27 CA_GB1_41 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 346 OE2_GB1_27 O_GB1_41 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 348 OE2_GB1_27 H_GB1_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 350 -OE2_GB1_27 CB_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 352 -OE2_GB1_27 CG_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 353 +OE2_GB1_27 CB_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 352 +OE2_GB1_27 CG_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 353 OE2_GB1_27 OE1_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 355 OE2_GB1_27 OE2_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 356 OE2_GB1_27 O_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 358 @@ -31605,19 +31605,19 @@ OE2_GB1_27 CE3_GB1_43 1 9.438332e-04 1.139560e-06 ; 3.263175e-01 1.954308e- OE2_GB1_27 CZ3_GB1_43 1 7.860721e-04 9.104981e-07 ; 3.240680e-01 1.696624e-01 3.033353e-02 1.769904e-03 0.004395 0.015244 True md_ensemble 7 223 370 OE2_GB1_27 O_GB1_43 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 373 OE2_GB1_27 H_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 375 -OE2_GB1_27 CB_GB1_44 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 377 +OE2_GB1_27 CB_GB1_44 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 377 OE2_GB1_27 CG2_GB1_44 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 379 OE2_GB1_27 O_GB1_44 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 381 OE2_GB1_27 H_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 383 -OE2_GB1_27 CB_GB1_45 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 385 +OE2_GB1_27 CB_GB1_45 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 385 OE2_GB1_27 O_GB1_45 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 394 OE2_GB1_27 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 396 -OE2_GB1_27 CB_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 398 +OE2_GB1_27 CB_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 398 OE2_GB1_27 OD1_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 400 OE2_GB1_27 OD2_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 401 OE2_GB1_27 O_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 403 OE2_GB1_27 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 405 -OE2_GB1_27 CB_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 407 +OE2_GB1_27 CB_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 407 OE2_GB1_27 OD1_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 409 OE2_GB1_27 OD2_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 410 OE2_GB1_27 O_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 412 @@ -31625,21 +31625,21 @@ OE2_GB1_27 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e- OE2_GB1_27 CB_GB1_48 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 416 OE2_GB1_27 O_GB1_48 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 418 OE2_GB1_27 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 420 -OE2_GB1_27 CB_GB1_49 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 422 +OE2_GB1_27 CB_GB1_49 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 422 OE2_GB1_27 CG2_GB1_49 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 424 OE2_GB1_27 O_GB1_49 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 426 OE2_GB1_27 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 428 -OE2_GB1_27 CB_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 430 -OE2_GB1_27 CG_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 431 -OE2_GB1_27 CD_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 432 -OE2_GB1_27 CE_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 433 +OE2_GB1_27 CB_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 430 +OE2_GB1_27 CG_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 431 +OE2_GB1_27 CD_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 432 +OE2_GB1_27 CE_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 433 OE2_GB1_27 O_GB1_50 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 436 OE2_GB1_27 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 438 -OE2_GB1_27 CB_GB1_51 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 440 +OE2_GB1_27 CB_GB1_51 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 440 OE2_GB1_27 CG2_GB1_51 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 442 OE2_GB1_27 O_GB1_51 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 444 OE2_GB1_27 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 446 -OE2_GB1_27 CB_GB1_52 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 448 +OE2_GB1_27 CB_GB1_52 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 448 OE2_GB1_27 CD1_GB1_52 1 1.557826e-03 3.329965e-06 ; 3.589110e-01 1.821957e-01 3.867475e-02 7.319651e-04 0.004395 0.015244 True md_ensemble 7 223 450 OE2_GB1_27 CD2_GB1_52 1 1.557826e-03 3.329965e-06 ; 3.589110e-01 1.821957e-01 3.867475e-02 7.319651e-04 0.004395 0.015244 True md_ensemble 7 223 451 OE2_GB1_27 CE1_GB1_52 1 1.130424e-03 1.135561e-06 ; 3.164668e-01 2.813275e-01 2.641903e-01 8.508281e-04 0.004395 0.015244 True md_ensemble 7 223 452 @@ -31647,35 +31647,35 @@ OE2_GB1_27 CE2_GB1_52 1 1.130424e-03 1.135561e-06 ; 3.164668e-01 2.813275e- OE2_GB1_27 CZ_GB1_52 1 1.160018e-03 1.562050e-06 ; 3.323061e-01 2.153649e-01 7.356054e-02 1.445949e-03 0.004395 0.015244 True md_ensemble 7 223 454 OE2_GB1_27 O_GB1_52 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 456 OE2_GB1_27 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 458 -OE2_GB1_27 CB_GB1_53 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 460 +OE2_GB1_27 CB_GB1_53 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 460 OE2_GB1_27 CG2_GB1_53 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 462 OE2_GB1_27 O_GB1_53 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 464 OE2_GB1_27 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 466 -OE2_GB1_27 CB_GB1_54 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 468 +OE2_GB1_27 CB_GB1_54 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 468 OE2_GB1_27 CG1_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 469 OE2_GB1_27 CG2_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 470 OE2_GB1_27 O_GB1_54 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 472 OE2_GB1_27 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 474 -OE2_GB1_27 CB_GB1_55 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 476 +OE2_GB1_27 CB_GB1_55 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 476 OE2_GB1_27 CG2_GB1_55 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 478 OE2_GB1_27 O_GB1_55 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 480 OE2_GB1_27 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 482 -OE2_GB1_27 CB_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 484 -OE2_GB1_27 CG_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 485 +OE2_GB1_27 CB_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 484 +OE2_GB1_27 CG_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 485 OE2_GB1_27 OE1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 487 OE2_GB1_27 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 488 OE2_GB1_27 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 490 OE2_GB1_27 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 223 491 - C_GB1_27 CB_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 229 - C_GB1_27 CG_GB1_28 1 0.000000e+00 6.334688e-06 ; 3.285782e-01 -6.334688e-06 9.993127e-01 9.994274e-01 0.004395 0.001132 True md_ensemble 4 224 230 - C_GB1_27 CD_GB1_28 1 0.000000e+00 8.429563e-06 ; 3.364951e-01 -8.429563e-06 7.559040e-02 4.064421e-01 0.004395 0.001132 True md_ensemble 5 224 231 - C_GB1_27 CE_GB1_28 1 0.000000e+00 6.803295e-06 ; 3.305382e-01 -6.803295e-06 8.585322e-03 8.268340e-02 0.004395 0.001132 True md_ensemble 6 224 232 - C_GB1_27 O_GB1_28 1 0.000000e+00 6.855723e-07 ; 2.730022e-01 -6.855723e-07 9.994596e-01 8.285039e-01 0.004395 0.001132 True md_ensemble 4 224 235 - C_GB1_27 N_GB1_29 1 0.000000e+00 1.477002e-06 ; 2.910338e-01 -1.477002e-06 9.999964e-01 9.793441e-01 0.004395 0.001132 True md_ensemble 4 224 236 - C_GB1_27 CA_GB1_29 1 0.000000e+00 1.164748e-05 ; 3.456854e-01 -1.164748e-05 9.999996e-01 8.923992e-01 0.004395 0.001132 True md_ensemble 5 224 238 - C_GB1_27 CB_GB1_29 1 0.000000e+00 8.490080e-06 ; 3.366958e-01 -8.490080e-06 8.067089e-01 4.571968e-01 0.004395 0.001132 True md_ensemble 6 224 239 - C_GB1_27 CG1_GB1_29 1 0.000000e+00 5.168002e-06 ; 3.230516e-01 -5.168002e-06 2.651562e-02 1.200145e-01 0.004395 0.001132 True md_ensemble 7 224 240 - C_GB1_27 CG2_GB1_29 1 0.000000e+00 5.476670e-06 ; 3.246171e-01 -5.476670e-06 5.952173e-02 2.183318e-01 0.004395 0.001132 True md_ensemble 7 224 241 + C_GB1_27 CB_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 229 + C_GB1_27 CG_GB1_28 1 0.000000e+00 6.334581e-06 ; 3.285778e-01 -6.334581e-06 9.993127e-01 9.994274e-01 0.004395 0.001132 True md_ensemble 4 224 230 + C_GB1_27 CD_GB1_28 1 0.000000e+00 8.429421e-06 ; 3.364946e-01 -8.429421e-06 7.559040e-02 4.064421e-01 0.004395 0.001132 True md_ensemble 5 224 231 + C_GB1_27 CE_GB1_28 1 0.000000e+00 6.803181e-06 ; 3.305377e-01 -6.803181e-06 8.585322e-03 8.268340e-02 0.004395 0.001132 True md_ensemble 6 224 232 + C_GB1_27 O_GB1_28 1 0.000000e+00 6.855691e-07 ; 2.730021e-01 -6.855691e-07 9.994596e-01 8.285039e-01 0.004395 0.001132 True md_ensemble 4 224 235 + C_GB1_27 N_GB1_29 1 0.000000e+00 1.476981e-06 ; 2.910335e-01 -1.476981e-06 9.999964e-01 9.793441e-01 0.004395 0.001132 True md_ensemble 4 224 236 + C_GB1_27 CA_GB1_29 1 0.000000e+00 1.164742e-05 ; 3.456852e-01 -1.164742e-05 9.999996e-01 8.923992e-01 0.004395 0.001132 True md_ensemble 5 224 238 + C_GB1_27 CB_GB1_29 1 0.000000e+00 8.490036e-06 ; 3.366956e-01 -8.490036e-06 8.067089e-01 4.571968e-01 0.004395 0.001132 True md_ensemble 6 224 239 + C_GB1_27 CG1_GB1_29 1 0.000000e+00 5.167935e-06 ; 3.230512e-01 -5.167935e-06 2.651562e-02 1.200145e-01 0.004395 0.001132 True md_ensemble 7 224 240 + C_GB1_27 CG2_GB1_29 1 0.000000e+00 5.476599e-06 ; 3.246167e-01 -5.476599e-06 5.952173e-02 2.183318e-01 0.004395 0.001132 True md_ensemble 7 224 241 C_GB1_27 C_GB1_29 1 1.414152e-03 6.488053e-06 ; 4.076334e-01 7.705796e-02 9.638186e-01 2.164329e-01 0.004395 0.001132 True md_ensemble 6 224 242 C_GB1_27 N_GB1_30 1 1.314598e-03 1.925026e-06 ; 3.369824e-01 2.244343e-01 9.999014e-01 1.320747e-01 0.004395 0.011584 True md_ensemble 7 224 244 C_GB1_27 CA_GB1_30 1 3.360970e-03 1.372963e-05 ; 3.998211e-01 2.056887e-01 9.999988e-01 1.391004e-01 0.004395 0.008482 True md_ensemble 7 224 246 @@ -31691,61 +31691,61 @@ OE2_GB1_27 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- C_GB1_27 CD_GB1_31 1 2.563536e-03 1.110269e-05 ; 4.037366e-01 1.479758e-01 4.353399e-01 2.472701e-02 0.004395 0.001132 True md_ensemble 7 224 261 C_GB1_27 CE_GB1_31 1 1.786117e-03 6.229343e-06 ; 3.894234e-01 1.280317e-01 2.597888e-01 2.171964e-02 0.004395 0.001132 True md_ensemble 7 224 262 C_GB1_27 NZ_GB1_31 1 8.357050e-04 1.775155e-06 ; 3.585342e-01 9.835800e-02 7.615245e-03 7.195192e-03 0.004395 0.011584 True md_ensemble 7 224 263 - C_GB1_27 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 269 - C_GB1_27 CG_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 270 - C_GB1_27 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 279 - C_GB1_27 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 292 - C_GB1_27 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 298 - C_GB1_27 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 307 - C_GB1_27 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 316 - C_GB1_27 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 324 - C_GB1_27 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 330 - C_GB1_27 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 331 - C_GB1_27 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 332 - C_GB1_27 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 338 - C_GB1_27 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 346 - C_GB1_27 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 352 - C_GB1_27 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 353 - C_GB1_27 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 362 + C_GB1_27 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 269 + C_GB1_27 CG_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 270 + C_GB1_27 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 279 + C_GB1_27 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 292 + C_GB1_27 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 298 + C_GB1_27 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 307 + C_GB1_27 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 316 + C_GB1_27 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 324 + C_GB1_27 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 330 + C_GB1_27 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 331 + C_GB1_27 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 332 + C_GB1_27 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 338 + C_GB1_27 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 346 + C_GB1_27 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 352 + C_GB1_27 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 353 + C_GB1_27 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 362 C_GB1_27 CZ3_GB1_43 1 5.112642e-03 2.485354e-05 ; 4.115827e-01 2.629314e-01 1.849520e-01 7.750969e-04 0.004395 0.015243 True md_ensemble 7 224 370 C_GB1_27 CH2_GB1_43 1 4.704120e-03 2.035065e-05 ; 4.036609e-01 2.718432e-01 2.198256e-01 8.480064e-04 0.004395 0.015243 True md_ensemble 7 224 371 - C_GB1_27 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 377 - C_GB1_27 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 379 - C_GB1_27 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 385 - C_GB1_27 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 398 - C_GB1_27 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 407 - C_GB1_27 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 416 - C_GB1_27 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 422 - C_GB1_27 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 424 - C_GB1_27 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 430 - C_GB1_27 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 431 - C_GB1_27 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 432 - C_GB1_27 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 433 - C_GB1_27 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 440 - C_GB1_27 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 442 - C_GB1_27 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 448 + C_GB1_27 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 377 + C_GB1_27 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 379 + C_GB1_27 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 385 + C_GB1_27 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 398 + C_GB1_27 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 407 + C_GB1_27 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 416 + C_GB1_27 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 422 + C_GB1_27 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 424 + C_GB1_27 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 430 + C_GB1_27 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 431 + C_GB1_27 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 432 + C_GB1_27 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 433 + C_GB1_27 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 440 + C_GB1_27 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 442 + C_GB1_27 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 448 C_GB1_27 CZ_GB1_52 1 1.985199e-03 1.360081e-05 ; 4.358063e-01 7.244078e-02 4.608010e-03 4.019012e-04 0.004395 0.015243 True md_ensemble 7 224 454 - C_GB1_27 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 460 - C_GB1_27 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 462 - C_GB1_27 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 468 - C_GB1_27 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 469 - C_GB1_27 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 470 - C_GB1_27 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 476 - C_GB1_27 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 478 - C_GB1_27 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 484 - C_GB1_27 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 485 + C_GB1_27 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 460 + C_GB1_27 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 462 + C_GB1_27 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 468 + C_GB1_27 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 469 + C_GB1_27 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 470 + C_GB1_27 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 476 + C_GB1_27 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 478 + C_GB1_27 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 484 + C_GB1_27 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 224 485 O_GB1_27 O_GB1_27 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 225 225 O_GB1_27 H_GB1_28 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 225 227 - O_GB1_27 CB_GB1_28 1 0.000000e+00 2.015636e-06 ; 2.986730e-01 -2.015636e-06 9.999918e-01 9.999816e-01 0.004395 0.001132 True md_ensemble 4 225 229 - O_GB1_27 CG_GB1_28 1 0.000000e+00 2.914682e-06 ; 3.079954e-01 -2.914682e-06 1.808822e-01 6.269036e-01 0.004395 0.001132 True md_ensemble 5 225 230 - O_GB1_27 CD_GB1_28 1 0.000000e+00 2.252880e-06 ; 3.014555e-01 -2.252880e-06 1.436172e-02 1.320524e-01 0.004395 0.001132 True md_ensemble 6 225 231 + O_GB1_27 CB_GB1_28 1 0.000000e+00 2.015628e-06 ; 2.986729e-01 -2.015628e-06 9.999918e-01 9.999816e-01 0.004395 0.001132 True md_ensemble 4 225 229 + O_GB1_27 CG_GB1_28 1 0.000000e+00 2.914671e-06 ; 3.079953e-01 -2.914671e-06 1.808822e-01 6.269036e-01 0.004395 0.001132 True md_ensemble 5 225 230 + O_GB1_27 CD_GB1_28 1 0.000000e+00 2.252872e-06 ; 3.014554e-01 -2.252872e-06 1.436172e-02 1.320524e-01 0.004395 0.001132 True md_ensemble 6 225 231 O_GB1_27 CE_GB1_28 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 2.074700e-04 3.220597e-02 0.004395 0.007862 True md_ensemble 7 225 232 - O_GB1_27 C_GB1_28 1 0.000000e+00 8.221057e-07 ; 2.771654e-01 -8.221057e-07 1.000000e+00 9.941506e-01 0.004395 0.001132 True md_ensemble 4 225 234 + O_GB1_27 C_GB1_28 1 0.000000e+00 8.221019e-07 ; 2.771653e-01 -8.221019e-07 1.000000e+00 9.941506e-01 0.004395 0.001132 True md_ensemble 4 225 234 O_GB1_27 O_GB1_28 1 0.000000e+00 1.226479e-06 ; 2.865607e-01 -1.226479e-06 1.000000e+00 8.176530e-01 0.004395 0.001132 True md_ensemble 5 225 235 O_GB1_27 N_GB1_29 1 0.000000e+00 1.348287e-06 ; 2.888308e-01 -1.348287e-06 1.000000e+00 8.988580e-01 0.004395 0.001132 True md_ensemble 5 225 236 - O_GB1_27 H_GB1_29 1 0.000000e+00 1.703133e-08 ; 2.006469e-01 -1.703133e-08 1.013496e-01 1.989978e-01 0.004395 0.001132 True md_ensemble 6 225 237 - O_GB1_27 CA_GB1_29 1 0.000000e+00 2.437954e-06 ; 3.034453e-01 -2.437954e-06 9.949078e-01 5.818724e-01 0.004395 0.001132 True md_ensemble 6 225 238 - O_GB1_27 CB_GB1_29 1 0.000000e+00 4.593876e-06 ; 3.198968e-01 -4.593876e-06 7.801046e-02 1.840371e-01 0.004395 0.007862 True md_ensemble 7 225 239 + O_GB1_27 H_GB1_29 1 0.000000e+00 1.703160e-08 ; 2.006471e-01 -1.703160e-08 1.013496e-01 1.989978e-01 0.004395 0.001132 True md_ensemble 6 225 237 + O_GB1_27 CA_GB1_29 1 0.000000e+00 2.437974e-06 ; 3.034455e-01 -2.437974e-06 9.949078e-01 5.818724e-01 0.004395 0.001132 True md_ensemble 6 225 238 + O_GB1_27 CB_GB1_29 1 0.000000e+00 4.593912e-06 ; 3.198970e-01 -4.593912e-06 7.801046e-02 1.840371e-01 0.004395 0.007862 True md_ensemble 7 225 239 O_GB1_27 CG1_GB1_29 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 225 240 O_GB1_27 CG2_GB1_29 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 225 241 O_GB1_27 C_GB1_29 1 1.825496e-03 3.748160e-06 ; 3.565109e-01 2.222715e-01 8.862059e-01 1.220694e-01 0.004395 0.011584 True md_ensemble 7 225 242 @@ -31755,8 +31755,8 @@ OE2_GB1_27 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- O_GB1_27 CA_GB1_30 1 9.875303e-04 1.179796e-06 ; 3.257438e-01 2.066493e-01 9.997922e-01 1.365084e-01 0.004395 0.008483 True md_ensemble 7 225 246 O_GB1_27 CB_GB1_30 1 9.810844e-04 1.105909e-06 ; 3.226033e-01 2.175872e-01 9.963999e-01 1.019971e-01 0.004395 0.007862 True md_ensemble 7 225 247 O_GB1_27 CG_GB1_30 1 2.237826e-03 7.624486e-06 ; 3.879098e-01 1.642033e-01 8.804689e-02 4.918528e-02 0.004395 0.015244 True md_ensemble 7 225 248 - O_GB1_27 CD1_GB1_30 1 0.000000e+00 8.682903e-07 ; 2.784307e-01 -8.682903e-07 1.252288e-02 6.252321e-02 0.004395 0.015244 True md_ensemble 7 225 249 - O_GB1_27 CD2_GB1_30 1 0.000000e+00 8.682903e-07 ; 2.784307e-01 -8.682903e-07 1.252288e-02 6.252321e-02 0.004395 0.015244 True md_ensemble 7 225 250 + O_GB1_27 CD1_GB1_30 1 0.000000e+00 8.682863e-07 ; 2.784306e-01 -8.682863e-07 1.252288e-02 6.252321e-02 0.004395 0.015244 True md_ensemble 7 225 249 + O_GB1_27 CD2_GB1_30 1 0.000000e+00 8.682863e-07 ; 2.784306e-01 -8.682863e-07 1.252288e-02 6.252321e-02 0.004395 0.015244 True md_ensemble 7 225 250 O_GB1_27 C_GB1_30 1 1.242426e-03 1.398623e-06 ; 3.225312e-01 2.759181e-01 9.954106e-01 4.847064e-02 0.004395 0.011584 True md_ensemble 7 225 254 O_GB1_27 O_GB1_30 1 1.497918e-03 7.345547e-06 ; 4.121823e-01 7.636458e-02 2.745003e-01 6.247521e-02 0.004395 0.001132 True md_ensemble 7 225 255 O_GB1_27 N_GB1_31 1 2.382808e-04 5.233397e-08 ; 2.456306e-01 2.712280e-01 9.999952e-01 5.332852e-02 0.004395 0.011584 True md_ensemble 7 225 256 @@ -31878,16 +31878,16 @@ OE2_GB1_27 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- O_GB1_27 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 225 488 O_GB1_27 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 225 490 O_GB1_27 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 225 491 - N_GB1_28 CB_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 229 - N_GB1_28 CG_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 230 - N_GB1_28 CD_GB1_28 1 0.000000e+00 3.768990e-06 ; 3.146640e-01 -3.768990e-06 9.288562e-01 9.541300e-01 0.004395 0.001132 True md_ensemble 4 226 231 - N_GB1_28 CE_GB1_28 1 0.000000e+00 4.389368e-06 ; 3.186852e-01 -4.389368e-06 9.494829e-02 2.889828e-01 0.004395 0.001132 True md_ensemble 5 226 232 + N_GB1_28 CB_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 229 + N_GB1_28 CG_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 230 + N_GB1_28 CD_GB1_28 1 0.000000e+00 3.768941e-06 ; 3.146637e-01 -3.768941e-06 9.288562e-01 9.541300e-01 0.004395 0.001132 True md_ensemble 4 226 231 + N_GB1_28 CE_GB1_28 1 0.000000e+00 4.389311e-06 ; 3.186848e-01 -4.389311e-06 9.494829e-02 2.889828e-01 0.004395 0.001132 True md_ensemble 5 226 232 N_GB1_28 NZ_GB1_28 1 0.000000e+00 8.752940e-07 ; 2.786171e-01 -8.752940e-07 1.561620e-03 2.644513e-02 0.004395 0.001132 True md_ensemble 6 226 233 - N_GB1_28 CA_GB1_29 1 0.000000e+00 7.574824e-06 ; 3.335104e-01 -7.574824e-06 1.000000e+00 9.999775e-01 0.004395 0.001132 True md_ensemble 4 226 238 - N_GB1_28 CB_GB1_29 1 0.000000e+00 5.539418e-06 ; 3.249254e-01 -5.539418e-06 9.605242e-01 6.918010e-01 0.004395 0.001132 True md_ensemble 5 226 239 - N_GB1_28 CG1_GB1_29 1 0.000000e+00 3.030544e-06 ; 3.089976e-01 -3.030544e-06 3.035003e-02 1.352081e-01 0.004395 0.001132 True md_ensemble 6 226 240 - N_GB1_28 CG2_GB1_29 1 0.000000e+00 3.239764e-06 ; 3.107214e-01 -3.239764e-06 1.352820e-01 3.164163e-01 0.004395 0.001132 True md_ensemble 6 226 241 - N_GB1_28 C_GB1_29 1 0.000000e+00 9.887399e-07 ; 2.814612e-01 -9.887399e-07 4.723194e-01 1.279178e-01 0.004395 0.001132 True md_ensemble 5 226 242 + N_GB1_28 CA_GB1_29 1 0.000000e+00 7.574812e-06 ; 3.335104e-01 -7.574812e-06 1.000000e+00 9.999775e-01 0.004395 0.001132 True md_ensemble 4 226 238 + N_GB1_28 CB_GB1_29 1 0.000000e+00 5.539409e-06 ; 3.249254e-01 -5.539409e-06 9.605242e-01 6.918010e-01 0.004395 0.001132 True md_ensemble 5 226 239 + N_GB1_28 CG1_GB1_29 1 0.000000e+00 3.030515e-06 ; 3.089973e-01 -3.030515e-06 3.035003e-02 1.352081e-01 0.004395 0.001132 True md_ensemble 6 226 240 + N_GB1_28 CG2_GB1_29 1 0.000000e+00 3.239734e-06 ; 3.107211e-01 -3.239734e-06 1.352820e-01 3.164163e-01 0.004395 0.001132 True md_ensemble 6 226 241 + N_GB1_28 C_GB1_29 1 0.000000e+00 9.887260e-07 ; 2.814609e-01 -9.887260e-07 4.723194e-01 1.279178e-01 0.004395 0.001132 True md_ensemble 5 226 242 N_GB1_28 O_GB1_29 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 0.000000e+00 2.116405e-01 0.004395 0.001132 True md_ensemble 6 226 243 N_GB1_28 N_GB1_30 1 1.540258e-03 4.438924e-06 ; 3.772368e-01 1.336131e-01 8.894819e-01 6.673989e-02 0.004395 0.001132 True md_ensemble 6 226 244 N_GB1_28 CA_GB1_30 1 1.059127e-02 1.050911e-04 ; 4.635569e-01 2.668516e-01 7.718176e-01 3.280800e-02 0.004395 0.008482 True md_ensemble 7 226 246 @@ -31900,71 +31900,71 @@ OE2_GB1_27 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- N_GB1_28 CE_GB1_31 1 1.542432e-03 5.068313e-06 ; 3.855756e-01 1.173515e-01 6.305533e-02 6.484250e-03 0.004395 0.001132 True md_ensemble 7 226 262 N_GB1_28 NZ_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.034195e-03 1.343534e-03 0.004395 0.001132 True md_ensemble 7 226 263 N_GB1_28 N_GB1_32 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.117353e-04 0.004395 0.001132 True md_ensemble 7 226 266 - N_GB1_28 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 269 - N_GB1_28 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 270 + N_GB1_28 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 269 + N_GB1_28 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 270 N_GB1_28 N_GB1_33 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 226 276 - N_GB1_28 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 279 + N_GB1_28 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 279 N_GB1_28 N_GB1_34 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 226 289 - N_GB1_28 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 292 + N_GB1_28 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 292 N_GB1_28 N_GB1_35 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 226 295 - N_GB1_28 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 298 + N_GB1_28 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 298 N_GB1_28 N_GB1_36 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 226 304 - N_GB1_28 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 307 + N_GB1_28 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 307 N_GB1_28 N_GB1_37 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 226 313 - N_GB1_28 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 316 + N_GB1_28 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 316 N_GB1_28 N_GB1_38 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 226 322 - N_GB1_28 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 324 + N_GB1_28 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 324 N_GB1_28 N_GB1_39 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 226 327 - N_GB1_28 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 330 - N_GB1_28 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 331 - N_GB1_28 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 332 + N_GB1_28 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 330 + N_GB1_28 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 331 + N_GB1_28 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 332 N_GB1_28 N_GB1_40 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 226 335 - N_GB1_28 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 338 + N_GB1_28 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 338 N_GB1_28 N_GB1_41 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 226 344 - N_GB1_28 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 346 + N_GB1_28 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 346 N_GB1_28 N_GB1_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 226 349 - N_GB1_28 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 352 - N_GB1_28 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 353 + N_GB1_28 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 352 + N_GB1_28 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 353 N_GB1_28 N_GB1_43 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 226 359 - N_GB1_28 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 362 + N_GB1_28 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 362 N_GB1_28 N_GB1_44 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 226 374 - N_GB1_28 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 377 - N_GB1_28 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 379 + N_GB1_28 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 377 + N_GB1_28 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 379 N_GB1_28 N_GB1_45 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 226 382 - N_GB1_28 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 385 + N_GB1_28 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 385 N_GB1_28 N_GB1_46 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 226 395 - N_GB1_28 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 398 + N_GB1_28 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 398 N_GB1_28 N_GB1_47 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 226 404 - N_GB1_28 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 407 + N_GB1_28 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 407 N_GB1_28 N_GB1_48 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 226 413 - N_GB1_28 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 416 + N_GB1_28 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 416 N_GB1_28 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 226 419 - N_GB1_28 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 422 - N_GB1_28 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 424 + N_GB1_28 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 422 + N_GB1_28 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 424 N_GB1_28 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 226 427 - N_GB1_28 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 430 - N_GB1_28 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 431 - N_GB1_28 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 432 - N_GB1_28 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 433 + N_GB1_28 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 430 + N_GB1_28 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 431 + N_GB1_28 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 432 + N_GB1_28 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 433 N_GB1_28 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 226 434 N_GB1_28 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 226 437 - N_GB1_28 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 440 - N_GB1_28 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 442 + N_GB1_28 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 440 + N_GB1_28 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 442 N_GB1_28 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 226 445 - N_GB1_28 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 448 + N_GB1_28 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 448 N_GB1_28 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 226 457 - N_GB1_28 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 460 - N_GB1_28 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 462 + N_GB1_28 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 460 + N_GB1_28 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 462 N_GB1_28 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 226 465 - N_GB1_28 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 468 - N_GB1_28 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 469 - N_GB1_28 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 470 + N_GB1_28 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 468 + N_GB1_28 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 469 + N_GB1_28 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 470 N_GB1_28 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 226 473 - N_GB1_28 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 476 - N_GB1_28 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 478 + N_GB1_28 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 476 + N_GB1_28 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 478 N_GB1_28 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 226 481 - N_GB1_28 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 484 - N_GB1_28 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 485 + N_GB1_28 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 484 + N_GB1_28 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 226 485 H_GB1_28 H_GB1_28 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 227 227 H_GB1_28 O_GB1_28 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 227 235 H_GB1_28 H_GB1_29 1 0.000000e+00 8.178848e-09 ; 1.887496e-01 -8.178848e-09 9.280916e-01 6.096623e-01 0.004395 0.001132 True md_ensemble 5 227 237 @@ -32046,15 +32046,15 @@ OE2_GB1_27 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- H_GB1_28 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 227 488 H_GB1_28 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 227 490 H_GB1_28 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 227 491 - CA_GB1_28 CE_GB1_28 1 0.000000e+00 3.181374e-05 ; 3.758774e-01 -3.181374e-05 9.999974e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 228 232 - CA_GB1_28 NZ_GB1_28 1 0.000000e+00 9.572126e-06 ; 3.400784e-01 -9.572126e-06 2.028091e-01 4.664570e-01 0.004395 0.001132 True md_ensemble 5 228 233 - CA_GB1_28 CB_GB1_29 1 0.000000e+00 6.555574e-05 ; 3.992202e-01 -6.555574e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 228 239 - CA_GB1_28 CG1_GB1_29 1 0.000000e+00 2.718577e-05 ; 3.709854e-01 -2.718577e-05 4.696894e-01 6.149363e-01 0.004395 0.001132 True md_ensemble 5 228 240 - CA_GB1_28 CG2_GB1_29 1 0.000000e+00 2.345739e-05 ; 3.664530e-01 -2.345739e-05 8.624244e-01 8.506069e-01 0.004395 0.001132 True md_ensemble 5 228 241 - CA_GB1_28 C_GB1_29 1 0.000000e+00 1.305195e-05 ; 3.489806e-01 -1.305195e-05 9.999937e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 228 242 - CA_GB1_28 O_GB1_29 1 0.000000e+00 6.275024e-06 ; 3.283192e-01 -6.275024e-06 7.742476e-02 5.882065e-01 0.004395 0.001132 True md_ensemble 5 228 243 - CA_GB1_28 N_GB1_30 1 0.000000e+00 4.043739e-06 ; 3.165145e-01 -4.043739e-06 1.000000e+00 5.338273e-01 0.004395 0.001132 True md_ensemble 5 228 244 - CA_GB1_28 CA_GB1_30 1 0.000000e+00 3.452887e-05 ; 3.784515e-01 -3.452887e-05 1.000000e+00 5.267101e-01 0.004395 0.001132 True md_ensemble 6 228 246 + CA_GB1_28 CE_GB1_28 1 0.000000e+00 3.181360e-05 ; 3.758773e-01 -3.181360e-05 9.999974e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 228 232 + CA_GB1_28 NZ_GB1_28 1 0.000000e+00 9.572111e-06 ; 3.400783e-01 -9.572111e-06 2.028091e-01 4.664570e-01 0.004395 0.001132 True md_ensemble 5 228 233 + CA_GB1_28 CB_GB1_29 1 0.000000e+00 6.555622e-05 ; 3.992205e-01 -6.555622e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 228 239 + CA_GB1_28 CG1_GB1_29 1 0.000000e+00 2.718575e-05 ; 3.709854e-01 -2.718575e-05 4.696894e-01 6.149363e-01 0.004395 0.001132 True md_ensemble 5 228 240 + CA_GB1_28 CG2_GB1_29 1 0.000000e+00 2.345738e-05 ; 3.664530e-01 -2.345738e-05 8.624244e-01 8.506069e-01 0.004395 0.001132 True md_ensemble 5 228 241 + CA_GB1_28 C_GB1_29 1 0.000000e+00 1.305188e-05 ; 3.489804e-01 -1.305188e-05 9.999937e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 228 242 + CA_GB1_28 O_GB1_29 1 0.000000e+00 6.275074e-06 ; 3.283194e-01 -6.275074e-06 7.742476e-02 5.882065e-01 0.004395 0.001132 True md_ensemble 5 228 243 + CA_GB1_28 N_GB1_30 1 0.000000e+00 4.043733e-06 ; 3.165144e-01 -4.043733e-06 1.000000e+00 5.338273e-01 0.004395 0.001132 True md_ensemble 5 228 244 + CA_GB1_28 CA_GB1_30 1 0.000000e+00 3.452912e-05 ; 3.784517e-01 -3.452912e-05 1.000000e+00 5.267101e-01 0.004395 0.001132 True md_ensemble 6 228 246 CA_GB1_28 CB_GB1_30 1 1.394527e-02 2.866348e-04 ; 5.233798e-01 1.696153e-01 7.218291e-01 1.695026e-01 0.004395 0.007117 True md_ensemble 7 228 247 CA_GB1_28 C_GB1_30 1 1.154901e-02 1.487635e-04 ; 4.841634e-01 2.241472e-01 6.900250e-01 6.711360e-02 0.004395 0.008482 True md_ensemble 7 228 254 CA_GB1_28 N_GB1_31 1 4.094027e-03 1.734073e-05 ; 4.022408e-01 2.416430e-01 9.977529e-01 6.913425e-02 0.004395 0.008482 True md_ensemble 7 228 256 @@ -32072,644 +32072,644 @@ OE2_GB1_27 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- CA_GB1_28 CD_GB1_32 1 1.044916e-02 1.260873e-04 ; 4.789222e-01 2.164869e-01 1.160588e-01 1.309507e-02 0.004395 0.008482 True md_ensemble 7 228 271 CA_GB1_28 OE1_GB1_32 1 3.503138e-03 1.815326e-05 ; 4.159900e-01 1.690051e-01 2.994949e-02 8.098808e-03 0.004395 0.008483 True md_ensemble 7 228 272 CA_GB1_28 NE2_GB1_32 1 5.327753e-03 3.013248e-05 ; 4.220998e-01 2.355012e-01 2.217674e-01 1.730904e-02 0.004395 0.008483 True md_ensemble 7 228 273 - CB_GB1_28 NZ_GB1_28 1 0.000000e+00 3.804409e-06 ; 3.149094e-01 -3.804409e-06 9.202238e-01 9.551326e-01 0.004395 0.001132 True md_ensemble 4 229 233 - CB_GB1_28 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 234 + CB_GB1_28 NZ_GB1_28 1 0.000000e+00 3.804359e-06 ; 3.149090e-01 -3.804359e-06 9.202238e-01 9.551326e-01 0.004395 0.001132 True md_ensemble 4 229 233 + CB_GB1_28 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 234 CB_GB1_28 O_GB1_28 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 235 - CB_GB1_28 N_GB1_29 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 236 - CB_GB1_28 CA_GB1_29 1 0.000000e+00 3.181375e-05 ; 3.758774e-01 -3.181375e-05 9.999968e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 229 238 - CB_GB1_28 CB_GB1_29 1 0.000000e+00 2.897027e-05 ; 3.729561e-01 -2.897027e-05 9.998011e-01 9.104249e-01 0.004395 0.001132 True md_ensemble 5 229 239 - CB_GB1_28 CG1_GB1_29 1 0.000000e+00 1.043783e-05 ; 3.425410e-01 -1.043783e-05 3.535426e-01 2.596193e-01 0.004395 0.001132 True md_ensemble 6 229 240 - CB_GB1_28 CG2_GB1_29 1 0.000000e+00 8.719916e-06 ; 3.374461e-01 -8.719916e-06 6.054971e-01 3.624467e-01 0.004395 0.001132 True md_ensemble 6 229 241 - CB_GB1_28 C_GB1_29 1 0.000000e+00 7.699274e-06 ; 3.339636e-01 -7.699274e-06 6.091260e-02 2.764670e-01 0.004395 0.001132 True md_ensemble 5 229 242 + CB_GB1_28 N_GB1_29 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 236 + CB_GB1_28 CA_GB1_29 1 0.000000e+00 3.181362e-05 ; 3.758773e-01 -3.181362e-05 9.999968e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 229 238 + CB_GB1_28 CB_GB1_29 1 0.000000e+00 2.897015e-05 ; 3.729560e-01 -2.897015e-05 9.998011e-01 9.104249e-01 0.004395 0.001132 True md_ensemble 5 229 239 + CB_GB1_28 CG1_GB1_29 1 0.000000e+00 1.043770e-05 ; 3.425406e-01 -1.043770e-05 3.535426e-01 2.596193e-01 0.004395 0.001132 True md_ensemble 6 229 240 + CB_GB1_28 CG2_GB1_29 1 0.000000e+00 8.719810e-06 ; 3.374457e-01 -8.719810e-06 6.054971e-01 3.624467e-01 0.004395 0.001132 True md_ensemble 6 229 241 + CB_GB1_28 C_GB1_29 1 0.000000e+00 7.699145e-06 ; 3.339631e-01 -7.699145e-06 6.091260e-02 2.764670e-01 0.004395 0.001132 True md_ensemble 5 229 242 CB_GB1_28 O_GB1_29 1 0.000000e+00 2.015656e-06 ; 2.986733e-01 -2.015656e-06 0.000000e+00 1.096492e-01 0.004395 0.001132 True md_ensemble 6 229 243 - CB_GB1_28 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 244 - CB_GB1_28 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 254 + CB_GB1_28 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 244 + CB_GB1_28 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 254 CB_GB1_28 O_GB1_30 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.975159e-02 0.004395 0.007862 True md_ensemble 7 229 255 - CB_GB1_28 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 256 + CB_GB1_28 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 256 CB_GB1_28 CA_GB1_31 1 1.043698e-02 2.413295e-04 ; 5.337517e-01 1.128443e-01 4.895057e-02 3.454597e-02 0.004395 0.007117 True md_ensemble 7 229 258 CB_GB1_28 CB_GB1_31 1 1.051353e-02 1.314281e-04 ; 4.817517e-01 2.102564e-01 3.436127e-01 4.053747e-02 0.004395 0.007860 True md_ensemble 7 229 259 CB_GB1_28 CG_GB1_31 1 6.425012e-03 7.762503e-05 ; 4.790211e-01 1.329493e-01 7.297685e-02 3.852489e-02 0.004395 0.007860 True md_ensemble 7 229 260 CB_GB1_28 CD_GB1_31 1 6.415170e-03 6.625989e-05 ; 4.666670e-01 1.552765e-01 1.055482e-01 3.614580e-02 0.004395 0.007860 True md_ensemble 7 229 261 CB_GB1_28 CE_GB1_31 1 4.314011e-03 3.184107e-05 ; 4.412497e-01 1.461218e-01 7.788078e-02 3.184939e-02 0.004395 0.007860 True md_ensemble 7 229 262 - CB_GB1_28 NZ_GB1_31 1 0.000000e+00 3.702577e-06 ; 3.141982e-01 -3.702577e-06 4.783395e-03 1.199076e-02 0.004395 0.001132 True md_ensemble 7 229 263 - CB_GB1_28 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 264 + CB_GB1_28 NZ_GB1_31 1 0.000000e+00 3.702528e-06 ; 3.141978e-01 -3.702528e-06 4.783395e-03 1.199076e-02 0.004395 0.001132 True md_ensemble 7 229 263 + CB_GB1_28 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 264 CB_GB1_28 O_GB1_31 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.348762e-03 0.004395 0.007862 True md_ensemble 7 229 265 - CB_GB1_28 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 266 + CB_GB1_28 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 266 CB_GB1_28 CG_GB1_32 1 1.014861e-02 1.401324e-04 ; 4.898036e-01 1.837445e-01 6.269935e-02 1.236592e-02 0.004395 0.007860 True md_ensemble 7 229 270 - CB_GB1_28 CD_GB1_32 1 0.000000e+00 6.225382e-06 ; 3.281020e-01 -6.225382e-06 2.789016e-02 1.074781e-02 0.004395 0.001132 True md_ensemble 7 229 271 + CB_GB1_28 CD_GB1_32 1 0.000000e+00 6.225278e-06 ; 3.281015e-01 -6.225278e-06 2.789016e-02 1.074781e-02 0.004395 0.001132 True md_ensemble 7 229 271 CB_GB1_28 OE1_GB1_32 1 1.663266e-03 4.590811e-06 ; 3.745311e-01 1.506517e-01 2.098414e-02 7.643932e-03 0.004395 0.007862 True md_ensemble 7 229 272 CB_GB1_28 NE2_GB1_32 1 2.187211e-03 9.003105e-06 ; 4.003289e-01 1.328400e-01 1.823417e-01 1.388807e-02 0.004395 0.001132 True md_ensemble 7 229 273 - CB_GB1_28 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 274 + CB_GB1_28 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 274 CB_GB1_28 O_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.503861e-04 0.004395 0.007862 True md_ensemble 7 229 275 - CB_GB1_28 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 276 - CB_GB1_28 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 286 - CB_GB1_28 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 287 + CB_GB1_28 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 276 + CB_GB1_28 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 286 + CB_GB1_28 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 287 CB_GB1_28 O_GB1_33 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.381030e-03 0.004395 0.007862 True md_ensemble 7 229 288 - CB_GB1_28 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 289 - CB_GB1_28 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 293 + CB_GB1_28 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 289 + CB_GB1_28 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 293 CB_GB1_28 O_GB1_34 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.158610e-04 0.004395 0.007862 True md_ensemble 7 229 294 - CB_GB1_28 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 295 - CB_GB1_28 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 299 + CB_GB1_28 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 295 + CB_GB1_28 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 299 CB_GB1_28 OD1_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.396258e-03 0.004395 0.007862 True md_ensemble 7 229 300 - CB_GB1_28 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 301 - CB_GB1_28 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 302 + CB_GB1_28 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 301 + CB_GB1_28 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 302 CB_GB1_28 O_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.984685e-05 0.004395 0.007862 True md_ensemble 7 229 303 - CB_GB1_28 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 304 - CB_GB1_28 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 308 - CB_GB1_28 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 309 - CB_GB1_28 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 310 - CB_GB1_28 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 311 + CB_GB1_28 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 304 + CB_GB1_28 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 308 + CB_GB1_28 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 309 + CB_GB1_28 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 310 + CB_GB1_28 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 311 CB_GB1_28 O_GB1_36 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.127660e-04 0.004395 0.007862 True md_ensemble 7 229 312 - CB_GB1_28 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 313 - CB_GB1_28 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 317 + CB_GB1_28 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 313 + CB_GB1_28 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 317 CB_GB1_28 OD1_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.049725e-03 0.004395 0.007862 True md_ensemble 7 229 318 - CB_GB1_28 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 319 - CB_GB1_28 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 320 + CB_GB1_28 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 319 + CB_GB1_28 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 320 CB_GB1_28 O_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.188223e-04 0.004395 0.007862 True md_ensemble 7 229 321 - CB_GB1_28 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 322 - CB_GB1_28 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 325 + CB_GB1_28 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 322 + CB_GB1_28 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 325 CB_GB1_28 O_GB1_38 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 8.122237e-04 0.004395 0.007862 True md_ensemble 7 229 326 - CB_GB1_28 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 327 - CB_GB1_28 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 333 + CB_GB1_28 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 327 + CB_GB1_28 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 333 CB_GB1_28 O_GB1_39 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.882063e-04 0.004395 0.007862 True md_ensemble 7 229 334 - CB_GB1_28 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 335 - CB_GB1_28 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 339 - CB_GB1_28 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 340 - CB_GB1_28 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 341 - CB_GB1_28 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 342 + CB_GB1_28 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 335 + CB_GB1_28 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 339 + CB_GB1_28 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 340 + CB_GB1_28 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 341 + CB_GB1_28 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 342 CB_GB1_28 O_GB1_40 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.695183e-04 0.004395 0.007862 True md_ensemble 7 229 343 - CB_GB1_28 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 344 - CB_GB1_28 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 347 + CB_GB1_28 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 344 + CB_GB1_28 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 347 CB_GB1_28 O_GB1_41 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.869867e-04 0.004395 0.007862 True md_ensemble 7 229 348 - CB_GB1_28 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 349 - CB_GB1_28 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 354 - CB_GB1_28 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 355 - CB_GB1_28 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 356 - CB_GB1_28 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 357 + CB_GB1_28 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 349 + CB_GB1_28 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 354 + CB_GB1_28 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 355 + CB_GB1_28 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 356 + CB_GB1_28 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 357 CB_GB1_28 O_GB1_42 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.999077e-04 0.004395 0.007862 True md_ensemble 7 229 358 - CB_GB1_28 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 359 - CB_GB1_28 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 366 - CB_GB1_28 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 372 + CB_GB1_28 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 359 + CB_GB1_28 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 366 + CB_GB1_28 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 372 CB_GB1_28 O_GB1_43 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.724207e-04 0.004395 0.007862 True md_ensemble 7 229 373 - CB_GB1_28 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 374 - CB_GB1_28 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 378 - CB_GB1_28 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 380 + CB_GB1_28 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 374 + CB_GB1_28 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 378 + CB_GB1_28 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 380 CB_GB1_28 O_GB1_44 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.999580e-04 0.004395 0.007862 True md_ensemble 7 229 381 - CB_GB1_28 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 382 - CB_GB1_28 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 392 - CB_GB1_28 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 393 + CB_GB1_28 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 382 + CB_GB1_28 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 392 + CB_GB1_28 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 393 CB_GB1_28 O_GB1_45 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 229 394 - CB_GB1_28 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 395 - CB_GB1_28 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 399 - CB_GB1_28 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 400 - CB_GB1_28 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 401 - CB_GB1_28 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 402 + CB_GB1_28 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 395 + CB_GB1_28 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 399 + CB_GB1_28 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 400 + CB_GB1_28 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 401 + CB_GB1_28 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 402 CB_GB1_28 O_GB1_46 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.988727e-05 0.004395 0.007862 True md_ensemble 7 229 403 - CB_GB1_28 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 404 - CB_GB1_28 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 408 - CB_GB1_28 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 409 - CB_GB1_28 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 410 - CB_GB1_28 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 411 + CB_GB1_28 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 404 + CB_GB1_28 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 408 + CB_GB1_28 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 409 + CB_GB1_28 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 410 + CB_GB1_28 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 411 CB_GB1_28 O_GB1_47 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 229 412 - CB_GB1_28 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 413 - CB_GB1_28 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 417 + CB_GB1_28 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 413 + CB_GB1_28 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 417 CB_GB1_28 O_GB1_48 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000413e-04 0.004395 0.007862 True md_ensemble 7 229 418 - CB_GB1_28 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 419 - CB_GB1_28 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 423 - CB_GB1_28 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 425 + CB_GB1_28 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 419 + CB_GB1_28 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 423 + CB_GB1_28 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 425 CB_GB1_28 O_GB1_49 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 229 426 - CB_GB1_28 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 427 - CB_GB1_28 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 434 - CB_GB1_28 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 435 + CB_GB1_28 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 427 + CB_GB1_28 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 434 + CB_GB1_28 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 435 CB_GB1_28 O_GB1_50 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 229 436 - CB_GB1_28 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 437 - CB_GB1_28 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 441 - CB_GB1_28 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 443 + CB_GB1_28 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 437 + CB_GB1_28 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 441 + CB_GB1_28 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 443 CB_GB1_28 O_GB1_51 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000096e-04 0.004395 0.007862 True md_ensemble 7 229 444 - CB_GB1_28 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 445 - CB_GB1_28 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 455 + CB_GB1_28 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 445 + CB_GB1_28 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 455 CB_GB1_28 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.449176e-04 0.004395 0.007862 True md_ensemble 7 229 456 - CB_GB1_28 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 457 - CB_GB1_28 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 461 - CB_GB1_28 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 463 + CB_GB1_28 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 457 + CB_GB1_28 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 461 + CB_GB1_28 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 463 CB_GB1_28 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.042488e-04 0.004395 0.007862 True md_ensemble 7 229 464 - CB_GB1_28 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 465 - CB_GB1_28 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 471 + CB_GB1_28 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 465 + CB_GB1_28 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 471 CB_GB1_28 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 229 472 - CB_GB1_28 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 473 - CB_GB1_28 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 477 - CB_GB1_28 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 479 + CB_GB1_28 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 473 + CB_GB1_28 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 477 + CB_GB1_28 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 479 CB_GB1_28 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.999369e-04 0.004395 0.007862 True md_ensemble 7 229 480 - CB_GB1_28 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 481 - CB_GB1_28 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 486 - CB_GB1_28 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 487 - CB_GB1_28 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 488 - CB_GB1_28 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 489 - CB_GB1_28 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 490 - CB_GB1_28 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 491 - CG_GB1_28 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 233 - CG_GB1_28 C_GB1_28 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 234 - CG_GB1_28 O_GB1_28 1 0.000000e+00 1.950635e-06 ; 2.978583e-01 -1.950635e-06 9.925213e-01 9.602631e-01 0.004395 0.001132 True md_ensemble 4 230 235 - CG_GB1_28 N_GB1_29 1 0.000000e+00 3.575418e-06 ; 3.132845e-01 -3.575418e-06 9.995566e-01 9.721733e-01 0.004395 0.001132 True md_ensemble 4 230 236 - CG_GB1_28 CA_GB1_29 1 0.000000e+00 2.542153e-05 ; 3.689168e-01 -2.542153e-05 8.766450e-01 6.757211e-01 0.004395 0.001132 True md_ensemble 5 230 238 - CG_GB1_28 CB_GB1_29 1 0.000000e+00 2.420088e-05 ; 3.674072e-01 -2.420088e-05 4.763806e-01 2.370881e-01 0.004395 0.001132 True md_ensemble 6 230 239 + CB_GB1_28 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 481 + CB_GB1_28 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 486 + CB_GB1_28 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 487 + CB_GB1_28 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 488 + CB_GB1_28 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 489 + CB_GB1_28 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 490 + CB_GB1_28 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 229 491 + CG_GB1_28 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 233 + CG_GB1_28 C_GB1_28 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 234 + CG_GB1_28 O_GB1_28 1 0.000000e+00 1.950628e-06 ; 2.978582e-01 -1.950628e-06 9.925213e-01 9.602631e-01 0.004395 0.001132 True md_ensemble 4 230 235 + CG_GB1_28 N_GB1_29 1 0.000000e+00 3.575371e-06 ; 3.132842e-01 -3.575371e-06 9.995566e-01 9.721733e-01 0.004395 0.001132 True md_ensemble 4 230 236 + CG_GB1_28 CA_GB1_29 1 0.000000e+00 2.542142e-05 ; 3.689167e-01 -2.542142e-05 8.766450e-01 6.757211e-01 0.004395 0.001132 True md_ensemble 5 230 238 + CG_GB1_28 CB_GB1_29 1 0.000000e+00 2.420078e-05 ; 3.674070e-01 -2.420078e-05 4.763806e-01 2.370881e-01 0.004395 0.001132 True md_ensemble 6 230 239 CG_GB1_28 CG1_GB1_29 1 3.475265e-03 1.733798e-05 ; 4.133663e-01 1.741476e-01 2.169332e-01 7.966478e-02 0.004395 0.012151 True md_ensemble 7 230 240 CG_GB1_28 CG2_GB1_29 1 2.787666e-03 1.359385e-05 ; 4.117974e-01 1.429153e-01 1.715536e-01 1.154124e-01 0.004395 0.012151 True md_ensemble 7 230 241 - CG_GB1_28 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 242 + CG_GB1_28 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 242 CG_GB1_28 O_GB1_29 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.944866e-02 0.004395 0.007862 True md_ensemble 7 230 243 - CG_GB1_28 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 244 - CG_GB1_28 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 254 + CG_GB1_28 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 244 + CG_GB1_28 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 254 CG_GB1_28 O_GB1_30 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.733933e-02 0.004395 0.007862 True md_ensemble 7 230 255 - CG_GB1_28 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 256 + CG_GB1_28 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 256 CG_GB1_28 CB_GB1_31 1 9.165228e-03 1.236499e-04 ; 4.879123e-01 1.698372e-01 9.910587e-02 2.559377e-02 0.004395 0.007860 True md_ensemble 7 230 259 CG_GB1_28 CG_GB1_31 1 5.194573e-03 6.526221e-05 ; 4.821535e-01 1.033661e-01 3.026872e-02 2.835186e-02 0.004395 0.007860 True md_ensemble 7 230 260 CG_GB1_28 CD_GB1_31 1 5.200904e-03 4.506398e-05 ; 4.532020e-01 1.500611e-01 8.421797e-02 3.190909e-02 0.004395 0.007860 True md_ensemble 7 230 261 CG_GB1_28 CE_GB1_31 1 3.206244e-03 1.781099e-05 ; 4.208383e-01 1.442930e-01 7.050605e-02 2.987392e-02 0.004395 0.007860 True md_ensemble 7 230 262 - CG_GB1_28 NZ_GB1_31 1 0.000000e+00 3.665409e-06 ; 3.139341e-01 -3.665409e-06 1.527773e-02 1.237449e-02 0.004395 0.001132 True md_ensemble 7 230 263 - CG_GB1_28 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 264 + CG_GB1_28 NZ_GB1_31 1 0.000000e+00 3.665361e-06 ; 3.139338e-01 -3.665361e-06 1.527773e-02 1.237449e-02 0.004395 0.001132 True md_ensemble 7 230 263 + CG_GB1_28 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 264 CG_GB1_28 O_GB1_31 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.520846e-03 0.004395 0.007862 True md_ensemble 7 230 265 - CG_GB1_28 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 266 + CG_GB1_28 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 266 CG_GB1_28 CB_GB1_32 1 9.924781e-03 1.427591e-04 ; 4.931516e-01 1.724956e-01 3.204590e-02 6.503393e-03 0.004395 0.007860 True md_ensemble 7 230 269 CG_GB1_28 CG_GB1_32 1 7.716245e-03 5.751010e-05 ; 4.419668e-01 2.588260e-01 1.830669e-01 8.424405e-03 0.004395 0.007860 True md_ensemble 7 230 270 CG_GB1_28 CD_GB1_32 1 2.286242e-03 8.799085e-06 ; 3.958700e-01 1.485070e-01 1.522667e-01 8.560053e-03 0.004395 0.001132 True md_ensemble 7 230 271 CG_GB1_28 OE1_GB1_32 1 7.859032e-04 7.585869e-07 ; 3.143688e-01 2.035508e-01 5.956181e-02 8.003497e-03 0.004395 0.007862 True md_ensemble 7 230 272 CG_GB1_28 NE2_GB1_32 1 9.012761e-04 1.435459e-06 ; 3.417345e-01 1.414702e-01 1.796985e-01 1.157849e-02 0.004395 0.001132 True md_ensemble 7 230 273 - CG_GB1_28 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 274 + CG_GB1_28 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 274 CG_GB1_28 O_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.997375e-04 0.004395 0.007862 True md_ensemble 7 230 275 - CG_GB1_28 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 276 - CG_GB1_28 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 286 - CG_GB1_28 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 287 + CG_GB1_28 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 276 + CG_GB1_28 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 286 + CG_GB1_28 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 287 CG_GB1_28 O_GB1_33 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.871395e-03 0.004395 0.007862 True md_ensemble 7 230 288 - CG_GB1_28 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 289 - CG_GB1_28 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 293 + CG_GB1_28 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 289 + CG_GB1_28 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 293 CG_GB1_28 O_GB1_34 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.070866e-03 0.004395 0.007862 True md_ensemble 7 230 294 - CG_GB1_28 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 295 - CG_GB1_28 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 299 + CG_GB1_28 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 295 + CG_GB1_28 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 299 CG_GB1_28 OD1_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.435486e-03 0.004395 0.007862 True md_ensemble 7 230 300 - CG_GB1_28 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 301 - CG_GB1_28 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 302 + CG_GB1_28 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 301 + CG_GB1_28 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 302 CG_GB1_28 O_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.473382e-05 0.004395 0.007862 True md_ensemble 7 230 303 - CG_GB1_28 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 304 - CG_GB1_28 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 308 - CG_GB1_28 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 309 - CG_GB1_28 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 310 - CG_GB1_28 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 311 + CG_GB1_28 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 304 + CG_GB1_28 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 308 + CG_GB1_28 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 309 + CG_GB1_28 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 310 + CG_GB1_28 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 311 CG_GB1_28 O_GB1_36 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.263321e-04 0.004395 0.007862 True md_ensemble 7 230 312 - CG_GB1_28 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 313 - CG_GB1_28 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 317 + CG_GB1_28 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 313 + CG_GB1_28 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 317 CG_GB1_28 OD1_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000218e-03 0.004395 0.007862 True md_ensemble 7 230 318 - CG_GB1_28 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 319 - CG_GB1_28 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 320 + CG_GB1_28 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 319 + CG_GB1_28 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 320 CG_GB1_28 O_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.000520e-04 0.004395 0.007862 True md_ensemble 7 230 321 - CG_GB1_28 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 322 - CG_GB1_28 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 325 + CG_GB1_28 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 322 + CG_GB1_28 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 325 CG_GB1_28 O_GB1_38 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.611386e-04 0.004395 0.007862 True md_ensemble 7 230 326 - CG_GB1_28 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 327 - CG_GB1_28 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 333 + CG_GB1_28 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 327 + CG_GB1_28 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 333 CG_GB1_28 O_GB1_39 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.825727e-04 0.004395 0.007862 True md_ensemble 7 230 334 - CG_GB1_28 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 335 - CG_GB1_28 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 339 - CG_GB1_28 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 340 - CG_GB1_28 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 341 - CG_GB1_28 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 342 + CG_GB1_28 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 335 + CG_GB1_28 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 339 + CG_GB1_28 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 340 + CG_GB1_28 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 341 + CG_GB1_28 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 342 CG_GB1_28 O_GB1_40 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.464041e-04 0.004395 0.007862 True md_ensemble 7 230 343 - CG_GB1_28 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 344 - CG_GB1_28 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 347 + CG_GB1_28 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 344 + CG_GB1_28 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 347 CG_GB1_28 O_GB1_41 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.008907e-04 0.004395 0.007862 True md_ensemble 7 230 348 - CG_GB1_28 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 349 - CG_GB1_28 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 354 - CG_GB1_28 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 355 - CG_GB1_28 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 356 - CG_GB1_28 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 357 + CG_GB1_28 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 349 + CG_GB1_28 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 354 + CG_GB1_28 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 355 + CG_GB1_28 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 356 + CG_GB1_28 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 357 CG_GB1_28 O_GB1_42 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.891961e-04 0.004395 0.007862 True md_ensemble 7 230 358 - CG_GB1_28 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 359 - CG_GB1_28 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 366 - CG_GB1_28 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 372 + CG_GB1_28 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 359 + CG_GB1_28 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 366 + CG_GB1_28 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 372 CG_GB1_28 O_GB1_43 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.495484e-04 0.004395 0.007862 True md_ensemble 7 230 373 - CG_GB1_28 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 374 - CG_GB1_28 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 378 - CG_GB1_28 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 380 + CG_GB1_28 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 374 + CG_GB1_28 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 378 + CG_GB1_28 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 380 CG_GB1_28 O_GB1_44 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 8.216525e-05 0.004395 0.007862 True md_ensemble 7 230 381 - CG_GB1_28 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 382 - CG_GB1_28 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 392 - CG_GB1_28 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 393 + CG_GB1_28 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 382 + CG_GB1_28 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 392 + CG_GB1_28 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 393 CG_GB1_28 O_GB1_45 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.104665e-04 0.004395 0.007862 True md_ensemble 7 230 394 - CG_GB1_28 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 395 - CG_GB1_28 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 399 - CG_GB1_28 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 400 - CG_GB1_28 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 401 - CG_GB1_28 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 402 + CG_GB1_28 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 395 + CG_GB1_28 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 399 + CG_GB1_28 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 400 + CG_GB1_28 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 401 + CG_GB1_28 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 402 CG_GB1_28 O_GB1_46 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.614796e-04 0.004395 0.007862 True md_ensemble 7 230 403 - CG_GB1_28 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 404 - CG_GB1_28 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 408 - CG_GB1_28 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 409 - CG_GB1_28 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 410 - CG_GB1_28 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 411 + CG_GB1_28 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 404 + CG_GB1_28 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 408 + CG_GB1_28 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 409 + CG_GB1_28 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 410 + CG_GB1_28 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 411 CG_GB1_28 O_GB1_47 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 230 412 - CG_GB1_28 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 413 - CG_GB1_28 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 417 + CG_GB1_28 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 413 + CG_GB1_28 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 417 CG_GB1_28 O_GB1_48 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.000302e-04 0.004395 0.007862 True md_ensemble 7 230 418 - CG_GB1_28 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 419 - CG_GB1_28 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 423 - CG_GB1_28 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 425 + CG_GB1_28 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 419 + CG_GB1_28 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 423 + CG_GB1_28 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 425 CG_GB1_28 O_GB1_49 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.270133e-05 0.004395 0.007862 True md_ensemble 7 230 426 - CG_GB1_28 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 427 - CG_GB1_28 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 434 - CG_GB1_28 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 435 + CG_GB1_28 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 427 + CG_GB1_28 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 434 + CG_GB1_28 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 435 CG_GB1_28 O_GB1_50 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 230 436 - CG_GB1_28 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 437 - CG_GB1_28 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 441 - CG_GB1_28 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 443 + CG_GB1_28 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 437 + CG_GB1_28 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 441 + CG_GB1_28 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 443 CG_GB1_28 O_GB1_51 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.261459e-04 0.004395 0.007862 True md_ensemble 7 230 444 - CG_GB1_28 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 445 - CG_GB1_28 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 455 + CG_GB1_28 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 445 + CG_GB1_28 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 455 CG_GB1_28 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.037552e-04 0.004395 0.007862 True md_ensemble 7 230 456 - CG_GB1_28 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 457 - CG_GB1_28 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 461 - CG_GB1_28 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 463 + CG_GB1_28 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 457 + CG_GB1_28 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 461 + CG_GB1_28 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 463 CG_GB1_28 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.825059e-04 0.004395 0.007862 True md_ensemble 7 230 464 - CG_GB1_28 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 465 - CG_GB1_28 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 471 + CG_GB1_28 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 465 + CG_GB1_28 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 471 CG_GB1_28 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.224326e-06 0.004395 0.007862 True md_ensemble 7 230 472 - CG_GB1_28 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 473 - CG_GB1_28 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 477 - CG_GB1_28 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 479 + CG_GB1_28 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 473 + CG_GB1_28 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 477 + CG_GB1_28 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 479 CG_GB1_28 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.999368e-04 0.004395 0.007862 True md_ensemble 7 230 480 - CG_GB1_28 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 481 - CG_GB1_28 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 486 - CG_GB1_28 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 487 - CG_GB1_28 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 488 - CG_GB1_28 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 489 - CG_GB1_28 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 490 - CG_GB1_28 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 491 - CD_GB1_28 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 233 - CD_GB1_28 C_GB1_28 1 0.000000e+00 6.269122e-06 ; 3.282935e-01 -6.269122e-06 9.986871e-01 9.884503e-01 0.004395 0.001132 True md_ensemble 4 231 234 - CD_GB1_28 O_GB1_28 1 0.000000e+00 1.903995e-06 ; 2.972582e-01 -1.903995e-06 3.152765e-01 2.598794e-01 0.004395 0.001132 True md_ensemble 5 231 235 - CD_GB1_28 N_GB1_29 1 0.000000e+00 3.199331e-06 ; 3.103963e-01 -3.199331e-06 3.203941e-01 1.907041e-01 0.004395 0.001132 True md_ensemble 5 231 236 - CD_GB1_28 CA_GB1_29 1 0.000000e+00 2.690479e-05 ; 3.706643e-01 -2.690479e-05 3.171609e-01 1.628603e-01 0.004395 0.001132 True md_ensemble 6 231 238 + CG_GB1_28 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 481 + CG_GB1_28 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 486 + CG_GB1_28 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 487 + CG_GB1_28 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 488 + CG_GB1_28 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 489 + CG_GB1_28 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 490 + CG_GB1_28 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 230 491 + CD_GB1_28 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 233 + CD_GB1_28 C_GB1_28 1 0.000000e+00 6.269016e-06 ; 3.282930e-01 -6.269016e-06 9.986871e-01 9.884503e-01 0.004395 0.001132 True md_ensemble 4 231 234 + CD_GB1_28 O_GB1_28 1 0.000000e+00 1.903988e-06 ; 2.972581e-01 -1.903988e-06 3.152765e-01 2.598794e-01 0.004395 0.001132 True md_ensemble 5 231 235 + CD_GB1_28 N_GB1_29 1 0.000000e+00 3.199289e-06 ; 3.103960e-01 -3.199289e-06 3.203941e-01 1.907041e-01 0.004395 0.001132 True md_ensemble 5 231 236 + CD_GB1_28 CA_GB1_29 1 0.000000e+00 2.690467e-05 ; 3.706642e-01 -2.690467e-05 3.171609e-01 1.628603e-01 0.004395 0.001132 True md_ensemble 6 231 238 CD_GB1_28 CB_GB1_29 1 6.316340e-03 9.773234e-05 ; 4.991857e-01 1.020546e-01 6.230230e-02 5.419641e-02 0.004395 0.007117 True md_ensemble 7 231 239 CD_GB1_28 CG1_GB1_29 1 4.100986e-03 2.399803e-05 ; 4.245034e-01 1.752028e-01 1.002077e-01 3.605446e-02 0.004395 0.012151 True md_ensemble 7 231 240 CD_GB1_28 CG2_GB1_29 1 3.474128e-03 2.411897e-05 ; 4.367693e-01 1.251045e-01 5.025868e-02 4.775235e-02 0.004395 0.012151 True md_ensemble 7 231 241 - CD_GB1_28 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 242 + CD_GB1_28 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 242 CD_GB1_28 O_GB1_29 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.569207e-02 0.004395 0.007862 True md_ensemble 7 231 243 - CD_GB1_28 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 244 - CD_GB1_28 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 254 + CD_GB1_28 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 244 + CD_GB1_28 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 254 CD_GB1_28 O_GB1_30 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.455629e-02 0.004395 0.007862 True md_ensemble 7 231 255 - CD_GB1_28 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 256 - CD_GB1_28 CA_GB1_31 1 0.000000e+00 3.209587e-05 ; 3.761541e-01 -3.209587e-05 7.799357e-03 1.667015e-02 0.004395 0.007117 True md_ensemble 7 231 258 + CD_GB1_28 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 256 + CD_GB1_28 CA_GB1_31 1 0.000000e+00 3.209573e-05 ; 3.761539e-01 -3.209573e-05 7.799357e-03 1.667015e-02 0.004395 0.007117 True md_ensemble 7 231 258 CD_GB1_28 CB_GB1_31 1 5.599384e-03 5.194201e-05 ; 4.583843e-01 1.509043e-01 5.187029e-02 1.933437e-02 0.004395 0.007860 True md_ensemble 7 231 259 CD_GB1_28 CG_GB1_31 1 4.084414e-03 3.962223e-05 ; 4.618152e-01 1.052593e-01 2.550768e-02 2.303143e-02 0.004395 0.007860 True md_ensemble 7 231 260 CD_GB1_28 CD_GB1_31 1 2.539010e-03 1.477558e-05 ; 4.241114e-01 1.090748e-01 3.386761e-02 2.839983e-02 0.004395 0.007860 True md_ensemble 7 231 261 CD_GB1_28 CE_GB1_31 1 2.319366e-03 1.401337e-05 ; 4.267717e-01 9.597005e-02 2.430444e-02 2.627438e-02 0.004395 0.007860 True md_ensemble 7 231 262 - CD_GB1_28 NZ_GB1_31 1 0.000000e+00 3.703170e-06 ; 3.142024e-01 -3.703170e-06 5.245180e-03 1.261409e-02 0.004395 0.001132 True md_ensemble 7 231 263 - CD_GB1_28 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 264 + CD_GB1_28 NZ_GB1_31 1 0.000000e+00 3.703122e-06 ; 3.142020e-01 -3.703122e-06 5.245180e-03 1.261409e-02 0.004395 0.001132 True md_ensemble 7 231 263 + CD_GB1_28 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 264 CD_GB1_28 O_GB1_31 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.260621e-03 0.004395 0.007862 True md_ensemble 7 231 265 - CD_GB1_28 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 266 + CD_GB1_28 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 266 CD_GB1_28 CA_GB1_32 1 6.031548e-03 1.231445e-04 ; 5.227945e-01 7.385547e-02 4.736115e-03 4.170488e-03 0.004395 0.007117 True md_ensemble 7 231 268 CD_GB1_28 CB_GB1_32 1 4.976256e-03 5.259145e-05 ; 4.684559e-01 1.177146e-01 1.108223e-02 4.445725e-03 0.004395 0.007860 True md_ensemble 7 231 269 CD_GB1_28 CG_GB1_32 1 4.840557e-03 2.874210e-05 ; 4.255369e-01 2.038037e-01 5.879267e-02 7.246328e-03 0.004395 0.007860 True md_ensemble 7 231 270 CD_GB1_28 CD_GB1_32 1 2.029862e-03 9.071670e-06 ; 4.058543e-01 1.135497e-01 6.920575e-02 7.660968e-03 0.004395 0.001132 True md_ensemble 7 231 271 CD_GB1_28 OE1_GB1_32 1 9.076979e-04 1.124201e-06 ; 3.277055e-01 1.832225e-01 3.945222e-02 7.484680e-03 0.004395 0.007862 True md_ensemble 7 231 272 CD_GB1_28 NE2_GB1_32 1 1.211612e-03 2.998546e-06 ; 3.677826e-01 1.223930e-01 1.305628e-01 1.217637e-02 0.004395 0.001132 True md_ensemble 7 231 273 - CD_GB1_28 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 274 + CD_GB1_28 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 274 CD_GB1_28 O_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.858940e-04 0.004395 0.007862 True md_ensemble 7 231 275 - CD_GB1_28 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 276 - CD_GB1_28 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 286 - CD_GB1_28 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 287 + CD_GB1_28 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 276 + CD_GB1_28 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 286 + CD_GB1_28 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 287 CD_GB1_28 O_GB1_33 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.994425e-03 0.004395 0.007862 True md_ensemble 7 231 288 - CD_GB1_28 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 289 - CD_GB1_28 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 293 + CD_GB1_28 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 289 + CD_GB1_28 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 293 CD_GB1_28 O_GB1_34 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.612320e-03 0.004395 0.007862 True md_ensemble 7 231 294 - CD_GB1_28 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 295 - CD_GB1_28 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 299 + CD_GB1_28 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 295 + CD_GB1_28 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 299 CD_GB1_28 OD1_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.435896e-03 0.004395 0.007862 True md_ensemble 7 231 300 - CD_GB1_28 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 301 - CD_GB1_28 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 302 + CD_GB1_28 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 301 + CD_GB1_28 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 302 CD_GB1_28 O_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.391612e-04 0.004395 0.007862 True md_ensemble 7 231 303 - CD_GB1_28 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 304 - CD_GB1_28 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 308 - CD_GB1_28 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 309 - CD_GB1_28 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 310 - CD_GB1_28 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 311 + CD_GB1_28 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 304 + CD_GB1_28 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 308 + CD_GB1_28 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 309 + CD_GB1_28 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 310 + CD_GB1_28 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 311 CD_GB1_28 O_GB1_36 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.983915e-04 0.004395 0.007862 True md_ensemble 7 231 312 - CD_GB1_28 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 313 - CD_GB1_28 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 317 + CD_GB1_28 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 313 + CD_GB1_28 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 317 CD_GB1_28 OD1_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.035543e-03 0.004395 0.007862 True md_ensemble 7 231 318 - CD_GB1_28 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 319 - CD_GB1_28 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 320 + CD_GB1_28 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 319 + CD_GB1_28 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 320 CD_GB1_28 O_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.790678e-04 0.004395 0.007862 True md_ensemble 7 231 321 - CD_GB1_28 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 322 - CD_GB1_28 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 325 + CD_GB1_28 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 322 + CD_GB1_28 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 325 CD_GB1_28 O_GB1_38 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.037660e-03 0.004395 0.007862 True md_ensemble 7 231 326 - CD_GB1_28 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 327 - CD_GB1_28 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 333 + CD_GB1_28 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 327 + CD_GB1_28 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 333 CD_GB1_28 O_GB1_39 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.056996e-03 0.004395 0.007862 True md_ensemble 7 231 334 - CD_GB1_28 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 335 - CD_GB1_28 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 339 - CD_GB1_28 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 340 - CD_GB1_28 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 341 - CD_GB1_28 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 342 + CD_GB1_28 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 335 + CD_GB1_28 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 339 + CD_GB1_28 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 340 + CD_GB1_28 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 341 + CD_GB1_28 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 342 CD_GB1_28 O_GB1_40 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.087775e-03 0.004395 0.007862 True md_ensemble 7 231 343 - CD_GB1_28 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 344 - CD_GB1_28 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 347 + CD_GB1_28 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 344 + CD_GB1_28 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 347 CD_GB1_28 O_GB1_41 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.513544e-04 0.004395 0.007862 True md_ensemble 7 231 348 - CD_GB1_28 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 349 - CD_GB1_28 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 354 - CD_GB1_28 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 355 - CD_GB1_28 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 356 - CD_GB1_28 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 357 + CD_GB1_28 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 349 + CD_GB1_28 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 354 + CD_GB1_28 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 355 + CD_GB1_28 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 356 + CD_GB1_28 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 357 CD_GB1_28 O_GB1_42 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 8.016422e-04 0.004395 0.007862 True md_ensemble 7 231 358 - CD_GB1_28 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 359 - CD_GB1_28 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 366 - CD_GB1_28 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 372 + CD_GB1_28 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 359 + CD_GB1_28 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 366 + CD_GB1_28 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 372 CD_GB1_28 O_GB1_43 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.802101e-04 0.004395 0.007862 True md_ensemble 7 231 373 - CD_GB1_28 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 374 - CD_GB1_28 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 378 - CD_GB1_28 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 380 + CD_GB1_28 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 374 + CD_GB1_28 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 378 + CD_GB1_28 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 380 CD_GB1_28 O_GB1_44 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.356598e-04 0.004395 0.007862 True md_ensemble 7 231 381 - CD_GB1_28 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 382 - CD_GB1_28 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 392 - CD_GB1_28 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 393 + CD_GB1_28 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 382 + CD_GB1_28 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 392 + CD_GB1_28 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 393 CD_GB1_28 O_GB1_45 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.368873e-04 0.004395 0.007862 True md_ensemble 7 231 394 - CD_GB1_28 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 395 - CD_GB1_28 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 399 - CD_GB1_28 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 400 - CD_GB1_28 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 401 - CD_GB1_28 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 402 + CD_GB1_28 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 395 + CD_GB1_28 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 399 + CD_GB1_28 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 400 + CD_GB1_28 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 401 + CD_GB1_28 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 402 CD_GB1_28 O_GB1_46 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.347787e-04 0.004395 0.007862 True md_ensemble 7 231 403 - CD_GB1_28 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 404 - CD_GB1_28 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 408 - CD_GB1_28 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 409 - CD_GB1_28 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 410 - CD_GB1_28 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 411 + CD_GB1_28 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 404 + CD_GB1_28 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 408 + CD_GB1_28 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 409 + CD_GB1_28 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 410 + CD_GB1_28 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 411 CD_GB1_28 O_GB1_47 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.805178e-04 0.004395 0.007862 True md_ensemble 7 231 412 - CD_GB1_28 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 413 - CD_GB1_28 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 417 + CD_GB1_28 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 413 + CD_GB1_28 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 417 CD_GB1_28 O_GB1_48 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.661569e-04 0.004395 0.007862 True md_ensemble 7 231 418 - CD_GB1_28 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 419 - CD_GB1_28 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 423 - CD_GB1_28 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 425 + CD_GB1_28 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 419 + CD_GB1_28 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 423 + CD_GB1_28 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 425 CD_GB1_28 O_GB1_49 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.999976e-04 0.004395 0.007862 True md_ensemble 7 231 426 - CD_GB1_28 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 427 - CD_GB1_28 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 434 - CD_GB1_28 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 435 + CD_GB1_28 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 427 + CD_GB1_28 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 434 + CD_GB1_28 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 435 CD_GB1_28 O_GB1_50 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 231 436 - CD_GB1_28 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 437 - CD_GB1_28 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 441 - CD_GB1_28 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 443 + CD_GB1_28 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 437 + CD_GB1_28 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 441 + CD_GB1_28 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 443 CD_GB1_28 O_GB1_51 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.998926e-04 0.004395 0.007862 True md_ensemble 7 231 444 - CD_GB1_28 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 445 - CD_GB1_28 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 455 + CD_GB1_28 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 445 + CD_GB1_28 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 455 CD_GB1_28 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.902861e-04 0.004395 0.007862 True md_ensemble 7 231 456 - CD_GB1_28 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 457 - CD_GB1_28 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 461 - CD_GB1_28 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 463 + CD_GB1_28 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 457 + CD_GB1_28 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 461 + CD_GB1_28 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 463 CD_GB1_28 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.762326e-04 0.004395 0.007862 True md_ensemble 7 231 464 - CD_GB1_28 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 465 - CD_GB1_28 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 471 + CD_GB1_28 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 465 + CD_GB1_28 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 471 CD_GB1_28 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.029153e-04 0.004395 0.007862 True md_ensemble 7 231 472 - CD_GB1_28 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 473 - CD_GB1_28 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 477 - CD_GB1_28 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 479 + CD_GB1_28 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 473 + CD_GB1_28 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 477 + CD_GB1_28 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 479 CD_GB1_28 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.628442e-04 0.004395 0.007862 True md_ensemble 7 231 480 - CD_GB1_28 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 481 - CD_GB1_28 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 486 - CD_GB1_28 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 487 - CD_GB1_28 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 488 - CD_GB1_28 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 489 - CD_GB1_28 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 490 - CD_GB1_28 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 491 - CE_GB1_28 NZ_GB1_28 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 233 - CE_GB1_28 C_GB1_28 1 0.000000e+00 6.437795e-06 ; 3.290206e-01 -6.437795e-06 2.756962e-01 2.920894e-01 0.004395 0.001132 True md_ensemble 5 232 234 - CE_GB1_28 O_GB1_28 1 0.000000e+00 2.020940e-06 ; 2.987384e-01 -2.020940e-06 5.403703e-02 5.665822e-02 0.004395 0.001132 True md_ensemble 6 232 235 - CE_GB1_28 N_GB1_29 1 0.000000e+00 3.679610e-06 ; 3.140353e-01 -3.679610e-06 3.488587e-02 3.584572e-02 0.004395 0.001132 True md_ensemble 6 232 236 + CD_GB1_28 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 481 + CD_GB1_28 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 486 + CD_GB1_28 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 487 + CD_GB1_28 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 488 + CD_GB1_28 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 489 + CD_GB1_28 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 490 + CD_GB1_28 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 231 491 + CE_GB1_28 NZ_GB1_28 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 233 + CE_GB1_28 C_GB1_28 1 0.000000e+00 6.437687e-06 ; 3.290201e-01 -6.437687e-06 2.756962e-01 2.920894e-01 0.004395 0.001132 True md_ensemble 5 232 234 + CE_GB1_28 O_GB1_28 1 0.000000e+00 2.020932e-06 ; 2.987384e-01 -2.020932e-06 5.403703e-02 5.665822e-02 0.004395 0.001132 True md_ensemble 6 232 235 + CE_GB1_28 N_GB1_29 1 0.000000e+00 3.679562e-06 ; 3.140350e-01 -3.679562e-06 3.488587e-02 3.584572e-02 0.004395 0.001132 True md_ensemble 6 232 236 CE_GB1_28 CA_GB1_29 1 5.496584e-03 7.049439e-05 ; 4.838123e-01 1.071448e-01 6.457204e-02 5.089344e-02 0.004395 0.007117 True md_ensemble 7 232 238 CE_GB1_28 CB_GB1_29 1 5.244534e-03 6.514468e-05 ; 4.812403e-01 1.055540e-01 3.963892e-02 3.222035e-02 0.004395 0.007117 True md_ensemble 7 232 239 CE_GB1_28 CG1_GB1_29 1 2.257958e-03 7.917099e-06 ; 3.897700e-01 1.609925e-01 5.595846e-02 2.651830e-02 0.004395 0.012151 True md_ensemble 7 232 240 CE_GB1_28 CG2_GB1_29 1 2.082944e-03 8.845319e-06 ; 4.024136e-01 1.226257e-01 3.391740e-02 3.381214e-02 0.004395 0.012151 True md_ensemble 7 232 241 - CE_GB1_28 C_GB1_29 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 242 + CE_GB1_28 C_GB1_29 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 242 CE_GB1_28 O_GB1_29 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.987182e-02 0.004395 0.007862 True md_ensemble 7 232 243 - CE_GB1_28 N_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 244 - CE_GB1_28 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 254 + CE_GB1_28 N_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 244 + CE_GB1_28 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 254 CE_GB1_28 O_GB1_30 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.075094e-02 0.004395 0.007862 True md_ensemble 7 232 255 - CE_GB1_28 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 256 - CE_GB1_28 CB_GB1_31 1 0.000000e+00 1.554583e-05 ; 3.541029e-01 -1.554583e-05 6.510912e-03 1.343701e-02 0.004395 0.007860 True md_ensemble 7 232 259 + CE_GB1_28 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 256 + CE_GB1_28 CB_GB1_31 1 0.000000e+00 1.554558e-05 ; 3.541024e-01 -1.554558e-05 6.510912e-03 1.343701e-02 0.004395 0.007860 True md_ensemble 7 232 259 CE_GB1_28 CD_GB1_31 1 2.391243e-03 1.888086e-05 ; 4.462378e-01 7.571214e-02 1.282490e-02 2.053201e-02 0.004395 0.007860 True md_ensemble 7 232 261 - CE_GB1_28 CE_GB1_31 1 0.000000e+00 1.562914e-05 ; 3.542607e-01 -1.562914e-05 8.071287e-03 2.039326e-02 0.004395 0.007860 True md_ensemble 7 232 262 - CE_GB1_28 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 263 - CE_GB1_28 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 264 + CE_GB1_28 CE_GB1_31 1 0.000000e+00 1.562889e-05 ; 3.542602e-01 -1.562889e-05 8.071287e-03 2.039326e-02 0.004395 0.007860 True md_ensemble 7 232 262 + CE_GB1_28 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 263 + CE_GB1_28 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 264 CE_GB1_28 O_GB1_31 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.649963e-03 0.004395 0.007862 True md_ensemble 7 232 265 - CE_GB1_28 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 266 + CE_GB1_28 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 266 CE_GB1_28 CB_GB1_32 1 3.743499e-03 3.153651e-05 ; 4.510825e-01 1.110917e-01 9.747117e-03 3.904198e-03 0.004395 0.007860 True md_ensemble 7 232 269 CE_GB1_28 CG_GB1_32 1 3.805872e-03 1.805439e-05 ; 4.099096e-01 2.005698e-01 5.522045e-02 7.128869e-03 0.004395 0.007860 True md_ensemble 7 232 270 CE_GB1_28 CD_GB1_32 1 1.400679e-03 4.397470e-06 ; 3.826579e-01 1.115358e-01 7.364171e-02 8.476531e-03 0.004395 0.001132 True md_ensemble 7 232 271 CE_GB1_28 OE1_GB1_32 1 7.490838e-04 7.277318e-07 ; 3.147073e-01 1.927656e-01 4.746842e-02 7.185154e-03 0.004395 0.007862 True md_ensemble 7 232 272 CE_GB1_28 NE2_GB1_32 1 1.017363e-03 2.151374e-06 ; 3.582669e-01 1.202751e-01 1.123370e-01 1.091566e-02 0.004395 0.001132 True md_ensemble 7 232 273 - CE_GB1_28 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 274 + CE_GB1_28 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 274 CE_GB1_28 O_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 8.859443e-04 0.004395 0.007862 True md_ensemble 7 232 275 - CE_GB1_28 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 276 - CE_GB1_28 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 286 - CE_GB1_28 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 287 + CE_GB1_28 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 276 + CE_GB1_28 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 286 + CE_GB1_28 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 287 CE_GB1_28 O_GB1_33 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.417556e-03 0.004395 0.007862 True md_ensemble 7 232 288 - CE_GB1_28 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 289 - CE_GB1_28 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 293 + CE_GB1_28 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 289 + CE_GB1_28 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 293 CE_GB1_28 O_GB1_34 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.076509e-03 0.004395 0.007862 True md_ensemble 7 232 294 - CE_GB1_28 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 295 - CE_GB1_28 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 299 + CE_GB1_28 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 295 + CE_GB1_28 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 299 CE_GB1_28 OD1_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.535759e-03 0.004395 0.007862 True md_ensemble 7 232 300 - CE_GB1_28 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 301 - CE_GB1_28 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 302 + CE_GB1_28 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 301 + CE_GB1_28 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 302 CE_GB1_28 O_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.405374e-04 0.004395 0.007862 True md_ensemble 7 232 303 - CE_GB1_28 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 304 - CE_GB1_28 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 308 - CE_GB1_28 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 309 - CE_GB1_28 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 310 - CE_GB1_28 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 311 + CE_GB1_28 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 304 + CE_GB1_28 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 308 + CE_GB1_28 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 309 + CE_GB1_28 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 310 + CE_GB1_28 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 311 CE_GB1_28 O_GB1_36 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.383415e-04 0.004395 0.007862 True md_ensemble 7 232 312 - CE_GB1_28 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 313 - CE_GB1_28 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 317 + CE_GB1_28 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 313 + CE_GB1_28 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 317 CE_GB1_28 OD1_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.426948e-03 0.004395 0.007862 True md_ensemble 7 232 318 - CE_GB1_28 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 319 - CE_GB1_28 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 320 + CE_GB1_28 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 319 + CE_GB1_28 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 320 CE_GB1_28 O_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.650497e-04 0.004395 0.007862 True md_ensemble 7 232 321 - CE_GB1_28 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 322 - CE_GB1_28 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 325 + CE_GB1_28 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 322 + CE_GB1_28 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 325 CE_GB1_28 O_GB1_38 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.333245e-03 0.004395 0.007862 True md_ensemble 7 232 326 - CE_GB1_28 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 327 - CE_GB1_28 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 333 + CE_GB1_28 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 327 + CE_GB1_28 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 333 CE_GB1_28 O_GB1_39 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.927686e-04 0.004395 0.007862 True md_ensemble 7 232 334 - CE_GB1_28 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 335 - CE_GB1_28 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 339 - CE_GB1_28 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 340 - CE_GB1_28 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 341 - CE_GB1_28 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 342 + CE_GB1_28 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 335 + CE_GB1_28 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 339 + CE_GB1_28 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 340 + CE_GB1_28 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 341 + CE_GB1_28 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 342 CE_GB1_28 O_GB1_40 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.146164e-03 0.004395 0.007862 True md_ensemble 7 232 343 - CE_GB1_28 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 344 - CE_GB1_28 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 347 + CE_GB1_28 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 344 + CE_GB1_28 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 347 CE_GB1_28 O_GB1_41 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.172728e-03 0.004395 0.007862 True md_ensemble 7 232 348 - CE_GB1_28 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 349 - CE_GB1_28 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 354 - CE_GB1_28 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 355 - CE_GB1_28 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 356 - CE_GB1_28 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 357 + CE_GB1_28 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 349 + CE_GB1_28 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 354 + CE_GB1_28 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 355 + CE_GB1_28 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 356 + CE_GB1_28 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 357 CE_GB1_28 O_GB1_42 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.937603e-04 0.004395 0.007862 True md_ensemble 7 232 358 - CE_GB1_28 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 359 - CE_GB1_28 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 366 - CE_GB1_28 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 372 + CE_GB1_28 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 359 + CE_GB1_28 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 366 + CE_GB1_28 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 372 CE_GB1_28 O_GB1_43 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.924894e-04 0.004395 0.007862 True md_ensemble 7 232 373 - CE_GB1_28 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 374 - CE_GB1_28 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 378 - CE_GB1_28 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 380 + CE_GB1_28 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 374 + CE_GB1_28 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 378 + CE_GB1_28 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 380 CE_GB1_28 O_GB1_44 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.978411e-04 0.004395 0.007862 True md_ensemble 7 232 381 - CE_GB1_28 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 382 - CE_GB1_28 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 392 - CE_GB1_28 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 393 + CE_GB1_28 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 382 + CE_GB1_28 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 392 + CE_GB1_28 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 393 CE_GB1_28 O_GB1_45 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.900617e-04 0.004395 0.007862 True md_ensemble 7 232 394 - CE_GB1_28 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 395 - CE_GB1_28 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 399 - CE_GB1_28 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 400 - CE_GB1_28 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 401 - CE_GB1_28 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 402 + CE_GB1_28 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 395 + CE_GB1_28 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 399 + CE_GB1_28 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 400 + CE_GB1_28 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 401 + CE_GB1_28 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 402 CE_GB1_28 O_GB1_46 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.819633e-04 0.004395 0.007862 True md_ensemble 7 232 403 - CE_GB1_28 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 404 - CE_GB1_28 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 408 - CE_GB1_28 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 409 - CE_GB1_28 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 410 - CE_GB1_28 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 411 + CE_GB1_28 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 404 + CE_GB1_28 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 408 + CE_GB1_28 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 409 + CE_GB1_28 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 410 + CE_GB1_28 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 411 CE_GB1_28 O_GB1_47 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.185837e-04 0.004395 0.007862 True md_ensemble 7 232 412 - CE_GB1_28 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 413 - CE_GB1_28 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 417 + CE_GB1_28 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 413 + CE_GB1_28 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 417 CE_GB1_28 O_GB1_48 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.297599e-04 0.004395 0.007862 True md_ensemble 7 232 418 - CE_GB1_28 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 419 - CE_GB1_28 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 423 - CE_GB1_28 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 425 + CE_GB1_28 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 419 + CE_GB1_28 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 423 + CE_GB1_28 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 425 CE_GB1_28 O_GB1_49 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.999119e-04 0.004395 0.007862 True md_ensemble 7 232 426 - CE_GB1_28 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 427 - CE_GB1_28 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 434 - CE_GB1_28 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 435 + CE_GB1_28 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 427 + CE_GB1_28 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 434 + CE_GB1_28 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 435 CE_GB1_28 O_GB1_50 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.986799e-05 0.004395 0.007862 True md_ensemble 7 232 436 - CE_GB1_28 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 437 - CE_GB1_28 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 441 - CE_GB1_28 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 443 + CE_GB1_28 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 437 + CE_GB1_28 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 441 + CE_GB1_28 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 443 CE_GB1_28 O_GB1_51 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.133116e-04 0.004395 0.007862 True md_ensemble 7 232 444 - CE_GB1_28 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 445 - CE_GB1_28 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 455 + CE_GB1_28 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 445 + CE_GB1_28 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 455 CE_GB1_28 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.067327e-04 0.004395 0.007862 True md_ensemble 7 232 456 - CE_GB1_28 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 457 - CE_GB1_28 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 461 - CE_GB1_28 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 463 + CE_GB1_28 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 457 + CE_GB1_28 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 461 + CE_GB1_28 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 463 CE_GB1_28 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.399804e-04 0.004395 0.007862 True md_ensemble 7 232 464 - CE_GB1_28 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 465 - CE_GB1_28 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 471 + CE_GB1_28 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 465 + CE_GB1_28 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 471 CE_GB1_28 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.848886e-04 0.004395 0.007862 True md_ensemble 7 232 472 - CE_GB1_28 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 473 - CE_GB1_28 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 477 - CE_GB1_28 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 479 + CE_GB1_28 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 473 + CE_GB1_28 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 477 + CE_GB1_28 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 479 CE_GB1_28 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.648597e-04 0.004395 0.007862 True md_ensemble 7 232 480 - CE_GB1_28 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 481 - CE_GB1_28 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 486 - CE_GB1_28 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 487 - CE_GB1_28 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 488 - CE_GB1_28 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 489 - CE_GB1_28 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 490 - CE_GB1_28 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 491 + CE_GB1_28 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 481 + CE_GB1_28 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 486 + CE_GB1_28 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 487 + CE_GB1_28 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 488 + CE_GB1_28 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 489 + CE_GB1_28 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 490 + CE_GB1_28 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 232 491 NZ_GB1_28 NZ_GB1_28 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 233 NZ_GB1_28 C_GB1_28 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 3.370967e-03 1.562912e-02 0.004395 0.001132 True md_ensemble 6 233 234 NZ_GB1_28 N_GB1_29 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.980650e-04 3.589894e-03 0.004395 0.001132 True md_ensemble 7 233 236 - NZ_GB1_28 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 239 - NZ_GB1_28 CG1_GB1_29 1 0.000000e+00 2.749120e-06 ; 3.064981e-01 -2.749120e-06 8.578732e-03 1.083694e-02 0.004395 0.001132 True md_ensemble 7 233 240 - NZ_GB1_28 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 241 + NZ_GB1_28 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 239 + NZ_GB1_28 CG1_GB1_29 1 0.000000e+00 2.749094e-06 ; 3.064979e-01 -2.749094e-06 8.578732e-03 1.083694e-02 0.004395 0.001132 True md_ensemble 7 233 240 + NZ_GB1_28 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 241 NZ_GB1_28 N_GB1_30 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.699872e-03 0.004395 0.001132 True md_ensemble 7 233 244 - NZ_GB1_28 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 247 + NZ_GB1_28 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 247 NZ_GB1_28 N_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 6.991522e-04 0.004395 0.001132 True md_ensemble 7 233 256 - NZ_GB1_28 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 259 - NZ_GB1_28 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 260 - NZ_GB1_28 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 261 - NZ_GB1_28 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 262 + NZ_GB1_28 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 259 + NZ_GB1_28 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 260 + NZ_GB1_28 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 261 + NZ_GB1_28 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 262 NZ_GB1_28 NZ_GB1_31 1 0.000000e+00 2.534525e-05 ; 3.688245e-01 -2.534525e-05 1.364661e-02 2.745663e-02 0.004395 0.001132 True md_ensemble 7 233 263 NZ_GB1_28 N_GB1_32 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.376250e-05 3.818167e-04 0.004395 0.001132 True md_ensemble 7 233 266 - NZ_GB1_28 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 269 + NZ_GB1_28 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 269 NZ_GB1_28 CG_GB1_32 1 1.404853e-03 5.005896e-06 ; 3.908186e-01 9.856431e-02 2.142826e-02 3.171575e-03 0.004395 0.001132 True md_ensemble 7 233 270 NZ_GB1_28 CD_GB1_32 1 9.065740e-04 1.269250e-06 ; 3.344701e-01 1.618823e-01 2.608736e-02 3.999106e-03 0.004395 0.011584 True md_ensemble 7 233 271 NZ_GB1_28 OE1_GB1_32 1 1.167330e-04 2.240913e-08 ; 2.401809e-01 1.520205e-01 2.154834e-02 3.750189e-03 0.004395 0.011584 True md_ensemble 7 233 272 NZ_GB1_28 NE2_GB1_32 1 1.171427e-03 1.899836e-06 ; 3.427679e-01 1.805735e-01 3.747759e-02 4.967460e-03 0.004395 0.011584 True md_ensemble 7 233 273 NZ_GB1_28 N_GB1_33 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 9.423161e-05 0.004395 0.001132 True md_ensemble 7 233 276 - NZ_GB1_28 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 279 + NZ_GB1_28 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 279 NZ_GB1_28 N_GB1_34 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 4.820709e-04 0.004395 0.001132 True md_ensemble 7 233 289 - NZ_GB1_28 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 292 + NZ_GB1_28 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 292 NZ_GB1_28 N_GB1_35 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.057600e-04 0.004395 0.001132 True md_ensemble 7 233 295 - NZ_GB1_28 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 298 + NZ_GB1_28 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 298 NZ_GB1_28 N_GB1_36 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 2.998247e-04 0.004395 0.001132 True md_ensemble 7 233 304 - NZ_GB1_28 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 307 + NZ_GB1_28 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 307 NZ_GB1_28 N_GB1_37 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.166522e-05 0.004395 0.001132 True md_ensemble 7 233 313 - NZ_GB1_28 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 316 + NZ_GB1_28 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 316 NZ_GB1_28 N_GB1_38 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 5.978268e-05 0.004395 0.001132 True md_ensemble 7 233 322 - NZ_GB1_28 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 324 + NZ_GB1_28 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 324 NZ_GB1_28 N_GB1_39 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.030162e-04 0.004395 0.001132 True md_ensemble 7 233 327 - NZ_GB1_28 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 330 - NZ_GB1_28 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 331 - NZ_GB1_28 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 332 + NZ_GB1_28 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 330 + NZ_GB1_28 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 331 + NZ_GB1_28 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 332 NZ_GB1_28 N_GB1_40 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.745586e-04 0.004395 0.001132 True md_ensemble 7 233 335 - NZ_GB1_28 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 338 + NZ_GB1_28 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 338 NZ_GB1_28 N_GB1_41 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 4.937951e-04 0.004395 0.001132 True md_ensemble 7 233 344 - NZ_GB1_28 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 346 + NZ_GB1_28 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 346 NZ_GB1_28 N_GB1_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.510581e-05 0.004395 0.001132 True md_ensemble 7 233 349 - NZ_GB1_28 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 352 - NZ_GB1_28 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 353 + NZ_GB1_28 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 352 + NZ_GB1_28 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 353 NZ_GB1_28 N_GB1_43 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.000516e-04 0.004395 0.001132 True md_ensemble 7 233 359 - NZ_GB1_28 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 362 + NZ_GB1_28 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 362 NZ_GB1_28 N_GB1_44 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.346711e-04 0.004395 0.001132 True md_ensemble 7 233 374 - NZ_GB1_28 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 377 - NZ_GB1_28 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 379 + NZ_GB1_28 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 377 + NZ_GB1_28 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 379 NZ_GB1_28 N_GB1_45 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.079718e-04 0.004395 0.001132 True md_ensemble 7 233 382 - NZ_GB1_28 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 385 + NZ_GB1_28 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 385 NZ_GB1_28 N_GB1_46 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.000108e-04 0.004395 0.001132 True md_ensemble 7 233 395 - NZ_GB1_28 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 398 + NZ_GB1_28 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 398 NZ_GB1_28 N_GB1_47 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 8.362682e-05 0.004395 0.001132 True md_ensemble 7 233 404 - NZ_GB1_28 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 407 + NZ_GB1_28 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 407 NZ_GB1_28 N_GB1_48 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 6.233124e-07 0.004395 0.001132 True md_ensemble 7 233 413 - NZ_GB1_28 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 416 + NZ_GB1_28 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 416 NZ_GB1_28 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 233 419 - NZ_GB1_28 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 422 - NZ_GB1_28 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 424 + NZ_GB1_28 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 422 + NZ_GB1_28 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 424 NZ_GB1_28 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 233 427 - NZ_GB1_28 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 430 - NZ_GB1_28 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 431 - NZ_GB1_28 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 432 - NZ_GB1_28 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 433 + NZ_GB1_28 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 430 + NZ_GB1_28 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 431 + NZ_GB1_28 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 432 + NZ_GB1_28 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 433 NZ_GB1_28 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 434 NZ_GB1_28 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 233 437 - NZ_GB1_28 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 440 - NZ_GB1_28 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 442 + NZ_GB1_28 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 440 + NZ_GB1_28 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 442 NZ_GB1_28 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 9.918219e-05 0.004395 0.001132 True md_ensemble 7 233 445 - NZ_GB1_28 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 448 + NZ_GB1_28 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 448 NZ_GB1_28 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 6.350921e-05 0.004395 0.001132 True md_ensemble 7 233 457 - NZ_GB1_28 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 460 - NZ_GB1_28 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 462 + NZ_GB1_28 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 460 + NZ_GB1_28 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 462 NZ_GB1_28 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 233 465 - NZ_GB1_28 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 468 - NZ_GB1_28 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 469 - NZ_GB1_28 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 470 + NZ_GB1_28 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 468 + NZ_GB1_28 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 469 + NZ_GB1_28 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 470 NZ_GB1_28 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.230768e-04 0.004395 0.001132 True md_ensemble 7 233 473 - NZ_GB1_28 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 476 - NZ_GB1_28 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 478 + NZ_GB1_28 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 476 + NZ_GB1_28 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 478 NZ_GB1_28 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 7.504074e-05 0.004395 0.001132 True md_ensemble 7 233 481 - NZ_GB1_28 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 484 - NZ_GB1_28 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 485 - C_GB1_28 CB_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 239 - C_GB1_28 CG1_GB1_29 1 0.000000e+00 4.704227e-06 ; 3.205303e-01 -4.704227e-06 9.920081e-01 9.873767e-01 0.004395 0.001132 True md_ensemble 4 234 240 - C_GB1_28 CG2_GB1_29 1 0.000000e+00 4.716693e-06 ; 3.206009e-01 -4.716693e-06 9.994930e-01 9.974992e-01 0.004395 0.001132 True md_ensemble 4 234 241 - C_GB1_28 O_GB1_29 1 0.000000e+00 7.502752e-07 ; 2.750617e-01 -7.502752e-07 9.988245e-01 9.061124e-01 0.004395 0.001132 True md_ensemble 4 234 243 - C_GB1_28 N_GB1_30 1 0.000000e+00 1.466127e-06 ; 2.908546e-01 -1.466127e-06 9.999932e-01 9.721303e-01 0.004395 0.001132 True md_ensemble 4 234 244 - C_GB1_28 CA_GB1_30 1 0.000000e+00 1.100270e-05 ; 3.440487e-01 -1.100270e-05 1.000000e+00 8.429983e-01 0.004395 0.001132 True md_ensemble 5 234 246 - C_GB1_28 CB_GB1_30 1 0.000000e+00 5.426055e-06 ; 3.243660e-01 -5.426055e-06 3.501390e-01 2.067997e-01 0.004395 0.001132 True md_ensemble 6 234 247 + NZ_GB1_28 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 484 + NZ_GB1_28 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 233 485 + C_GB1_28 CB_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 239 + C_GB1_28 CG1_GB1_29 1 0.000000e+00 4.704166e-06 ; 3.205299e-01 -4.704166e-06 9.920081e-01 9.873767e-01 0.004395 0.001132 True md_ensemble 4 234 240 + C_GB1_28 CG2_GB1_29 1 0.000000e+00 4.716631e-06 ; 3.206006e-01 -4.716631e-06 9.994930e-01 9.974992e-01 0.004395 0.001132 True md_ensemble 4 234 241 + C_GB1_28 O_GB1_29 1 0.000000e+00 7.502718e-07 ; 2.750615e-01 -7.502718e-07 9.988245e-01 9.061124e-01 0.004395 0.001132 True md_ensemble 4 234 243 + C_GB1_28 N_GB1_30 1 0.000000e+00 1.466107e-06 ; 2.908543e-01 -1.466107e-06 9.999932e-01 9.721303e-01 0.004395 0.001132 True md_ensemble 4 234 244 + C_GB1_28 CA_GB1_30 1 0.000000e+00 1.100264e-05 ; 3.440486e-01 -1.100264e-05 1.000000e+00 8.429983e-01 0.004395 0.001132 True md_ensemble 5 234 246 + C_GB1_28 CB_GB1_30 1 0.000000e+00 5.425964e-06 ; 3.243656e-01 -5.425964e-06 3.501390e-01 2.067997e-01 0.004395 0.001132 True md_ensemble 6 234 247 C_GB1_28 C_GB1_30 1 2.138977e-03 1.055671e-05 ; 4.126233e-01 1.083487e-01 8.333672e-01 1.020375e-01 0.004395 0.001132 True md_ensemble 6 234 254 C_GB1_28 N_GB1_31 1 1.532242e-03 2.391190e-06 ; 3.405763e-01 2.454599e-01 9.920866e-01 8.718045e-02 0.004395 0.011584 True md_ensemble 7 234 256 C_GB1_28 CA_GB1_31 1 4.329014e-03 2.077072e-05 ; 4.106865e-01 2.255623e-01 9.958221e-01 9.423575e-02 0.004395 0.008482 True md_ensemble 7 234 258 C_GB1_28 CB_GB1_31 1 1.655944e-03 5.205202e-06 ; 3.827354e-01 1.317023e-01 9.792381e-01 7.624673e-02 0.004395 0.001132 True md_ensemble 7 234 259 C_GB1_28 CG_GB1_31 1 1.875067e-03 9.277370e-06 ; 4.127952e-01 9.474332e-02 3.552908e-01 5.662876e-02 0.004395 0.001132 True md_ensemble 7 234 260 - C_GB1_28 CD_GB1_31 1 0.000000e+00 5.940908e-06 ; 3.268256e-01 -5.940908e-06 9.381952e-02 3.176465e-02 0.004395 0.001132 True md_ensemble 7 234 261 - C_GB1_28 CE_GB1_31 1 0.000000e+00 6.170608e-06 ; 3.278604e-01 -6.170608e-06 4.950803e-02 2.371799e-02 0.004395 0.001132 True md_ensemble 7 234 262 + C_GB1_28 CD_GB1_31 1 0.000000e+00 5.940808e-06 ; 3.268251e-01 -5.940808e-06 9.381952e-02 3.176465e-02 0.004395 0.001132 True md_ensemble 7 234 261 + C_GB1_28 CE_GB1_31 1 0.000000e+00 6.170504e-06 ; 3.278600e-01 -6.170504e-06 4.950803e-02 2.371799e-02 0.004395 0.001132 True md_ensemble 7 234 262 C_GB1_28 C_GB1_31 1 7.046566e-03 4.259971e-05 ; 4.268135e-01 2.913992e-01 3.211443e-01 8.759511e-03 0.004395 0.011584 True md_ensemble 7 234 264 C_GB1_28 N_GB1_32 1 3.562007e-03 9.942085e-06 ; 3.752296e-01 3.190452e-01 7.942144e-01 1.676364e-02 0.004395 0.011584 True md_ensemble 7 234 266 C_GB1_28 CA_GB1_32 1 1.078474e-02 1.021416e-04 ; 4.599728e-01 2.846800e-01 7.741730e-01 2.329271e-02 0.004395 0.008482 True md_ensemble 7 234 268 @@ -32718,54 +32718,54 @@ OE2_GB1_27 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- C_GB1_28 CD_GB1_32 1 4.708881e-03 1.933535e-05 ; 4.001650e-01 2.866971e-01 2.931686e-01 1.076022e-02 0.004395 0.011584 True md_ensemble 7 234 271 C_GB1_28 OE1_GB1_32 1 1.392309e-03 2.206760e-06 ; 3.414574e-01 2.196121e-01 7.987269e-02 6.644090e-03 0.004395 0.011584 True md_ensemble 7 234 272 C_GB1_28 NE2_GB1_32 1 1.369154e-03 1.732816e-06 ; 3.288895e-01 2.704531e-01 2.484851e-01 1.345185e-02 0.004395 0.011584 True md_ensemble 7 234 273 - C_GB1_28 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 279 - C_GB1_28 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 292 - C_GB1_28 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 298 - C_GB1_28 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 307 - C_GB1_28 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 316 - C_GB1_28 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 324 - C_GB1_28 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 330 - C_GB1_28 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 331 - C_GB1_28 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 332 - C_GB1_28 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 338 - C_GB1_28 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 346 - C_GB1_28 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 352 - C_GB1_28 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 353 - C_GB1_28 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 362 - C_GB1_28 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 377 - C_GB1_28 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 379 - C_GB1_28 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 385 - C_GB1_28 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 398 - C_GB1_28 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 407 - C_GB1_28 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 416 - C_GB1_28 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 422 - C_GB1_28 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 424 - C_GB1_28 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 430 - C_GB1_28 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 431 - C_GB1_28 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 432 - C_GB1_28 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 433 - C_GB1_28 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 440 - C_GB1_28 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 442 - C_GB1_28 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 448 - C_GB1_28 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 460 - C_GB1_28 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 462 - C_GB1_28 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 468 - C_GB1_28 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 469 - C_GB1_28 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 470 - C_GB1_28 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 476 - C_GB1_28 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 478 - C_GB1_28 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 484 - C_GB1_28 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 485 + C_GB1_28 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 279 + C_GB1_28 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 292 + C_GB1_28 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 298 + C_GB1_28 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 307 + C_GB1_28 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 316 + C_GB1_28 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 324 + C_GB1_28 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 330 + C_GB1_28 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 331 + C_GB1_28 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 332 + C_GB1_28 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 338 + C_GB1_28 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 346 + C_GB1_28 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 352 + C_GB1_28 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 353 + C_GB1_28 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 362 + C_GB1_28 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 377 + C_GB1_28 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 379 + C_GB1_28 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 385 + C_GB1_28 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 398 + C_GB1_28 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 407 + C_GB1_28 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 416 + C_GB1_28 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 422 + C_GB1_28 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 424 + C_GB1_28 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 430 + C_GB1_28 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 431 + C_GB1_28 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 432 + C_GB1_28 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 433 + C_GB1_28 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 440 + C_GB1_28 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 442 + C_GB1_28 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 448 + C_GB1_28 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 460 + C_GB1_28 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 462 + C_GB1_28 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 468 + C_GB1_28 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 469 + C_GB1_28 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 470 + C_GB1_28 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 476 + C_GB1_28 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 478 + C_GB1_28 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 484 + C_GB1_28 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 234 485 O_GB1_28 O_GB1_28 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 235 235 O_GB1_28 H_GB1_29 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 235 237 - O_GB1_28 CB_GB1_29 1 0.000000e+00 4.153483e-06 ; 3.172216e-01 -4.153483e-06 9.999999e-01 9.999970e-01 0.004395 0.001132 True md_ensemble 4 235 239 + O_GB1_28 CB_GB1_29 1 0.000000e+00 4.153515e-06 ; 3.172218e-01 -4.153515e-06 9.999999e-01 9.999970e-01 0.004395 0.001132 True md_ensemble 4 235 239 O_GB1_28 CG1_GB1_29 1 0.000000e+00 1.702517e-06 ; 2.945004e-01 -1.702517e-06 2.702957e-01 4.022948e-01 0.004395 0.001132 True md_ensemble 5 235 240 O_GB1_28 CG2_GB1_29 1 0.000000e+00 1.651438e-06 ; 2.937538e-01 -1.651438e-06 3.186220e-01 4.166587e-01 0.004395 0.001132 True md_ensemble 5 235 241 - O_GB1_28 C_GB1_29 1 0.000000e+00 8.239833e-07 ; 2.772181e-01 -8.239833e-07 9.999953e-01 9.964164e-01 0.004395 0.001132 True md_ensemble 4 235 242 + O_GB1_28 C_GB1_29 1 0.000000e+00 8.239795e-07 ; 2.772180e-01 -8.239795e-07 9.999953e-01 9.964164e-01 0.004395 0.001132 True md_ensemble 4 235 242 O_GB1_28 O_GB1_29 1 0.000000e+00 1.237050e-06 ; 2.867658e-01 -1.237050e-06 9.999422e-01 8.246425e-01 0.004395 0.001132 True md_ensemble 5 235 243 O_GB1_28 N_GB1_30 1 0.000000e+00 1.364582e-06 ; 2.891201e-01 -1.364582e-06 9.998987e-01 9.096202e-01 0.004395 0.001132 True md_ensemble 5 235 244 - O_GB1_28 H_GB1_30 1 0.000000e+00 1.742960e-08 ; 2.010337e-01 -1.742960e-08 3.017968e-02 1.534958e-01 0.004395 0.001132 True md_ensemble 6 235 245 - O_GB1_28 CA_GB1_30 1 0.000000e+00 2.526974e-06 ; 3.043536e-01 -2.526974e-06 9.351868e-01 5.435840e-01 0.004395 0.001132 True md_ensemble 6 235 246 + O_GB1_28 H_GB1_30 1 0.000000e+00 1.742987e-08 ; 2.010340e-01 -1.742987e-08 3.017968e-02 1.534958e-01 0.004395 0.001132 True md_ensemble 6 235 245 + O_GB1_28 CA_GB1_30 1 0.000000e+00 2.526995e-06 ; 3.043538e-01 -2.526995e-06 9.351868e-01 5.435840e-01 0.004395 0.001132 True md_ensemble 6 235 246 O_GB1_28 CB_GB1_30 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 3.499875e-04 1.516691e-01 0.004395 0.007862 True md_ensemble 7 235 247 O_GB1_28 C_GB1_30 1 2.347196e-03 5.940084e-06 ; 3.691537e-01 2.318708e-01 5.313019e-01 6.075847e-02 0.004395 0.011584 True md_ensemble 7 235 254 O_GB1_28 O_GB1_30 1 0.000000e+00 1.625060e-06 ; 2.933599e-01 -1.625060e-06 6.073695e-03 8.944711e-02 0.004395 0.001132 True md_ensemble 7 235 255 @@ -32889,20 +32889,20 @@ OE2_GB1_27 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- O_GB1_28 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 235 488 O_GB1_28 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 235 490 O_GB1_28 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 235 491 - N_GB1_29 CB_GB1_29 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 239 - N_GB1_29 CG1_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 240 - N_GB1_29 CG2_GB1_29 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 241 - N_GB1_29 CA_GB1_30 1 0.000000e+00 7.574787e-06 ; 3.335103e-01 -7.574787e-06 1.000000e+00 9.999726e-01 0.004395 0.001132 True md_ensemble 4 236 246 - N_GB1_29 CB_GB1_30 1 0.000000e+00 1.789245e-06 ; 2.957224e-01 -1.789245e-06 7.783351e-01 2.650612e-01 0.004395 0.001132 True md_ensemble 5 236 247 + N_GB1_29 CB_GB1_29 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 239 + N_GB1_29 CG1_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 240 + N_GB1_29 CG2_GB1_29 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 241 + N_GB1_29 CA_GB1_30 1 0.000000e+00 7.574775e-06 ; 3.335102e-01 -7.574775e-06 1.000000e+00 9.999726e-01 0.004395 0.001132 True md_ensemble 4 236 246 + N_GB1_29 CB_GB1_30 1 0.000000e+00 1.789221e-06 ; 2.957220e-01 -1.789221e-06 7.783351e-01 2.650612e-01 0.004395 0.001132 True md_ensemble 5 236 247 N_GB1_29 CG_GB1_30 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 2.088650e-04 3.546150e-02 0.004395 0.001132 True md_ensemble 6 236 248 N_GB1_29 C_GB1_30 1 2.118226e-03 1.025385e-05 ; 4.112941e-01 1.093950e-01 4.655485e-01 5.585736e-02 0.004395 0.001132 True md_ensemble 5 236 254 N_GB1_29 O_GB1_30 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 0.000000e+00 8.700684e-02 0.004395 0.001132 True md_ensemble 6 236 255 N_GB1_29 N_GB1_31 1 1.715735e-03 4.901774e-06 ; 3.766898e-01 1.501367e-01 8.116629e-01 4.421080e-02 0.004395 0.001132 True md_ensemble 6 236 256 N_GB1_29 CA_GB1_31 1 1.108469e-02 1.119547e-04 ; 4.649289e-01 2.743749e-01 5.849788e-01 2.149187e-02 0.004395 0.008482 True md_ensemble 7 236 258 N_GB1_29 CB_GB1_31 1 3.414031e-03 2.563194e-05 ; 4.425058e-01 1.136825e-01 8.967148e-02 9.900979e-03 0.004395 0.001132 True md_ensemble 7 236 259 - N_GB1_29 CG_GB1_31 1 0.000000e+00 3.689126e-06 ; 3.141029e-01 -3.689126e-06 6.363227e-03 9.911776e-03 0.004395 0.001132 True md_ensemble 7 236 260 - N_GB1_29 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 261 - N_GB1_29 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 262 + N_GB1_29 CG_GB1_31 1 0.000000e+00 3.689078e-06 ; 3.141026e-01 -3.689078e-06 6.363227e-03 9.911776e-03 0.004395 0.001132 True md_ensemble 7 236 260 + N_GB1_29 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 261 + N_GB1_29 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 262 N_GB1_29 NZ_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.227319e-03 0.004395 0.001132 True md_ensemble 7 236 263 N_GB1_29 N_GB1_32 1 2.102755e-03 8.079355e-06 ; 3.957595e-01 1.368172e-01 1.604843e-02 2.478329e-04 0.004395 0.001132 True md_ensemble 7 236 266 N_GB1_29 CA_GB1_32 1 9.546091e-03 1.081424e-04 ; 4.739091e-01 2.106664e-01 6.715726e-02 2.459316e-03 0.004395 0.008482 True md_ensemble 7 236 268 @@ -32912,68 +32912,68 @@ OE2_GB1_27 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- N_GB1_29 OE1_GB1_32 1 2.291213e-03 5.703015e-06 ; 3.681345e-01 2.301264e-01 9.792797e-02 8.058345e-03 0.004395 0.011584 True md_ensemble 7 236 272 N_GB1_29 NE2_GB1_32 1 2.202144e-03 4.661160e-06 ; 3.583230e-01 2.600982e-01 1.750689e-01 5.304410e-03 0.004395 0.011584 True md_ensemble 7 236 273 N_GB1_29 N_GB1_33 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 2.778362e-05 0.004395 0.001132 True md_ensemble 7 236 276 - N_GB1_29 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 279 + N_GB1_29 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 279 N_GB1_29 N_GB1_34 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 236 289 - N_GB1_29 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 292 + N_GB1_29 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 292 N_GB1_29 N_GB1_35 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 236 295 - N_GB1_29 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 298 + N_GB1_29 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 298 N_GB1_29 N_GB1_36 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 236 304 - N_GB1_29 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 307 + N_GB1_29 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 307 N_GB1_29 N_GB1_37 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 236 313 - N_GB1_29 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 316 + N_GB1_29 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 316 N_GB1_29 N_GB1_38 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 236 322 - N_GB1_29 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 324 + N_GB1_29 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 324 N_GB1_29 N_GB1_39 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 236 327 - N_GB1_29 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 330 - N_GB1_29 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 331 - N_GB1_29 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 332 + N_GB1_29 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 330 + N_GB1_29 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 331 + N_GB1_29 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 332 N_GB1_29 N_GB1_40 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 236 335 - N_GB1_29 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 338 + N_GB1_29 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 338 N_GB1_29 N_GB1_41 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 236 344 - N_GB1_29 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 346 + N_GB1_29 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 346 N_GB1_29 N_GB1_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 236 349 - N_GB1_29 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 352 - N_GB1_29 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 353 + N_GB1_29 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 352 + N_GB1_29 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 353 N_GB1_29 N_GB1_43 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 236 359 - N_GB1_29 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 362 + N_GB1_29 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 362 N_GB1_29 N_GB1_44 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 236 374 - N_GB1_29 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 377 - N_GB1_29 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 379 + N_GB1_29 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 377 + N_GB1_29 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 379 N_GB1_29 N_GB1_45 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 236 382 - N_GB1_29 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 385 + N_GB1_29 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 385 N_GB1_29 N_GB1_46 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 236 395 - N_GB1_29 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 398 + N_GB1_29 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 398 N_GB1_29 N_GB1_47 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 236 404 - N_GB1_29 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 407 + N_GB1_29 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 407 N_GB1_29 N_GB1_48 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 236 413 - N_GB1_29 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 416 + N_GB1_29 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 416 N_GB1_29 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 236 419 - N_GB1_29 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 422 - N_GB1_29 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 424 + N_GB1_29 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 422 + N_GB1_29 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 424 N_GB1_29 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 236 427 - N_GB1_29 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 430 - N_GB1_29 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 431 - N_GB1_29 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 432 - N_GB1_29 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 433 + N_GB1_29 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 430 + N_GB1_29 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 431 + N_GB1_29 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 432 + N_GB1_29 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 433 N_GB1_29 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.917752e-06 0.004395 0.001132 True md_ensemble 7 236 434 N_GB1_29 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 236 437 - N_GB1_29 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 440 - N_GB1_29 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 442 + N_GB1_29 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 440 + N_GB1_29 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 442 N_GB1_29 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 236 445 - N_GB1_29 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 448 + N_GB1_29 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 448 N_GB1_29 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 236 457 - N_GB1_29 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 460 - N_GB1_29 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 462 + N_GB1_29 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 460 + N_GB1_29 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 462 N_GB1_29 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 236 465 - N_GB1_29 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 468 - N_GB1_29 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 469 - N_GB1_29 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 470 + N_GB1_29 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 468 + N_GB1_29 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 469 + N_GB1_29 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 470 N_GB1_29 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 236 473 - N_GB1_29 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 476 - N_GB1_29 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 478 + N_GB1_29 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 476 + N_GB1_29 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 478 N_GB1_29 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 236 481 - N_GB1_29 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 484 - N_GB1_29 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 485 + N_GB1_29 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 484 + N_GB1_29 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 236 485 H_GB1_29 H_GB1_29 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 237 237 H_GB1_29 O_GB1_29 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 237 243 H_GB1_29 H_GB1_30 1 0.000000e+00 3.725722e-09 ; 1.767784e-01 -3.725722e-09 9.926006e-01 3.030774e-01 0.004395 0.001132 True md_ensemble 5 237 245 @@ -33053,18 +33053,18 @@ OE2_GB1_27 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- H_GB1_29 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 237 488 H_GB1_29 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 237 490 H_GB1_29 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 237 491 - CA_GB1_29 CB_GB1_30 1 0.000000e+00 3.181389e-05 ; 3.758776e-01 -3.181389e-05 9.999926e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 238 247 - CA_GB1_29 CG_GB1_30 1 0.000000e+00 9.977285e-06 ; 3.412553e-01 -9.977285e-06 9.949843e-01 7.594180e-01 0.004395 0.001132 True md_ensemble 5 238 248 - CA_GB1_29 CD1_GB1_30 1 0.000000e+00 7.778369e-06 ; 3.342482e-01 -7.778369e-06 9.007739e-01 4.967323e-01 0.004395 0.001132 True md_ensemble 6 238 249 - CA_GB1_29 CD2_GB1_30 1 0.000000e+00 7.778369e-06 ; 3.342482e-01 -7.778369e-06 9.007739e-01 4.967323e-01 0.004395 0.001132 True md_ensemble 6 238 250 - CA_GB1_29 CE1_GB1_30 1 0.000000e+00 1.493546e-05 ; 3.529229e-01 -1.493546e-05 6.456243e-02 2.088788e-01 0.004395 0.010759 True md_ensemble 7 238 251 - CA_GB1_29 CE2_GB1_30 1 0.000000e+00 1.493546e-05 ; 3.529229e-01 -1.493546e-05 6.456243e-02 2.088788e-01 0.004395 0.010759 True md_ensemble 7 238 252 - CA_GB1_29 C_GB1_30 1 0.000000e+00 1.305189e-05 ; 3.489805e-01 -1.305189e-05 9.999984e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 238 254 - CA_GB1_29 O_GB1_30 1 0.000000e+00 6.304753e-06 ; 3.284485e-01 -6.304753e-06 1.029688e-02 5.282362e-01 0.004395 0.001132 True md_ensemble 5 238 255 - CA_GB1_29 N_GB1_31 1 0.000000e+00 4.091265e-06 ; 3.168228e-01 -4.091265e-06 1.000000e+00 5.401013e-01 0.004395 0.001132 True md_ensemble 5 238 256 - CA_GB1_29 CA_GB1_31 1 0.000000e+00 3.426708e-05 ; 3.782115e-01 -3.426708e-05 9.999974e-01 5.227141e-01 0.004395 0.001132 True md_ensemble 6 238 258 + CA_GB1_29 CB_GB1_30 1 0.000000e+00 3.181375e-05 ; 3.758774e-01 -3.181375e-05 9.999926e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 238 247 + CA_GB1_29 CG_GB1_30 1 0.000000e+00 9.977234e-06 ; 3.412551e-01 -9.977234e-06 9.949843e-01 7.594180e-01 0.004395 0.001132 True md_ensemble 5 238 248 + CA_GB1_29 CD1_GB1_30 1 0.000000e+00 7.778328e-06 ; 3.342480e-01 -7.778328e-06 9.007739e-01 4.967323e-01 0.004395 0.001132 True md_ensemble 6 238 249 + CA_GB1_29 CD2_GB1_30 1 0.000000e+00 7.778328e-06 ; 3.342480e-01 -7.778328e-06 9.007739e-01 4.967323e-01 0.004395 0.001132 True md_ensemble 6 238 250 + CA_GB1_29 CE1_GB1_30 1 0.000000e+00 1.493539e-05 ; 3.529228e-01 -1.493539e-05 6.456243e-02 2.088788e-01 0.004395 0.010759 True md_ensemble 7 238 251 + CA_GB1_29 CE2_GB1_30 1 0.000000e+00 1.493539e-05 ; 3.529228e-01 -1.493539e-05 6.456243e-02 2.088788e-01 0.004395 0.010759 True md_ensemble 7 238 252 + CA_GB1_29 C_GB1_30 1 0.000000e+00 1.305182e-05 ; 3.489803e-01 -1.305182e-05 9.999984e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 238 254 + CA_GB1_29 O_GB1_30 1 0.000000e+00 6.304803e-06 ; 3.284488e-01 -6.304803e-06 1.029688e-02 5.282362e-01 0.004395 0.001132 True md_ensemble 5 238 255 + CA_GB1_29 N_GB1_31 1 0.000000e+00 4.091258e-06 ; 3.168228e-01 -4.091258e-06 1.000000e+00 5.401013e-01 0.004395 0.001132 True md_ensemble 5 238 256 + CA_GB1_29 CA_GB1_31 1 0.000000e+00 3.426733e-05 ; 3.782118e-01 -3.426733e-05 9.999974e-01 5.227141e-01 0.004395 0.001132 True md_ensemble 6 238 258 CA_GB1_29 CB_GB1_31 1 1.209512e-02 2.309095e-04 ; 5.169778e-01 1.583867e-01 7.173459e-01 2.094079e-01 0.004395 0.007117 True md_ensemble 7 238 259 - CA_GB1_29 CG_GB1_31 1 0.000000e+00 3.682836e-05 ; 3.804903e-01 -3.682836e-05 2.167287e-02 1.793005e-01 0.004395 0.007117 True md_ensemble 7 238 260 + CA_GB1_29 CG_GB1_31 1 0.000000e+00 3.682821e-05 ; 3.804901e-01 -3.682821e-05 2.167287e-02 1.793005e-01 0.004395 0.007117 True md_ensemble 7 238 260 CA_GB1_29 C_GB1_31 1 1.232629e-02 1.631065e-04 ; 4.863398e-01 2.328805e-01 5.252691e-01 4.313310e-02 0.004395 0.008482 True md_ensemble 7 238 264 CA_GB1_29 N_GB1_32 1 4.262153e-03 1.989234e-05 ; 4.087987e-01 2.283033e-01 9.817474e-01 8.809744e-02 0.004395 0.008482 True md_ensemble 7 238 266 CA_GB1_29 CA_GB1_32 1 7.623200e-03 7.470614e-05 ; 4.625974e-01 1.944725e-01 9.946082e-01 1.312802e-01 0.004395 0.006476 True md_ensemble 7 238 268 @@ -33083,34 +33083,34 @@ OE2_GB1_27 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- CA_GB1_29 CE1_GB1_33 1 4.059779e-03 3.650772e-05 ; 4.560163e-01 1.128652e-01 3.115893e-02 3.323189e-02 0.004395 0.010759 True md_ensemble 7 238 283 CA_GB1_29 CE2_GB1_33 1 4.059779e-03 3.650772e-05 ; 4.560163e-01 1.128652e-01 3.115893e-02 3.323189e-02 0.004395 0.010759 True md_ensemble 7 238 284 CA_GB1_29 CZ_GB1_33 1 4.245251e-03 3.827682e-05 ; 4.562177e-01 1.177093e-01 2.346048e-02 2.277886e-02 0.004395 0.010759 True md_ensemble 7 238 285 - CB_GB1_29 C_GB1_29 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 242 + CB_GB1_29 C_GB1_29 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 242 CB_GB1_29 O_GB1_29 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 243 - CB_GB1_29 N_GB1_30 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 244 - CB_GB1_29 CA_GB1_30 1 0.000000e+00 6.555602e-05 ; 3.992204e-01 -6.555602e-05 9.999958e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 239 246 - CB_GB1_29 CB_GB1_30 1 0.000000e+00 2.907366e-05 ; 3.730668e-01 -2.907366e-05 9.999320e-01 9.138058e-01 0.004395 0.001132 True md_ensemble 5 239 247 + CB_GB1_29 N_GB1_30 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 244 + CB_GB1_29 CA_GB1_30 1 0.000000e+00 6.555650e-05 ; 3.992206e-01 -6.555650e-05 9.999958e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 239 246 + CB_GB1_29 CB_GB1_30 1 0.000000e+00 2.907354e-05 ; 3.730667e-01 -2.907354e-05 9.999320e-01 9.138058e-01 0.004395 0.001132 True md_ensemble 5 239 247 CB_GB1_29 CG_GB1_30 1 2.405127e-03 2.033471e-05 ; 4.513533e-01 7.111775e-02 8.422458e-01 2.122127e-01 0.004395 0.001132 True md_ensemble 6 239 248 CB_GB1_29 CD1_GB1_30 1 4.403941e-03 2.409685e-05 ; 4.197781e-01 2.012161e-01 8.913797e-01 1.715141e-01 0.004395 0.010759 True md_ensemble 7 239 249 CB_GB1_29 CD2_GB1_30 1 4.403941e-03 2.409685e-05 ; 4.197781e-01 2.012161e-01 8.913797e-01 1.715141e-01 0.004395 0.010759 True md_ensemble 7 239 250 CB_GB1_29 CE1_GB1_30 1 6.482531e-03 5.434239e-05 ; 4.507119e-01 1.933261e-01 4.349223e-01 9.751395e-02 0.004395 0.010759 True md_ensemble 7 239 251 CB_GB1_29 CE2_GB1_30 1 6.482531e-03 5.434239e-05 ; 4.507119e-01 1.933261e-01 4.349223e-01 9.751395e-02 0.004395 0.010759 True md_ensemble 7 239 252 CB_GB1_29 CZ_GB1_30 1 6.258691e-03 7.823549e-05 ; 4.817481e-01 1.251709e-01 7.195369e-02 6.045567e-02 0.004395 0.010759 True md_ensemble 7 239 253 - CB_GB1_29 C_GB1_30 1 0.000000e+00 1.300344e-05 ; 3.488723e-01 -1.300344e-05 6.998523e-01 6.961418e-01 0.004395 0.001132 True md_ensemble 5 239 254 + CB_GB1_29 C_GB1_30 1 0.000000e+00 1.300337e-05 ; 3.488722e-01 -1.300337e-05 6.998523e-01 6.961418e-01 0.004395 0.001132 True md_ensemble 5 239 254 CB_GB1_29 O_GB1_30 1 0.000000e+00 4.153495e-06 ; 3.172216e-01 -4.153495e-06 0.000000e+00 2.641724e-01 0.004395 0.001132 True md_ensemble 6 239 255 - CB_GB1_29 N_GB1_31 1 0.000000e+00 9.299235e-06 ; 3.392597e-01 -9.299235e-06 1.820869e-02 2.458313e-01 0.004395 0.001132 True md_ensemble 6 239 256 - CB_GB1_29 NZ_GB1_31 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 263 - CB_GB1_29 C_GB1_31 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 264 + CB_GB1_29 N_GB1_31 1 0.000000e+00 9.299220e-06 ; 3.392597e-01 -9.299220e-06 1.820869e-02 2.458313e-01 0.004395 0.001132 True md_ensemble 6 239 256 + CB_GB1_29 NZ_GB1_31 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 263 + CB_GB1_29 C_GB1_31 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 264 CB_GB1_29 O_GB1_31 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 5.062224e-02 0.004395 0.007862 True md_ensemble 7 239 265 - CB_GB1_29 N_GB1_32 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 266 + CB_GB1_29 N_GB1_32 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 266 CB_GB1_29 CA_GB1_32 1 1.768316e-02 5.091545e-04 ; 5.536241e-01 1.535360e-01 3.826822e-01 1.116834e-01 0.004395 0.006476 True md_ensemble 7 239 268 CB_GB1_29 CB_GB1_32 1 1.028236e-02 1.371015e-04 ; 4.869581e-01 1.927893e-01 6.956697e-01 1.042478e-01 0.004395 0.007117 True md_ensemble 7 239 269 CB_GB1_29 CG_GB1_32 1 9.055872e-03 1.258155e-04 ; 4.903061e-01 1.629545e-01 3.669881e-01 9.805383e-02 0.004395 0.007117 True md_ensemble 7 239 270 CB_GB1_29 CD_GB1_32 1 2.581567e-03 2.183965e-05 ; 4.513988e-01 7.628885e-02 2.496258e-01 5.689732e-02 0.004395 0.001132 True md_ensemble 7 239 271 CB_GB1_29 OE1_GB1_32 1 1.983385e-03 5.313174e-06 ; 3.726701e-01 1.850973e-01 1.928549e-01 3.705822e-02 0.004395 0.007862 True md_ensemble 7 239 272 CB_GB1_29 NE2_GB1_32 1 1.721088e-03 8.684735e-06 ; 4.141512e-01 8.526867e-02 2.755883e-01 5.278022e-02 0.004395 0.001132 True md_ensemble 7 239 273 - CB_GB1_29 C_GB1_32 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 274 + CB_GB1_29 C_GB1_32 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 274 CB_GB1_29 O_GB1_32 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.591808e-02 0.004395 0.007862 True md_ensemble 7 239 275 - CB_GB1_29 N_GB1_33 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 276 - CB_GB1_29 CA_GB1_33 1 0.000000e+00 6.744380e-05 ; 4.001660e-01 -6.744380e-05 6.108762e-03 3.490952e-02 0.004395 0.006476 True md_ensemble 7 239 278 + CB_GB1_29 N_GB1_33 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 276 + CB_GB1_29 CA_GB1_33 1 0.000000e+00 6.744429e-05 ; 4.001662e-01 -6.744429e-05 6.108762e-03 3.490952e-02 0.004395 0.006476 True md_ensemble 7 239 278 CB_GB1_29 CB_GB1_33 1 1.207407e-02 2.690048e-04 ; 5.304580e-01 1.354839e-01 8.869593e-02 4.036112e-02 0.004395 0.007117 True md_ensemble 7 239 279 CB_GB1_29 CG_GB1_33 1 3.794893e-03 4.532428e-05 ; 4.781035e-01 7.943432e-02 9.834542e-03 2.005152e-02 0.004395 0.010759 True md_ensemble 7 239 280 CB_GB1_29 CD1_GB1_33 1 3.043354e-03 2.434326e-05 ; 4.472026e-01 9.511878e-02 2.079874e-02 3.128951e-02 0.004395 0.010759 True md_ensemble 7 239 281 @@ -33118,138 +33118,138 @@ OE2_GB1_27 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- CB_GB1_29 CE1_GB1_33 1 1.958733e-03 8.613726e-06 ; 4.047647e-01 1.113524e-01 3.230886e-02 3.548371e-02 0.004395 0.010759 True md_ensemble 7 239 283 CB_GB1_29 CE2_GB1_33 1 1.958733e-03 8.613726e-06 ; 4.047647e-01 1.113524e-01 3.230886e-02 3.548371e-02 0.004395 0.010759 True md_ensemble 7 239 284 CB_GB1_29 CZ_GB1_33 1 1.874795e-03 7.135437e-06 ; 3.951341e-01 1.231479e-01 3.484205e-02 3.044510e-02 0.004395 0.010759 True md_ensemble 7 239 285 - CB_GB1_29 OH_GB1_33 1 0.000000e+00 5.740344e-06 ; 3.258916e-01 -5.740344e-06 2.168288e-02 2.248589e-02 0.004395 0.001132 True md_ensemble 7 239 286 - CB_GB1_29 C_GB1_33 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 287 + CB_GB1_29 OH_GB1_33 1 0.000000e+00 5.740325e-06 ; 3.258915e-01 -5.740325e-06 2.168288e-02 2.248589e-02 0.004395 0.001132 True md_ensemble 7 239 286 + CB_GB1_29 C_GB1_33 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 287 CB_GB1_29 O_GB1_33 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 6.869566e-03 0.004395 0.007862 True md_ensemble 7 239 288 - CB_GB1_29 N_GB1_34 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 289 - CB_GB1_29 C_GB1_34 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 293 + CB_GB1_29 N_GB1_34 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 289 + CB_GB1_29 C_GB1_34 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 293 CB_GB1_29 O_GB1_34 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.813645e-03 0.004395 0.007862 True md_ensemble 7 239 294 - CB_GB1_29 N_GB1_35 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 295 - CB_GB1_29 CG_GB1_35 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 299 + CB_GB1_29 N_GB1_35 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 295 + CB_GB1_29 CG_GB1_35 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 299 CB_GB1_29 OD1_GB1_35 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 5.589486e-03 0.004395 0.007862 True md_ensemble 7 239 300 - CB_GB1_29 ND2_GB1_35 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 301 - CB_GB1_29 C_GB1_35 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 302 + CB_GB1_29 ND2_GB1_35 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 301 + CB_GB1_29 C_GB1_35 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 302 CB_GB1_29 O_GB1_35 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.561788e-03 0.004395 0.007862 True md_ensemble 7 239 303 - CB_GB1_29 N_GB1_36 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 304 - CB_GB1_29 CG_GB1_36 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 308 - CB_GB1_29 OD1_GB1_36 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 309 - CB_GB1_29 OD2_GB1_36 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 310 - CB_GB1_29 C_GB1_36 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 311 + CB_GB1_29 N_GB1_36 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 304 + CB_GB1_29 CG_GB1_36 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 308 + CB_GB1_29 OD1_GB1_36 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 309 + CB_GB1_29 OD2_GB1_36 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 310 + CB_GB1_29 C_GB1_36 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 311 CB_GB1_29 O_GB1_36 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.053342e-03 0.004395 0.007862 True md_ensemble 7 239 312 - CB_GB1_29 N_GB1_37 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 313 - CB_GB1_29 CG_GB1_37 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 317 + CB_GB1_29 N_GB1_37 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 313 + CB_GB1_29 CG_GB1_37 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 317 CB_GB1_29 OD1_GB1_37 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.304296e-03 0.004395 0.007862 True md_ensemble 7 239 318 - CB_GB1_29 ND2_GB1_37 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 319 - CB_GB1_29 C_GB1_37 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 320 + CB_GB1_29 ND2_GB1_37 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 319 + CB_GB1_29 C_GB1_37 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 320 CB_GB1_29 O_GB1_37 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.519971e-03 0.004395 0.007862 True md_ensemble 7 239 321 - CB_GB1_29 N_GB1_38 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 322 - CB_GB1_29 C_GB1_38 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 325 + CB_GB1_29 N_GB1_38 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 322 + CB_GB1_29 C_GB1_38 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 325 CB_GB1_29 O_GB1_38 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.842190e-03 0.004395 0.007862 True md_ensemble 7 239 326 - CB_GB1_29 N_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 327 - CB_GB1_29 C_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 333 + CB_GB1_29 N_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 327 + CB_GB1_29 C_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 333 CB_GB1_29 O_GB1_39 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 8.676985e-04 0.004395 0.007862 True md_ensemble 7 239 334 - CB_GB1_29 N_GB1_40 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 335 - CB_GB1_29 CG_GB1_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 339 - CB_GB1_29 OD1_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 340 - CB_GB1_29 OD2_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 341 - CB_GB1_29 C_GB1_40 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 342 + CB_GB1_29 N_GB1_40 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 335 + CB_GB1_29 CG_GB1_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 339 + CB_GB1_29 OD1_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 340 + CB_GB1_29 OD2_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 341 + CB_GB1_29 C_GB1_40 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 342 CB_GB1_29 O_GB1_40 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 5.941217e-04 0.004395 0.007862 True md_ensemble 7 239 343 - CB_GB1_29 N_GB1_41 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 344 - CB_GB1_29 C_GB1_41 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 347 + CB_GB1_29 N_GB1_41 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 344 + CB_GB1_29 C_GB1_41 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 347 CB_GB1_29 O_GB1_41 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.324107e-03 0.004395 0.007862 True md_ensemble 7 239 348 - CB_GB1_29 N_GB1_42 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 349 - CB_GB1_29 CD_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 354 - CB_GB1_29 OE1_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 355 - CB_GB1_29 OE2_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 356 - CB_GB1_29 C_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 357 + CB_GB1_29 N_GB1_42 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 349 + CB_GB1_29 CD_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 354 + CB_GB1_29 OE1_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 355 + CB_GB1_29 OE2_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 356 + CB_GB1_29 C_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 357 CB_GB1_29 O_GB1_42 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.952827e-04 0.004395 0.007862 True md_ensemble 7 239 358 - CB_GB1_29 N_GB1_43 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 359 - CB_GB1_29 NE1_GB1_43 1 0.000000e+00 9.937288e-06 ; 8.853117e-06 -9.937288e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 366 - CB_GB1_29 C_GB1_43 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 372 + CB_GB1_29 N_GB1_43 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 359 + CB_GB1_29 NE1_GB1_43 1 0.000000e+00 9.937231e-06 ; 8.853066e-06 -9.937231e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 366 + CB_GB1_29 C_GB1_43 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 372 CB_GB1_29 O_GB1_43 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 5.206570e-04 0.004395 0.007862 True md_ensemble 7 239 373 - CB_GB1_29 N_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 374 - CB_GB1_29 OG1_GB1_44 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 378 - CB_GB1_29 C_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 380 + CB_GB1_29 N_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 374 + CB_GB1_29 OG1_GB1_44 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 378 + CB_GB1_29 C_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 380 CB_GB1_29 O_GB1_44 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.839376e-04 0.004395 0.007862 True md_ensemble 7 239 381 - CB_GB1_29 N_GB1_45 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 382 - CB_GB1_29 OH_GB1_45 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 392 - CB_GB1_29 C_GB1_45 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 393 + CB_GB1_29 N_GB1_45 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 382 + CB_GB1_29 OH_GB1_45 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 392 + CB_GB1_29 C_GB1_45 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 393 CB_GB1_29 O_GB1_45 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.323588e-04 0.004395 0.007862 True md_ensemble 7 239 394 - CB_GB1_29 N_GB1_46 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 395 - CB_GB1_29 CG_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 399 - CB_GB1_29 OD1_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 400 - CB_GB1_29 OD2_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 401 - CB_GB1_29 C_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 402 + CB_GB1_29 N_GB1_46 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 395 + CB_GB1_29 CG_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 399 + CB_GB1_29 OD1_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 400 + CB_GB1_29 OD2_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 401 + CB_GB1_29 C_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 402 CB_GB1_29 O_GB1_46 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.386053e-06 0.004395 0.007862 True md_ensemble 7 239 403 - CB_GB1_29 N_GB1_47 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 404 - CB_GB1_29 CG_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 408 - CB_GB1_29 OD1_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 409 - CB_GB1_29 OD2_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 410 - CB_GB1_29 C_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 411 + CB_GB1_29 N_GB1_47 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 404 + CB_GB1_29 CG_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 408 + CB_GB1_29 OD1_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 409 + CB_GB1_29 OD2_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 410 + CB_GB1_29 C_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 411 CB_GB1_29 O_GB1_47 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.998901e-04 0.004395 0.007862 True md_ensemble 7 239 412 - CB_GB1_29 N_GB1_48 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 413 - CB_GB1_29 C_GB1_48 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 417 + CB_GB1_29 N_GB1_48 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 413 + CB_GB1_29 C_GB1_48 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 417 CB_GB1_29 O_GB1_48 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.974543e-04 0.004395 0.007862 True md_ensemble 7 239 418 - CB_GB1_29 N_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 419 - CB_GB1_29 OG1_GB1_49 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 423 - CB_GB1_29 C_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 425 + CB_GB1_29 N_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 419 + CB_GB1_29 OG1_GB1_49 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 423 + CB_GB1_29 C_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 425 CB_GB1_29 O_GB1_49 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.678483e-04 0.004395 0.007862 True md_ensemble 7 239 426 - CB_GB1_29 N_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 427 - CB_GB1_29 NZ_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 434 - CB_GB1_29 C_GB1_50 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 435 + CB_GB1_29 N_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 427 + CB_GB1_29 NZ_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 434 + CB_GB1_29 C_GB1_50 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 435 CB_GB1_29 O_GB1_50 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.479195e-06 0.004395 0.007862 True md_ensemble 7 239 436 - CB_GB1_29 N_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 437 - CB_GB1_29 OG1_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 441 - CB_GB1_29 C_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 443 + CB_GB1_29 N_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 437 + CB_GB1_29 OG1_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 441 + CB_GB1_29 C_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 443 CB_GB1_29 O_GB1_51 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.950942e-04 0.004395 0.007862 True md_ensemble 7 239 444 - CB_GB1_29 N_GB1_52 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 445 - CB_GB1_29 C_GB1_52 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 455 + CB_GB1_29 N_GB1_52 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 445 + CB_GB1_29 C_GB1_52 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 455 CB_GB1_29 O_GB1_52 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.152416e-05 0.004395 0.007862 True md_ensemble 7 239 456 - CB_GB1_29 N_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 457 - CB_GB1_29 OG1_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 461 - CB_GB1_29 C_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 463 + CB_GB1_29 N_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 457 + CB_GB1_29 OG1_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 461 + CB_GB1_29 C_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 463 CB_GB1_29 O_GB1_53 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 4.197499e-04 0.004395 0.007862 True md_ensemble 7 239 464 - CB_GB1_29 N_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 465 - CB_GB1_29 C_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 471 + CB_GB1_29 N_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 465 + CB_GB1_29 C_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 471 CB_GB1_29 O_GB1_54 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.997806e-04 0.004395 0.007862 True md_ensemble 7 239 472 - CB_GB1_29 N_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 473 - CB_GB1_29 OG1_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 477 - CB_GB1_29 C_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 479 + CB_GB1_29 N_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 473 + CB_GB1_29 OG1_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 477 + CB_GB1_29 C_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 479 CB_GB1_29 O_GB1_55 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.025098e-04 0.004395 0.007862 True md_ensemble 7 239 480 - CB_GB1_29 N_GB1_56 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 481 - CB_GB1_29 CD_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 486 - CB_GB1_29 OE1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 487 - CB_GB1_29 OE2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 488 - CB_GB1_29 C_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 489 - CB_GB1_29 O1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 490 - CB_GB1_29 O2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 491 -CG1_GB1_29 C_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 242 + CB_GB1_29 N_GB1_56 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 481 + CB_GB1_29 CD_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 486 + CB_GB1_29 OE1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 487 + CB_GB1_29 OE2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 488 + CB_GB1_29 C_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 489 + CB_GB1_29 O1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 490 + CB_GB1_29 O2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 239 491 +CG1_GB1_29 C_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 242 CG1_GB1_29 O_GB1_29 1 0.000000e+00 1.363077e-06 ; 2.890935e-01 -1.363077e-06 9.924117e-01 8.987181e-01 0.004395 0.001132 True md_ensemble 4 240 243 -CG1_GB1_29 N_GB1_30 1 0.000000e+00 2.665934e-06 ; 3.057143e-01 -2.665934e-06 9.974850e-01 9.694158e-01 0.004395 0.001132 True md_ensemble 4 240 244 -CG1_GB1_29 CA_GB1_30 1 0.000000e+00 2.398071e-05 ; 3.671274e-01 -2.398071e-05 7.222429e-01 7.324711e-01 0.004395 0.001132 True md_ensemble 5 240 246 -CG1_GB1_29 CB_GB1_30 1 0.000000e+00 9.024431e-06 ; 3.384127e-01 -9.024431e-06 3.898277e-01 1.732114e-01 0.004395 0.001132 True md_ensemble 6 240 247 +CG1_GB1_29 N_GB1_30 1 0.000000e+00 2.665909e-06 ; 3.057141e-01 -2.665909e-06 9.974850e-01 9.694158e-01 0.004395 0.001132 True md_ensemble 4 240 244 +CG1_GB1_29 CA_GB1_30 1 0.000000e+00 2.398069e-05 ; 3.671274e-01 -2.398069e-05 7.222429e-01 7.324711e-01 0.004395 0.001132 True md_ensemble 5 240 246 +CG1_GB1_29 CB_GB1_30 1 0.000000e+00 9.024322e-06 ; 3.384124e-01 -9.024322e-06 3.898277e-01 1.732114e-01 0.004395 0.001132 True md_ensemble 6 240 247 CG1_GB1_29 CG_GB1_30 1 4.667394e-03 2.348582e-05 ; 4.139570e-01 2.318906e-01 3.473068e-01 7.100916e-02 0.004395 0.020719 True md_ensemble 7 240 248 CG1_GB1_29 CD1_GB1_30 1 2.826970e-03 7.669975e-06 ; 3.734612e-01 2.604884e-01 5.789585e-01 6.800064e-02 0.004395 0.020719 True md_ensemble 7 240 249 CG1_GB1_29 CD2_GB1_30 1 2.826970e-03 7.669975e-06 ; 3.734612e-01 2.604884e-01 5.789585e-01 6.800064e-02 0.004395 0.020719 True md_ensemble 7 240 250 CG1_GB1_29 CE1_GB1_30 1 4.148072e-03 1.690060e-05 ; 3.996465e-01 2.545250e-01 3.987282e-01 5.257057e-02 0.004395 0.020719 True md_ensemble 7 240 251 CG1_GB1_29 CE2_GB1_30 1 4.148072e-03 1.690060e-05 ; 3.996465e-01 2.545250e-01 3.987282e-01 5.257057e-02 0.004395 0.020719 True md_ensemble 7 240 252 CG1_GB1_29 CZ_GB1_30 1 4.686263e-03 3.337402e-05 ; 4.386286e-01 1.645071e-01 5.754828e-02 4.343760e-02 0.004395 0.020719 True md_ensemble 7 240 253 -CG1_GB1_29 C_GB1_30 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 254 +CG1_GB1_29 C_GB1_30 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 254 CG1_GB1_29 O_GB1_30 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 255 -CG1_GB1_29 N_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 256 -CG1_GB1_29 NZ_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 263 -CG1_GB1_29 C_GB1_31 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 264 +CG1_GB1_29 N_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 256 +CG1_GB1_29 NZ_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 263 +CG1_GB1_29 C_GB1_31 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 264 CG1_GB1_29 O_GB1_31 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 265 -CG1_GB1_29 N_GB1_32 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 266 +CG1_GB1_29 N_GB1_32 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 266 CG1_GB1_29 CB_GB1_32 1 7.036845e-03 8.110581e-05 ; 4.752758e-01 1.526314e-01 1.185398e-01 6.605823e-02 0.004395 0.012151 True md_ensemble 7 240 269 CG1_GB1_29 CG_GB1_32 1 5.518373e-03 5.808429e-05 ; 4.681388e-01 1.310700e-01 7.328887e-02 6.203034e-02 0.004395 0.012151 True md_ensemble 7 240 270 -CG1_GB1_29 CD_GB1_32 1 0.000000e+00 4.428211e-06 ; 3.189192e-01 -4.428211e-06 1.029883e-01 3.995459e-02 0.004395 0.001132 True md_ensemble 7 240 271 +CG1_GB1_29 CD_GB1_32 1 0.000000e+00 4.428153e-06 ; 3.189189e-01 -4.428153e-06 1.029883e-01 3.995459e-02 0.004395 0.001132 True md_ensemble 7 240 271 CG1_GB1_29 OE1_GB1_32 1 1.088399e-03 1.716315e-06 ; 3.411679e-01 1.725518e-01 1.128878e-01 2.766355e-02 0.004395 0.007862 True md_ensemble 7 240 272 -CG1_GB1_29 NE2_GB1_32 1 0.000000e+00 4.248444e-06 ; 3.178197e-01 -4.248444e-06 1.388818e-01 3.822940e-02 0.004395 0.001132 True md_ensemble 7 240 273 -CG1_GB1_29 C_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 274 +CG1_GB1_29 NE2_GB1_32 1 0.000000e+00 4.248436e-06 ; 3.178197e-01 -4.248436e-06 1.388818e-01 3.822940e-02 0.004395 0.001132 True md_ensemble 7 240 273 +CG1_GB1_29 C_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 274 CG1_GB1_29 O_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 275 -CG1_GB1_29 N_GB1_33 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 276 -CG1_GB1_29 CA_GB1_33 1 0.000000e+00 2.409956e-05 ; 3.672787e-01 -2.409956e-05 7.968687e-03 2.320355e-02 0.004395 0.010759 True md_ensemble 7 240 278 +CG1_GB1_29 N_GB1_33 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 276 +CG1_GB1_29 CA_GB1_33 1 0.000000e+00 2.409954e-05 ; 3.672787e-01 -2.409954e-05 7.968687e-03 2.320355e-02 0.004395 0.010759 True md_ensemble 7 240 278 CG1_GB1_29 CB_GB1_33 1 8.616316e-03 9.425222e-05 ; 4.711527e-01 1.969208e-01 1.123204e-01 2.652739e-02 0.004395 0.012151 True md_ensemble 7 240 279 CG1_GB1_29 CG_GB1_33 1 2.796189e-03 1.525250e-05 ; 4.195616e-01 1.281539e-01 1.356767e-02 1.661129e-02 0.004395 0.020719 True md_ensemble 7 240 280 CG1_GB1_29 CD1_GB1_33 1 1.899409e-03 5.577558e-06 ; 3.784172e-01 1.617086e-01 2.727256e-02 2.173290e-02 0.004395 0.020719 True md_ensemble 7 240 281 @@ -33257,138 +33257,138 @@ CG1_GB1_29 CD2_GB1_33 1 1.899409e-03 5.577558e-06 ; 3.784172e-01 1.617086e- CG1_GB1_29 CE1_GB1_33 1 8.314957e-04 1.137054e-06 ; 3.331605e-01 1.520124e-01 2.771976e-02 2.665650e-02 0.004395 0.020719 True md_ensemble 7 240 283 CG1_GB1_29 CE2_GB1_33 1 8.314957e-04 1.137054e-06 ; 3.331605e-01 1.520124e-01 2.771976e-02 2.665650e-02 0.004395 0.020719 True md_ensemble 7 240 284 CG1_GB1_29 CZ_GB1_33 1 7.753016e-04 8.925413e-07 ; 3.237374e-01 1.683655e-01 3.596534e-02 2.519059e-02 0.004395 0.020719 True md_ensemble 7 240 285 -CG1_GB1_29 OH_GB1_33 1 0.000000e+00 2.060860e-06 ; 2.992258e-01 -2.060860e-06 2.830050e-02 2.056509e-02 0.004395 0.001132 True md_ensemble 7 240 286 -CG1_GB1_29 C_GB1_33 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 287 +CG1_GB1_29 OH_GB1_33 1 0.000000e+00 2.060837e-06 ; 2.992255e-01 -2.060837e-06 2.830050e-02 2.056509e-02 0.004395 0.001132 True md_ensemble 7 240 286 +CG1_GB1_29 C_GB1_33 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 287 CG1_GB1_29 O_GB1_33 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 288 -CG1_GB1_29 N_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 289 -CG1_GB1_29 C_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 293 +CG1_GB1_29 N_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 289 +CG1_GB1_29 C_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 293 CG1_GB1_29 O_GB1_34 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 294 -CG1_GB1_29 N_GB1_35 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 295 -CG1_GB1_29 CG_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 299 +CG1_GB1_29 N_GB1_35 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 295 +CG1_GB1_29 CG_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 299 CG1_GB1_29 OD1_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 300 -CG1_GB1_29 ND2_GB1_35 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 301 -CG1_GB1_29 C_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 302 +CG1_GB1_29 ND2_GB1_35 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 301 +CG1_GB1_29 C_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 302 CG1_GB1_29 O_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 303 -CG1_GB1_29 N_GB1_36 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 304 -CG1_GB1_29 CG_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 308 +CG1_GB1_29 N_GB1_36 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 304 +CG1_GB1_29 CG_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 308 CG1_GB1_29 OD1_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 309 CG1_GB1_29 OD2_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 310 -CG1_GB1_29 C_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 311 +CG1_GB1_29 C_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 311 CG1_GB1_29 O_GB1_36 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 312 -CG1_GB1_29 N_GB1_37 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 313 -CG1_GB1_29 CG_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 317 +CG1_GB1_29 N_GB1_37 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 313 +CG1_GB1_29 CG_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 317 CG1_GB1_29 OD1_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 318 -CG1_GB1_29 ND2_GB1_37 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 319 -CG1_GB1_29 C_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 320 +CG1_GB1_29 ND2_GB1_37 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 319 +CG1_GB1_29 C_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 320 CG1_GB1_29 O_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 321 -CG1_GB1_29 N_GB1_38 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 322 -CG1_GB1_29 C_GB1_38 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 325 +CG1_GB1_29 N_GB1_38 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 322 +CG1_GB1_29 C_GB1_38 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 325 CG1_GB1_29 O_GB1_38 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 326 -CG1_GB1_29 N_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 327 -CG1_GB1_29 C_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 333 +CG1_GB1_29 N_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 327 +CG1_GB1_29 C_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 333 CG1_GB1_29 O_GB1_39 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 334 -CG1_GB1_29 N_GB1_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 335 -CG1_GB1_29 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 339 +CG1_GB1_29 N_GB1_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 335 +CG1_GB1_29 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 339 CG1_GB1_29 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 340 CG1_GB1_29 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 341 -CG1_GB1_29 C_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 342 +CG1_GB1_29 C_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 342 CG1_GB1_29 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 343 -CG1_GB1_29 N_GB1_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 344 -CG1_GB1_29 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 347 +CG1_GB1_29 N_GB1_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 344 +CG1_GB1_29 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 347 CG1_GB1_29 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 348 -CG1_GB1_29 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 349 -CG1_GB1_29 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 354 +CG1_GB1_29 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 349 +CG1_GB1_29 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 354 CG1_GB1_29 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 355 CG1_GB1_29 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 356 -CG1_GB1_29 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 357 +CG1_GB1_29 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 357 CG1_GB1_29 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 358 -CG1_GB1_29 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 359 -CG1_GB1_29 NE1_GB1_43 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 366 -CG1_GB1_29 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 372 +CG1_GB1_29 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 359 +CG1_GB1_29 NE1_GB1_43 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 366 +CG1_GB1_29 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 372 CG1_GB1_29 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 373 -CG1_GB1_29 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 374 -CG1_GB1_29 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 378 -CG1_GB1_29 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 380 +CG1_GB1_29 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 374 +CG1_GB1_29 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 378 +CG1_GB1_29 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 380 CG1_GB1_29 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 381 -CG1_GB1_29 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 382 -CG1_GB1_29 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 392 -CG1_GB1_29 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 393 +CG1_GB1_29 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 382 +CG1_GB1_29 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 392 +CG1_GB1_29 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 393 CG1_GB1_29 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 394 -CG1_GB1_29 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 395 -CG1_GB1_29 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 399 +CG1_GB1_29 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 395 +CG1_GB1_29 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 399 CG1_GB1_29 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 400 CG1_GB1_29 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 401 -CG1_GB1_29 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 402 +CG1_GB1_29 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 402 CG1_GB1_29 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 403 -CG1_GB1_29 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 404 -CG1_GB1_29 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 408 +CG1_GB1_29 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 404 +CG1_GB1_29 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 408 CG1_GB1_29 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 409 CG1_GB1_29 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 410 -CG1_GB1_29 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 411 +CG1_GB1_29 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 411 CG1_GB1_29 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 412 -CG1_GB1_29 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 413 -CG1_GB1_29 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 417 +CG1_GB1_29 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 413 +CG1_GB1_29 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 417 CG1_GB1_29 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 418 -CG1_GB1_29 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 419 -CG1_GB1_29 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 423 -CG1_GB1_29 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 425 +CG1_GB1_29 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 419 +CG1_GB1_29 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 423 +CG1_GB1_29 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 425 CG1_GB1_29 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 426 -CG1_GB1_29 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 427 -CG1_GB1_29 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 434 -CG1_GB1_29 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 435 +CG1_GB1_29 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 427 +CG1_GB1_29 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 434 +CG1_GB1_29 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 435 CG1_GB1_29 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 436 -CG1_GB1_29 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 437 -CG1_GB1_29 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 441 -CG1_GB1_29 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 443 +CG1_GB1_29 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 437 +CG1_GB1_29 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 441 +CG1_GB1_29 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 443 CG1_GB1_29 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 444 -CG1_GB1_29 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 445 -CG1_GB1_29 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 455 +CG1_GB1_29 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 445 +CG1_GB1_29 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 455 CG1_GB1_29 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 456 -CG1_GB1_29 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 457 -CG1_GB1_29 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 461 -CG1_GB1_29 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 463 +CG1_GB1_29 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 457 +CG1_GB1_29 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 461 +CG1_GB1_29 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 463 CG1_GB1_29 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 464 -CG1_GB1_29 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 465 -CG1_GB1_29 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 471 +CG1_GB1_29 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 465 +CG1_GB1_29 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 471 CG1_GB1_29 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 472 -CG1_GB1_29 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 473 -CG1_GB1_29 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 477 -CG1_GB1_29 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 479 +CG1_GB1_29 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 473 +CG1_GB1_29 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 477 +CG1_GB1_29 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 479 CG1_GB1_29 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 480 -CG1_GB1_29 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 481 -CG1_GB1_29 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 486 +CG1_GB1_29 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 481 +CG1_GB1_29 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 486 CG1_GB1_29 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 487 CG1_GB1_29 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 488 -CG1_GB1_29 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 489 +CG1_GB1_29 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 489 CG1_GB1_29 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 490 CG1_GB1_29 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 240 491 -CG2_GB1_29 C_GB1_29 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 242 +CG2_GB1_29 C_GB1_29 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 242 CG2_GB1_29 O_GB1_29 1 0.000000e+00 1.542972e-06 ; 2.920955e-01 -1.542972e-06 9.105631e-01 9.364812e-01 0.004395 0.001132 True md_ensemble 4 241 243 -CG2_GB1_29 N_GB1_30 1 0.000000e+00 2.643197e-06 ; 3.054962e-01 -2.643197e-06 9.997925e-01 9.634339e-01 0.004395 0.001132 True md_ensemble 4 241 244 -CG2_GB1_29 CA_GB1_30 1 0.000000e+00 2.056831e-05 ; 3.624612e-01 -2.056831e-05 7.960752e-01 6.625502e-01 0.004395 0.001132 True md_ensemble 5 241 246 -CG2_GB1_29 CB_GB1_30 1 0.000000e+00 9.846006e-06 ; 3.408788e-01 -9.846006e-06 3.244382e-01 1.791403e-01 0.004395 0.001132 True md_ensemble 6 241 247 +CG2_GB1_29 N_GB1_30 1 0.000000e+00 2.643172e-06 ; 3.054959e-01 -2.643172e-06 9.997925e-01 9.634339e-01 0.004395 0.001132 True md_ensemble 4 241 244 +CG2_GB1_29 CA_GB1_30 1 0.000000e+00 2.056830e-05 ; 3.624612e-01 -2.056830e-05 7.960752e-01 6.625502e-01 0.004395 0.001132 True md_ensemble 5 241 246 +CG2_GB1_29 CB_GB1_30 1 0.000000e+00 9.845886e-06 ; 3.408785e-01 -9.845886e-06 3.244382e-01 1.791403e-01 0.004395 0.001132 True md_ensemble 6 241 247 CG2_GB1_29 CG_GB1_30 1 3.855990e-03 1.760750e-05 ; 4.073118e-01 2.111126e-01 3.122954e-01 9.551586e-02 0.004395 0.020719 True md_ensemble 7 241 248 CG2_GB1_29 CD1_GB1_30 1 2.418444e-03 6.560835e-06 ; 3.734541e-01 2.228707e-01 3.374680e-01 8.217940e-02 0.004395 0.020719 True md_ensemble 7 241 249 CG2_GB1_29 CD2_GB1_30 1 2.418444e-03 6.560835e-06 ; 3.734541e-01 2.228707e-01 3.374680e-01 8.217940e-02 0.004395 0.020719 True md_ensemble 7 241 250 CG2_GB1_29 CE1_GB1_30 1 3.615285e-03 1.531743e-05 ; 4.022604e-01 2.133237e-01 2.283176e-01 6.690161e-02 0.004395 0.020719 True md_ensemble 7 241 251 CG2_GB1_29 CE2_GB1_30 1 3.615285e-03 1.531743e-05 ; 4.022604e-01 2.133237e-01 2.283176e-01 6.690161e-02 0.004395 0.020719 True md_ensemble 7 241 252 CG2_GB1_29 CZ_GB1_30 1 4.451204e-03 3.235654e-05 ; 4.401298e-01 1.530851e-01 5.965009e-02 5.618177e-02 0.004395 0.020719 True md_ensemble 7 241 253 -CG2_GB1_29 C_GB1_30 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 254 +CG2_GB1_29 C_GB1_30 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 254 CG2_GB1_29 O_GB1_30 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 255 -CG2_GB1_29 N_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 256 -CG2_GB1_29 NZ_GB1_31 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 263 -CG2_GB1_29 C_GB1_31 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 264 +CG2_GB1_29 N_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 256 +CG2_GB1_29 NZ_GB1_31 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 263 +CG2_GB1_29 C_GB1_31 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 264 CG2_GB1_29 O_GB1_31 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 265 -CG2_GB1_29 N_GB1_32 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 266 -CG2_GB1_29 CA_GB1_32 1 0.000000e+00 2.463811e-05 ; 3.679558e-01 -2.463811e-05 2.016105e-02 5.808349e-02 0.004395 0.010759 True md_ensemble 7 241 268 +CG2_GB1_29 N_GB1_32 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 266 +CG2_GB1_29 CA_GB1_32 1 0.000000e+00 2.463810e-05 ; 3.679558e-01 -2.463810e-05 2.016105e-02 5.808349e-02 0.004395 0.010759 True md_ensemble 7 241 268 CG2_GB1_29 CB_GB1_32 1 4.790743e-03 3.769797e-05 ; 4.459839e-01 1.522046e-01 9.922443e-02 5.575381e-02 0.004395 0.012151 True md_ensemble 7 241 269 CG2_GB1_29 CG_GB1_32 1 3.708504e-03 2.797084e-05 ; 4.428444e-01 1.229227e-01 5.637846e-02 5.588094e-02 0.004395 0.012151 True md_ensemble 7 241 270 -CG2_GB1_29 CD_GB1_32 1 0.000000e+00 4.623841e-06 ; 3.200702e-01 -4.623841e-06 5.902351e-02 3.738321e-02 0.004395 0.001132 True md_ensemble 7 241 271 +CG2_GB1_29 CD_GB1_32 1 0.000000e+00 4.623781e-06 ; 3.200699e-01 -4.623781e-06 5.902351e-02 3.738321e-02 0.004395 0.001132 True md_ensemble 7 241 271 CG2_GB1_29 OE1_GB1_32 1 9.355266e-04 1.467522e-06 ; 3.408694e-01 1.490966e-01 6.189721e-02 2.389884e-02 0.004395 0.007862 True md_ensemble 7 241 272 -CG2_GB1_29 NE2_GB1_32 1 0.000000e+00 4.322676e-06 ; 3.182788e-01 -4.322676e-06 1.193274e-01 3.438899e-02 0.004395 0.001132 True md_ensemble 7 241 273 -CG2_GB1_29 C_GB1_32 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 274 +CG2_GB1_29 NE2_GB1_32 1 0.000000e+00 4.322668e-06 ; 3.182788e-01 -4.322668e-06 1.193274e-01 3.438899e-02 0.004395 0.001132 True md_ensemble 7 241 273 +CG2_GB1_29 C_GB1_32 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 274 CG2_GB1_29 O_GB1_32 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 275 -CG2_GB1_29 N_GB1_33 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 276 +CG2_GB1_29 N_GB1_33 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 276 CG2_GB1_29 CA_GB1_33 1 5.509536e-03 1.068384e-04 ; 5.183249e-01 7.103014e-02 7.138377e-03 1.712846e-02 0.004395 0.010759 True md_ensemble 7 241 278 CG2_GB1_29 CB_GB1_33 1 6.123071e-03 6.675145e-05 ; 4.708854e-01 1.404164e-01 2.877886e-02 2.032180e-02 0.004395 0.012151 True md_ensemble 7 241 279 CG2_GB1_29 CG_GB1_33 1 1.933040e-03 1.064012e-05 ; 4.201951e-01 8.779610e-02 6.205462e-03 1.195042e-02 0.004395 0.020719 True md_ensemble 7 241 280 @@ -33397,124 +33397,124 @@ CG2_GB1_29 CD2_GB1_33 1 1.547888e-03 5.175735e-06 ; 3.866982e-01 1.157302e- CG2_GB1_29 CE1_GB1_33 1 8.082391e-04 1.247314e-06 ; 3.399429e-01 1.309315e-01 1.512391e-02 2.188451e-02 0.004395 0.020719 True md_ensemble 7 241 283 CG2_GB1_29 CE2_GB1_33 1 8.082391e-04 1.247314e-06 ; 3.399429e-01 1.309315e-01 1.512391e-02 2.188451e-02 0.004395 0.020719 True md_ensemble 7 241 284 CG2_GB1_29 CZ_GB1_33 1 6.760979e-04 8.304586e-07 ; 3.272538e-01 1.376072e-01 1.629607e-02 1.968701e-02 0.004395 0.020719 True md_ensemble 7 241 285 -CG2_GB1_29 OH_GB1_33 1 0.000000e+00 2.084634e-06 ; 2.995119e-01 -2.084634e-06 1.405321e-02 1.776440e-02 0.004395 0.001132 True md_ensemble 7 241 286 -CG2_GB1_29 C_GB1_33 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 287 +CG2_GB1_29 OH_GB1_33 1 0.000000e+00 2.084611e-06 ; 2.995117e-01 -2.084611e-06 1.405321e-02 1.776440e-02 0.004395 0.001132 True md_ensemble 7 241 286 +CG2_GB1_29 C_GB1_33 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 287 CG2_GB1_29 O_GB1_33 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 288 -CG2_GB1_29 N_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 289 -CG2_GB1_29 C_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 293 +CG2_GB1_29 N_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 289 +CG2_GB1_29 C_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 293 CG2_GB1_29 O_GB1_34 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 294 -CG2_GB1_29 N_GB1_35 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 295 -CG2_GB1_29 CG_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 299 +CG2_GB1_29 N_GB1_35 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 295 +CG2_GB1_29 CG_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 299 CG2_GB1_29 OD1_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 300 -CG2_GB1_29 ND2_GB1_35 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 301 -CG2_GB1_29 C_GB1_35 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 302 +CG2_GB1_29 ND2_GB1_35 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 301 +CG2_GB1_29 C_GB1_35 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 302 CG2_GB1_29 O_GB1_35 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 303 -CG2_GB1_29 N_GB1_36 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 304 -CG2_GB1_29 CG_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 308 +CG2_GB1_29 N_GB1_36 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 304 +CG2_GB1_29 CG_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 308 CG2_GB1_29 OD1_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 309 CG2_GB1_29 OD2_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 310 -CG2_GB1_29 C_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 311 +CG2_GB1_29 C_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 311 CG2_GB1_29 O_GB1_36 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 312 -CG2_GB1_29 N_GB1_37 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 313 -CG2_GB1_29 CG_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 317 +CG2_GB1_29 N_GB1_37 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 313 +CG2_GB1_29 CG_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 317 CG2_GB1_29 OD1_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 318 -CG2_GB1_29 ND2_GB1_37 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 319 -CG2_GB1_29 C_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 320 +CG2_GB1_29 ND2_GB1_37 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 319 +CG2_GB1_29 C_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 320 CG2_GB1_29 O_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 321 -CG2_GB1_29 N_GB1_38 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 322 -CG2_GB1_29 C_GB1_38 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 325 +CG2_GB1_29 N_GB1_38 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 322 +CG2_GB1_29 C_GB1_38 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 325 CG2_GB1_29 O_GB1_38 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 326 -CG2_GB1_29 N_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 327 -CG2_GB1_29 C_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 333 +CG2_GB1_29 N_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 327 +CG2_GB1_29 C_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 333 CG2_GB1_29 O_GB1_39 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 334 -CG2_GB1_29 N_GB1_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 335 -CG2_GB1_29 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 339 +CG2_GB1_29 N_GB1_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 335 +CG2_GB1_29 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 339 CG2_GB1_29 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 340 CG2_GB1_29 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 341 -CG2_GB1_29 C_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 342 +CG2_GB1_29 C_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 342 CG2_GB1_29 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 343 -CG2_GB1_29 N_GB1_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 344 -CG2_GB1_29 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 347 +CG2_GB1_29 N_GB1_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 344 +CG2_GB1_29 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 347 CG2_GB1_29 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 348 -CG2_GB1_29 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 349 -CG2_GB1_29 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 354 +CG2_GB1_29 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 349 +CG2_GB1_29 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 354 CG2_GB1_29 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 355 CG2_GB1_29 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 356 -CG2_GB1_29 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 357 +CG2_GB1_29 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 357 CG2_GB1_29 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 358 -CG2_GB1_29 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 359 -CG2_GB1_29 NE1_GB1_43 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 366 -CG2_GB1_29 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 372 +CG2_GB1_29 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 359 +CG2_GB1_29 NE1_GB1_43 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 366 +CG2_GB1_29 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 372 CG2_GB1_29 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 373 -CG2_GB1_29 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 374 -CG2_GB1_29 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 378 -CG2_GB1_29 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 380 +CG2_GB1_29 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 374 +CG2_GB1_29 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 378 +CG2_GB1_29 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 380 CG2_GB1_29 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 381 -CG2_GB1_29 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 382 -CG2_GB1_29 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 392 -CG2_GB1_29 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 393 +CG2_GB1_29 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 382 +CG2_GB1_29 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 392 +CG2_GB1_29 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 393 CG2_GB1_29 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 394 -CG2_GB1_29 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 395 -CG2_GB1_29 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 399 +CG2_GB1_29 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 395 +CG2_GB1_29 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 399 CG2_GB1_29 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 400 CG2_GB1_29 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 401 -CG2_GB1_29 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 402 +CG2_GB1_29 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 402 CG2_GB1_29 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 403 -CG2_GB1_29 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 404 -CG2_GB1_29 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 408 +CG2_GB1_29 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 404 +CG2_GB1_29 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 408 CG2_GB1_29 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 409 CG2_GB1_29 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 410 -CG2_GB1_29 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 411 +CG2_GB1_29 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 411 CG2_GB1_29 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 412 -CG2_GB1_29 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 413 -CG2_GB1_29 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 417 +CG2_GB1_29 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 413 +CG2_GB1_29 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 417 CG2_GB1_29 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 418 -CG2_GB1_29 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 419 -CG2_GB1_29 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 423 -CG2_GB1_29 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 425 +CG2_GB1_29 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 419 +CG2_GB1_29 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 423 +CG2_GB1_29 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 425 CG2_GB1_29 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 426 -CG2_GB1_29 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 427 -CG2_GB1_29 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 434 -CG2_GB1_29 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 435 +CG2_GB1_29 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 427 +CG2_GB1_29 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 434 +CG2_GB1_29 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 435 CG2_GB1_29 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 436 -CG2_GB1_29 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 437 -CG2_GB1_29 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 441 -CG2_GB1_29 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 443 +CG2_GB1_29 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 437 +CG2_GB1_29 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 441 +CG2_GB1_29 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 443 CG2_GB1_29 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 444 -CG2_GB1_29 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 445 -CG2_GB1_29 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 455 +CG2_GB1_29 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 445 +CG2_GB1_29 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 455 CG2_GB1_29 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 456 -CG2_GB1_29 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 457 -CG2_GB1_29 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 461 -CG2_GB1_29 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 463 +CG2_GB1_29 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 457 +CG2_GB1_29 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 461 +CG2_GB1_29 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 463 CG2_GB1_29 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 464 -CG2_GB1_29 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 465 -CG2_GB1_29 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 471 +CG2_GB1_29 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 465 +CG2_GB1_29 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 471 CG2_GB1_29 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 472 -CG2_GB1_29 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 473 -CG2_GB1_29 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 477 -CG2_GB1_29 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 479 +CG2_GB1_29 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 473 +CG2_GB1_29 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 477 +CG2_GB1_29 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 479 CG2_GB1_29 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 480 -CG2_GB1_29 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 481 -CG2_GB1_29 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 486 +CG2_GB1_29 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 481 +CG2_GB1_29 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 486 CG2_GB1_29 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 487 CG2_GB1_29 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 488 -CG2_GB1_29 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 489 +CG2_GB1_29 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 489 CG2_GB1_29 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 490 CG2_GB1_29 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 241 491 - C_GB1_29 CB_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 247 - C_GB1_29 CG_GB1_30 1 0.000000e+00 2.490355e-06 ; 3.039836e-01 -2.490355e-06 1.000000e+00 9.583558e-01 0.004395 0.001132 True md_ensemble 4 242 248 - C_GB1_29 CD1_GB1_30 1 0.000000e+00 1.617166e-06 ; 2.932409e-01 -1.617166e-06 9.987923e-01 6.211215e-01 0.004395 0.001132 True md_ensemble 5 242 249 - C_GB1_29 CD2_GB1_30 1 0.000000e+00 1.617166e-06 ; 2.932409e-01 -1.617166e-06 9.987923e-01 6.211215e-01 0.004395 0.001132 True md_ensemble 5 242 250 - C_GB1_29 CE1_GB1_30 1 0.000000e+00 2.922857e-06 ; 3.080673e-01 -2.922857e-06 4.883742e-02 1.736320e-01 0.004395 0.001132 True md_ensemble 6 242 251 - C_GB1_29 CE2_GB1_30 1 0.000000e+00 2.922857e-06 ; 3.080673e-01 -2.922857e-06 4.883742e-02 1.736320e-01 0.004395 0.001132 True md_ensemble 6 242 252 - C_GB1_29 O_GB1_30 1 0.000000e+00 7.058466e-07 ; 2.736660e-01 -7.058466e-07 9.985008e-01 8.520623e-01 0.004395 0.001132 True md_ensemble 4 242 255 - C_GB1_29 N_GB1_31 1 0.000000e+00 1.443702e-06 ; 2.904813e-01 -1.443702e-06 1.000000e+00 9.572678e-01 0.004395 0.001132 True md_ensemble 4 242 256 - C_GB1_29 CA_GB1_31 1 0.000000e+00 1.036788e-05 ; 3.423491e-01 -1.036788e-05 9.999966e-01 7.943563e-01 0.004395 0.001132 True md_ensemble 5 242 258 - C_GB1_29 CB_GB1_31 1 0.000000e+00 4.756846e-06 ; 3.208275e-01 -4.756846e-06 4.461586e-01 1.971651e-01 0.004395 0.001132 True md_ensemble 6 242 259 - C_GB1_29 CG_GB1_31 1 0.000000e+00 7.343634e-06 ; 3.326500e-01 -7.343634e-06 9.011195e-03 1.684175e-01 0.004395 0.001132 True md_ensemble 7 242 260 - C_GB1_29 CD_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 261 - C_GB1_29 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 262 + C_GB1_29 CB_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 247 + C_GB1_29 CG_GB1_30 1 0.000000e+00 2.490310e-06 ; 3.039831e-01 -2.490310e-06 1.000000e+00 9.583558e-01 0.004395 0.001132 True md_ensemble 4 242 248 + C_GB1_29 CD1_GB1_30 1 0.000000e+00 1.617137e-06 ; 2.932405e-01 -1.617137e-06 9.987923e-01 6.211215e-01 0.004395 0.001132 True md_ensemble 5 242 249 + C_GB1_29 CD2_GB1_30 1 0.000000e+00 1.617137e-06 ; 2.932405e-01 -1.617137e-06 9.987923e-01 6.211215e-01 0.004395 0.001132 True md_ensemble 5 242 250 + C_GB1_29 CE1_GB1_30 1 0.000000e+00 2.922806e-06 ; 3.080669e-01 -2.922806e-06 4.883742e-02 1.736320e-01 0.004395 0.001132 True md_ensemble 6 242 251 + C_GB1_29 CE2_GB1_30 1 0.000000e+00 2.922806e-06 ; 3.080669e-01 -2.922806e-06 4.883742e-02 1.736320e-01 0.004395 0.001132 True md_ensemble 6 242 252 + C_GB1_29 O_GB1_30 1 0.000000e+00 7.058433e-07 ; 2.736659e-01 -7.058433e-07 9.985008e-01 8.520623e-01 0.004395 0.001132 True md_ensemble 4 242 255 + C_GB1_29 N_GB1_31 1 0.000000e+00 1.443682e-06 ; 2.904809e-01 -1.443682e-06 1.000000e+00 9.572678e-01 0.004395 0.001132 True md_ensemble 4 242 256 + C_GB1_29 CA_GB1_31 1 0.000000e+00 1.036782e-05 ; 3.423489e-01 -1.036782e-05 9.999966e-01 7.943563e-01 0.004395 0.001132 True md_ensemble 5 242 258 + C_GB1_29 CB_GB1_31 1 0.000000e+00 4.756766e-06 ; 3.208271e-01 -4.756766e-06 4.461586e-01 1.971651e-01 0.004395 0.001132 True md_ensemble 6 242 259 + C_GB1_29 CG_GB1_31 1 0.000000e+00 7.343511e-06 ; 3.326496e-01 -7.343511e-06 9.011195e-03 1.684175e-01 0.004395 0.001132 True md_ensemble 7 242 260 + C_GB1_29 CD_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 261 + C_GB1_29 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 262 C_GB1_29 C_GB1_31 1 2.521464e-03 1.279179e-05 ; 4.145209e-01 1.242550e-01 8.686306e-01 7.813746e-02 0.004395 0.001132 True md_ensemble 6 242 264 C_GB1_29 N_GB1_32 1 1.466770e-03 2.317654e-06 ; 3.412828e-01 2.320682e-01 9.949968e-01 1.133502e-01 0.004395 0.011584 True md_ensemble 7 242 266 C_GB1_29 CA_GB1_32 1 3.879931e-03 1.750283e-05 ; 4.064877e-01 2.150204e-01 9.959872e-01 1.156189e-01 0.004395 0.008482 True md_ensemble 7 242 268 @@ -33533,55 +33533,55 @@ CG2_GB1_29 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- C_GB1_29 CE1_GB1_33 1 1.894430e-03 6.018503e-06 ; 3.834143e-01 1.490764e-01 3.208825e-02 2.403240e-02 0.004395 0.015243 True md_ensemble 7 242 283 C_GB1_29 CE2_GB1_33 1 1.894430e-03 6.018503e-06 ; 3.834143e-01 1.490764e-01 3.208825e-02 2.403240e-02 0.004395 0.015243 True md_ensemble 7 242 284 C_GB1_29 CZ_GB1_33 1 2.391518e-03 1.021723e-05 ; 4.028190e-01 1.399440e-01 1.705114e-02 1.090960e-02 0.004395 0.015243 True md_ensemble 7 242 285 - C_GB1_29 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 292 - C_GB1_29 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 298 - C_GB1_29 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 307 - C_GB1_29 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 316 - C_GB1_29 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 324 - C_GB1_29 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 330 - C_GB1_29 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 331 - C_GB1_29 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 332 - C_GB1_29 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 338 - C_GB1_29 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 346 - C_GB1_29 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 352 - C_GB1_29 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 353 - C_GB1_29 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 362 - C_GB1_29 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 377 - C_GB1_29 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 379 - C_GB1_29 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 385 - C_GB1_29 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 398 - C_GB1_29 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 407 - C_GB1_29 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 416 - C_GB1_29 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 422 - C_GB1_29 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 424 - C_GB1_29 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 430 - C_GB1_29 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 431 - C_GB1_29 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 432 - C_GB1_29 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 433 - C_GB1_29 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 440 - C_GB1_29 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 442 - C_GB1_29 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 448 - C_GB1_29 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 460 - C_GB1_29 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 462 - C_GB1_29 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 468 - C_GB1_29 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 469 - C_GB1_29 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 470 - C_GB1_29 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 476 - C_GB1_29 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 478 - C_GB1_29 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 484 - C_GB1_29 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 485 + C_GB1_29 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 292 + C_GB1_29 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 298 + C_GB1_29 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 307 + C_GB1_29 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 316 + C_GB1_29 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 324 + C_GB1_29 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 330 + C_GB1_29 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 331 + C_GB1_29 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 332 + C_GB1_29 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 338 + C_GB1_29 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 346 + C_GB1_29 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 352 + C_GB1_29 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 353 + C_GB1_29 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 362 + C_GB1_29 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 377 + C_GB1_29 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 379 + C_GB1_29 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 385 + C_GB1_29 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 398 + C_GB1_29 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 407 + C_GB1_29 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 416 + C_GB1_29 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 422 + C_GB1_29 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 424 + C_GB1_29 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 430 + C_GB1_29 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 431 + C_GB1_29 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 432 + C_GB1_29 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 433 + C_GB1_29 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 440 + C_GB1_29 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 442 + C_GB1_29 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 448 + C_GB1_29 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 460 + C_GB1_29 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 462 + C_GB1_29 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 468 + C_GB1_29 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 469 + C_GB1_29 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 470 + C_GB1_29 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 476 + C_GB1_29 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 478 + C_GB1_29 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 484 + C_GB1_29 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 242 485 O_GB1_29 O_GB1_29 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 243 243 O_GB1_29 H_GB1_30 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 243 245 - O_GB1_29 CB_GB1_30 1 0.000000e+00 2.015562e-06 ; 2.986721e-01 -2.015562e-06 1.000000e+00 9.999531e-01 0.004395 0.001132 True md_ensemble 4 243 247 - O_GB1_29 CG_GB1_30 1 0.000000e+00 1.163515e-06 ; 2.853050e-01 -1.163515e-06 6.635101e-02 4.733590e-01 0.004395 0.001132 True md_ensemble 5 243 248 - O_GB1_29 CD1_GB1_30 1 0.000000e+00 7.604430e-07 ; 2.753704e-01 -7.604430e-07 3.429423e-01 2.625258e-01 0.004395 0.001132 True md_ensemble 6 243 249 - O_GB1_29 CD2_GB1_30 1 0.000000e+00 7.604430e-07 ; 2.753704e-01 -7.604430e-07 3.429423e-01 2.625258e-01 0.004395 0.001132 True md_ensemble 6 243 250 - O_GB1_29 C_GB1_30 1 0.000000e+00 8.203699e-07 ; 2.771166e-01 -8.203699e-07 9.999947e-01 9.920462e-01 0.004395 0.001132 True md_ensemble 4 243 254 + O_GB1_29 CB_GB1_30 1 0.000000e+00 2.015554e-06 ; 2.986720e-01 -2.015554e-06 1.000000e+00 9.999531e-01 0.004395 0.001132 True md_ensemble 4 243 247 + O_GB1_29 CG_GB1_30 1 0.000000e+00 1.163510e-06 ; 2.853049e-01 -1.163510e-06 6.635101e-02 4.733590e-01 0.004395 0.001132 True md_ensemble 5 243 248 + O_GB1_29 CD1_GB1_30 1 0.000000e+00 7.604395e-07 ; 2.753703e-01 -7.604395e-07 3.429423e-01 2.625258e-01 0.004395 0.001132 True md_ensemble 6 243 249 + O_GB1_29 CD2_GB1_30 1 0.000000e+00 7.604395e-07 ; 2.753703e-01 -7.604395e-07 3.429423e-01 2.625258e-01 0.004395 0.001132 True md_ensemble 6 243 250 + O_GB1_29 C_GB1_30 1 0.000000e+00 8.203661e-07 ; 2.771165e-01 -8.203661e-07 9.999947e-01 9.920462e-01 0.004395 0.001132 True md_ensemble 4 243 254 O_GB1_29 O_GB1_30 1 0.000000e+00 1.156048e-06 ; 2.851519e-01 -1.156048e-06 9.999251e-01 7.706235e-01 0.004395 0.001132 True md_ensemble 5 243 255 O_GB1_29 N_GB1_31 1 0.000000e+00 1.257910e-06 ; 2.871656e-01 -1.257910e-06 9.999957e-01 8.386024e-01 0.004395 0.001132 True md_ensemble 5 243 256 - O_GB1_29 H_GB1_31 1 0.000000e+00 1.692757e-08 ; 2.005447e-01 -1.692757e-08 5.391095e-02 1.448718e-01 0.004395 0.001132 True md_ensemble 6 243 257 - O_GB1_29 CA_GB1_31 1 0.000000e+00 1.944524e-06 ; 2.977804e-01 -1.944524e-06 9.812521e-01 4.494178e-01 0.004395 0.001132 True md_ensemble 6 243 258 - O_GB1_29 CB_GB1_31 1 0.000000e+00 2.207777e-06 ; 3.009479e-01 -2.207777e-06 9.244392e-03 1.045587e-01 0.004395 0.007862 True md_ensemble 7 243 259 + O_GB1_29 H_GB1_31 1 0.000000e+00 1.692783e-08 ; 2.005450e-01 -1.692783e-08 5.391095e-02 1.448718e-01 0.004395 0.001132 True md_ensemble 6 243 257 + O_GB1_29 CA_GB1_31 1 0.000000e+00 1.944539e-06 ; 2.977806e-01 -1.944539e-06 9.812521e-01 4.494178e-01 0.004395 0.001132 True md_ensemble 6 243 258 + O_GB1_29 CB_GB1_31 1 0.000000e+00 2.207769e-06 ; 3.009478e-01 -2.207769e-06 9.244392e-03 1.045587e-01 0.004395 0.007862 True md_ensemble 7 243 259 O_GB1_29 CG_GB1_31 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 9.823975e-04 1.397261e-01 0.004395 0.007862 True md_ensemble 7 243 260 O_GB1_29 CD_GB1_31 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.422598e-02 0.004395 0.007862 True md_ensemble 7 243 261 O_GB1_29 CE_GB1_31 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.627417e-02 0.004395 0.007862 True md_ensemble 7 243 262 @@ -33707,24 +33707,24 @@ CG2_GB1_29 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- O_GB1_29 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 243 488 O_GB1_29 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 243 490 O_GB1_29 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 243 491 - N_GB1_30 CB_GB1_30 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 247 - N_GB1_30 CD1_GB1_30 1 0.000000e+00 1.350271e-06 ; 2.888662e-01 -1.350271e-06 9.999016e-01 8.952183e-01 0.004395 0.001132 True md_ensemble 4 244 249 - N_GB1_30 CD2_GB1_30 1 0.000000e+00 1.350271e-06 ; 2.888662e-01 -1.350271e-06 9.999016e-01 8.952183e-01 0.004395 0.001132 True md_ensemble 4 244 250 - N_GB1_30 CE1_GB1_30 1 0.000000e+00 1.111215e-06 ; 2.842136e-01 -1.111215e-06 5.866574e-01 3.234647e-01 0.004395 0.001132 True md_ensemble 5 244 251 - N_GB1_30 CE2_GB1_30 1 0.000000e+00 1.111215e-06 ; 2.842136e-01 -1.111215e-06 5.866574e-01 3.234647e-01 0.004395 0.001132 True md_ensemble 5 244 252 + N_GB1_30 CB_GB1_30 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 247 + N_GB1_30 CD1_GB1_30 1 0.000000e+00 1.350252e-06 ; 2.888659e-01 -1.350252e-06 9.999016e-01 8.952183e-01 0.004395 0.001132 True md_ensemble 4 244 249 + N_GB1_30 CD2_GB1_30 1 0.000000e+00 1.350252e-06 ; 2.888659e-01 -1.350252e-06 9.999016e-01 8.952183e-01 0.004395 0.001132 True md_ensemble 4 244 250 + N_GB1_30 CE1_GB1_30 1 0.000000e+00 1.111199e-06 ; 2.842133e-01 -1.111199e-06 5.866574e-01 3.234647e-01 0.004395 0.001132 True md_ensemble 5 244 251 + N_GB1_30 CE2_GB1_30 1 0.000000e+00 1.111199e-06 ; 2.842133e-01 -1.111199e-06 5.866574e-01 3.234647e-01 0.004395 0.001132 True md_ensemble 5 244 252 N_GB1_30 CZ_GB1_30 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 1.773375e-04 2.681587e-02 0.004395 0.001132 True md_ensemble 6 244 253 - N_GB1_30 CA_GB1_31 1 0.000000e+00 7.574011e-06 ; 3.335074e-01 -7.574011e-06 9.999977e-01 9.998678e-01 0.004395 0.001132 True md_ensemble 4 244 258 - N_GB1_30 CB_GB1_31 1 0.000000e+00 2.284034e-06 ; 3.018007e-01 -2.284034e-06 6.888666e-01 3.101895e-01 0.004395 0.001132 True md_ensemble 5 244 259 - N_GB1_30 CG_GB1_31 1 0.000000e+00 4.334785e-06 ; 3.183530e-01 -4.334785e-06 7.182877e-03 1.863692e-01 0.004395 0.001132 True md_ensemble 6 244 260 - N_GB1_30 CD_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 261 - N_GB1_30 CE_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 262 + N_GB1_30 CA_GB1_31 1 0.000000e+00 7.573999e-06 ; 3.335074e-01 -7.573999e-06 9.999977e-01 9.998678e-01 0.004395 0.001132 True md_ensemble 4 244 258 + N_GB1_30 CB_GB1_31 1 0.000000e+00 2.284004e-06 ; 3.018003e-01 -2.284004e-06 6.888666e-01 3.101895e-01 0.004395 0.001132 True md_ensemble 5 244 259 + N_GB1_30 CG_GB1_31 1 0.000000e+00 4.334728e-06 ; 3.183527e-01 -4.334728e-06 7.182877e-03 1.863692e-01 0.004395 0.001132 True md_ensemble 6 244 260 + N_GB1_30 CD_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 261 + N_GB1_30 CE_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 262 N_GB1_30 NZ_GB1_31 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 2.044983e-03 0.004395 0.001132 True md_ensemble 7 244 263 N_GB1_30 C_GB1_31 1 2.168995e-03 1.058327e-05 ; 4.118384e-01 1.111316e-01 4.168703e-01 4.836132e-02 0.004395 0.001132 True md_ensemble 5 244 264 N_GB1_30 O_GB1_31 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 0.000000e+00 6.059153e-02 0.004395 0.001132 True md_ensemble 6 244 265 N_GB1_30 N_GB1_32 1 1.488110e-03 4.229008e-06 ; 3.763575e-01 1.309097e-01 8.172323e-01 6.461765e-02 0.004395 0.001132 True md_ensemble 6 244 266 N_GB1_30 CA_GB1_32 1 1.028879e-02 1.001523e-04 ; 4.620789e-01 2.642454e-01 6.821686e-01 3.049970e-02 0.004395 0.008482 True md_ensemble 7 244 268 N_GB1_30 CB_GB1_32 1 4.018802e-03 2.949190e-05 ; 4.408265e-01 1.369085e-01 1.362086e-01 9.587643e-03 0.004395 0.001132 True md_ensemble 7 244 269 - N_GB1_30 CG_GB1_32 1 0.000000e+00 3.641079e-06 ; 3.137600e-01 -3.641079e-06 2.314538e-02 1.362361e-02 0.004395 0.001132 True md_ensemble 7 244 270 + N_GB1_30 CG_GB1_32 1 0.000000e+00 3.641031e-06 ; 3.137596e-01 -3.641031e-06 2.314538e-02 1.362361e-02 0.004395 0.001132 True md_ensemble 7 244 270 N_GB1_30 N_GB1_33 1 2.911615e-03 1.109731e-05 ; 3.952276e-01 1.909810e-01 5.694670e-02 1.405384e-03 0.004395 0.001132 True md_ensemble 7 244 276 N_GB1_30 CA_GB1_33 1 1.090361e-02 1.214279e-04 ; 4.725612e-01 2.447721e-01 2.042131e-01 1.331720e-02 0.004395 0.008482 True md_ensemble 7 244 278 N_GB1_30 CB_GB1_33 1 3.709055e-03 2.217527e-05 ; 4.260242e-01 1.550949e-01 6.173715e-01 3.054649e-02 0.004395 0.001132 True md_ensemble 7 244 279 @@ -33734,66 +33734,66 @@ CG2_GB1_29 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- N_GB1_30 CE1_GB1_33 1 1.274138e-03 5.196742e-06 ; 3.997169e-01 7.809831e-02 5.617475e-03 1.665284e-02 0.004395 0.015244 True md_ensemble 7 244 283 N_GB1_30 CE2_GB1_33 1 1.274138e-03 5.196742e-06 ; 3.997169e-01 7.809831e-02 5.617475e-03 1.665284e-02 0.004395 0.015244 True md_ensemble 7 244 284 N_GB1_30 N_GB1_34 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 3.997459e-04 0.004395 0.001132 True md_ensemble 7 244 289 - N_GB1_30 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 292 + N_GB1_30 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 292 N_GB1_30 N_GB1_35 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 244 295 - N_GB1_30 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 298 + N_GB1_30 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 298 N_GB1_30 N_GB1_36 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 244 304 - N_GB1_30 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 307 + N_GB1_30 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 307 N_GB1_30 N_GB1_37 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 244 313 - N_GB1_30 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 316 + N_GB1_30 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 316 N_GB1_30 N_GB1_38 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 244 322 - N_GB1_30 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 324 + N_GB1_30 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 324 N_GB1_30 N_GB1_39 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 244 327 - N_GB1_30 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 330 - N_GB1_30 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 331 - N_GB1_30 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 332 + N_GB1_30 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 330 + N_GB1_30 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 331 + N_GB1_30 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 332 N_GB1_30 N_GB1_40 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 244 335 - N_GB1_30 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 338 + N_GB1_30 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 338 N_GB1_30 N_GB1_41 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 8.026227e-05 0.004395 0.001132 True md_ensemble 7 244 344 - N_GB1_30 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 346 + N_GB1_30 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 346 N_GB1_30 N_GB1_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 244 349 - N_GB1_30 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 352 - N_GB1_30 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 353 + N_GB1_30 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 352 + N_GB1_30 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 353 N_GB1_30 N_GB1_43 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 244 359 - N_GB1_30 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 362 + N_GB1_30 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 362 N_GB1_30 N_GB1_44 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 244 374 - N_GB1_30 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 377 - N_GB1_30 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 379 + N_GB1_30 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 377 + N_GB1_30 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 379 N_GB1_30 N_GB1_45 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 244 382 - N_GB1_30 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 385 + N_GB1_30 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 385 N_GB1_30 N_GB1_46 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 244 395 - N_GB1_30 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 398 + N_GB1_30 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 398 N_GB1_30 N_GB1_47 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 244 404 - N_GB1_30 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 407 + N_GB1_30 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 407 N_GB1_30 N_GB1_48 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 244 413 - N_GB1_30 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 416 + N_GB1_30 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 416 N_GB1_30 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 244 419 - N_GB1_30 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 422 - N_GB1_30 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 424 + N_GB1_30 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 422 + N_GB1_30 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 424 N_GB1_30 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 244 427 - N_GB1_30 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 430 - N_GB1_30 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 431 - N_GB1_30 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 432 - N_GB1_30 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 433 + N_GB1_30 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 430 + N_GB1_30 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 431 + N_GB1_30 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 432 + N_GB1_30 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 433 N_GB1_30 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 7.050803e-06 0.004395 0.001132 True md_ensemble 7 244 434 N_GB1_30 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 244 437 - N_GB1_30 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 440 - N_GB1_30 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 442 + N_GB1_30 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 440 + N_GB1_30 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 442 N_GB1_30 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 244 445 - N_GB1_30 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 448 + N_GB1_30 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 448 N_GB1_30 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 244 457 - N_GB1_30 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 460 - N_GB1_30 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 462 + N_GB1_30 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 460 + N_GB1_30 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 462 N_GB1_30 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 244 465 - N_GB1_30 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 468 - N_GB1_30 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 469 - N_GB1_30 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 470 + N_GB1_30 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 468 + N_GB1_30 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 469 + N_GB1_30 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 470 N_GB1_30 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 244 473 - N_GB1_30 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 476 - N_GB1_30 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 478 + N_GB1_30 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 476 + N_GB1_30 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 478 N_GB1_30 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 244 481 - N_GB1_30 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 484 - N_GB1_30 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 485 + N_GB1_30 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 484 + N_GB1_30 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 244 485 H_GB1_30 H_GB1_30 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 245 245 H_GB1_30 O_GB1_30 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 245 255 H_GB1_30 H_GB1_31 1 0.000000e+00 4.851893e-09 ; 1.807123e-01 -4.851893e-09 9.754145e-01 3.797389e-01 0.004395 0.001132 True md_ensemble 5 245 257 @@ -33871,18 +33871,18 @@ CG2_GB1_29 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- H_GB1_30 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 245 488 H_GB1_30 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 245 490 H_GB1_30 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 245 491 - CA_GB1_30 CE1_GB1_30 1 0.000000e+00 1.305176e-05 ; 3.489802e-01 -1.305176e-05 1.000000e+00 9.999920e-01 0.004395 0.001132 True md_ensemble 4 246 251 - CA_GB1_30 CE2_GB1_30 1 0.000000e+00 1.305176e-05 ; 3.489802e-01 -1.305176e-05 1.000000e+00 9.999920e-01 0.004395 0.001132 True md_ensemble 4 246 252 - CA_GB1_30 CZ_GB1_30 1 0.000000e+00 1.304463e-05 ; 3.489643e-01 -1.304463e-05 9.999938e-01 9.994392e-01 0.004395 0.001132 True md_ensemble 5 246 253 - CA_GB1_30 CB_GB1_31 1 0.000000e+00 3.181365e-05 ; 3.758773e-01 -3.181365e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 246 259 - CA_GB1_30 CG_GB1_31 1 0.000000e+00 4.158437e-05 ; 3.843609e-01 -4.158437e-05 5.595414e-01 8.666648e-01 0.004395 0.001132 True md_ensemble 5 246 260 - CA_GB1_30 CD_GB1_31 1 0.000000e+00 4.077212e-05 ; 3.837296e-01 -4.077212e-05 1.551815e-02 2.971101e-01 0.004395 0.001132 True md_ensemble 6 246 261 - CA_GB1_30 C_GB1_31 1 0.000000e+00 1.305185e-05 ; 3.489804e-01 -1.305185e-05 1.000000e+00 9.999992e-01 0.004395 0.001132 True md_ensemble 4 246 264 - CA_GB1_30 O_GB1_31 1 0.000000e+00 5.043204e-06 ; 3.223942e-01 -5.043204e-06 6.007102e-02 2.742785e-01 0.004395 0.001132 True md_ensemble 5 246 265 - CA_GB1_30 N_GB1_32 1 0.000000e+00 5.959117e-06 ; 3.269090e-01 -5.959117e-06 9.999988e-01 7.866815e-01 0.004395 0.001132 True md_ensemble 5 246 266 - CA_GB1_30 CA_GB1_32 1 0.000000e+00 5.055301e-05 ; 3.906675e-01 -5.055301e-05 9.999951e-01 7.711405e-01 0.004395 0.001132 True md_ensemble 6 246 268 + CA_GB1_30 CE1_GB1_30 1 0.000000e+00 1.305169e-05 ; 3.489800e-01 -1.305169e-05 1.000000e+00 9.999920e-01 0.004395 0.001132 True md_ensemble 4 246 251 + CA_GB1_30 CE2_GB1_30 1 0.000000e+00 1.305169e-05 ; 3.489800e-01 -1.305169e-05 1.000000e+00 9.999920e-01 0.004395 0.001132 True md_ensemble 4 246 252 + CA_GB1_30 CZ_GB1_30 1 0.000000e+00 1.304456e-05 ; 3.489641e-01 -1.304456e-05 9.999938e-01 9.994392e-01 0.004395 0.001132 True md_ensemble 5 246 253 + CA_GB1_30 CB_GB1_31 1 0.000000e+00 3.181352e-05 ; 3.758772e-01 -3.181352e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 246 259 + CA_GB1_30 CG_GB1_31 1 0.000000e+00 4.158419e-05 ; 3.843607e-01 -4.158419e-05 5.595414e-01 8.666648e-01 0.004395 0.001132 True md_ensemble 5 246 260 + CA_GB1_30 CD_GB1_31 1 0.000000e+00 4.077195e-05 ; 3.837294e-01 -4.077195e-05 1.551815e-02 2.971101e-01 0.004395 0.001132 True md_ensemble 6 246 261 + CA_GB1_30 C_GB1_31 1 0.000000e+00 1.305179e-05 ; 3.489802e-01 -1.305179e-05 1.000000e+00 9.999992e-01 0.004395 0.001132 True md_ensemble 4 246 264 + CA_GB1_30 O_GB1_31 1 0.000000e+00 5.043244e-06 ; 3.223944e-01 -5.043244e-06 6.007102e-02 2.742785e-01 0.004395 0.001132 True md_ensemble 5 246 265 + CA_GB1_30 N_GB1_32 1 0.000000e+00 5.959108e-06 ; 3.269089e-01 -5.959108e-06 9.999988e-01 7.866815e-01 0.004395 0.001132 True md_ensemble 5 246 266 + CA_GB1_30 CA_GB1_32 1 0.000000e+00 5.055338e-05 ; 3.906677e-01 -5.055338e-05 9.999951e-01 7.711405e-01 0.004395 0.001132 True md_ensemble 6 246 268 CA_GB1_30 CB_GB1_32 1 1.007653e-02 1.715217e-04 ; 5.071869e-01 1.479937e-01 9.107145e-01 3.251883e-01 0.004395 0.007117 True md_ensemble 7 246 269 - CA_GB1_30 CG_GB1_32 1 0.000000e+00 3.599996e-05 ; 3.797696e-01 -3.599996e-05 9.528948e-02 2.268780e-01 0.004395 0.007117 True md_ensemble 7 246 270 + CA_GB1_30 CG_GB1_32 1 0.000000e+00 3.599981e-05 ; 3.797694e-01 -3.599981e-05 9.528948e-02 2.268780e-01 0.004395 0.007117 True md_ensemble 7 246 270 CA_GB1_30 C_GB1_32 1 9.412972e-03 1.096399e-04 ; 4.761096e-01 2.020342e-01 9.148610e-01 1.365990e-01 0.004395 0.008482 True md_ensemble 7 246 274 CA_GB1_30 N_GB1_33 1 2.453062e-03 8.527849e-06 ; 3.892141e-01 1.764076e-01 9.997354e-01 2.453042e-01 0.004395 0.008482 True md_ensemble 7 246 276 CA_GB1_30 CA_GB1_33 1 4.202446e-03 2.996566e-05 ; 4.387195e-01 1.473399e-01 9.999414e-01 3.290659e-01 0.004395 0.006476 True md_ensemble 7 246 278 @@ -33890,9 +33890,9 @@ CG2_GB1_29 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- CA_GB1_30 CG_GB1_33 1 7.556282e-03 6.662452e-05 ; 4.545214e-01 2.142507e-01 7.985784e-01 1.193520e-01 0.004395 0.010759 True md_ensemble 7 246 280 CA_GB1_30 CD1_GB1_33 1 2.985019e-03 1.418258e-05 ; 4.100165e-01 1.570648e-01 2.623266e-01 1.187802e-01 0.004395 0.010759 True md_ensemble 7 246 281 CA_GB1_30 CD2_GB1_33 1 2.985019e-03 1.418258e-05 ; 4.100165e-01 1.570648e-01 2.623266e-01 1.187802e-01 0.004395 0.010759 True md_ensemble 7 246 282 - CA_GB1_30 CE1_GB1_33 1 0.000000e+00 1.377765e-05 ; 3.505578e-01 -1.377765e-05 3.318522e-02 8.879278e-02 0.004395 0.010759 True md_ensemble 7 246 283 - CA_GB1_30 CE2_GB1_33 1 0.000000e+00 1.377765e-05 ; 3.505578e-01 -1.377765e-05 3.318522e-02 8.879278e-02 0.004395 0.010759 True md_ensemble 7 246 284 - CA_GB1_30 CZ_GB1_33 1 0.000000e+00 1.372274e-05 ; 3.504411e-01 -1.372274e-05 1.238080e-02 6.378136e-02 0.004395 0.010759 True md_ensemble 7 246 285 + CA_GB1_30 CE1_GB1_33 1 0.000000e+00 1.377758e-05 ; 3.505576e-01 -1.377758e-05 3.318522e-02 8.879278e-02 0.004395 0.010759 True md_ensemble 7 246 283 + CA_GB1_30 CE2_GB1_33 1 0.000000e+00 1.377758e-05 ; 3.505576e-01 -1.377758e-05 3.318522e-02 8.879278e-02 0.004395 0.010759 True md_ensemble 7 246 284 + CA_GB1_30 CZ_GB1_33 1 0.000000e+00 1.372267e-05 ; 3.504410e-01 -1.372267e-05 1.238080e-02 6.378136e-02 0.004395 0.010759 True md_ensemble 7 246 285 CA_GB1_30 C_GB1_33 1 1.166042e-02 1.524713e-04 ; 4.853768e-01 2.229361e-01 6.816172e-01 6.787057e-02 0.004395 0.008482 True md_ensemble 7 246 287 CA_GB1_30 N_GB1_34 1 8.575852e-03 6.913885e-05 ; 4.477898e-01 2.659331e-01 9.221989e-01 3.990446e-02 0.004395 0.008482 True md_ensemble 7 246 289 CA_GB1_30 CA_GB1_34 1 2.114645e-02 5.229891e-04 ; 5.397706e-01 2.137579e-01 9.463349e-01 8.595058e-02 0.004395 0.006476 True md_ensemble 7 246 291 @@ -33900,151 +33900,151 @@ CG2_GB1_29 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- CA_GB1_30 CZ2_GB1_43 1 1.437353e-02 1.584282e-04 ; 4.717496e-01 3.260125e-01 6.281657e-01 4.218339e-03 0.004395 0.010759 True md_ensemble 7 246 369 CA_GB1_30 CZ3_GB1_43 1 1.328786e-02 1.290526e-04 ; 4.619043e-01 3.420449e-01 8.571058e-01 3.769165e-03 0.004395 0.010759 True md_ensemble 7 246 370 CA_GB1_30 CH2_GB1_43 1 6.342579e-03 2.874408e-05 ; 4.067995e-01 3.498835e-01 9.977444e-01 4.455427e-03 0.004395 0.010759 True md_ensemble 7 246 371 - CB_GB1_30 CZ_GB1_30 1 0.000000e+00 6.333961e-06 ; 3.285751e-01 -6.333961e-06 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 247 253 - CB_GB1_30 C_GB1_30 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 254 + CB_GB1_30 CZ_GB1_30 1 0.000000e+00 6.333855e-06 ; 3.285746e-01 -6.333855e-06 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 247 253 + CB_GB1_30 C_GB1_30 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 254 CB_GB1_30 O_GB1_30 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 255 - CB_GB1_30 N_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 256 - CB_GB1_30 CA_GB1_31 1 0.000000e+00 3.181367e-05 ; 3.758773e-01 -3.181367e-05 9.999966e-01 9.999971e-01 0.004395 0.001132 True md_ensemble 4 247 258 - CB_GB1_30 CB_GB1_31 1 0.000000e+00 1.019607e-05 ; 3.418727e-01 -1.019607e-05 8.972893e-01 5.577035e-01 0.004395 0.001132 True md_ensemble 5 247 259 - CB_GB1_30 CG_GB1_31 1 0.000000e+00 1.385415e-05 ; 3.507196e-01 -1.385415e-05 3.675294e-01 2.648826e-01 0.004395 0.001132 True md_ensemble 6 247 260 - CB_GB1_30 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 263 - CB_GB1_30 C_GB1_31 1 0.000000e+00 9.152590e-06 ; 3.388106e-01 -9.152590e-06 3.553862e-02 4.805412e-01 0.004395 0.001132 True md_ensemble 5 247 264 + CB_GB1_30 N_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 256 + CB_GB1_30 CA_GB1_31 1 0.000000e+00 3.181353e-05 ; 3.758772e-01 -3.181353e-05 9.999966e-01 9.999971e-01 0.004395 0.001132 True md_ensemble 4 247 258 + CB_GB1_30 CB_GB1_31 1 0.000000e+00 1.019591e-05 ; 3.418722e-01 -1.019591e-05 8.972893e-01 5.577035e-01 0.004395 0.001132 True md_ensemble 5 247 259 + CB_GB1_30 CG_GB1_31 1 0.000000e+00 1.385393e-05 ; 3.507191e-01 -1.385393e-05 3.675294e-01 2.648826e-01 0.004395 0.001132 True md_ensemble 6 247 260 + CB_GB1_30 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 263 + CB_GB1_30 C_GB1_31 1 0.000000e+00 9.152436e-06 ; 3.388101e-01 -9.152436e-06 3.553862e-02 4.805412e-01 0.004395 0.001132 True md_ensemble 5 247 264 CB_GB1_30 O_GB1_31 1 0.000000e+00 2.015656e-06 ; 2.986733e-01 -2.015656e-06 0.000000e+00 8.300615e-02 0.004395 0.001132 True md_ensemble 6 247 265 - CB_GB1_30 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 266 - CB_GB1_30 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 271 + CB_GB1_30 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 266 + CB_GB1_30 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 271 CB_GB1_30 OE1_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.903184e-02 0.004395 0.007862 True md_ensemble 7 247 272 - CB_GB1_30 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 273 - CB_GB1_30 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 274 + CB_GB1_30 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 273 + CB_GB1_30 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 274 CB_GB1_30 O_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.719412e-02 0.004395 0.007862 True md_ensemble 7 247 275 - CB_GB1_30 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 276 + CB_GB1_30 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 276 CB_GB1_30 CA_GB1_33 1 1.007504e-02 2.256687e-04 ; 5.309302e-01 1.124507e-01 3.164059e-01 2.250076e-01 0.004395 0.007117 True md_ensemble 7 247 278 CB_GB1_30 CB_GB1_33 1 7.301087e-03 7.614304e-05 ; 4.674198e-01 1.750188e-01 8.648605e-01 2.020050e-01 0.004395 0.007860 True md_ensemble 7 247 279 - CB_GB1_30 CD1_GB1_33 1 0.000000e+00 6.911162e-06 ; 3.309717e-01 -6.911162e-06 2.371113e-02 1.148391e-01 0.004395 0.012152 True md_ensemble 7 247 281 - CB_GB1_30 CD2_GB1_33 1 0.000000e+00 6.911162e-06 ; 3.309717e-01 -6.911162e-06 2.371113e-02 1.148391e-01 0.004395 0.012152 True md_ensemble 7 247 282 - CB_GB1_30 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 286 - CB_GB1_30 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 287 + CB_GB1_30 CD1_GB1_33 1 0.000000e+00 6.911046e-06 ; 3.309713e-01 -6.911046e-06 2.371113e-02 1.148391e-01 0.004395 0.012152 True md_ensemble 7 247 281 + CB_GB1_30 CD2_GB1_33 1 0.000000e+00 6.911046e-06 ; 3.309713e-01 -6.911046e-06 2.371113e-02 1.148391e-01 0.004395 0.012152 True md_ensemble 7 247 282 + CB_GB1_30 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 286 + CB_GB1_30 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 287 CB_GB1_30 O_GB1_33 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.919691e-02 0.004395 0.007862 True md_ensemble 7 247 288 - CB_GB1_30 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 289 + CB_GB1_30 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 289 CB_GB1_30 CB_GB1_34 1 4.457502e-03 6.167508e-05 ; 4.899702e-01 8.054031e-02 2.020496e-02 4.553886e-02 0.004395 0.012151 True md_ensemble 7 247 292 - CB_GB1_30 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 293 + CB_GB1_30 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 293 CB_GB1_30 O_GB1_34 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.079101e-03 0.004395 0.007862 True md_ensemble 7 247 294 - CB_GB1_30 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 295 - CB_GB1_30 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 299 + CB_GB1_30 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 295 + CB_GB1_30 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 299 CB_GB1_30 OD1_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.097332e-02 0.004395 0.007862 True md_ensemble 7 247 300 - CB_GB1_30 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 301 - CB_GB1_30 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 302 + CB_GB1_30 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 301 + CB_GB1_30 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 302 CB_GB1_30 O_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.754831e-03 0.004395 0.007862 True md_ensemble 7 247 303 - CB_GB1_30 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 304 - CB_GB1_30 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 308 - CB_GB1_30 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 309 - CB_GB1_30 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 310 - CB_GB1_30 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 311 + CB_GB1_30 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 304 + CB_GB1_30 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 308 + CB_GB1_30 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 309 + CB_GB1_30 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 310 + CB_GB1_30 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 311 CB_GB1_30 O_GB1_36 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.843051e-03 0.004395 0.007862 True md_ensemble 7 247 312 - CB_GB1_30 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 313 - CB_GB1_30 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 317 + CB_GB1_30 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 313 + CB_GB1_30 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 317 CB_GB1_30 OD1_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.658074e-03 0.004395 0.007862 True md_ensemble 7 247 318 - CB_GB1_30 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 319 - CB_GB1_30 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 320 + CB_GB1_30 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 319 + CB_GB1_30 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 320 CB_GB1_30 O_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.574626e-03 0.004395 0.007862 True md_ensemble 7 247 321 - CB_GB1_30 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 322 - CB_GB1_30 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 325 + CB_GB1_30 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 322 + CB_GB1_30 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 325 CB_GB1_30 O_GB1_38 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.426422e-03 0.004395 0.007862 True md_ensemble 7 247 326 - CB_GB1_30 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 327 - CB_GB1_30 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 333 + CB_GB1_30 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 327 + CB_GB1_30 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 333 CB_GB1_30 O_GB1_39 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.524899e-04 0.004395 0.007862 True md_ensemble 7 247 334 - CB_GB1_30 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 335 - CB_GB1_30 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 339 - CB_GB1_30 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 340 - CB_GB1_30 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 341 - CB_GB1_30 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 342 + CB_GB1_30 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 335 + CB_GB1_30 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 339 + CB_GB1_30 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 340 + CB_GB1_30 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 341 + CB_GB1_30 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 342 CB_GB1_30 O_GB1_40 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.651540e-04 0.004395 0.007862 True md_ensemble 7 247 343 - CB_GB1_30 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 344 - CB_GB1_30 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 347 + CB_GB1_30 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 344 + CB_GB1_30 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 347 CB_GB1_30 O_GB1_41 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.352311e-03 0.004395 0.007862 True md_ensemble 7 247 348 - CB_GB1_30 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 349 - CB_GB1_30 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 354 - CB_GB1_30 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 355 - CB_GB1_30 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 356 - CB_GB1_30 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 357 + CB_GB1_30 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 349 + CB_GB1_30 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 354 + CB_GB1_30 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 355 + CB_GB1_30 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 356 + CB_GB1_30 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 357 CB_GB1_30 O_GB1_42 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.492271e-04 0.004395 0.007862 True md_ensemble 7 247 358 - CB_GB1_30 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 359 - CB_GB1_30 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 366 + CB_GB1_30 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 359 + CB_GB1_30 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 366 CB_GB1_30 CE3_GB1_43 1 8.834192e-03 8.470991e-05 ; 4.609225e-01 2.303241e-01 9.830410e-02 2.216860e-03 0.004395 0.012152 True md_ensemble 7 247 368 CB_GB1_30 CZ2_GB1_43 1 8.370754e-03 5.305373e-05 ; 4.301883e-01 3.301819e-01 6.810385e-01 4.347224e-03 0.004395 0.012152 True md_ensemble 7 247 369 CB_GB1_30 CZ3_GB1_43 1 3.755202e-03 1.007808e-05 ; 3.727841e-01 3.498075e-01 9.962754e-01 3.925138e-03 0.004395 0.012152 True md_ensemble 7 247 370 CB_GB1_30 CH2_GB1_43 1 2.324664e-03 3.860489e-06 ; 3.441230e-01 3.499597e-01 9.992183e-01 4.861694e-03 0.004395 0.012152 True md_ensemble 7 247 371 - CB_GB1_30 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 372 + CB_GB1_30 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 372 CB_GB1_30 O_GB1_43 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.326128e-04 0.004395 0.007862 True md_ensemble 7 247 373 - CB_GB1_30 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 374 - CB_GB1_30 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 378 - CB_GB1_30 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 380 + CB_GB1_30 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 374 + CB_GB1_30 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 378 + CB_GB1_30 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 380 CB_GB1_30 O_GB1_44 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.647060e-04 0.004395 0.007862 True md_ensemble 7 247 381 - CB_GB1_30 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 382 - CB_GB1_30 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 392 - CB_GB1_30 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 393 + CB_GB1_30 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 382 + CB_GB1_30 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 392 + CB_GB1_30 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 393 CB_GB1_30 O_GB1_45 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.999563e-04 0.004395 0.007862 True md_ensemble 7 247 394 - CB_GB1_30 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 395 - CB_GB1_30 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 399 - CB_GB1_30 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 400 - CB_GB1_30 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 401 - CB_GB1_30 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 402 + CB_GB1_30 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 395 + CB_GB1_30 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 399 + CB_GB1_30 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 400 + CB_GB1_30 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 401 + CB_GB1_30 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 402 CB_GB1_30 O_GB1_46 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.999219e-04 0.004395 0.007862 True md_ensemble 7 247 403 - CB_GB1_30 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 404 - CB_GB1_30 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 408 - CB_GB1_30 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 409 - CB_GB1_30 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 410 - CB_GB1_30 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 411 + CB_GB1_30 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 404 + CB_GB1_30 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 408 + CB_GB1_30 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 409 + CB_GB1_30 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 410 + CB_GB1_30 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 411 CB_GB1_30 O_GB1_47 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.999952e-04 0.004395 0.007862 True md_ensemble 7 247 412 - CB_GB1_30 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 413 - CB_GB1_30 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 417 + CB_GB1_30 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 413 + CB_GB1_30 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 417 CB_GB1_30 O_GB1_48 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.628253e-04 0.004395 0.007862 True md_ensemble 7 247 418 - CB_GB1_30 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 419 - CB_GB1_30 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 423 - CB_GB1_30 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 425 + CB_GB1_30 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 419 + CB_GB1_30 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 423 + CB_GB1_30 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 425 CB_GB1_30 O_GB1_49 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000545e-04 0.004395 0.007862 True md_ensemble 7 247 426 - CB_GB1_30 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 427 - CB_GB1_30 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 434 - CB_GB1_30 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 435 + CB_GB1_30 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 427 + CB_GB1_30 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 434 + CB_GB1_30 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 435 CB_GB1_30 O_GB1_50 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.732827e-04 0.004395 0.007862 True md_ensemble 7 247 436 - CB_GB1_30 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 437 - CB_GB1_30 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 441 - CB_GB1_30 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 443 + CB_GB1_30 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 437 + CB_GB1_30 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 441 + CB_GB1_30 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 443 CB_GB1_30 O_GB1_51 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.832268e-04 0.004395 0.007862 True md_ensemble 7 247 444 - CB_GB1_30 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 445 + CB_GB1_30 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 445 CB_GB1_30 CB_GB1_52 1 1.673279e-02 2.192629e-04 ; 4.855487e-01 3.192357e-01 5.508415e-01 5.008380e-04 0.004395 0.007860 True md_ensemble 7 247 448 CB_GB1_30 CG_GB1_52 1 9.932105e-03 9.629063e-05 ; 4.617680e-01 2.561171e-01 1.620676e-01 3.893755e-04 0.004395 0.012152 True md_ensemble 7 247 449 CB_GB1_30 CD1_GB1_52 1 1.053063e-02 9.623590e-05 ; 4.572431e-01 2.880789e-01 3.011271e-01 2.015417e-04 0.004395 0.012152 True md_ensemble 7 247 450 CB_GB1_30 CD2_GB1_52 1 1.053063e-02 9.623590e-05 ; 4.572431e-01 2.880789e-01 3.011271e-01 2.015417e-04 0.004395 0.012152 True md_ensemble 7 247 451 CB_GB1_30 CE1_GB1_52 1 3.017961e-03 2.899056e-05 ; 4.610597e-01 7.854359e-02 5.186647e-03 8.021593e-04 0.004395 0.012152 True md_ensemble 7 247 452 CB_GB1_30 CE2_GB1_52 1 3.017961e-03 2.899056e-05 ; 4.610597e-01 7.854359e-02 5.186647e-03 8.021593e-04 0.004395 0.012152 True md_ensemble 7 247 453 - CB_GB1_30 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 455 + CB_GB1_30 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 455 CB_GB1_30 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.999731e-04 0.004395 0.007862 True md_ensemble 7 247 456 - CB_GB1_30 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 457 - CB_GB1_30 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 461 - CB_GB1_30 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 463 + CB_GB1_30 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 457 + CB_GB1_30 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 461 + CB_GB1_30 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 463 CB_GB1_30 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.942525e-04 0.004395 0.007862 True md_ensemble 7 247 464 - CB_GB1_30 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 465 - CB_GB1_30 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 471 + CB_GB1_30 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 465 + CB_GB1_30 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 471 CB_GB1_30 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.000504e-04 0.004395 0.007862 True md_ensemble 7 247 472 - CB_GB1_30 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 473 - CB_GB1_30 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 477 - CB_GB1_30 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 479 + CB_GB1_30 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 473 + CB_GB1_30 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 477 + CB_GB1_30 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 479 CB_GB1_30 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000205e-04 0.004395 0.007862 True md_ensemble 7 247 480 - CB_GB1_30 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 481 - CB_GB1_30 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 486 - CB_GB1_30 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 487 - CB_GB1_30 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 488 - CB_GB1_30 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 489 - CB_GB1_30 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 490 - CB_GB1_30 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 491 - CG_GB1_30 O_GB1_30 1 0.000000e+00 7.446505e-07 ; 2.748892e-01 -7.446505e-07 6.895670e-01 5.900531e-01 0.004395 0.001132 True md_ensemble 4 248 255 - CG_GB1_30 N_GB1_31 1 0.000000e+00 1.734740e-06 ; 2.949610e-01 -1.734740e-06 5.635238e-01 7.137687e-01 0.004395 0.001132 True md_ensemble 4 248 256 + CB_GB1_30 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 481 + CB_GB1_30 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 486 + CB_GB1_30 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 487 + CB_GB1_30 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 488 + CB_GB1_30 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 489 + CB_GB1_30 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 490 + CB_GB1_30 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 247 491 + CG_GB1_30 O_GB1_30 1 0.000000e+00 7.446471e-07 ; 2.748891e-01 -7.446471e-07 6.895670e-01 5.900531e-01 0.004395 0.001132 True md_ensemble 4 248 255 + CG_GB1_30 N_GB1_31 1 0.000000e+00 1.734716e-06 ; 2.949606e-01 -1.734716e-06 5.635238e-01 7.137687e-01 0.004395 0.001132 True md_ensemble 4 248 256 CG_GB1_30 CA_GB1_31 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 6.545950e-04 3.236377e-01 0.004395 0.001132 True md_ensemble 5 248 258 CG_GB1_30 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 3.285751e-01 -6.333961e-06 0.000000e+00 4.772329e-02 0.004395 0.001132 True md_ensemble 6 248 259 CG_GB1_30 C_GB1_31 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 0.000000e+00 6.049959e-02 0.004395 0.001132 True md_ensemble 6 248 264 CG_GB1_30 CB_GB1_33 1 3.648472e-03 3.603257e-05 ; 4.631952e-01 9.235639e-02 5.013373e-02 8.986866e-02 0.004395 0.012152 True md_ensemble 7 248 279 - CG_GB1_30 CD1_GB1_33 1 0.000000e+00 2.725621e-06 ; 3.062789e-01 -2.725621e-06 1.022936e-02 5.912200e-02 0.004395 0.020720 True md_ensemble 7 248 281 - CG_GB1_30 CD2_GB1_33 1 0.000000e+00 2.725621e-06 ; 3.062789e-01 -2.725621e-06 1.022936e-02 5.912200e-02 0.004395 0.020720 True md_ensemble 7 248 282 + CG_GB1_30 CD1_GB1_33 1 0.000000e+00 2.725573e-06 ; 3.062785e-01 -2.725573e-06 1.022936e-02 5.912200e-02 0.004395 0.020720 True md_ensemble 7 248 281 + CG_GB1_30 CD2_GB1_33 1 0.000000e+00 2.725573e-06 ; 3.062785e-01 -2.725573e-06 1.022936e-02 5.912200e-02 0.004395 0.020720 True md_ensemble 7 248 282 CG_GB1_30 CZ3_GB1_43 1 5.599889e-03 3.461779e-05 ; 4.284038e-01 2.264642e-01 9.121767e-02 2.733459e-03 0.004395 0.020720 True md_ensemble 7 248 370 CG_GB1_30 CH2_GB1_43 1 6.448163e-03 4.093647e-05 ; 4.303076e-01 2.539228e-01 1.553189e-01 2.547104e-03 0.004395 0.020720 True md_ensemble 7 248 371 CG_GB1_30 CB_GB1_52 1 1.019128e-02 9.331779e-05 ; 4.573927e-01 2.782487e-01 2.488854e-01 4.462706e-04 0.004395 0.012152 True md_ensemble 7 248 448 @@ -34053,8 +34053,8 @@ CG2_GB1_29 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- CG_GB1_30 CD2_GB1_52 1 7.149048e-03 4.180983e-05 ; 4.244616e-01 3.056033e-01 4.229308e-01 2.444484e-04 0.004395 0.020720 True md_ensemble 7 248 451 CG_GB1_30 CE1_GB1_52 1 5.293819e-03 3.431599e-05 ; 4.318052e-01 2.041651e-01 5.920601e-02 3.796598e-04 0.004395 0.020720 True md_ensemble 7 248 452 CG_GB1_30 CE2_GB1_52 1 5.293819e-03 3.431599e-05 ; 4.318052e-01 2.041651e-01 5.920601e-02 3.796598e-04 0.004395 0.020720 True md_ensemble 7 248 453 -CD1_GB1_30 C_GB1_30 1 0.000000e+00 2.234565e-06 ; 3.012505e-01 -2.234565e-06 9.999920e-01 8.599130e-01 0.004395 0.001132 True md_ensemble 4 249 254 -CD1_GB1_30 O_GB1_30 1 0.000000e+00 9.607625e-07 ; 2.807887e-01 -9.607625e-07 4.168880e-02 2.035133e-01 0.004395 0.001132 True md_ensemble 5 249 255 +CD1_GB1_30 C_GB1_30 1 0.000000e+00 2.234525e-06 ; 3.012500e-01 -2.234525e-06 9.999920e-01 8.599130e-01 0.004395 0.001132 True md_ensemble 4 249 254 +CD1_GB1_30 O_GB1_30 1 0.000000e+00 9.607580e-07 ; 2.807886e-01 -9.607580e-07 4.168880e-02 2.035133e-01 0.004395 0.001132 True md_ensemble 5 249 255 CD1_GB1_30 N_GB1_31 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 0.000000e+00 2.453054e-01 0.004395 0.001132 True md_ensemble 5 249 256 CD1_GB1_30 CA_GB1_31 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 0.000000e+00 1.880642e-01 0.004395 0.001132 True md_ensemble 6 249 258 CD1_GB1_30 CB_GB1_33 1 6.296638e-03 4.373765e-05 ; 4.368085e-01 2.266220e-01 5.648530e-01 7.501863e-02 0.004395 0.012152 True md_ensemble 7 249 279 @@ -34073,8 +34073,8 @@ CD1_GB1_30 CD2_GB1_52 1 1.534076e-03 1.681061e-06 ; 3.210870e-01 3.499858e- CD1_GB1_30 CE1_GB1_52 1 2.412951e-03 4.166475e-06 ; 3.463672e-01 3.493560e-01 9.875947e-01 6.684747e-04 0.004395 0.020720 True md_ensemble 7 249 452 CD1_GB1_30 CE2_GB1_52 1 2.412951e-03 4.166475e-06 ; 3.463672e-01 3.493560e-01 9.875947e-01 6.684747e-04 0.004395 0.020720 True md_ensemble 7 249 453 CD1_GB1_30 CZ_GB1_52 1 5.690125e-03 2.639211e-05 ; 4.083746e-01 3.066969e-01 4.319919e-01 8.630706e-04 0.004395 0.020720 True md_ensemble 7 249 454 -CD2_GB1_30 C_GB1_30 1 0.000000e+00 2.234565e-06 ; 3.012505e-01 -2.234565e-06 9.999920e-01 8.599130e-01 0.004395 0.001132 True md_ensemble 4 250 254 -CD2_GB1_30 O_GB1_30 1 0.000000e+00 9.607625e-07 ; 2.807887e-01 -9.607625e-07 4.168880e-02 2.035133e-01 0.004395 0.001132 True md_ensemble 5 250 255 +CD2_GB1_30 C_GB1_30 1 0.000000e+00 2.234525e-06 ; 3.012500e-01 -2.234525e-06 9.999920e-01 8.599130e-01 0.004395 0.001132 True md_ensemble 4 250 254 +CD2_GB1_30 O_GB1_30 1 0.000000e+00 9.607580e-07 ; 2.807886e-01 -9.607580e-07 4.168880e-02 2.035133e-01 0.004395 0.001132 True md_ensemble 5 250 255 CD2_GB1_30 N_GB1_31 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 0.000000e+00 2.519453e-01 0.004395 0.001132 True md_ensemble 5 250 256 CD2_GB1_30 CA_GB1_31 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 0.000000e+00 1.896195e-01 0.004395 0.001132 True md_ensemble 6 250 258 CD2_GB1_30 CB_GB1_33 1 6.296638e-03 4.373765e-05 ; 4.368085e-01 2.266220e-01 5.648530e-01 7.501863e-02 0.004395 0.012152 True md_ensemble 7 250 279 @@ -34096,7 +34096,7 @@ CD2_GB1_30 CZ_GB1_52 1 5.690125e-03 2.639211e-05 ; 4.083746e-01 3.066969e- CE1_GB1_30 C_GB1_30 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 0.000000e+00 1.480937e-01 0.004395 0.001132 True md_ensemble 5 251 254 CE1_GB1_30 O_GB1_30 1 0.000000e+00 8.269429e-07 ; 2.773009e-01 -8.269429e-07 0.000000e+00 5.802654e-02 0.004395 0.001132 True md_ensemble 6 251 255 CE1_GB1_30 N_GB1_31 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 0.000000e+00 6.304577e-02 0.004395 0.001132 True md_ensemble 6 251 256 -CE1_GB1_30 CB_GB1_33 1 0.000000e+00 6.541969e-06 ; 3.294610e-01 -6.541969e-06 8.505532e-03 4.134570e-02 0.004395 0.012152 True md_ensemble 7 251 279 +CE1_GB1_30 CB_GB1_33 1 0.000000e+00 6.541860e-06 ; 3.294606e-01 -6.541860e-06 8.505532e-03 4.134570e-02 0.004395 0.012152 True md_ensemble 7 251 279 CE1_GB1_30 CD1_GB1_33 1 1.312620e-03 4.099467e-06 ; 3.823238e-01 1.050729e-01 1.486049e-02 3.549839e-02 0.004395 0.020720 True md_ensemble 7 251 281 CE1_GB1_30 CD2_GB1_33 1 1.312620e-03 4.099467e-06 ; 3.823238e-01 1.050729e-01 1.486049e-02 3.549839e-02 0.004395 0.020720 True md_ensemble 7 251 282 CE1_GB1_30 CE1_GB1_33 1 1.032269e-03 2.828832e-06 ; 3.740839e-01 9.417133e-02 1.303386e-02 3.846078e-02 0.004395 0.020720 True md_ensemble 7 251 283 @@ -34112,7 +34112,7 @@ CE1_GB1_30 CZ_GB1_52 1 5.395557e-03 2.818291e-05 ; 4.165415e-01 2.582420e- CE2_GB1_30 C_GB1_30 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 0.000000e+00 1.510789e-01 0.004395 0.001132 True md_ensemble 5 252 254 CE2_GB1_30 O_GB1_30 1 0.000000e+00 8.269429e-07 ; 2.773009e-01 -8.269429e-07 0.000000e+00 6.336803e-02 0.004395 0.001132 True md_ensemble 6 252 255 CE2_GB1_30 N_GB1_31 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 0.000000e+00 5.871695e-02 0.004395 0.001132 True md_ensemble 6 252 256 -CE2_GB1_30 CB_GB1_33 1 0.000000e+00 6.541969e-06 ; 3.294610e-01 -6.541969e-06 8.505532e-03 4.134570e-02 0.004395 0.012152 True md_ensemble 7 252 279 +CE2_GB1_30 CB_GB1_33 1 0.000000e+00 6.541860e-06 ; 3.294606e-01 -6.541860e-06 8.505532e-03 4.134570e-02 0.004395 0.012152 True md_ensemble 7 252 279 CE2_GB1_30 CD1_GB1_33 1 1.312620e-03 4.099467e-06 ; 3.823238e-01 1.050729e-01 1.486049e-02 3.549839e-02 0.004395 0.020720 True md_ensemble 7 252 281 CE2_GB1_30 CD2_GB1_33 1 1.312620e-03 4.099467e-06 ; 3.823238e-01 1.050729e-01 1.486049e-02 3.549839e-02 0.004395 0.020720 True md_ensemble 7 252 282 CE2_GB1_30 CE1_GB1_33 1 1.032269e-03 2.828832e-06 ; 3.740839e-01 9.417133e-02 1.303386e-02 3.846078e-02 0.004395 0.020720 True md_ensemble 7 252 283 @@ -34131,15 +34131,15 @@ CE2_GB1_30 CZ_GB1_52 1 5.395557e-03 2.818291e-05 ; 4.165415e-01 2.582420e- CZ_GB1_30 CD2_GB1_52 1 6.687713e-03 3.826836e-05 ; 4.229221e-01 2.921833e-01 3.260623e-01 9.577156e-04 0.004395 0.020720 True md_ensemble 7 253 451 CZ_GB1_30 CE1_GB1_52 1 5.042159e-03 3.229736e-05 ; 4.309482e-01 1.967914e-01 5.132086e-02 1.288702e-03 0.004395 0.020720 True md_ensemble 7 253 452 CZ_GB1_30 CE2_GB1_52 1 5.042159e-03 3.229736e-05 ; 4.309482e-01 1.967914e-01 5.132086e-02 1.288702e-03 0.004395 0.020720 True md_ensemble 7 253 453 - C_GB1_30 CB_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 259 - C_GB1_30 CG_GB1_31 1 0.000000e+00 6.333368e-06 ; 3.285725e-01 -6.333368e-06 9.996416e-01 9.995480e-01 0.004395 0.001132 True md_ensemble 4 254 260 - C_GB1_30 CD_GB1_31 1 0.000000e+00 7.851331e-06 ; 3.345083e-01 -7.851331e-06 1.483003e-01 3.878613e-01 0.004395 0.001132 True md_ensemble 5 254 261 - C_GB1_30 CE_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 262 - C_GB1_30 O_GB1_31 1 0.000000e+00 6.724858e-07 ; 2.725641e-01 -6.724858e-07 9.996656e-01 8.128848e-01 0.004395 0.001132 True md_ensemble 4 254 265 - C_GB1_30 N_GB1_32 1 0.000000e+00 1.480379e-06 ; 2.910892e-01 -1.480379e-06 9.999976e-01 9.815847e-01 0.004395 0.001132 True md_ensemble 4 254 266 - C_GB1_30 CA_GB1_32 1 0.000000e+00 1.180144e-05 ; 3.460639e-01 -1.180144e-05 9.999995e-01 9.041949e-01 0.004395 0.001132 True md_ensemble 5 254 268 - C_GB1_30 CB_GB1_32 1 0.000000e+00 3.662855e-06 ; 3.139159e-01 -3.662855e-06 6.944308e-01 2.727190e-01 0.004395 0.001132 True md_ensemble 6 254 269 - C_GB1_30 CG_GB1_32 1 0.000000e+00 7.248103e-06 ; 3.322873e-01 -7.248103e-06 3.227858e-02 1.766025e-01 0.004395 0.001132 True md_ensemble 7 254 270 + C_GB1_30 CB_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 259 + C_GB1_30 CG_GB1_31 1 0.000000e+00 6.333262e-06 ; 3.285721e-01 -6.333262e-06 9.996416e-01 9.995480e-01 0.004395 0.001132 True md_ensemble 4 254 260 + C_GB1_30 CD_GB1_31 1 0.000000e+00 7.851199e-06 ; 3.345079e-01 -7.851199e-06 1.483003e-01 3.878613e-01 0.004395 0.001132 True md_ensemble 5 254 261 + C_GB1_30 CE_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 262 + C_GB1_30 O_GB1_31 1 0.000000e+00 6.724827e-07 ; 2.725640e-01 -6.724827e-07 9.996656e-01 8.128848e-01 0.004395 0.001132 True md_ensemble 4 254 265 + C_GB1_30 N_GB1_32 1 0.000000e+00 1.480359e-06 ; 2.910889e-01 -1.480359e-06 9.999976e-01 9.815847e-01 0.004395 0.001132 True md_ensemble 4 254 266 + C_GB1_30 CA_GB1_32 1 0.000000e+00 1.180138e-05 ; 3.460637e-01 -1.180138e-05 9.999995e-01 9.041949e-01 0.004395 0.001132 True md_ensemble 5 254 268 + C_GB1_30 CB_GB1_32 1 0.000000e+00 3.662793e-06 ; 3.139155e-01 -3.662793e-06 6.944308e-01 2.727190e-01 0.004395 0.001132 True md_ensemble 6 254 269 + C_GB1_30 CG_GB1_32 1 0.000000e+00 7.247981e-06 ; 3.322868e-01 -7.247981e-06 3.227858e-02 1.766025e-01 0.004395 0.001132 True md_ensemble 7 254 270 C_GB1_30 C_GB1_32 1 1.352956e-03 5.818816e-06 ; 4.032662e-01 7.864531e-02 9.918863e-01 2.159870e-01 0.004395 0.001132 True md_ensemble 6 254 274 C_GB1_30 N_GB1_33 1 9.650833e-04 1.248405e-06 ; 3.300896e-01 1.865151e-01 9.999462e-01 2.754494e-01 0.004395 0.011584 True md_ensemble 7 254 276 C_GB1_30 CA_GB1_33 1 2.532274e-03 9.483678e-06 ; 3.940739e-01 1.690381e-01 9.999580e-01 2.830312e-01 0.004395 0.008482 True md_ensemble 7 254 278 @@ -34151,57 +34151,57 @@ CE2_GB1_30 CZ_GB1_52 1 5.395557e-03 2.818291e-05 ; 4.165415e-01 2.582420e- C_GB1_30 N_GB1_34 1 2.234400e-03 4.570494e-06 ; 3.562873e-01 2.730855e-01 9.966586e-01 5.127011e-02 0.004395 0.011584 True md_ensemble 7 254 289 C_GB1_30 CA_GB1_34 1 6.586028e-03 4.641069e-05 ; 4.378571e-01 2.336518e-01 9.963112e-01 8.059938e-02 0.004395 0.008482 True md_ensemble 7 254 291 C_GB1_30 CB_GB1_34 1 1.999396e-03 7.466376e-06 ; 3.938841e-01 1.338529e-01 9.923580e-01 7.411356e-02 0.004395 0.001132 True md_ensemble 7 254 292 - C_GB1_30 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 298 - C_GB1_30 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 307 - C_GB1_30 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 316 - C_GB1_30 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 324 - C_GB1_30 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 330 - C_GB1_30 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 331 - C_GB1_30 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 332 - C_GB1_30 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 338 - C_GB1_30 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 346 - C_GB1_30 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 352 - C_GB1_30 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 353 - C_GB1_30 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 362 + C_GB1_30 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 298 + C_GB1_30 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 307 + C_GB1_30 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 316 + C_GB1_30 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 324 + C_GB1_30 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 330 + C_GB1_30 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 331 + C_GB1_30 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 332 + C_GB1_30 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 338 + C_GB1_30 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 346 + C_GB1_30 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 352 + C_GB1_30 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 353 + C_GB1_30 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 362 C_GB1_30 CZ2_GB1_43 1 4.461050e-03 1.445240e-05 ; 3.846660e-01 3.442502e-01 8.945370e-01 1.723175e-03 0.004395 0.015243 True md_ensemble 7 254 369 C_GB1_30 CZ3_GB1_43 1 6.226823e-03 3.032526e-05 ; 4.117084e-01 3.196454e-01 5.552337e-01 1.644879e-03 0.004395 0.015243 True md_ensemble 7 254 370 C_GB1_30 CH2_GB1_43 1 2.112926e-03 3.189793e-06 ; 3.386983e-01 3.499018e-01 9.980988e-01 1.810667e-03 0.004395 0.015243 True md_ensemble 7 254 371 - C_GB1_30 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 377 - C_GB1_30 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 379 - C_GB1_30 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 385 - C_GB1_30 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 398 - C_GB1_30 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 407 - C_GB1_30 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 416 - C_GB1_30 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 422 - C_GB1_30 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 424 - C_GB1_30 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 430 - C_GB1_30 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 431 - C_GB1_30 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 432 - C_GB1_30 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 433 - C_GB1_30 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 440 - C_GB1_30 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 442 - C_GB1_30 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 448 - C_GB1_30 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 460 - C_GB1_30 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 462 - C_GB1_30 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 468 - C_GB1_30 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 469 - C_GB1_30 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 470 - C_GB1_30 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 476 - C_GB1_30 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 478 - C_GB1_30 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 484 - C_GB1_30 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 485 + C_GB1_30 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 377 + C_GB1_30 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 379 + C_GB1_30 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 385 + C_GB1_30 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 398 + C_GB1_30 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 407 + C_GB1_30 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 416 + C_GB1_30 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 422 + C_GB1_30 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 424 + C_GB1_30 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 430 + C_GB1_30 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 431 + C_GB1_30 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 432 + C_GB1_30 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 433 + C_GB1_30 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 440 + C_GB1_30 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 442 + C_GB1_30 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 448 + C_GB1_30 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 460 + C_GB1_30 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 462 + C_GB1_30 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 468 + C_GB1_30 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 469 + C_GB1_30 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 470 + C_GB1_30 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 476 + C_GB1_30 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 478 + C_GB1_30 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 484 + C_GB1_30 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 254 485 O_GB1_30 O_GB1_30 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 255 255 O_GB1_30 H_GB1_31 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 255 257 - O_GB1_30 CB_GB1_31 1 0.000000e+00 2.015539e-06 ; 2.986718e-01 -2.015539e-06 9.999946e-01 9.999363e-01 0.004395 0.001132 True md_ensemble 4 255 259 - O_GB1_30 CG_GB1_31 1 0.000000e+00 2.746680e-06 ; 3.064754e-01 -2.746680e-06 2.521329e-01 6.148055e-01 0.004395 0.001132 True md_ensemble 5 255 260 + O_GB1_30 CB_GB1_31 1 0.000000e+00 2.015531e-06 ; 2.986717e-01 -2.015531e-06 9.999946e-01 9.999363e-01 0.004395 0.001132 True md_ensemble 4 255 259 + O_GB1_30 CG_GB1_31 1 0.000000e+00 2.746669e-06 ; 3.064753e-01 -2.746669e-06 2.521329e-01 6.148055e-01 0.004395 0.001132 True md_ensemble 5 255 260 O_GB1_30 CD_GB1_31 1 0.000000e+00 2.015656e-06 ; 2.986733e-01 -2.015656e-06 1.363217e-03 1.219904e-01 0.004395 0.001132 True md_ensemble 6 255 261 O_GB1_30 CE_GB1_31 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.902912e-02 0.004395 0.007862 True md_ensemble 7 255 262 - O_GB1_30 C_GB1_31 1 0.000000e+00 8.226599e-07 ; 2.771809e-01 -8.226599e-07 1.000000e+00 9.948207e-01 0.004395 0.001132 True md_ensemble 4 255 264 + O_GB1_30 C_GB1_31 1 0.000000e+00 8.226561e-07 ; 2.771808e-01 -8.226561e-07 1.000000e+00 9.948207e-01 0.004395 0.001132 True md_ensemble 4 255 264 O_GB1_30 O_GB1_31 1 0.000000e+00 1.218885e-06 ; 2.864124e-01 -1.218885e-06 1.000000e+00 8.125898e-01 0.004395 0.001132 True md_ensemble 5 255 265 O_GB1_30 N_GB1_32 1 0.000000e+00 1.350776e-06 ; 2.888752e-01 -1.350776e-06 9.999946e-01 9.005117e-01 0.004395 0.001132 True md_ensemble 5 255 266 - O_GB1_30 H_GB1_32 1 0.000000e+00 1.736983e-08 ; 2.009762e-01 -1.736983e-08 7.402466e-02 1.934888e-01 0.004395 0.001132 True md_ensemble 6 255 267 - O_GB1_30 CA_GB1_32 1 0.000000e+00 2.398852e-06 ; 3.030367e-01 -2.398852e-06 9.990381e-01 5.765885e-01 0.004395 0.001132 True md_ensemble 6 255 268 - O_GB1_30 CB_GB1_32 1 0.000000e+00 2.184448e-06 ; 3.006816e-01 -2.184448e-06 7.944295e-03 9.168487e-02 0.004395 0.007862 True md_ensemble 7 255 269 + O_GB1_30 H_GB1_32 1 0.000000e+00 1.737010e-08 ; 2.009765e-01 -1.737010e-08 7.402466e-02 1.934888e-01 0.004395 0.001132 True md_ensemble 6 255 267 + O_GB1_30 CA_GB1_32 1 0.000000e+00 2.398871e-06 ; 3.030369e-01 -2.398871e-06 9.990381e-01 5.765885e-01 0.004395 0.001132 True md_ensemble 6 255 268 + O_GB1_30 CB_GB1_32 1 0.000000e+00 2.184440e-06 ; 3.006815e-01 -2.184440e-06 7.944295e-03 9.168487e-02 0.004395 0.007862 True md_ensemble 7 255 269 O_GB1_30 CG_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 9.358200e-04 1.088140e-01 0.004395 0.007862 True md_ensemble 7 255 270 O_GB1_30 OE1_GB1_32 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 255 272 O_GB1_30 C_GB1_32 1 1.995891e-03 4.448316e-06 ; 3.614180e-01 2.238815e-01 9.039311e-01 1.206855e-01 0.004395 0.011584 True md_ensemble 7 255 274 @@ -34320,14 +34320,14 @@ CE2_GB1_30 CZ_GB1_52 1 5.395557e-03 2.818291e-05 ; 4.165415e-01 2.582420e- O_GB1_30 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 255 488 O_GB1_30 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 255 490 O_GB1_30 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 255 491 - N_GB1_31 CB_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 259 - N_GB1_31 CG_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 260 - N_GB1_31 CD_GB1_31 1 0.000000e+00 3.666869e-06 ; 3.139445e-01 -3.666869e-06 9.590649e-01 9.565587e-01 0.004395 0.001132 True md_ensemble 4 256 261 - N_GB1_31 CE_GB1_31 1 0.000000e+00 4.383571e-06 ; 3.186501e-01 -4.383571e-06 1.092545e-01 3.017120e-01 0.004395 0.001132 True md_ensemble 5 256 262 + N_GB1_31 CB_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 259 + N_GB1_31 CG_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 260 + N_GB1_31 CD_GB1_31 1 0.000000e+00 3.666820e-06 ; 3.139442e-01 -3.666820e-06 9.590649e-01 9.565587e-01 0.004395 0.001132 True md_ensemble 4 256 261 + N_GB1_31 CE_GB1_31 1 0.000000e+00 4.383513e-06 ; 3.186497e-01 -4.383513e-06 1.092545e-01 3.017120e-01 0.004395 0.001132 True md_ensemble 5 256 262 N_GB1_31 NZ_GB1_31 1 0.000000e+00 8.752940e-07 ; 2.786171e-01 -8.752940e-07 0.000000e+00 2.682230e-02 0.004395 0.001132 True md_ensemble 6 256 263 - N_GB1_31 CA_GB1_32 1 0.000000e+00 7.574858e-06 ; 3.335105e-01 -7.574858e-06 9.999955e-01 9.999775e-01 0.004395 0.001132 True md_ensemble 4 256 268 - N_GB1_31 CB_GB1_32 1 0.000000e+00 2.505537e-06 ; 3.041376e-01 -2.505537e-06 7.977344e-01 4.793125e-01 0.004395 0.001132 True md_ensemble 5 256 269 - N_GB1_31 CG_GB1_32 1 0.000000e+00 4.298688e-06 ; 3.181312e-01 -4.298688e-06 7.603991e-02 2.454067e-01 0.004395 0.001132 True md_ensemble 6 256 270 + N_GB1_31 CA_GB1_32 1 0.000000e+00 7.574847e-06 ; 3.335105e-01 -7.574847e-06 9.999955e-01 9.999775e-01 0.004395 0.001132 True md_ensemble 4 256 268 + N_GB1_31 CB_GB1_32 1 0.000000e+00 2.505504e-06 ; 3.041372e-01 -2.505504e-06 7.977344e-01 4.793125e-01 0.004395 0.001132 True md_ensemble 5 256 269 + N_GB1_31 CG_GB1_32 1 0.000000e+00 4.298631e-06 ; 3.181309e-01 -4.298631e-06 7.603991e-02 2.454067e-01 0.004395 0.001132 True md_ensemble 6 256 270 N_GB1_31 C_GB1_32 1 1.626873e-03 7.677131e-06 ; 4.095506e-01 8.618828e-02 6.074553e-01 1.142835e-01 0.004395 0.001132 True md_ensemble 5 256 274 N_GB1_31 O_GB1_32 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 0.000000e+00 1.150531e-01 0.004395 0.001132 True md_ensemble 6 256 275 N_GB1_31 N_GB1_33 1 9.699047e-04 2.617885e-06 ; 3.731387e-01 8.983540e-02 9.169167e-01 1.607303e-01 0.004395 0.001132 True md_ensemble 6 256 276 @@ -34337,67 +34337,67 @@ CE2_GB1_30 CZ_GB1_52 1 5.395557e-03 2.818291e-05 ; 4.165415e-01 2.582420e- N_GB1_31 CA_GB1_34 1 1.188207e-02 1.305533e-04 ; 4.715010e-01 2.703562e-01 3.506935e-01 1.392808e-02 0.004395 0.008482 True md_ensemble 7 256 291 N_GB1_31 CB_GB1_34 1 3.510154e-03 1.962315e-05 ; 4.212828e-01 1.569725e-01 6.423285e-01 3.064550e-02 0.004395 0.001132 True md_ensemble 7 256 292 N_GB1_31 N_GB1_35 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 256 295 - N_GB1_31 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 298 + N_GB1_31 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 298 N_GB1_31 N_GB1_36 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 256 304 - N_GB1_31 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 307 + N_GB1_31 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 307 N_GB1_31 N_GB1_37 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 256 313 - N_GB1_31 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 316 + N_GB1_31 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 316 N_GB1_31 N_GB1_38 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 256 322 - N_GB1_31 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 324 + N_GB1_31 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 324 N_GB1_31 N_GB1_39 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 256 327 - N_GB1_31 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 330 - N_GB1_31 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 331 - N_GB1_31 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 332 + N_GB1_31 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 330 + N_GB1_31 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 331 + N_GB1_31 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 332 N_GB1_31 N_GB1_40 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 256 335 - N_GB1_31 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 338 + N_GB1_31 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 338 N_GB1_31 N_GB1_41 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 256 344 - N_GB1_31 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 346 + N_GB1_31 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 346 N_GB1_31 N_GB1_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 256 349 - N_GB1_31 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 352 - N_GB1_31 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 353 + N_GB1_31 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 352 + N_GB1_31 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 353 N_GB1_31 N_GB1_43 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 256 359 - N_GB1_31 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 362 + N_GB1_31 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 362 N_GB1_31 CZ2_GB1_43 1 3.506620e-03 9.016939e-06 ; 3.701363e-01 3.409246e-01 8.386943e-01 9.013975e-04 0.004395 0.015244 True md_ensemble 7 256 369 N_GB1_31 CZ3_GB1_43 1 4.622231e-03 1.865484e-05 ; 3.990157e-01 2.863199e-01 2.910334e-01 6.099420e-04 0.004395 0.015244 True md_ensemble 7 256 370 N_GB1_31 CH2_GB1_43 1 1.950173e-03 2.719669e-06 ; 3.342518e-01 3.495992e-01 9.922617e-01 1.027868e-03 0.004395 0.015244 True md_ensemble 7 256 371 N_GB1_31 N_GB1_44 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 256 374 - N_GB1_31 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 377 - N_GB1_31 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 379 + N_GB1_31 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 377 + N_GB1_31 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 379 N_GB1_31 N_GB1_45 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 256 382 - N_GB1_31 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 385 + N_GB1_31 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 385 N_GB1_31 N_GB1_46 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 256 395 - N_GB1_31 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 398 + N_GB1_31 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 398 N_GB1_31 N_GB1_47 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 256 404 - N_GB1_31 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 407 + N_GB1_31 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 407 N_GB1_31 N_GB1_48 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 256 413 - N_GB1_31 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 416 + N_GB1_31 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 416 N_GB1_31 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 256 419 - N_GB1_31 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 422 - N_GB1_31 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 424 + N_GB1_31 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 422 + N_GB1_31 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 424 N_GB1_31 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 256 427 - N_GB1_31 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 430 - N_GB1_31 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 431 - N_GB1_31 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 432 - N_GB1_31 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 433 + N_GB1_31 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 430 + N_GB1_31 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 431 + N_GB1_31 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 432 + N_GB1_31 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 433 N_GB1_31 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 256 434 N_GB1_31 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 256 437 - N_GB1_31 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 440 - N_GB1_31 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 442 + N_GB1_31 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 440 + N_GB1_31 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 442 N_GB1_31 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 256 445 - N_GB1_31 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 448 + N_GB1_31 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 448 N_GB1_31 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 256 457 - N_GB1_31 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 460 - N_GB1_31 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 462 + N_GB1_31 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 460 + N_GB1_31 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 462 N_GB1_31 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 256 465 - N_GB1_31 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 468 - N_GB1_31 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 469 - N_GB1_31 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 470 + N_GB1_31 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 468 + N_GB1_31 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 469 + N_GB1_31 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 470 N_GB1_31 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 7.208723e-07 0.004395 0.001132 True md_ensemble 7 256 473 - N_GB1_31 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 476 - N_GB1_31 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 478 + N_GB1_31 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 476 + N_GB1_31 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 478 N_GB1_31 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 256 481 - N_GB1_31 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 484 - N_GB1_31 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 485 + N_GB1_31 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 484 + N_GB1_31 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 256 485 H_GB1_31 H_GB1_31 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 257 257 H_GB1_31 O_GB1_31 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 257 265 H_GB1_31 H_GB1_32 1 0.000000e+00 8.120393e-09 ; 1.886368e-01 -8.120393e-09 9.796893e-01 6.563887e-01 0.004395 0.001132 True md_ensemble 5 257 267 @@ -34473,17 +34473,17 @@ CE2_GB1_30 CZ_GB1_52 1 5.395557e-03 2.818291e-05 ; 4.165415e-01 2.582420e- H_GB1_31 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 257 488 H_GB1_31 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 257 490 H_GB1_31 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 257 491 - CA_GB1_31 CE_GB1_31 1 0.000000e+00 3.181318e-05 ; 3.758769e-01 -3.181318e-05 9.999996e-01 9.999848e-01 0.004395 0.001132 True md_ensemble 4 258 262 - CA_GB1_31 NZ_GB1_31 1 0.000000e+00 9.556270e-06 ; 3.400314e-01 -9.556270e-06 1.908905e-01 4.524451e-01 0.004395 0.001132 True md_ensemble 5 258 263 - CA_GB1_31 CB_GB1_32 1 0.000000e+00 3.181335e-05 ; 3.758770e-01 -3.181335e-05 1.000000e+00 9.999905e-01 0.004395 0.001132 True md_ensemble 4 258 269 - CA_GB1_31 CG_GB1_32 1 0.000000e+00 4.052684e-05 ; 3.835367e-01 -4.052684e-05 5.718883e-01 8.457704e-01 0.004395 0.001132 True md_ensemble 5 258 270 - CA_GB1_31 CD_GB1_32 1 0.000000e+00 1.303038e-05 ; 3.489325e-01 -1.303038e-05 4.257826e-02 4.093178e-02 0.004395 0.001132 True md_ensemble 6 258 271 + CA_GB1_31 CE_GB1_31 1 0.000000e+00 3.181305e-05 ; 3.758767e-01 -3.181305e-05 9.999996e-01 9.999848e-01 0.004395 0.001132 True md_ensemble 4 258 262 + CA_GB1_31 NZ_GB1_31 1 0.000000e+00 9.556255e-06 ; 3.400314e-01 -9.556255e-06 1.908905e-01 4.524451e-01 0.004395 0.001132 True md_ensemble 5 258 263 + CA_GB1_31 CB_GB1_32 1 0.000000e+00 3.181322e-05 ; 3.758769e-01 -3.181322e-05 1.000000e+00 9.999905e-01 0.004395 0.001132 True md_ensemble 4 258 269 + CA_GB1_31 CG_GB1_32 1 0.000000e+00 4.052667e-05 ; 3.835365e-01 -4.052667e-05 5.718883e-01 8.457704e-01 0.004395 0.001132 True md_ensemble 5 258 270 + CA_GB1_31 CD_GB1_32 1 0.000000e+00 1.303031e-05 ; 3.489323e-01 -1.303031e-05 4.257826e-02 4.093178e-02 0.004395 0.001132 True md_ensemble 6 258 271 CA_GB1_31 OE1_GB1_32 1 2.685704e-03 1.204370e-05 ; 4.060850e-01 1.497258e-01 2.088011e-02 8.593361e-03 0.004395 0.008483 True md_ensemble 7 258 272 CA_GB1_31 NE2_GB1_32 1 1.855270e-03 9.779738e-06 ; 4.171767e-01 8.798869e-02 1.845465e-02 2.513264e-02 0.004395 0.008483 True md_ensemble 7 258 273 - CA_GB1_31 C_GB1_32 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 258 274 - CA_GB1_31 O_GB1_32 1 0.000000e+00 4.863239e-06 ; 3.214194e-01 -4.863239e-06 1.112335e-01 2.821123e-01 0.004395 0.001132 True md_ensemble 5 258 275 - CA_GB1_31 N_GB1_33 1 0.000000e+00 5.835846e-06 ; 3.263400e-01 -5.835846e-06 1.000000e+00 7.704093e-01 0.004395 0.001132 True md_ensemble 5 258 276 - CA_GB1_31 CA_GB1_33 1 0.000000e+00 4.945654e-05 ; 3.899542e-01 -4.945654e-05 1.000000e+00 7.544197e-01 0.004395 0.001132 True md_ensemble 6 258 278 + CA_GB1_31 C_GB1_32 1 0.000000e+00 1.305180e-05 ; 3.489803e-01 -1.305180e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 258 274 + CA_GB1_31 O_GB1_32 1 0.000000e+00 4.863277e-06 ; 3.214196e-01 -4.863277e-06 1.112335e-01 2.821123e-01 0.004395 0.001132 True md_ensemble 5 258 275 + CA_GB1_31 N_GB1_33 1 0.000000e+00 5.835837e-06 ; 3.263400e-01 -5.835837e-06 1.000000e+00 7.704093e-01 0.004395 0.001132 True md_ensemble 5 258 276 + CA_GB1_31 CA_GB1_33 1 0.000000e+00 4.945691e-05 ; 3.899545e-01 -4.945691e-05 1.000000e+00 7.544197e-01 0.004395 0.001132 True md_ensemble 6 258 278 CA_GB1_31 CB_GB1_33 1 1.113403e-02 1.998712e-04 ; 5.117010e-01 1.550582e-01 9.225423e-01 2.872566e-01 0.004395 0.007117 True md_ensemble 7 258 279 CA_GB1_31 C_GB1_33 1 9.320660e-03 1.095496e-04 ; 4.768268e-01 1.982543e-01 9.090728e-01 1.460529e-01 0.004395 0.008482 True md_ensemble 7 258 287 CA_GB1_31 N_GB1_34 1 2.795530e-03 9.937461e-06 ; 3.906627e-01 1.966042e-01 9.998290e-01 1.658562e-01 0.004395 0.008482 True md_ensemble 7 258 289 @@ -34503,69 +34503,69 @@ CE2_GB1_30 CZ_GB1_52 1 5.395557e-03 2.818291e-05 ; 4.165415e-01 2.582420e- CA_GB1_31 CZ2_GB1_43 1 2.705221e-03 5.227624e-06 ; 3.529260e-01 3.499782e-01 9.995785e-01 4.699157e-03 0.004395 0.010759 True md_ensemble 7 258 369 CA_GB1_31 CZ3_GB1_43 1 1.116353e-02 9.061276e-05 ; 4.482958e-01 3.438377e-01 8.874139e-01 3.421605e-03 0.004395 0.010759 True md_ensemble 7 258 370 CA_GB1_31 CH2_GB1_43 1 2.554013e-03 4.659380e-06 ; 3.495566e-01 3.499921e-01 9.998470e-01 4.853805e-03 0.004395 0.010759 True md_ensemble 7 258 371 - CB_GB1_31 NZ_GB1_31 1 0.000000e+00 3.999696e-06 ; 3.162258e-01 -3.999696e-06 8.659385e-01 9.539709e-01 0.004395 0.001132 True md_ensemble 4 259 263 - CB_GB1_31 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 264 + CB_GB1_31 NZ_GB1_31 1 0.000000e+00 3.999643e-06 ; 3.162254e-01 -3.999643e-06 8.659385e-01 9.539709e-01 0.004395 0.001132 True md_ensemble 4 259 263 + CB_GB1_31 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 264 CB_GB1_31 O_GB1_31 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 265 - CB_GB1_31 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 266 - CB_GB1_31 CA_GB1_32 1 0.000000e+00 3.181361e-05 ; 3.758773e-01 -3.181361e-05 9.999966e-01 9.999951e-01 0.004395 0.001132 True md_ensemble 4 259 268 - CB_GB1_31 CB_GB1_32 1 0.000000e+00 1.157035e-05 ; 3.454940e-01 -1.157035e-05 9.110443e-01 6.604729e-01 0.004395 0.001132 True md_ensemble 5 259 269 - CB_GB1_31 CG_GB1_32 1 0.000000e+00 1.464611e-05 ; 3.523480e-01 -1.464611e-05 4.529221e-01 4.015717e-01 0.004395 0.001132 True md_ensemble 6 259 270 - CB_GB1_31 CD_GB1_32 1 0.000000e+00 6.278436e-06 ; 3.283341e-01 -6.278436e-06 2.769645e-02 1.893022e-02 0.004395 0.001132 True md_ensemble 7 259 271 + CB_GB1_31 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 266 + CB_GB1_31 CA_GB1_32 1 0.000000e+00 3.181347e-05 ; 3.758771e-01 -3.181347e-05 9.999966e-01 9.999951e-01 0.004395 0.001132 True md_ensemble 4 259 268 + CB_GB1_31 CB_GB1_32 1 0.000000e+00 1.157017e-05 ; 3.454936e-01 -1.157017e-05 9.110443e-01 6.604729e-01 0.004395 0.001132 True md_ensemble 5 259 269 + CB_GB1_31 CG_GB1_32 1 0.000000e+00 1.464587e-05 ; 3.523476e-01 -1.464587e-05 4.529221e-01 4.015717e-01 0.004395 0.001132 True md_ensemble 6 259 270 + CB_GB1_31 CD_GB1_32 1 0.000000e+00 6.278331e-06 ; 3.283336e-01 -6.278331e-06 2.769645e-02 1.893022e-02 0.004395 0.001132 True md_ensemble 7 259 271 CB_GB1_31 OE1_GB1_32 1 9.447218e-04 1.463244e-06 ; 3.401487e-01 1.524864e-01 2.174380e-02 6.051928e-03 0.004395 0.007862 True md_ensemble 7 259 272 - CB_GB1_31 NE2_GB1_32 1 0.000000e+00 6.316561e-06 ; 3.284998e-01 -6.316561e-06 1.860849e-02 1.632531e-02 0.004395 0.001132 True md_ensemble 7 259 273 - CB_GB1_31 C_GB1_32 1 0.000000e+00 7.648928e-06 ; 3.337811e-01 -7.648928e-06 4.677977e-02 2.543856e-01 0.004395 0.001132 True md_ensemble 5 259 274 + CB_GB1_31 NE2_GB1_32 1 0.000000e+00 6.316526e-06 ; 3.284996e-01 -6.316526e-06 1.860849e-02 1.632531e-02 0.004395 0.001132 True md_ensemble 7 259 273 + CB_GB1_31 C_GB1_32 1 0.000000e+00 7.648800e-06 ; 3.337806e-01 -7.648800e-06 4.677977e-02 2.543856e-01 0.004395 0.001132 True md_ensemble 5 259 274 CB_GB1_31 O_GB1_32 1 0.000000e+00 2.015656e-06 ; 2.986733e-01 -2.015656e-06 0.000000e+00 4.791108e-02 0.004395 0.001132 True md_ensemble 6 259 275 - CB_GB1_31 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 276 - CB_GB1_31 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 286 - CB_GB1_31 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 287 + CB_GB1_31 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 276 + CB_GB1_31 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 286 + CB_GB1_31 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 287 CB_GB1_31 O_GB1_33 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.525059e-02 0.004395 0.007862 True md_ensemble 7 259 288 - CB_GB1_31 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 289 + CB_GB1_31 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 289 CB_GB1_31 CA_GB1_34 1 1.236602e-02 2.783112e-04 ; 5.313534e-01 1.373629e-01 2.005392e-01 8.799174e-02 0.004395 0.007117 True md_ensemble 7 259 291 CB_GB1_31 CB_GB1_34 1 9.200854e-03 9.748004e-05 ; 4.686493e-01 2.171104e-01 5.621882e-01 8.977648e-02 0.004395 0.012151 True md_ensemble 7 259 292 - CB_GB1_31 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 293 + CB_GB1_31 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 293 CB_GB1_31 O_GB1_34 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 8.861881e-03 0.004395 0.007862 True md_ensemble 7 259 294 - CB_GB1_31 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 295 + CB_GB1_31 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 295 CB_GB1_31 CA_GB1_35 1 8.849758e-03 1.605321e-04 ; 5.125919e-01 1.219666e-01 2.289166e-02 1.353710e-02 0.004395 0.007117 True md_ensemble 7 259 297 CB_GB1_31 CB_GB1_35 1 6.481209e-03 5.559013e-05 ; 4.524358e-01 1.889097e-01 7.646295e-02 1.364376e-02 0.004395 0.007860 True md_ensemble 7 259 298 CB_GB1_31 CG_GB1_35 1 3.791692e-03 2.045400e-05 ; 4.187848e-01 1.757227e-01 2.529105e-01 8.389527e-03 0.004395 0.001132 True md_ensemble 7 259 299 CB_GB1_31 OD1_GB1_35 1 1.300409e-03 1.812739e-06 ; 3.342278e-01 2.332194e-01 1.039786e-01 7.645026e-03 0.004395 0.007862 True md_ensemble 7 259 300 CB_GB1_31 ND2_GB1_35 1 2.066532e-03 5.724498e-06 ; 3.747565e-01 1.865034e-01 5.739912e-01 1.544986e-02 0.004395 0.001132 True md_ensemble 7 259 301 - CB_GB1_31 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 302 + CB_GB1_31 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 302 CB_GB1_31 O_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.527766e-04 0.004395 0.007862 True md_ensemble 7 259 303 - CB_GB1_31 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 304 - CB_GB1_31 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 308 - CB_GB1_31 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 309 - CB_GB1_31 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 310 - CB_GB1_31 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 311 + CB_GB1_31 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 304 + CB_GB1_31 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 308 + CB_GB1_31 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 309 + CB_GB1_31 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 310 + CB_GB1_31 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 311 CB_GB1_31 O_GB1_36 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.905521e-03 0.004395 0.007862 True md_ensemble 7 259 312 - CB_GB1_31 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 313 - CB_GB1_31 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 317 + CB_GB1_31 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 313 + CB_GB1_31 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 317 CB_GB1_31 OD1_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.884290e-03 0.004395 0.007862 True md_ensemble 7 259 318 - CB_GB1_31 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 319 - CB_GB1_31 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 320 + CB_GB1_31 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 319 + CB_GB1_31 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 320 CB_GB1_31 O_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.563721e-03 0.004395 0.007862 True md_ensemble 7 259 321 - CB_GB1_31 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 322 - CB_GB1_31 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 325 + CB_GB1_31 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 322 + CB_GB1_31 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 325 CB_GB1_31 O_GB1_38 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.777936e-04 0.004395 0.007862 True md_ensemble 7 259 326 - CB_GB1_31 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 327 - CB_GB1_31 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 333 + CB_GB1_31 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 327 + CB_GB1_31 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 333 CB_GB1_31 O_GB1_39 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.749232e-04 0.004395 0.007862 True md_ensemble 7 259 334 - CB_GB1_31 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 335 - CB_GB1_31 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 339 - CB_GB1_31 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 340 - CB_GB1_31 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 341 - CB_GB1_31 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 342 + CB_GB1_31 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 335 + CB_GB1_31 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 339 + CB_GB1_31 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 340 + CB_GB1_31 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 341 + CB_GB1_31 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 342 CB_GB1_31 O_GB1_40 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.852667e-04 0.004395 0.007862 True md_ensemble 7 259 343 - CB_GB1_31 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 344 - CB_GB1_31 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 347 + CB_GB1_31 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 344 + CB_GB1_31 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 347 CB_GB1_31 O_GB1_41 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.454716e-04 0.004395 0.007862 True md_ensemble 7 259 348 - CB_GB1_31 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 349 - CB_GB1_31 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 354 - CB_GB1_31 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 355 - CB_GB1_31 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 356 - CB_GB1_31 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 357 + CB_GB1_31 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 349 + CB_GB1_31 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 354 + CB_GB1_31 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 355 + CB_GB1_31 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 356 + CB_GB1_31 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 357 CB_GB1_31 O_GB1_42 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.007833e-04 0.004395 0.007862 True md_ensemble 7 259 358 - CB_GB1_31 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 359 + CB_GB1_31 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 359 CB_GB1_31 CD2_GB1_43 1 5.712843e-03 5.359116e-05 ; 4.592405e-01 1.522479e-01 2.164352e-02 1.261890e-03 0.004395 0.012152 True md_ensemble 7 259 365 CB_GB1_31 NE1_GB1_43 1 4.227711e-03 3.165129e-05 ; 4.422974e-01 1.411755e-01 4.011281e-02 2.599390e-03 0.004395 0.001132 True md_ensemble 7 259 366 CB_GB1_31 CE2_GB1_43 1 8.275529e-03 5.692922e-05 ; 4.361038e-01 3.007436e-01 3.849114e-01 2.629149e-03 0.004395 0.012152 True md_ensemble 7 259 367 @@ -34573,127 +34573,127 @@ CE2_GB1_30 CZ_GB1_52 1 5.395557e-03 2.818291e-05 ; 4.165415e-01 2.582420e- CB_GB1_31 CZ2_GB1_43 1 3.727844e-03 9.971846e-06 ; 3.725801e-01 3.484015e-01 9.694907e-01 4.014720e-03 0.004395 0.012152 True md_ensemble 7 259 369 CB_GB1_31 CZ3_GB1_43 1 8.932565e-03 6.716301e-05 ; 4.426145e-01 2.970040e-01 3.579982e-01 2.958447e-03 0.004395 0.012152 True md_ensemble 7 259 370 CB_GB1_31 CH2_GB1_43 1 3.884963e-03 1.081835e-05 ; 3.750844e-01 3.487811e-01 9.766505e-01 4.085254e-03 0.004395 0.012152 True md_ensemble 7 259 371 - CB_GB1_31 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 372 + CB_GB1_31 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 372 CB_GB1_31 O_GB1_43 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.000659e-04 0.004395 0.007862 True md_ensemble 7 259 373 - CB_GB1_31 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 374 - CB_GB1_31 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 378 - CB_GB1_31 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 380 + CB_GB1_31 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 374 + CB_GB1_31 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 378 + CB_GB1_31 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 380 CB_GB1_31 O_GB1_44 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.697355e-04 0.004395 0.007862 True md_ensemble 7 259 381 - CB_GB1_31 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 382 - CB_GB1_31 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 392 - CB_GB1_31 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 393 + CB_GB1_31 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 382 + CB_GB1_31 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 392 + CB_GB1_31 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 393 CB_GB1_31 O_GB1_45 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 259 394 - CB_GB1_31 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 395 - CB_GB1_31 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 399 - CB_GB1_31 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 400 - CB_GB1_31 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 401 - CB_GB1_31 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 402 + CB_GB1_31 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 395 + CB_GB1_31 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 399 + CB_GB1_31 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 400 + CB_GB1_31 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 401 + CB_GB1_31 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 402 CB_GB1_31 O_GB1_46 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 259 403 - CB_GB1_31 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 404 - CB_GB1_31 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 408 - CB_GB1_31 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 409 - CB_GB1_31 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 410 - CB_GB1_31 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 411 + CB_GB1_31 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 404 + CB_GB1_31 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 408 + CB_GB1_31 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 409 + CB_GB1_31 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 410 + CB_GB1_31 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 411 CB_GB1_31 O_GB1_47 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.534628e-06 0.004395 0.007862 True md_ensemble 7 259 412 - CB_GB1_31 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 413 - CB_GB1_31 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 417 + CB_GB1_31 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 413 + CB_GB1_31 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 417 CB_GB1_31 O_GB1_48 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.939860e-04 0.004395 0.007862 True md_ensemble 7 259 418 - CB_GB1_31 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 419 - CB_GB1_31 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 423 - CB_GB1_31 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 425 + CB_GB1_31 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 419 + CB_GB1_31 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 423 + CB_GB1_31 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 425 CB_GB1_31 O_GB1_49 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.343758e-04 0.004395 0.007862 True md_ensemble 7 259 426 - CB_GB1_31 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 427 - CB_GB1_31 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 434 - CB_GB1_31 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 435 + CB_GB1_31 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 427 + CB_GB1_31 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 434 + CB_GB1_31 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 435 CB_GB1_31 O_GB1_50 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.987394e-05 0.004395 0.007862 True md_ensemble 7 259 436 - CB_GB1_31 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 437 - CB_GB1_31 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 441 - CB_GB1_31 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 443 + CB_GB1_31 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 437 + CB_GB1_31 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 441 + CB_GB1_31 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 443 CB_GB1_31 O_GB1_51 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.964536e-05 0.004395 0.007862 True md_ensemble 7 259 444 - CB_GB1_31 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 445 - CB_GB1_31 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 455 + CB_GB1_31 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 445 + CB_GB1_31 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 455 CB_GB1_31 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.953584e-05 0.004395 0.007862 True md_ensemble 7 259 456 - CB_GB1_31 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 457 - CB_GB1_31 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 461 - CB_GB1_31 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 463 + CB_GB1_31 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 457 + CB_GB1_31 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 461 + CB_GB1_31 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 463 CB_GB1_31 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.632041e-04 0.004395 0.007862 True md_ensemble 7 259 464 - CB_GB1_31 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 465 - CB_GB1_31 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 471 + CB_GB1_31 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 465 + CB_GB1_31 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 471 CB_GB1_31 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 259 472 - CB_GB1_31 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 473 - CB_GB1_31 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 477 - CB_GB1_31 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 479 + CB_GB1_31 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 473 + CB_GB1_31 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 477 + CB_GB1_31 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 479 CB_GB1_31 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.788048e-05 0.004395 0.007862 True md_ensemble 7 259 480 - CB_GB1_31 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 481 - CB_GB1_31 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 486 - CB_GB1_31 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 487 - CB_GB1_31 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 488 - CB_GB1_31 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 489 - CB_GB1_31 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 490 - CB_GB1_31 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 491 - CG_GB1_31 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 263 - CG_GB1_31 C_GB1_31 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 264 - CG_GB1_31 O_GB1_31 1 0.000000e+00 1.939538e-06 ; 2.977167e-01 -1.939538e-06 9.982642e-01 9.605006e-01 0.004395 0.001132 True md_ensemble 4 260 265 - CG_GB1_31 N_GB1_32 1 0.000000e+00 3.592529e-06 ; 3.134092e-01 -3.592529e-06 9.990158e-01 9.762871e-01 0.004395 0.001132 True md_ensemble 4 260 266 - CG_GB1_31 CA_GB1_32 1 0.000000e+00 2.839572e-05 ; 3.723340e-01 -2.839572e-05 7.892177e-01 6.817817e-01 0.004395 0.001132 True md_ensemble 5 260 268 - CG_GB1_31 CB_GB1_32 1 0.000000e+00 1.690569e-05 ; 3.565861e-01 -1.690569e-05 5.636391e-02 1.513701e-01 0.004395 0.001132 True md_ensemble 6 260 269 + CB_GB1_31 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 481 + CB_GB1_31 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 486 + CB_GB1_31 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 487 + CB_GB1_31 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 488 + CB_GB1_31 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 489 + CB_GB1_31 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 490 + CB_GB1_31 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 259 491 + CG_GB1_31 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 263 + CG_GB1_31 C_GB1_31 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 264 + CG_GB1_31 O_GB1_31 1 0.000000e+00 1.939531e-06 ; 2.977166e-01 -1.939531e-06 9.982642e-01 9.605006e-01 0.004395 0.001132 True md_ensemble 4 260 265 + CG_GB1_31 N_GB1_32 1 0.000000e+00 3.592482e-06 ; 3.134088e-01 -3.592482e-06 9.990158e-01 9.762871e-01 0.004395 0.001132 True md_ensemble 4 260 266 + CG_GB1_31 CA_GB1_32 1 0.000000e+00 2.839560e-05 ; 3.723339e-01 -2.839560e-05 7.892177e-01 6.817817e-01 0.004395 0.001132 True md_ensemble 5 260 268 + CG_GB1_31 CB_GB1_32 1 0.000000e+00 1.690542e-05 ; 3.565856e-01 -1.690542e-05 5.636391e-02 1.513701e-01 0.004395 0.001132 True md_ensemble 6 260 269 CG_GB1_31 CG_GB1_32 1 2.083597e-03 1.428161e-05 ; 4.358401e-01 7.599597e-02 8.099799e-02 1.289622e-01 0.004395 0.007860 True md_ensemble 7 260 270 - CG_GB1_31 CD_GB1_32 1 0.000000e+00 6.375897e-06 ; 3.287558e-01 -6.375897e-06 1.538554e-02 2.200634e-02 0.004395 0.001132 True md_ensemble 7 260 271 + CG_GB1_31 CD_GB1_32 1 0.000000e+00 6.375790e-06 ; 3.287554e-01 -6.375790e-06 1.538554e-02 2.200634e-02 0.004395 0.001132 True md_ensemble 7 260 271 CG_GB1_31 OE1_GB1_32 1 6.092946e-04 6.854629e-07 ; 3.224973e-01 1.353975e-01 1.561283e-02 5.828912e-03 0.004395 0.007862 True md_ensemble 7 260 272 - CG_GB1_31 NE2_GB1_32 1 0.000000e+00 6.344244e-06 ; 3.286195e-01 -6.344244e-06 1.342537e-02 1.551477e-02 0.004395 0.001132 True md_ensemble 7 260 273 - CG_GB1_31 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 274 + CG_GB1_31 NE2_GB1_32 1 0.000000e+00 6.344208e-06 ; 3.286193e-01 -6.344208e-06 1.342537e-02 1.551477e-02 0.004395 0.001132 True md_ensemble 7 260 273 + CG_GB1_31 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 274 CG_GB1_31 O_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.067385e-02 0.004395 0.007862 True md_ensemble 7 260 275 - CG_GB1_31 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 276 - CG_GB1_31 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 286 - CG_GB1_31 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 287 + CG_GB1_31 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 276 + CG_GB1_31 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 286 + CG_GB1_31 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 287 CG_GB1_31 O_GB1_33 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.414537e-02 0.004395 0.007862 True md_ensemble 7 260 288 - CG_GB1_31 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 289 + CG_GB1_31 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 289 CG_GB1_31 CA_GB1_34 1 8.228519e-03 1.777557e-04 ; 5.277363e-01 9.522692e-02 5.290968e-02 5.253842e-02 0.004395 0.007117 True md_ensemble 7 260 291 CG_GB1_31 CB_GB1_34 1 8.458239e-03 8.579279e-05 ; 4.652594e-01 2.084727e-01 3.181275e-01 6.006120e-02 0.004395 0.012151 True md_ensemble 7 260 292 - CG_GB1_31 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 293 + CG_GB1_31 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 293 CG_GB1_31 O_GB1_34 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.723670e-03 0.004395 0.007862 True md_ensemble 7 260 294 - CG_GB1_31 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 295 + CG_GB1_31 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 295 CG_GB1_31 CA_GB1_35 1 1.637760e-02 3.396040e-04 ; 5.241478e-01 1.974548e-01 6.630180e-02 9.076434e-03 0.004395 0.007117 True md_ensemble 7 260 297 CG_GB1_31 CB_GB1_35 1 9.759727e-03 9.115962e-05 ; 4.589099e-01 2.612239e-01 2.227411e-01 9.784639e-03 0.004395 0.007860 True md_ensemble 7 260 298 CG_GB1_31 CG_GB1_35 1 2.773116e-03 9.578297e-06 ; 3.887944e-01 2.007187e-01 3.886539e-01 7.941784e-03 0.004395 0.001132 True md_ensemble 7 260 299 CG_GB1_31 OD1_GB1_35 1 1.225929e-03 1.347308e-06 ; 3.212429e-01 2.788713e-01 2.519072e-01 6.932541e-03 0.004395 0.007862 True md_ensemble 7 260 300 CG_GB1_31 ND2_GB1_35 1 1.181761e-03 1.835252e-06 ; 3.402993e-01 1.902408e-01 5.017717e-01 1.256215e-02 0.004395 0.001132 True md_ensemble 7 260 301 - CG_GB1_31 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 302 + CG_GB1_31 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 302 CG_GB1_31 O_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.153592e-04 0.004395 0.007862 True md_ensemble 7 260 303 - CG_GB1_31 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 304 - CG_GB1_31 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 308 - CG_GB1_31 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 309 - CG_GB1_31 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 310 - CG_GB1_31 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 311 + CG_GB1_31 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 304 + CG_GB1_31 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 308 + CG_GB1_31 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 309 + CG_GB1_31 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 310 + CG_GB1_31 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 311 CG_GB1_31 O_GB1_36 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.880978e-03 0.004395 0.007862 True md_ensemble 7 260 312 - CG_GB1_31 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 313 - CG_GB1_31 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 317 + CG_GB1_31 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 313 + CG_GB1_31 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 317 CG_GB1_31 OD1_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.597629e-03 0.004395 0.007862 True md_ensemble 7 260 318 - CG_GB1_31 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 319 - CG_GB1_31 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 320 + CG_GB1_31 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 319 + CG_GB1_31 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 320 CG_GB1_31 O_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.435719e-03 0.004395 0.007862 True md_ensemble 7 260 321 - CG_GB1_31 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 322 - CG_GB1_31 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 325 + CG_GB1_31 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 322 + CG_GB1_31 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 325 CG_GB1_31 O_GB1_38 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.109520e-03 0.004395 0.007862 True md_ensemble 7 260 326 - CG_GB1_31 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 327 - CG_GB1_31 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 333 + CG_GB1_31 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 327 + CG_GB1_31 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 333 CG_GB1_31 O_GB1_39 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.171397e-04 0.004395 0.007862 True md_ensemble 7 260 334 - CG_GB1_31 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 335 - CG_GB1_31 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 339 - CG_GB1_31 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 340 - CG_GB1_31 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 341 - CG_GB1_31 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 342 + CG_GB1_31 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 335 + CG_GB1_31 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 339 + CG_GB1_31 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 340 + CG_GB1_31 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 341 + CG_GB1_31 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 342 CG_GB1_31 O_GB1_40 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.451630e-04 0.004395 0.007862 True md_ensemble 7 260 343 - CG_GB1_31 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 344 - CG_GB1_31 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 347 + CG_GB1_31 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 344 + CG_GB1_31 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 347 CG_GB1_31 O_GB1_41 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.219999e-04 0.004395 0.007862 True md_ensemble 7 260 348 - CG_GB1_31 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 349 - CG_GB1_31 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 354 - CG_GB1_31 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 355 - CG_GB1_31 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 356 - CG_GB1_31 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 357 + CG_GB1_31 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 349 + CG_GB1_31 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 354 + CG_GB1_31 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 355 + CG_GB1_31 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 356 + CG_GB1_31 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 357 CG_GB1_31 O_GB1_42 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.083746e-04 0.004395 0.007862 True md_ensemble 7 260 358 - CG_GB1_31 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 359 + CG_GB1_31 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 359 CG_GB1_31 CB_GB1_43 1 4.524516e-03 6.940103e-05 ; 4.984623e-01 7.374257e-02 4.725762e-03 1.698899e-03 0.004395 0.007860 True md_ensemble 7 260 362 CG_GB1_31 CG_GB1_43 1 6.659561e-03 4.899088e-05 ; 4.410064e-01 2.263164e-01 9.095662e-02 1.139961e-03 0.004395 0.012152 True md_ensemble 7 260 363 CG_GB1_31 CD1_GB1_43 1 6.206528e-03 4.128157e-05 ; 4.336619e-01 2.332820e-01 1.041048e-01 2.696240e-03 0.004395 0.012152 True md_ensemble 7 260 364 @@ -34704,126 +34704,126 @@ CE2_GB1_30 CZ_GB1_52 1 5.395557e-03 2.818291e-05 ; 4.165415e-01 2.582420e- CG_GB1_31 CZ2_GB1_43 1 1.624299e-03 1.902701e-06 ; 3.246765e-01 3.466579e-01 9.372733e-01 5.002065e-03 0.004395 0.012152 True md_ensemble 7 260 369 CG_GB1_31 CZ3_GB1_43 1 3.606509e-03 1.029369e-05 ; 3.766292e-01 3.158952e-01 5.163054e-01 3.447719e-03 0.004395 0.012152 True md_ensemble 7 260 370 CG_GB1_31 CH2_GB1_43 1 1.905652e-03 2.650449e-06 ; 3.341022e-01 3.425374e-01 8.653263e-01 5.512335e-03 0.004395 0.012152 True md_ensemble 7 260 371 - CG_GB1_31 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 372 + CG_GB1_31 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 372 CG_GB1_31 O_GB1_43 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.268602e-04 0.004395 0.007862 True md_ensemble 7 260 373 - CG_GB1_31 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 374 - CG_GB1_31 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 378 - CG_GB1_31 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 380 + CG_GB1_31 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 374 + CG_GB1_31 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 378 + CG_GB1_31 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 380 CG_GB1_31 O_GB1_44 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.543276e-04 0.004395 0.007862 True md_ensemble 7 260 381 - CG_GB1_31 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 382 - CG_GB1_31 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 392 - CG_GB1_31 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 393 + CG_GB1_31 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 382 + CG_GB1_31 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 392 + CG_GB1_31 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 393 CG_GB1_31 O_GB1_45 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.141374e-04 0.004395 0.007862 True md_ensemble 7 260 394 - CG_GB1_31 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 395 - CG_GB1_31 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 399 - CG_GB1_31 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 400 - CG_GB1_31 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 401 - CG_GB1_31 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 402 + CG_GB1_31 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 395 + CG_GB1_31 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 399 + CG_GB1_31 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 400 + CG_GB1_31 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 401 + CG_GB1_31 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 402 CG_GB1_31 O_GB1_46 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000565e-04 0.004395 0.007862 True md_ensemble 7 260 403 - CG_GB1_31 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 404 - CG_GB1_31 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 408 - CG_GB1_31 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 409 - CG_GB1_31 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 410 - CG_GB1_31 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 411 + CG_GB1_31 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 404 + CG_GB1_31 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 408 + CG_GB1_31 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 409 + CG_GB1_31 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 410 + CG_GB1_31 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 411 CG_GB1_31 O_GB1_47 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000074e-04 0.004395 0.007862 True md_ensemble 7 260 412 - CG_GB1_31 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 413 - CG_GB1_31 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 417 + CG_GB1_31 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 413 + CG_GB1_31 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 417 CG_GB1_31 O_GB1_48 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.957348e-04 0.004395 0.007862 True md_ensemble 7 260 418 - CG_GB1_31 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 419 - CG_GB1_31 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 423 - CG_GB1_31 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 425 + CG_GB1_31 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 419 + CG_GB1_31 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 423 + CG_GB1_31 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 425 CG_GB1_31 O_GB1_49 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.998617e-04 0.004395 0.007862 True md_ensemble 7 260 426 - CG_GB1_31 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 427 - CG_GB1_31 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 434 - CG_GB1_31 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 435 + CG_GB1_31 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 427 + CG_GB1_31 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 434 + CG_GB1_31 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 435 CG_GB1_31 O_GB1_50 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000381e-04 0.004395 0.007862 True md_ensemble 7 260 436 - CG_GB1_31 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 437 - CG_GB1_31 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 441 - CG_GB1_31 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 443 + CG_GB1_31 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 437 + CG_GB1_31 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 441 + CG_GB1_31 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 443 CG_GB1_31 O_GB1_51 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.066759e-04 0.004395 0.007862 True md_ensemble 7 260 444 - CG_GB1_31 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 445 - CG_GB1_31 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 455 + CG_GB1_31 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 445 + CG_GB1_31 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 455 CG_GB1_31 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.025413e-04 0.004395 0.007862 True md_ensemble 7 260 456 - CG_GB1_31 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 457 - CG_GB1_31 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 461 - CG_GB1_31 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 463 + CG_GB1_31 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 457 + CG_GB1_31 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 461 + CG_GB1_31 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 463 CG_GB1_31 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.939947e-04 0.004395 0.007862 True md_ensemble 7 260 464 - CG_GB1_31 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 465 - CG_GB1_31 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 471 + CG_GB1_31 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 465 + CG_GB1_31 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 471 CG_GB1_31 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.419914e-07 0.004395 0.007862 True md_ensemble 7 260 472 - CG_GB1_31 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 473 - CG_GB1_31 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 477 - CG_GB1_31 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 479 + CG_GB1_31 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 473 + CG_GB1_31 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 477 + CG_GB1_31 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 479 CG_GB1_31 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.995194e-05 0.004395 0.007862 True md_ensemble 7 260 480 - CG_GB1_31 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 481 - CG_GB1_31 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 486 - CG_GB1_31 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 487 - CG_GB1_31 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 488 - CG_GB1_31 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 489 - CG_GB1_31 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 490 - CG_GB1_31 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 491 - CD_GB1_31 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 263 - CD_GB1_31 C_GB1_31 1 0.000000e+00 6.277933e-06 ; 3.283319e-01 -6.277933e-06 9.983668e-01 9.895212e-01 0.004395 0.001132 True md_ensemble 4 261 264 - CD_GB1_31 O_GB1_31 1 0.000000e+00 1.694781e-06 ; 2.943887e-01 -1.694781e-06 4.192687e-01 2.600771e-01 0.004395 0.001132 True md_ensemble 5 261 265 - CD_GB1_31 N_GB1_32 1 0.000000e+00 3.677829e-06 ; 3.140226e-01 -3.677829e-06 1.779112e-01 1.783864e-01 0.004395 0.001132 True md_ensemble 5 261 266 - CD_GB1_31 CA_GB1_32 1 0.000000e+00 3.179715e-05 ; 3.758611e-01 -3.179715e-05 1.549662e-01 1.544475e-01 0.004395 0.001132 True md_ensemble 6 261 268 - CD_GB1_31 CG_GB1_32 1 0.000000e+00 1.618224e-05 ; 3.552888e-01 -1.618224e-05 1.281974e-02 6.096684e-02 0.004395 0.007860 True md_ensemble 7 261 270 - CD_GB1_31 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 271 + CG_GB1_31 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 481 + CG_GB1_31 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 486 + CG_GB1_31 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 487 + CG_GB1_31 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 488 + CG_GB1_31 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 489 + CG_GB1_31 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 490 + CG_GB1_31 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 260 491 + CD_GB1_31 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 263 + CD_GB1_31 C_GB1_31 1 0.000000e+00 6.277828e-06 ; 3.283314e-01 -6.277828e-06 9.983668e-01 9.895212e-01 0.004395 0.001132 True md_ensemble 4 261 264 + CD_GB1_31 O_GB1_31 1 0.000000e+00 1.694774e-06 ; 2.943886e-01 -1.694774e-06 4.192687e-01 2.600771e-01 0.004395 0.001132 True md_ensemble 5 261 265 + CD_GB1_31 N_GB1_32 1 0.000000e+00 3.677780e-06 ; 3.140223e-01 -3.677780e-06 1.779112e-01 1.783864e-01 0.004395 0.001132 True md_ensemble 5 261 266 + CD_GB1_31 CA_GB1_32 1 0.000000e+00 3.179702e-05 ; 3.758609e-01 -3.179702e-05 1.549662e-01 1.544475e-01 0.004395 0.001132 True md_ensemble 6 261 268 + CD_GB1_31 CG_GB1_32 1 0.000000e+00 1.618198e-05 ; 3.552884e-01 -1.618198e-05 1.281974e-02 6.096684e-02 0.004395 0.007860 True md_ensemble 7 261 270 + CD_GB1_31 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 271 CD_GB1_31 OE1_GB1_32 1 6.890857e-04 1.263713e-06 ; 3.498613e-01 9.393729e-02 6.989892e-03 4.625088e-03 0.004395 0.007862 True md_ensemble 7 261 272 - CD_GB1_31 NE2_GB1_32 1 0.000000e+00 6.357888e-06 ; 3.286783e-01 -6.357888e-06 5.277870e-03 9.522393e-03 0.004395 0.001132 True md_ensemble 7 261 273 - CD_GB1_31 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 274 + CD_GB1_31 NE2_GB1_32 1 0.000000e+00 6.357852e-06 ; 3.286782e-01 -6.357852e-06 5.277870e-03 9.522393e-03 0.004395 0.001132 True md_ensemble 7 261 273 + CD_GB1_31 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 274 CD_GB1_31 O_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.040718e-02 0.004395 0.007862 True md_ensemble 7 261 275 - CD_GB1_31 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 276 - CD_GB1_31 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 286 - CD_GB1_31 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 287 + CD_GB1_31 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 276 + CD_GB1_31 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 286 + CD_GB1_31 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 287 CD_GB1_31 O_GB1_33 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.089676e-02 0.004395 0.007862 True md_ensemble 7 261 288 - CD_GB1_31 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 289 + CD_GB1_31 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 289 CD_GB1_31 CA_GB1_34 1 8.914783e-03 1.736054e-04 ; 5.186910e-01 1.144454e-01 6.949460e-02 4.754581e-02 0.004395 0.007117 True md_ensemble 7 261 291 CD_GB1_31 CB_GB1_34 1 5.056436e-03 3.328563e-05 ; 4.329144e-01 1.920314e-01 1.927489e-01 5.004800e-02 0.004395 0.012151 True md_ensemble 7 261 292 - CD_GB1_31 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 293 + CD_GB1_31 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 293 CD_GB1_31 O_GB1_34 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.972493e-03 0.004395 0.007862 True md_ensemble 7 261 294 - CD_GB1_31 N_GB1_35 1 0.000000e+00 3.669098e-06 ; 3.139605e-01 -3.669098e-06 4.524802e-03 2.625083e-03 0.004395 0.001132 True md_ensemble 7 261 295 + CD_GB1_31 N_GB1_35 1 0.000000e+00 3.669050e-06 ; 3.139601e-01 -3.669050e-06 4.524802e-03 2.625083e-03 0.004395 0.001132 True md_ensemble 7 261 295 CD_GB1_31 CA_GB1_35 1 1.404646e-02 2.773355e-04 ; 5.198839e-01 1.778560e-01 4.929488e-02 9.866745e-03 0.004395 0.007117 True md_ensemble 7 261 297 CD_GB1_31 CB_GB1_35 1 8.442041e-03 8.633828e-05 ; 4.658999e-01 2.063629e-01 7.618277e-02 9.692140e-03 0.004395 0.007860 True md_ensemble 7 261 298 CD_GB1_31 CG_GB1_35 1 2.304503e-03 8.173721e-06 ; 3.905174e-01 1.624332e-01 2.215301e-01 9.507679e-03 0.004395 0.001132 True md_ensemble 7 261 299 CD_GB1_31 OD1_GB1_35 1 1.159014e-03 1.315966e-06 ; 3.229927e-01 2.551954e-01 1.790394e-01 8.841332e-03 0.004395 0.007862 True md_ensemble 7 261 300 CD_GB1_31 ND2_GB1_35 1 1.497638e-03 3.173613e-06 ; 3.583916e-01 1.766850e-01 4.014555e-01 1.307096e-02 0.004395 0.001132 True md_ensemble 7 261 301 - CD_GB1_31 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 302 + CD_GB1_31 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 302 CD_GB1_31 O_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.203798e-03 0.004395 0.007862 True md_ensemble 7 261 303 - CD_GB1_31 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 304 - CD_GB1_31 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 308 - CD_GB1_31 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 309 - CD_GB1_31 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 310 - CD_GB1_31 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 311 + CD_GB1_31 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 304 + CD_GB1_31 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 308 + CD_GB1_31 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 309 + CD_GB1_31 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 310 + CD_GB1_31 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 311 CD_GB1_31 O_GB1_36 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.147099e-03 0.004395 0.007862 True md_ensemble 7 261 312 - CD_GB1_31 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 313 - CD_GB1_31 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 317 + CD_GB1_31 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 313 + CD_GB1_31 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 317 CD_GB1_31 OD1_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.419817e-03 0.004395 0.007862 True md_ensemble 7 261 318 - CD_GB1_31 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 319 - CD_GB1_31 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 320 + CD_GB1_31 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 319 + CD_GB1_31 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 320 CD_GB1_31 O_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.167606e-03 0.004395 0.007862 True md_ensemble 7 261 321 - CD_GB1_31 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 322 - CD_GB1_31 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 325 + CD_GB1_31 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 322 + CD_GB1_31 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 325 CD_GB1_31 O_GB1_38 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.162829e-03 0.004395 0.007862 True md_ensemble 7 261 326 - CD_GB1_31 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 327 - CD_GB1_31 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 333 + CD_GB1_31 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 327 + CD_GB1_31 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 333 CD_GB1_31 O_GB1_39 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 2.408500e-05 8.460127e-04 0.004395 0.007862 True md_ensemble 7 261 334 - CD_GB1_31 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 335 - CD_GB1_31 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 339 - CD_GB1_31 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 340 - CD_GB1_31 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 341 - CD_GB1_31 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 342 + CD_GB1_31 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 335 + CD_GB1_31 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 339 + CD_GB1_31 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 340 + CD_GB1_31 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 341 + CD_GB1_31 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 342 CD_GB1_31 O_GB1_40 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 5.823000e-04 1.147255e-03 0.004395 0.007862 True md_ensemble 7 261 343 - CD_GB1_31 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 344 - CD_GB1_31 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 347 + CD_GB1_31 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 344 + CD_GB1_31 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 347 CD_GB1_31 O_GB1_41 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.318149e-03 0.004395 0.007862 True md_ensemble 7 261 348 - CD_GB1_31 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 349 - CD_GB1_31 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 354 - CD_GB1_31 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 355 - CD_GB1_31 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 356 - CD_GB1_31 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 357 + CD_GB1_31 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 349 + CD_GB1_31 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 354 + CD_GB1_31 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 355 + CD_GB1_31 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 356 + CD_GB1_31 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 357 CD_GB1_31 O_GB1_42 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.352565e-04 0.004395 0.007862 True md_ensemble 7 261 358 - CD_GB1_31 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 359 + CD_GB1_31 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 359 CD_GB1_31 CB_GB1_43 1 8.030019e-03 1.163863e-04 ; 4.937771e-01 1.385068e-01 1.658272e-02 2.458352e-03 0.004395 0.007860 True md_ensemble 7 261 362 CD_GB1_31 CG_GB1_43 1 7.697508e-03 5.828544e-05 ; 4.431339e-01 2.541442e-01 1.559870e-01 1.885400e-03 0.004395 0.012152 True md_ensemble 7 261 363 CD_GB1_31 CD1_GB1_43 1 7.266247e-03 4.803299e-05 ; 4.332164e-01 2.748025e-01 2.328033e-01 3.071360e-03 0.004395 0.012152 True md_ensemble 7 261 364 @@ -34834,126 +34834,126 @@ CE2_GB1_30 CZ_GB1_52 1 5.395557e-03 2.818291e-05 ; 4.165415e-01 2.582420e- CD_GB1_31 CZ2_GB1_43 1 1.954400e-03 2.821123e-06 ; 3.361771e-01 3.384893e-01 8.000250e-01 5.456971e-03 0.004395 0.012152 True md_ensemble 7 261 369 CD_GB1_31 CZ3_GB1_43 1 6.283686e-03 3.277856e-05 ; 4.164497e-01 3.011474e-01 3.879357e-01 5.014413e-03 0.004395 0.012152 True md_ensemble 7 261 370 CD_GB1_31 CH2_GB1_43 1 3.607587e-03 9.754746e-06 ; 3.732500e-01 3.335475e-01 7.269479e-01 6.192115e-03 0.004395 0.012152 True md_ensemble 7 261 371 - CD_GB1_31 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 372 + CD_GB1_31 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 372 CD_GB1_31 O_GB1_43 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.365204e-04 0.004395 0.007862 True md_ensemble 7 261 373 - CD_GB1_31 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 374 - CD_GB1_31 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 378 - CD_GB1_31 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 380 + CD_GB1_31 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 374 + CD_GB1_31 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 378 + CD_GB1_31 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 380 CD_GB1_31 O_GB1_44 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.071454e-04 0.004395 0.007862 True md_ensemble 7 261 381 - CD_GB1_31 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 382 - CD_GB1_31 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 392 - CD_GB1_31 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 393 + CD_GB1_31 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 382 + CD_GB1_31 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 392 + CD_GB1_31 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 393 CD_GB1_31 O_GB1_45 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.547606e-04 0.004395 0.007862 True md_ensemble 7 261 394 - CD_GB1_31 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 395 - CD_GB1_31 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 399 - CD_GB1_31 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 400 - CD_GB1_31 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 401 - CD_GB1_31 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 402 + CD_GB1_31 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 395 + CD_GB1_31 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 399 + CD_GB1_31 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 400 + CD_GB1_31 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 401 + CD_GB1_31 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 402 CD_GB1_31 O_GB1_46 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.311267e-04 0.004395 0.007862 True md_ensemble 7 261 403 - CD_GB1_31 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 404 - CD_GB1_31 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 408 - CD_GB1_31 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 409 - CD_GB1_31 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 410 - CD_GB1_31 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 411 + CD_GB1_31 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 404 + CD_GB1_31 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 408 + CD_GB1_31 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 409 + CD_GB1_31 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 410 + CD_GB1_31 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 411 CD_GB1_31 O_GB1_47 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.995024e-05 0.004395 0.007862 True md_ensemble 7 261 412 - CD_GB1_31 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 413 - CD_GB1_31 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 417 + CD_GB1_31 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 413 + CD_GB1_31 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 417 CD_GB1_31 O_GB1_48 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.732111e-06 0.004395 0.007862 True md_ensemble 7 261 418 - CD_GB1_31 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 419 - CD_GB1_31 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 423 - CD_GB1_31 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 425 + CD_GB1_31 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 419 + CD_GB1_31 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 423 + CD_GB1_31 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 425 CD_GB1_31 O_GB1_49 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.146084e-04 0.004395 0.007862 True md_ensemble 7 261 426 - CD_GB1_31 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 427 - CD_GB1_31 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 434 - CD_GB1_31 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 435 + CD_GB1_31 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 427 + CD_GB1_31 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 434 + CD_GB1_31 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 435 CD_GB1_31 O_GB1_50 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.999833e-05 0.004395 0.007862 True md_ensemble 7 261 436 - CD_GB1_31 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 437 - CD_GB1_31 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 441 - CD_GB1_31 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 443 + CD_GB1_31 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 437 + CD_GB1_31 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 441 + CD_GB1_31 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 443 CD_GB1_31 O_GB1_51 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.603172e-04 0.004395 0.007862 True md_ensemble 7 261 444 - CD_GB1_31 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 445 - CD_GB1_31 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 455 + CD_GB1_31 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 445 + CD_GB1_31 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 455 CD_GB1_31 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.645057e-04 0.004395 0.007862 True md_ensemble 7 261 456 - CD_GB1_31 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 457 - CD_GB1_31 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 461 - CD_GB1_31 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 463 + CD_GB1_31 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 457 + CD_GB1_31 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 461 + CD_GB1_31 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 463 CD_GB1_31 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.000428e-04 0.004395 0.007862 True md_ensemble 7 261 464 - CD_GB1_31 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 465 - CD_GB1_31 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 471 + CD_GB1_31 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 465 + CD_GB1_31 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 471 CD_GB1_31 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.311528e-05 0.004395 0.007862 True md_ensemble 7 261 472 - CD_GB1_31 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 473 - CD_GB1_31 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 477 - CD_GB1_31 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 479 + CD_GB1_31 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 473 + CD_GB1_31 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 477 + CD_GB1_31 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 479 CD_GB1_31 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.643000e-04 0.004395 0.007862 True md_ensemble 7 261 480 - CD_GB1_31 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 481 - CD_GB1_31 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 486 - CD_GB1_31 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 487 - CD_GB1_31 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 488 - CD_GB1_31 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 489 - CD_GB1_31 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 490 - CD_GB1_31 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 491 - CE_GB1_31 NZ_GB1_31 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 263 - CE_GB1_31 C_GB1_31 1 0.000000e+00 6.490334e-06 ; 3.292435e-01 -6.490334e-06 2.633789e-01 2.880670e-01 0.004395 0.001132 True md_ensemble 5 262 264 - CE_GB1_31 O_GB1_31 1 0.000000e+00 1.933470e-06 ; 2.976390e-01 -1.933470e-06 9.820922e-02 5.743543e-02 0.004395 0.001132 True md_ensemble 6 262 265 - CE_GB1_31 N_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 266 - CE_GB1_31 CA_GB1_32 1 0.000000e+00 3.293871e-05 ; 3.769675e-01 -3.293871e-05 8.966062e-03 4.433014e-02 0.004395 0.007117 True md_ensemble 7 262 268 - CE_GB1_31 CG_GB1_32 1 0.000000e+00 1.596701e-05 ; 3.548926e-01 -1.596701e-05 8.660150e-03 4.286687e-02 0.004395 0.007860 True md_ensemble 7 262 270 - CE_GB1_31 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 271 + CD_GB1_31 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 481 + CD_GB1_31 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 486 + CD_GB1_31 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 487 + CD_GB1_31 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 488 + CD_GB1_31 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 489 + CD_GB1_31 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 490 + CD_GB1_31 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 261 491 + CE_GB1_31 NZ_GB1_31 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 263 + CE_GB1_31 C_GB1_31 1 0.000000e+00 6.490226e-06 ; 3.292431e-01 -6.490226e-06 2.633789e-01 2.880670e-01 0.004395 0.001132 True md_ensemble 5 262 264 + CE_GB1_31 O_GB1_31 1 0.000000e+00 1.933463e-06 ; 2.976389e-01 -1.933463e-06 9.820922e-02 5.743543e-02 0.004395 0.001132 True md_ensemble 6 262 265 + CE_GB1_31 N_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 266 + CE_GB1_31 CA_GB1_32 1 0.000000e+00 3.293857e-05 ; 3.769673e-01 -3.293857e-05 8.966062e-03 4.433014e-02 0.004395 0.007117 True md_ensemble 7 262 268 + CE_GB1_31 CG_GB1_32 1 0.000000e+00 1.596676e-05 ; 3.548922e-01 -1.596676e-05 8.660150e-03 4.286687e-02 0.004395 0.007860 True md_ensemble 7 262 270 + CE_GB1_31 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 271 CE_GB1_31 OE1_GB1_32 1 2.712626e-04 2.604259e-07 ; 3.140863e-01 7.063755e-02 4.449732e-03 5.646655e-03 0.004395 0.007862 True md_ensemble 7 262 272 - CE_GB1_31 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 273 - CE_GB1_31 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 274 + CE_GB1_31 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 273 + CE_GB1_31 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 274 CE_GB1_31 O_GB1_32 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 8.069022e-03 0.004395 0.007862 True md_ensemble 7 262 275 - CE_GB1_31 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 276 - CE_GB1_31 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 286 - CE_GB1_31 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 287 + CE_GB1_31 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 276 + CE_GB1_31 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 286 + CE_GB1_31 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 287 CE_GB1_31 O_GB1_33 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.159623e-02 0.004395 0.007862 True md_ensemble 7 262 288 - CE_GB1_31 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 289 + CE_GB1_31 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 289 CE_GB1_31 CB_GB1_34 1 4.681966e-03 4.491767e-05 ; 4.609617e-01 1.220055e-01 3.494199e-02 3.525488e-02 0.004395 0.012151 True md_ensemble 7 262 292 - CE_GB1_31 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 293 + CE_GB1_31 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 293 CE_GB1_31 O_GB1_34 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.752252e-03 0.004395 0.007862 True md_ensemble 7 262 294 - CE_GB1_31 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 295 + CE_GB1_31 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 295 CE_GB1_31 CA_GB1_35 1 1.044451e-02 1.944578e-04 ; 5.148210e-01 1.402461e-01 2.447288e-02 1.015446e-02 0.004395 0.007117 True md_ensemble 7 262 297 CE_GB1_31 CB_GB1_35 1 6.389610e-03 5.645921e-05 ; 4.546844e-01 1.807815e-01 4.884790e-02 1.020357e-02 0.004395 0.007860 True md_ensemble 7 262 298 CE_GB1_31 CG_GB1_35 1 1.903899e-03 6.185625e-06 ; 3.848486e-01 1.465022e-01 1.597414e-01 9.336110e-03 0.004395 0.001132 True md_ensemble 7 262 299 CE_GB1_31 OD1_GB1_35 1 8.752604e-04 7.876794e-07 ; 3.107196e-01 2.431449e-01 1.446266e-01 9.021075e-03 0.004395 0.007862 True md_ensemble 7 262 300 CE_GB1_31 ND2_GB1_35 1 1.351348e-03 2.972460e-06 ; 3.606269e-01 1.535885e-01 2.452817e-01 1.249571e-02 0.004395 0.001132 True md_ensemble 7 262 301 - CE_GB1_31 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 302 + CE_GB1_31 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 302 CE_GB1_31 O_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.952258e-03 0.004395 0.007862 True md_ensemble 7 262 303 - CE_GB1_31 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 304 - CE_GB1_31 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 308 - CE_GB1_31 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 309 - CE_GB1_31 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 310 - CE_GB1_31 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 311 + CE_GB1_31 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 304 + CE_GB1_31 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 308 + CE_GB1_31 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 309 + CE_GB1_31 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 310 + CE_GB1_31 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 311 CE_GB1_31 O_GB1_36 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.543856e-03 0.004395 0.007862 True md_ensemble 7 262 312 - CE_GB1_31 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 313 - CE_GB1_31 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 317 + CE_GB1_31 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 313 + CE_GB1_31 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 317 CE_GB1_31 OD1_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.376433e-03 0.004395 0.007862 True md_ensemble 7 262 318 - CE_GB1_31 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 319 - CE_GB1_31 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 320 + CE_GB1_31 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 319 + CE_GB1_31 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 320 CE_GB1_31 O_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.693208e-03 0.004395 0.007862 True md_ensemble 7 262 321 - CE_GB1_31 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 322 - CE_GB1_31 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 325 + CE_GB1_31 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 322 + CE_GB1_31 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 325 CE_GB1_31 O_GB1_38 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.566739e-03 0.004395 0.007862 True md_ensemble 7 262 326 - CE_GB1_31 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 327 - CE_GB1_31 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 333 + CE_GB1_31 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 327 + CE_GB1_31 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 333 CE_GB1_31 O_GB1_39 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 2.769750e-04 1.146942e-03 0.004395 0.007862 True md_ensemble 7 262 334 - CE_GB1_31 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 335 + CE_GB1_31 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 335 CE_GB1_31 CA_GB1_40 1 5.601578e-03 5.839214e-05 ; 4.673842e-01 1.343403e-01 1.529615e-02 3.869684e-03 0.004395 0.007117 True md_ensemble 7 262 337 - CE_GB1_31 CG_GB1_40 1 0.000000e+00 6.313923e-06 ; 3.284883e-01 -6.313923e-06 6.001225e-03 2.837643e-03 0.004395 0.001132 True md_ensemble 7 262 339 - CE_GB1_31 OD1_GB1_40 1 0.000000e+00 1.625225e-06 ; 2.933624e-01 -1.625225e-06 6.102547e-03 2.163373e-03 0.004395 0.001132 True md_ensemble 7 262 340 - CE_GB1_31 OD2_GB1_40 1 0.000000e+00 1.625225e-06 ; 2.933624e-01 -1.625225e-06 6.102547e-03 2.163373e-03 0.004395 0.001132 True md_ensemble 7 262 341 - CE_GB1_31 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 342 + CE_GB1_31 CG_GB1_40 1 0.000000e+00 6.313817e-06 ; 3.284879e-01 -6.313817e-06 6.001225e-03 2.837643e-03 0.004395 0.001132 True md_ensemble 7 262 339 + CE_GB1_31 OD1_GB1_40 1 0.000000e+00 1.625219e-06 ; 2.933623e-01 -1.625219e-06 6.102547e-03 2.163373e-03 0.004395 0.001132 True md_ensemble 7 262 340 + CE_GB1_31 OD2_GB1_40 1 0.000000e+00 1.625219e-06 ; 2.933623e-01 -1.625219e-06 6.102547e-03 2.163373e-03 0.004395 0.001132 True md_ensemble 7 262 341 + CE_GB1_31 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 342 CE_GB1_31 O_GB1_40 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 3.002817e-03 1.344656e-03 0.004395 0.007862 True md_ensemble 7 262 343 - CE_GB1_31 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 344 - CE_GB1_31 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 347 + CE_GB1_31 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 344 + CE_GB1_31 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 347 CE_GB1_31 O_GB1_41 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.444221e-03 0.004395 0.007862 True md_ensemble 7 262 348 - CE_GB1_31 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 349 - CE_GB1_31 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 354 - CE_GB1_31 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 355 - CE_GB1_31 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 356 - CE_GB1_31 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 357 + CE_GB1_31 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 349 + CE_GB1_31 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 354 + CE_GB1_31 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 355 + CE_GB1_31 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 356 + CE_GB1_31 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 357 CE_GB1_31 O_GB1_42 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.999691e-04 0.004395 0.007862 True md_ensemble 7 262 358 - CE_GB1_31 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 359 + CE_GB1_31 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 359 CE_GB1_31 CA_GB1_43 1 1.500482e-02 3.144592e-04 ; 5.250761e-01 1.789935e-01 3.634725e-02 2.574069e-03 0.004395 0.007117 True md_ensemble 7 262 361 CE_GB1_31 CB_GB1_43 1 6.672712e-03 3.921070e-05 ; 4.247992e-01 2.838835e-01 2.776085e-01 2.528688e-03 0.004395 0.007860 True md_ensemble 7 262 362 CE_GB1_31 CG_GB1_43 1 2.492370e-03 5.167867e-06 ; 3.570945e-01 3.005064e-01 3.831456e-01 1.642427e-03 0.004395 0.012152 True md_ensemble 7 262 363 @@ -34965,101 +34965,101 @@ CE2_GB1_30 CZ_GB1_52 1 5.395557e-03 2.818291e-05 ; 4.165415e-01 2.582420e- CE_GB1_31 CZ2_GB1_43 1 1.986805e-03 3.003135e-06 ; 3.387687e-01 3.286062e-01 6.605525e-01 4.802846e-03 0.004395 0.012152 True md_ensemble 7 262 369 CE_GB1_31 CZ3_GB1_43 1 3.561305e-03 1.033463e-05 ; 3.776716e-01 3.068057e-01 4.329040e-01 4.291854e-03 0.004395 0.012152 True md_ensemble 7 262 370 CE_GB1_31 CH2_GB1_43 1 2.896827e-03 6.639439e-06 ; 3.631072e-01 3.159757e-01 5.171118e-01 5.790500e-03 0.004395 0.012152 True md_ensemble 7 262 371 - CE_GB1_31 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 372 + CE_GB1_31 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 372 CE_GB1_31 O_GB1_43 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.074796e-03 0.004395 0.007862 True md_ensemble 7 262 373 - CE_GB1_31 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 374 - CE_GB1_31 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 378 - CE_GB1_31 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 380 + CE_GB1_31 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 374 + CE_GB1_31 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 378 + CE_GB1_31 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 380 CE_GB1_31 O_GB1_44 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.381768e-04 0.004395 0.007862 True md_ensemble 7 262 381 - CE_GB1_31 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 382 - CE_GB1_31 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 392 - CE_GB1_31 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 393 + CE_GB1_31 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 382 + CE_GB1_31 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 392 + CE_GB1_31 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 393 CE_GB1_31 O_GB1_45 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.789994e-04 0.004395 0.007862 True md_ensemble 7 262 394 - CE_GB1_31 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 395 - CE_GB1_31 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 399 - CE_GB1_31 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 400 - CE_GB1_31 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 401 - CE_GB1_31 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 402 + CE_GB1_31 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 395 + CE_GB1_31 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 399 + CE_GB1_31 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 400 + CE_GB1_31 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 401 + CE_GB1_31 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 402 CE_GB1_31 O_GB1_46 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.258384e-04 0.004395 0.007862 True md_ensemble 7 262 403 - CE_GB1_31 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 404 - CE_GB1_31 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 408 - CE_GB1_31 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 409 - CE_GB1_31 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 410 - CE_GB1_31 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 411 + CE_GB1_31 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 404 + CE_GB1_31 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 408 + CE_GB1_31 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 409 + CE_GB1_31 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 410 + CE_GB1_31 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 411 CE_GB1_31 O_GB1_47 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.727738e-05 0.004395 0.007862 True md_ensemble 7 262 412 - CE_GB1_31 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 413 - CE_GB1_31 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 417 + CE_GB1_31 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 413 + CE_GB1_31 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 417 CE_GB1_31 O_GB1_48 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.859408e-04 0.004395 0.007862 True md_ensemble 7 262 418 - CE_GB1_31 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 419 - CE_GB1_31 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 423 - CE_GB1_31 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 425 + CE_GB1_31 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 419 + CE_GB1_31 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 423 + CE_GB1_31 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 425 CE_GB1_31 O_GB1_49 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.985635e-04 0.004395 0.007862 True md_ensemble 7 262 426 - CE_GB1_31 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 427 - CE_GB1_31 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 434 - CE_GB1_31 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 435 + CE_GB1_31 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 427 + CE_GB1_31 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 434 + CE_GB1_31 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 435 CE_GB1_31 O_GB1_50 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.280852e-04 0.004395 0.007862 True md_ensemble 7 262 436 - CE_GB1_31 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 437 - CE_GB1_31 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 441 - CE_GB1_31 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 443 + CE_GB1_31 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 437 + CE_GB1_31 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 441 + CE_GB1_31 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 443 CE_GB1_31 O_GB1_51 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.492622e-04 0.004395 0.007862 True md_ensemble 7 262 444 - CE_GB1_31 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 445 - CE_GB1_31 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 455 + CE_GB1_31 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 445 + CE_GB1_31 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 455 CE_GB1_31 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.742545e-04 0.004395 0.007862 True md_ensemble 7 262 456 - CE_GB1_31 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 457 - CE_GB1_31 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 461 - CE_GB1_31 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 463 + CE_GB1_31 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 457 + CE_GB1_31 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 461 + CE_GB1_31 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 463 CE_GB1_31 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.595019e-04 0.004395 0.007862 True md_ensemble 7 262 464 - CE_GB1_31 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 465 - CE_GB1_31 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 471 + CE_GB1_31 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 465 + CE_GB1_31 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 471 CE_GB1_31 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.995083e-05 0.004395 0.007862 True md_ensemble 7 262 472 - CE_GB1_31 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 473 - CE_GB1_31 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 477 - CE_GB1_31 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 479 + CE_GB1_31 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 473 + CE_GB1_31 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 477 + CE_GB1_31 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 479 CE_GB1_31 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.937795e-04 0.004395 0.007862 True md_ensemble 7 262 480 - CE_GB1_31 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 481 - CE_GB1_31 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 486 - CE_GB1_31 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 487 - CE_GB1_31 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 488 - CE_GB1_31 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 489 - CE_GB1_31 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 490 - CE_GB1_31 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 491 + CE_GB1_31 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 481 + CE_GB1_31 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 486 + CE_GB1_31 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 487 + CE_GB1_31 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 488 + CE_GB1_31 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 489 + CE_GB1_31 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 490 + CE_GB1_31 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 262 491 NZ_GB1_31 NZ_GB1_31 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 263 NZ_GB1_31 C_GB1_31 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 2.002347e-03 1.608174e-02 0.004395 0.001132 True md_ensemble 6 263 264 NZ_GB1_31 N_GB1_32 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 5.952000e-05 3.159210e-03 0.004395 0.001132 True md_ensemble 7 263 266 - NZ_GB1_31 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 269 - NZ_GB1_31 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 270 + NZ_GB1_31 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 269 + NZ_GB1_31 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 270 NZ_GB1_31 N_GB1_33 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.169782e-03 0.004395 0.001132 True md_ensemble 7 263 276 - NZ_GB1_31 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 279 + NZ_GB1_31 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 279 NZ_GB1_31 N_GB1_34 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.656662e-03 0.004395 0.001132 True md_ensemble 7 263 289 - NZ_GB1_31 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 292 + NZ_GB1_31 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 292 NZ_GB1_31 N_GB1_35 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.215750e-05 5.956640e-04 0.004395 0.001132 True md_ensemble 7 263 295 NZ_GB1_31 CA_GB1_35 1 3.030651e-03 2.999626e-05 ; 4.633636e-01 7.654992e-02 4.990040e-03 4.368961e-03 0.004395 0.008482 True md_ensemble 7 263 297 - NZ_GB1_31 CB_GB1_35 1 0.000000e+00 3.644530e-06 ; 3.137847e-01 -3.644530e-06 1.351565e-02 4.932730e-03 0.004395 0.001132 True md_ensemble 7 263 298 + NZ_GB1_31 CB_GB1_35 1 0.000000e+00 3.644482e-06 ; 3.137844e-01 -3.644482e-06 1.351565e-02 4.932730e-03 0.004395 0.001132 True md_ensemble 7 263 298 NZ_GB1_31 CG_GB1_35 1 1.016949e-03 1.344650e-06 ; 3.312976e-01 1.922780e-01 4.702187e-02 4.735857e-03 0.004395 0.011584 True md_ensemble 7 263 299 NZ_GB1_31 OD1_GB1_35 1 1.933288e-04 4.326197e-08 ; 2.463967e-01 2.159865e-01 7.445225e-02 5.003011e-03 0.004395 0.011584 True md_ensemble 7 263 300 NZ_GB1_31 ND2_GB1_35 1 1.238474e-03 1.819114e-06 ; 3.371544e-01 2.107920e-01 6.732103e-02 6.059965e-03 0.004395 0.011584 True md_ensemble 7 263 301 NZ_GB1_31 N_GB1_36 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 4.681765e-04 0.004395 0.001132 True md_ensemble 7 263 304 - NZ_GB1_31 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 307 + NZ_GB1_31 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 307 NZ_GB1_31 N_GB1_37 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 4.945654e-04 0.004395 0.001132 True md_ensemble 7 263 313 - NZ_GB1_31 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 316 + NZ_GB1_31 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 316 NZ_GB1_31 N_GB1_38 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 9.598834e-04 0.004395 0.001132 True md_ensemble 7 263 322 - NZ_GB1_31 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 324 + NZ_GB1_31 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 324 NZ_GB1_31 N_GB1_39 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 5.258019e-04 0.004395 0.001132 True md_ensemble 7 263 327 - NZ_GB1_31 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 330 - NZ_GB1_31 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 331 - NZ_GB1_31 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 332 + NZ_GB1_31 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 330 + NZ_GB1_31 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 331 + NZ_GB1_31 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 332 NZ_GB1_31 N_GB1_40 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 2.464720e-04 0.004395 0.001132 True md_ensemble 7 263 335 NZ_GB1_31 CA_GB1_40 1 3.820805e-03 2.043619e-05 ; 4.181905e-01 1.785869e-01 3.606194e-02 1.889109e-03 0.004395 0.008482 True md_ensemble 7 263 337 - NZ_GB1_31 CB_GB1_40 1 0.000000e+00 3.655528e-06 ; 3.138635e-01 -3.655528e-06 7.565865e-03 1.974580e-03 0.004395 0.001132 True md_ensemble 7 263 338 + NZ_GB1_31 CB_GB1_40 1 0.000000e+00 3.655480e-06 ; 3.138632e-01 -3.655480e-06 7.565865e-03 1.974580e-03 0.004395 0.001132 True md_ensemble 7 263 338 NZ_GB1_31 CG_GB1_40 1 2.590416e-04 1.686697e-07 ; 2.944046e-01 9.945849e-02 7.779430e-03 1.423900e-03 0.004395 0.011584 True md_ensemble 7 263 339 NZ_GB1_31 OD1_GB1_40 1 8.441868e-05 1.713504e-08 ; 2.424233e-01 1.039757e-01 8.491292e-03 1.002864e-03 0.004395 0.011584 True md_ensemble 7 263 340 NZ_GB1_31 OD2_GB1_40 1 8.441868e-05 1.713504e-08 ; 2.424233e-01 1.039757e-01 8.491292e-03 1.002864e-03 0.004395 0.011584 True md_ensemble 7 263 341 NZ_GB1_31 O_GB1_40 1 3.009800e-04 1.956250e-07 ; 2.943164e-01 1.157686e-01 1.067200e-02 1.081940e-03 0.004395 0.011584 True md_ensemble 7 263 343 NZ_GB1_31 N_GB1_41 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 3.862120e-04 0.004395 0.001132 True md_ensemble 7 263 344 - NZ_GB1_31 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 346 + NZ_GB1_31 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 346 NZ_GB1_31 N_GB1_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 3.515371e-04 0.004395 0.001132 True md_ensemble 7 263 349 - NZ_GB1_31 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 352 - NZ_GB1_31 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 353 + NZ_GB1_31 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 352 + NZ_GB1_31 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 353 NZ_GB1_31 N_GB1_43 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.112642e-04 0.004395 0.001132 True md_ensemble 7 263 359 NZ_GB1_31 CB_GB1_43 1 4.229097e-03 1.933022e-05 ; 4.073786e-01 2.313121e-01 1.107045e-01 1.250217e-03 0.004395 0.001132 True md_ensemble 7 263 362 NZ_GB1_31 CG_GB1_43 1 1.268704e-03 1.534991e-06 ; 3.264306e-01 2.621531e-01 1.821825e-01 8.700665e-04 0.004395 0.015244 True md_ensemble 7 263 363 @@ -35072,52 +35072,52 @@ CE2_GB1_30 CZ_GB1_52 1 5.395557e-03 2.818291e-05 ; 4.165415e-01 2.582420e- NZ_GB1_31 CZ3_GB1_43 1 2.114699e-03 6.432564e-06 ; 3.806472e-01 1.738012e-01 3.286724e-02 2.692657e-03 0.004395 0.015244 True md_ensemble 7 263 370 NZ_GB1_31 CH2_GB1_43 1 2.256822e-03 6.224030e-06 ; 3.744804e-01 2.045799e-01 5.968396e-02 3.517512e-03 0.004395 0.015244 True md_ensemble 7 263 371 NZ_GB1_31 N_GB1_44 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 4.770177e-04 0.004395 0.001132 True md_ensemble 7 263 374 - NZ_GB1_31 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 377 - NZ_GB1_31 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 379 + NZ_GB1_31 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 377 + NZ_GB1_31 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 379 NZ_GB1_31 N_GB1_45 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 2.217143e-04 0.004395 0.001132 True md_ensemble 7 263 382 - NZ_GB1_31 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 385 + NZ_GB1_31 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 385 NZ_GB1_31 N_GB1_46 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.226979e-04 0.004395 0.001132 True md_ensemble 7 263 395 - NZ_GB1_31 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 398 + NZ_GB1_31 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 398 NZ_GB1_31 N_GB1_47 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.935812e-04 0.004395 0.001132 True md_ensemble 7 263 404 - NZ_GB1_31 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 407 + NZ_GB1_31 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 407 NZ_GB1_31 N_GB1_48 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 2.349932e-04 0.004395 0.001132 True md_ensemble 7 263 413 - NZ_GB1_31 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 416 + NZ_GB1_31 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 416 NZ_GB1_31 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 263 419 - NZ_GB1_31 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 422 - NZ_GB1_31 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 424 + NZ_GB1_31 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 422 + NZ_GB1_31 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 424 NZ_GB1_31 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 263 427 - NZ_GB1_31 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 430 - NZ_GB1_31 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 431 - NZ_GB1_31 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 432 - NZ_GB1_31 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 433 + NZ_GB1_31 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 430 + NZ_GB1_31 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 431 + NZ_GB1_31 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 432 + NZ_GB1_31 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 433 NZ_GB1_31 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 434 NZ_GB1_31 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 9.547611e-05 0.004395 0.001132 True md_ensemble 7 263 437 - NZ_GB1_31 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 440 - NZ_GB1_31 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 442 + NZ_GB1_31 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 440 + NZ_GB1_31 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 442 NZ_GB1_31 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 2.675061e-05 0.004395 0.001132 True md_ensemble 7 263 445 - NZ_GB1_31 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 448 + NZ_GB1_31 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 448 NZ_GB1_31 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 9.993574e-05 0.004395 0.001132 True md_ensemble 7 263 457 - NZ_GB1_31 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 460 - NZ_GB1_31 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 462 + NZ_GB1_31 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 460 + NZ_GB1_31 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 462 NZ_GB1_31 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 263 465 - NZ_GB1_31 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 468 - NZ_GB1_31 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 469 - NZ_GB1_31 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 470 + NZ_GB1_31 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 468 + NZ_GB1_31 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 469 + NZ_GB1_31 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 470 NZ_GB1_31 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 263 473 - NZ_GB1_31 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 476 - NZ_GB1_31 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 478 + NZ_GB1_31 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 476 + NZ_GB1_31 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 478 NZ_GB1_31 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 263 481 - NZ_GB1_31 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 484 - NZ_GB1_31 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 485 - C_GB1_31 CB_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 269 - C_GB1_31 CG_GB1_32 1 0.000000e+00 6.332574e-06 ; 3.285691e-01 -6.332574e-06 9.995939e-01 9.993749e-01 0.004395 0.001132 True md_ensemble 4 264 270 - C_GB1_31 CD_GB1_32 1 0.000000e+00 2.661704e-06 ; 3.056739e-01 -2.661704e-06 7.663997e-02 1.009355e-01 0.004395 0.001132 True md_ensemble 5 264 271 - C_GB1_31 OE1_GB1_32 1 0.000000e+00 8.101824e-07 ; 2.768281e-01 -8.101824e-07 3.619654e-02 1.592862e-02 0.004395 0.001132 True md_ensemble 6 264 272 - C_GB1_31 NE2_GB1_32 1 0.000000e+00 2.614308e-06 ; 3.052165e-01 -2.614308e-06 2.433302e-02 3.085732e-02 0.004395 0.001132 True md_ensemble 6 264 273 - C_GB1_31 O_GB1_32 1 0.000000e+00 6.902470e-07 ; 2.731568e-01 -6.902470e-07 9.966678e-01 8.313651e-01 0.004395 0.001132 True md_ensemble 4 264 275 - C_GB1_31 N_GB1_33 1 0.000000e+00 1.477615e-06 ; 2.910439e-01 -1.477615e-06 1.000000e+00 9.797543e-01 0.004395 0.001132 True md_ensemble 4 264 276 - C_GB1_31 CA_GB1_33 1 0.000000e+00 1.165085e-05 ; 3.456937e-01 -1.165085e-05 9.999992e-01 8.926571e-01 0.004395 0.001132 True md_ensemble 5 264 278 - C_GB1_31 CB_GB1_33 1 0.000000e+00 4.030390e-06 ; 3.164273e-01 -4.030390e-06 6.274743e-01 2.637886e-01 0.004395 0.001132 True md_ensemble 6 264 279 + NZ_GB1_31 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 484 + NZ_GB1_31 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 263 485 + C_GB1_31 CB_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 269 + C_GB1_31 CG_GB1_32 1 0.000000e+00 6.332468e-06 ; 3.285686e-01 -6.332468e-06 9.995939e-01 9.993749e-01 0.004395 0.001132 True md_ensemble 4 264 270 + C_GB1_31 CD_GB1_32 1 0.000000e+00 2.661656e-06 ; 3.056734e-01 -2.661656e-06 7.663997e-02 1.009355e-01 0.004395 0.001132 True md_ensemble 5 264 271 + C_GB1_31 OE1_GB1_32 1 0.000000e+00 8.101787e-07 ; 2.768280e-01 -8.101787e-07 3.619654e-02 1.592862e-02 0.004395 0.001132 True md_ensemble 6 264 272 + C_GB1_31 NE2_GB1_32 1 0.000000e+00 2.614291e-06 ; 3.052164e-01 -2.614291e-06 2.433302e-02 3.085732e-02 0.004395 0.001132 True md_ensemble 6 264 273 + C_GB1_31 O_GB1_32 1 0.000000e+00 6.902438e-07 ; 2.731567e-01 -6.902438e-07 9.966678e-01 8.313651e-01 0.004395 0.001132 True md_ensemble 4 264 275 + C_GB1_31 N_GB1_33 1 0.000000e+00 1.477594e-06 ; 2.910435e-01 -1.477594e-06 1.000000e+00 9.797543e-01 0.004395 0.001132 True md_ensemble 4 264 276 + C_GB1_31 CA_GB1_33 1 0.000000e+00 1.165079e-05 ; 3.456936e-01 -1.165079e-05 9.999992e-01 8.926571e-01 0.004395 0.001132 True md_ensemble 5 264 278 + C_GB1_31 CB_GB1_33 1 0.000000e+00 4.030322e-06 ; 3.164268e-01 -4.030322e-06 6.274743e-01 2.637886e-01 0.004395 0.001132 True md_ensemble 6 264 279 C_GB1_31 C_GB1_33 1 1.347076e-03 5.928675e-06 ; 4.048190e-01 7.651852e-02 9.672207e-01 2.194798e-01 0.004395 0.001132 True md_ensemble 6 264 287 C_GB1_31 N_GB1_34 1 1.174170e-03 1.678750e-06 ; 3.356416e-01 2.053128e-01 9.990115e-01 1.911603e-01 0.004395 0.011584 True md_ensemble 7 264 289 C_GB1_31 CA_GB1_34 1 3.091135e-03 1.279643e-05 ; 4.007084e-01 1.866754e-01 9.992320e-01 2.009319e-01 0.004395 0.008482 True md_ensemble 7 264 291 @@ -35131,55 +35131,55 @@ CE2_GB1_30 CZ_GB1_52 1 5.395557e-03 2.818291e-05 ; 4.165415e-01 2.582420e- C_GB1_31 ND2_GB1_35 1 1.914515e-03 3.158142e-06 ; 3.437390e-01 2.901521e-01 6.761973e-01 2.498789e-02 0.004395 0.011584 True md_ensemble 7 264 301 C_GB1_31 N_GB1_36 1 1.171724e-03 4.054689e-06 ; 3.889156e-01 8.465121e-02 5.838490e-03 1.054085e-03 0.004395 0.011584 True md_ensemble 7 264 304 C_GB1_31 CA_GB1_36 1 3.499610e-03 3.892094e-05 ; 4.724552e-01 7.866763e-02 5.199132e-03 3.307526e-03 0.004395 0.008482 True md_ensemble 7 264 306 - C_GB1_31 CB_GB1_36 1 0.000000e+00 6.331705e-06 ; 3.285653e-01 -6.331705e-06 5.576472e-03 5.220247e-03 0.004395 0.001132 True md_ensemble 7 264 307 - C_GB1_31 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 316 - C_GB1_31 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 324 - C_GB1_31 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 330 - C_GB1_31 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 331 - C_GB1_31 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 332 - C_GB1_31 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 338 - C_GB1_31 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 346 - C_GB1_31 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 352 - C_GB1_31 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 353 - C_GB1_31 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 362 + C_GB1_31 CB_GB1_36 1 0.000000e+00 6.331598e-06 ; 3.285649e-01 -6.331598e-06 5.576472e-03 5.220247e-03 0.004395 0.001132 True md_ensemble 7 264 307 + C_GB1_31 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 316 + C_GB1_31 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 324 + C_GB1_31 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 330 + C_GB1_31 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 331 + C_GB1_31 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 332 + C_GB1_31 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 338 + C_GB1_31 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 346 + C_GB1_31 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 352 + C_GB1_31 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 353 + C_GB1_31 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 362 C_GB1_31 CZ2_GB1_43 1 5.935149e-03 3.702348e-05 ; 4.290497e-01 2.378625e-01 1.137705e-01 2.558284e-03 0.004395 0.015243 True md_ensemble 7 264 369 C_GB1_31 CH2_GB1_43 1 5.116415e-03 3.311309e-05 ; 4.316903e-01 1.976387e-01 5.217065e-02 2.607000e-03 0.004395 0.015243 True md_ensemble 7 264 371 - C_GB1_31 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 377 - C_GB1_31 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 379 - C_GB1_31 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 385 - C_GB1_31 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 398 - C_GB1_31 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 407 - C_GB1_31 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 416 - C_GB1_31 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 422 - C_GB1_31 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 424 - C_GB1_31 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 430 - C_GB1_31 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 431 - C_GB1_31 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 432 - C_GB1_31 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 433 - C_GB1_31 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 440 - C_GB1_31 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 442 - C_GB1_31 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 448 - C_GB1_31 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 460 - C_GB1_31 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 462 - C_GB1_31 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 468 - C_GB1_31 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 469 - C_GB1_31 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 470 - C_GB1_31 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 476 - C_GB1_31 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 478 - C_GB1_31 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 484 - C_GB1_31 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 485 + C_GB1_31 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 377 + C_GB1_31 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 379 + C_GB1_31 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 385 + C_GB1_31 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 398 + C_GB1_31 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 407 + C_GB1_31 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 416 + C_GB1_31 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 422 + C_GB1_31 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 424 + C_GB1_31 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 430 + C_GB1_31 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 431 + C_GB1_31 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 432 + C_GB1_31 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 433 + C_GB1_31 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 440 + C_GB1_31 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 442 + C_GB1_31 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 448 + C_GB1_31 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 460 + C_GB1_31 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 462 + C_GB1_31 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 468 + C_GB1_31 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 469 + C_GB1_31 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 470 + C_GB1_31 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 476 + C_GB1_31 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 478 + C_GB1_31 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 484 + C_GB1_31 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 264 485 O_GB1_31 O_GB1_31 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 265 265 O_GB1_31 H_GB1_32 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 265 267 - O_GB1_31 CB_GB1_32 1 0.000000e+00 2.015613e-06 ; 2.986727e-01 -2.015613e-06 9.999987e-01 9.999771e-01 0.004395 0.001132 True md_ensemble 4 265 269 - O_GB1_31 CG_GB1_32 1 0.000000e+00 2.707532e-06 ; 3.061090e-01 -2.707532e-06 2.526944e-01 5.959455e-01 0.004395 0.001132 True md_ensemble 5 265 270 - O_GB1_31 CD_GB1_32 1 0.000000e+00 8.408024e-07 ; 2.776853e-01 -8.408024e-07 8.255337e-03 2.501533e-02 0.004395 0.001132 True md_ensemble 6 265 271 + O_GB1_31 CB_GB1_32 1 0.000000e+00 2.015605e-06 ; 2.986727e-01 -2.015605e-06 9.999987e-01 9.999771e-01 0.004395 0.001132 True md_ensemble 4 265 269 + O_GB1_31 CG_GB1_32 1 0.000000e+00 2.707522e-06 ; 3.061089e-01 -2.707522e-06 2.526944e-01 5.959455e-01 0.004395 0.001132 True md_ensemble 5 265 270 + O_GB1_31 CD_GB1_32 1 0.000000e+00 8.407985e-07 ; 2.776852e-01 -8.407985e-07 8.255337e-03 2.501533e-02 0.004395 0.001132 True md_ensemble 6 265 271 O_GB1_31 OE1_GB1_32 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 265 272 - O_GB1_31 NE2_GB1_32 1 0.000000e+00 8.366117e-07 ; 2.775697e-01 -8.366117e-07 5.325560e-03 1.748847e-02 0.004395 0.011584 True md_ensemble 7 265 273 - O_GB1_31 C_GB1_32 1 0.000000e+00 8.234025e-07 ; 2.772018e-01 -8.234025e-07 1.000000e+00 9.957187e-01 0.004395 0.001132 True md_ensemble 4 265 274 + O_GB1_31 NE2_GB1_32 1 0.000000e+00 8.366172e-07 ; 2.775698e-01 -8.366172e-07 5.325560e-03 1.748847e-02 0.004395 0.011584 True md_ensemble 7 265 273 + O_GB1_31 C_GB1_32 1 0.000000e+00 8.233987e-07 ; 2.772017e-01 -8.233987e-07 1.000000e+00 9.957187e-01 0.004395 0.001132 True md_ensemble 4 265 274 O_GB1_31 O_GB1_32 1 0.000000e+00 1.233083e-06 ; 2.866890e-01 -1.233083e-06 9.991130e-01 8.211682e-01 0.004395 0.001132 True md_ensemble 5 265 275 O_GB1_31 N_GB1_33 1 0.000000e+00 1.347883e-06 ; 2.888236e-01 -1.347883e-06 9.999960e-01 8.985847e-01 0.004395 0.001132 True md_ensemble 5 265 276 - O_GB1_31 H_GB1_33 1 0.000000e+00 1.724129e-08 ; 2.008518e-01 -1.724129e-08 8.806435e-02 1.992444e-01 0.004395 0.001132 True md_ensemble 6 265 277 - O_GB1_31 CA_GB1_33 1 0.000000e+00 2.513732e-06 ; 3.042203e-01 -2.513732e-06 9.865481e-01 5.917571e-01 0.004395 0.001132 True md_ensemble 6 265 278 + O_GB1_31 H_GB1_33 1 0.000000e+00 1.724156e-08 ; 2.008521e-01 -1.724156e-08 8.806435e-02 1.992444e-01 0.004395 0.001132 True md_ensemble 6 265 277 + O_GB1_31 CA_GB1_33 1 0.000000e+00 2.513752e-06 ; 3.042205e-01 -2.513752e-06 9.865481e-01 5.917571e-01 0.004395 0.001132 True md_ensemble 6 265 278 O_GB1_31 CB_GB1_33 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 1.888842e-03 1.110860e-01 0.004395 0.007862 True md_ensemble 7 265 279 O_GB1_31 C_GB1_33 1 1.906079e-03 4.164772e-06 ; 3.602260e-01 2.180875e-01 8.208262e-01 1.226153e-01 0.004395 0.011584 True md_ensemble 7 265 287 O_GB1_31 O_GB1_33 1 0.000000e+00 1.645170e-06 ; 2.936607e-01 -1.645170e-06 6.941947e-02 1.661993e-01 0.004395 0.001132 True md_ensemble 7 265 288 @@ -35291,19 +35291,19 @@ CE2_GB1_30 CZ_GB1_52 1 5.395557e-03 2.818291e-05 ; 4.165415e-01 2.582420e- O_GB1_31 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 265 488 O_GB1_31 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 265 490 O_GB1_31 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 265 491 - N_GB1_32 CB_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 269 - N_GB1_32 CG_GB1_32 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 270 - N_GB1_32 CD_GB1_32 1 0.000000e+00 1.571430e-06 ; 2.925407e-01 -1.571430e-06 6.947872e-01 7.367470e-01 0.004395 0.001132 True md_ensemble 4 266 271 + N_GB1_32 CB_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 269 + N_GB1_32 CG_GB1_32 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 270 + N_GB1_32 CD_GB1_32 1 0.000000e+00 1.571408e-06 ; 2.925403e-01 -1.571408e-06 6.947872e-01 7.367470e-01 0.004395 0.001132 True md_ensemble 4 266 271 N_GB1_32 OE1_GB1_32 1 0.000000e+00 1.409891e-06 ; 2.899082e-01 -1.409891e-06 1.970542e-01 1.369815e-01 0.004395 0.001132 True md_ensemble 5 266 272 - N_GB1_32 NE2_GB1_32 1 0.000000e+00 1.492080e-06 ; 2.912802e-01 -1.492080e-06 1.586167e-01 1.484221e-01 0.004395 0.001132 True md_ensemble 5 266 273 - N_GB1_32 CA_GB1_33 1 0.000000e+00 7.574702e-06 ; 3.335100e-01 -7.574702e-06 9.999997e-01 9.999611e-01 0.004395 0.001132 True md_ensemble 4 266 278 - N_GB1_32 CB_GB1_33 1 0.000000e+00 2.384098e-06 ; 3.028810e-01 -2.384098e-06 8.140406e-01 4.625839e-01 0.004395 0.001132 True md_ensemble 5 266 279 + N_GB1_32 NE2_GB1_32 1 0.000000e+00 1.492075e-06 ; 2.912802e-01 -1.492075e-06 1.586167e-01 1.484221e-01 0.004395 0.001132 True md_ensemble 5 266 273 + N_GB1_32 CA_GB1_33 1 0.000000e+00 7.574691e-06 ; 3.335099e-01 -7.574691e-06 9.999997e-01 9.999611e-01 0.004395 0.001132 True md_ensemble 4 266 278 + N_GB1_32 CB_GB1_33 1 0.000000e+00 2.384067e-06 ; 3.028807e-01 -2.384067e-06 8.140406e-01 4.625839e-01 0.004395 0.001132 True md_ensemble 5 266 279 N_GB1_32 CG_GB1_33 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 8.188000e-05 4.302597e-02 0.004395 0.001132 True md_ensemble 6 266 280 N_GB1_32 C_GB1_33 1 1.459182e-03 6.992814e-06 ; 4.106045e-01 7.612147e-02 5.445755e-01 1.245287e-01 0.004395 0.001132 True md_ensemble 5 266 287 N_GB1_32 O_GB1_33 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 0.000000e+00 1.838283e-01 0.004395 0.001132 True md_ensemble 6 266 288 N_GB1_32 N_GB1_34 1 1.229138e-03 3.547169e-06 ; 3.773232e-01 1.064779e-01 8.508789e-01 1.080288e-01 0.004395 0.001132 True md_ensemble 6 266 289 N_GB1_32 CA_GB1_34 1 9.275243e-03 9.248493e-05 ; 4.639355e-01 2.325518e-01 6.994155e-01 5.780100e-02 0.004395 0.008482 True md_ensemble 7 266 291 - N_GB1_32 CB_GB1_34 1 0.000000e+00 2.672329e-06 ; 3.057754e-01 -2.672329e-06 4.773412e-02 2.199627e-02 0.004395 0.001132 True md_ensemble 7 266 292 + N_GB1_32 CB_GB1_34 1 0.000000e+00 2.672304e-06 ; 3.057751e-01 -2.672304e-06 4.773412e-02 2.199627e-02 0.004395 0.001132 True md_ensemble 7 266 292 N_GB1_32 N_GB1_35 1 2.681521e-03 1.041285e-05 ; 3.964588e-01 1.726365e-01 3.213351e-02 6.088448e-04 0.004395 0.001132 True md_ensemble 7 266 295 N_GB1_32 CA_GB1_35 1 1.119321e-02 1.269390e-04 ; 4.739946e-01 2.467482e-01 1.351540e-01 4.241058e-03 0.004395 0.008482 True md_ensemble 7 266 297 N_GB1_32 CB_GB1_35 1 5.361775e-03 3.487068e-05 ; 4.320413e-01 2.061089e-01 4.468214e-01 8.224586e-03 0.004395 0.001132 True md_ensemble 7 266 298 @@ -35311,62 +35311,62 @@ CE2_GB1_30 CZ_GB1_52 1 5.395557e-03 2.818291e-05 ; 4.165415e-01 2.582420e- N_GB1_32 OD1_GB1_35 1 1.760050e-03 4.055586e-06 ; 3.634306e-01 1.909574e-01 4.583353e-02 7.599628e-03 0.004395 0.011584 True md_ensemble 7 266 300 N_GB1_32 ND2_GB1_35 1 3.729600e-03 1.236586e-05 ; 3.861538e-01 2.812162e-01 2.636206e-01 8.624571e-03 0.004395 0.011584 True md_ensemble 7 266 301 N_GB1_32 N_GB1_36 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 266 304 - N_GB1_32 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 307 + N_GB1_32 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 307 N_GB1_32 N_GB1_37 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 266 313 - N_GB1_32 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 316 + N_GB1_32 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 316 N_GB1_32 N_GB1_38 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 6.442791e-05 0.004395 0.001132 True md_ensemble 7 266 322 - N_GB1_32 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 324 + N_GB1_32 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 324 N_GB1_32 N_GB1_39 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 266 327 - N_GB1_32 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 330 - N_GB1_32 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 331 - N_GB1_32 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 332 + N_GB1_32 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 330 + N_GB1_32 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 331 + N_GB1_32 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 332 N_GB1_32 N_GB1_40 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 266 335 - N_GB1_32 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 338 + N_GB1_32 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 338 N_GB1_32 N_GB1_41 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 266 344 - N_GB1_32 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 346 + N_GB1_32 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 346 N_GB1_32 N_GB1_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 266 349 - N_GB1_32 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 352 - N_GB1_32 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 353 + N_GB1_32 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 352 + N_GB1_32 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 353 N_GB1_32 N_GB1_43 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 266 359 - N_GB1_32 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 362 + N_GB1_32 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 362 N_GB1_32 N_GB1_44 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 266 374 - N_GB1_32 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 377 - N_GB1_32 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 379 + N_GB1_32 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 377 + N_GB1_32 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 379 N_GB1_32 N_GB1_45 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 266 382 - N_GB1_32 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 385 + N_GB1_32 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 385 N_GB1_32 N_GB1_46 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 266 395 - N_GB1_32 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 398 + N_GB1_32 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 398 N_GB1_32 N_GB1_47 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 266 404 - N_GB1_32 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 407 + N_GB1_32 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 407 N_GB1_32 N_GB1_48 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 266 413 - N_GB1_32 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 416 + N_GB1_32 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 416 N_GB1_32 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 266 419 - N_GB1_32 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 422 - N_GB1_32 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 424 + N_GB1_32 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 422 + N_GB1_32 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 424 N_GB1_32 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 266 427 - N_GB1_32 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 430 - N_GB1_32 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 431 - N_GB1_32 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 432 - N_GB1_32 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 433 + N_GB1_32 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 430 + N_GB1_32 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 431 + N_GB1_32 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 432 + N_GB1_32 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 433 N_GB1_32 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 266 434 N_GB1_32 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 266 437 - N_GB1_32 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 440 - N_GB1_32 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 442 + N_GB1_32 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 440 + N_GB1_32 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 442 N_GB1_32 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 266 445 - N_GB1_32 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 448 + N_GB1_32 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 448 N_GB1_32 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 266 457 - N_GB1_32 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 460 - N_GB1_32 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 462 + N_GB1_32 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 460 + N_GB1_32 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 462 N_GB1_32 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 266 465 - N_GB1_32 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 468 - N_GB1_32 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 469 - N_GB1_32 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 470 + N_GB1_32 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 468 + N_GB1_32 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 469 + N_GB1_32 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 470 N_GB1_32 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 266 473 - N_GB1_32 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 476 - N_GB1_32 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 478 + N_GB1_32 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 476 + N_GB1_32 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 478 N_GB1_32 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 266 481 - N_GB1_32 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 484 - N_GB1_32 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 485 + N_GB1_32 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 484 + N_GB1_32 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 266 485 H_GB1_32 H_GB1_32 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 267 267 H_GB1_32 OE1_GB1_32 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 267 272 H_GB1_32 O_GB1_32 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 267 275 @@ -35440,18 +35440,18 @@ CE2_GB1_30 CZ_GB1_52 1 5.395557e-03 2.818291e-05 ; 4.165415e-01 2.582420e- H_GB1_32 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 267 488 H_GB1_32 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 267 490 H_GB1_32 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 267 491 - CA_GB1_32 OE1_GB1_32 1 0.000000e+00 4.124965e-06 ; 3.170395e-01 -4.124965e-06 9.992135e-01 9.923447e-01 0.004395 0.001132 True md_ensemble 4 268 272 - CA_GB1_32 NE2_GB1_32 1 0.000000e+00 1.304578e-05 ; 3.489668e-01 -1.304578e-05 1.000000e+00 9.999984e-01 0.004395 0.001132 True md_ensemble 4 268 273 - CA_GB1_32 CB_GB1_33 1 0.000000e+00 3.181367e-05 ; 3.758773e-01 -3.181367e-05 9.999982e-01 9.999987e-01 0.004395 0.001132 True md_ensemble 4 268 279 - CA_GB1_32 CG_GB1_33 1 0.000000e+00 2.207931e-05 ; 3.646088e-01 -2.207931e-05 5.594205e-02 7.476014e-01 0.004395 0.001132 True md_ensemble 5 268 280 - CA_GB1_32 CD1_GB1_33 1 0.000000e+00 1.883093e-05 ; 3.598054e-01 -1.883093e-05 2.886827e-02 4.716454e-01 0.004395 0.001132 True md_ensemble 6 268 281 - CA_GB1_32 CD2_GB1_33 1 0.000000e+00 1.883093e-05 ; 3.598054e-01 -1.883093e-05 2.886827e-02 4.716454e-01 0.004395 0.001132 True md_ensemble 6 268 282 - CA_GB1_32 CE1_GB1_33 1 0.000000e+00 1.552387e-05 ; 3.540612e-01 -1.552387e-05 7.197962e-03 1.965967e-01 0.004395 0.010759 True md_ensemble 7 268 283 - CA_GB1_32 CE2_GB1_33 1 0.000000e+00 1.552387e-05 ; 3.540612e-01 -1.552387e-05 7.197962e-03 1.965967e-01 0.004395 0.010759 True md_ensemble 7 268 284 - CA_GB1_32 C_GB1_33 1 0.000000e+00 1.305177e-05 ; 3.489802e-01 -1.305177e-05 1.000000e+00 9.999926e-01 0.004395 0.001132 True md_ensemble 4 268 287 - CA_GB1_32 O_GB1_33 1 0.000000e+00 5.910505e-06 ; 3.266859e-01 -5.910505e-06 6.810713e-02 4.911268e-01 0.004395 0.001132 True md_ensemble 5 268 288 - CA_GB1_32 N_GB1_34 1 0.000000e+00 4.349067e-06 ; 3.184403e-01 -4.349067e-06 9.999840e-01 5.741187e-01 0.004395 0.001132 True md_ensemble 5 268 289 - CA_GB1_32 CA_GB1_34 1 0.000000e+00 3.678649e-05 ; 3.804542e-01 -3.678649e-05 9.997157e-01 5.608639e-01 0.004395 0.001132 True md_ensemble 6 268 291 + CA_GB1_32 OE1_GB1_32 1 0.000000e+00 4.124998e-06 ; 3.170397e-01 -4.124998e-06 9.992135e-01 9.923447e-01 0.004395 0.001132 True md_ensemble 4 268 272 + CA_GB1_32 NE2_GB1_32 1 0.000000e+00 1.304585e-05 ; 3.489670e-01 -1.304585e-05 1.000000e+00 9.999984e-01 0.004395 0.001132 True md_ensemble 4 268 273 + CA_GB1_32 CB_GB1_33 1 0.000000e+00 3.181353e-05 ; 3.758772e-01 -3.181353e-05 9.999982e-01 9.999987e-01 0.004395 0.001132 True md_ensemble 4 268 279 + CA_GB1_32 CG_GB1_33 1 0.000000e+00 2.207919e-05 ; 3.646086e-01 -2.207919e-05 5.594205e-02 7.476014e-01 0.004395 0.001132 True md_ensemble 5 268 280 + CA_GB1_32 CD1_GB1_33 1 0.000000e+00 1.883083e-05 ; 3.598052e-01 -1.883083e-05 2.886827e-02 4.716454e-01 0.004395 0.001132 True md_ensemble 6 268 281 + CA_GB1_32 CD2_GB1_33 1 0.000000e+00 1.883083e-05 ; 3.598052e-01 -1.883083e-05 2.886827e-02 4.716454e-01 0.004395 0.001132 True md_ensemble 6 268 282 + CA_GB1_32 CE1_GB1_33 1 0.000000e+00 1.552379e-05 ; 3.540610e-01 -1.552379e-05 7.197962e-03 1.965967e-01 0.004395 0.010759 True md_ensemble 7 268 283 + CA_GB1_32 CE2_GB1_33 1 0.000000e+00 1.552379e-05 ; 3.540610e-01 -1.552379e-05 7.197962e-03 1.965967e-01 0.004395 0.010759 True md_ensemble 7 268 284 + CA_GB1_32 C_GB1_33 1 0.000000e+00 1.305170e-05 ; 3.489800e-01 -1.305170e-05 1.000000e+00 9.999926e-01 0.004395 0.001132 True md_ensemble 4 268 287 + CA_GB1_32 O_GB1_33 1 0.000000e+00 5.910551e-06 ; 3.266861e-01 -5.910551e-06 6.810713e-02 4.911268e-01 0.004395 0.001132 True md_ensemble 5 268 288 + CA_GB1_32 N_GB1_34 1 0.000000e+00 4.349061e-06 ; 3.184402e-01 -4.349061e-06 9.999840e-01 5.741187e-01 0.004395 0.001132 True md_ensemble 5 268 289 + CA_GB1_32 CA_GB1_34 1 0.000000e+00 3.678676e-05 ; 3.804544e-01 -3.678676e-05 9.997157e-01 5.608639e-01 0.004395 0.001132 True md_ensemble 6 268 291 CA_GB1_32 CB_GB1_34 1 1.209424e-02 2.184066e-04 ; 5.122097e-01 1.674294e-01 5.629846e-01 2.085110e-01 0.004395 0.010759 True md_ensemble 7 268 292 CA_GB1_32 C_GB1_34 1 1.220551e-02 1.597395e-04 ; 4.854480e-01 2.331521e-01 6.443510e-01 5.263388e-02 0.004395 0.008482 True md_ensemble 7 268 293 CA_GB1_32 N_GB1_35 1 3.979411e-03 1.797238e-05 ; 4.065661e-01 2.202784e-01 9.819575e-01 1.029460e-01 0.004395 0.008482 True md_ensemble 7 268 295 @@ -35467,260 +35467,260 @@ CE2_GB1_30 CZ_GB1_52 1 5.395557e-03 2.818291e-05 ; 4.165415e-01 2.582420e- CA_GB1_32 CG_GB1_36 1 7.146018e-03 5.125236e-05 ; 4.391454e-01 2.490889e-01 2.465435e-01 1.478704e-02 0.004395 0.008482 True md_ensemble 7 268 308 CA_GB1_32 OD1_GB1_36 1 1.512183e-03 2.718937e-06 ; 3.487111e-01 2.102566e-01 7.097129e-02 9.035817e-03 0.004395 0.008483 True md_ensemble 7 268 309 CA_GB1_32 OD2_GB1_36 1 1.512183e-03 2.718937e-06 ; 3.487111e-01 2.102566e-01 7.097129e-02 9.035817e-03 0.004395 0.008483 True md_ensemble 7 268 310 - CB_GB1_32 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 271 + CB_GB1_32 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 271 CB_GB1_32 OE1_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 272 - CB_GB1_32 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 273 - CB_GB1_32 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 274 + CB_GB1_32 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 273 + CB_GB1_32 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 274 CB_GB1_32 O_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 275 - CB_GB1_32 N_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 276 - CB_GB1_32 CA_GB1_33 1 0.000000e+00 3.181365e-05 ; 3.758773e-01 -3.181365e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 269 278 - CB_GB1_32 CB_GB1_33 1 0.000000e+00 1.096939e-05 ; 3.439618e-01 -1.096939e-05 9.629838e-01 6.734869e-01 0.004395 0.001132 True md_ensemble 5 269 279 - CB_GB1_32 CG_GB1_33 1 0.000000e+00 7.813732e-06 ; 3.343745e-01 -7.813732e-06 3.606495e-02 2.696899e-01 0.004395 0.001132 True md_ensemble 6 269 280 - CB_GB1_32 CD1_GB1_33 1 0.000000e+00 7.535462e-06 ; 3.333656e-01 -7.535462e-06 2.447362e-02 2.141655e-01 0.004395 0.012152 True md_ensemble 7 269 281 - CB_GB1_32 CD2_GB1_33 1 0.000000e+00 7.535462e-06 ; 3.333656e-01 -7.535462e-06 2.447362e-02 2.141655e-01 0.004395 0.012152 True md_ensemble 7 269 282 - CB_GB1_32 CE1_GB1_33 1 0.000000e+00 7.107973e-06 ; 3.317471e-01 -7.107973e-06 1.420394e-02 1.364043e-01 0.004395 0.012152 True md_ensemble 7 269 283 - CB_GB1_32 CE2_GB1_33 1 0.000000e+00 7.107973e-06 ; 3.317471e-01 -7.107973e-06 1.420394e-02 1.364043e-01 0.004395 0.012152 True md_ensemble 7 269 284 - CB_GB1_32 CZ_GB1_33 1 0.000000e+00 6.808341e-06 ; 3.305586e-01 -6.808341e-06 5.976760e-03 8.087137e-02 0.004395 0.012152 True md_ensemble 7 269 285 - CB_GB1_32 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 286 - CB_GB1_32 C_GB1_33 1 0.000000e+00 7.791206e-06 ; 3.342941e-01 -7.791206e-06 5.186595e-02 2.819344e-01 0.004395 0.001132 True md_ensemble 5 269 287 + CB_GB1_32 N_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 276 + CB_GB1_32 CA_GB1_33 1 0.000000e+00 3.181352e-05 ; 3.758772e-01 -3.181352e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 269 278 + CB_GB1_32 CB_GB1_33 1 0.000000e+00 1.096921e-05 ; 3.439613e-01 -1.096921e-05 9.629838e-01 6.734869e-01 0.004395 0.001132 True md_ensemble 5 269 279 + CB_GB1_32 CG_GB1_33 1 0.000000e+00 7.813601e-06 ; 3.343741e-01 -7.813601e-06 3.606495e-02 2.696899e-01 0.004395 0.001132 True md_ensemble 6 269 280 + CB_GB1_32 CD1_GB1_33 1 0.000000e+00 7.535336e-06 ; 3.333652e-01 -7.535336e-06 2.447362e-02 2.141655e-01 0.004395 0.012152 True md_ensemble 7 269 281 + CB_GB1_32 CD2_GB1_33 1 0.000000e+00 7.535336e-06 ; 3.333652e-01 -7.535336e-06 2.447362e-02 2.141655e-01 0.004395 0.012152 True md_ensemble 7 269 282 + CB_GB1_32 CE1_GB1_33 1 0.000000e+00 7.107854e-06 ; 3.317466e-01 -7.107854e-06 1.420394e-02 1.364043e-01 0.004395 0.012152 True md_ensemble 7 269 283 + CB_GB1_32 CE2_GB1_33 1 0.000000e+00 7.107854e-06 ; 3.317466e-01 -7.107854e-06 1.420394e-02 1.364043e-01 0.004395 0.012152 True md_ensemble 7 269 284 + CB_GB1_32 CZ_GB1_33 1 0.000000e+00 6.808226e-06 ; 3.305581e-01 -6.808226e-06 5.976760e-03 8.087137e-02 0.004395 0.012152 True md_ensemble 7 269 285 + CB_GB1_32 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 286 + CB_GB1_32 C_GB1_33 1 0.000000e+00 7.791075e-06 ; 3.342936e-01 -7.791075e-06 5.186595e-02 2.819344e-01 0.004395 0.001132 True md_ensemble 5 269 287 CB_GB1_32 O_GB1_33 1 0.000000e+00 2.015656e-06 ; 2.986733e-01 -2.015656e-06 0.000000e+00 9.489287e-02 0.004395 0.001132 True md_ensemble 6 269 288 - CB_GB1_32 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 289 - CB_GB1_32 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 293 + CB_GB1_32 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 289 + CB_GB1_32 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 293 CB_GB1_32 O_GB1_34 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.941626e-02 0.004395 0.007862 True md_ensemble 7 269 294 - CB_GB1_32 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 295 + CB_GB1_32 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 295 CB_GB1_32 CA_GB1_35 1 8.159807e-03 1.901294e-04 ; 5.344350e-01 8.754887e-02 3.984234e-02 4.591138e-02 0.004395 0.007117 True md_ensemble 7 269 297 CB_GB1_32 CB_GB1_35 1 1.032254e-02 1.344149e-04 ; 4.850391e-01 1.981829e-01 2.955383e-01 4.405909e-02 0.004395 0.007860 True md_ensemble 7 269 298 - CB_GB1_32 CG_GB1_35 1 0.000000e+00 6.438692e-06 ; 3.290244e-01 -6.438692e-06 8.673327e-03 2.520808e-02 0.004395 0.001132 True md_ensemble 7 269 299 - CB_GB1_32 OD1_GB1_35 1 0.000000e+00 2.038117e-06 ; 2.989492e-01 -2.038117e-06 6.414057e-03 1.755700e-02 0.004395 0.007862 True md_ensemble 7 269 300 - CB_GB1_32 ND2_GB1_35 1 0.000000e+00 6.136137e-06 ; 3.277074e-01 -6.136137e-06 6.495526e-02 3.417372e-02 0.004395 0.001132 True md_ensemble 7 269 301 - CB_GB1_32 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 302 + CB_GB1_32 CG_GB1_35 1 0.000000e+00 6.438583e-06 ; 3.290240e-01 -6.438583e-06 8.673327e-03 2.520808e-02 0.004395 0.001132 True md_ensemble 7 269 299 + CB_GB1_32 OD1_GB1_35 1 0.000000e+00 2.038109e-06 ; 2.989491e-01 -2.038109e-06 6.414057e-03 1.755700e-02 0.004395 0.007862 True md_ensemble 7 269 300 + CB_GB1_32 ND2_GB1_35 1 0.000000e+00 6.136103e-06 ; 3.277073e-01 -6.136103e-06 6.495526e-02 3.417372e-02 0.004395 0.001132 True md_ensemble 7 269 301 + CB_GB1_32 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 302 CB_GB1_32 O_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.020460e-03 0.004395 0.007862 True md_ensemble 7 269 303 - CB_GB1_32 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 304 + CB_GB1_32 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 304 CB_GB1_32 CB_GB1_36 1 6.364554e-03 7.214282e-05 ; 4.739554e-01 1.403728e-01 3.356817e-02 1.534594e-02 0.004395 0.007860 True md_ensemble 7 269 307 CB_GB1_32 CG_GB1_36 1 2.677567e-03 2.143198e-05 ; 4.472534e-01 8.362925e-02 4.989193e-02 9.863734e-03 0.004395 0.001132 True md_ensemble 7 269 308 CB_GB1_32 OD1_GB1_36 1 7.042460e-04 1.513511e-06 ; 3.592335e-01 8.192251e-02 3.113581e-02 6.362657e-03 0.004395 0.001132 True md_ensemble 7 269 309 CB_GB1_32 OD2_GB1_36 1 7.042460e-04 1.513511e-06 ; 3.592335e-01 8.192251e-02 3.113581e-02 6.362657e-03 0.004395 0.001132 True md_ensemble 7 269 310 - CB_GB1_32 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 311 + CB_GB1_32 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 311 CB_GB1_32 O_GB1_36 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.026441e-03 0.004395 0.007862 True md_ensemble 7 269 312 - CB_GB1_32 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 313 - CB_GB1_32 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 317 + CB_GB1_32 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 313 + CB_GB1_32 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 317 CB_GB1_32 OD1_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.220147e-03 0.004395 0.007862 True md_ensemble 7 269 318 - CB_GB1_32 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 319 - CB_GB1_32 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 320 + CB_GB1_32 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 319 + CB_GB1_32 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 320 CB_GB1_32 O_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.295693e-03 0.004395 0.007862 True md_ensemble 7 269 321 - CB_GB1_32 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 322 - CB_GB1_32 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 325 + CB_GB1_32 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 322 + CB_GB1_32 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 325 CB_GB1_32 O_GB1_38 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.179992e-03 0.004395 0.007862 True md_ensemble 7 269 326 - CB_GB1_32 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 327 - CB_GB1_32 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 333 + CB_GB1_32 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 327 + CB_GB1_32 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 333 CB_GB1_32 O_GB1_39 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.655910e-04 0.004395 0.007862 True md_ensemble 7 269 334 - CB_GB1_32 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 335 - CB_GB1_32 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 339 - CB_GB1_32 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 340 - CB_GB1_32 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 341 - CB_GB1_32 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 342 + CB_GB1_32 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 335 + CB_GB1_32 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 339 + CB_GB1_32 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 340 + CB_GB1_32 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 341 + CB_GB1_32 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 342 CB_GB1_32 O_GB1_40 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.984868e-04 0.004395 0.007862 True md_ensemble 7 269 343 - CB_GB1_32 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 344 - CB_GB1_32 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 347 + CB_GB1_32 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 344 + CB_GB1_32 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 347 CB_GB1_32 O_GB1_41 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 8.166422e-04 0.004395 0.007862 True md_ensemble 7 269 348 - CB_GB1_32 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 349 - CB_GB1_32 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 354 - CB_GB1_32 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 355 - CB_GB1_32 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 356 - CB_GB1_32 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 357 + CB_GB1_32 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 349 + CB_GB1_32 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 354 + CB_GB1_32 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 355 + CB_GB1_32 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 356 + CB_GB1_32 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 357 CB_GB1_32 O_GB1_42 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.648604e-04 0.004395 0.007862 True md_ensemble 7 269 358 - CB_GB1_32 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 359 - CB_GB1_32 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 366 - CB_GB1_32 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 372 + CB_GB1_32 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 359 + CB_GB1_32 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 366 + CB_GB1_32 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 372 CB_GB1_32 O_GB1_43 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.885006e-04 0.004395 0.007862 True md_ensemble 7 269 373 - CB_GB1_32 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 374 - CB_GB1_32 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 378 - CB_GB1_32 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 380 + CB_GB1_32 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 374 + CB_GB1_32 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 378 + CB_GB1_32 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 380 CB_GB1_32 O_GB1_44 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.562453e-05 0.004395 0.007862 True md_ensemble 7 269 381 - CB_GB1_32 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 382 - CB_GB1_32 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 392 - CB_GB1_32 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 393 + CB_GB1_32 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 382 + CB_GB1_32 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 392 + CB_GB1_32 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 393 CB_GB1_32 O_GB1_45 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000659e-04 0.004395 0.007862 True md_ensemble 7 269 394 - CB_GB1_32 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 395 - CB_GB1_32 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 399 - CB_GB1_32 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 400 - CB_GB1_32 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 401 - CB_GB1_32 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 402 + CB_GB1_32 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 395 + CB_GB1_32 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 399 + CB_GB1_32 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 400 + CB_GB1_32 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 401 + CB_GB1_32 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 402 CB_GB1_32 O_GB1_46 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.915821e-04 0.004395 0.007862 True md_ensemble 7 269 403 - CB_GB1_32 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 404 - CB_GB1_32 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 408 - CB_GB1_32 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 409 - CB_GB1_32 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 410 - CB_GB1_32 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 411 + CB_GB1_32 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 404 + CB_GB1_32 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 408 + CB_GB1_32 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 409 + CB_GB1_32 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 410 + CB_GB1_32 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 411 CB_GB1_32 O_GB1_47 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.994390e-04 0.004395 0.007862 True md_ensemble 7 269 412 - CB_GB1_32 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 413 - CB_GB1_32 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 417 + CB_GB1_32 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 413 + CB_GB1_32 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 417 CB_GB1_32 O_GB1_48 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.999795e-04 0.004395 0.007862 True md_ensemble 7 269 418 - CB_GB1_32 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 419 - CB_GB1_32 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 423 - CB_GB1_32 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 425 + CB_GB1_32 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 419 + CB_GB1_32 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 423 + CB_GB1_32 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 425 CB_GB1_32 O_GB1_49 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.995532e-05 0.004395 0.007862 True md_ensemble 7 269 426 - CB_GB1_32 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 427 - CB_GB1_32 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 434 - CB_GB1_32 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 435 + CB_GB1_32 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 427 + CB_GB1_32 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 434 + CB_GB1_32 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 435 CB_GB1_32 O_GB1_50 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 269 436 - CB_GB1_32 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 437 - CB_GB1_32 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 441 - CB_GB1_32 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 443 + CB_GB1_32 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 437 + CB_GB1_32 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 441 + CB_GB1_32 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 443 CB_GB1_32 O_GB1_51 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.996893e-05 0.004395 0.007862 True md_ensemble 7 269 444 - CB_GB1_32 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 445 - CB_GB1_32 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 455 + CB_GB1_32 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 445 + CB_GB1_32 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 455 CB_GB1_32 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.997516e-05 0.004395 0.007862 True md_ensemble 7 269 456 - CB_GB1_32 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 457 - CB_GB1_32 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 461 - CB_GB1_32 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 463 + CB_GB1_32 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 457 + CB_GB1_32 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 461 + CB_GB1_32 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 463 CB_GB1_32 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 269 464 - CB_GB1_32 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 465 - CB_GB1_32 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 471 + CB_GB1_32 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 465 + CB_GB1_32 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 471 CB_GB1_32 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.703789e-04 0.004395 0.007862 True md_ensemble 7 269 472 - CB_GB1_32 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 473 - CB_GB1_32 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 477 - CB_GB1_32 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 479 + CB_GB1_32 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 473 + CB_GB1_32 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 477 + CB_GB1_32 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 479 CB_GB1_32 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000399e-04 0.004395 0.007862 True md_ensemble 7 269 480 - CB_GB1_32 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 481 - CB_GB1_32 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 486 - CB_GB1_32 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 487 - CB_GB1_32 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 488 - CB_GB1_32 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 489 - CB_GB1_32 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 490 - CB_GB1_32 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 491 - CG_GB1_32 CD_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 271 + CB_GB1_32 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 481 + CB_GB1_32 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 486 + CB_GB1_32 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 487 + CB_GB1_32 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 488 + CB_GB1_32 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 489 + CB_GB1_32 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 490 + CB_GB1_32 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 269 491 + CG_GB1_32 CD_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 271 CG_GB1_32 OE1_GB1_32 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 272 - CG_GB1_32 NE2_GB1_32 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 273 - CG_GB1_32 C_GB1_32 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 274 - CG_GB1_32 O_GB1_32 1 0.000000e+00 1.973529e-06 ; 2.981480e-01 -1.973529e-06 9.863686e-01 9.654687e-01 0.004395 0.001132 True md_ensemble 4 270 275 - CG_GB1_32 N_GB1_33 1 0.000000e+00 3.607902e-06 ; 3.135207e-01 -3.607902e-06 9.984138e-01 9.798670e-01 0.004395 0.001132 True md_ensemble 4 270 276 - CG_GB1_32 CA_GB1_33 1 0.000000e+00 2.820437e-05 ; 3.721243e-01 -2.820437e-05 8.231250e-01 7.096744e-01 0.004395 0.001132 True md_ensemble 5 270 278 - CG_GB1_32 CB_GB1_33 1 0.000000e+00 1.604341e-05 ; 3.550338e-01 -1.604341e-05 1.280552e-01 1.672105e-01 0.004395 0.001132 True md_ensemble 6 270 279 - CG_GB1_32 CG_GB1_33 1 0.000000e+00 6.930511e-06 ; 3.310489e-01 -6.930511e-06 7.368770e-03 1.015516e-01 0.004395 0.012152 True md_ensemble 7 270 280 - CG_GB1_32 CD1_GB1_33 1 0.000000e+00 6.919140e-06 ; 3.310036e-01 -6.919140e-06 1.628121e-02 1.086687e-01 0.004395 0.012152 True md_ensemble 7 270 281 - CG_GB1_32 CD2_GB1_33 1 0.000000e+00 6.919140e-06 ; 3.310036e-01 -6.919140e-06 1.628121e-02 1.086687e-01 0.004395 0.012152 True md_ensemble 7 270 282 - CG_GB1_32 CE1_GB1_33 1 0.000000e+00 6.836447e-06 ; 3.306721e-01 -6.836447e-06 8.045872e-03 8.737782e-02 0.004395 0.012152 True md_ensemble 7 270 283 - CG_GB1_32 CE2_GB1_33 1 0.000000e+00 6.836447e-06 ; 3.306721e-01 -6.836447e-06 8.045872e-03 8.737782e-02 0.004395 0.012152 True md_ensemble 7 270 284 - CG_GB1_32 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 286 - CG_GB1_32 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 287 + CG_GB1_32 NE2_GB1_32 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 273 + CG_GB1_32 C_GB1_32 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 274 + CG_GB1_32 O_GB1_32 1 0.000000e+00 1.973522e-06 ; 2.981480e-01 -1.973522e-06 9.863686e-01 9.654687e-01 0.004395 0.001132 True md_ensemble 4 270 275 + CG_GB1_32 N_GB1_33 1 0.000000e+00 3.607855e-06 ; 3.135204e-01 -3.607855e-06 9.984138e-01 9.798670e-01 0.004395 0.001132 True md_ensemble 4 270 276 + CG_GB1_32 CA_GB1_33 1 0.000000e+00 2.820426e-05 ; 3.721242e-01 -2.820426e-05 8.231250e-01 7.096744e-01 0.004395 0.001132 True md_ensemble 5 270 278 + CG_GB1_32 CB_GB1_33 1 0.000000e+00 1.604316e-05 ; 3.550334e-01 -1.604316e-05 1.280552e-01 1.672105e-01 0.004395 0.001132 True md_ensemble 6 270 279 + CG_GB1_32 CG_GB1_33 1 0.000000e+00 6.930395e-06 ; 3.310484e-01 -6.930395e-06 7.368770e-03 1.015516e-01 0.004395 0.012152 True md_ensemble 7 270 280 + CG_GB1_32 CD1_GB1_33 1 0.000000e+00 6.919024e-06 ; 3.310031e-01 -6.919024e-06 1.628121e-02 1.086687e-01 0.004395 0.012152 True md_ensemble 7 270 281 + CG_GB1_32 CD2_GB1_33 1 0.000000e+00 6.919024e-06 ; 3.310031e-01 -6.919024e-06 1.628121e-02 1.086687e-01 0.004395 0.012152 True md_ensemble 7 270 282 + CG_GB1_32 CE1_GB1_33 1 0.000000e+00 6.836332e-06 ; 3.306716e-01 -6.836332e-06 8.045872e-03 8.737782e-02 0.004395 0.012152 True md_ensemble 7 270 283 + CG_GB1_32 CE2_GB1_33 1 0.000000e+00 6.836332e-06 ; 3.306716e-01 -6.836332e-06 8.045872e-03 8.737782e-02 0.004395 0.012152 True md_ensemble 7 270 284 + CG_GB1_32 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 286 + CG_GB1_32 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 287 CG_GB1_32 O_GB1_33 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.186380e-02 0.004395 0.007862 True md_ensemble 7 270 288 - CG_GB1_32 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 289 - CG_GB1_32 C_GB1_34 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 293 + CG_GB1_32 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 289 + CG_GB1_32 C_GB1_34 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 293 CG_GB1_32 O_GB1_34 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.411705e-02 0.004395 0.007862 True md_ensemble 7 270 294 - CG_GB1_32 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 295 - CG_GB1_32 CA_GB1_35 1 0.000000e+00 3.245422e-05 ; 3.765023e-01 -3.245422e-05 8.807257e-03 2.894234e-02 0.004395 0.007117 True md_ensemble 7 270 297 + CG_GB1_32 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 295 + CG_GB1_32 CA_GB1_35 1 0.000000e+00 3.245409e-05 ; 3.765021e-01 -3.245409e-05 8.807257e-03 2.894234e-02 0.004395 0.007117 True md_ensemble 7 270 297 CG_GB1_32 CB_GB1_35 1 8.185856e-03 1.034262e-04 ; 4.826079e-01 1.619712e-01 9.458312e-02 2.844883e-02 0.004395 0.007860 True md_ensemble 7 270 298 - CG_GB1_32 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 299 + CG_GB1_32 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 299 CG_GB1_32 OD1_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 3.940595e-03 1.366462e-02 0.004395 0.007862 True md_ensemble 7 270 300 - CG_GB1_32 ND2_GB1_35 1 0.000000e+00 6.189396e-06 ; 3.279435e-01 -6.189396e-06 5.022929e-02 2.786003e-02 0.004395 0.001132 True md_ensemble 7 270 301 - CG_GB1_32 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 302 + CG_GB1_32 ND2_GB1_35 1 0.000000e+00 6.189361e-06 ; 3.279433e-01 -6.189361e-06 5.022929e-02 2.786003e-02 0.004395 0.001132 True md_ensemble 7 270 301 + CG_GB1_32 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 302 CG_GB1_32 O_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.829507e-03 0.004395 0.007862 True md_ensemble 7 270 303 - CG_GB1_32 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 304 + CG_GB1_32 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 304 CG_GB1_32 CA_GB1_36 1 1.364889e-02 2.962462e-04 ; 5.281524e-01 1.572107e-01 3.450985e-02 1.030641e-02 0.004395 0.007117 True md_ensemble 7 270 306 CG_GB1_32 CB_GB1_36 1 1.080375e-02 1.231481e-04 ; 4.743973e-01 2.369523e-01 1.834250e-01 1.289794e-02 0.004395 0.007860 True md_ensemble 7 270 307 CG_GB1_32 CG_GB1_36 1 2.260453e-03 9.209703e-06 ; 3.996456e-01 1.387029e-01 1.320357e-01 8.976234e-03 0.004395 0.001132 True md_ensemble 7 270 308 CG_GB1_32 OD1_GB1_36 1 6.849414e-04 8.357572e-07 ; 3.268921e-01 1.403352e-01 8.175273e-02 5.384728e-03 0.004395 0.001132 True md_ensemble 7 270 309 CG_GB1_32 OD2_GB1_36 1 6.849414e-04 8.357572e-07 ; 3.268921e-01 1.403352e-01 8.175273e-02 5.384728e-03 0.004395 0.001132 True md_ensemble 7 270 310 - CG_GB1_32 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 311 + CG_GB1_32 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 311 CG_GB1_32 O_GB1_36 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.371655e-03 0.004395 0.007862 True md_ensemble 7 270 312 - CG_GB1_32 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 313 - CG_GB1_32 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 317 + CG_GB1_32 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 313 + CG_GB1_32 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 317 CG_GB1_32 OD1_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.753693e-03 0.004395 0.007862 True md_ensemble 7 270 318 - CG_GB1_32 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 319 - CG_GB1_32 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 320 + CG_GB1_32 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 319 + CG_GB1_32 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 320 CG_GB1_32 O_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.165470e-03 0.004395 0.007862 True md_ensemble 7 270 321 - CG_GB1_32 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 322 - CG_GB1_32 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 325 + CG_GB1_32 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 322 + CG_GB1_32 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 325 CG_GB1_32 O_GB1_38 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.026786e-03 0.004395 0.007862 True md_ensemble 7 270 326 - CG_GB1_32 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 327 - CG_GB1_32 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 333 + CG_GB1_32 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 327 + CG_GB1_32 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 333 CG_GB1_32 O_GB1_39 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.220135e-04 0.004395 0.007862 True md_ensemble 7 270 334 - CG_GB1_32 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 335 - CG_GB1_32 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 339 - CG_GB1_32 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 340 - CG_GB1_32 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 341 - CG_GB1_32 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 342 + CG_GB1_32 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 335 + CG_GB1_32 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 339 + CG_GB1_32 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 340 + CG_GB1_32 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 341 + CG_GB1_32 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 342 CG_GB1_32 O_GB1_40 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 8.296372e-04 0.004395 0.007862 True md_ensemble 7 270 343 - CG_GB1_32 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 344 - CG_GB1_32 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 347 + CG_GB1_32 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 344 + CG_GB1_32 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 347 CG_GB1_32 O_GB1_41 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 8.208685e-04 0.004395 0.007862 True md_ensemble 7 270 348 - CG_GB1_32 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 349 - CG_GB1_32 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 354 - CG_GB1_32 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 355 - CG_GB1_32 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 356 - CG_GB1_32 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 357 + CG_GB1_32 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 349 + CG_GB1_32 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 354 + CG_GB1_32 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 355 + CG_GB1_32 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 356 + CG_GB1_32 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 357 CG_GB1_32 O_GB1_42 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.001041e-04 0.004395 0.007862 True md_ensemble 7 270 358 - CG_GB1_32 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 359 - CG_GB1_32 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 366 - CG_GB1_32 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 372 + CG_GB1_32 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 359 + CG_GB1_32 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 366 + CG_GB1_32 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 372 CG_GB1_32 O_GB1_43 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.000400e-04 0.004395 0.007862 True md_ensemble 7 270 373 - CG_GB1_32 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 374 - CG_GB1_32 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 378 - CG_GB1_32 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 380 + CG_GB1_32 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 374 + CG_GB1_32 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 378 + CG_GB1_32 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 380 CG_GB1_32 O_GB1_44 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.643232e-04 0.004395 0.007862 True md_ensemble 7 270 381 - CG_GB1_32 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 382 - CG_GB1_32 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 392 - CG_GB1_32 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 393 + CG_GB1_32 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 382 + CG_GB1_32 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 392 + CG_GB1_32 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 393 CG_GB1_32 O_GB1_45 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.971800e-05 0.004395 0.007862 True md_ensemble 7 270 394 - CG_GB1_32 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 395 - CG_GB1_32 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 399 - CG_GB1_32 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 400 - CG_GB1_32 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 401 - CG_GB1_32 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 402 + CG_GB1_32 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 395 + CG_GB1_32 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 399 + CG_GB1_32 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 400 + CG_GB1_32 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 401 + CG_GB1_32 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 402 CG_GB1_32 O_GB1_46 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.999571e-04 0.004395 0.007862 True md_ensemble 7 270 403 - CG_GB1_32 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 404 - CG_GB1_32 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 408 - CG_GB1_32 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 409 - CG_GB1_32 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 410 - CG_GB1_32 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 411 + CG_GB1_32 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 404 + CG_GB1_32 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 408 + CG_GB1_32 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 409 + CG_GB1_32 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 410 + CG_GB1_32 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 411 CG_GB1_32 O_GB1_47 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.653353e-04 0.004395 0.007862 True md_ensemble 7 270 412 - CG_GB1_32 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 413 - CG_GB1_32 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 417 + CG_GB1_32 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 413 + CG_GB1_32 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 417 CG_GB1_32 O_GB1_48 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.382156e-04 0.004395 0.007862 True md_ensemble 7 270 418 - CG_GB1_32 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 419 - CG_GB1_32 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 423 - CG_GB1_32 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 425 + CG_GB1_32 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 419 + CG_GB1_32 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 423 + CG_GB1_32 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 425 CG_GB1_32 O_GB1_49 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.450571e-05 0.004395 0.007862 True md_ensemble 7 270 426 - CG_GB1_32 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 427 - CG_GB1_32 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 434 - CG_GB1_32 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 435 + CG_GB1_32 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 427 + CG_GB1_32 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 434 + CG_GB1_32 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 435 CG_GB1_32 O_GB1_50 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 270 436 - CG_GB1_32 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 437 - CG_GB1_32 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 441 - CG_GB1_32 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 443 + CG_GB1_32 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 437 + CG_GB1_32 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 441 + CG_GB1_32 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 443 CG_GB1_32 O_GB1_51 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.958924e-04 0.004395 0.007862 True md_ensemble 7 270 444 - CG_GB1_32 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 445 - CG_GB1_32 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 455 + CG_GB1_32 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 445 + CG_GB1_32 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 455 CG_GB1_32 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.999650e-04 0.004395 0.007862 True md_ensemble 7 270 456 - CG_GB1_32 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 457 - CG_GB1_32 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 461 - CG_GB1_32 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 463 + CG_GB1_32 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 457 + CG_GB1_32 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 461 + CG_GB1_32 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 463 CG_GB1_32 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 270 464 - CG_GB1_32 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 465 - CG_GB1_32 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 471 + CG_GB1_32 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 465 + CG_GB1_32 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 471 CG_GB1_32 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.593289e-04 0.004395 0.007862 True md_ensemble 7 270 472 - CG_GB1_32 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 473 - CG_GB1_32 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 477 - CG_GB1_32 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 479 + CG_GB1_32 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 473 + CG_GB1_32 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 477 + CG_GB1_32 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 479 CG_GB1_32 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 270 480 - CG_GB1_32 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 481 - CG_GB1_32 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 486 - CG_GB1_32 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 487 - CG_GB1_32 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 488 - CG_GB1_32 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 489 - CG_GB1_32 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 490 - CG_GB1_32 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 491 - CD_GB1_32 C_GB1_32 1 0.000000e+00 2.326827e-06 ; 3.022679e-01 -2.326827e-06 7.126976e-01 6.081234e-01 0.004395 0.001132 True md_ensemble 4 271 274 - CD_GB1_32 O_GB1_32 1 0.000000e+00 7.518696e-07 ; 2.751103e-01 -7.518696e-07 1.800162e-01 8.923215e-02 0.004395 0.001132 True md_ensemble 5 271 275 - CD_GB1_32 N_GB1_33 1 0.000000e+00 1.488083e-06 ; 2.912151e-01 -1.488083e-06 6.437760e-02 5.107272e-02 0.004395 0.001132 True md_ensemble 5 271 276 - CD_GB1_32 CA_GB1_33 1 0.000000e+00 1.291692e-05 ; 3.486783e-01 -1.291692e-05 4.274207e-02 3.240290e-02 0.004395 0.001132 True md_ensemble 6 271 278 - CD_GB1_32 CB_GB1_33 1 0.000000e+00 6.338787e-06 ; 3.285959e-01 -6.338787e-06 5.495742e-03 6.257596e-03 0.004395 0.001132 True md_ensemble 7 271 279 - CD_GB1_32 CD1_GB1_33 1 0.000000e+00 2.686032e-06 ; 3.059057e-01 -2.686032e-06 5.407770e-03 3.906535e-02 0.004395 0.015243 True md_ensemble 7 271 281 - CD_GB1_32 CD2_GB1_33 1 0.000000e+00 2.686032e-06 ; 3.059057e-01 -2.686032e-06 5.407770e-03 3.906535e-02 0.004395 0.015243 True md_ensemble 7 271 282 - CD_GB1_32 CE1_GB1_33 1 0.000000e+00 2.713750e-06 ; 3.061676e-01 -2.713750e-06 4.492767e-03 4.881731e-02 0.004395 0.015243 True md_ensemble 7 271 283 - CD_GB1_32 CE2_GB1_33 1 0.000000e+00 2.713750e-06 ; 3.061676e-01 -2.713750e-06 4.492767e-03 4.881731e-02 0.004395 0.015243 True md_ensemble 7 271 284 - CD_GB1_32 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 292 + CG_GB1_32 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 481 + CG_GB1_32 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 486 + CG_GB1_32 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 487 + CG_GB1_32 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 488 + CG_GB1_32 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 489 + CG_GB1_32 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 490 + CG_GB1_32 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 270 491 + CD_GB1_32 C_GB1_32 1 0.000000e+00 2.326785e-06 ; 3.022674e-01 -2.326785e-06 7.126976e-01 6.081234e-01 0.004395 0.001132 True md_ensemble 4 271 274 + CD_GB1_32 O_GB1_32 1 0.000000e+00 7.518662e-07 ; 2.751102e-01 -7.518662e-07 1.800162e-01 8.923215e-02 0.004395 0.001132 True md_ensemble 5 271 275 + CD_GB1_32 N_GB1_33 1 0.000000e+00 1.488062e-06 ; 2.912148e-01 -1.488062e-06 6.437760e-02 5.107272e-02 0.004395 0.001132 True md_ensemble 5 271 276 + CD_GB1_32 CA_GB1_33 1 0.000000e+00 1.291685e-05 ; 3.486781e-01 -1.291685e-05 4.274207e-02 3.240290e-02 0.004395 0.001132 True md_ensemble 6 271 278 + CD_GB1_32 CB_GB1_33 1 0.000000e+00 6.338680e-06 ; 3.285955e-01 -6.338680e-06 5.495742e-03 6.257596e-03 0.004395 0.001132 True md_ensemble 7 271 279 + CD_GB1_32 CD1_GB1_33 1 0.000000e+00 2.685984e-06 ; 3.059053e-01 -2.685984e-06 5.407770e-03 3.906535e-02 0.004395 0.015243 True md_ensemble 7 271 281 + CD_GB1_32 CD2_GB1_33 1 0.000000e+00 2.685984e-06 ; 3.059053e-01 -2.685984e-06 5.407770e-03 3.906535e-02 0.004395 0.015243 True md_ensemble 7 271 282 + CD_GB1_32 CE1_GB1_33 1 0.000000e+00 2.713702e-06 ; 3.061671e-01 -2.713702e-06 4.492767e-03 4.881731e-02 0.004395 0.015243 True md_ensemble 7 271 283 + CD_GB1_32 CE2_GB1_33 1 0.000000e+00 2.713702e-06 ; 3.061671e-01 -2.713702e-06 4.492767e-03 4.881731e-02 0.004395 0.015243 True md_ensemble 7 271 284 + CD_GB1_32 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 292 CD_GB1_32 CA_GB1_35 1 4.729670e-03 6.020365e-05 ; 4.832056e-01 9.289211e-02 1.129009e-02 1.398123e-02 0.004395 0.008482 True md_ensemble 7 271 297 CD_GB1_32 CB_GB1_35 1 1.637349e-03 7.702799e-06 ; 4.093403e-01 8.701096e-02 7.819972e-02 1.447935e-02 0.004395 0.001132 True md_ensemble 7 271 298 CD_GB1_32 CG_GB1_35 1 2.398873e-03 1.121097e-05 ; 4.088895e-01 1.283250e-01 1.361273e-02 1.103977e-02 0.004395 0.011584 True md_ensemble 7 271 299 @@ -35731,42 +35731,42 @@ CE2_GB1_30 CZ_GB1_52 1 5.395557e-03 2.818291e-05 ; 4.165415e-01 2.582420e- CD_GB1_32 CG_GB1_36 1 3.189336e-03 1.204575e-05 ; 3.946289e-01 2.111090e-01 6.773594e-02 4.965785e-03 0.004395 0.011584 True md_ensemble 7 271 308 CD_GB1_32 OD1_GB1_36 1 1.130115e-03 1.680239e-06 ; 3.378377e-01 1.900263e-01 4.501380e-02 3.442611e-03 0.004395 0.011584 True md_ensemble 7 271 309 CD_GB1_32 OD2_GB1_36 1 1.130115e-03 1.680239e-06 ; 3.378377e-01 1.900263e-01 4.501380e-02 3.442611e-03 0.004395 0.011584 True md_ensemble 7 271 310 - CD_GB1_32 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 316 - CD_GB1_32 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 324 - CD_GB1_32 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 330 - CD_GB1_32 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 331 - CD_GB1_32 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 332 - CD_GB1_32 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 338 - CD_GB1_32 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 346 - CD_GB1_32 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 352 - CD_GB1_32 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 353 - CD_GB1_32 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 362 - CD_GB1_32 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 377 - CD_GB1_32 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 379 - CD_GB1_32 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 385 - CD_GB1_32 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 398 - CD_GB1_32 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 407 - CD_GB1_32 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 416 - CD_GB1_32 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 422 - CD_GB1_32 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 424 - CD_GB1_32 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 430 - CD_GB1_32 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 431 - CD_GB1_32 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 432 - CD_GB1_32 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 433 - CD_GB1_32 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 440 - CD_GB1_32 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 442 - CD_GB1_32 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 448 - CD_GB1_32 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 460 - CD_GB1_32 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 462 - CD_GB1_32 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 468 - CD_GB1_32 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 469 - CD_GB1_32 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 470 - CD_GB1_32 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 476 - CD_GB1_32 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 478 - CD_GB1_32 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 484 - CD_GB1_32 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 485 + CD_GB1_32 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 316 + CD_GB1_32 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 324 + CD_GB1_32 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 330 + CD_GB1_32 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 331 + CD_GB1_32 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 332 + CD_GB1_32 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 338 + CD_GB1_32 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 346 + CD_GB1_32 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 352 + CD_GB1_32 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 353 + CD_GB1_32 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 362 + CD_GB1_32 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 377 + CD_GB1_32 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 379 + CD_GB1_32 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 385 + CD_GB1_32 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 398 + CD_GB1_32 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 407 + CD_GB1_32 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 416 + CD_GB1_32 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 422 + CD_GB1_32 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 424 + CD_GB1_32 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 430 + CD_GB1_32 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 431 + CD_GB1_32 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 432 + CD_GB1_32 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 433 + CD_GB1_32 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 440 + CD_GB1_32 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 442 + CD_GB1_32 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 448 + CD_GB1_32 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 460 + CD_GB1_32 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 462 + CD_GB1_32 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 468 + CD_GB1_32 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 469 + CD_GB1_32 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 470 + CD_GB1_32 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 476 + CD_GB1_32 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 478 + CD_GB1_32 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 484 + CD_GB1_32 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 271 485 OE1_GB1_32 OE1_GB1_32 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 272 272 -OE1_GB1_32 C_GB1_32 1 0.000000e+00 7.670933e-07 ; 2.755703e-01 -7.670933e-07 1.032025e-01 3.082804e-02 0.004395 0.001132 True md_ensemble 5 272 274 +OE1_GB1_32 C_GB1_32 1 0.000000e+00 7.670898e-07 ; 2.755702e-01 -7.670898e-07 1.032025e-01 3.082804e-02 0.004395 0.001132 True md_ensemble 5 272 274 OE1_GB1_32 O_GB1_32 1 0.000000e+00 1.380684e-06 ; 2.894029e-01 -1.380684e-06 1.297482e-01 5.020438e-02 0.004395 0.001132 True md_ensemble 6 272 275 OE1_GB1_32 N_GB1_33 1 0.000000e+00 1.495942e-06 ; 2.913430e-01 -1.495942e-06 1.818285e-02 1.547772e-02 0.004395 0.001132 True md_ensemble 6 272 276 OE1_GB1_32 H_GB1_33 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 272 277 @@ -35875,17 +35875,17 @@ OE1_GB1_32 OE1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- OE1_GB1_32 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 272 488 OE1_GB1_32 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 272 490 OE1_GB1_32 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 272 491 -NE2_GB1_32 C_GB1_32 1 0.000000e+00 2.377939e-06 ; 3.028157e-01 -2.377939e-06 2.504359e-01 1.659567e-01 0.004395 0.001132 True md_ensemble 5 273 274 +NE2_GB1_32 C_GB1_32 1 0.000000e+00 2.377923e-06 ; 3.028155e-01 -2.377923e-06 2.504359e-01 1.659567e-01 0.004395 0.001132 True md_ensemble 5 273 274 NE2_GB1_32 O_GB1_32 1 1.185482e-04 4.075120e-08 ; 2.646718e-01 8.621628e-02 1.361106e-01 2.559325e-02 0.004395 0.001132 True md_ensemble 6 273 275 -NE2_GB1_32 N_GB1_33 1 0.000000e+00 1.480482e-06 ; 2.910909e-01 -1.480482e-06 2.984619e-02 1.195777e-02 0.004395 0.001132 True md_ensemble 6 273 276 +NE2_GB1_32 N_GB1_33 1 0.000000e+00 1.480477e-06 ; 2.910908e-01 -1.480477e-06 2.984619e-02 1.195777e-02 0.004395 0.001132 True md_ensemble 6 273 276 NE2_GB1_32 CA_GB1_33 1 2.657126e-03 1.059851e-05 ; 3.982344e-01 1.665403e-01 5.127078e-02 1.523198e-02 0.004395 0.008483 True md_ensemble 7 273 278 -NE2_GB1_32 CB_GB1_33 1 0.000000e+00 6.331453e-06 ; 3.285642e-01 -6.331453e-06 5.685680e-03 5.754757e-03 0.004395 0.001132 True md_ensemble 7 273 279 -NE2_GB1_32 CD1_GB1_33 1 0.000000e+00 2.661698e-06 ; 3.056738e-01 -2.661698e-06 6.886442e-03 3.165621e-02 0.004395 0.015244 True md_ensemble 7 273 281 -NE2_GB1_32 CD2_GB1_33 1 0.000000e+00 2.661698e-06 ; 3.056738e-01 -2.661698e-06 6.886442e-03 3.165621e-02 0.004395 0.015244 True md_ensemble 7 273 282 -NE2_GB1_32 CE1_GB1_33 1 0.000000e+00 2.706447e-06 ; 3.060988e-01 -2.706447e-06 8.569077e-03 5.056764e-02 0.004395 0.015244 True md_ensemble 7 273 283 -NE2_GB1_32 CE2_GB1_33 1 0.000000e+00 2.706447e-06 ; 3.060988e-01 -2.706447e-06 8.569077e-03 5.056764e-02 0.004395 0.015244 True md_ensemble 7 273 284 -NE2_GB1_32 CZ_GB1_33 1 0.000000e+00 2.710282e-06 ; 3.061349e-01 -2.710282e-06 7.235452e-03 5.071031e-02 0.004395 0.015244 True md_ensemble 7 273 285 -NE2_GB1_32 CB_GB1_34 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 292 +NE2_GB1_32 CB_GB1_33 1 0.000000e+00 6.331418e-06 ; 3.285641e-01 -6.331418e-06 5.685680e-03 5.754757e-03 0.004395 0.001132 True md_ensemble 7 273 279 +NE2_GB1_32 CD1_GB1_33 1 0.000000e+00 2.661680e-06 ; 3.056736e-01 -2.661680e-06 6.886442e-03 3.165621e-02 0.004395 0.015244 True md_ensemble 7 273 281 +NE2_GB1_32 CD2_GB1_33 1 0.000000e+00 2.661680e-06 ; 3.056736e-01 -2.661680e-06 6.886442e-03 3.165621e-02 0.004395 0.015244 True md_ensemble 7 273 282 +NE2_GB1_32 CE1_GB1_33 1 0.000000e+00 2.706429e-06 ; 3.060986e-01 -2.706429e-06 8.569077e-03 5.056764e-02 0.004395 0.015244 True md_ensemble 7 273 283 +NE2_GB1_32 CE2_GB1_33 1 0.000000e+00 2.706429e-06 ; 3.060986e-01 -2.706429e-06 8.569077e-03 5.056764e-02 0.004395 0.015244 True md_ensemble 7 273 284 +NE2_GB1_32 CZ_GB1_33 1 0.000000e+00 2.710264e-06 ; 3.061348e-01 -2.710264e-06 7.235452e-03 5.071031e-02 0.004395 0.015244 True md_ensemble 7 273 285 +NE2_GB1_32 CB_GB1_34 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 292 NE2_GB1_32 CA_GB1_35 1 5.773364e-03 4.712705e-05 ; 4.487181e-01 1.768185e-01 6.477749e-02 1.576847e-02 0.004395 0.008483 True md_ensemble 7 273 297 NE2_GB1_32 CB_GB1_35 1 8.039237e-04 1.665319e-06 ; 3.570375e-01 9.702243e-02 1.017718e-01 1.552012e-02 0.004395 0.001132 True md_ensemble 7 273 298 NE2_GB1_32 CG_GB1_35 1 1.588176e-03 3.856124e-06 ; 3.666137e-01 1.635258e-01 3.022444e-02 1.300025e-02 0.004395 0.011584 True md_ensemble 7 273 299 @@ -35898,50 +35898,50 @@ NE2_GB1_32 CB_GB1_36 1 1.249729e-03 2.970473e-06 ; 3.653157e-01 1.314455e- NE2_GB1_32 CG_GB1_36 1 6.613391e-04 4.776612e-07 ; 2.995362e-01 2.289119e-01 9.564972e-02 8.249659e-03 0.004395 0.011584 True md_ensemble 7 273 308 NE2_GB1_32 OD1_GB1_36 1 2.354681e-04 6.429241e-08 ; 2.547053e-01 2.155979e-01 7.389356e-02 5.923190e-03 0.004395 0.011584 True md_ensemble 7 273 309 NE2_GB1_32 OD2_GB1_36 1 2.354681e-04 6.429241e-08 ; 2.547053e-01 2.155979e-01 7.389356e-02 5.923190e-03 0.004395 0.011584 True md_ensemble 7 273 310 -NE2_GB1_32 CB_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 316 -NE2_GB1_32 CA_GB1_38 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 324 -NE2_GB1_32 CB_GB1_39 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 330 -NE2_GB1_32 CG1_GB1_39 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 331 -NE2_GB1_32 CG2_GB1_39 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 332 -NE2_GB1_32 CB_GB1_40 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 338 -NE2_GB1_32 CA_GB1_41 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 346 -NE2_GB1_32 CB_GB1_42 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 352 -NE2_GB1_32 CG_GB1_42 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 353 -NE2_GB1_32 CB_GB1_43 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 362 -NE2_GB1_32 CB_GB1_44 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 377 -NE2_GB1_32 CG2_GB1_44 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 379 -NE2_GB1_32 CB_GB1_45 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 385 -NE2_GB1_32 CB_GB1_46 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 398 -NE2_GB1_32 CB_GB1_47 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 407 -NE2_GB1_32 CB_GB1_48 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 416 -NE2_GB1_32 CB_GB1_49 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 422 -NE2_GB1_32 CG2_GB1_49 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 424 -NE2_GB1_32 CB_GB1_50 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 430 -NE2_GB1_32 CG_GB1_50 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 431 -NE2_GB1_32 CD_GB1_50 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 432 -NE2_GB1_32 CE_GB1_50 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 433 -NE2_GB1_32 CB_GB1_51 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 440 -NE2_GB1_32 CG2_GB1_51 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 442 -NE2_GB1_32 CB_GB1_52 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 448 -NE2_GB1_32 CB_GB1_53 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 460 -NE2_GB1_32 CG2_GB1_53 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 462 -NE2_GB1_32 CB_GB1_54 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 468 -NE2_GB1_32 CG1_GB1_54 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 469 -NE2_GB1_32 CG2_GB1_54 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 470 -NE2_GB1_32 CB_GB1_55 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 476 -NE2_GB1_32 CG2_GB1_55 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 478 -NE2_GB1_32 CB_GB1_56 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 484 -NE2_GB1_32 CG_GB1_56 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 485 - C_GB1_32 CB_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 279 - C_GB1_32 CG_GB1_33 1 0.000000e+00 3.666542e-06 ; 3.139422e-01 -3.666542e-06 5.358732e-01 9.468578e-01 0.004395 0.001132 True md_ensemble 4 274 280 - C_GB1_32 CD1_GB1_33 1 0.000000e+00 4.055720e-06 ; 3.165925e-01 -4.055720e-06 3.306081e-02 5.938116e-01 0.004395 0.001132 True md_ensemble 5 274 281 - C_GB1_32 CD2_GB1_33 1 0.000000e+00 4.055720e-06 ; 3.165925e-01 -4.055720e-06 3.306081e-02 5.938116e-01 0.004395 0.001132 True md_ensemble 5 274 282 - C_GB1_32 CE1_GB1_33 1 0.000000e+00 3.042031e-06 ; 3.090950e-01 -3.042031e-06 4.999657e-03 1.756556e-01 0.004395 0.001132 True md_ensemble 6 274 283 - C_GB1_32 CE2_GB1_33 1 0.000000e+00 3.042031e-06 ; 3.090950e-01 -3.042031e-06 4.999657e-03 1.756556e-01 0.004395 0.001132 True md_ensemble 6 274 284 - C_GB1_32 O_GB1_33 1 0.000000e+00 7.119807e-07 ; 2.738634e-01 -7.119807e-07 9.981773e-01 8.591566e-01 0.004395 0.001132 True md_ensemble 4 274 288 - C_GB1_32 N_GB1_34 1 0.000000e+00 1.446403e-06 ; 2.905265e-01 -1.446403e-06 9.999951e-01 9.590536e-01 0.004395 0.001132 True md_ensemble 4 274 289 - C_GB1_32 CA_GB1_34 1 0.000000e+00 1.057902e-05 ; 3.429247e-01 -1.057902e-05 9.995569e-01 8.100938e-01 0.004395 0.001132 True md_ensemble 5 274 291 - C_GB1_32 CB_GB1_34 1 0.000000e+00 4.475604e-06 ; 3.192023e-01 -4.475604e-06 2.523025e-01 1.992966e-01 0.004395 0.001132 True md_ensemble 6 274 292 +NE2_GB1_32 CB_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 316 +NE2_GB1_32 CA_GB1_38 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 324 +NE2_GB1_32 CB_GB1_39 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 330 +NE2_GB1_32 CG1_GB1_39 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 331 +NE2_GB1_32 CG2_GB1_39 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 332 +NE2_GB1_32 CB_GB1_40 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 338 +NE2_GB1_32 CA_GB1_41 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 346 +NE2_GB1_32 CB_GB1_42 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 352 +NE2_GB1_32 CG_GB1_42 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 353 +NE2_GB1_32 CB_GB1_43 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 362 +NE2_GB1_32 CB_GB1_44 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 377 +NE2_GB1_32 CG2_GB1_44 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 379 +NE2_GB1_32 CB_GB1_45 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 385 +NE2_GB1_32 CB_GB1_46 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 398 +NE2_GB1_32 CB_GB1_47 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 407 +NE2_GB1_32 CB_GB1_48 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 416 +NE2_GB1_32 CB_GB1_49 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 422 +NE2_GB1_32 CG2_GB1_49 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 424 +NE2_GB1_32 CB_GB1_50 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 430 +NE2_GB1_32 CG_GB1_50 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 431 +NE2_GB1_32 CD_GB1_50 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 432 +NE2_GB1_32 CE_GB1_50 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 433 +NE2_GB1_32 CB_GB1_51 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 440 +NE2_GB1_32 CG2_GB1_51 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 442 +NE2_GB1_32 CB_GB1_52 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 448 +NE2_GB1_32 CB_GB1_53 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 460 +NE2_GB1_32 CG2_GB1_53 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 462 +NE2_GB1_32 CB_GB1_54 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 468 +NE2_GB1_32 CG1_GB1_54 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 469 +NE2_GB1_32 CG2_GB1_54 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 470 +NE2_GB1_32 CB_GB1_55 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 476 +NE2_GB1_32 CG2_GB1_55 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 478 +NE2_GB1_32 CB_GB1_56 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 484 +NE2_GB1_32 CG_GB1_56 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 273 485 + C_GB1_32 CB_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 279 + C_GB1_32 CG_GB1_33 1 0.000000e+00 3.666477e-06 ; 3.139418e-01 -3.666477e-06 5.358732e-01 9.468578e-01 0.004395 0.001132 True md_ensemble 4 274 280 + C_GB1_32 CD1_GB1_33 1 0.000000e+00 4.055648e-06 ; 3.165921e-01 -4.055648e-06 3.306081e-02 5.938116e-01 0.004395 0.001132 True md_ensemble 5 274 281 + C_GB1_32 CD2_GB1_33 1 0.000000e+00 4.055648e-06 ; 3.165921e-01 -4.055648e-06 3.306081e-02 5.938116e-01 0.004395 0.001132 True md_ensemble 5 274 282 + C_GB1_32 CE1_GB1_33 1 0.000000e+00 3.041978e-06 ; 3.090945e-01 -3.041978e-06 4.999657e-03 1.756556e-01 0.004395 0.001132 True md_ensemble 6 274 283 + C_GB1_32 CE2_GB1_33 1 0.000000e+00 3.041978e-06 ; 3.090945e-01 -3.041978e-06 4.999657e-03 1.756556e-01 0.004395 0.001132 True md_ensemble 6 274 284 + C_GB1_32 O_GB1_33 1 0.000000e+00 7.119774e-07 ; 2.738633e-01 -7.119774e-07 9.981773e-01 8.591566e-01 0.004395 0.001132 True md_ensemble 4 274 288 + C_GB1_32 N_GB1_34 1 0.000000e+00 1.446383e-06 ; 2.905262e-01 -1.446383e-06 9.999951e-01 9.590536e-01 0.004395 0.001132 True md_ensemble 4 274 289 + C_GB1_32 CA_GB1_34 1 0.000000e+00 1.057896e-05 ; 3.429246e-01 -1.057896e-05 9.995569e-01 8.100938e-01 0.004395 0.001132 True md_ensemble 5 274 291 + C_GB1_32 CB_GB1_34 1 0.000000e+00 4.475545e-06 ; 3.192019e-01 -4.475545e-06 2.523025e-01 1.992966e-01 0.004395 0.001132 True md_ensemble 6 274 292 C_GB1_32 C_GB1_34 1 2.169251e-03 1.054323e-05 ; 4.115703e-01 1.115799e-01 8.298690e-01 9.544058e-02 0.004395 0.001132 True md_ensemble 6 274 293 C_GB1_32 N_GB1_35 1 1.425942e-03 2.308432e-06 ; 3.426646e-01 2.202046e-01 9.572497e-01 1.372440e-01 0.004395 0.011584 True md_ensemble 7 274 295 C_GB1_32 CA_GB1_35 1 3.901824e-03 1.862525e-05 ; 4.103355e-01 2.043494e-01 9.665842e-01 1.379886e-01 0.004395 0.008482 True md_ensemble 7 274 297 @@ -35956,52 +35956,52 @@ NE2_GB1_32 CG_GB1_56 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e- C_GB1_32 CG_GB1_36 1 3.899442e-03 1.298834e-05 ; 3.864487e-01 2.926788e-01 3.292092e-01 9.484672e-03 0.004395 0.011584 True md_ensemble 7 274 308 C_GB1_32 OD1_GB1_36 1 1.229286e-03 1.613227e-06 ; 3.308825e-01 2.341804e-01 1.059335e-01 6.773209e-03 0.004395 0.011584 True md_ensemble 7 274 309 C_GB1_32 OD2_GB1_36 1 1.229286e-03 1.613227e-06 ; 3.308825e-01 2.341804e-01 1.059335e-01 6.773209e-03 0.004395 0.011584 True md_ensemble 7 274 310 - C_GB1_32 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 316 + C_GB1_32 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 316 C_GB1_32 ND2_GB1_37 1 1.038228e-03 3.309860e-06 ; 3.836361e-01 8.141708e-02 5.483725e-03 5.083641e-03 0.004395 0.011584 True md_ensemble 7 274 319 - C_GB1_32 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 324 - C_GB1_32 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 330 - C_GB1_32 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 331 - C_GB1_32 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 332 - C_GB1_32 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 338 - C_GB1_32 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 346 - C_GB1_32 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 352 - C_GB1_32 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 353 - C_GB1_32 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 362 - C_GB1_32 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 377 - C_GB1_32 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 379 - C_GB1_32 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 385 - C_GB1_32 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 398 - C_GB1_32 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 407 - C_GB1_32 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 416 - C_GB1_32 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 422 - C_GB1_32 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 424 - C_GB1_32 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 430 - C_GB1_32 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 431 - C_GB1_32 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 432 - C_GB1_32 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 433 - C_GB1_32 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 440 - C_GB1_32 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 442 - C_GB1_32 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 448 - C_GB1_32 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 460 - C_GB1_32 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 462 - C_GB1_32 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 468 - C_GB1_32 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 469 - C_GB1_32 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 470 - C_GB1_32 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 476 - C_GB1_32 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 478 - C_GB1_32 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 484 - C_GB1_32 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 485 + C_GB1_32 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 324 + C_GB1_32 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 330 + C_GB1_32 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 331 + C_GB1_32 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 332 + C_GB1_32 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 338 + C_GB1_32 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 346 + C_GB1_32 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 352 + C_GB1_32 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 353 + C_GB1_32 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 362 + C_GB1_32 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 377 + C_GB1_32 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 379 + C_GB1_32 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 385 + C_GB1_32 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 398 + C_GB1_32 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 407 + C_GB1_32 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 416 + C_GB1_32 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 422 + C_GB1_32 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 424 + C_GB1_32 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 430 + C_GB1_32 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 431 + C_GB1_32 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 432 + C_GB1_32 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 433 + C_GB1_32 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 440 + C_GB1_32 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 442 + C_GB1_32 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 448 + C_GB1_32 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 460 + C_GB1_32 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 462 + C_GB1_32 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 468 + C_GB1_32 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 469 + C_GB1_32 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 470 + C_GB1_32 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 476 + C_GB1_32 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 478 + C_GB1_32 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 484 + C_GB1_32 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 274 485 O_GB1_32 O_GB1_32 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 275 275 O_GB1_32 H_GB1_33 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 275 277 - O_GB1_32 CB_GB1_33 1 0.000000e+00 2.015613e-06 ; 2.986727e-01 -2.015613e-06 9.999998e-01 9.999784e-01 0.004395 0.001132 True md_ensemble 4 275 279 - O_GB1_32 CG_GB1_33 1 0.000000e+00 1.193497e-06 ; 2.859105e-01 -1.193497e-06 7.387432e-03 4.506517e-01 0.004395 0.001132 True md_ensemble 5 275 280 - O_GB1_32 CD1_GB1_33 1 0.000000e+00 1.022438e-06 ; 2.822483e-01 -1.022438e-06 6.658035e-03 2.430647e-01 0.004395 0.001132 True md_ensemble 6 275 281 - O_GB1_32 CD2_GB1_33 1 0.000000e+00 1.022438e-06 ; 2.822483e-01 -1.022438e-06 6.658035e-03 2.430647e-01 0.004395 0.001132 True md_ensemble 6 275 282 - O_GB1_32 C_GB1_33 1 0.000000e+00 8.210895e-07 ; 2.771368e-01 -8.210895e-07 9.999879e-01 9.929096e-01 0.004395 0.001132 True md_ensemble 4 275 287 + O_GB1_32 CB_GB1_33 1 0.000000e+00 2.015606e-06 ; 2.986727e-01 -2.015606e-06 9.999998e-01 9.999784e-01 0.004395 0.001132 True md_ensemble 4 275 279 + O_GB1_32 CG_GB1_33 1 0.000000e+00 1.193492e-06 ; 2.859104e-01 -1.193492e-06 7.387432e-03 4.506517e-01 0.004395 0.001132 True md_ensemble 5 275 280 + O_GB1_32 CD1_GB1_33 1 0.000000e+00 1.022433e-06 ; 2.822482e-01 -1.022433e-06 6.658035e-03 2.430647e-01 0.004395 0.001132 True md_ensemble 6 275 281 + O_GB1_32 CD2_GB1_33 1 0.000000e+00 1.022433e-06 ; 2.822482e-01 -1.022433e-06 6.658035e-03 2.430647e-01 0.004395 0.001132 True md_ensemble 6 275 282 + O_GB1_32 C_GB1_33 1 0.000000e+00 8.210857e-07 ; 2.771367e-01 -8.210857e-07 9.999879e-01 9.929096e-01 0.004395 0.001132 True md_ensemble 4 275 287 O_GB1_32 O_GB1_33 1 0.000000e+00 1.179249e-06 ; 2.856245e-01 -1.179249e-06 9.981597e-01 7.843254e-01 0.004395 0.001132 True md_ensemble 5 275 288 O_GB1_32 N_GB1_34 1 0.000000e+00 1.305897e-06 ; 2.880630e-01 -1.305897e-06 9.940522e-01 8.646503e-01 0.004395 0.001132 True md_ensemble 5 275 289 - O_GB1_32 H_GB1_34 1 0.000000e+00 1.769808e-08 ; 2.012900e-01 -1.769808e-08 2.520565e-02 1.658253e-01 0.004395 0.001132 True md_ensemble 6 275 290 - O_GB1_32 CA_GB1_34 1 0.000000e+00 2.475854e-06 ; 3.038357e-01 -2.475854e-06 9.124997e-01 5.085891e-01 0.004395 0.001132 True md_ensemble 6 275 291 + O_GB1_32 H_GB1_34 1 0.000000e+00 1.769836e-08 ; 2.012903e-01 -1.769836e-08 2.520565e-02 1.658253e-01 0.004395 0.001132 True md_ensemble 6 275 290 + O_GB1_32 CA_GB1_34 1 0.000000e+00 2.475874e-06 ; 3.038359e-01 -2.475874e-06 9.124997e-01 5.085891e-01 0.004395 0.001132 True md_ensemble 6 275 291 O_GB1_32 CB_GB1_34 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 275 292 O_GB1_32 C_GB1_34 1 2.273903e-03 5.314750e-06 ; 3.642938e-01 2.432210e-01 6.340737e-01 5.819157e-02 0.004395 0.011584 True md_ensemble 7 275 293 O_GB1_32 O_GB1_34 1 0.000000e+00 1.556864e-06 ; 2.923137e-01 -1.556864e-06 2.818384e-02 6.609301e-02 0.004395 0.001132 True md_ensemble 7 275 294 @@ -36111,14 +36111,14 @@ NE2_GB1_32 CG_GB1_56 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e- O_GB1_32 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 275 488 O_GB1_32 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 275 490 O_GB1_32 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 275 491 - N_GB1_33 CB_GB1_33 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 279 - N_GB1_33 CD1_GB1_33 1 0.000000e+00 1.677200e-06 ; 2.941330e-01 -1.677200e-06 7.781640e-01 8.902556e-01 0.004395 0.001132 True md_ensemble 4 276 281 - N_GB1_33 CD2_GB1_33 1 0.000000e+00 1.677200e-06 ; 2.941330e-01 -1.677200e-06 7.781640e-01 8.902556e-01 0.004395 0.001132 True md_ensemble 4 276 282 - N_GB1_33 CE1_GB1_33 1 0.000000e+00 1.945173e-06 ; 2.977887e-01 -1.945173e-06 2.365622e-02 3.134318e-01 0.004395 0.001132 True md_ensemble 5 276 283 - N_GB1_33 CE2_GB1_33 1 0.000000e+00 1.945173e-06 ; 2.977887e-01 -1.945173e-06 2.365622e-02 3.134318e-01 0.004395 0.001132 True md_ensemble 5 276 284 + N_GB1_33 CB_GB1_33 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 279 + N_GB1_33 CD1_GB1_33 1 0.000000e+00 1.677176e-06 ; 2.941326e-01 -1.677176e-06 7.781640e-01 8.902556e-01 0.004395 0.001132 True md_ensemble 4 276 281 + N_GB1_33 CD2_GB1_33 1 0.000000e+00 1.677176e-06 ; 2.941326e-01 -1.677176e-06 7.781640e-01 8.902556e-01 0.004395 0.001132 True md_ensemble 4 276 282 + N_GB1_33 CE1_GB1_33 1 0.000000e+00 1.945146e-06 ; 2.977883e-01 -1.945146e-06 2.365622e-02 3.134318e-01 0.004395 0.001132 True md_ensemble 5 276 283 + N_GB1_33 CE2_GB1_33 1 0.000000e+00 1.945146e-06 ; 2.977883e-01 -1.945146e-06 2.365622e-02 3.134318e-01 0.004395 0.001132 True md_ensemble 5 276 284 N_GB1_33 CZ_GB1_33 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 5.228100e-04 2.762763e-02 0.004395 0.001132 True md_ensemble 6 276 285 - N_GB1_33 CA_GB1_34 1 0.000000e+00 7.574799e-06 ; 3.335103e-01 -7.574799e-06 1.000000e+00 9.999742e-01 0.004395 0.001132 True md_ensemble 4 276 291 - N_GB1_33 CB_GB1_34 1 0.000000e+00 2.061800e-06 ; 2.992372e-01 -2.061800e-06 5.471042e-01 2.987831e-01 0.004395 0.001132 True md_ensemble 5 276 292 + N_GB1_33 CA_GB1_34 1 0.000000e+00 7.574787e-06 ; 3.335103e-01 -7.574787e-06 1.000000e+00 9.999742e-01 0.004395 0.001132 True md_ensemble 4 276 291 + N_GB1_33 CB_GB1_34 1 0.000000e+00 2.061780e-06 ; 2.992369e-01 -2.061780e-06 5.471042e-01 2.987831e-01 0.004395 0.001132 True md_ensemble 5 276 292 N_GB1_33 C_GB1_34 1 2.184109e-03 1.065604e-05 ; 4.118322e-01 1.119161e-01 4.254634e-01 4.861332e-02 0.004395 0.001132 True md_ensemble 5 276 293 N_GB1_33 O_GB1_34 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 0.000000e+00 6.128911e-02 0.004395 0.001132 True md_ensemble 6 276 294 N_GB1_33 N_GB1_35 1 1.422242e-03 4.261806e-06 ; 3.796966e-01 1.186570e-01 7.244182e-01 7.263358e-02 0.004395 0.001132 True md_ensemble 6 276 295 @@ -36131,60 +36131,60 @@ NE2_GB1_32 CG_GB1_56 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e- N_GB1_33 OD1_GB1_36 1 1.990315e-03 5.065504e-06 ; 3.695020e-01 1.955063e-01 5.191804e-02 1.201448e-02 0.004395 0.011584 True md_ensemble 7 276 309 N_GB1_33 OD2_GB1_36 1 1.990315e-03 5.065504e-06 ; 3.695020e-01 1.955063e-01 5.191804e-02 1.201448e-02 0.004395 0.011584 True md_ensemble 7 276 310 N_GB1_33 N_GB1_37 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 276 313 - N_GB1_33 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 316 + N_GB1_33 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 316 N_GB1_33 N_GB1_38 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 276 322 - N_GB1_33 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 324 + N_GB1_33 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 324 N_GB1_33 N_GB1_39 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 276 327 - N_GB1_33 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 330 - N_GB1_33 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 331 - N_GB1_33 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 332 + N_GB1_33 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 330 + N_GB1_33 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 331 + N_GB1_33 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 332 N_GB1_33 N_GB1_40 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 276 335 - N_GB1_33 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 338 + N_GB1_33 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 338 N_GB1_33 N_GB1_41 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 9.983783e-05 0.004395 0.001132 True md_ensemble 7 276 344 - N_GB1_33 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 346 + N_GB1_33 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 346 N_GB1_33 N_GB1_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 276 349 - N_GB1_33 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 352 - N_GB1_33 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 353 + N_GB1_33 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 352 + N_GB1_33 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 353 N_GB1_33 N_GB1_43 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 276 359 - N_GB1_33 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 362 + N_GB1_33 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 362 N_GB1_33 N_GB1_44 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 276 374 - N_GB1_33 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 377 - N_GB1_33 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 379 + N_GB1_33 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 377 + N_GB1_33 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 379 N_GB1_33 N_GB1_45 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 276 382 - N_GB1_33 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 385 + N_GB1_33 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 385 N_GB1_33 N_GB1_46 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 276 395 - N_GB1_33 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 398 + N_GB1_33 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 398 N_GB1_33 N_GB1_47 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 276 404 - N_GB1_33 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 407 + N_GB1_33 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 407 N_GB1_33 N_GB1_48 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 276 413 - N_GB1_33 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 416 + N_GB1_33 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 416 N_GB1_33 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 276 419 - N_GB1_33 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 422 - N_GB1_33 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 424 + N_GB1_33 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 422 + N_GB1_33 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 424 N_GB1_33 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 276 427 - N_GB1_33 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 430 - N_GB1_33 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 431 - N_GB1_33 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 432 - N_GB1_33 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 433 + N_GB1_33 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 430 + N_GB1_33 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 431 + N_GB1_33 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 432 + N_GB1_33 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 433 N_GB1_33 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.971092e-05 0.004395 0.001132 True md_ensemble 7 276 434 N_GB1_33 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 276 437 - N_GB1_33 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 440 - N_GB1_33 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 442 + N_GB1_33 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 440 + N_GB1_33 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 442 N_GB1_33 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 276 445 - N_GB1_33 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 448 + N_GB1_33 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 448 N_GB1_33 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 276 457 - N_GB1_33 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 460 - N_GB1_33 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 462 + N_GB1_33 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 460 + N_GB1_33 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 462 N_GB1_33 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 276 465 - N_GB1_33 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 468 - N_GB1_33 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 469 - N_GB1_33 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 470 + N_GB1_33 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 468 + N_GB1_33 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 469 + N_GB1_33 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 470 N_GB1_33 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 276 473 - N_GB1_33 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 476 - N_GB1_33 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 478 + N_GB1_33 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 476 + N_GB1_33 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 478 N_GB1_33 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 276 481 - N_GB1_33 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 484 - N_GB1_33 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 485 + N_GB1_33 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 484 + N_GB1_33 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 276 485 H_GB1_33 H_GB1_33 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 277 277 H_GB1_33 OH_GB1_33 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 277 286 H_GB1_33 O_GB1_33 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 277 288 @@ -36255,15 +36255,15 @@ NE2_GB1_32 CG_GB1_56 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e- H_GB1_33 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 277 488 H_GB1_33 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 277 490 H_GB1_33 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 277 491 - CA_GB1_33 CE1_GB1_33 1 0.000000e+00 1.305179e-05 ; 3.489802e-01 -1.305179e-05 1.000000e+00 9.999942e-01 0.004395 0.001132 True md_ensemble 4 278 283 - CA_GB1_33 CE2_GB1_33 1 0.000000e+00 1.305179e-05 ; 3.489802e-01 -1.305179e-05 1.000000e+00 9.999942e-01 0.004395 0.001132 True md_ensemble 4 278 284 - CA_GB1_33 CZ_GB1_33 1 0.000000e+00 1.304662e-05 ; 3.489687e-01 -1.304662e-05 9.999809e-01 9.995793e-01 0.004395 0.001132 True md_ensemble 5 278 285 + CA_GB1_33 CE1_GB1_33 1 0.000000e+00 1.305172e-05 ; 3.489801e-01 -1.305172e-05 1.000000e+00 9.999942e-01 0.004395 0.001132 True md_ensemble 4 278 283 + CA_GB1_33 CE2_GB1_33 1 0.000000e+00 1.305172e-05 ; 3.489801e-01 -1.305172e-05 1.000000e+00 9.999942e-01 0.004395 0.001132 True md_ensemble 4 278 284 + CA_GB1_33 CZ_GB1_33 1 0.000000e+00 1.304656e-05 ; 3.489686e-01 -1.304656e-05 9.999809e-01 9.995793e-01 0.004395 0.001132 True md_ensemble 5 278 285 CA_GB1_33 OH_GB1_33 1 0.000000e+00 5.735738e-06 ; 3.258698e-01 -5.735738e-06 0.000000e+00 1.957784e-05 0.004395 0.001132 True md_ensemble 6 278 286 - CA_GB1_33 CB_GB1_34 1 0.000000e+00 2.373791e-05 ; 3.668162e-01 -2.373791e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 278 292 - CA_GB1_33 C_GB1_34 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 1.000000e+00 9.999993e-01 0.004395 0.001132 True md_ensemble 4 278 293 - CA_GB1_33 O_GB1_34 1 0.000000e+00 5.066012e-06 ; 3.225154e-01 -5.066012e-06 7.666876e-02 2.963675e-01 0.004395 0.001132 True md_ensemble 5 278 294 - CA_GB1_33 N_GB1_35 1 0.000000e+00 5.713492e-06 ; 3.257643e-01 -5.713492e-06 9.996433e-01 7.539002e-01 0.004395 0.001132 True md_ensemble 5 278 295 - CA_GB1_33 CA_GB1_35 1 0.000000e+00 4.832424e-05 ; 3.892023e-01 -4.832424e-05 9.977254e-01 7.348727e-01 0.004395 0.001132 True md_ensemble 6 278 297 + CA_GB1_33 CB_GB1_34 1 0.000000e+00 2.373790e-05 ; 3.668162e-01 -2.373790e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 278 292 + CA_GB1_33 C_GB1_34 1 0.000000e+00 1.305179e-05 ; 3.489802e-01 -1.305179e-05 1.000000e+00 9.999993e-01 0.004395 0.001132 True md_ensemble 4 278 293 + CA_GB1_33 O_GB1_34 1 0.000000e+00 5.066052e-06 ; 3.225157e-01 -5.066052e-06 7.666876e-02 2.963675e-01 0.004395 0.001132 True md_ensemble 5 278 294 + CA_GB1_33 N_GB1_35 1 0.000000e+00 5.713483e-06 ; 3.257642e-01 -5.713483e-06 9.996433e-01 7.539002e-01 0.004395 0.001132 True md_ensemble 5 278 295 + CA_GB1_33 CA_GB1_35 1 0.000000e+00 4.832459e-05 ; 3.892026e-01 -4.832459e-05 9.977254e-01 7.348727e-01 0.004395 0.001132 True md_ensemble 6 278 297 CA_GB1_33 CB_GB1_35 1 1.059736e-02 2.129134e-04 ; 5.213958e-01 1.318660e-01 5.935877e-01 2.897345e-01 0.004395 0.007117 True md_ensemble 7 278 298 CA_GB1_33 C_GB1_35 1 9.735251e-03 1.278217e-04 ; 4.857091e-01 1.853659e-01 6.155570e-01 1.269621e-01 0.004395 0.008482 True md_ensemble 7 278 302 CA_GB1_33 N_GB1_36 1 3.628273e-03 1.617908e-05 ; 4.057037e-01 2.034165e-01 9.820811e-01 1.427602e-01 0.004395 0.008482 True md_ensemble 7 278 304 @@ -36277,159 +36277,159 @@ NE2_GB1_32 CG_GB1_56 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e- CA_GB1_33 CA_GB1_37 1 2.827039e-02 8.112713e-04 ; 5.533149e-01 2.462848e-01 7.271803e-01 3.515891e-02 0.004395 0.006476 True md_ensemble 7 278 315 CA_GB1_33 CB_GB1_37 1 1.983436e-02 3.658347e-04 ; 5.140174e-01 2.688384e-01 7.576235e-01 2.599789e-02 0.004395 0.007117 True md_ensemble 7 278 316 CA_GB1_33 CG_GB1_37 1 1.408842e-02 1.782580e-04 ; 4.827228e-01 2.783655e-01 4.729747e-01 1.608330e-02 0.004395 0.008482 True md_ensemble 7 278 317 - CA_GB1_33 OD1_GB1_37 1 0.000000e+00 4.185159e-06 ; 3.174225e-01 -4.185159e-06 4.728962e-03 1.235241e-02 0.004395 0.008483 True md_ensemble 7 278 318 + CA_GB1_33 OD1_GB1_37 1 0.000000e+00 4.185192e-06 ; 3.174227e-01 -4.185192e-06 4.728962e-03 1.235241e-02 0.004395 0.008483 True md_ensemble 7 278 318 CA_GB1_33 ND2_GB1_37 1 4.253585e-03 1.540723e-05 ; 3.918876e-01 2.935795e-01 9.849662e-01 2.493994e-02 0.004395 0.008483 True md_ensemble 7 278 319 - CB_GB1_33 CZ_GB1_33 1 0.000000e+00 6.334004e-06 ; 3.285753e-01 -6.334004e-06 9.999932e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 279 285 - CB_GB1_33 OH_GB1_33 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 286 - CB_GB1_33 C_GB1_33 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 287 + CB_GB1_33 CZ_GB1_33 1 0.000000e+00 6.333898e-06 ; 3.285748e-01 -6.333898e-06 9.999932e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 279 285 + CB_GB1_33 OH_GB1_33 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 286 + CB_GB1_33 C_GB1_33 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 287 CB_GB1_33 O_GB1_33 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 288 - CB_GB1_33 N_GB1_34 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 289 - CB_GB1_33 CA_GB1_34 1 0.000000e+00 3.181372e-05 ; 3.758774e-01 -3.181372e-05 9.999980e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 279 291 - CB_GB1_33 CB_GB1_34 1 0.000000e+00 6.014820e-06 ; 3.271625e-01 -6.014820e-06 9.278109e-01 4.499393e-01 0.004395 0.001132 True md_ensemble 5 279 292 - CB_GB1_33 C_GB1_34 1 0.000000e+00 8.608245e-06 ; 3.370838e-01 -8.608245e-06 5.180304e-02 4.108650e-01 0.004395 0.001132 True md_ensemble 5 279 293 + CB_GB1_33 N_GB1_34 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 289 + CB_GB1_33 CA_GB1_34 1 0.000000e+00 3.181358e-05 ; 3.758773e-01 -3.181358e-05 9.999980e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 279 291 + CB_GB1_33 CB_GB1_34 1 0.000000e+00 6.014747e-06 ; 3.271622e-01 -6.014747e-06 9.278109e-01 4.499393e-01 0.004395 0.001132 True md_ensemble 5 279 292 + CB_GB1_33 C_GB1_34 1 0.000000e+00 8.608101e-06 ; 3.370833e-01 -8.608101e-06 5.180304e-02 4.108650e-01 0.004395 0.001132 True md_ensemble 5 279 293 CB_GB1_33 O_GB1_34 1 0.000000e+00 2.015656e-06 ; 2.986733e-01 -2.015656e-06 0.000000e+00 8.144094e-02 0.004395 0.001132 True md_ensemble 6 279 294 - CB_GB1_33 N_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 295 - CB_GB1_33 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 299 + CB_GB1_33 N_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 295 + CB_GB1_33 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 299 CB_GB1_33 OD1_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.050820e-02 0.004395 0.007862 True md_ensemble 7 279 300 - CB_GB1_33 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 301 - CB_GB1_33 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 302 + CB_GB1_33 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 301 + CB_GB1_33 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 302 CB_GB1_33 O_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 8.232011e-02 0.004395 0.007862 True md_ensemble 7 279 303 - CB_GB1_33 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 304 - CB_GB1_33 CA_GB1_36 1 0.000000e+00 3.483727e-05 ; 3.787320e-01 -3.483727e-05 3.446641e-02 1.295078e-01 0.004395 0.007117 True md_ensemble 7 279 306 + CB_GB1_33 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 304 + CB_GB1_33 CA_GB1_36 1 0.000000e+00 3.483712e-05 ; 3.787319e-01 -3.483712e-05 3.446641e-02 1.295078e-01 0.004395 0.007117 True md_ensemble 7 279 306 CB_GB1_33 CB_GB1_36 1 8.054635e-03 1.030600e-04 ; 4.836235e-01 1.573771e-01 3.611166e-01 1.187329e-01 0.004395 0.007860 True md_ensemble 7 279 307 - CB_GB1_33 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 308 - CB_GB1_33 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 309 - CB_GB1_33 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 310 - CB_GB1_33 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 311 + CB_GB1_33 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 308 + CB_GB1_33 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 309 + CB_GB1_33 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 310 + CB_GB1_33 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 311 CB_GB1_33 O_GB1_36 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.698714e-02 0.004395 0.007862 True md_ensemble 7 279 312 - CB_GB1_33 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 313 - CB_GB1_33 CG_GB1_37 1 0.000000e+00 6.408718e-06 ; 3.288965e-01 -6.408718e-06 5.987697e-03 1.779029e-02 0.004395 0.001132 True md_ensemble 7 279 317 + CB_GB1_33 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 313 + CB_GB1_33 CG_GB1_37 1 0.000000e+00 6.408611e-06 ; 3.288961e-01 -6.408611e-06 5.987697e-03 1.779029e-02 0.004395 0.001132 True md_ensemble 7 279 317 CB_GB1_33 OD1_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 2.250350e-03 1.321278e-02 0.004395 0.007862 True md_ensemble 7 279 318 CB_GB1_33 ND2_GB1_37 1 4.264020e-03 2.383363e-05 ; 4.212713e-01 1.907165e-01 9.029613e-01 2.239868e-02 0.004395 0.001132 True md_ensemble 7 279 319 - CB_GB1_33 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 320 + CB_GB1_33 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 320 CB_GB1_33 O_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.176178e-03 0.004395 0.007862 True md_ensemble 7 279 321 - CB_GB1_33 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 322 - CB_GB1_33 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 325 + CB_GB1_33 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 322 + CB_GB1_33 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 325 CB_GB1_33 O_GB1_38 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.397850e-03 0.004395 0.007862 True md_ensemble 7 279 326 - CB_GB1_33 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 327 - CB_GB1_33 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 333 + CB_GB1_33 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 327 + CB_GB1_33 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 333 CB_GB1_33 O_GB1_39 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.253201e-03 0.004395 0.007862 True md_ensemble 7 279 334 - CB_GB1_33 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 335 - CB_GB1_33 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 339 - CB_GB1_33 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 340 - CB_GB1_33 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 341 - CB_GB1_33 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 342 + CB_GB1_33 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 335 + CB_GB1_33 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 339 + CB_GB1_33 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 340 + CB_GB1_33 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 341 + CB_GB1_33 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 342 CB_GB1_33 O_GB1_40 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.507512e-03 0.004395 0.007862 True md_ensemble 7 279 343 - CB_GB1_33 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 344 - CB_GB1_33 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 347 + CB_GB1_33 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 344 + CB_GB1_33 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 347 CB_GB1_33 O_GB1_41 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.527591e-03 0.004395 0.007862 True md_ensemble 7 279 348 - CB_GB1_33 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 349 - CB_GB1_33 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 354 - CB_GB1_33 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 355 - CB_GB1_33 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 356 - CB_GB1_33 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 357 + CB_GB1_33 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 349 + CB_GB1_33 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 354 + CB_GB1_33 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 355 + CB_GB1_33 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 356 + CB_GB1_33 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 357 CB_GB1_33 O_GB1_42 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.331421e-04 0.004395 0.007862 True md_ensemble 7 279 358 - CB_GB1_33 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 359 - CB_GB1_33 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 366 - CB_GB1_33 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 372 + CB_GB1_33 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 359 + CB_GB1_33 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 366 + CB_GB1_33 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 372 CB_GB1_33 O_GB1_43 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.332328e-03 0.004395 0.007862 True md_ensemble 7 279 373 - CB_GB1_33 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 374 - CB_GB1_33 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 378 - CB_GB1_33 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 380 + CB_GB1_33 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 374 + CB_GB1_33 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 378 + CB_GB1_33 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 380 CB_GB1_33 O_GB1_44 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.996491e-04 0.004395 0.007862 True md_ensemble 7 279 381 - CB_GB1_33 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 382 - CB_GB1_33 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 392 - CB_GB1_33 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 393 + CB_GB1_33 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 382 + CB_GB1_33 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 392 + CB_GB1_33 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 393 CB_GB1_33 O_GB1_45 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.812653e-04 0.004395 0.007862 True md_ensemble 7 279 394 - CB_GB1_33 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 395 - CB_GB1_33 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 399 - CB_GB1_33 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 400 - CB_GB1_33 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 401 - CB_GB1_33 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 402 + CB_GB1_33 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 395 + CB_GB1_33 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 399 + CB_GB1_33 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 400 + CB_GB1_33 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 401 + CB_GB1_33 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 402 CB_GB1_33 O_GB1_46 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.552232e-04 0.004395 0.007862 True md_ensemble 7 279 403 - CB_GB1_33 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 404 - CB_GB1_33 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 408 - CB_GB1_33 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 409 - CB_GB1_33 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 410 - CB_GB1_33 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 411 + CB_GB1_33 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 404 + CB_GB1_33 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 408 + CB_GB1_33 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 409 + CB_GB1_33 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 410 + CB_GB1_33 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 411 CB_GB1_33 O_GB1_47 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 279 412 - CB_GB1_33 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 413 - CB_GB1_33 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 417 + CB_GB1_33 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 413 + CB_GB1_33 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 417 CB_GB1_33 O_GB1_48 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.990644e-04 0.004395 0.007862 True md_ensemble 7 279 418 - CB_GB1_33 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 419 - CB_GB1_33 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 423 - CB_GB1_33 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 425 + CB_GB1_33 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 419 + CB_GB1_33 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 423 + CB_GB1_33 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 425 CB_GB1_33 O_GB1_49 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.136039e-04 0.004395 0.007862 True md_ensemble 7 279 426 - CB_GB1_33 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 427 - CB_GB1_33 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 434 - CB_GB1_33 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 435 + CB_GB1_33 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 427 + CB_GB1_33 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 434 + CB_GB1_33 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 435 CB_GB1_33 O_GB1_50 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.552225e-04 0.004395 0.007862 True md_ensemble 7 279 436 - CB_GB1_33 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 437 - CB_GB1_33 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 441 - CB_GB1_33 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 443 + CB_GB1_33 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 437 + CB_GB1_33 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 441 + CB_GB1_33 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 443 CB_GB1_33 O_GB1_51 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.557031e-04 0.004395 0.007862 True md_ensemble 7 279 444 - CB_GB1_33 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 445 - CB_GB1_33 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 455 + CB_GB1_33 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 445 + CB_GB1_33 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 455 CB_GB1_33 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.121188e-04 0.004395 0.007862 True md_ensemble 7 279 456 - CB_GB1_33 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 457 - CB_GB1_33 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 461 - CB_GB1_33 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 463 + CB_GB1_33 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 457 + CB_GB1_33 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 461 + CB_GB1_33 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 463 CB_GB1_33 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.109509e-04 0.004395 0.007862 True md_ensemble 7 279 464 - CB_GB1_33 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 465 - CB_GB1_33 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 471 + CB_GB1_33 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 465 + CB_GB1_33 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 471 CB_GB1_33 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.998314e-04 0.004395 0.007862 True md_ensemble 7 279 472 - CB_GB1_33 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 473 - CB_GB1_33 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 477 - CB_GB1_33 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 479 + CB_GB1_33 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 473 + CB_GB1_33 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 477 + CB_GB1_33 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 479 CB_GB1_33 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.953855e-04 0.004395 0.007862 True md_ensemble 7 279 480 - CB_GB1_33 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 481 - CB_GB1_33 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 486 - CB_GB1_33 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 487 - CB_GB1_33 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 488 - CB_GB1_33 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 489 - CB_GB1_33 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 490 - CB_GB1_33 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 491 - CG_GB1_33 OH_GB1_33 1 0.000000e+00 1.141965e-06 ; 2.848608e-01 -1.141965e-06 9.999963e-01 9.999997e-01 0.004395 0.001132 True md_ensemble 4 280 286 - CG_GB1_33 O_GB1_33 1 0.000000e+00 5.291392e-07 ; 2.671730e-01 -5.291392e-07 9.688119e-01 6.086859e-01 0.004395 0.001132 True md_ensemble 4 280 288 - CG_GB1_33 N_GB1_34 1 0.000000e+00 1.057438e-06 ; 2.830412e-01 -1.057438e-06 9.893426e-01 6.904925e-01 0.004395 0.001132 True md_ensemble 4 280 289 - CG_GB1_33 CA_GB1_34 1 0.000000e+00 4.949425e-06 ; 3.218903e-01 -4.949425e-06 9.430106e-01 3.222227e-01 0.004395 0.001132 True md_ensemble 5 280 291 + CB_GB1_33 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 481 + CB_GB1_33 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 486 + CB_GB1_33 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 487 + CB_GB1_33 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 488 + CB_GB1_33 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 489 + CB_GB1_33 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 490 + CB_GB1_33 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 279 491 + CG_GB1_33 OH_GB1_33 1 0.000000e+00 1.141946e-06 ; 2.848604e-01 -1.141946e-06 9.999963e-01 9.999997e-01 0.004395 0.001132 True md_ensemble 4 280 286 + CG_GB1_33 O_GB1_33 1 0.000000e+00 5.291368e-07 ; 2.671729e-01 -5.291368e-07 9.688119e-01 6.086859e-01 0.004395 0.001132 True md_ensemble 4 280 288 + CG_GB1_33 N_GB1_34 1 0.000000e+00 1.057423e-06 ; 2.830408e-01 -1.057423e-06 9.893426e-01 6.904925e-01 0.004395 0.001132 True md_ensemble 4 280 289 + CG_GB1_33 CA_GB1_34 1 0.000000e+00 4.949399e-06 ; 3.218902e-01 -4.949399e-06 9.430106e-01 3.222227e-01 0.004395 0.001132 True md_ensemble 5 280 291 CG_GB1_33 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 3.206543e-01 -4.726116e-06 4.306687e-03 3.654419e-02 0.004395 0.001132 True md_ensemble 6 280 292 CG_GB1_33 C_GB1_34 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 0.000000e+00 5.947110e-02 0.004395 0.001132 True md_ensemble 6 280 293 CG_GB1_33 CB_GB1_36 1 4.165373e-03 3.698036e-05 ; 4.550434e-01 1.172942e-01 4.582264e-02 5.065614e-02 0.004395 0.012152 True md_ensemble 7 280 307 CG_GB1_33 CB_GB1_37 1 6.672756e-03 6.582762e-05 ; 4.631096e-01 1.690995e-01 3.000433e-02 1.003077e-02 0.004395 0.012152 True md_ensemble 7 280 316 CG_GB1_33 CG_GB1_37 1 6.021423e-03 3.514823e-05 ; 4.243270e-01 2.578902e-01 1.677345e-01 7.806084e-03 0.004395 0.015243 True md_ensemble 7 280 317 CG_GB1_33 ND2_GB1_37 1 2.094158e-03 3.170751e-06 ; 3.388640e-01 3.457775e-01 9.214147e-01 1.382807e-02 0.004395 0.015244 True md_ensemble 7 280 319 -CD1_GB1_33 C_GB1_33 1 0.000000e+00 2.253980e-06 ; 3.014677e-01 -2.253980e-06 9.882694e-01 8.556617e-01 0.004395 0.001132 True md_ensemble 4 281 287 +CD1_GB1_33 C_GB1_33 1 0.000000e+00 2.253940e-06 ; 3.014673e-01 -2.253940e-06 9.882694e-01 8.556617e-01 0.004395 0.001132 True md_ensemble 4 281 287 CD1_GB1_33 O_GB1_33 1 2.350846e-04 1.788985e-07 ; 3.021554e-01 7.722925e-02 9.077789e-01 2.031731e-01 0.004395 0.001132 True md_ensemble 5 281 288 -CD1_GB1_33 N_GB1_34 1 0.000000e+00 9.553414e-07 ; 2.806564e-01 -9.553414e-07 6.081528e-01 2.416058e-01 0.004395 0.001132 True md_ensemble 5 281 289 -CD1_GB1_33 CA_GB1_34 1 0.000000e+00 7.638216e-06 ; 3.337421e-01 -7.638216e-06 6.009698e-01 1.861901e-01 0.004395 0.001132 True md_ensemble 6 281 291 +CD1_GB1_33 N_GB1_34 1 0.000000e+00 9.553279e-07 ; 2.806560e-01 -9.553279e-07 6.081528e-01 2.416058e-01 0.004395 0.001132 True md_ensemble 5 281 289 +CD1_GB1_33 CA_GB1_34 1 0.000000e+00 7.638177e-06 ; 3.337420e-01 -7.638177e-06 6.009698e-01 1.861901e-01 0.004395 0.001132 True md_ensemble 6 281 291 CD1_GB1_33 CB_GB1_34 1 4.118609e-03 2.913995e-05 ; 4.381502e-01 1.455299e-01 3.737237e-02 4.075059e-02 0.004395 0.020719 True md_ensemble 7 281 292 -CD1_GB1_33 CA_GB1_36 1 0.000000e+00 1.345534e-05 ; 3.498669e-01 -1.345534e-05 4.655930e-03 3.556939e-02 0.004395 0.010759 True md_ensemble 7 281 306 +CD1_GB1_33 CA_GB1_36 1 0.000000e+00 1.345527e-05 ; 3.498668e-01 -1.345527e-05 4.655930e-03 3.556939e-02 0.004395 0.010759 True md_ensemble 7 281 306 CD1_GB1_33 CB_GB1_36 1 2.946588e-03 1.681984e-05 ; 4.227502e-01 1.290496e-01 5.665740e-02 4.987147e-02 0.004395 0.012152 True md_ensemble 7 281 307 -CD1_GB1_33 CG_GB1_36 1 0.000000e+00 2.668994e-06 ; 3.057435e-01 -2.668994e-06 7.770475e-03 3.487148e-02 0.004395 0.015243 True md_ensemble 7 281 308 -CD1_GB1_33 OD1_GB1_36 1 0.000000e+00 6.801162e-07 ; 2.728205e-01 -6.801162e-07 5.557212e-03 2.156383e-02 0.004395 0.015244 True md_ensemble 7 281 309 -CD1_GB1_33 OD2_GB1_36 1 0.000000e+00 6.801162e-07 ; 2.728205e-01 -6.801162e-07 5.557212e-03 2.156383e-02 0.004395 0.015244 True md_ensemble 7 281 310 +CD1_GB1_33 CG_GB1_36 1 0.000000e+00 2.668947e-06 ; 3.057431e-01 -2.668947e-06 7.770475e-03 3.487148e-02 0.004395 0.015243 True md_ensemble 7 281 308 +CD1_GB1_33 OD1_GB1_36 1 0.000000e+00 6.801132e-07 ; 2.728204e-01 -6.801132e-07 5.557212e-03 2.156383e-02 0.004395 0.015244 True md_ensemble 7 281 309 +CD1_GB1_33 OD2_GB1_36 1 0.000000e+00 6.801132e-07 ; 2.728204e-01 -6.801132e-07 5.557212e-03 2.156383e-02 0.004395 0.015244 True md_ensemble 7 281 310 CD1_GB1_33 CB_GB1_37 1 7.843945e-03 5.836294e-05 ; 4.418421e-01 2.635554e-01 2.147089e-01 1.393732e-02 0.004395 0.012152 True md_ensemble 7 281 316 CD1_GB1_33 CG_GB1_37 1 4.570461e-03 1.706453e-05 ; 3.938726e-01 3.060312e-01 4.264532e-01 1.209245e-02 0.004395 0.015243 True md_ensemble 7 281 317 CD1_GB1_33 OD1_GB1_37 1 6.117543e-04 7.471024e-07 ; 3.269393e-01 1.252316e-01 1.282051e-02 1.026764e-02 0.004395 0.015244 True md_ensemble 7 281 318 CD1_GB1_33 ND2_GB1_37 1 1.294970e-03 1.230071e-06 ; 3.135295e-01 3.408230e-01 8.927452e-01 1.625810e-02 0.004395 0.015244 True md_ensemble 7 281 319 -CD2_GB1_33 C_GB1_33 1 0.000000e+00 2.253980e-06 ; 3.014677e-01 -2.253980e-06 9.882694e-01 8.556617e-01 0.004395 0.001132 True md_ensemble 4 282 287 +CD2_GB1_33 C_GB1_33 1 0.000000e+00 2.253940e-06 ; 3.014673e-01 -2.253940e-06 9.882694e-01 8.556617e-01 0.004395 0.001132 True md_ensemble 4 282 287 CD2_GB1_33 O_GB1_33 1 2.350846e-04 1.788985e-07 ; 3.021554e-01 7.722925e-02 9.077789e-01 2.031731e-01 0.004395 0.001132 True md_ensemble 5 282 288 -CD2_GB1_33 N_GB1_34 1 0.000000e+00 9.553414e-07 ; 2.806564e-01 -9.553414e-07 6.081528e-01 2.416058e-01 0.004395 0.001132 True md_ensemble 5 282 289 -CD2_GB1_33 CA_GB1_34 1 0.000000e+00 7.638216e-06 ; 3.337421e-01 -7.638216e-06 6.009698e-01 1.861901e-01 0.004395 0.001132 True md_ensemble 6 282 291 +CD2_GB1_33 N_GB1_34 1 0.000000e+00 9.553279e-07 ; 2.806560e-01 -9.553279e-07 6.081528e-01 2.416058e-01 0.004395 0.001132 True md_ensemble 5 282 289 +CD2_GB1_33 CA_GB1_34 1 0.000000e+00 7.638177e-06 ; 3.337420e-01 -7.638177e-06 6.009698e-01 1.861901e-01 0.004395 0.001132 True md_ensemble 6 282 291 CD2_GB1_33 CB_GB1_34 1 4.118609e-03 2.913995e-05 ; 4.381502e-01 1.455299e-01 3.737237e-02 4.075059e-02 0.004395 0.020719 True md_ensemble 7 282 292 -CD2_GB1_33 CA_GB1_36 1 0.000000e+00 1.345534e-05 ; 3.498669e-01 -1.345534e-05 4.655930e-03 3.556939e-02 0.004395 0.010759 True md_ensemble 7 282 306 +CD2_GB1_33 CA_GB1_36 1 0.000000e+00 1.345527e-05 ; 3.498668e-01 -1.345527e-05 4.655930e-03 3.556939e-02 0.004395 0.010759 True md_ensemble 7 282 306 CD2_GB1_33 CB_GB1_36 1 2.946588e-03 1.681984e-05 ; 4.227502e-01 1.290496e-01 5.665740e-02 4.987147e-02 0.004395 0.012152 True md_ensemble 7 282 307 -CD2_GB1_33 CG_GB1_36 1 0.000000e+00 2.668994e-06 ; 3.057435e-01 -2.668994e-06 7.770475e-03 3.487148e-02 0.004395 0.015243 True md_ensemble 7 282 308 -CD2_GB1_33 OD1_GB1_36 1 0.000000e+00 6.801162e-07 ; 2.728205e-01 -6.801162e-07 5.557212e-03 2.156383e-02 0.004395 0.015244 True md_ensemble 7 282 309 -CD2_GB1_33 OD2_GB1_36 1 0.000000e+00 6.801162e-07 ; 2.728205e-01 -6.801162e-07 5.557212e-03 2.156383e-02 0.004395 0.015244 True md_ensemble 7 282 310 +CD2_GB1_33 CG_GB1_36 1 0.000000e+00 2.668947e-06 ; 3.057431e-01 -2.668947e-06 7.770475e-03 3.487148e-02 0.004395 0.015243 True md_ensemble 7 282 308 +CD2_GB1_33 OD1_GB1_36 1 0.000000e+00 6.801132e-07 ; 2.728204e-01 -6.801132e-07 5.557212e-03 2.156383e-02 0.004395 0.015244 True md_ensemble 7 282 309 +CD2_GB1_33 OD2_GB1_36 1 0.000000e+00 6.801132e-07 ; 2.728204e-01 -6.801132e-07 5.557212e-03 2.156383e-02 0.004395 0.015244 True md_ensemble 7 282 310 CD2_GB1_33 CB_GB1_37 1 7.843945e-03 5.836294e-05 ; 4.418421e-01 2.635554e-01 2.147089e-01 1.393732e-02 0.004395 0.012152 True md_ensemble 7 282 316 CD2_GB1_33 CG_GB1_37 1 4.570461e-03 1.706453e-05 ; 3.938726e-01 3.060312e-01 4.264532e-01 1.209245e-02 0.004395 0.015243 True md_ensemble 7 282 317 CD2_GB1_33 OD1_GB1_37 1 6.117543e-04 7.471024e-07 ; 3.269393e-01 1.252316e-01 1.282051e-02 1.026764e-02 0.004395 0.015244 True md_ensemble 7 282 318 CD2_GB1_33 ND2_GB1_37 1 1.294970e-03 1.230071e-06 ; 3.135295e-01 3.408230e-01 8.927452e-01 1.625810e-02 0.004395 0.015244 True md_ensemble 7 282 319 CE1_GB1_33 C_GB1_33 1 1.425427e-03 6.354626e-06 ; 4.056868e-01 7.993554e-02 7.055500e-01 1.498416e-01 0.004395 0.001132 True md_ensemble 5 283 287 CE1_GB1_33 O_GB1_33 1 1.078982e-03 2.937967e-06 ; 3.736848e-01 9.906534e-02 3.974460e-01 5.825706e-02 0.004395 0.001132 True md_ensemble 6 283 288 -CE1_GB1_33 N_GB1_34 1 0.000000e+00 1.575884e-06 ; 2.926097e-01 -1.575884e-06 1.714021e-02 6.205306e-02 0.004395 0.001132 True md_ensemble 6 283 289 +CE1_GB1_33 N_GB1_34 1 0.000000e+00 1.575862e-06 ; 2.926093e-01 -1.575862e-06 1.714021e-02 6.205306e-02 0.004395 0.001132 True md_ensemble 6 283 289 CE1_GB1_33 CA_GB1_34 1 5.886202e-03 6.792609e-05 ; 4.753720e-01 1.275187e-01 1.018771e-01 8.178939e-02 0.004395 0.010759 True md_ensemble 7 283 291 CE1_GB1_33 CB_GB1_36 1 2.642100e-03 1.962173e-05 ; 4.417040e-01 8.894081e-02 1.577650e-02 3.021629e-02 0.004395 0.012152 True md_ensemble 7 283 307 CE1_GB1_33 CB_GB1_37 1 6.529801e-03 4.262805e-05 ; 4.323139e-01 2.500601e-01 1.577829e-01 1.330430e-02 0.004395 0.012152 True md_ensemble 7 283 316 @@ -36438,91 +36438,91 @@ CE1_GB1_33 OD1_GB1_37 1 1.134851e-03 1.360456e-06 ; 3.259300e-01 2.366646e- CE1_GB1_33 ND2_GB1_37 1 9.678075e-04 6.918082e-07 ; 2.990195e-01 3.384794e-01 8.918942e-01 1.699746e-02 0.004395 0.015244 True md_ensemble 7 283 319 CE2_GB1_33 C_GB1_33 1 1.425427e-03 6.354626e-06 ; 4.056868e-01 7.993554e-02 7.055500e-01 1.498416e-01 0.004395 0.001132 True md_ensemble 5 284 287 CE2_GB1_33 O_GB1_33 1 1.078982e-03 2.937967e-06 ; 3.736848e-01 9.906534e-02 3.974460e-01 5.825706e-02 0.004395 0.001132 True md_ensemble 6 284 288 -CE2_GB1_33 N_GB1_34 1 0.000000e+00 1.575884e-06 ; 2.926097e-01 -1.575884e-06 1.714021e-02 6.205306e-02 0.004395 0.001132 True md_ensemble 6 284 289 +CE2_GB1_33 N_GB1_34 1 0.000000e+00 1.575862e-06 ; 2.926093e-01 -1.575862e-06 1.714021e-02 6.205306e-02 0.004395 0.001132 True md_ensemble 6 284 289 CE2_GB1_33 CA_GB1_34 1 5.886202e-03 6.792609e-05 ; 4.753720e-01 1.275187e-01 1.018771e-01 8.178939e-02 0.004395 0.010759 True md_ensemble 7 284 291 CE2_GB1_33 CB_GB1_36 1 2.642100e-03 1.962173e-05 ; 4.417040e-01 8.894081e-02 1.577650e-02 3.021629e-02 0.004395 0.012152 True md_ensemble 7 284 307 CE2_GB1_33 CB_GB1_37 1 6.529801e-03 4.262805e-05 ; 4.323139e-01 2.500601e-01 1.577829e-01 1.330430e-02 0.004395 0.012152 True md_ensemble 7 284 316 CE2_GB1_33 CG_GB1_37 1 3.151220e-03 7.649106e-06 ; 3.665968e-01 3.245537e-01 6.106523e-01 1.381458e-02 0.004395 0.015243 True md_ensemble 7 284 317 CE2_GB1_33 OD1_GB1_37 1 1.134851e-03 1.360456e-06 ; 3.259300e-01 2.366646e-01 1.111592e-01 1.098019e-02 0.004395 0.015244 True md_ensemble 7 284 318 CE2_GB1_33 ND2_GB1_37 1 9.678075e-04 6.918082e-07 ; 2.990195e-01 3.384794e-01 8.918942e-01 1.699746e-02 0.004395 0.015244 True md_ensemble 7 284 319 - CZ_GB1_33 C_GB1_33 1 0.000000e+00 2.505598e-06 ; 3.041382e-01 -2.505598e-06 5.350483e-02 1.772655e-02 0.004395 0.001132 True md_ensemble 6 285 287 + CZ_GB1_33 C_GB1_33 1 0.000000e+00 2.505553e-06 ; 3.041377e-01 -2.505553e-06 5.350483e-02 1.772655e-02 0.004395 0.001132 True md_ensemble 6 285 287 CZ_GB1_33 O_GB1_33 1 2.356334e-03 8.425166e-06 ; 3.910422e-01 1.647537e-01 2.758047e-02 1.318527e-02 0.004395 0.015244 True md_ensemble 7 285 288 CZ_GB1_33 CB_GB1_37 1 7.309148e-03 5.734159e-05 ; 4.457594e-01 2.329184e-01 1.158619e-01 1.361983e-02 0.004395 0.012152 True md_ensemble 7 285 316 CZ_GB1_33 CG_GB1_37 1 3.889102e-03 1.151899e-05 ; 3.789607e-01 3.282648e-01 6.561957e-01 1.221903e-02 0.004395 0.015243 True md_ensemble 7 285 317 CZ_GB1_33 OD1_GB1_37 1 1.869510e-03 3.379752e-06 ; 3.490274e-01 2.585298e-01 1.698269e-01 1.055510e-02 0.004395 0.015244 True md_ensemble 7 285 318 CZ_GB1_33 ND2_GB1_37 1 1.091099e-03 8.623475e-07 ; 3.040673e-01 3.451324e-01 9.099654e-01 1.413412e-02 0.004395 0.015244 True md_ensemble 7 285 319 OH_GB1_33 H_GB1_34 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 290 - OH_GB1_33 CB_GB1_34 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 292 + OH_GB1_33 CB_GB1_34 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 292 OH_GB1_33 H_GB1_35 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 296 - OH_GB1_33 CB_GB1_35 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 298 + OH_GB1_33 CB_GB1_35 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 298 OH_GB1_33 H_GB1_36 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 305 - OH_GB1_33 CB_GB1_36 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 307 + OH_GB1_33 CB_GB1_36 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 307 OH_GB1_33 H_GB1_37 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 314 - OH_GB1_33 CB_GB1_37 1 0.000000e+00 2.799059e-06 ; 3.069583e-01 -2.799059e-06 6.006400e-03 1.159417e-02 0.004395 0.001132 True md_ensemble 7 286 316 + OH_GB1_33 CB_GB1_37 1 0.000000e+00 2.799017e-06 ; 3.069579e-01 -2.799017e-06 6.006400e-03 1.159417e-02 0.004395 0.001132 True md_ensemble 7 286 316 OH_GB1_33 CG_GB1_37 1 2.932759e-03 8.134469e-06 ; 3.748367e-01 2.643404e-01 1.900727e-01 1.007353e-02 0.004395 0.011584 True md_ensemble 7 286 317 OH_GB1_33 OD1_GB1_37 1 9.205120e-04 9.245702e-07 ; 3.164597e-01 2.291179e-01 9.603233e-02 8.846398e-03 0.004395 0.011584 True md_ensemble 7 286 318 OH_GB1_33 ND2_GB1_37 1 1.792630e-03 2.481628e-06 ; 3.338420e-01 3.237313e-01 6.312353e-01 1.216705e-02 0.004395 0.011584 True md_ensemble 7 286 319 OH_GB1_33 H_GB1_38 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 323 - OH_GB1_33 CA_GB1_38 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 324 + OH_GB1_33 CA_GB1_38 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 324 OH_GB1_33 H_GB1_39 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 328 - OH_GB1_33 CB_GB1_39 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 330 - OH_GB1_33 CG1_GB1_39 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 331 - OH_GB1_33 CG2_GB1_39 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 332 + OH_GB1_33 CB_GB1_39 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 330 + OH_GB1_33 CG1_GB1_39 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 331 + OH_GB1_33 CG2_GB1_39 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 332 OH_GB1_33 H_GB1_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 336 - OH_GB1_33 CB_GB1_40 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 338 + OH_GB1_33 CB_GB1_40 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 338 OH_GB1_33 H_GB1_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 345 - OH_GB1_33 CA_GB1_41 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 346 + OH_GB1_33 CA_GB1_41 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 346 OH_GB1_33 H_GB1_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 350 - OH_GB1_33 CB_GB1_42 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 352 - OH_GB1_33 CG_GB1_42 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 353 + OH_GB1_33 CB_GB1_42 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 352 + OH_GB1_33 CG_GB1_42 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 353 OH_GB1_33 H_GB1_43 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 360 - OH_GB1_33 CB_GB1_43 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 362 + OH_GB1_33 CB_GB1_43 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 362 OH_GB1_33 H_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 375 - OH_GB1_33 CB_GB1_44 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 377 - OH_GB1_33 CG2_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 379 + OH_GB1_33 CB_GB1_44 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 377 + OH_GB1_33 CG2_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 379 OH_GB1_33 H_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 383 - OH_GB1_33 CB_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 385 + OH_GB1_33 CB_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 385 OH_GB1_33 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 396 - OH_GB1_33 CB_GB1_46 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 398 + OH_GB1_33 CB_GB1_46 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 398 OH_GB1_33 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 405 - OH_GB1_33 CB_GB1_47 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 407 + OH_GB1_33 CB_GB1_47 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 407 OH_GB1_33 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 414 - OH_GB1_33 CB_GB1_48 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 416 + OH_GB1_33 CB_GB1_48 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 416 OH_GB1_33 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 420 - OH_GB1_33 CB_GB1_49 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 422 - OH_GB1_33 CG2_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 424 + OH_GB1_33 CB_GB1_49 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 422 + OH_GB1_33 CG2_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 424 OH_GB1_33 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 428 - OH_GB1_33 CB_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 430 - OH_GB1_33 CG_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 431 - OH_GB1_33 CD_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 432 - OH_GB1_33 CE_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 433 + OH_GB1_33 CB_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 430 + OH_GB1_33 CG_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 431 + OH_GB1_33 CD_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 432 + OH_GB1_33 CE_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 433 OH_GB1_33 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 438 - OH_GB1_33 CB_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 440 - OH_GB1_33 CG2_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 442 + OH_GB1_33 CB_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 440 + OH_GB1_33 CG2_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 442 OH_GB1_33 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 446 - OH_GB1_33 CB_GB1_52 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 448 + OH_GB1_33 CB_GB1_52 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 448 OH_GB1_33 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 458 - OH_GB1_33 CB_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 460 - OH_GB1_33 CG2_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 462 + OH_GB1_33 CB_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 460 + OH_GB1_33 CG2_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 462 OH_GB1_33 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 466 - OH_GB1_33 CB_GB1_54 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 468 - OH_GB1_33 CG1_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 469 - OH_GB1_33 CG2_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 470 + OH_GB1_33 CB_GB1_54 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 468 + OH_GB1_33 CG1_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 469 + OH_GB1_33 CG2_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 470 OH_GB1_33 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 474 - OH_GB1_33 CB_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 476 - OH_GB1_33 CG2_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 478 + OH_GB1_33 CB_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 476 + OH_GB1_33 CG2_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 478 OH_GB1_33 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 482 - OH_GB1_33 CB_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 484 - OH_GB1_33 CG_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 485 - C_GB1_33 CB_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 292 - C_GB1_33 O_GB1_34 1 0.000000e+00 6.709199e-07 ; 2.725111e-01 -6.709199e-07 9.998815e-01 8.112071e-01 0.004395 0.001132 True md_ensemble 4 287 294 - C_GB1_33 N_GB1_35 1 0.000000e+00 1.456194e-06 ; 2.906899e-01 -1.456194e-06 9.999998e-01 9.655505e-01 0.004395 0.001132 True md_ensemble 4 287 295 - C_GB1_33 CA_GB1_35 1 0.000000e+00 1.129208e-05 ; 3.447938e-01 -1.129208e-05 9.997528e-01 8.649223e-01 0.004395 0.001132 True md_ensemble 5 287 297 - C_GB1_33 CB_GB1_35 1 0.000000e+00 5.840821e-06 ; 3.263632e-01 -5.840821e-06 3.693062e-01 2.914497e-01 0.004395 0.001132 True md_ensemble 6 287 298 + OH_GB1_33 CB_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 484 + OH_GB1_33 CG_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 286 485 + C_GB1_33 CB_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 292 + C_GB1_33 O_GB1_34 1 0.000000e+00 6.709168e-07 ; 2.725110e-01 -6.709168e-07 9.998815e-01 8.112071e-01 0.004395 0.001132 True md_ensemble 4 287 294 + C_GB1_33 N_GB1_35 1 0.000000e+00 1.456174e-06 ; 2.906896e-01 -1.456174e-06 9.999998e-01 9.655505e-01 0.004395 0.001132 True md_ensemble 4 287 295 + C_GB1_33 CA_GB1_35 1 0.000000e+00 1.129202e-05 ; 3.447937e-01 -1.129202e-05 9.997528e-01 8.649223e-01 0.004395 0.001132 True md_ensemble 5 287 297 + C_GB1_33 CB_GB1_35 1 0.000000e+00 5.840723e-06 ; 3.263627e-01 -5.840723e-06 3.693062e-01 2.914497e-01 0.004395 0.001132 True md_ensemble 6 287 298 C_GB1_33 C_GB1_35 1 1.519711e-03 7.451064e-06 ; 4.121698e-01 7.748967e-02 8.875608e-01 1.976478e-01 0.004395 0.001132 True md_ensemble 6 287 302 C_GB1_33 N_GB1_36 1 1.331245e-03 2.075757e-06 ; 3.405282e-01 2.134417e-01 9.872325e-01 1.613680e-01 0.004395 0.011584 True md_ensemble 7 287 304 C_GB1_33 CA_GB1_36 1 3.645366e-03 1.696190e-05 ; 4.085911e-01 1.958609e-01 9.919875e-01 1.669420e-01 0.004395 0.008482 True md_ensemble 7 287 306 - C_GB1_33 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 307 + C_GB1_33 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 307 C_GB1_33 CG_GB1_36 1 3.380629e-03 1.860152e-05 ; 4.201701e-01 1.535984e-01 5.428879e-02 2.830505e-02 0.004395 0.011584 True md_ensemble 7 287 308 C_GB1_33 C_GB1_36 1 6.780501e-03 4.114908e-05 ; 4.270870e-01 2.793209e-01 4.552348e-01 2.075201e-02 0.004395 0.011584 True md_ensemble 7 287 311 C_GB1_33 N_GB1_37 1 3.571355e-03 9.805281e-06 ; 3.742006e-01 3.251966e-01 9.401038e-01 1.761263e-02 0.004395 0.011584 True md_ensemble 7 287 313 @@ -36531,47 +36531,47 @@ CE2_GB1_33 ND2_GB1_37 1 9.678075e-04 6.918082e-07 ; 2.990195e-01 3.384794e- C_GB1_33 CG_GB1_37 1 7.091357e-03 3.732201e-05 ; 4.170671e-01 3.368478e-01 7.749707e-01 9.529885e-03 0.004395 0.011584 True md_ensemble 7 287 317 C_GB1_33 OD1_GB1_37 1 2.696424e-04 2.300042e-07 ; 3.079579e-01 7.902791e-02 5.235567e-03 6.840721e-03 0.004395 0.011584 True md_ensemble 7 287 318 C_GB1_33 ND2_GB1_37 1 1.990327e-03 3.043805e-06 ; 3.394288e-01 3.253658e-01 9.850590e-01 1.839461e-02 0.004395 0.011584 True md_ensemble 7 287 319 - C_GB1_33 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 324 - C_GB1_33 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 330 - C_GB1_33 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 331 - C_GB1_33 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 332 - C_GB1_33 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 338 - C_GB1_33 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 346 - C_GB1_33 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 352 - C_GB1_33 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 353 - C_GB1_33 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 362 - C_GB1_33 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 377 - C_GB1_33 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 379 - C_GB1_33 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 385 - C_GB1_33 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 398 - C_GB1_33 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 407 - C_GB1_33 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 416 - C_GB1_33 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 422 - C_GB1_33 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 424 - C_GB1_33 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 430 - C_GB1_33 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 431 - C_GB1_33 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 432 - C_GB1_33 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 433 - C_GB1_33 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 440 - C_GB1_33 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 442 - C_GB1_33 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 448 - C_GB1_33 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 460 - C_GB1_33 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 462 - C_GB1_33 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 468 - C_GB1_33 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 469 - C_GB1_33 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 470 - C_GB1_33 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 476 - C_GB1_33 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 478 - C_GB1_33 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 484 - C_GB1_33 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 485 + C_GB1_33 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 324 + C_GB1_33 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 330 + C_GB1_33 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 331 + C_GB1_33 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 332 + C_GB1_33 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 338 + C_GB1_33 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 346 + C_GB1_33 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 352 + C_GB1_33 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 353 + C_GB1_33 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 362 + C_GB1_33 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 377 + C_GB1_33 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 379 + C_GB1_33 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 385 + C_GB1_33 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 398 + C_GB1_33 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 407 + C_GB1_33 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 416 + C_GB1_33 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 422 + C_GB1_33 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 424 + C_GB1_33 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 430 + C_GB1_33 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 431 + C_GB1_33 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 432 + C_GB1_33 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 433 + C_GB1_33 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 440 + C_GB1_33 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 442 + C_GB1_33 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 448 + C_GB1_33 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 460 + C_GB1_33 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 462 + C_GB1_33 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 468 + C_GB1_33 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 469 + C_GB1_33 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 470 + C_GB1_33 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 476 + C_GB1_33 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 478 + C_GB1_33 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 484 + C_GB1_33 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 287 485 O_GB1_33 O_GB1_33 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 288 288 O_GB1_33 H_GB1_34 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 288 290 O_GB1_33 CB_GB1_34 1 0.000000e+00 1.503327e-06 ; 2.914626e-01 -1.503327e-06 1.000000e+00 9.995582e-01 0.004395 0.001132 True md_ensemble 4 288 292 - O_GB1_33 C_GB1_34 1 0.000000e+00 8.170185e-07 ; 2.770220e-01 -8.170185e-07 1.000000e+00 9.879988e-01 0.004395 0.001132 True md_ensemble 4 288 293 + O_GB1_33 C_GB1_34 1 0.000000e+00 8.170148e-07 ; 2.770219e-01 -8.170148e-07 1.000000e+00 9.879988e-01 0.004395 0.001132 True md_ensemble 4 288 293 O_GB1_33 O_GB1_34 1 0.000000e+00 1.155965e-06 ; 2.851502e-01 -1.155965e-06 9.999891e-01 7.706321e-01 0.004395 0.001132 True md_ensemble 5 288 294 O_GB1_33 N_GB1_35 1 0.000000e+00 1.276816e-06 ; 2.875229e-01 -1.276816e-06 9.992508e-01 8.504616e-01 0.004395 0.001132 True md_ensemble 5 288 295 - O_GB1_33 H_GB1_35 1 0.000000e+00 1.831470e-08 ; 2.018653e-01 -1.831470e-08 3.599733e-02 2.163574e-01 0.004395 0.001132 True md_ensemble 6 288 296 - O_GB1_33 CA_GB1_35 1 0.000000e+00 2.561947e-06 ; 3.047024e-01 -2.561947e-06 9.788834e-01 5.957006e-01 0.004395 0.001132 True md_ensemble 6 288 297 + O_GB1_33 H_GB1_35 1 0.000000e+00 1.831499e-08 ; 2.018656e-01 -1.831499e-08 3.599733e-02 2.163574e-01 0.004395 0.001132 True md_ensemble 6 288 296 + O_GB1_33 CA_GB1_35 1 0.000000e+00 2.561967e-06 ; 3.047026e-01 -2.561967e-06 9.788834e-01 5.957006e-01 0.004395 0.001132 True md_ensemble 6 288 297 O_GB1_33 CB_GB1_35 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 1.678127e-03 1.400014e-01 0.004395 0.007862 True md_ensemble 7 288 298 O_GB1_33 OD1_GB1_35 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 288 300 O_GB1_33 C_GB1_35 1 2.124659e-03 5.245440e-06 ; 3.676338e-01 2.151477e-01 7.497733e-01 1.185689e-01 0.004395 0.011584 True md_ensemble 7 288 302 @@ -36677,12 +36677,12 @@ CE2_GB1_33 ND2_GB1_37 1 9.678075e-04 6.918082e-07 ; 2.990195e-01 3.384794e- O_GB1_33 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 288 488 O_GB1_33 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 288 490 O_GB1_33 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 288 491 - N_GB1_34 CB_GB1_34 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 292 - N_GB1_34 CA_GB1_35 1 0.000000e+00 7.574792e-06 ; 3.335103e-01 -7.574792e-06 9.999962e-01 9.999694e-01 0.004395 0.001132 True md_ensemble 4 289 297 - N_GB1_34 CB_GB1_35 1 0.000000e+00 3.136159e-06 ; 3.098809e-01 -3.136159e-06 5.886401e-01 4.417655e-01 0.004395 0.001132 True md_ensemble 5 289 298 + N_GB1_34 CB_GB1_34 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 292 + N_GB1_34 CA_GB1_35 1 0.000000e+00 7.574780e-06 ; 3.335102e-01 -7.574780e-06 9.999962e-01 9.999694e-01 0.004395 0.001132 True md_ensemble 4 289 297 + N_GB1_34 CB_GB1_35 1 0.000000e+00 3.136117e-06 ; 3.098806e-01 -3.136117e-06 5.886401e-01 4.417655e-01 0.004395 0.001132 True md_ensemble 5 289 298 N_GB1_34 CG_GB1_35 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 2.786550e-04 5.637045e-02 0.004395 0.001132 True md_ensemble 6 289 299 N_GB1_34 OD1_GB1_35 1 0.000000e+00 1.635149e-06 ; 2.935113e-01 -1.635149e-06 5.553217e-03 9.565276e-02 0.004395 0.011584 True md_ensemble 7 289 300 - N_GB1_34 C_GB1_35 1 0.000000e+00 1.098243e-06 ; 2.839356e-01 -1.098243e-06 3.702649e-01 9.847079e-02 0.004395 0.001132 True md_ensemble 5 289 302 + N_GB1_34 C_GB1_35 1 0.000000e+00 1.098227e-06 ; 2.839353e-01 -1.098227e-06 3.702649e-01 9.847079e-02 0.004395 0.001132 True md_ensemble 5 289 302 N_GB1_34 O_GB1_35 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 0.000000e+00 1.414140e-01 0.004395 0.001132 True md_ensemble 6 289 303 N_GB1_34 N_GB1_36 1 1.293735e-03 3.848761e-06 ; 3.792387e-01 1.087201e-01 7.711437e-01 9.374163e-02 0.004395 0.001132 True md_ensemble 6 289 304 N_GB1_34 CA_GB1_36 1 9.506391e-03 9.789591e-05 ; 4.664354e-01 2.307846e-01 5.620202e-01 4.806488e-02 0.004395 0.008482 True md_ensemble 7 289 306 @@ -36692,58 +36692,58 @@ CE2_GB1_33 ND2_GB1_37 1 9.678075e-04 6.918082e-07 ; 2.990195e-01 3.384794e- N_GB1_34 CB_GB1_37 1 5.118932e-03 3.633379e-05 ; 4.383845e-01 1.802968e-01 2.427634e-01 7.369690e-03 0.004395 0.001132 True md_ensemble 7 289 316 N_GB1_34 ND2_GB1_37 1 4.487008e-03 1.872836e-05 ; 4.012581e-01 2.687534e-01 2.070465e-01 8.514193e-03 0.004395 0.011584 True md_ensemble 7 289 319 N_GB1_34 N_GB1_38 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 8.079499e-04 0.004395 0.001132 True md_ensemble 7 289 322 - N_GB1_34 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 324 + N_GB1_34 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 324 N_GB1_34 N_GB1_39 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.000160e-04 0.004395 0.001132 True md_ensemble 7 289 327 N_GB1_34 CB_GB1_39 1 6.053787e-03 6.536636e-05 ; 4.701335e-01 1.401651e-01 4.506910e-02 2.978326e-03 0.004395 0.001132 True md_ensemble 7 289 330 - N_GB1_34 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 331 - N_GB1_34 CG2_GB1_39 1 0.000000e+00 2.735083e-06 ; 3.063674e-01 -2.735083e-06 7.912637e-03 5.053314e-03 0.004395 0.001132 True md_ensemble 7 289 332 + N_GB1_34 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 331 + N_GB1_34 CG2_GB1_39 1 0.000000e+00 2.735057e-06 ; 3.063672e-01 -2.735057e-06 7.912637e-03 5.053314e-03 0.004395 0.001132 True md_ensemble 7 289 332 N_GB1_34 N_GB1_40 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 4.712895e-05 0.004395 0.001132 True md_ensemble 7 289 335 - N_GB1_34 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 338 + N_GB1_34 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 338 N_GB1_34 N_GB1_41 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 289 344 - N_GB1_34 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 346 + N_GB1_34 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 346 N_GB1_34 N_GB1_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 289 349 - N_GB1_34 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 352 - N_GB1_34 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 353 + N_GB1_34 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 352 + N_GB1_34 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 353 N_GB1_34 N_GB1_43 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 289 359 - N_GB1_34 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 362 + N_GB1_34 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 362 N_GB1_34 N_GB1_44 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 289 374 - N_GB1_34 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 377 - N_GB1_34 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 379 + N_GB1_34 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 377 + N_GB1_34 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 379 N_GB1_34 N_GB1_45 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 289 382 - N_GB1_34 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 385 + N_GB1_34 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 385 N_GB1_34 N_GB1_46 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 9.991393e-05 0.004395 0.001132 True md_ensemble 7 289 395 - N_GB1_34 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 398 + N_GB1_34 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 398 N_GB1_34 N_GB1_47 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 289 404 - N_GB1_34 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 407 + N_GB1_34 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 407 N_GB1_34 N_GB1_48 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 4.153276e-05 0.004395 0.001132 True md_ensemble 7 289 413 - N_GB1_34 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 416 + N_GB1_34 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 416 N_GB1_34 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 289 419 - N_GB1_34 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 422 - N_GB1_34 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 424 + N_GB1_34 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 422 + N_GB1_34 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 424 N_GB1_34 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 289 427 - N_GB1_34 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 430 - N_GB1_34 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 431 - N_GB1_34 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 432 - N_GB1_34 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 433 + N_GB1_34 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 430 + N_GB1_34 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 431 + N_GB1_34 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 432 + N_GB1_34 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 433 N_GB1_34 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 2.000513e-04 0.004395 0.001132 True md_ensemble 7 289 434 N_GB1_34 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 289 437 - N_GB1_34 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 440 - N_GB1_34 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 442 + N_GB1_34 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 440 + N_GB1_34 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 442 N_GB1_34 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 289 445 - N_GB1_34 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 448 + N_GB1_34 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 448 N_GB1_34 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 289 457 - N_GB1_34 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 460 - N_GB1_34 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 462 + N_GB1_34 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 460 + N_GB1_34 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 462 N_GB1_34 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 289 465 - N_GB1_34 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 468 - N_GB1_34 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 469 - N_GB1_34 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 470 + N_GB1_34 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 468 + N_GB1_34 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 469 + N_GB1_34 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 470 N_GB1_34 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 289 473 - N_GB1_34 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 476 - N_GB1_34 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 478 + N_GB1_34 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 476 + N_GB1_34 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 478 N_GB1_34 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 3.609533e-06 0.004395 0.001132 True md_ensemble 7 289 481 - N_GB1_34 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 484 - N_GB1_34 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 485 + N_GB1_34 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 484 + N_GB1_34 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 289 485 H_GB1_34 H_GB1_34 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 290 290 H_GB1_34 O_GB1_34 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 290 294 H_GB1_34 H_GB1_35 1 0.000000e+00 7.850425e-09 ; 1.881061e-01 -7.850425e-09 9.640168e-01 6.182189e-01 0.004395 0.001132 True md_ensemble 5 290 296 @@ -36811,14 +36811,14 @@ CE2_GB1_33 ND2_GB1_37 1 9.678075e-04 6.918082e-07 ; 2.990195e-01 3.384794e- H_GB1_34 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 290 488 H_GB1_34 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 290 490 H_GB1_34 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 290 491 - CA_GB1_34 CB_GB1_35 1 0.000000e+00 3.181365e-05 ; 3.758773e-01 -3.181365e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 291 298 - CA_GB1_34 CG_GB1_35 1 0.000000e+00 1.188529e-05 ; 3.462681e-01 -1.188529e-05 7.920148e-01 7.026347e-01 0.004395 0.001132 True md_ensemble 5 291 299 - CA_GB1_34 OD1_GB1_35 1 0.000000e+00 3.873451e-06 ; 3.153817e-01 -3.873451e-06 3.800160e-01 3.125925e-01 0.004395 0.001132 True md_ensemble 6 291 300 - CA_GB1_34 ND2_GB1_35 1 0.000000e+00 1.546952e-05 ; 3.539577e-01 -1.546952e-05 2.477957e-01 4.335817e-01 0.004395 0.001132 True md_ensemble 6 291 301 - CA_GB1_34 C_GB1_35 1 0.000000e+00 1.305183e-05 ; 3.489803e-01 -1.305183e-05 1.000000e+00 9.999974e-01 0.004395 0.001132 True md_ensemble 4 291 302 - CA_GB1_34 O_GB1_35 1 0.000000e+00 5.627055e-06 ; 3.253507e-01 -5.627055e-06 3.340703e-02 3.881831e-01 0.004395 0.001132 True md_ensemble 5 291 303 - CA_GB1_34 N_GB1_36 1 0.000000e+00 5.119247e-06 ; 3.227965e-01 -5.119247e-06 1.000000e+00 6.758086e-01 0.004395 0.001132 True md_ensemble 5 291 304 - CA_GB1_34 CA_GB1_36 1 0.000000e+00 4.314707e-05 ; 3.855443e-01 -4.314707e-05 1.000000e+00 6.581738e-01 0.004395 0.001132 True md_ensemble 6 291 306 + CA_GB1_34 CB_GB1_35 1 0.000000e+00 3.181352e-05 ; 3.758772e-01 -3.181352e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 291 298 + CA_GB1_34 CG_GB1_35 1 0.000000e+00 1.188523e-05 ; 3.462679e-01 -1.188523e-05 7.920148e-01 7.026347e-01 0.004395 0.001132 True md_ensemble 5 291 299 + CA_GB1_34 OD1_GB1_35 1 0.000000e+00 3.873482e-06 ; 3.153819e-01 -3.873482e-06 3.800160e-01 3.125925e-01 0.004395 0.001132 True md_ensemble 6 291 300 + CA_GB1_34 ND2_GB1_35 1 0.000000e+00 1.546961e-05 ; 3.539579e-01 -1.546961e-05 2.477957e-01 4.335817e-01 0.004395 0.001132 True md_ensemble 6 291 301 + CA_GB1_34 C_GB1_35 1 0.000000e+00 1.305176e-05 ; 3.489802e-01 -1.305176e-05 1.000000e+00 9.999974e-01 0.004395 0.001132 True md_ensemble 4 291 302 + CA_GB1_34 O_GB1_35 1 0.000000e+00 5.627100e-06 ; 3.253509e-01 -5.627100e-06 3.340703e-02 3.881831e-01 0.004395 0.001132 True md_ensemble 5 291 303 + CA_GB1_34 N_GB1_36 1 0.000000e+00 5.119239e-06 ; 3.227965e-01 -5.119239e-06 1.000000e+00 6.758086e-01 0.004395 0.001132 True md_ensemble 5 291 304 + CA_GB1_34 CA_GB1_36 1 0.000000e+00 4.314739e-05 ; 3.855445e-01 -4.314739e-05 1.000000e+00 6.581738e-01 0.004395 0.001132 True md_ensemble 6 291 306 CA_GB1_34 CB_GB1_36 1 1.117253e-02 2.145940e-04 ; 5.175008e-01 1.454204e-01 7.673045e-01 2.879933e-01 0.004395 0.007117 True md_ensemble 7 291 307 CA_GB1_34 C_GB1_36 1 1.089956e-02 1.489349e-04 ; 4.889502e-01 1.994167e-01 6.004789e-01 9.432452e-02 0.004395 0.008482 True md_ensemble 7 291 311 CA_GB1_34 N_GB1_37 1 4.263496e-03 2.016417e-05 ; 4.097029e-01 2.253675e-01 9.990096e-01 9.489568e-02 0.004395 0.008482 True md_ensemble 7 291 313 @@ -36843,32 +36843,32 @@ CE2_GB1_33 ND2_GB1_37 1 9.678075e-04 6.918082e-07 ; 2.990195e-01 3.384794e- CA_GB1_34 CB_GB1_54 1 2.762590e-02 8.580642e-04 ; 5.606613e-01 2.223582e-01 8.423921e-02 1.334056e-03 0.004395 0.006476 True md_ensemble 7 291 468 CA_GB1_34 CG1_GB1_54 1 1.540712e-02 2.523462e-04 ; 5.039404e-01 2.351724e-01 1.079902e-01 1.281131e-03 0.004395 0.010759 True md_ensemble 7 291 469 CA_GB1_34 CG2_GB1_54 1 1.215464e-02 2.246273e-04 ; 5.141858e-01 1.644228e-01 2.740411e-02 1.005128e-03 0.004395 0.010759 True md_ensemble 7 291 470 - CB_GB1_34 C_GB1_34 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 293 + CB_GB1_34 C_GB1_34 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 293 CB_GB1_34 O_GB1_34 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 294 - CB_GB1_34 N_GB1_35 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 295 - CB_GB1_34 CA_GB1_35 1 0.000000e+00 2.373754e-05 ; 3.668158e-01 -2.373754e-05 1.000000e+00 9.999845e-01 0.004395 0.001132 True md_ensemble 4 292 297 - CB_GB1_34 CB_GB1_35 1 0.000000e+00 7.323781e-06 ; 3.325750e-01 -7.323781e-06 8.955468e-01 5.313022e-01 0.004395 0.001132 True md_ensemble 5 292 298 - CB_GB1_34 CG_GB1_35 1 0.000000e+00 3.937843e-06 ; 3.158153e-01 -3.937843e-06 3.435350e-01 1.767442e-01 0.004395 0.001132 True md_ensemble 6 292 299 + CB_GB1_34 N_GB1_35 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 295 + CB_GB1_34 CA_GB1_35 1 0.000000e+00 2.373753e-05 ; 3.668157e-01 -2.373753e-05 1.000000e+00 9.999845e-01 0.004395 0.001132 True md_ensemble 4 292 297 + CB_GB1_34 CB_GB1_35 1 0.000000e+00 7.323693e-06 ; 3.325747e-01 -7.323693e-06 8.955468e-01 5.313022e-01 0.004395 0.001132 True md_ensemble 5 292 298 + CB_GB1_34 CG_GB1_35 1 0.000000e+00 3.937792e-06 ; 3.158150e-01 -3.937792e-06 3.435350e-01 1.767442e-01 0.004395 0.001132 True md_ensemble 6 292 299 CB_GB1_34 OD1_GB1_35 1 1.019378e-03 1.740356e-06 ; 3.457141e-01 1.492699e-01 2.391175e-01 9.201492e-02 0.004395 0.007862 True md_ensemble 7 292 300 - CB_GB1_34 ND2_GB1_35 1 0.000000e+00 4.508783e-06 ; 3.193988e-01 -4.508783e-06 1.855816e-01 1.400399e-01 0.004395 0.001132 True md_ensemble 7 292 301 - CB_GB1_34 C_GB1_35 1 0.000000e+00 6.012392e-06 ; 3.271515e-01 -6.012392e-06 5.514707e-03 2.776782e-01 0.004395 0.001132 True md_ensemble 5 292 302 + CB_GB1_34 ND2_GB1_35 1 0.000000e+00 4.508774e-06 ; 3.193987e-01 -4.508774e-06 1.855816e-01 1.400399e-01 0.004395 0.001132 True md_ensemble 7 292 301 + CB_GB1_34 C_GB1_35 1 0.000000e+00 6.012313e-06 ; 3.271512e-01 -6.012313e-06 5.514707e-03 2.776782e-01 0.004395 0.001132 True md_ensemble 5 292 302 CB_GB1_34 O_GB1_35 1 0.000000e+00 1.503992e-06 ; 2.914733e-01 -1.503992e-06 0.000000e+00 6.613039e-02 0.004395 0.001132 True md_ensemble 6 292 303 - CB_GB1_34 N_GB1_36 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 304 - CB_GB1_34 CG_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 308 + CB_GB1_34 N_GB1_36 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 304 + CB_GB1_34 CG_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 308 CB_GB1_34 OD1_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 309 CB_GB1_34 OD2_GB1_36 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 310 - CB_GB1_34 C_GB1_36 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 311 + CB_GB1_34 C_GB1_36 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 311 CB_GB1_34 O_GB1_36 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 312 - CB_GB1_34 N_GB1_37 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 313 - CB_GB1_34 CA_GB1_37 1 0.000000e+00 2.513572e-05 ; 3.685694e-01 -2.513572e-05 5.796485e-03 6.468154e-02 0.004395 0.010759 True md_ensemble 7 292 315 + CB_GB1_34 N_GB1_37 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 313 + CB_GB1_34 CA_GB1_37 1 0.000000e+00 2.513571e-05 ; 3.685694e-01 -2.513571e-05 5.796485e-03 6.468154e-02 0.004395 0.010759 True md_ensemble 7 292 315 CB_GB1_34 CB_GB1_37 1 7.215954e-03 9.408471e-05 ; 4.851442e-01 1.383593e-01 7.093902e-02 5.213029e-02 0.004395 0.012151 True md_ensemble 7 292 316 - CB_GB1_34 CG_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 317 + CB_GB1_34 CG_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 317 CB_GB1_34 OD1_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 318 - CB_GB1_34 ND2_GB1_37 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 319 - CB_GB1_34 C_GB1_37 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 320 + CB_GB1_34 ND2_GB1_37 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 319 + CB_GB1_34 C_GB1_37 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 320 CB_GB1_34 O_GB1_37 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 321 - CB_GB1_34 N_GB1_38 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 322 - CB_GB1_34 C_GB1_38 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 325 + CB_GB1_34 N_GB1_38 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 322 + CB_GB1_34 C_GB1_38 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 325 CB_GB1_34 O_GB1_38 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 326 CB_GB1_34 N_GB1_39 1 5.039857e-03 3.242181e-05 ; 4.312573e-01 1.958571e-01 1.366917e-01 3.069180e-03 0.004395 0.001132 True md_ensemble 7 292 327 CB_GB1_34 CA_GB1_39 1 1.126733e-02 9.482087e-05 ; 4.510041e-01 3.347171e-01 9.788423e-01 1.416189e-02 0.004395 0.010759 True md_ensemble 7 292 329 @@ -36877,102 +36877,102 @@ CE2_GB1_33 ND2_GB1_37 1 9.678075e-04 6.918082e-07 ; 2.990195e-01 3.384794e- CB_GB1_34 CG2_GB1_39 1 4.747709e-03 1.769050e-05 ; 3.937398e-01 3.185430e-01 5.833951e-01 2.223821e-02 0.004395 0.020717 True md_ensemble 7 292 332 CB_GB1_34 C_GB1_39 1 5.157648e-03 2.625343e-05 ; 4.147526e-01 2.533129e-01 6.650261e-01 4.902947e-03 0.004395 0.001132 True md_ensemble 7 292 333 CB_GB1_34 O_GB1_39 1 1.465304e-03 1.571287e-06 ; 3.199297e-01 3.416175e-01 8.500344e-01 5.879341e-03 0.004395 0.007862 True md_ensemble 7 292 334 - CB_GB1_34 N_GB1_40 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 335 + CB_GB1_34 N_GB1_40 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 335 CB_GB1_34 CA_GB1_40 1 8.519169e-03 7.770198e-05 ; 4.570943e-01 2.335084e-01 1.045626e-01 1.027988e-02 0.004395 0.010759 True md_ensemble 7 292 337 - CB_GB1_34 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 339 + CB_GB1_34 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 339 CB_GB1_34 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 340 CB_GB1_34 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 341 - CB_GB1_34 C_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 342 + CB_GB1_34 C_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 342 CB_GB1_34 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 343 - CB_GB1_34 N_GB1_41 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 344 - CB_GB1_34 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 347 + CB_GB1_34 N_GB1_41 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 344 + CB_GB1_34 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 347 CB_GB1_34 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 348 - CB_GB1_34 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 349 - CB_GB1_34 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 354 + CB_GB1_34 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 349 + CB_GB1_34 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 354 CB_GB1_34 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 355 CB_GB1_34 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 356 - CB_GB1_34 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 357 + CB_GB1_34 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 357 CB_GB1_34 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 358 - CB_GB1_34 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 359 + CB_GB1_34 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 359 CB_GB1_34 NE1_GB1_43 1 4.782780e-03 2.557592e-05 ; 4.181754e-01 2.235989e-01 3.415463e-01 4.479192e-03 0.004395 0.001132 True md_ensemble 7 292 366 CB_GB1_34 CE2_GB1_43 1 7.909305e-03 4.632192e-05 ; 4.245622e-01 3.376215e-01 7.866806e-01 4.913568e-03 0.004395 0.020719 True md_ensemble 7 292 367 CB_GB1_34 CZ2_GB1_43 1 2.065543e-03 3.050864e-06 ; 3.374671e-01 3.496115e-01 9.924976e-01 8.963870e-03 0.004395 0.020719 True md_ensemble 7 292 369 CB_GB1_34 CZ3_GB1_43 1 6.104007e-03 4.834828e-05 ; 4.464721e-01 1.926589e-01 4.737031e-02 8.592879e-03 0.004395 0.020719 True md_ensemble 7 292 370 CB_GB1_34 CH2_GB1_43 1 3.364947e-03 8.314035e-06 ; 3.676819e-01 3.404745e-01 8.314085e-01 9.859680e-03 0.004395 0.020719 True md_ensemble 7 292 371 - CB_GB1_34 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 372 + CB_GB1_34 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 372 CB_GB1_34 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 373 - CB_GB1_34 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 374 - CB_GB1_34 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 378 - CB_GB1_34 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 380 + CB_GB1_34 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 374 + CB_GB1_34 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 378 + CB_GB1_34 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 380 CB_GB1_34 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 381 - CB_GB1_34 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 382 - CB_GB1_34 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 392 - CB_GB1_34 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 393 + CB_GB1_34 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 382 + CB_GB1_34 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 392 + CB_GB1_34 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 393 CB_GB1_34 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 394 - CB_GB1_34 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 395 - CB_GB1_34 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 399 + CB_GB1_34 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 395 + CB_GB1_34 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 399 CB_GB1_34 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 400 CB_GB1_34 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 401 - CB_GB1_34 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 402 + CB_GB1_34 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 402 CB_GB1_34 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 403 - CB_GB1_34 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 404 - CB_GB1_34 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 408 + CB_GB1_34 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 404 + CB_GB1_34 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 408 CB_GB1_34 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 409 CB_GB1_34 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 410 - CB_GB1_34 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 411 + CB_GB1_34 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 411 CB_GB1_34 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 412 - CB_GB1_34 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 413 - CB_GB1_34 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 417 + CB_GB1_34 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 413 + CB_GB1_34 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 417 CB_GB1_34 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 418 - CB_GB1_34 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 419 - CB_GB1_34 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 423 - CB_GB1_34 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 425 + CB_GB1_34 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 419 + CB_GB1_34 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 423 + CB_GB1_34 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 425 CB_GB1_34 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 426 - CB_GB1_34 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 427 - CB_GB1_34 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 434 - CB_GB1_34 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 435 + CB_GB1_34 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 427 + CB_GB1_34 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 434 + CB_GB1_34 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 435 CB_GB1_34 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 436 - CB_GB1_34 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 437 - CB_GB1_34 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 441 - CB_GB1_34 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 443 + CB_GB1_34 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 437 + CB_GB1_34 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 441 + CB_GB1_34 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 443 CB_GB1_34 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 444 - CB_GB1_34 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 445 - CB_GB1_34 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 455 + CB_GB1_34 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 445 + CB_GB1_34 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 455 CB_GB1_34 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 456 - CB_GB1_34 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 457 - CB_GB1_34 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 461 - CB_GB1_34 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 463 + CB_GB1_34 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 457 + CB_GB1_34 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 461 + CB_GB1_34 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 463 CB_GB1_34 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 464 - CB_GB1_34 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 465 + CB_GB1_34 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 465 CB_GB1_34 CB_GB1_54 1 1.714274e-02 2.291257e-04 ; 4.871532e-01 3.206468e-01 5.661156e-01 1.353207e-03 0.004395 0.010759 True md_ensemble 7 292 468 CB_GB1_34 CG1_GB1_54 1 7.717772e-03 4.731575e-05 ; 4.278113e-01 3.147155e-01 5.046336e-01 8.820990e-04 0.004395 0.020717 True md_ensemble 7 292 469 CB_GB1_34 CG2_GB1_54 1 8.857847e-03 6.489443e-05 ; 4.407035e-01 3.022657e-01 3.964370e-01 1.127122e-03 0.004395 0.020717 True md_ensemble 7 292 470 - CB_GB1_34 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 471 + CB_GB1_34 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 471 CB_GB1_34 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 472 - CB_GB1_34 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 473 - CB_GB1_34 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 477 - CB_GB1_34 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 479 + CB_GB1_34 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 473 + CB_GB1_34 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 477 + CB_GB1_34 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 479 CB_GB1_34 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 480 - CB_GB1_34 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 481 - CB_GB1_34 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 486 + CB_GB1_34 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 481 + CB_GB1_34 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 486 CB_GB1_34 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 487 CB_GB1_34 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 488 - CB_GB1_34 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 489 + CB_GB1_34 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 489 CB_GB1_34 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 490 CB_GB1_34 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 292 491 - C_GB1_34 CB_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 298 - C_GB1_34 CG_GB1_35 1 0.000000e+00 2.698645e-06 ; 3.060252e-01 -2.698645e-06 8.954791e-01 9.339908e-01 0.004395 0.001132 True md_ensemble 4 293 299 - C_GB1_34 OD1_GB1_35 1 0.000000e+00 7.272188e-07 ; 2.743471e-01 -7.272188e-07 5.439481e-01 4.233545e-01 0.004395 0.001132 True md_ensemble 5 293 300 - C_GB1_34 ND2_GB1_35 1 0.000000e+00 3.355810e-06 ; 3.116340e-01 -3.355810e-06 2.858771e-01 5.778844e-01 0.004395 0.001132 True md_ensemble 5 293 301 - C_GB1_34 O_GB1_35 1 0.000000e+00 6.883840e-07 ; 2.730953e-01 -6.883840e-07 9.981794e-01 8.306239e-01 0.004395 0.001132 True md_ensemble 4 293 303 - C_GB1_34 N_GB1_36 1 0.000000e+00 1.463322e-06 ; 2.908082e-01 -1.463322e-06 1.000000e+00 9.702768e-01 0.004395 0.001132 True md_ensemble 4 293 304 - C_GB1_34 CA_GB1_36 1 0.000000e+00 1.104350e-05 ; 3.441549e-01 -1.104350e-05 1.000000e+00 8.461243e-01 0.004395 0.001132 True md_ensemble 5 293 306 - C_GB1_34 CB_GB1_36 1 0.000000e+00 4.657927e-06 ; 3.202662e-01 -4.657927e-06 5.233702e-01 2.587595e-01 0.004395 0.001132 True md_ensemble 6 293 307 + C_GB1_34 CB_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 298 + C_GB1_34 CG_GB1_35 1 0.000000e+00 2.698598e-06 ; 3.060247e-01 -2.698598e-06 8.954791e-01 9.339908e-01 0.004395 0.001132 True md_ensemble 4 293 299 + C_GB1_34 OD1_GB1_35 1 0.000000e+00 7.272155e-07 ; 2.743470e-01 -7.272155e-07 5.439481e-01 4.233545e-01 0.004395 0.001132 True md_ensemble 5 293 300 + C_GB1_34 ND2_GB1_35 1 0.000000e+00 3.355788e-06 ; 3.116338e-01 -3.355788e-06 2.858771e-01 5.778844e-01 0.004395 0.001132 True md_ensemble 5 293 301 + C_GB1_34 O_GB1_35 1 0.000000e+00 6.883809e-07 ; 2.730952e-01 -6.883809e-07 9.981794e-01 8.306239e-01 0.004395 0.001132 True md_ensemble 4 293 303 + C_GB1_34 N_GB1_36 1 0.000000e+00 1.463301e-06 ; 2.908079e-01 -1.463301e-06 1.000000e+00 9.702768e-01 0.004395 0.001132 True md_ensemble 4 293 304 + C_GB1_34 CA_GB1_36 1 0.000000e+00 1.104344e-05 ; 3.441547e-01 -1.104344e-05 1.000000e+00 8.461243e-01 0.004395 0.001132 True md_ensemble 5 293 306 + C_GB1_34 CB_GB1_36 1 0.000000e+00 4.657849e-06 ; 3.202657e-01 -4.657849e-06 5.233702e-01 2.587595e-01 0.004395 0.001132 True md_ensemble 6 293 307 C_GB1_34 C_GB1_36 1 2.000361e-03 1.022970e-05 ; 4.150742e-01 9.778996e-02 9.325907e-01 1.401192e-01 0.004395 0.001132 True md_ensemble 6 293 311 C_GB1_34 N_GB1_37 1 1.455904e-03 2.254287e-06 ; 3.401309e-01 2.350696e-01 9.999164e-01 1.074728e-01 0.004395 0.011584 True md_ensemble 7 293 313 C_GB1_34 CA_GB1_37 1 3.850049e-03 1.720106e-05 ; 4.058338e-01 2.154355e-01 9.999819e-01 1.151525e-01 0.004395 0.008482 True md_ensemble 7 293 315 C_GB1_34 CB_GB1_37 1 2.349208e-03 9.701343e-06 ; 4.005454e-01 1.422168e-01 9.902190e-01 6.288593e-02 0.004395 0.001132 True md_ensemble 7 293 316 - C_GB1_34 CG_GB1_37 1 0.000000e+00 2.637139e-06 ; 3.054378e-01 -2.637139e-06 7.829575e-03 2.267204e-02 0.004395 0.011584 True md_ensemble 7 293 317 + C_GB1_34 CG_GB1_37 1 0.000000e+00 2.637092e-06 ; 3.054373e-01 -2.637092e-06 7.829575e-03 2.267204e-02 0.004395 0.011584 True md_ensemble 7 293 317 C_GB1_34 ND2_GB1_37 1 2.812630e-03 1.313467e-05 ; 4.088379e-01 1.505726e-01 6.059206e-02 3.350034e-02 0.004395 0.011584 True md_ensemble 7 293 319 C_GB1_34 C_GB1_37 1 6.218853e-03 2.990430e-05 ; 4.108379e-01 3.233159e-01 9.249114e-01 1.797116e-02 0.004395 0.011584 True md_ensemble 7 293 320 C_GB1_34 N_GB1_38 1 2.648244e-03 5.868884e-06 ; 3.610768e-01 2.987449e-01 9.910664e-01 3.100419e-02 0.004395 0.011584 True md_ensemble 7 293 322 @@ -36986,46 +36986,46 @@ CE2_GB1_33 ND2_GB1_37 1 9.678075e-04 6.918082e-07 ; 2.990195e-01 3.384794e- C_GB1_34 C_GB1_39 1 5.480098e-03 2.271968e-05 ; 4.008073e-01 3.304566e-01 6.846748e-01 1.113854e-03 0.004395 0.011584 True md_ensemble 7 293 333 C_GB1_34 O_GB1_39 1 1.312372e-03 1.269365e-06 ; 3.144766e-01 3.392089e-01 8.112619e-01 2.429770e-03 0.004395 0.011584 True md_ensemble 7 293 334 C_GB1_34 CA_GB1_40 1 2.464472e-03 1.829947e-05 ; 4.416915e-01 8.297541e-02 5.651890e-03 2.046043e-03 0.004395 0.008482 True md_ensemble 7 293 337 - C_GB1_34 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 338 - C_GB1_34 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 346 - C_GB1_34 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 352 - C_GB1_34 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 353 - C_GB1_34 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 362 - C_GB1_34 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 377 - C_GB1_34 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 379 - C_GB1_34 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 385 - C_GB1_34 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 398 - C_GB1_34 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 407 - C_GB1_34 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 416 - C_GB1_34 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 422 - C_GB1_34 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 424 - C_GB1_34 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 430 - C_GB1_34 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 431 - C_GB1_34 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 432 - C_GB1_34 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 433 - C_GB1_34 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 440 - C_GB1_34 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 442 - C_GB1_34 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 448 - C_GB1_34 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 460 - C_GB1_34 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 462 - C_GB1_34 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 468 - C_GB1_34 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 469 - C_GB1_34 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 470 - C_GB1_34 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 476 - C_GB1_34 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 478 - C_GB1_34 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 484 - C_GB1_34 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 485 + C_GB1_34 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 338 + C_GB1_34 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 346 + C_GB1_34 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 352 + C_GB1_34 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 353 + C_GB1_34 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 362 + C_GB1_34 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 377 + C_GB1_34 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 379 + C_GB1_34 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 385 + C_GB1_34 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 398 + C_GB1_34 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 407 + C_GB1_34 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 416 + C_GB1_34 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 422 + C_GB1_34 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 424 + C_GB1_34 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 430 + C_GB1_34 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 431 + C_GB1_34 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 432 + C_GB1_34 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 433 + C_GB1_34 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 440 + C_GB1_34 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 442 + C_GB1_34 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 448 + C_GB1_34 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 460 + C_GB1_34 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 462 + C_GB1_34 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 468 + C_GB1_34 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 469 + C_GB1_34 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 470 + C_GB1_34 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 476 + C_GB1_34 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 478 + C_GB1_34 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 484 + C_GB1_34 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 293 485 O_GB1_34 O_GB1_34 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 294 294 O_GB1_34 H_GB1_35 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 294 296 - O_GB1_34 CB_GB1_35 1 0.000000e+00 2.015574e-06 ; 2.986723e-01 -2.015574e-06 1.000000e+00 9.999592e-01 0.004395 0.001132 True md_ensemble 4 294 298 - O_GB1_34 CG_GB1_35 1 0.000000e+00 1.153547e-06 ; 2.851005e-01 -1.153547e-06 5.722192e-02 4.521751e-01 0.004395 0.001132 True md_ensemble 5 294 299 + O_GB1_34 CB_GB1_35 1 0.000000e+00 2.015567e-06 ; 2.986722e-01 -2.015567e-06 1.000000e+00 9.999592e-01 0.004395 0.001132 True md_ensemble 4 294 298 + O_GB1_34 CG_GB1_35 1 0.000000e+00 1.153541e-06 ; 2.851004e-01 -1.153541e-06 5.722192e-02 4.521751e-01 0.004395 0.001132 True md_ensemble 5 294 299 O_GB1_34 OD1_GB1_35 1 0.000000e+00 1.407640e-06 ; 2.898696e-01 -1.407640e-06 4.312054e-01 3.696323e-01 0.004395 0.001132 True md_ensemble 6 294 300 - O_GB1_34 ND2_GB1_35 1 0.000000e+00 9.996621e-07 ; 2.817190e-01 -9.996621e-07 2.341819e-02 2.328453e-01 0.004395 0.001132 True md_ensemble 6 294 301 - O_GB1_34 C_GB1_35 1 0.000000e+00 8.222845e-07 ; 2.771704e-01 -8.222845e-07 1.000000e+00 9.943668e-01 0.004395 0.001132 True md_ensemble 4 294 302 + O_GB1_34 ND2_GB1_35 1 0.000000e+00 9.996686e-07 ; 2.817191e-01 -9.996686e-07 2.341819e-02 2.328453e-01 0.004395 0.001132 True md_ensemble 6 294 301 + O_GB1_34 C_GB1_35 1 0.000000e+00 8.222807e-07 ; 2.771703e-01 -8.222807e-07 1.000000e+00 9.943668e-01 0.004395 0.001132 True md_ensemble 4 294 302 O_GB1_34 O_GB1_35 1 0.000000e+00 1.192014e-06 ; 2.858809e-01 -1.192014e-06 9.999108e-01 7.945868e-01 0.004395 0.001132 True md_ensemble 5 294 303 O_GB1_34 N_GB1_36 1 0.000000e+00 1.314400e-06 ; 2.882188e-01 -1.314400e-06 1.000000e+00 8.762664e-01 0.004395 0.001132 True md_ensemble 5 294 304 - O_GB1_34 H_GB1_36 1 0.000000e+00 1.728603e-08 ; 2.008952e-01 -1.728603e-08 6.967045e-02 1.837339e-01 0.004395 0.001132 True md_ensemble 6 294 305 - O_GB1_34 CA_GB1_36 1 0.000000e+00 2.198428e-06 ; 3.008415e-01 -2.198428e-06 9.919574e-01 5.212535e-01 0.004395 0.001132 True md_ensemble 6 294 306 + O_GB1_34 H_GB1_36 1 0.000000e+00 1.728630e-08 ; 2.008955e-01 -1.728630e-08 6.967045e-02 1.837339e-01 0.004395 0.001132 True md_ensemble 6 294 305 + O_GB1_34 CA_GB1_36 1 0.000000e+00 2.198446e-06 ; 3.008417e-01 -2.198446e-06 9.919574e-01 5.212535e-01 0.004395 0.001132 True md_ensemble 6 294 306 O_GB1_34 CB_GB1_36 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 3.838542e-03 1.101950e-01 0.004395 0.007862 True md_ensemble 7 294 307 O_GB1_34 OD1_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 294 309 O_GB1_34 OD2_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 294 310 @@ -37037,7 +37037,7 @@ CE2_GB1_33 ND2_GB1_37 1 9.678075e-04 6.918082e-07 ; 2.990195e-01 3.384794e- O_GB1_34 CB_GB1_37 1 1.210334e-03 1.520271e-06 ; 3.284752e-01 2.408959e-01 9.789048e-01 6.377972e-02 0.004395 0.007862 True md_ensemble 7 294 316 O_GB1_34 CG_GB1_37 1 1.040368e-03 3.293691e-06 ; 3.831916e-01 8.215451e-02 1.630871e-02 3.396201e-02 0.004395 0.011584 True md_ensemble 7 294 317 O_GB1_34 OD1_GB1_37 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 294 318 - O_GB1_34 ND2_GB1_37 1 0.000000e+00 8.473739e-07 ; 2.778655e-01 -8.473739e-07 1.318601e-02 3.836946e-02 0.004395 0.011584 True md_ensemble 7 294 319 + O_GB1_34 ND2_GB1_37 1 0.000000e+00 8.473795e-07 ; 2.778656e-01 -8.473795e-07 1.318601e-02 3.836946e-02 0.004395 0.011584 True md_ensemble 7 294 319 O_GB1_34 C_GB1_37 1 1.005280e-03 8.771244e-07 ; 3.091214e-01 2.880401e-01 9.987231e-01 3.844847e-02 0.004395 0.011584 True md_ensemble 7 294 320 O_GB1_34 O_GB1_37 1 1.745774e-03 5.366456e-06 ; 3.813145e-01 1.419804e-01 7.555048e-01 4.820031e-02 0.004395 0.001132 True md_ensemble 7 294 321 O_GB1_34 N_GB1_38 1 2.971676e-04 8.382655e-08 ; 2.560924e-01 2.633670e-01 1.000000e+00 6.210631e-02 0.004395 0.011584 True md_ensemble 7 294 322 @@ -37128,75 +37128,75 @@ CE2_GB1_33 ND2_GB1_37 1 9.678075e-04 6.918082e-07 ; 2.990195e-01 3.384794e- O_GB1_34 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 294 488 O_GB1_34 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 294 490 O_GB1_34 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 294 491 - N_GB1_35 CB_GB1_35 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 298 + N_GB1_35 CB_GB1_35 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 298 N_GB1_35 OD1_GB1_35 1 0.000000e+00 1.443661e-06 ; 2.904806e-01 -1.443661e-06 9.696617e-01 9.321025e-01 0.004395 0.001132 True md_ensemble 4 295 300 - N_GB1_35 ND2_GB1_35 1 0.000000e+00 1.441100e-06 ; 2.904376e-01 -1.441100e-06 9.500029e-01 9.059900e-01 0.004395 0.001132 True md_ensemble 4 295 301 - N_GB1_35 CA_GB1_36 1 0.000000e+00 7.574607e-06 ; 3.335096e-01 -7.574607e-06 1.000000e+00 9.999488e-01 0.004395 0.001132 True md_ensemble 4 295 306 - N_GB1_35 CB_GB1_36 1 0.000000e+00 2.425705e-06 ; 3.033180e-01 -2.425705e-06 7.504534e-01 4.103150e-01 0.004395 0.001132 True md_ensemble 5 295 307 + N_GB1_35 ND2_GB1_35 1 0.000000e+00 1.441096e-06 ; 2.904375e-01 -1.441096e-06 9.500029e-01 9.059900e-01 0.004395 0.001132 True md_ensemble 4 295 301 + N_GB1_35 CA_GB1_36 1 0.000000e+00 7.574595e-06 ; 3.335096e-01 -7.574595e-06 1.000000e+00 9.999488e-01 0.004395 0.001132 True md_ensemble 4 295 306 + N_GB1_35 CB_GB1_36 1 0.000000e+00 2.425673e-06 ; 3.033177e-01 -2.425673e-06 7.504534e-01 4.103150e-01 0.004395 0.001132 True md_ensemble 5 295 307 N_GB1_35 CG_GB1_36 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 5.282000e-05 4.939786e-02 0.004395 0.001132 True md_ensemble 6 295 308 N_GB1_35 C_GB1_36 1 1.429063e-03 7.057662e-06 ; 4.126687e-01 7.234058e-02 3.935850e-01 9.684503e-02 0.004395 0.001132 True md_ensemble 5 295 311 N_GB1_35 O_GB1_36 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 0.000000e+00 1.534205e-01 0.004395 0.001132 True md_ensemble 6 295 312 N_GB1_35 N_GB1_37 1 1.552404e-03 4.436278e-06 ; 3.767058e-01 1.358097e-01 8.794662e-01 6.323781e-02 0.004395 0.001132 True md_ensemble 6 295 313 N_GB1_35 CA_GB1_37 1 1.055324e-02 1.055534e-04 ; 4.641743e-01 2.637785e-01 7.127841e-01 3.215825e-02 0.004395 0.008482 True md_ensemble 7 295 315 - N_GB1_35 CB_GB1_37 1 0.000000e+00 3.643529e-06 ; 3.137775e-01 -3.643529e-06 1.530214e-02 6.446865e-03 0.004395 0.001132 True md_ensemble 7 295 316 + N_GB1_35 CB_GB1_37 1 0.000000e+00 3.643481e-06 ; 3.137772e-01 -3.643481e-06 1.530214e-02 6.446865e-03 0.004395 0.001132 True md_ensemble 7 295 316 N_GB1_35 N_GB1_38 1 2.662718e-03 9.726020e-06 ; 3.924355e-01 1.822448e-01 1.569076e-01 4.586819e-03 0.004395 0.001132 True md_ensemble 7 295 322 N_GB1_35 CA_GB1_38 1 6.308440e-03 4.800475e-05 ; 4.435001e-01 2.072525e-01 7.874556e-02 1.184886e-02 0.004395 0.009458 True md_ensemble 7 295 324 N_GB1_35 N_GB1_39 1 2.781210e-03 1.003287e-05 ; 3.916204e-01 1.927446e-01 4.744906e-02 6.322341e-08 0.004395 0.001132 True md_ensemble 7 295 327 N_GB1_35 CA_GB1_39 1 1.063573e-02 1.016728e-04 ; 4.606873e-01 2.781443e-01 2.483820e-01 1.192821e-03 0.004395 0.008482 True md_ensemble 7 295 329 N_GB1_35 CB_GB1_39 1 7.867051e-03 6.864497e-05 ; 4.537320e-01 2.254007e-01 2.287985e-01 2.897581e-03 0.004395 0.001132 True md_ensemble 7 295 330 - N_GB1_35 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 331 - N_GB1_35 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 332 + N_GB1_35 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 331 + N_GB1_35 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 332 N_GB1_35 C_GB1_39 1 2.906116e-03 1.243667e-05 ; 4.029321e-01 1.697703e-01 3.039701e-02 1.142202e-04 0.004395 0.011584 True md_ensemble 7 295 333 N_GB1_35 O_GB1_39 1 2.095378e-03 3.485348e-06 ; 3.442156e-01 3.149335e-01 5.067701e-01 2.059858e-03 0.004395 0.011584 True md_ensemble 7 295 334 N_GB1_35 N_GB1_40 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 4.565000e-06 0.000000e+00 0.004395 0.001132 True md_ensemble 7 295 335 - N_GB1_35 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 338 + N_GB1_35 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 338 N_GB1_35 N_GB1_41 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 3.794775e-05 0.004395 0.001132 True md_ensemble 7 295 344 - N_GB1_35 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 346 + N_GB1_35 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 346 N_GB1_35 N_GB1_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 295 349 - N_GB1_35 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 352 - N_GB1_35 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 353 + N_GB1_35 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 352 + N_GB1_35 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 353 N_GB1_35 N_GB1_43 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 295 359 - N_GB1_35 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 362 + N_GB1_35 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 362 N_GB1_35 N_GB1_44 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 295 374 - N_GB1_35 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 377 - N_GB1_35 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 379 + N_GB1_35 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 377 + N_GB1_35 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 379 N_GB1_35 N_GB1_45 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 295 382 - N_GB1_35 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 385 + N_GB1_35 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 385 N_GB1_35 N_GB1_46 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 295 395 - N_GB1_35 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 398 + N_GB1_35 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 398 N_GB1_35 N_GB1_47 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 295 404 - N_GB1_35 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 407 + N_GB1_35 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 407 N_GB1_35 N_GB1_48 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 295 413 - N_GB1_35 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 416 + N_GB1_35 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 416 N_GB1_35 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 295 419 - N_GB1_35 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 422 - N_GB1_35 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 424 + N_GB1_35 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 422 + N_GB1_35 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 424 N_GB1_35 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 295 427 - N_GB1_35 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 430 - N_GB1_35 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 431 - N_GB1_35 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 432 - N_GB1_35 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 433 + N_GB1_35 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 430 + N_GB1_35 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 431 + N_GB1_35 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 432 + N_GB1_35 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 433 N_GB1_35 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 295 434 N_GB1_35 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 295 437 - N_GB1_35 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 440 - N_GB1_35 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 442 + N_GB1_35 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 440 + N_GB1_35 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 442 N_GB1_35 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 295 445 - N_GB1_35 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 448 + N_GB1_35 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 448 N_GB1_35 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 295 457 - N_GB1_35 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 460 - N_GB1_35 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 462 + N_GB1_35 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 460 + N_GB1_35 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 462 N_GB1_35 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 295 465 - N_GB1_35 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 468 - N_GB1_35 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 469 - N_GB1_35 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 470 + N_GB1_35 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 468 + N_GB1_35 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 469 + N_GB1_35 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 470 N_GB1_35 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 295 473 - N_GB1_35 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 476 - N_GB1_35 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 478 + N_GB1_35 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 476 + N_GB1_35 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 478 N_GB1_35 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 295 481 - N_GB1_35 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 484 - N_GB1_35 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 485 + N_GB1_35 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 484 + N_GB1_35 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 295 485 H_GB1_35 H_GB1_35 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 296 296 - H_GB1_35 OD1_GB1_35 1 0.000000e+00 1.313443e-08 ; 1.963493e-01 -1.313443e-08 3.296343e-01 1.761322e-01 0.004395 0.001132 True md_ensemble 5 296 300 + H_GB1_35 OD1_GB1_35 1 0.000000e+00 1.313464e-08 ; 1.963495e-01 -1.313464e-08 3.296343e-01 1.761322e-01 0.004395 0.001132 True md_ensemble 5 296 300 H_GB1_35 O_GB1_35 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 296 303 H_GB1_35 H_GB1_36 1 0.000000e+00 6.716262e-09 ; 1.856759e-01 -6.716262e-09 9.645777e-01 5.242662e-01 0.004395 0.001132 True md_ensemble 5 296 305 H_GB1_35 OD1_GB1_36 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 296 309 @@ -37260,14 +37260,14 @@ CE2_GB1_33 ND2_GB1_37 1 9.678075e-04 6.918082e-07 ; 2.990195e-01 3.384794e- H_GB1_35 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 296 488 H_GB1_35 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 296 490 H_GB1_35 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 296 491 - CA_GB1_35 CB_GB1_36 1 0.000000e+00 3.181367e-05 ; 3.758773e-01 -3.181367e-05 9.999994e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 297 307 - CA_GB1_35 CG_GB1_36 1 0.000000e+00 1.654430e-05 ; 3.559446e-01 -1.654430e-05 3.737238e-01 6.413051e-01 0.004395 0.001132 True md_ensemble 5 297 308 - CA_GB1_35 OD1_GB1_36 1 0.000000e+00 3.818818e-06 ; 3.150086e-01 -3.818818e-06 7.176001e-02 2.075661e-01 0.004395 0.001132 True md_ensemble 6 297 309 - CA_GB1_35 OD2_GB1_36 1 0.000000e+00 3.818818e-06 ; 3.150086e-01 -3.818818e-06 7.176001e-02 2.075661e-01 0.004395 0.001132 True md_ensemble 6 297 310 - CA_GB1_35 C_GB1_36 1 0.000000e+00 1.305170e-05 ; 3.489801e-01 -1.305170e-05 1.000000e+00 9.999877e-01 0.004395 0.001132 True md_ensemble 4 297 311 - CA_GB1_35 O_GB1_36 1 0.000000e+00 6.202944e-06 ; 3.280033e-01 -6.202944e-06 3.766029e-02 5.310880e-01 0.004395 0.001132 True md_ensemble 5 297 312 - CA_GB1_35 N_GB1_37 1 0.000000e+00 4.360032e-06 ; 3.185071e-01 -4.360032e-06 1.000000e+00 5.755822e-01 0.004395 0.001132 True md_ensemble 5 297 313 - CA_GB1_35 CA_GB1_37 1 0.000000e+00 3.739443e-05 ; 3.809742e-01 -3.739443e-05 9.999900e-01 5.704119e-01 0.004395 0.001132 True md_ensemble 6 297 315 + CA_GB1_35 CB_GB1_36 1 0.000000e+00 3.181354e-05 ; 3.758772e-01 -3.181354e-05 9.999994e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 297 307 + CA_GB1_35 CG_GB1_36 1 0.000000e+00 1.654421e-05 ; 3.559444e-01 -1.654421e-05 3.737238e-01 6.413051e-01 0.004395 0.001132 True md_ensemble 5 297 308 + CA_GB1_35 OD1_GB1_36 1 0.000000e+00 3.818849e-06 ; 3.150088e-01 -3.818849e-06 7.176001e-02 2.075661e-01 0.004395 0.001132 True md_ensemble 6 297 309 + CA_GB1_35 OD2_GB1_36 1 0.000000e+00 3.818849e-06 ; 3.150088e-01 -3.818849e-06 7.176001e-02 2.075661e-01 0.004395 0.001132 True md_ensemble 6 297 310 + CA_GB1_35 C_GB1_36 1 0.000000e+00 1.305164e-05 ; 3.489799e-01 -1.305164e-05 1.000000e+00 9.999877e-01 0.004395 0.001132 True md_ensemble 4 297 311 + CA_GB1_35 O_GB1_36 1 0.000000e+00 6.202993e-06 ; 3.280035e-01 -6.202993e-06 3.766029e-02 5.310880e-01 0.004395 0.001132 True md_ensemble 5 297 312 + CA_GB1_35 N_GB1_37 1 0.000000e+00 4.360025e-06 ; 3.185071e-01 -4.360025e-06 1.000000e+00 5.755822e-01 0.004395 0.001132 True md_ensemble 5 297 313 + CA_GB1_35 CA_GB1_37 1 0.000000e+00 3.739470e-05 ; 3.809744e-01 -3.739470e-05 9.999900e-01 5.704119e-01 0.004395 0.001132 True md_ensemble 6 297 315 CA_GB1_35 CB_GB1_37 1 1.322081e-02 2.782439e-04 ; 5.254458e-01 1.570472e-01 5.990449e-01 1.794732e-01 0.004395 0.007117 True md_ensemble 7 297 316 CA_GB1_35 C_GB1_37 1 9.277330e-03 9.940993e-05 ; 4.695348e-01 2.164493e-01 9.266676e-01 1.046334e-01 0.004395 0.008482 True md_ensemble 7 297 320 CA_GB1_35 N_GB1_38 1 2.469281e-03 7.451640e-06 ; 3.801429e-01 2.045639e-01 9.996057e-01 1.421117e-01 0.004395 0.008482 True md_ensemble 7 297 322 @@ -37285,164 +37285,164 @@ CE2_GB1_33 ND2_GB1_37 1 9.678075e-04 6.918082e-07 ; 2.990195e-01 3.384794e- CA_GB1_35 CG_GB1_40 1 3.052451e-03 1.944468e-05 ; 4.305518e-01 1.197944e-01 1.153812e-02 7.229396e-03 0.004395 0.008482 True md_ensemble 7 297 339 CA_GB1_35 OD1_GB1_40 1 8.160354e-04 1.420339e-06 ; 3.468278e-01 1.172103e-01 1.097444e-02 5.285829e-03 0.004395 0.008483 True md_ensemble 7 297 340 CA_GB1_35 OD2_GB1_40 1 8.160354e-04 1.420339e-06 ; 3.468278e-01 1.172103e-01 1.097444e-02 5.285829e-03 0.004395 0.008483 True md_ensemble 7 297 341 - CB_GB1_35 CG_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 299 + CB_GB1_35 CG_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 299 CB_GB1_35 OD1_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 300 - CB_GB1_35 ND2_GB1_35 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 301 - CB_GB1_35 C_GB1_35 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 302 + CB_GB1_35 ND2_GB1_35 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 301 + CB_GB1_35 C_GB1_35 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 302 CB_GB1_35 O_GB1_35 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 303 - CB_GB1_35 N_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 304 - CB_GB1_35 CA_GB1_36 1 0.000000e+00 3.181363e-05 ; 3.758773e-01 -3.181363e-05 1.000000e+00 9.999992e-01 0.004395 0.001132 True md_ensemble 4 298 306 - CB_GB1_35 CB_GB1_36 1 0.000000e+00 9.932865e-06 ; 3.411284e-01 -9.932865e-06 9.339568e-01 5.773229e-01 0.004395 0.001132 True md_ensemble 5 298 307 - CB_GB1_35 CG_GB1_36 1 0.000000e+00 6.427863e-06 ; 3.289783e-01 -6.427863e-06 1.429018e-01 1.577270e-01 0.004395 0.001132 True md_ensemble 6 298 308 - CB_GB1_35 OD1_GB1_36 1 0.000000e+00 1.647392e-06 ; 2.936938e-01 -1.647392e-06 4.734123e-02 5.698785e-02 0.004395 0.001132 True md_ensemble 7 298 309 - CB_GB1_35 OD2_GB1_36 1 0.000000e+00 1.647392e-06 ; 2.936938e-01 -1.647392e-06 4.734123e-02 5.698785e-02 0.004395 0.001132 True md_ensemble 7 298 310 - CB_GB1_35 C_GB1_36 1 0.000000e+00 8.325451e-06 ; 3.361468e-01 -8.325451e-06 4.052215e-02 3.549367e-01 0.004395 0.001132 True md_ensemble 5 298 311 + CB_GB1_35 N_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 304 + CB_GB1_35 CA_GB1_36 1 0.000000e+00 3.181349e-05 ; 3.758772e-01 -3.181349e-05 1.000000e+00 9.999992e-01 0.004395 0.001132 True md_ensemble 4 298 306 + CB_GB1_35 CB_GB1_36 1 0.000000e+00 9.932707e-06 ; 3.411280e-01 -9.932707e-06 9.339568e-01 5.773229e-01 0.004395 0.001132 True md_ensemble 5 298 307 + CB_GB1_35 CG_GB1_36 1 0.000000e+00 6.427755e-06 ; 3.289778e-01 -6.427755e-06 1.429018e-01 1.577270e-01 0.004395 0.001132 True md_ensemble 6 298 308 + CB_GB1_35 OD1_GB1_36 1 0.000000e+00 1.647386e-06 ; 2.936937e-01 -1.647386e-06 4.734123e-02 5.698785e-02 0.004395 0.001132 True md_ensemble 7 298 309 + CB_GB1_35 OD2_GB1_36 1 0.000000e+00 1.647386e-06 ; 2.936937e-01 -1.647386e-06 4.734123e-02 5.698785e-02 0.004395 0.001132 True md_ensemble 7 298 310 + CB_GB1_35 C_GB1_36 1 0.000000e+00 8.325311e-06 ; 3.361463e-01 -8.325311e-06 4.052215e-02 3.549367e-01 0.004395 0.001132 True md_ensemble 5 298 311 CB_GB1_35 O_GB1_36 1 0.000000e+00 2.015656e-06 ; 2.986733e-01 -2.015656e-06 0.000000e+00 1.256600e-01 0.004395 0.001132 True md_ensemble 6 298 312 - CB_GB1_35 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 313 - CB_GB1_35 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 317 + CB_GB1_35 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 313 + CB_GB1_35 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 317 CB_GB1_35 OD1_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.098236e-02 0.004395 0.007862 True md_ensemble 7 298 318 - CB_GB1_35 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 319 - CB_GB1_35 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 320 + CB_GB1_35 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 319 + CB_GB1_35 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 320 CB_GB1_35 O_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.942562e-02 0.004395 0.007862 True md_ensemble 7 298 321 - CB_GB1_35 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 322 + CB_GB1_35 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 322 CB_GB1_35 CA_GB1_38 1 5.377245e-03 8.008775e-05 ; 4.960221e-01 9.025964e-02 7.211876e-02 8.708938e-02 0.004395 0.007860 True md_ensemble 7 298 324 - CB_GB1_35 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 325 + CB_GB1_35 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 325 CB_GB1_35 O_GB1_38 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.628138e-02 0.004395 0.007862 True md_ensemble 7 298 326 - CB_GB1_35 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 327 + CB_GB1_35 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 327 CB_GB1_35 CA_GB1_39 1 6.759329e-03 1.444584e-04 ; 5.267929e-01 7.906864e-02 2.030198e-02 2.757403e-02 0.004395 0.007117 True md_ensemble 7 298 329 - CB_GB1_35 C_GB1_39 1 0.000000e+00 6.296606e-06 ; 3.284132e-01 -6.296606e-06 1.125042e-02 5.352883e-03 0.004395 0.001132 True md_ensemble 7 298 333 + CB_GB1_35 C_GB1_39 1 0.000000e+00 6.296501e-06 ; 3.284127e-01 -6.296501e-06 1.125042e-02 5.352883e-03 0.004395 0.001132 True md_ensemble 7 298 333 CB_GB1_35 O_GB1_39 1 2.637246e-03 8.676126e-06 ; 3.856522e-01 2.004082e-01 5.504785e-02 7.350761e-03 0.004395 0.007862 True md_ensemble 7 298 334 - CB_GB1_35 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 335 + CB_GB1_35 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 335 CB_GB1_35 CA_GB1_40 1 7.355683e-03 1.204945e-04 ; 5.039538e-01 1.122584e-01 1.642937e-02 1.172715e-02 0.004395 0.007117 True md_ensemble 7 298 337 CB_GB1_35 CB_GB1_40 1 3.257484e-03 3.228900e-05 ; 4.634776e-01 8.215800e-02 7.176682e-03 1.014005e-02 0.004395 0.007860 True md_ensemble 7 298 338 - CB_GB1_35 CG_GB1_40 1 0.000000e+00 6.353579e-06 ; 3.286598e-01 -6.353579e-06 4.823480e-03 7.920823e-03 0.004395 0.001132 True md_ensemble 7 298 339 - CB_GB1_35 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 340 - CB_GB1_35 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 341 - CB_GB1_35 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 342 + CB_GB1_35 CG_GB1_40 1 0.000000e+00 6.353473e-06 ; 3.286593e-01 -6.353473e-06 4.823480e-03 7.920823e-03 0.004395 0.001132 True md_ensemble 7 298 339 + CB_GB1_35 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 340 + CB_GB1_35 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 341 + CB_GB1_35 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 342 CB_GB1_35 O_GB1_40 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.484848e-03 0.004395 0.007862 True md_ensemble 7 298 343 - CB_GB1_35 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 344 - CB_GB1_35 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 347 + CB_GB1_35 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 344 + CB_GB1_35 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 347 CB_GB1_35 O_GB1_41 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.785464e-03 0.004395 0.007862 True md_ensemble 7 298 348 - CB_GB1_35 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 349 - CB_GB1_35 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 354 - CB_GB1_35 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 355 - CB_GB1_35 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 356 - CB_GB1_35 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 357 + CB_GB1_35 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 349 + CB_GB1_35 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 354 + CB_GB1_35 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 355 + CB_GB1_35 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 356 + CB_GB1_35 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 357 CB_GB1_35 O_GB1_42 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 8.749110e-04 0.004395 0.007862 True md_ensemble 7 298 358 - CB_GB1_35 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 359 - CB_GB1_35 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 366 - CB_GB1_35 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 372 + CB_GB1_35 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 359 + CB_GB1_35 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 366 + CB_GB1_35 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 372 CB_GB1_35 O_GB1_43 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.712893e-04 0.004395 0.007862 True md_ensemble 7 298 373 - CB_GB1_35 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 374 - CB_GB1_35 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 378 - CB_GB1_35 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 380 + CB_GB1_35 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 374 + CB_GB1_35 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 378 + CB_GB1_35 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 380 CB_GB1_35 O_GB1_44 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.000445e-04 0.004395 0.007862 True md_ensemble 7 298 381 - CB_GB1_35 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 382 - CB_GB1_35 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 392 - CB_GB1_35 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 393 + CB_GB1_35 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 382 + CB_GB1_35 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 392 + CB_GB1_35 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 393 CB_GB1_35 O_GB1_45 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 8.796892e-05 0.004395 0.007862 True md_ensemble 7 298 394 - CB_GB1_35 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 395 - CB_GB1_35 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 399 - CB_GB1_35 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 400 - CB_GB1_35 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 401 - CB_GB1_35 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 402 + CB_GB1_35 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 395 + CB_GB1_35 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 399 + CB_GB1_35 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 400 + CB_GB1_35 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 401 + CB_GB1_35 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 402 CB_GB1_35 O_GB1_46 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.126894e-04 0.004395 0.007862 True md_ensemble 7 298 403 - CB_GB1_35 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 404 - CB_GB1_35 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 408 - CB_GB1_35 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 409 - CB_GB1_35 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 410 - CB_GB1_35 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 411 + CB_GB1_35 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 404 + CB_GB1_35 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 408 + CB_GB1_35 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 409 + CB_GB1_35 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 410 + CB_GB1_35 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 411 CB_GB1_35 O_GB1_47 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.181859e-04 0.004395 0.007862 True md_ensemble 7 298 412 - CB_GB1_35 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 413 - CB_GB1_35 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 417 + CB_GB1_35 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 413 + CB_GB1_35 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 417 CB_GB1_35 O_GB1_48 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.532076e-04 0.004395 0.007862 True md_ensemble 7 298 418 - CB_GB1_35 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 419 - CB_GB1_35 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 423 - CB_GB1_35 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 425 + CB_GB1_35 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 419 + CB_GB1_35 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 423 + CB_GB1_35 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 425 CB_GB1_35 O_GB1_49 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 298 426 - CB_GB1_35 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 427 - CB_GB1_35 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 434 - CB_GB1_35 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 435 + CB_GB1_35 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 427 + CB_GB1_35 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 434 + CB_GB1_35 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 435 CB_GB1_35 O_GB1_50 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 8.755843e-05 0.004395 0.007862 True md_ensemble 7 298 436 - CB_GB1_35 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 437 - CB_GB1_35 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 441 - CB_GB1_35 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 443 + CB_GB1_35 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 437 + CB_GB1_35 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 441 + CB_GB1_35 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 443 CB_GB1_35 O_GB1_51 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.031142e-04 0.004395 0.007862 True md_ensemble 7 298 444 - CB_GB1_35 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 445 - CB_GB1_35 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 455 + CB_GB1_35 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 445 + CB_GB1_35 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 455 CB_GB1_35 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.221357e-04 0.004395 0.007862 True md_ensemble 7 298 456 - CB_GB1_35 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 457 - CB_GB1_35 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 461 - CB_GB1_35 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 463 + CB_GB1_35 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 457 + CB_GB1_35 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 461 + CB_GB1_35 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 463 CB_GB1_35 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.669394e-04 0.004395 0.007862 True md_ensemble 7 298 464 - CB_GB1_35 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 465 - CB_GB1_35 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 471 + CB_GB1_35 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 465 + CB_GB1_35 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 471 CB_GB1_35 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.933957e-04 0.004395 0.007862 True md_ensemble 7 298 472 - CB_GB1_35 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 473 - CB_GB1_35 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 477 - CB_GB1_35 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 479 + CB_GB1_35 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 473 + CB_GB1_35 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 477 + CB_GB1_35 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 479 CB_GB1_35 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 298 480 - CB_GB1_35 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 481 - CB_GB1_35 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 486 - CB_GB1_35 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 487 - CB_GB1_35 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 488 - CB_GB1_35 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 489 - CB_GB1_35 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 490 - CB_GB1_35 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 491 - CG_GB1_35 O_GB1_35 1 0.000000e+00 7.514108e-07 ; 2.750963e-01 -7.514108e-07 7.591202e-01 6.677813e-01 0.004395 0.001132 True md_ensemble 4 299 303 - CG_GB1_35 N_GB1_36 1 0.000000e+00 1.446165e-06 ; 2.905225e-01 -1.446165e-06 7.100587e-01 6.689595e-01 0.004395 0.001132 True md_ensemble 4 299 304 - CG_GB1_35 CA_GB1_36 1 0.000000e+00 1.498515e-05 ; 3.530206e-01 -1.498515e-05 2.023446e-01 3.504679e-01 0.004395 0.001132 True md_ensemble 5 299 306 - CG_GB1_35 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 307 + CB_GB1_35 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 481 + CB_GB1_35 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 486 + CB_GB1_35 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 487 + CB_GB1_35 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 488 + CB_GB1_35 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 489 + CB_GB1_35 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 490 + CB_GB1_35 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 298 491 + CG_GB1_35 O_GB1_35 1 0.000000e+00 7.514073e-07 ; 2.750962e-01 -7.514073e-07 7.591202e-01 6.677813e-01 0.004395 0.001132 True md_ensemble 4 299 303 + CG_GB1_35 N_GB1_36 1 0.000000e+00 1.446145e-06 ; 2.905222e-01 -1.446145e-06 7.100587e-01 6.689595e-01 0.004395 0.001132 True md_ensemble 4 299 304 + CG_GB1_35 CA_GB1_36 1 0.000000e+00 1.498507e-05 ; 3.530205e-01 -1.498507e-05 2.023446e-01 3.504679e-01 0.004395 0.001132 True md_ensemble 5 299 306 + CG_GB1_35 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 307 CG_GB1_35 C_GB1_36 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 0.000000e+00 6.550222e-02 0.004395 0.001132 True md_ensemble 6 299 311 - CG_GB1_35 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 316 - CG_GB1_35 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 324 - CG_GB1_35 CA_GB1_39 1 0.000000e+00 1.313493e-05 ; 3.491650e-01 -1.313493e-05 5.362627e-03 1.172711e-02 0.004395 0.008482 True md_ensemble 7 299 329 - CG_GB1_35 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 330 - CG_GB1_35 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 331 - CG_GB1_35 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 332 + CG_GB1_35 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 316 + CG_GB1_35 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 324 + CG_GB1_35 CA_GB1_39 1 0.000000e+00 1.313487e-05 ; 3.491648e-01 -1.313487e-05 5.362627e-03 1.172711e-02 0.004395 0.008482 True md_ensemble 7 299 329 + CG_GB1_35 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 330 + CG_GB1_35 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 331 + CG_GB1_35 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 332 CG_GB1_35 C_GB1_39 1 2.850709e-03 1.495056e-05 ; 4.168221e-01 1.358903e-01 1.576267e-02 4.774618e-03 0.004395 0.011584 True md_ensemble 7 299 333 CG_GB1_35 O_GB1_39 1 1.388553e-03 2.191279e-06 ; 3.412106e-01 2.199717e-01 8.043136e-02 7.586000e-03 0.004395 0.011584 True md_ensemble 7 299 334 CG_GB1_35 CA_GB1_40 1 5.318206e-03 4.127899e-05 ; 4.449665e-01 1.712937e-01 4.028597e-02 1.091489e-02 0.004395 0.008482 True md_ensemble 7 299 337 - CG_GB1_35 CB_GB1_40 1 0.000000e+00 6.302897e-06 ; 3.284405e-01 -6.302897e-06 1.423051e-02 9.326183e-03 0.004395 0.001132 True md_ensemble 7 299 338 + CG_GB1_35 CB_GB1_40 1 0.000000e+00 6.302791e-06 ; 3.284400e-01 -6.302791e-06 1.423051e-02 9.326183e-03 0.004395 0.001132 True md_ensemble 7 299 338 CG_GB1_35 CG_GB1_40 1 1.741865e-03 6.507147e-06 ; 3.939091e-01 1.165678e-01 1.083861e-02 7.095533e-03 0.004395 0.011584 True md_ensemble 7 299 339 CG_GB1_35 OD1_GB1_40 1 5.883238e-04 8.293600e-07 ; 3.348532e-01 1.043349e-01 8.550620e-03 5.532180e-03 0.004395 0.011584 True md_ensemble 7 299 340 CG_GB1_35 OD2_GB1_40 1 5.883238e-04 8.293600e-07 ; 3.348532e-01 1.043349e-01 8.550620e-03 5.532180e-03 0.004395 0.011584 True md_ensemble 7 299 341 - CG_GB1_35 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 346 - CG_GB1_35 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 352 - CG_GB1_35 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 353 - CG_GB1_35 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 362 + CG_GB1_35 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 346 + CG_GB1_35 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 352 + CG_GB1_35 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 353 + CG_GB1_35 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 362 CG_GB1_35 NE1_GB1_43 1 6.670302e-04 1.497817e-06 ; 3.618697e-01 7.426295e-02 4.773670e-03 4.480562e-03 0.004395 0.011584 True md_ensemble 7 299 366 CG_GB1_35 CZ2_GB1_43 1 1.660285e-03 6.196832e-06 ; 3.938503e-01 1.112079e-01 9.769092e-03 7.908801e-03 0.004395 0.015243 True md_ensemble 7 299 369 - CG_GB1_35 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 377 - CG_GB1_35 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 379 - CG_GB1_35 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 385 - CG_GB1_35 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 398 - CG_GB1_35 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 407 - CG_GB1_35 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 416 - CG_GB1_35 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 422 - CG_GB1_35 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 424 - CG_GB1_35 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 430 - CG_GB1_35 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 431 - CG_GB1_35 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 432 - CG_GB1_35 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 433 - CG_GB1_35 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 440 - CG_GB1_35 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 442 - CG_GB1_35 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 448 - CG_GB1_35 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 460 - CG_GB1_35 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 462 - CG_GB1_35 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 468 - CG_GB1_35 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 469 - CG_GB1_35 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 470 - CG_GB1_35 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 476 - CG_GB1_35 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 478 - CG_GB1_35 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 484 - CG_GB1_35 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 485 + CG_GB1_35 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 377 + CG_GB1_35 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 379 + CG_GB1_35 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 385 + CG_GB1_35 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 398 + CG_GB1_35 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 407 + CG_GB1_35 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 416 + CG_GB1_35 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 422 + CG_GB1_35 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 424 + CG_GB1_35 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 430 + CG_GB1_35 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 431 + CG_GB1_35 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 432 + CG_GB1_35 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 433 + CG_GB1_35 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 440 + CG_GB1_35 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 442 + CG_GB1_35 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 448 + CG_GB1_35 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 460 + CG_GB1_35 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 462 + CG_GB1_35 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 468 + CG_GB1_35 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 469 + CG_GB1_35 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 470 + CG_GB1_35 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 476 + CG_GB1_35 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 478 + CG_GB1_35 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 484 + CG_GB1_35 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 299 485 OD1_GB1_35 OD1_GB1_35 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 300 300 -OD1_GB1_35 C_GB1_35 1 0.000000e+00 6.020094e-07 ; 2.700610e-01 -6.020094e-07 8.569892e-01 5.849832e-01 0.004395 0.001132 True md_ensemble 4 300 302 +OD1_GB1_35 C_GB1_35 1 0.000000e+00 6.020067e-07 ; 2.700609e-01 -6.020067e-07 8.569892e-01 5.849832e-01 0.004395 0.001132 True md_ensemble 4 300 302 OD1_GB1_35 O_GB1_35 1 0.000000e+00 1.230949e-06 ; 2.866476e-01 -1.230949e-06 5.510621e-01 3.716950e-01 0.004395 0.001132 True md_ensemble 5 300 303 OD1_GB1_35 N_GB1_36 1 0.000000e+00 1.724131e-06 ; 2.948102e-01 -1.724131e-06 1.438103e-01 2.932311e-01 0.004395 0.001132 True md_ensemble 5 300 304 OD1_GB1_35 H_GB1_36 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 300 305 -OD1_GB1_35 CA_GB1_36 1 0.000000e+00 4.455681e-06 ; 3.190836e-01 -4.455681e-06 7.599655e-02 1.487513e-01 0.004395 0.001132 True md_ensemble 6 300 306 +OD1_GB1_35 CA_GB1_36 1 0.000000e+00 4.455716e-06 ; 3.190838e-01 -4.455716e-06 7.599655e-02 1.487513e-01 0.004395 0.001132 True md_ensemble 6 300 306 OD1_GB1_35 CB_GB1_36 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 1.282722e-03 2.732019e-02 0.004395 0.007862 True md_ensemble 7 300 307 OD1_GB1_35 OD1_GB1_36 1 0.000000e+00 1.519105e-06 ; 2.917163e-01 -1.519105e-06 1.346023e-02 2.619663e-02 0.004395 0.001132 True md_ensemble 7 300 309 OD1_GB1_35 OD2_GB1_36 1 0.000000e+00 1.519105e-06 ; 2.917163e-01 -1.519105e-06 1.346023e-02 2.619663e-02 0.004395 0.001132 True md_ensemble 7 300 310 @@ -37541,116 +37541,116 @@ OD1_GB1_35 OE1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- OD1_GB1_35 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 300 488 OD1_GB1_35 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 300 490 OD1_GB1_35 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 300 491 -ND2_GB1_35 C_GB1_35 1 0.000000e+00 2.790916e-06 ; 3.068837e-01 -2.790916e-06 8.532027e-01 9.277221e-01 0.004395 0.001132 True md_ensemble 4 301 302 -ND2_GB1_35 O_GB1_35 1 0.000000e+00 8.746537e-07 ; 2.786001e-01 -8.746537e-07 2.033515e-01 2.615390e-01 0.004395 0.001132 True md_ensemble 5 301 303 -ND2_GB1_35 N_GB1_36 1 0.000000e+00 1.749838e-06 ; 2.951740e-01 -1.749838e-06 9.114686e-02 2.519423e-01 0.004395 0.001132 True md_ensemble 5 301 304 -ND2_GB1_35 CA_GB1_36 1 0.000000e+00 1.443076e-05 ; 3.519134e-01 -1.443076e-05 8.334139e-02 1.895031e-01 0.004395 0.001132 True md_ensemble 6 301 306 -ND2_GB1_35 CB_GB1_36 1 0.000000e+00 6.605962e-06 ; 3.297284e-01 -6.605962e-06 5.867257e-03 4.929564e-02 0.004395 0.001132 True md_ensemble 7 301 307 -ND2_GB1_35 CG_GB1_36 1 0.000000e+00 2.650509e-06 ; 3.055665e-01 -2.650509e-06 6.220912e-03 2.668294e-02 0.004395 0.011584 True md_ensemble 7 301 308 -ND2_GB1_35 OD1_GB1_36 1 0.000000e+00 6.768766e-07 ; 2.727119e-01 -6.768766e-07 5.386680e-03 1.702406e-02 0.004395 0.011584 True md_ensemble 7 301 309 -ND2_GB1_35 OD2_GB1_36 1 0.000000e+00 6.768766e-07 ; 2.727119e-01 -6.768766e-07 5.386680e-03 1.702406e-02 0.004395 0.011584 True md_ensemble 7 301 310 -ND2_GB1_35 CB_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 316 -ND2_GB1_35 CA_GB1_38 1 0.000000e+00 6.530704e-06 ; 3.294137e-01 -6.530704e-06 6.448737e-03 3.799006e-02 0.004395 0.009458 True md_ensemble 7 301 324 +ND2_GB1_35 C_GB1_35 1 0.000000e+00 2.790897e-06 ; 3.068836e-01 -2.790897e-06 8.532027e-01 9.277221e-01 0.004395 0.001132 True md_ensemble 4 301 302 +ND2_GB1_35 O_GB1_35 1 0.000000e+00 8.746594e-07 ; 2.786003e-01 -8.746594e-07 2.033515e-01 2.615390e-01 0.004395 0.001132 True md_ensemble 5 301 303 +ND2_GB1_35 N_GB1_36 1 0.000000e+00 1.749833e-06 ; 2.951740e-01 -1.749833e-06 9.114686e-02 2.519423e-01 0.004395 0.001132 True md_ensemble 5 301 304 +ND2_GB1_35 CA_GB1_36 1 0.000000e+00 1.443085e-05 ; 3.519135e-01 -1.443085e-05 8.334139e-02 1.895031e-01 0.004395 0.001132 True md_ensemble 6 301 306 +ND2_GB1_35 CB_GB1_36 1 0.000000e+00 6.605925e-06 ; 3.297282e-01 -6.605925e-06 5.867257e-03 4.929564e-02 0.004395 0.001132 True md_ensemble 7 301 307 +ND2_GB1_35 CG_GB1_36 1 0.000000e+00 2.650492e-06 ; 3.055664e-01 -2.650492e-06 6.220912e-03 2.668294e-02 0.004395 0.011584 True md_ensemble 7 301 308 +ND2_GB1_35 OD1_GB1_36 1 0.000000e+00 6.768811e-07 ; 2.727121e-01 -6.768811e-07 5.386680e-03 1.702406e-02 0.004395 0.011584 True md_ensemble 7 301 309 +ND2_GB1_35 OD2_GB1_36 1 0.000000e+00 6.768811e-07 ; 2.727121e-01 -6.768811e-07 5.386680e-03 1.702406e-02 0.004395 0.011584 True md_ensemble 7 301 310 +ND2_GB1_35 CB_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 316 +ND2_GB1_35 CA_GB1_38 1 0.000000e+00 6.530668e-06 ; 3.294136e-01 -6.530668e-06 6.448737e-03 3.799006e-02 0.004395 0.009458 True md_ensemble 7 301 324 ND2_GB1_35 CA_GB1_39 1 4.847801e-03 4.657503e-05 ; 4.610713e-01 1.261468e-01 2.724407e-02 1.770883e-02 0.004395 0.008483 True md_ensemble 7 301 329 -ND2_GB1_35 CB_GB1_39 1 0.000000e+00 1.322391e-05 ; 3.493615e-01 -1.322391e-05 4.607125e-03 1.826046e-02 0.004395 0.001132 True md_ensemble 7 301 330 -ND2_GB1_35 CG1_GB1_39 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 331 -ND2_GB1_35 CG2_GB1_39 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 332 +ND2_GB1_35 CB_GB1_39 1 0.000000e+00 1.322399e-05 ; 3.493616e-01 -1.322399e-05 4.607125e-03 1.826046e-02 0.004395 0.001132 True md_ensemble 7 301 330 +ND2_GB1_35 CG1_GB1_39 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 331 +ND2_GB1_35 CG2_GB1_39 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 332 ND2_GB1_35 C_GB1_39 1 1.602485e-03 3.495605e-06 ; 3.601262e-01 1.836562e-01 3.978527e-02 8.691883e-03 0.004395 0.011584 True md_ensemble 7 301 333 ND2_GB1_35 O_GB1_39 1 2.998728e-04 1.060908e-07 ; 2.659440e-01 2.119026e-01 6.878594e-02 9.028248e-03 0.004395 0.011584 True md_ensemble 7 301 334 ND2_GB1_35 N_GB1_40 1 1.527841e-03 4.047731e-06 ; 3.719823e-01 1.441732e-01 1.850781e-02 4.630543e-03 0.004395 0.011584 True md_ensemble 7 301 335 ND2_GB1_35 CA_GB1_40 1 1.492111e-03 3.219156e-06 ; 3.594652e-01 1.729021e-01 5.871490e-02 1.541989e-02 0.004395 0.008483 True md_ensemble 7 301 337 -ND2_GB1_35 CB_GB1_40 1 0.000000e+00 6.219690e-06 ; 3.280770e-01 -6.219690e-06 3.118725e-02 1.360300e-02 0.004395 0.001132 True md_ensemble 7 301 338 +ND2_GB1_35 CB_GB1_40 1 0.000000e+00 6.219655e-06 ; 3.280768e-01 -6.219655e-06 3.118725e-02 1.360300e-02 0.004395 0.001132 True md_ensemble 7 301 338 ND2_GB1_35 CG_GB1_40 1 7.689929e-04 8.731286e-07 ; 3.229927e-01 1.693193e-01 3.013244e-02 1.113580e-02 0.004395 0.011584 True md_ensemble 7 301 339 ND2_GB1_35 OD1_GB1_40 1 1.831267e-04 5.249424e-08 ; 2.567793e-01 1.597099e-01 2.501168e-02 8.460030e-03 0.004395 0.011584 True md_ensemble 7 301 340 ND2_GB1_35 OD2_GB1_40 1 1.831267e-04 5.249424e-08 ; 2.567793e-01 1.597099e-01 2.501168e-02 8.460030e-03 0.004395 0.011584 True md_ensemble 7 301 341 ND2_GB1_35 C_GB1_40 1 1.781258e-03 8.128906e-06 ; 4.072717e-01 9.758018e-02 7.501295e-03 7.074396e-03 0.004395 0.011584 True md_ensemble 7 301 342 -ND2_GB1_35 CA_GB1_41 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 346 -ND2_GB1_35 CB_GB1_42 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 352 -ND2_GB1_35 CG_GB1_42 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 353 -ND2_GB1_35 CB_GB1_43 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 362 +ND2_GB1_35 CA_GB1_41 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 346 +ND2_GB1_35 CB_GB1_42 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 352 +ND2_GB1_35 CG_GB1_42 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 353 +ND2_GB1_35 CB_GB1_43 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 362 ND2_GB1_35 NE1_GB1_43 1 5.635954e-04 7.945511e-07 ; 3.348568e-01 9.994315e-02 7.852857e-03 6.188602e-03 0.004395 0.011584 True md_ensemble 7 301 366 ND2_GB1_35 CZ2_GB1_43 1 1.434076e-03 4.836821e-06 ; 3.872559e-01 1.062978e-01 8.882202e-03 9.874351e-03 0.004395 0.015244 True md_ensemble 7 301 369 -ND2_GB1_35 CB_GB1_44 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 377 -ND2_GB1_35 CG2_GB1_44 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 379 -ND2_GB1_35 CB_GB1_45 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 385 -ND2_GB1_35 CB_GB1_46 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 398 -ND2_GB1_35 CB_GB1_47 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 407 -ND2_GB1_35 CB_GB1_48 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 416 -ND2_GB1_35 CB_GB1_49 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 422 -ND2_GB1_35 CG2_GB1_49 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 424 -ND2_GB1_35 CB_GB1_50 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 430 -ND2_GB1_35 CG_GB1_50 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 431 -ND2_GB1_35 CD_GB1_50 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 432 -ND2_GB1_35 CE_GB1_50 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 433 -ND2_GB1_35 CB_GB1_51 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 440 -ND2_GB1_35 CG2_GB1_51 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 442 -ND2_GB1_35 CB_GB1_52 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 448 -ND2_GB1_35 CB_GB1_53 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 460 -ND2_GB1_35 CG2_GB1_53 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 462 -ND2_GB1_35 CB_GB1_54 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 468 -ND2_GB1_35 CG1_GB1_54 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 469 -ND2_GB1_35 CG2_GB1_54 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 470 -ND2_GB1_35 CB_GB1_55 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 476 -ND2_GB1_35 CG2_GB1_55 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 478 -ND2_GB1_35 CB_GB1_56 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 484 -ND2_GB1_35 CG_GB1_56 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 485 - C_GB1_35 CB_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 307 - C_GB1_35 CG_GB1_36 1 0.000000e+00 3.019862e-06 ; 3.089067e-01 -3.019862e-06 7.304897e-01 8.926144e-01 0.004395 0.001132 True md_ensemble 4 302 308 - C_GB1_35 OD1_GB1_36 1 0.000000e+00 7.457195e-07 ; 2.749221e-01 -7.457195e-07 1.716210e-01 2.856306e-01 0.004395 0.001132 True md_ensemble 5 302 309 - C_GB1_35 OD2_GB1_36 1 0.000000e+00 7.457195e-07 ; 2.749221e-01 -7.457195e-07 1.716210e-01 2.856306e-01 0.004395 0.001132 True md_ensemble 5 302 310 - C_GB1_35 O_GB1_36 1 0.000000e+00 7.625839e-07 ; 2.754349e-01 -7.625839e-07 9.946867e-01 9.168591e-01 0.004395 0.001132 True md_ensemble 4 302 312 - C_GB1_35 N_GB1_37 1 0.000000e+00 1.468320e-06 ; 2.908908e-01 -1.468320e-06 1.000000e+00 9.735909e-01 0.004395 0.001132 True md_ensemble 4 302 313 - C_GB1_35 CA_GB1_37 1 0.000000e+00 1.107979e-05 ; 3.442490e-01 -1.107979e-05 1.000000e+00 8.489051e-01 0.004395 0.001132 True md_ensemble 5 302 315 - C_GB1_35 CB_GB1_37 1 0.000000e+00 5.556658e-06 ; 3.250096e-01 -5.556658e-06 3.272133e-01 2.044934e-01 0.004395 0.001132 True md_ensemble 6 302 316 +ND2_GB1_35 CB_GB1_44 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 377 +ND2_GB1_35 CG2_GB1_44 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 379 +ND2_GB1_35 CB_GB1_45 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 385 +ND2_GB1_35 CB_GB1_46 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 398 +ND2_GB1_35 CB_GB1_47 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 407 +ND2_GB1_35 CB_GB1_48 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 416 +ND2_GB1_35 CB_GB1_49 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 422 +ND2_GB1_35 CG2_GB1_49 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 424 +ND2_GB1_35 CB_GB1_50 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 430 +ND2_GB1_35 CG_GB1_50 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 431 +ND2_GB1_35 CD_GB1_50 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 432 +ND2_GB1_35 CE_GB1_50 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 433 +ND2_GB1_35 CB_GB1_51 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 440 +ND2_GB1_35 CG2_GB1_51 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 442 +ND2_GB1_35 CB_GB1_52 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 448 +ND2_GB1_35 CB_GB1_53 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 460 +ND2_GB1_35 CG2_GB1_53 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 462 +ND2_GB1_35 CB_GB1_54 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 468 +ND2_GB1_35 CG1_GB1_54 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 469 +ND2_GB1_35 CG2_GB1_54 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 470 +ND2_GB1_35 CB_GB1_55 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 476 +ND2_GB1_35 CG2_GB1_55 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 478 +ND2_GB1_35 CB_GB1_56 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 484 +ND2_GB1_35 CG_GB1_56 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 301 485 + C_GB1_35 CB_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 307 + C_GB1_35 CG_GB1_36 1 0.000000e+00 3.019809e-06 ; 3.089062e-01 -3.019809e-06 7.304897e-01 8.926144e-01 0.004395 0.001132 True md_ensemble 4 302 308 + C_GB1_35 OD1_GB1_36 1 0.000000e+00 7.457163e-07 ; 2.749220e-01 -7.457163e-07 1.716210e-01 2.856306e-01 0.004395 0.001132 True md_ensemble 5 302 309 + C_GB1_35 OD2_GB1_36 1 0.000000e+00 7.457163e-07 ; 2.749220e-01 -7.457163e-07 1.716210e-01 2.856306e-01 0.004395 0.001132 True md_ensemble 5 302 310 + C_GB1_35 O_GB1_36 1 0.000000e+00 7.625804e-07 ; 2.754348e-01 -7.625804e-07 9.946867e-01 9.168591e-01 0.004395 0.001132 True md_ensemble 4 302 312 + C_GB1_35 N_GB1_37 1 0.000000e+00 1.468299e-06 ; 2.908905e-01 -1.468299e-06 1.000000e+00 9.735909e-01 0.004395 0.001132 True md_ensemble 4 302 313 + C_GB1_35 CA_GB1_37 1 0.000000e+00 1.107974e-05 ; 3.442488e-01 -1.107974e-05 1.000000e+00 8.489051e-01 0.004395 0.001132 True md_ensemble 5 302 315 + C_GB1_35 CB_GB1_37 1 0.000000e+00 5.556565e-06 ; 3.250091e-01 -5.556565e-06 3.272133e-01 2.044934e-01 0.004395 0.001132 True md_ensemble 6 302 316 C_GB1_35 C_GB1_37 1 1.642317e-03 7.059187e-06 ; 4.032270e-01 9.552113e-02 9.507191e-01 1.492649e-01 0.004395 0.001132 True md_ensemble 6 302 320 C_GB1_35 N_GB1_38 1 9.175631e-04 9.844715e-07 ; 3.199591e-01 2.138005e-01 9.992080e-01 1.621935e-01 0.004395 0.011584 True md_ensemble 7 302 322 C_GB1_35 CA_GB1_38 1 2.872570e-03 9.679988e-06 ; 3.871988e-01 2.131112e-01 9.940540e-01 1.335176e-01 0.004395 0.009458 True md_ensemble 7 302 324 C_GB1_35 C_GB1_38 1 5.176410e-03 3.271640e-05 ; 4.299878e-01 2.047537e-01 9.637778e-02 1.864259e-02 0.004395 0.011584 True md_ensemble 7 302 325 C_GB1_35 N_GB1_39 1 3.878913e-03 1.751251e-05 ; 4.065429e-01 2.147888e-01 7.988385e-02 1.272088e-02 0.004395 0.011584 True md_ensemble 7 302 327 C_GB1_35 CA_GB1_39 1 7.139827e-03 9.795394e-05 ; 4.892780e-01 1.301049e-01 3.027413e-02 1.822484e-02 0.004395 0.008482 True md_ensemble 7 302 329 - C_GB1_35 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 330 - C_GB1_35 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 331 - C_GB1_35 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 332 - C_GB1_35 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 338 - C_GB1_35 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 346 - C_GB1_35 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 352 - C_GB1_35 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 353 - C_GB1_35 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 362 - C_GB1_35 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 377 - C_GB1_35 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 379 - C_GB1_35 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 385 - C_GB1_35 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 398 - C_GB1_35 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 407 - C_GB1_35 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 416 - C_GB1_35 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 422 - C_GB1_35 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 424 - C_GB1_35 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 430 - C_GB1_35 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 431 - C_GB1_35 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 432 - C_GB1_35 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 433 - C_GB1_35 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 440 - C_GB1_35 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 442 - C_GB1_35 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 448 - C_GB1_35 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 460 - C_GB1_35 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 462 - C_GB1_35 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 468 - C_GB1_35 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 469 - C_GB1_35 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 470 - C_GB1_35 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 476 - C_GB1_35 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 478 - C_GB1_35 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 484 - C_GB1_35 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 485 + C_GB1_35 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 330 + C_GB1_35 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 331 + C_GB1_35 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 332 + C_GB1_35 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 338 + C_GB1_35 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 346 + C_GB1_35 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 352 + C_GB1_35 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 353 + C_GB1_35 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 362 + C_GB1_35 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 377 + C_GB1_35 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 379 + C_GB1_35 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 385 + C_GB1_35 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 398 + C_GB1_35 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 407 + C_GB1_35 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 416 + C_GB1_35 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 422 + C_GB1_35 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 424 + C_GB1_35 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 430 + C_GB1_35 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 431 + C_GB1_35 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 432 + C_GB1_35 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 433 + C_GB1_35 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 440 + C_GB1_35 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 442 + C_GB1_35 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 448 + C_GB1_35 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 460 + C_GB1_35 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 462 + C_GB1_35 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 468 + C_GB1_35 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 469 + C_GB1_35 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 470 + C_GB1_35 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 476 + C_GB1_35 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 478 + C_GB1_35 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 484 + C_GB1_35 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 302 485 O_GB1_35 O_GB1_35 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 303 303 O_GB1_35 H_GB1_36 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 303 305 - O_GB1_35 CB_GB1_36 1 0.000000e+00 2.015600e-06 ; 2.986726e-01 -2.015600e-06 9.999992e-01 9.999711e-01 0.004395 0.001132 True md_ensemble 4 303 307 - O_GB1_35 CG_GB1_36 1 0.000000e+00 1.062534e-06 ; 2.831546e-01 -1.062534e-06 2.604901e-02 3.109427e-01 0.004395 0.001132 True md_ensemble 5 303 308 + O_GB1_35 CB_GB1_36 1 0.000000e+00 2.015592e-06 ; 2.986725e-01 -2.015592e-06 9.999992e-01 9.999711e-01 0.004395 0.001132 True md_ensemble 4 303 307 + O_GB1_35 CG_GB1_36 1 0.000000e+00 1.062529e-06 ; 2.831545e-01 -1.062529e-06 2.604901e-02 3.109427e-01 0.004395 0.001132 True md_ensemble 5 303 308 O_GB1_35 OD1_GB1_36 1 0.000000e+00 1.667910e-06 ; 2.939969e-01 -1.667910e-06 1.641788e-01 2.761185e-01 0.004395 0.001132 True md_ensemble 6 303 309 O_GB1_35 OD2_GB1_36 1 0.000000e+00 1.667910e-06 ; 2.939969e-01 -1.667910e-06 1.641788e-01 2.761185e-01 0.004395 0.001132 True md_ensemble 6 303 310 - O_GB1_35 C_GB1_36 1 0.000000e+00 8.236253e-07 ; 2.772080e-01 -8.236253e-07 1.000000e+00 9.959882e-01 0.004395 0.001132 True md_ensemble 4 303 311 + O_GB1_35 C_GB1_36 1 0.000000e+00 8.236215e-07 ; 2.772079e-01 -8.236215e-07 1.000000e+00 9.959882e-01 0.004395 0.001132 True md_ensemble 4 303 311 O_GB1_35 O_GB1_36 1 0.000000e+00 1.286102e-06 ; 2.876965e-01 -1.286102e-06 9.996197e-01 8.570212e-01 0.004395 0.001132 True md_ensemble 5 303 312 O_GB1_35 N_GB1_37 1 0.000000e+00 1.343538e-06 ; 2.887459e-01 -1.343538e-06 9.999052e-01 8.955973e-01 0.004395 0.001132 True md_ensemble 5 303 313 - O_GB1_35 H_GB1_37 1 0.000000e+00 1.466193e-08 ; 1.981577e-01 -1.466193e-08 1.974779e-01 1.424210e-01 0.004395 0.001132 True md_ensemble 6 303 314 - O_GB1_35 CA_GB1_37 1 0.000000e+00 2.427142e-06 ; 3.033330e-01 -2.427142e-06 9.806482e-01 5.650097e-01 0.004395 0.001132 True md_ensemble 6 303 315 + O_GB1_35 H_GB1_37 1 0.000000e+00 1.466216e-08 ; 1.981579e-01 -1.466216e-08 1.974779e-01 1.424210e-01 0.004395 0.001132 True md_ensemble 6 303 314 + O_GB1_35 CA_GB1_37 1 0.000000e+00 2.427162e-06 ; 3.033332e-01 -2.427162e-06 9.806482e-01 5.650097e-01 0.004395 0.001132 True md_ensemble 6 303 315 O_GB1_35 CB_GB1_37 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 7.166000e-05 1.272995e-01 0.004395 0.007862 True md_ensemble 7 303 316 O_GB1_35 OD1_GB1_37 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 303 318 O_GB1_35 C_GB1_37 1 2.120775e-03 4.951977e-06 ; 3.642341e-01 2.270653e-01 7.341582e-01 9.215268e-02 0.004395 0.011584 True md_ensemble 7 303 320 @@ -37740,11 +37740,11 @@ ND2_GB1_35 CG_GB1_56 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e- O_GB1_35 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 303 488 O_GB1_35 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 303 490 O_GB1_35 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 303 491 - N_GB1_36 CB_GB1_36 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 307 + N_GB1_36 CB_GB1_36 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 307 N_GB1_36 OD1_GB1_36 1 0.000000e+00 1.599312e-06 ; 2.929697e-01 -1.599312e-06 8.615869e-01 9.277946e-01 0.004395 0.001132 True md_ensemble 4 304 309 N_GB1_36 OD2_GB1_36 1 0.000000e+00 1.599312e-06 ; 2.929697e-01 -1.599312e-06 8.615869e-01 9.277946e-01 0.004395 0.001132 True md_ensemble 4 304 310 - N_GB1_36 CA_GB1_37 1 0.000000e+00 7.574636e-06 ; 3.335097e-01 -7.574636e-06 1.000000e+00 9.999527e-01 0.004395 0.001132 True md_ensemble 4 304 315 - N_GB1_36 CB_GB1_37 1 0.000000e+00 2.066360e-06 ; 2.992923e-01 -2.066360e-06 7.159492e-01 2.780586e-01 0.004395 0.001132 True md_ensemble 5 304 316 + N_GB1_36 CA_GB1_37 1 0.000000e+00 7.574625e-06 ; 3.335097e-01 -7.574625e-06 1.000000e+00 9.999527e-01 0.004395 0.001132 True md_ensemble 4 304 315 + N_GB1_36 CB_GB1_37 1 0.000000e+00 2.066333e-06 ; 2.992919e-01 -2.066333e-06 7.159492e-01 2.780586e-01 0.004395 0.001132 True md_ensemble 5 304 316 N_GB1_36 CG_GB1_37 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 3.101475e-04 3.197961e-02 0.004395 0.001132 True md_ensemble 6 304 317 N_GB1_36 ND2_GB1_37 1 2.046587e-03 9.943687e-06 ; 4.115471e-01 1.053060e-01 4.685640e-02 6.229592e-02 0.004395 0.011584 True md_ensemble 7 304 319 N_GB1_36 C_GB1_37 1 1.824052e-03 8.609071e-06 ; 4.095622e-01 9.661803e-02 5.540191e-01 8.515234e-02 0.004395 0.001132 True md_ensemble 5 304 320 @@ -37752,59 +37752,59 @@ ND2_GB1_35 CG_GB1_56 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e- N_GB1_36 N_GB1_38 1 1.061581e-03 2.458725e-06 ; 3.637415e-01 1.145872e-01 9.525470e-01 1.033461e-01 0.004395 0.001132 True md_ensemble 6 304 322 N_GB1_36 CA_GB1_38 1 6.820935e-03 4.962348e-05 ; 4.401904e-01 2.343908e-01 2.454043e-01 2.182143e-02 0.004395 0.009458 True md_ensemble 7 304 324 N_GB1_36 N_GB1_39 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 8.684675e-05 0.004395 0.001132 True md_ensemble 7 304 327 - N_GB1_36 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 330 - N_GB1_36 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 331 - N_GB1_36 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 332 + N_GB1_36 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 330 + N_GB1_36 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 331 + N_GB1_36 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 332 N_GB1_36 N_GB1_40 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 304 335 - N_GB1_36 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 338 + N_GB1_36 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 338 N_GB1_36 N_GB1_41 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 304 344 - N_GB1_36 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 346 + N_GB1_36 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 346 N_GB1_36 N_GB1_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 304 349 - N_GB1_36 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 352 - N_GB1_36 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 353 + N_GB1_36 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 352 + N_GB1_36 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 353 N_GB1_36 N_GB1_43 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 304 359 - N_GB1_36 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 362 + N_GB1_36 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 362 N_GB1_36 N_GB1_44 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 304 374 - N_GB1_36 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 377 - N_GB1_36 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 379 + N_GB1_36 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 377 + N_GB1_36 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 379 N_GB1_36 N_GB1_45 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 304 382 - N_GB1_36 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 385 + N_GB1_36 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 385 N_GB1_36 N_GB1_46 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 304 395 - N_GB1_36 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 398 + N_GB1_36 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 398 N_GB1_36 N_GB1_47 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 304 404 - N_GB1_36 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 407 + N_GB1_36 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 407 N_GB1_36 N_GB1_48 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 304 413 - N_GB1_36 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 416 + N_GB1_36 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 416 N_GB1_36 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 304 419 - N_GB1_36 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 422 - N_GB1_36 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 424 + N_GB1_36 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 422 + N_GB1_36 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 424 N_GB1_36 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 304 427 - N_GB1_36 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 430 - N_GB1_36 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 431 - N_GB1_36 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 432 - N_GB1_36 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 433 + N_GB1_36 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 430 + N_GB1_36 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 431 + N_GB1_36 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 432 + N_GB1_36 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 433 N_GB1_36 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 6.194321e-06 0.004395 0.001132 True md_ensemble 7 304 434 N_GB1_36 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 304 437 - N_GB1_36 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 440 - N_GB1_36 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 442 + N_GB1_36 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 440 + N_GB1_36 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 442 N_GB1_36 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 304 445 - N_GB1_36 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 448 + N_GB1_36 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 448 N_GB1_36 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 304 457 - N_GB1_36 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 460 - N_GB1_36 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 462 + N_GB1_36 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 460 + N_GB1_36 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 462 N_GB1_36 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 304 465 - N_GB1_36 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 468 - N_GB1_36 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 469 - N_GB1_36 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 470 + N_GB1_36 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 468 + N_GB1_36 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 469 + N_GB1_36 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 470 N_GB1_36 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 304 473 - N_GB1_36 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 476 - N_GB1_36 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 478 + N_GB1_36 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 476 + N_GB1_36 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 478 N_GB1_36 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 304 481 - N_GB1_36 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 484 - N_GB1_36 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 485 + N_GB1_36 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 484 + N_GB1_36 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 304 485 H_GB1_36 H_GB1_36 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 305 305 - H_GB1_36 OD1_GB1_36 1 0.000000e+00 1.378379e-08 ; 1.971404e-01 -1.378379e-08 6.174383e-02 1.591617e-01 0.004395 0.001132 True md_ensemble 5 305 309 - H_GB1_36 OD2_GB1_36 1 0.000000e+00 1.378379e-08 ; 1.971404e-01 -1.378379e-08 6.174383e-02 1.591617e-01 0.004395 0.001132 True md_ensemble 5 305 310 + H_GB1_36 OD1_GB1_36 1 0.000000e+00 1.378401e-08 ; 1.971407e-01 -1.378401e-08 6.174383e-02 1.591617e-01 0.004395 0.001132 True md_ensemble 5 305 309 + H_GB1_36 OD2_GB1_36 1 0.000000e+00 1.378401e-08 ; 1.971407e-01 -1.378401e-08 6.174383e-02 1.591617e-01 0.004395 0.001132 True md_ensemble 5 305 310 H_GB1_36 O_GB1_36 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 305 312 H_GB1_36 H_GB1_37 1 0.000000e+00 4.853501e-09 ; 1.807172e-01 -4.853501e-09 9.910244e-01 3.954828e-01 0.004395 0.001132 True md_ensemble 5 305 314 H_GB1_36 OD1_GB1_37 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 305 318 @@ -37864,200 +37864,200 @@ ND2_GB1_35 CG_GB1_56 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e- H_GB1_36 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 305 488 H_GB1_36 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 305 490 H_GB1_36 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 305 491 - CA_GB1_36 CB_GB1_37 1 0.000000e+00 3.181365e-05 ; 3.758773e-01 -3.181365e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 306 316 - CA_GB1_36 CG_GB1_37 1 0.000000e+00 9.539959e-06 ; 3.399830e-01 -9.539959e-06 9.951811e-01 7.261080e-01 0.004395 0.001132 True md_ensemble 5 306 317 - CA_GB1_36 OD1_GB1_37 1 0.000000e+00 5.213947e-06 ; 3.232900e-01 -5.213947e-06 5.523761e-02 3.105533e-01 0.004395 0.001132 True md_ensemble 6 306 318 - CA_GB1_36 ND2_GB1_37 1 0.000000e+00 6.225890e-06 ; 3.281042e-01 -6.225890e-06 9.755604e-01 4.527938e-01 0.004395 0.001132 True md_ensemble 6 306 319 - CA_GB1_36 C_GB1_37 1 0.000000e+00 1.305178e-05 ; 3.489802e-01 -1.305178e-05 1.000000e+00 9.999932e-01 0.004395 0.001132 True md_ensemble 4 306 320 + CA_GB1_36 CB_GB1_37 1 0.000000e+00 3.181352e-05 ; 3.758772e-01 -3.181352e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 306 316 + CA_GB1_36 CG_GB1_37 1 0.000000e+00 9.539910e-06 ; 3.399829e-01 -9.539910e-06 9.951811e-01 7.261080e-01 0.004395 0.001132 True md_ensemble 5 306 317 + CA_GB1_36 OD1_GB1_37 1 0.000000e+00 5.213988e-06 ; 3.232902e-01 -5.213988e-06 5.523761e-02 3.105533e-01 0.004395 0.001132 True md_ensemble 6 306 318 + CA_GB1_36 ND2_GB1_37 1 0.000000e+00 6.225927e-06 ; 3.281044e-01 -6.225927e-06 9.755604e-01 4.527938e-01 0.004395 0.001132 True md_ensemble 6 306 319 + CA_GB1_36 C_GB1_37 1 0.000000e+00 1.305171e-05 ; 3.489801e-01 -1.305171e-05 1.000000e+00 9.999932e-01 0.004395 0.001132 True md_ensemble 4 306 320 CA_GB1_36 O_GB1_37 1 0.000000e+00 4.153495e-06 ; 3.172216e-01 -4.153495e-06 9.197050e-04 3.649704e-01 0.004395 0.001132 True md_ensemble 5 306 321 - CA_GB1_36 N_GB1_38 1 0.000000e+00 5.239802e-06 ; 3.234233e-01 -5.239802e-06 1.000000e+00 6.917235e-01 0.004395 0.001132 True md_ensemble 5 306 322 - CA_GB1_36 CA_GB1_38 1 0.000000e+00 1.754959e-05 ; 3.576986e-01 -1.754959e-05 9.952600e-01 5.468972e-01 0.004395 0.001132 True md_ensemble 6 306 324 - CB_GB1_36 CG_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 308 - CB_GB1_36 OD1_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 309 - CB_GB1_36 OD2_GB1_36 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 310 - CB_GB1_36 C_GB1_36 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 311 + CA_GB1_36 N_GB1_38 1 0.000000e+00 5.239794e-06 ; 3.234232e-01 -5.239794e-06 1.000000e+00 6.917235e-01 0.004395 0.001132 True md_ensemble 5 306 322 + CA_GB1_36 CA_GB1_38 1 0.000000e+00 1.754952e-05 ; 3.576985e-01 -1.754952e-05 9.952600e-01 5.468972e-01 0.004395 0.001132 True md_ensemble 6 306 324 + CB_GB1_36 CG_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 308 + CB_GB1_36 OD1_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 309 + CB_GB1_36 OD2_GB1_36 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 310 + CB_GB1_36 C_GB1_36 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 311 CB_GB1_36 O_GB1_36 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 312 - CB_GB1_36 N_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 313 - CB_GB1_36 CA_GB1_37 1 0.000000e+00 3.181369e-05 ; 3.758774e-01 -3.181369e-05 9.999987e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 307 315 - CB_GB1_36 CB_GB1_37 1 0.000000e+00 1.028700e-05 ; 3.421257e-01 -1.028700e-05 9.799389e-01 6.462431e-01 0.004395 0.001132 True md_ensemble 5 307 316 + CB_GB1_36 N_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 313 + CB_GB1_36 CA_GB1_37 1 0.000000e+00 3.181356e-05 ; 3.758772e-01 -3.181356e-05 9.999987e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 307 315 + CB_GB1_36 CB_GB1_37 1 0.000000e+00 1.028684e-05 ; 3.421253e-01 -1.028684e-05 9.799389e-01 6.462431e-01 0.004395 0.001132 True md_ensemble 5 307 316 CB_GB1_36 CG_GB1_37 1 1.846258e-03 1.175751e-05 ; 4.305304e-01 7.247859e-02 7.604525e-01 1.866161e-01 0.004395 0.001132 True md_ensemble 6 307 317 - CB_GB1_36 OD1_GB1_37 1 0.000000e+00 2.133676e-06 ; 3.000929e-01 -2.133676e-06 2.818368e-02 8.673535e-02 0.004395 0.007862 True md_ensemble 7 307 318 + CB_GB1_36 OD1_GB1_37 1 0.000000e+00 2.133668e-06 ; 3.000928e-01 -2.133668e-06 2.818368e-02 8.673535e-02 0.004395 0.007862 True md_ensemble 7 307 318 CB_GB1_36 ND2_GB1_37 1 1.051808e-03 2.808386e-06 ; 3.724660e-01 9.848192e-02 9.477378e-01 1.404979e-01 0.004395 0.001132 True md_ensemble 7 307 319 - CB_GB1_36 C_GB1_37 1 0.000000e+00 9.137146e-06 ; 3.387629e-01 -9.137146e-06 9.498470e-03 4.520627e-01 0.004395 0.001132 True md_ensemble 5 307 320 + CB_GB1_36 C_GB1_37 1 0.000000e+00 9.136992e-06 ; 3.387625e-01 -9.136992e-06 9.498470e-03 4.520627e-01 0.004395 0.001132 True md_ensemble 5 307 320 CB_GB1_36 O_GB1_37 1 0.000000e+00 2.015656e-06 ; 2.986733e-01 -2.015656e-06 0.000000e+00 1.001290e-01 0.004395 0.001132 True md_ensemble 6 307 321 - CB_GB1_36 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 322 - CB_GB1_36 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 325 + CB_GB1_36 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 322 + CB_GB1_36 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 325 CB_GB1_36 O_GB1_38 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.892645e-02 0.004395 0.007862 True md_ensemble 7 307 326 - CB_GB1_36 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 327 - CB_GB1_36 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 333 + CB_GB1_36 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 327 + CB_GB1_36 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 333 CB_GB1_36 O_GB1_39 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.611829e-02 0.004395 0.007862 True md_ensemble 7 307 334 - CB_GB1_36 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 335 - CB_GB1_36 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 339 - CB_GB1_36 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 340 - CB_GB1_36 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 341 - CB_GB1_36 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 342 + CB_GB1_36 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 335 + CB_GB1_36 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 339 + CB_GB1_36 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 340 + CB_GB1_36 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 341 + CB_GB1_36 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 342 CB_GB1_36 O_GB1_40 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.264307e-03 0.004395 0.007862 True md_ensemble 7 307 343 - CB_GB1_36 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 344 - CB_GB1_36 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 347 + CB_GB1_36 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 344 + CB_GB1_36 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 347 CB_GB1_36 O_GB1_41 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.132461e-03 0.004395 0.007862 True md_ensemble 7 307 348 - CB_GB1_36 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 349 - CB_GB1_36 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 354 - CB_GB1_36 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 355 - CB_GB1_36 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 356 - CB_GB1_36 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 357 + CB_GB1_36 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 349 + CB_GB1_36 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 354 + CB_GB1_36 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 355 + CB_GB1_36 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 356 + CB_GB1_36 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 357 CB_GB1_36 O_GB1_42 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.636485e-04 0.004395 0.007862 True md_ensemble 7 307 358 - CB_GB1_36 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 359 - CB_GB1_36 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 366 - CB_GB1_36 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 372 + CB_GB1_36 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 359 + CB_GB1_36 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 366 + CB_GB1_36 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 372 CB_GB1_36 O_GB1_43 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 8.428611e-04 0.004395 0.007862 True md_ensemble 7 307 373 - CB_GB1_36 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 374 - CB_GB1_36 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 378 - CB_GB1_36 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 380 + CB_GB1_36 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 374 + CB_GB1_36 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 378 + CB_GB1_36 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 380 CB_GB1_36 O_GB1_44 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.301439e-04 0.004395 0.007862 True md_ensemble 7 307 381 - CB_GB1_36 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 382 - CB_GB1_36 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 392 - CB_GB1_36 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 393 + CB_GB1_36 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 382 + CB_GB1_36 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 392 + CB_GB1_36 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 393 CB_GB1_36 O_GB1_45 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.744471e-04 0.004395 0.007862 True md_ensemble 7 307 394 - CB_GB1_36 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 395 - CB_GB1_36 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 399 - CB_GB1_36 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 400 - CB_GB1_36 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 401 - CB_GB1_36 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 402 + CB_GB1_36 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 395 + CB_GB1_36 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 399 + CB_GB1_36 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 400 + CB_GB1_36 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 401 + CB_GB1_36 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 402 CB_GB1_36 O_GB1_46 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.999321e-04 0.004395 0.007862 True md_ensemble 7 307 403 - CB_GB1_36 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 404 - CB_GB1_36 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 408 - CB_GB1_36 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 409 - CB_GB1_36 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 410 - CB_GB1_36 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 411 + CB_GB1_36 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 404 + CB_GB1_36 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 408 + CB_GB1_36 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 409 + CB_GB1_36 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 410 + CB_GB1_36 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 411 CB_GB1_36 O_GB1_47 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.990963e-05 0.004395 0.007862 True md_ensemble 7 307 412 - CB_GB1_36 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 413 - CB_GB1_36 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 417 + CB_GB1_36 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 413 + CB_GB1_36 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 417 CB_GB1_36 O_GB1_48 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.887216e-05 0.004395 0.007862 True md_ensemble 7 307 418 - CB_GB1_36 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 419 - CB_GB1_36 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 423 - CB_GB1_36 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 425 + CB_GB1_36 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 419 + CB_GB1_36 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 423 + CB_GB1_36 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 425 CB_GB1_36 O_GB1_49 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.177300e-04 0.004395 0.007862 True md_ensemble 7 307 426 - CB_GB1_36 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 427 - CB_GB1_36 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 434 - CB_GB1_36 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 435 + CB_GB1_36 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 427 + CB_GB1_36 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 434 + CB_GB1_36 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 435 CB_GB1_36 O_GB1_50 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 307 436 - CB_GB1_36 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 437 - CB_GB1_36 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 441 - CB_GB1_36 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 443 + CB_GB1_36 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 437 + CB_GB1_36 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 441 + CB_GB1_36 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 443 CB_GB1_36 O_GB1_51 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.999994e-05 0.004395 0.007862 True md_ensemble 7 307 444 - CB_GB1_36 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 445 - CB_GB1_36 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 455 + CB_GB1_36 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 445 + CB_GB1_36 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 455 CB_GB1_36 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.130581e-04 0.004395 0.007862 True md_ensemble 7 307 456 - CB_GB1_36 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 457 - CB_GB1_36 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 461 - CB_GB1_36 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 463 + CB_GB1_36 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 457 + CB_GB1_36 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 461 + CB_GB1_36 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 463 CB_GB1_36 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 0.000000e+00 0.004395 0.007862 True md_ensemble 7 307 464 - CB_GB1_36 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 465 - CB_GB1_36 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 471 + CB_GB1_36 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 465 + CB_GB1_36 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 471 CB_GB1_36 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.000602e-04 0.004395 0.007862 True md_ensemble 7 307 472 - CB_GB1_36 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 473 - CB_GB1_36 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 477 - CB_GB1_36 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 479 + CB_GB1_36 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 473 + CB_GB1_36 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 477 + CB_GB1_36 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 479 CB_GB1_36 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.827733e-04 0.004395 0.007862 True md_ensemble 7 307 480 - CB_GB1_36 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 481 - CB_GB1_36 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 486 - CB_GB1_36 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 487 - CB_GB1_36 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 488 - CB_GB1_36 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 489 - CB_GB1_36 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 490 - CB_GB1_36 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 491 - CG_GB1_36 O_GB1_36 1 0.000000e+00 5.871757e-07 ; 2.695001e-01 -5.871757e-07 9.197904e-01 6.298464e-01 0.004395 0.001132 True md_ensemble 4 308 312 - CG_GB1_36 N_GB1_37 1 0.000000e+00 1.437005e-06 ; 2.903687e-01 -1.437005e-06 8.203403e-01 7.731675e-01 0.004395 0.001132 True md_ensemble 4 308 313 - CG_GB1_36 CA_GB1_37 1 0.000000e+00 1.060721e-05 ; 3.430008e-01 -1.060721e-05 6.028543e-01 4.155514e-01 0.004395 0.001132 True md_ensemble 5 308 315 - CG_GB1_36 CB_GB1_37 1 0.000000e+00 6.731160e-06 ; 3.302447e-01 -6.731160e-06 1.072727e-02 7.343672e-02 0.004395 0.001132 True md_ensemble 6 308 316 + CB_GB1_36 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 481 + CB_GB1_36 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 486 + CB_GB1_36 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 487 + CB_GB1_36 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 488 + CB_GB1_36 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 489 + CB_GB1_36 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 490 + CB_GB1_36 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 307 491 + CG_GB1_36 O_GB1_36 1 0.000000e+00 5.871730e-07 ; 2.695000e-01 -5.871730e-07 9.197904e-01 6.298464e-01 0.004395 0.001132 True md_ensemble 4 308 312 + CG_GB1_36 N_GB1_37 1 0.000000e+00 1.436985e-06 ; 2.903684e-01 -1.436985e-06 8.203403e-01 7.731675e-01 0.004395 0.001132 True md_ensemble 4 308 313 + CG_GB1_36 CA_GB1_37 1 0.000000e+00 1.060716e-05 ; 3.430006e-01 -1.060716e-05 6.028543e-01 4.155514e-01 0.004395 0.001132 True md_ensemble 5 308 315 + CG_GB1_36 CB_GB1_37 1 0.000000e+00 6.731047e-06 ; 3.302442e-01 -6.731047e-06 1.072727e-02 7.343672e-02 0.004395 0.001132 True md_ensemble 6 308 316 CG_GB1_36 CG_GB1_37 1 3.085672e-03 1.663757e-05 ; 4.187518e-01 1.430704e-01 5.719959e-02 3.657388e-02 0.004395 0.011584 True md_ensemble 7 308 317 - CG_GB1_36 OD1_GB1_37 1 0.000000e+00 8.403985e-07 ; 2.776741e-01 -8.403985e-07 4.868235e-03 2.113975e-02 0.004395 0.011584 True md_ensemble 7 308 318 + CG_GB1_36 OD1_GB1_37 1 0.000000e+00 8.403946e-07 ; 2.776740e-01 -8.403946e-07 4.868235e-03 2.113975e-02 0.004395 0.011584 True md_ensemble 7 308 318 CG_GB1_36 ND2_GB1_37 1 2.994192e-03 1.029605e-05 ; 3.885067e-01 2.176851e-01 2.671014e-01 4.021219e-02 0.004395 0.011584 True md_ensemble 7 308 319 CG_GB1_36 C_GB1_37 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 0.000000e+00 1.106584e-01 0.004395 0.001132 True md_ensemble 6 308 320 - CG_GB1_36 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 324 - CG_GB1_36 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 330 - CG_GB1_36 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 331 - CG_GB1_36 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 332 - CG_GB1_36 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 338 - CG_GB1_36 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 346 - CG_GB1_36 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 352 - CG_GB1_36 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 353 - CG_GB1_36 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 362 - CG_GB1_36 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 377 - CG_GB1_36 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 379 - CG_GB1_36 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 385 - CG_GB1_36 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 398 - CG_GB1_36 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 407 - CG_GB1_36 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 416 - CG_GB1_36 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 422 - CG_GB1_36 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 424 - CG_GB1_36 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 430 - CG_GB1_36 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 431 - CG_GB1_36 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 432 - CG_GB1_36 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 433 - CG_GB1_36 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 440 - CG_GB1_36 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 442 - CG_GB1_36 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 448 - CG_GB1_36 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 460 - CG_GB1_36 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 462 - CG_GB1_36 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 468 - CG_GB1_36 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 469 - CG_GB1_36 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 470 - CG_GB1_36 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 476 - CG_GB1_36 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 478 - CG_GB1_36 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 484 - CG_GB1_36 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 485 + CG_GB1_36 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 324 + CG_GB1_36 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 330 + CG_GB1_36 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 331 + CG_GB1_36 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 332 + CG_GB1_36 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 338 + CG_GB1_36 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 346 + CG_GB1_36 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 352 + CG_GB1_36 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 353 + CG_GB1_36 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 362 + CG_GB1_36 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 377 + CG_GB1_36 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 379 + CG_GB1_36 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 385 + CG_GB1_36 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 398 + CG_GB1_36 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 407 + CG_GB1_36 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 416 + CG_GB1_36 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 422 + CG_GB1_36 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 424 + CG_GB1_36 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 430 + CG_GB1_36 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 431 + CG_GB1_36 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 432 + CG_GB1_36 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 433 + CG_GB1_36 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 440 + CG_GB1_36 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 442 + CG_GB1_36 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 448 + CG_GB1_36 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 460 + CG_GB1_36 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 462 + CG_GB1_36 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 468 + CG_GB1_36 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 469 + CG_GB1_36 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 470 + CG_GB1_36 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 476 + CG_GB1_36 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 478 + CG_GB1_36 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 484 + CG_GB1_36 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 308 485 OD1_GB1_36 OD1_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 309 OD1_GB1_36 OD2_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 310 -OD1_GB1_36 C_GB1_36 1 0.000000e+00 5.027380e-07 ; 2.660358e-01 -5.027380e-07 7.946675e-01 5.456937e-01 0.004395 0.001132 True md_ensemble 4 309 311 +OD1_GB1_36 C_GB1_36 1 0.000000e+00 5.027358e-07 ; 2.660357e-01 -5.027358e-07 7.946675e-01 5.456937e-01 0.004395 0.001132 True md_ensemble 4 309 311 OD1_GB1_36 O_GB1_36 1 0.000000e+00 9.705552e-07 ; 2.810261e-01 -9.705552e-07 7.289710e-01 3.760078e-01 0.004395 0.001132 True md_ensemble 5 309 312 OD1_GB1_36 N_GB1_37 1 0.000000e+00 1.499911e-06 ; 2.914073e-01 -1.499911e-06 3.585800e-01 3.585205e-01 0.004395 0.001132 True md_ensemble 5 309 313 OD1_GB1_36 H_GB1_37 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 314 -OD1_GB1_36 CA_GB1_37 1 0.000000e+00 3.690450e-06 ; 3.141123e-01 -3.690450e-06 5.656061e-02 1.541870e-01 0.004395 0.001132 True md_ensemble 6 309 315 -OD1_GB1_36 CB_GB1_37 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 316 +OD1_GB1_36 CA_GB1_37 1 0.000000e+00 3.690480e-06 ; 3.141125e-01 -3.690480e-06 5.656061e-02 1.541870e-01 0.004395 0.001132 True md_ensemble 6 309 315 +OD1_GB1_36 CB_GB1_37 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 316 OD1_GB1_36 CG_GB1_37 1 9.722972e-04 2.050652e-06 ; 3.581092e-01 1.152514e-01 1.748726e-02 1.917293e-02 0.004395 0.011584 True md_ensemble 7 309 317 OD1_GB1_36 OD1_GB1_37 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 318 OD1_GB1_36 ND2_GB1_37 1 7.037856e-04 6.570294e-07 ; 3.126253e-01 1.884673e-01 8.641642e-02 2.292145e-02 0.004395 0.011584 True md_ensemble 7 309 319 OD1_GB1_36 O_GB1_37 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 321 OD1_GB1_36 H_GB1_38 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 323 -OD1_GB1_36 CA_GB1_38 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 324 +OD1_GB1_36 CA_GB1_38 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 324 OD1_GB1_36 O_GB1_38 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 326 OD1_GB1_36 H_GB1_39 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 328 -OD1_GB1_36 CB_GB1_39 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 330 +OD1_GB1_36 CB_GB1_39 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 330 OD1_GB1_36 CG1_GB1_39 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 331 OD1_GB1_36 CG2_GB1_39 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 332 OD1_GB1_36 O_GB1_39 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 334 OD1_GB1_36 H_GB1_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 336 -OD1_GB1_36 CB_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 338 +OD1_GB1_36 CB_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 338 OD1_GB1_36 OD1_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 340 OD1_GB1_36 OD2_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 341 OD1_GB1_36 O_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 343 OD1_GB1_36 H_GB1_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 345 -OD1_GB1_36 CA_GB1_41 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 346 +OD1_GB1_36 CA_GB1_41 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 346 OD1_GB1_36 O_GB1_41 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 348 OD1_GB1_36 H_GB1_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 350 -OD1_GB1_36 CB_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 352 -OD1_GB1_36 CG_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 353 +OD1_GB1_36 CB_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 352 +OD1_GB1_36 CG_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 353 OD1_GB1_36 OE1_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 355 OD1_GB1_36 OE2_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 356 OD1_GB1_36 O_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 358 OD1_GB1_36 H_GB1_43 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 360 -OD1_GB1_36 CB_GB1_43 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 362 +OD1_GB1_36 CB_GB1_43 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 362 OD1_GB1_36 O_GB1_43 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 373 OD1_GB1_36 H_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 375 -OD1_GB1_36 CB_GB1_44 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 377 +OD1_GB1_36 CB_GB1_44 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 377 OD1_GB1_36 CG2_GB1_44 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 379 OD1_GB1_36 O_GB1_44 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 381 OD1_GB1_36 H_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 383 -OD1_GB1_36 CB_GB1_45 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 385 +OD1_GB1_36 CB_GB1_45 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 385 OD1_GB1_36 O_GB1_45 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 394 OD1_GB1_36 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 396 -OD1_GB1_36 CB_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 398 +OD1_GB1_36 CB_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 398 OD1_GB1_36 OD1_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 400 OD1_GB1_36 OD2_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 401 OD1_GB1_36 O_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 403 OD1_GB1_36 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 405 -OD1_GB1_36 CB_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 407 +OD1_GB1_36 CB_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 407 OD1_GB1_36 OD1_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 409 OD1_GB1_36 OD2_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 410 OD1_GB1_36 O_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 412 @@ -38065,92 +38065,92 @@ OD1_GB1_36 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e- OD1_GB1_36 CB_GB1_48 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 416 OD1_GB1_36 O_GB1_48 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 418 OD1_GB1_36 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 420 -OD1_GB1_36 CB_GB1_49 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 422 +OD1_GB1_36 CB_GB1_49 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 422 OD1_GB1_36 CG2_GB1_49 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 424 OD1_GB1_36 O_GB1_49 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 426 OD1_GB1_36 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 428 -OD1_GB1_36 CB_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 430 -OD1_GB1_36 CG_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 431 -OD1_GB1_36 CD_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 432 -OD1_GB1_36 CE_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 433 +OD1_GB1_36 CB_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 430 +OD1_GB1_36 CG_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 431 +OD1_GB1_36 CD_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 432 +OD1_GB1_36 CE_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 433 OD1_GB1_36 O_GB1_50 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 436 OD1_GB1_36 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 438 -OD1_GB1_36 CB_GB1_51 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 440 +OD1_GB1_36 CB_GB1_51 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 440 OD1_GB1_36 CG2_GB1_51 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 442 OD1_GB1_36 O_GB1_51 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 444 OD1_GB1_36 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 446 -OD1_GB1_36 CB_GB1_52 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 448 +OD1_GB1_36 CB_GB1_52 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 448 OD1_GB1_36 O_GB1_52 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 456 OD1_GB1_36 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 458 -OD1_GB1_36 CB_GB1_53 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 460 +OD1_GB1_36 CB_GB1_53 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 460 OD1_GB1_36 CG2_GB1_53 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 462 OD1_GB1_36 O_GB1_53 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 464 OD1_GB1_36 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 466 -OD1_GB1_36 CB_GB1_54 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 468 +OD1_GB1_36 CB_GB1_54 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 468 OD1_GB1_36 CG1_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 469 OD1_GB1_36 CG2_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 470 OD1_GB1_36 O_GB1_54 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 472 OD1_GB1_36 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 474 -OD1_GB1_36 CB_GB1_55 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 476 +OD1_GB1_36 CB_GB1_55 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 476 OD1_GB1_36 CG2_GB1_55 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 478 OD1_GB1_36 O_GB1_55 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 480 OD1_GB1_36 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 482 -OD1_GB1_36 CB_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 484 -OD1_GB1_36 CG_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 485 +OD1_GB1_36 CB_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 484 +OD1_GB1_36 CG_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 485 OD1_GB1_36 OE1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 487 OD1_GB1_36 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 488 OD1_GB1_36 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 490 OD1_GB1_36 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 309 491 OD2_GB1_36 OD2_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 310 -OD2_GB1_36 C_GB1_36 1 0.000000e+00 5.027380e-07 ; 2.660358e-01 -5.027380e-07 7.946675e-01 5.456937e-01 0.004395 0.001132 True md_ensemble 4 310 311 +OD2_GB1_36 C_GB1_36 1 0.000000e+00 5.027358e-07 ; 2.660357e-01 -5.027358e-07 7.946675e-01 5.456937e-01 0.004395 0.001132 True md_ensemble 4 310 311 OD2_GB1_36 O_GB1_36 1 0.000000e+00 9.705552e-07 ; 2.810261e-01 -9.705552e-07 7.289710e-01 3.760078e-01 0.004395 0.001132 True md_ensemble 5 310 312 OD2_GB1_36 N_GB1_37 1 0.000000e+00 1.499911e-06 ; 2.914073e-01 -1.499911e-06 3.585800e-01 3.585205e-01 0.004395 0.001132 True md_ensemble 5 310 313 OD2_GB1_36 H_GB1_37 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 314 -OD2_GB1_36 CA_GB1_37 1 0.000000e+00 3.690450e-06 ; 3.141123e-01 -3.690450e-06 5.656061e-02 1.541870e-01 0.004395 0.001132 True md_ensemble 6 310 315 -OD2_GB1_36 CB_GB1_37 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 316 +OD2_GB1_36 CA_GB1_37 1 0.000000e+00 3.690480e-06 ; 3.141125e-01 -3.690480e-06 5.656061e-02 1.541870e-01 0.004395 0.001132 True md_ensemble 6 310 315 +OD2_GB1_36 CB_GB1_37 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 316 OD2_GB1_36 CG_GB1_37 1 9.722972e-04 2.050652e-06 ; 3.581092e-01 1.152514e-01 1.748726e-02 1.917293e-02 0.004395 0.011584 True md_ensemble 7 310 317 OD2_GB1_36 OD1_GB1_37 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 318 OD2_GB1_36 ND2_GB1_37 1 7.037856e-04 6.570294e-07 ; 3.126253e-01 1.884673e-01 8.641642e-02 2.292145e-02 0.004395 0.011584 True md_ensemble 7 310 319 OD2_GB1_36 O_GB1_37 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 321 OD2_GB1_36 H_GB1_38 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 323 -OD2_GB1_36 CA_GB1_38 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 324 +OD2_GB1_36 CA_GB1_38 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 324 OD2_GB1_36 O_GB1_38 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 326 OD2_GB1_36 H_GB1_39 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 328 -OD2_GB1_36 CB_GB1_39 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 330 +OD2_GB1_36 CB_GB1_39 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 330 OD2_GB1_36 CG1_GB1_39 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 331 OD2_GB1_36 CG2_GB1_39 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 332 OD2_GB1_36 O_GB1_39 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 334 OD2_GB1_36 H_GB1_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 336 -OD2_GB1_36 CB_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 338 +OD2_GB1_36 CB_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 338 OD2_GB1_36 OD1_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 340 OD2_GB1_36 OD2_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 341 OD2_GB1_36 O_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 343 OD2_GB1_36 H_GB1_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 345 -OD2_GB1_36 CA_GB1_41 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 346 +OD2_GB1_36 CA_GB1_41 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 346 OD2_GB1_36 O_GB1_41 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 348 OD2_GB1_36 H_GB1_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 350 -OD2_GB1_36 CB_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 352 -OD2_GB1_36 CG_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 353 +OD2_GB1_36 CB_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 352 +OD2_GB1_36 CG_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 353 OD2_GB1_36 OE1_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 355 OD2_GB1_36 OE2_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 356 OD2_GB1_36 O_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 358 OD2_GB1_36 H_GB1_43 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 360 -OD2_GB1_36 CB_GB1_43 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 362 +OD2_GB1_36 CB_GB1_43 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 362 OD2_GB1_36 O_GB1_43 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 373 OD2_GB1_36 H_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 375 -OD2_GB1_36 CB_GB1_44 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 377 +OD2_GB1_36 CB_GB1_44 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 377 OD2_GB1_36 CG2_GB1_44 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 379 OD2_GB1_36 O_GB1_44 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 381 OD2_GB1_36 H_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 383 -OD2_GB1_36 CB_GB1_45 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 385 +OD2_GB1_36 CB_GB1_45 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 385 OD2_GB1_36 O_GB1_45 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 394 OD2_GB1_36 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 396 -OD2_GB1_36 CB_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 398 +OD2_GB1_36 CB_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 398 OD2_GB1_36 OD1_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 400 OD2_GB1_36 OD2_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 401 OD2_GB1_36 O_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 403 OD2_GB1_36 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 405 -OD2_GB1_36 CB_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 407 +OD2_GB1_36 CB_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 407 OD2_GB1_36 OD1_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 409 OD2_GB1_36 OD2_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 410 OD2_GB1_36 O_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 412 @@ -38158,93 +38158,93 @@ OD2_GB1_36 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e- OD2_GB1_36 CB_GB1_48 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 416 OD2_GB1_36 O_GB1_48 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 418 OD2_GB1_36 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 420 -OD2_GB1_36 CB_GB1_49 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 422 +OD2_GB1_36 CB_GB1_49 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 422 OD2_GB1_36 CG2_GB1_49 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 424 OD2_GB1_36 O_GB1_49 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 426 OD2_GB1_36 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 428 -OD2_GB1_36 CB_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 430 -OD2_GB1_36 CG_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 431 -OD2_GB1_36 CD_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 432 -OD2_GB1_36 CE_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 433 +OD2_GB1_36 CB_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 430 +OD2_GB1_36 CG_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 431 +OD2_GB1_36 CD_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 432 +OD2_GB1_36 CE_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 433 OD2_GB1_36 O_GB1_50 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 436 OD2_GB1_36 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 438 -OD2_GB1_36 CB_GB1_51 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 440 +OD2_GB1_36 CB_GB1_51 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 440 OD2_GB1_36 CG2_GB1_51 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 442 OD2_GB1_36 O_GB1_51 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 444 OD2_GB1_36 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 446 -OD2_GB1_36 CB_GB1_52 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 448 +OD2_GB1_36 CB_GB1_52 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 448 OD2_GB1_36 O_GB1_52 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 456 OD2_GB1_36 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 458 -OD2_GB1_36 CB_GB1_53 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 460 +OD2_GB1_36 CB_GB1_53 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 460 OD2_GB1_36 CG2_GB1_53 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 462 OD2_GB1_36 O_GB1_53 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 464 OD2_GB1_36 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 466 -OD2_GB1_36 CB_GB1_54 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 468 +OD2_GB1_36 CB_GB1_54 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 468 OD2_GB1_36 CG1_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 469 OD2_GB1_36 CG2_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 470 OD2_GB1_36 O_GB1_54 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 472 OD2_GB1_36 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 474 -OD2_GB1_36 CB_GB1_55 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 476 +OD2_GB1_36 CB_GB1_55 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 476 OD2_GB1_36 CG2_GB1_55 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 478 OD2_GB1_36 O_GB1_55 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 480 OD2_GB1_36 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 482 -OD2_GB1_36 CB_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 484 -OD2_GB1_36 CG_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 485 +OD2_GB1_36 CB_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 484 +OD2_GB1_36 CG_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 485 OD2_GB1_36 OE1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 487 OD2_GB1_36 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 488 OD2_GB1_36 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 490 OD2_GB1_36 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 310 491 - C_GB1_36 CB_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 316 - C_GB1_36 CG_GB1_37 1 0.000000e+00 2.457052e-06 ; 3.036427e-01 -2.457052e-06 9.989295e-01 9.444696e-01 0.004395 0.001132 True md_ensemble 4 311 317 - C_GB1_36 OD1_GB1_37 1 0.000000e+00 8.857277e-07 ; 2.788924e-01 -8.857277e-07 3.563723e-01 4.274593e-01 0.004395 0.001132 True md_ensemble 5 311 318 - C_GB1_36 ND2_GB1_37 1 0.000000e+00 1.592821e-06 ; 2.928705e-01 -1.592821e-06 9.842841e-01 5.975299e-01 0.004395 0.001132 True md_ensemble 5 311 319 - C_GB1_36 O_GB1_37 1 0.000000e+00 9.247432e-07 ; 2.798960e-01 -9.247432e-07 7.021345e-01 8.204018e-01 0.004395 0.001132 True md_ensemble 4 311 321 - C_GB1_36 N_GB1_38 1 0.000000e+00 1.464187e-06 ; 2.908225e-01 -1.464187e-06 9.999966e-01 9.708469e-01 0.004395 0.001132 True md_ensemble 4 311 322 - C_GB1_36 CA_GB1_38 1 0.000000e+00 4.407411e-06 ; 3.187941e-01 -4.407411e-06 9.988275e-01 6.946655e-01 0.004395 0.001132 True md_ensemble 5 311 324 + C_GB1_36 CB_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 316 + C_GB1_36 CG_GB1_37 1 0.000000e+00 2.457009e-06 ; 3.036423e-01 -2.457009e-06 9.989295e-01 9.444696e-01 0.004395 0.001132 True md_ensemble 4 311 317 + C_GB1_36 OD1_GB1_37 1 0.000000e+00 8.857237e-07 ; 2.788923e-01 -8.857237e-07 3.563723e-01 4.274593e-01 0.004395 0.001132 True md_ensemble 5 311 318 + C_GB1_36 ND2_GB1_37 1 0.000000e+00 1.592811e-06 ; 2.928703e-01 -1.592811e-06 9.842841e-01 5.975299e-01 0.004395 0.001132 True md_ensemble 5 311 319 + C_GB1_36 O_GB1_37 1 0.000000e+00 9.247389e-07 ; 2.798959e-01 -9.247389e-07 7.021345e-01 8.204018e-01 0.004395 0.001132 True md_ensemble 4 311 321 + C_GB1_36 N_GB1_38 1 0.000000e+00 1.464166e-06 ; 2.908222e-01 -1.464166e-06 9.999966e-01 9.708469e-01 0.004395 0.001132 True md_ensemble 4 311 322 + C_GB1_36 CA_GB1_38 1 0.000000e+00 4.407337e-06 ; 3.187937e-01 -4.407337e-06 9.988275e-01 6.946655e-01 0.004395 0.001132 True md_ensemble 5 311 324 C_GB1_36 C_GB1_38 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 0.000000e+00 6.459870e-02 0.004395 0.001132 True md_ensemble 6 311 325 - C_GB1_36 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 330 - C_GB1_36 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 331 - C_GB1_36 CG2_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 332 - C_GB1_36 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 338 - C_GB1_36 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 346 - C_GB1_36 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 352 - C_GB1_36 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 353 - C_GB1_36 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 362 - C_GB1_36 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 377 - C_GB1_36 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 379 - C_GB1_36 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 385 - C_GB1_36 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 398 - C_GB1_36 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 407 - C_GB1_36 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 416 - C_GB1_36 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 422 - C_GB1_36 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 424 - C_GB1_36 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 430 - C_GB1_36 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 431 - C_GB1_36 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 432 - C_GB1_36 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 433 - C_GB1_36 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 440 - C_GB1_36 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 442 - C_GB1_36 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 448 - C_GB1_36 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 460 - C_GB1_36 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 462 - C_GB1_36 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 468 - C_GB1_36 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 469 - C_GB1_36 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 470 - C_GB1_36 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 476 - C_GB1_36 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 478 - C_GB1_36 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 484 - C_GB1_36 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 485 + C_GB1_36 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 330 + C_GB1_36 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 331 + C_GB1_36 CG2_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 332 + C_GB1_36 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 338 + C_GB1_36 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 346 + C_GB1_36 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 352 + C_GB1_36 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 353 + C_GB1_36 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 362 + C_GB1_36 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 377 + C_GB1_36 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 379 + C_GB1_36 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 385 + C_GB1_36 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 398 + C_GB1_36 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 407 + C_GB1_36 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 416 + C_GB1_36 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 422 + C_GB1_36 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 424 + C_GB1_36 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 430 + C_GB1_36 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 431 + C_GB1_36 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 432 + C_GB1_36 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 433 + C_GB1_36 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 440 + C_GB1_36 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 442 + C_GB1_36 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 448 + C_GB1_36 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 460 + C_GB1_36 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 462 + C_GB1_36 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 468 + C_GB1_36 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 469 + C_GB1_36 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 470 + C_GB1_36 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 476 + C_GB1_36 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 478 + C_GB1_36 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 484 + C_GB1_36 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 311 485 O_GB1_36 O_GB1_36 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 312 312 O_GB1_36 H_GB1_37 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 312 314 - O_GB1_36 CB_GB1_37 1 0.000000e+00 2.015610e-06 ; 2.986727e-01 -2.015610e-06 1.000000e+00 9.999773e-01 0.004395 0.001132 True md_ensemble 4 312 316 - O_GB1_36 CG_GB1_37 1 0.000000e+00 6.688977e-07 ; 2.724426e-01 -6.688977e-07 6.566059e-01 4.654861e-01 0.004395 0.001132 True md_ensemble 5 312 317 + O_GB1_36 CB_GB1_37 1 0.000000e+00 2.015603e-06 ; 2.986726e-01 -2.015603e-06 1.000000e+00 9.999773e-01 0.004395 0.001132 True md_ensemble 4 312 316 + O_GB1_36 CG_GB1_37 1 0.000000e+00 6.688946e-07 ; 2.724425e-01 -6.688946e-07 6.566059e-01 4.654861e-01 0.004395 0.001132 True md_ensemble 5 312 317 O_GB1_36 OD1_GB1_37 1 0.000000e+00 1.337806e-06 ; 2.886430e-01 -1.337806e-06 4.766769e-01 3.685475e-01 0.004395 0.001132 True md_ensemble 6 312 318 - O_GB1_36 ND2_GB1_37 1 0.000000e+00 7.796550e-07 ; 2.759435e-01 -7.796550e-07 2.976433e-01 2.408980e-01 0.004395 0.001132 True md_ensemble 6 312 319 - O_GB1_36 C_GB1_37 1 0.000000e+00 8.227622e-07 ; 2.771838e-01 -8.227622e-07 9.999940e-01 9.949384e-01 0.004395 0.001132 True md_ensemble 4 312 320 + O_GB1_36 ND2_GB1_37 1 0.000000e+00 7.796601e-07 ; 2.759437e-01 -7.796601e-07 2.976433e-01 2.408980e-01 0.004395 0.001132 True md_ensemble 6 312 319 + O_GB1_36 C_GB1_37 1 0.000000e+00 8.227584e-07 ; 2.771837e-01 -8.227584e-07 9.999940e-01 9.949384e-01 0.004395 0.001132 True md_ensemble 4 312 320 O_GB1_36 O_GB1_37 1 0.000000e+00 1.391942e-06 ; 2.895988e-01 -1.391942e-06 8.773674e-01 8.053290e-01 0.004395 0.001132 True md_ensemble 5 312 321 O_GB1_36 N_GB1_38 1 0.000000e+00 1.324858e-06 ; 2.884092e-01 -1.324858e-06 9.998400e-01 8.830784e-01 0.004395 0.001132 True md_ensemble 5 312 322 - O_GB1_36 H_GB1_38 1 0.000000e+00 1.268835e-08 ; 1.957847e-01 -1.268835e-08 3.828065e-01 2.005553e-01 0.004395 0.001132 True md_ensemble 6 312 323 - O_GB1_36 CA_GB1_38 1 0.000000e+00 1.634121e-06 ; 2.934959e-01 -1.634121e-06 5.309560e-01 3.416699e-01 0.004395 0.001132 True md_ensemble 6 312 324 + O_GB1_36 H_GB1_38 1 0.000000e+00 1.268855e-08 ; 1.957850e-01 -1.268855e-08 3.828065e-01 2.005553e-01 0.004395 0.001132 True md_ensemble 6 312 323 + O_GB1_36 CA_GB1_38 1 0.000000e+00 1.634115e-06 ; 2.934958e-01 -1.634115e-06 5.309560e-01 3.416699e-01 0.004395 0.001132 True md_ensemble 6 312 324 O_GB1_36 O_GB1_38 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 312 326 O_GB1_36 H_GB1_39 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 312 328 O_GB1_36 CB_GB1_39 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.487774e-01 0.004395 0.007862 True md_ensemble 7 312 330 @@ -38325,65 +38325,65 @@ OD2_GB1_36 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- O_GB1_36 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 312 488 O_GB1_36 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 312 490 O_GB1_36 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 312 491 - N_GB1_37 CB_GB1_37 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 316 + N_GB1_37 CB_GB1_37 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 316 N_GB1_37 OD1_GB1_37 1 0.000000e+00 1.410699e-06 ; 2.899220e-01 -1.410699e-06 9.992106e-01 9.396763e-01 0.004395 0.001132 True md_ensemble 4 313 318 - N_GB1_37 ND2_GB1_37 1 0.000000e+00 1.379724e-06 ; 2.893861e-01 -1.379724e-06 9.996869e-01 9.149584e-01 0.004395 0.001132 True md_ensemble 4 313 319 - N_GB1_37 CA_GB1_38 1 0.000000e+00 3.577724e-06 ; 3.133013e-01 -3.577724e-06 1.000000e+00 9.732438e-01 0.004395 0.001132 True md_ensemble 4 313 324 + N_GB1_37 ND2_GB1_37 1 0.000000e+00 1.379720e-06 ; 2.893860e-01 -1.379720e-06 9.996869e-01 9.149584e-01 0.004395 0.001132 True md_ensemble 4 313 319 + N_GB1_37 CA_GB1_38 1 0.000000e+00 3.577677e-06 ; 3.133010e-01 -3.577677e-06 1.000000e+00 9.732438e-01 0.004395 0.001132 True md_ensemble 4 313 324 N_GB1_37 C_GB1_38 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 3.397012e-03 4.855214e-02 0.004395 0.001132 True md_ensemble 5 313 325 N_GB1_37 O_GB1_38 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 0.000000e+00 8.616845e-02 0.004395 0.001132 True md_ensemble 6 313 326 - N_GB1_37 N_GB1_39 1 0.000000e+00 9.217469e-07 ; 2.798204e-01 -9.217469e-07 7.122295e-03 6.019351e-02 0.004395 0.001132 True md_ensemble 6 313 327 - N_GB1_37 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 330 - N_GB1_37 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 331 - N_GB1_37 CG2_GB1_39 1 0.000000e+00 2.909957e-06 ; 3.079538e-01 -2.909957e-06 7.847785e-03 6.874282e-02 0.004395 0.001132 True md_ensemble 7 313 332 + N_GB1_37 N_GB1_39 1 0.000000e+00 9.217373e-07 ; 2.798201e-01 -9.217373e-07 7.122295e-03 6.019351e-02 0.004395 0.001132 True md_ensemble 6 313 327 + N_GB1_37 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 330 + N_GB1_37 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 331 + N_GB1_37 CG2_GB1_39 1 0.000000e+00 2.909929e-06 ; 3.079535e-01 -2.909929e-06 7.847785e-03 6.874282e-02 0.004395 0.001132 True md_ensemble 7 313 332 N_GB1_37 N_GB1_40 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 3.374397e-04 0.004395 0.001132 True md_ensemble 7 313 335 - N_GB1_37 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 338 + N_GB1_37 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 338 N_GB1_37 N_GB1_41 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 2.403994e-04 0.004395 0.001132 True md_ensemble 7 313 344 - N_GB1_37 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 346 + N_GB1_37 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 346 N_GB1_37 N_GB1_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 313 349 - N_GB1_37 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 352 - N_GB1_37 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 353 + N_GB1_37 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 352 + N_GB1_37 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 353 N_GB1_37 N_GB1_43 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 313 359 - N_GB1_37 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 362 + N_GB1_37 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 362 N_GB1_37 N_GB1_44 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 313 374 - N_GB1_37 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 377 - N_GB1_37 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 379 + N_GB1_37 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 377 + N_GB1_37 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 379 N_GB1_37 N_GB1_45 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 313 382 - N_GB1_37 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 385 + N_GB1_37 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 385 N_GB1_37 N_GB1_46 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 313 395 - N_GB1_37 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 398 + N_GB1_37 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 398 N_GB1_37 N_GB1_47 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 313 404 - N_GB1_37 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 407 + N_GB1_37 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 407 N_GB1_37 N_GB1_48 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 313 413 - N_GB1_37 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 416 + N_GB1_37 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 416 N_GB1_37 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 313 419 - N_GB1_37 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 422 - N_GB1_37 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 424 + N_GB1_37 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 422 + N_GB1_37 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 424 N_GB1_37 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 313 427 - N_GB1_37 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 430 - N_GB1_37 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 431 - N_GB1_37 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 432 - N_GB1_37 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 433 + N_GB1_37 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 430 + N_GB1_37 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 431 + N_GB1_37 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 432 + N_GB1_37 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 433 N_GB1_37 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 6.996365e-05 0.004395 0.001132 True md_ensemble 7 313 434 N_GB1_37 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 313 437 - N_GB1_37 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 440 - N_GB1_37 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 442 + N_GB1_37 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 440 + N_GB1_37 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 442 N_GB1_37 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 313 445 - N_GB1_37 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 448 + N_GB1_37 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 448 N_GB1_37 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 313 457 - N_GB1_37 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 460 - N_GB1_37 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 462 + N_GB1_37 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 460 + N_GB1_37 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 462 N_GB1_37 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 313 465 - N_GB1_37 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 468 - N_GB1_37 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 469 - N_GB1_37 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 470 + N_GB1_37 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 468 + N_GB1_37 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 469 + N_GB1_37 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 470 N_GB1_37 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 313 473 - N_GB1_37 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 476 - N_GB1_37 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 478 + N_GB1_37 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 476 + N_GB1_37 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 478 N_GB1_37 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 313 481 - N_GB1_37 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 484 - N_GB1_37 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 485 + N_GB1_37 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 484 + N_GB1_37 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 313 485 H_GB1_37 H_GB1_37 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 314 314 - H_GB1_37 OD1_GB1_37 1 0.000000e+00 1.829233e-08 ; 2.018447e-01 -1.829233e-08 7.240667e-03 1.861589e-01 0.004395 0.001132 True md_ensemble 5 314 318 + H_GB1_37 OD1_GB1_37 1 0.000000e+00 1.829262e-08 ; 2.018450e-01 -1.829262e-08 7.240667e-03 1.861589e-01 0.004395 0.001132 True md_ensemble 5 314 318 H_GB1_37 O_GB1_37 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 314 321 H_GB1_37 H_GB1_38 1 0.000000e+00 6.777810e-09 ; 1.858171e-01 -6.777810e-09 9.950698e-01 5.598873e-01 0.004395 0.001132 True md_ensemble 5 314 323 H_GB1_37 O_GB1_38 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 314 326 @@ -38440,142 +38440,142 @@ OD2_GB1_36 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- H_GB1_37 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 314 488 H_GB1_37 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 314 490 H_GB1_37 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 314 491 - CA_GB1_37 C_GB1_38 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 315 325 + CA_GB1_37 C_GB1_38 1 0.000000e+00 1.305180e-05 ; 3.489803e-01 -1.305180e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 315 325 CA_GB1_37 O_GB1_38 1 0.000000e+00 4.153495e-06 ; 3.172216e-01 -4.153495e-06 2.540950e-03 2.856428e-01 0.004395 0.001132 True md_ensemble 5 315 326 - CA_GB1_37 N_GB1_39 1 0.000000e+00 5.498258e-06 ; 3.247235e-01 -5.498258e-06 9.997306e-01 7.255737e-01 0.004395 0.001132 True md_ensemble 5 315 327 - CA_GB1_37 CA_GB1_39 1 0.000000e+00 4.683726e-05 ; 3.881899e-01 -4.683726e-05 9.992103e-01 7.136749e-01 0.004395 0.001132 True md_ensemble 6 315 329 + CA_GB1_37 N_GB1_39 1 0.000000e+00 5.498249e-06 ; 3.247235e-01 -5.498249e-06 9.997306e-01 7.255737e-01 0.004395 0.001132 True md_ensemble 5 315 327 + CA_GB1_37 CA_GB1_39 1 0.000000e+00 4.683760e-05 ; 3.881902e-01 -4.683760e-05 9.992103e-01 7.136749e-01 0.004395 0.001132 True md_ensemble 6 315 329 CA_GB1_37 CB_GB1_39 1 7.950713e-03 1.327511e-04 ; 5.055592e-01 1.190458e-01 9.956008e-01 5.669868e-01 0.004395 0.006476 True md_ensemble 7 315 330 - CA_GB1_37 CG1_GB1_39 1 0.000000e+00 2.807154e-05 ; 3.719779e-01 -2.807154e-05 1.607889e-02 1.986403e-01 0.004395 0.010759 True md_ensemble 7 315 331 + CA_GB1_37 CG1_GB1_39 1 0.000000e+00 2.807152e-05 ; 3.719779e-01 -2.807152e-05 1.607889e-02 1.986403e-01 0.004395 0.010759 True md_ensemble 7 315 331 CA_GB1_37 CG2_GB1_39 1 4.175392e-03 2.677485e-05 ; 4.310275e-01 1.627824e-01 9.881703e-01 4.004816e-01 0.004395 0.010759 True md_ensemble 7 315 332 - CB_GB1_37 CG_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 317 + CB_GB1_37 CG_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 317 CB_GB1_37 OD1_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 318 - CB_GB1_37 ND2_GB1_37 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 319 - CB_GB1_37 C_GB1_37 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 320 + CB_GB1_37 ND2_GB1_37 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 319 + CB_GB1_37 C_GB1_37 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 320 CB_GB1_37 O_GB1_37 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 321 - CB_GB1_37 N_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 322 - CB_GB1_37 CA_GB1_38 1 0.000000e+00 1.543898e-05 ; 3.538994e-01 -1.543898e-05 9.999950e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 316 324 - CB_GB1_37 C_GB1_38 1 0.000000e+00 4.396459e-06 ; 3.187280e-01 -4.396459e-06 6.688559e-01 3.629648e-01 0.004395 0.001132 True md_ensemble 5 316 325 + CB_GB1_37 N_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 322 + CB_GB1_37 CA_GB1_38 1 0.000000e+00 1.543873e-05 ; 3.538990e-01 -1.543873e-05 9.999950e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 316 324 + CB_GB1_37 C_GB1_38 1 0.000000e+00 4.396385e-06 ; 3.187276e-01 -4.396385e-06 6.688559e-01 3.629648e-01 0.004395 0.001132 True md_ensemble 5 316 325 CB_GB1_37 O_GB1_38 1 0.000000e+00 2.015656e-06 ; 2.986733e-01 -2.015656e-06 1.658350e-04 8.156168e-02 0.004395 0.001132 True md_ensemble 6 316 326 - CB_GB1_37 N_GB1_39 1 0.000000e+00 1.679485e-06 ; 2.941664e-01 -1.679485e-06 8.237259e-01 2.805942e-01 0.004395 0.001132 True md_ensemble 6 316 327 + CB_GB1_37 N_GB1_39 1 0.000000e+00 1.679463e-06 ; 2.941660e-01 -1.679463e-06 8.237259e-01 2.805942e-01 0.004395 0.001132 True md_ensemble 6 316 327 CB_GB1_37 CA_GB1_39 1 9.331560e-03 1.404901e-04 ; 4.969148e-01 1.549540e-01 8.986880e-01 2.803949e-01 0.004395 0.007117 True md_ensemble 7 316 329 CB_GB1_37 CB_GB1_39 1 5.845670e-03 5.203971e-05 ; 4.552501e-01 1.641625e-01 9.769811e-01 2.549943e-01 0.004395 0.007117 True md_ensemble 7 316 330 - CB_GB1_37 CG1_GB1_39 1 0.000000e+00 1.258883e-05 ; 3.479315e-01 -1.258883e-05 1.873574e-02 1.115340e-01 0.004395 0.012151 True md_ensemble 7 316 331 + CB_GB1_37 CG1_GB1_39 1 0.000000e+00 1.258868e-05 ; 3.479312e-01 -1.258868e-05 1.873574e-02 1.115340e-01 0.004395 0.012151 True md_ensemble 7 316 331 CB_GB1_37 CG2_GB1_39 1 1.815932e-03 4.057600e-06 ; 3.615721e-01 2.031748e-01 9.893196e-01 2.069793e-01 0.004395 0.012151 True md_ensemble 7 316 332 - CB_GB1_37 C_GB1_39 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 333 + CB_GB1_37 C_GB1_39 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 333 CB_GB1_37 O_GB1_39 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 4.549250e-05 5.391304e-02 0.004395 0.007862 True md_ensemble 7 316 334 - CB_GB1_37 N_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 335 - CB_GB1_37 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 339 - CB_GB1_37 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 340 - CB_GB1_37 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 341 - CB_GB1_37 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 342 + CB_GB1_37 N_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 335 + CB_GB1_37 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 339 + CB_GB1_37 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 340 + CB_GB1_37 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 341 + CB_GB1_37 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 342 CB_GB1_37 O_GB1_40 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.356547e-02 0.004395 0.007862 True md_ensemble 7 316 343 - CB_GB1_37 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 344 - CB_GB1_37 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 347 + CB_GB1_37 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 344 + CB_GB1_37 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 347 CB_GB1_37 O_GB1_41 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.214511e-03 0.004395 0.007862 True md_ensemble 7 316 348 - CB_GB1_37 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 349 - CB_GB1_37 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 354 - CB_GB1_37 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 355 - CB_GB1_37 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 356 - CB_GB1_37 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 357 + CB_GB1_37 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 349 + CB_GB1_37 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 354 + CB_GB1_37 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 355 + CB_GB1_37 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 356 + CB_GB1_37 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 357 CB_GB1_37 O_GB1_42 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.089689e-03 0.004395 0.007862 True md_ensemble 7 316 358 - CB_GB1_37 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 359 - CB_GB1_37 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 366 - CB_GB1_37 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 372 + CB_GB1_37 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 359 + CB_GB1_37 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 366 + CB_GB1_37 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 372 CB_GB1_37 O_GB1_43 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.512353e-03 0.004395 0.007862 True md_ensemble 7 316 373 - CB_GB1_37 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 374 - CB_GB1_37 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 378 - CB_GB1_37 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 380 + CB_GB1_37 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 374 + CB_GB1_37 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 378 + CB_GB1_37 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 380 CB_GB1_37 O_GB1_44 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.055500e-04 0.004395 0.007862 True md_ensemble 7 316 381 - CB_GB1_37 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 382 - CB_GB1_37 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 392 - CB_GB1_37 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 393 + CB_GB1_37 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 382 + CB_GB1_37 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 392 + CB_GB1_37 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 393 CB_GB1_37 O_GB1_45 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.445889e-04 0.004395 0.007862 True md_ensemble 7 316 394 - CB_GB1_37 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 395 - CB_GB1_37 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 399 - CB_GB1_37 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 400 - CB_GB1_37 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 401 - CB_GB1_37 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 402 + CB_GB1_37 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 395 + CB_GB1_37 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 399 + CB_GB1_37 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 400 + CB_GB1_37 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 401 + CB_GB1_37 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 402 CB_GB1_37 O_GB1_46 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.086053e-03 0.004395 0.007862 True md_ensemble 7 316 403 - CB_GB1_37 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 404 - CB_GB1_37 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 408 - CB_GB1_37 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 409 - CB_GB1_37 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 410 - CB_GB1_37 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 411 + CB_GB1_37 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 404 + CB_GB1_37 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 408 + CB_GB1_37 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 409 + CB_GB1_37 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 410 + CB_GB1_37 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 411 CB_GB1_37 O_GB1_47 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.889267e-04 0.004395 0.007862 True md_ensemble 7 316 412 - CB_GB1_37 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 413 - CB_GB1_37 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 417 + CB_GB1_37 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 413 + CB_GB1_37 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 417 CB_GB1_37 O_GB1_48 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.078555e-04 0.004395 0.007862 True md_ensemble 7 316 418 - CB_GB1_37 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 419 - CB_GB1_37 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 423 - CB_GB1_37 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 425 + CB_GB1_37 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 419 + CB_GB1_37 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 423 + CB_GB1_37 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 425 CB_GB1_37 O_GB1_49 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.999149e-04 0.004395 0.007862 True md_ensemble 7 316 426 - CB_GB1_37 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 427 - CB_GB1_37 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 434 - CB_GB1_37 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 435 + CB_GB1_37 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 427 + CB_GB1_37 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 434 + CB_GB1_37 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 435 CB_GB1_37 O_GB1_50 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.870635e-04 0.004395 0.007862 True md_ensemble 7 316 436 - CB_GB1_37 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 437 - CB_GB1_37 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 441 - CB_GB1_37 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 443 + CB_GB1_37 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 437 + CB_GB1_37 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 441 + CB_GB1_37 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 443 CB_GB1_37 O_GB1_51 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.998987e-04 0.004395 0.007862 True md_ensemble 7 316 444 - CB_GB1_37 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 445 - CB_GB1_37 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 455 + CB_GB1_37 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 445 + CB_GB1_37 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 455 CB_GB1_37 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.999861e-04 0.004395 0.007862 True md_ensemble 7 316 456 - CB_GB1_37 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 457 - CB_GB1_37 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 461 - CB_GB1_37 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 463 + CB_GB1_37 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 457 + CB_GB1_37 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 461 + CB_GB1_37 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 463 CB_GB1_37 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.316803e-04 0.004395 0.007862 True md_ensemble 7 316 464 - CB_GB1_37 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 465 - CB_GB1_37 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 471 + CB_GB1_37 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 465 + CB_GB1_37 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 471 CB_GB1_37 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.871238e-04 0.004395 0.007862 True md_ensemble 7 316 472 - CB_GB1_37 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 473 - CB_GB1_37 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 477 - CB_GB1_37 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 479 + CB_GB1_37 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 473 + CB_GB1_37 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 477 + CB_GB1_37 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 479 CB_GB1_37 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.722027e-04 0.004395 0.007862 True md_ensemble 7 316 480 - CB_GB1_37 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 481 - CB_GB1_37 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 486 - CB_GB1_37 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 487 - CB_GB1_37 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 488 - CB_GB1_37 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 489 - CB_GB1_37 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 490 - CB_GB1_37 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 491 - CG_GB1_37 O_GB1_37 1 0.000000e+00 5.704693e-07 ; 2.688527e-01 -5.704693e-07 9.664112e-01 6.562646e-01 0.004395 0.001132 True md_ensemble 4 317 321 - CG_GB1_37 N_GB1_38 1 0.000000e+00 2.227910e-06 ; 3.011756e-01 -2.227910e-06 1.668527e-01 6.441011e-01 0.004395 0.001132 True md_ensemble 4 317 322 - CG_GB1_37 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 324 + CB_GB1_37 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 481 + CB_GB1_37 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 486 + CB_GB1_37 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 487 + CB_GB1_37 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 488 + CB_GB1_37 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 489 + CB_GB1_37 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 490 + CB_GB1_37 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 316 491 + CG_GB1_37 O_GB1_37 1 0.000000e+00 5.704667e-07 ; 2.688526e-01 -5.704667e-07 9.664112e-01 6.562646e-01 0.004395 0.001132 True md_ensemble 4 317 321 + CG_GB1_37 N_GB1_38 1 0.000000e+00 2.227879e-06 ; 3.011753e-01 -2.227879e-06 1.668527e-01 6.441011e-01 0.004395 0.001132 True md_ensemble 4 317 322 + CG_GB1_37 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 324 CG_GB1_37 C_GB1_38 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 6.441000e-05 2.548194e-02 0.004395 0.001132 True md_ensemble 6 317 325 - CG_GB1_37 CB_GB1_39 1 0.000000e+00 1.382444e-05 ; 3.506568e-01 -1.382444e-05 7.542505e-03 6.673537e-02 0.004395 0.001132 True md_ensemble 7 317 330 - CG_GB1_37 CG1_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 331 - CG_GB1_37 CG2_GB1_39 1 0.000000e+00 4.443086e-06 ; 3.190084e-01 -4.443086e-06 1.562416e-01 9.635526e-02 0.004395 0.001132 True md_ensemble 7 317 332 - CG_GB1_37 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 338 - CG_GB1_37 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 346 - CG_GB1_37 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 352 - CG_GB1_37 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 353 - CG_GB1_37 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 362 - CG_GB1_37 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 377 - CG_GB1_37 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 379 - CG_GB1_37 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 385 - CG_GB1_37 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 398 - CG_GB1_37 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 407 - CG_GB1_37 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 416 - CG_GB1_37 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 422 - CG_GB1_37 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 424 - CG_GB1_37 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 430 - CG_GB1_37 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 431 - CG_GB1_37 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 432 - CG_GB1_37 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 433 - CG_GB1_37 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 440 - CG_GB1_37 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 442 - CG_GB1_37 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 448 - CG_GB1_37 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 460 - CG_GB1_37 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 462 - CG_GB1_37 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 468 - CG_GB1_37 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 469 - CG_GB1_37 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 470 - CG_GB1_37 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 476 - CG_GB1_37 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 478 - CG_GB1_37 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 484 - CG_GB1_37 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 485 + CG_GB1_37 CB_GB1_39 1 0.000000e+00 1.382437e-05 ; 3.506567e-01 -1.382437e-05 7.542505e-03 6.673537e-02 0.004395 0.001132 True md_ensemble 7 317 330 + CG_GB1_37 CG1_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 331 + CG_GB1_37 CG2_GB1_39 1 0.000000e+00 4.443028e-06 ; 3.190080e-01 -4.443028e-06 1.562416e-01 9.635526e-02 0.004395 0.001132 True md_ensemble 7 317 332 + CG_GB1_37 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 338 + CG_GB1_37 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 346 + CG_GB1_37 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 352 + CG_GB1_37 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 353 + CG_GB1_37 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 362 + CG_GB1_37 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 377 + CG_GB1_37 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 379 + CG_GB1_37 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 385 + CG_GB1_37 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 398 + CG_GB1_37 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 407 + CG_GB1_37 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 416 + CG_GB1_37 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 422 + CG_GB1_37 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 424 + CG_GB1_37 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 430 + CG_GB1_37 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 431 + CG_GB1_37 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 432 + CG_GB1_37 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 433 + CG_GB1_37 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 440 + CG_GB1_37 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 442 + CG_GB1_37 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 448 + CG_GB1_37 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 460 + CG_GB1_37 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 462 + CG_GB1_37 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 468 + CG_GB1_37 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 469 + CG_GB1_37 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 470 + CG_GB1_37 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 476 + CG_GB1_37 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 478 + CG_GB1_37 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 484 + CG_GB1_37 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 317 485 OD1_GB1_37 OD1_GB1_37 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 318 318 -OD1_GB1_37 C_GB1_37 1 0.000000e+00 6.466010e-07 ; 2.716740e-01 -6.466010e-07 7.837696e-01 5.656870e-01 0.004395 0.001132 True md_ensemble 4 318 320 +OD1_GB1_37 C_GB1_37 1 0.000000e+00 6.465980e-07 ; 2.716739e-01 -6.465980e-07 7.837696e-01 5.656870e-01 0.004395 0.001132 True md_ensemble 4 318 320 OD1_GB1_37 O_GB1_37 1 0.000000e+00 8.672178e-07 ; 2.784020e-01 -8.672178e-07 7.793889e-01 3.575341e-01 0.004395 0.001132 True md_ensemble 5 318 321 OD1_GB1_37 N_GB1_38 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 2.026747e-03 2.669090e-01 0.004395 0.001132 True md_ensemble 5 318 322 OD1_GB1_37 H_GB1_38 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 318 323 @@ -38660,87 +38660,87 @@ OD1_GB1_37 OE1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- OD1_GB1_37 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 318 488 OD1_GB1_37 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 318 490 OD1_GB1_37 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 318 491 -ND2_GB1_37 C_GB1_37 1 0.000000e+00 2.482532e-06 ; 3.039039e-01 -2.482532e-06 9.692210e-01 9.250108e-01 0.004395 0.001132 True md_ensemble 4 319 320 -ND2_GB1_37 O_GB1_37 1 0.000000e+00 1.026449e-06 ; 2.823405e-01 -1.026449e-06 4.774202e-03 2.466096e-01 0.004395 0.001132 True md_ensemble 5 319 321 +ND2_GB1_37 C_GB1_37 1 0.000000e+00 2.482516e-06 ; 3.039037e-01 -2.482516e-06 9.692210e-01 9.250108e-01 0.004395 0.001132 True md_ensemble 4 319 320 +ND2_GB1_37 O_GB1_37 1 0.000000e+00 1.026456e-06 ; 2.823406e-01 -1.026456e-06 4.774202e-03 2.466096e-01 0.004395 0.001132 True md_ensemble 5 319 321 ND2_GB1_37 N_GB1_38 1 0.000000e+00 1.507448e-06 ; 2.915291e-01 -1.507448e-06 2.416525e-04 2.238790e-01 0.004395 0.001132 True md_ensemble 5 319 322 -ND2_GB1_37 CA_GB1_38 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 324 -ND2_GB1_37 CB_GB1_39 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 330 -ND2_GB1_37 CG1_GB1_39 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 331 -ND2_GB1_37 CG2_GB1_39 1 0.000000e+00 5.017620e-06 ; 3.222576e-01 -5.017620e-06 7.314637e-03 6.948807e-02 0.004395 0.001132 True md_ensemble 7 319 332 -ND2_GB1_37 CB_GB1_40 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 338 -ND2_GB1_37 CA_GB1_41 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 346 -ND2_GB1_37 CB_GB1_42 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 352 -ND2_GB1_37 CG_GB1_42 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 353 -ND2_GB1_37 CB_GB1_43 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 362 -ND2_GB1_37 CB_GB1_44 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 377 -ND2_GB1_37 CG2_GB1_44 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 379 -ND2_GB1_37 CB_GB1_45 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 385 -ND2_GB1_37 CB_GB1_46 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 398 -ND2_GB1_37 CB_GB1_47 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 407 -ND2_GB1_37 CB_GB1_48 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 416 -ND2_GB1_37 CB_GB1_49 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 422 -ND2_GB1_37 CG2_GB1_49 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 424 -ND2_GB1_37 CB_GB1_50 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 430 -ND2_GB1_37 CG_GB1_50 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 431 -ND2_GB1_37 CD_GB1_50 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 432 -ND2_GB1_37 CE_GB1_50 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 433 -ND2_GB1_37 CB_GB1_51 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 440 -ND2_GB1_37 CG2_GB1_51 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 442 -ND2_GB1_37 CB_GB1_52 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 448 -ND2_GB1_37 CB_GB1_53 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 460 -ND2_GB1_37 CG2_GB1_53 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 462 -ND2_GB1_37 CB_GB1_54 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 468 -ND2_GB1_37 CG1_GB1_54 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 469 -ND2_GB1_37 CG2_GB1_54 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 470 -ND2_GB1_37 CB_GB1_55 1 0.000000e+00 1.304580e-05 ; 1.162248e-05 -1.304580e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 476 -ND2_GB1_37 CG2_GB1_55 1 0.000000e+00 4.723918e-06 ; 4.208533e-06 -4.723918e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 478 -ND2_GB1_37 CB_GB1_56 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 484 -ND2_GB1_37 CG_GB1_56 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 485 - C_GB1_37 CA_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 324 - C_GB1_37 O_GB1_38 1 0.000000e+00 6.176942e-07 ; 2.706405e-01 -6.176942e-07 9.417989e-01 6.887601e-01 0.004395 0.001132 True md_ensemble 4 320 326 - C_GB1_37 N_GB1_39 1 0.000000e+00 1.432315e-06 ; 2.902897e-01 -1.432315e-06 1.000000e+00 9.497175e-01 0.004395 0.001132 True md_ensemble 4 320 327 - C_GB1_37 CA_GB1_39 1 0.000000e+00 1.067813e-05 ; 3.431913e-01 -1.067813e-05 9.998732e-01 8.180040e-01 0.004395 0.001132 True md_ensemble 5 320 329 - C_GB1_37 CB_GB1_39 1 0.000000e+00 6.670843e-06 ; 3.299971e-01 -6.670843e-06 9.957516e-01 5.068543e-01 0.004395 0.001132 True md_ensemble 6 320 330 - C_GB1_37 CG1_GB1_39 1 0.000000e+00 5.378512e-06 ; 3.241282e-01 -5.378512e-06 1.635949e-02 1.544001e-01 0.004395 0.001132 True md_ensemble 7 320 331 - C_GB1_37 CG2_GB1_39 1 0.000000e+00 1.531290e-06 ; 2.919105e-01 -1.531290e-06 9.880679e-01 3.120739e-01 0.004395 0.001132 True md_ensemble 7 320 332 +ND2_GB1_37 CA_GB1_38 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 324 +ND2_GB1_37 CB_GB1_39 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 330 +ND2_GB1_37 CG1_GB1_39 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 331 +ND2_GB1_37 CG2_GB1_39 1 0.000000e+00 5.017611e-06 ; 3.222575e-01 -5.017611e-06 7.314637e-03 6.948807e-02 0.004395 0.001132 True md_ensemble 7 319 332 +ND2_GB1_37 CB_GB1_40 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 338 +ND2_GB1_37 CA_GB1_41 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 346 +ND2_GB1_37 CB_GB1_42 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 352 +ND2_GB1_37 CG_GB1_42 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 353 +ND2_GB1_37 CB_GB1_43 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 362 +ND2_GB1_37 CB_GB1_44 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 377 +ND2_GB1_37 CG2_GB1_44 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 379 +ND2_GB1_37 CB_GB1_45 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 385 +ND2_GB1_37 CB_GB1_46 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 398 +ND2_GB1_37 CB_GB1_47 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 407 +ND2_GB1_37 CB_GB1_48 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 416 +ND2_GB1_37 CB_GB1_49 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 422 +ND2_GB1_37 CG2_GB1_49 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 424 +ND2_GB1_37 CB_GB1_50 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 430 +ND2_GB1_37 CG_GB1_50 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 431 +ND2_GB1_37 CD_GB1_50 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 432 +ND2_GB1_37 CE_GB1_50 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 433 +ND2_GB1_37 CB_GB1_51 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 440 +ND2_GB1_37 CG2_GB1_51 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 442 +ND2_GB1_37 CB_GB1_52 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 448 +ND2_GB1_37 CB_GB1_53 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 460 +ND2_GB1_37 CG2_GB1_53 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 462 +ND2_GB1_37 CB_GB1_54 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 468 +ND2_GB1_37 CG1_GB1_54 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 469 +ND2_GB1_37 CG2_GB1_54 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 470 +ND2_GB1_37 CB_GB1_55 1 0.000000e+00 1.304587e-05 ; 1.162255e-05 -1.304587e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 476 +ND2_GB1_37 CG2_GB1_55 1 0.000000e+00 4.723909e-06 ; 4.208525e-06 -4.723909e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 478 +ND2_GB1_37 CB_GB1_56 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 484 +ND2_GB1_37 CG_GB1_56 1 0.000000e+00 6.330980e-06 ; 5.640262e-06 -6.330980e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 319 485 + C_GB1_37 CA_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 324 + C_GB1_37 O_GB1_38 1 0.000000e+00 6.176914e-07 ; 2.706404e-01 -6.176914e-07 9.417989e-01 6.887601e-01 0.004395 0.001132 True md_ensemble 4 320 326 + C_GB1_37 N_GB1_39 1 0.000000e+00 1.432295e-06 ; 2.902893e-01 -1.432295e-06 1.000000e+00 9.497175e-01 0.004395 0.001132 True md_ensemble 4 320 327 + C_GB1_37 CA_GB1_39 1 0.000000e+00 1.067808e-05 ; 3.431912e-01 -1.067808e-05 9.998732e-01 8.180040e-01 0.004395 0.001132 True md_ensemble 5 320 329 + C_GB1_37 CB_GB1_39 1 0.000000e+00 6.670809e-06 ; 3.299969e-01 -6.670809e-06 9.957516e-01 5.068543e-01 0.004395 0.001132 True md_ensemble 6 320 330 + C_GB1_37 CG1_GB1_39 1 0.000000e+00 5.378441e-06 ; 3.241279e-01 -5.378441e-06 1.635949e-02 1.544001e-01 0.004395 0.001132 True md_ensemble 7 320 331 + C_GB1_37 CG2_GB1_39 1 0.000000e+00 1.531270e-06 ; 2.919102e-01 -1.531270e-06 9.880679e-01 3.120739e-01 0.004395 0.001132 True md_ensemble 7 320 332 C_GB1_37 C_GB1_39 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 6.675000e-07 8.754094e-02 0.004395 0.001132 True md_ensemble 6 320 333 - C_GB1_37 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 338 - C_GB1_37 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 346 - C_GB1_37 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 352 - C_GB1_37 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 353 - C_GB1_37 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 362 - C_GB1_37 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 377 - C_GB1_37 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 379 - C_GB1_37 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 385 - C_GB1_37 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 398 - C_GB1_37 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 407 - C_GB1_37 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 416 - C_GB1_37 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 422 - C_GB1_37 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 424 - C_GB1_37 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 430 - C_GB1_37 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 431 - C_GB1_37 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 432 - C_GB1_37 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 433 - C_GB1_37 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 440 - C_GB1_37 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 442 - C_GB1_37 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 448 - C_GB1_37 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 460 - C_GB1_37 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 462 - C_GB1_37 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 468 - C_GB1_37 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 469 - C_GB1_37 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 470 - C_GB1_37 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 476 - C_GB1_37 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 478 - C_GB1_37 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 484 - C_GB1_37 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 485 + C_GB1_37 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 338 + C_GB1_37 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 346 + C_GB1_37 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 352 + C_GB1_37 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 353 + C_GB1_37 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 362 + C_GB1_37 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 377 + C_GB1_37 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 379 + C_GB1_37 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 385 + C_GB1_37 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 398 + C_GB1_37 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 407 + C_GB1_37 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 416 + C_GB1_37 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 422 + C_GB1_37 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 424 + C_GB1_37 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 430 + C_GB1_37 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 431 + C_GB1_37 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 432 + C_GB1_37 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 433 + C_GB1_37 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 440 + C_GB1_37 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 442 + C_GB1_37 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 448 + C_GB1_37 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 460 + C_GB1_37 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 462 + C_GB1_37 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 468 + C_GB1_37 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 469 + C_GB1_37 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 470 + C_GB1_37 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 476 + C_GB1_37 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 478 + C_GB1_37 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 484 + C_GB1_37 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 320 485 O_GB1_37 O_GB1_37 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 321 321 O_GB1_37 H_GB1_38 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 321 323 O_GB1_37 CA_GB1_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 321 324 - O_GB1_37 C_GB1_38 1 0.000000e+00 8.251483e-07 ; 2.772507e-01 -8.251483e-07 9.999985e-01 9.978284e-01 0.004395 0.001132 True md_ensemble 4 321 325 + O_GB1_37 C_GB1_38 1 0.000000e+00 8.251445e-07 ; 2.772506e-01 -8.251445e-07 9.999985e-01 9.978284e-01 0.004395 0.001132 True md_ensemble 4 321 325 O_GB1_37 O_GB1_38 1 0.000000e+00 1.103680e-06 ; 2.840525e-01 -1.103680e-06 9.975394e-01 7.333258e-01 0.004395 0.001132 True md_ensemble 5 321 326 O_GB1_37 N_GB1_39 1 0.000000e+00 1.269796e-06 ; 2.873908e-01 -1.269796e-06 9.995776e-01 8.461083e-01 0.004395 0.001132 True md_ensemble 5 321 327 - O_GB1_37 H_GB1_39 1 0.000000e+00 1.500569e-08 ; 1.985408e-01 -1.500569e-08 2.314730e-01 1.985713e-01 0.004395 0.001132 True md_ensemble 6 321 328 - O_GB1_37 CA_GB1_39 1 0.000000e+00 1.965460e-06 ; 2.980463e-01 -1.965460e-06 9.376002e-01 4.108066e-01 0.004395 0.001132 True md_ensemble 6 321 329 + O_GB1_37 H_GB1_39 1 0.000000e+00 1.500593e-08 ; 1.985410e-01 -1.500593e-08 2.314730e-01 1.985713e-01 0.004395 0.001132 True md_ensemble 6 321 328 + O_GB1_37 CA_GB1_39 1 0.000000e+00 1.965476e-06 ; 2.980465e-01 -1.965476e-06 9.376002e-01 4.108066e-01 0.004395 0.001132 True md_ensemble 6 321 329 O_GB1_37 CB_GB1_39 1 3.664481e-03 1.848313e-05 ; 4.141209e-01 1.816308e-01 7.574478e-01 1.556635e-01 0.004395 0.007862 True md_ensemble 7 321 330 O_GB1_37 CG1_GB1_39 1 0.000000e+00 1.588726e-06 ; 2.928076e-01 -1.588726e-06 1.343598e-02 6.977540e-02 0.004395 0.007862 True md_ensemble 7 321 331 O_GB1_37 CG2_GB1_39 1 8.963810e-04 9.833623e-07 ; 3.211467e-01 2.042734e-01 9.223745e-01 1.222184e-01 0.004395 0.007862 True md_ensemble 7 321 332 @@ -38819,60 +38819,60 @@ ND2_GB1_37 CG_GB1_56 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e- O_GB1_37 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 321 488 O_GB1_37 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 321 490 O_GB1_37 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 321 491 - N_GB1_38 CA_GB1_38 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 324 - N_GB1_38 CA_GB1_39 1 0.000000e+00 7.574773e-06 ; 3.335102e-01 -7.574773e-06 9.999986e-01 9.999693e-01 0.004395 0.001132 True md_ensemble 4 322 329 - N_GB1_38 CB_GB1_39 1 0.000000e+00 5.390243e-06 ; 3.241871e-01 -5.390243e-06 9.996454e-01 7.112291e-01 0.004395 0.001132 True md_ensemble 5 322 330 - N_GB1_38 CG1_GB1_39 1 0.000000e+00 3.220599e-06 ; 3.105678e-01 -3.220599e-06 1.282995e-02 1.869772e-01 0.004395 0.001132 True md_ensemble 6 322 331 - N_GB1_38 CG2_GB1_39 1 0.000000e+00 1.264776e-06 ; 2.872959e-01 -1.264776e-06 9.429321e-01 4.040367e-01 0.004395 0.001132 True md_ensemble 6 322 332 - N_GB1_38 C_GB1_39 1 0.000000e+00 1.670543e-06 ; 2.940355e-01 -1.670543e-06 5.688620e-03 1.133662e-01 0.004395 0.001132 True md_ensemble 5 322 333 + N_GB1_38 CA_GB1_38 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 324 + N_GB1_38 CA_GB1_39 1 0.000000e+00 7.574761e-06 ; 3.335102e-01 -7.574761e-06 9.999986e-01 9.999693e-01 0.004395 0.001132 True md_ensemble 4 322 329 + N_GB1_38 CB_GB1_39 1 0.000000e+00 5.390234e-06 ; 3.241870e-01 -5.390234e-06 9.996454e-01 7.112291e-01 0.004395 0.001132 True md_ensemble 5 322 330 + N_GB1_38 CG1_GB1_39 1 0.000000e+00 3.220569e-06 ; 3.105675e-01 -3.220569e-06 1.282995e-02 1.869772e-01 0.004395 0.001132 True md_ensemble 6 322 331 + N_GB1_38 CG2_GB1_39 1 0.000000e+00 1.264764e-06 ; 2.872957e-01 -1.264764e-06 9.429321e-01 4.040367e-01 0.004395 0.001132 True md_ensemble 6 322 332 + N_GB1_38 C_GB1_39 1 0.000000e+00 1.670519e-06 ; 2.940352e-01 -1.670519e-06 5.688620e-03 1.133662e-01 0.004395 0.001132 True md_ensemble 5 322 333 N_GB1_38 O_GB1_39 1 0.000000e+00 1.761048e-06 ; 2.953312e-01 -1.761048e-06 9.683952e-03 1.837157e-01 0.004395 0.001132 True md_ensemble 6 322 334 N_GB1_38 N_GB1_40 1 0.000000e+00 8.752940e-07 ; 2.786171e-01 -8.752940e-07 1.487500e-06 5.990539e-02 0.004395 0.001132 True md_ensemble 6 322 335 - N_GB1_38 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 338 + N_GB1_38 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 338 N_GB1_38 N_GB1_41 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 4.877641e-03 0.004395 0.001132 True md_ensemble 7 322 344 - N_GB1_38 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 346 + N_GB1_38 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 346 N_GB1_38 N_GB1_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 8.098475e-04 0.004395 0.001132 True md_ensemble 7 322 349 - N_GB1_38 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 352 - N_GB1_38 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 353 + N_GB1_38 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 352 + N_GB1_38 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 353 N_GB1_38 N_GB1_43 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 2.512851e-04 0.004395 0.001132 True md_ensemble 7 322 359 - N_GB1_38 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 362 + N_GB1_38 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 362 N_GB1_38 N_GB1_44 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 2.003791e-05 0.004395 0.001132 True md_ensemble 7 322 374 - N_GB1_38 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 377 - N_GB1_38 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 379 + N_GB1_38 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 377 + N_GB1_38 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 379 N_GB1_38 N_GB1_45 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 322 382 - N_GB1_38 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 385 + N_GB1_38 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 385 N_GB1_38 N_GB1_46 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 322 395 - N_GB1_38 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 398 + N_GB1_38 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 398 N_GB1_38 N_GB1_47 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 322 404 - N_GB1_38 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 407 + N_GB1_38 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 407 N_GB1_38 N_GB1_48 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 322 413 - N_GB1_38 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 416 + N_GB1_38 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 416 N_GB1_38 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 322 419 - N_GB1_38 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 422 - N_GB1_38 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 424 + N_GB1_38 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 422 + N_GB1_38 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 424 N_GB1_38 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 322 427 - N_GB1_38 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 430 - N_GB1_38 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 431 - N_GB1_38 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 432 - N_GB1_38 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 433 + N_GB1_38 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 430 + N_GB1_38 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 431 + N_GB1_38 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 432 + N_GB1_38 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 433 N_GB1_38 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 2.946629e-04 0.004395 0.001132 True md_ensemble 7 322 434 N_GB1_38 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 322 437 - N_GB1_38 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 440 - N_GB1_38 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 442 + N_GB1_38 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 440 + N_GB1_38 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 442 N_GB1_38 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 322 445 - N_GB1_38 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 448 + N_GB1_38 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 448 N_GB1_38 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 322 457 - N_GB1_38 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 460 - N_GB1_38 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 462 + N_GB1_38 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 460 + N_GB1_38 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 462 N_GB1_38 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 322 465 - N_GB1_38 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 468 - N_GB1_38 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 469 - N_GB1_38 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 470 + N_GB1_38 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 468 + N_GB1_38 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 469 + N_GB1_38 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 470 N_GB1_38 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 322 473 - N_GB1_38 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 476 - N_GB1_38 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 478 + N_GB1_38 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 476 + N_GB1_38 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 478 N_GB1_38 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 322 481 - N_GB1_38 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 484 - N_GB1_38 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 485 + N_GB1_38 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 484 + N_GB1_38 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 322 485 H_GB1_38 H_GB1_38 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 323 323 H_GB1_38 O_GB1_38 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 323 326 H_GB1_38 H_GB1_39 1 0.000000e+00 8.281255e-09 ; 1.889454e-01 -8.281255e-09 9.728215e-01 6.629261e-01 0.004395 0.001132 True md_ensemble 5 323 328 @@ -38928,143 +38928,143 @@ ND2_GB1_37 CG_GB1_56 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e- H_GB1_38 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 323 488 H_GB1_38 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 323 490 H_GB1_38 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 323 491 - CA_GB1_38 C_GB1_38 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 325 + CA_GB1_38 C_GB1_38 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 325 CA_GB1_38 O_GB1_38 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 326 - CA_GB1_38 N_GB1_39 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 327 - CA_GB1_38 CB_GB1_39 1 0.000000e+00 3.181385e-05 ; 3.758775e-01 -3.181385e-05 9.999939e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 324 330 - CA_GB1_38 CG1_GB1_39 1 0.000000e+00 1.782987e-05 ; 3.581712e-01 -1.782987e-05 1.835972e-02 5.661169e-01 0.004395 0.001132 True md_ensemble 5 324 331 - CA_GB1_38 CG2_GB1_39 1 0.000000e+00 9.420981e-06 ; 3.396276e-01 -9.420981e-06 9.973056e-01 8.151126e-01 0.004395 0.001132 True md_ensemble 5 324 332 - CA_GB1_38 C_GB1_39 1 0.000000e+00 6.333556e-06 ; 3.285733e-01 -6.333556e-06 9.999995e-01 9.999356e-01 0.004395 0.001132 True md_ensemble 4 324 333 - CA_GB1_38 O_GB1_39 1 0.000000e+00 2.200398e-06 ; 3.008639e-01 -2.200398e-06 2.884129e-01 3.800664e-01 0.004395 0.001132 True md_ensemble 5 324 334 - CA_GB1_38 N_GB1_40 1 0.000000e+00 4.432792e-06 ; 3.189467e-01 -4.432792e-06 2.069142e-01 4.127611e-01 0.004395 0.001132 True md_ensemble 5 324 335 - CA_GB1_38 CA_GB1_40 1 0.000000e+00 3.757166e-05 ; 3.811243e-01 -3.757166e-05 1.877679e-01 3.687595e-01 0.004395 0.001132 True md_ensemble 6 324 337 - CA_GB1_38 CB_GB1_40 1 0.000000e+00 1.647357e-05 ; 3.558175e-01 -1.647357e-05 2.142524e-02 8.844239e-02 0.004395 0.007860 True md_ensemble 7 324 338 + CA_GB1_38 N_GB1_39 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 327 + CA_GB1_38 CB_GB1_39 1 0.000000e+00 3.181371e-05 ; 3.758774e-01 -3.181371e-05 9.999939e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 324 330 + CA_GB1_38 CG1_GB1_39 1 0.000000e+00 1.782965e-05 ; 3.581709e-01 -1.782965e-05 1.835972e-02 5.661169e-01 0.004395 0.001132 True md_ensemble 5 324 331 + CA_GB1_38 CG2_GB1_39 1 0.000000e+00 9.420867e-06 ; 3.396273e-01 -9.420867e-06 9.973056e-01 8.151126e-01 0.004395 0.001132 True md_ensemble 5 324 332 + CA_GB1_38 C_GB1_39 1 0.000000e+00 6.333450e-06 ; 3.285729e-01 -6.333450e-06 9.999995e-01 9.999356e-01 0.004395 0.001132 True md_ensemble 4 324 333 + CA_GB1_38 O_GB1_39 1 0.000000e+00 2.200390e-06 ; 3.008638e-01 -2.200390e-06 2.884129e-01 3.800664e-01 0.004395 0.001132 True md_ensemble 5 324 334 + CA_GB1_38 N_GB1_40 1 0.000000e+00 4.432733e-06 ; 3.189463e-01 -4.432733e-06 2.069142e-01 4.127611e-01 0.004395 0.001132 True md_ensemble 5 324 335 + CA_GB1_38 CA_GB1_40 1 0.000000e+00 3.757150e-05 ; 3.811242e-01 -3.757150e-05 1.877679e-01 3.687595e-01 0.004395 0.001132 True md_ensemble 6 324 337 + CA_GB1_38 CB_GB1_40 1 0.000000e+00 1.647331e-05 ; 3.558170e-01 -1.647331e-05 2.142524e-02 8.844239e-02 0.004395 0.007860 True md_ensemble 7 324 338 CA_GB1_38 CG_GB1_40 1 5.203922e-03 3.768323e-05 ; 4.398483e-01 1.796608e-01 1.346456e-01 3.458638e-02 0.004395 0.009458 True md_ensemble 7 324 339 CA_GB1_38 OD1_GB1_40 1 1.743468e-03 4.708319e-06 ; 3.731716e-01 1.613995e-01 6.072617e-02 2.222389e-02 0.004395 0.009458 True md_ensemble 7 324 340 CA_GB1_38 OD2_GB1_40 1 1.743468e-03 4.708319e-06 ; 3.731716e-01 1.613995e-01 6.072617e-02 2.222389e-02 0.004395 0.009458 True md_ensemble 7 324 341 - CA_GB1_38 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 342 + CA_GB1_38 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 342 CA_GB1_38 O_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 343 - CA_GB1_38 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 344 - CA_GB1_38 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 347 + CA_GB1_38 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 344 + CA_GB1_38 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 347 CA_GB1_38 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 348 - CA_GB1_38 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 349 - CA_GB1_38 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 354 - CA_GB1_38 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 355 - CA_GB1_38 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 356 - CA_GB1_38 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 357 + CA_GB1_38 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 349 + CA_GB1_38 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 354 + CA_GB1_38 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 355 + CA_GB1_38 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 356 + CA_GB1_38 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 357 CA_GB1_38 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 358 - CA_GB1_38 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 359 - CA_GB1_38 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 366 - CA_GB1_38 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 372 + CA_GB1_38 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 359 + CA_GB1_38 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 366 + CA_GB1_38 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 372 CA_GB1_38 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 373 - CA_GB1_38 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 374 - CA_GB1_38 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 378 - CA_GB1_38 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 380 + CA_GB1_38 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 374 + CA_GB1_38 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 378 + CA_GB1_38 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 380 CA_GB1_38 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 381 - CA_GB1_38 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 382 - CA_GB1_38 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 392 - CA_GB1_38 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 393 + CA_GB1_38 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 382 + CA_GB1_38 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 392 + CA_GB1_38 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 393 CA_GB1_38 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 394 - CA_GB1_38 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 395 - CA_GB1_38 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 399 - CA_GB1_38 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 400 - CA_GB1_38 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 401 - CA_GB1_38 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 402 + CA_GB1_38 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 395 + CA_GB1_38 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 399 + CA_GB1_38 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 400 + CA_GB1_38 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 401 + CA_GB1_38 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 402 CA_GB1_38 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 403 - CA_GB1_38 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 404 - CA_GB1_38 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 408 - CA_GB1_38 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 409 - CA_GB1_38 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 410 - CA_GB1_38 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 411 + CA_GB1_38 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 404 + CA_GB1_38 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 408 + CA_GB1_38 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 409 + CA_GB1_38 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 410 + CA_GB1_38 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 411 CA_GB1_38 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 412 - CA_GB1_38 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 413 - CA_GB1_38 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 417 + CA_GB1_38 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 413 + CA_GB1_38 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 417 CA_GB1_38 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 418 - CA_GB1_38 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 419 - CA_GB1_38 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 423 - CA_GB1_38 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 425 + CA_GB1_38 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 419 + CA_GB1_38 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 423 + CA_GB1_38 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 425 CA_GB1_38 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 426 - CA_GB1_38 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 427 - CA_GB1_38 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 434 - CA_GB1_38 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 435 + CA_GB1_38 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 427 + CA_GB1_38 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 434 + CA_GB1_38 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 435 CA_GB1_38 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 436 - CA_GB1_38 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 437 - CA_GB1_38 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 441 - CA_GB1_38 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 443 + CA_GB1_38 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 437 + CA_GB1_38 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 441 + CA_GB1_38 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 443 CA_GB1_38 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 444 - CA_GB1_38 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 445 - CA_GB1_38 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 455 + CA_GB1_38 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 445 + CA_GB1_38 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 455 CA_GB1_38 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 456 - CA_GB1_38 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 457 - CA_GB1_38 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 461 - CA_GB1_38 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 463 + CA_GB1_38 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 457 + CA_GB1_38 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 461 + CA_GB1_38 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 463 CA_GB1_38 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 464 - CA_GB1_38 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 465 - CA_GB1_38 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 471 + CA_GB1_38 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 465 + CA_GB1_38 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 471 CA_GB1_38 O_GB1_54 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 472 - CA_GB1_38 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 473 - CA_GB1_38 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 477 - CA_GB1_38 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 479 + CA_GB1_38 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 473 + CA_GB1_38 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 477 + CA_GB1_38 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 479 CA_GB1_38 O_GB1_55 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 480 - CA_GB1_38 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 481 - CA_GB1_38 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 486 - CA_GB1_38 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 487 - CA_GB1_38 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 488 - CA_GB1_38 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 489 - CA_GB1_38 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 490 - CA_GB1_38 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 491 - C_GB1_38 CB_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 330 - C_GB1_38 CG1_GB1_39 1 0.000000e+00 4.687029e-06 ; 3.204324e-01 -4.687029e-06 9.971983e-01 9.889280e-01 0.004395 0.001132 True md_ensemble 4 325 331 - C_GB1_38 CG2_GB1_39 1 0.000000e+00 4.714519e-06 ; 3.205886e-01 -4.714519e-06 9.999975e-01 9.975438e-01 0.004395 0.001132 True md_ensemble 4 325 332 - C_GB1_38 O_GB1_39 1 0.000000e+00 7.520944e-07 ; 2.751172e-01 -7.520944e-07 9.941472e-01 9.036350e-01 0.004395 0.001132 True md_ensemble 4 325 334 - C_GB1_38 N_GB1_40 1 0.000000e+00 1.462494e-06 ; 2.907945e-01 -1.462494e-06 9.999404e-01 9.696683e-01 0.004395 0.001132 True md_ensemble 4 325 335 - C_GB1_38 CA_GB1_40 1 0.000000e+00 1.109197e-05 ; 3.442805e-01 -1.109197e-05 9.823966e-01 8.322343e-01 0.004395 0.001132 True md_ensemble 5 325 337 - C_GB1_38 CB_GB1_40 1 0.000000e+00 5.234388e-06 ; 3.233954e-01 -5.234388e-06 3.562998e-01 1.827002e-01 0.004395 0.001132 True md_ensemble 6 325 338 + CA_GB1_38 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 481 + CA_GB1_38 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 486 + CA_GB1_38 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 487 + CA_GB1_38 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 488 + CA_GB1_38 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 489 + CA_GB1_38 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 490 + CA_GB1_38 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 324 491 + C_GB1_38 CB_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 330 + C_GB1_38 CG1_GB1_39 1 0.000000e+00 4.686968e-06 ; 3.204321e-01 -4.686968e-06 9.971983e-01 9.889280e-01 0.004395 0.001132 True md_ensemble 4 325 331 + C_GB1_38 CG2_GB1_39 1 0.000000e+00 4.714458e-06 ; 3.205883e-01 -4.714458e-06 9.999975e-01 9.975438e-01 0.004395 0.001132 True md_ensemble 4 325 332 + C_GB1_38 O_GB1_39 1 0.000000e+00 7.520910e-07 ; 2.751171e-01 -7.520910e-07 9.941472e-01 9.036350e-01 0.004395 0.001132 True md_ensemble 4 325 334 + C_GB1_38 N_GB1_40 1 0.000000e+00 1.462473e-06 ; 2.907941e-01 -1.462473e-06 9.999404e-01 9.696683e-01 0.004395 0.001132 True md_ensemble 4 325 335 + C_GB1_38 CA_GB1_40 1 0.000000e+00 1.109191e-05 ; 3.442803e-01 -1.109191e-05 9.823966e-01 8.322343e-01 0.004395 0.001132 True md_ensemble 5 325 337 + C_GB1_38 CB_GB1_40 1 0.000000e+00 5.234300e-06 ; 3.233949e-01 -5.234300e-06 3.562998e-01 1.827002e-01 0.004395 0.001132 True md_ensemble 6 325 338 C_GB1_38 CG_GB1_40 1 3.149437e-03 1.116140e-05 ; 3.904640e-01 2.221708e-01 4.632923e-01 6.393923e-02 0.004395 0.011584 True md_ensemble 7 325 339 C_GB1_38 OD1_GB1_40 1 1.157193e-03 1.549667e-06 ; 3.320005e-01 2.160295e-01 1.874361e-01 2.913883e-02 0.004395 0.011584 True md_ensemble 7 325 340 C_GB1_38 OD2_GB1_40 1 1.157193e-03 1.549667e-06 ; 3.320005e-01 2.160295e-01 1.874361e-01 2.913883e-02 0.004395 0.011584 True md_ensemble 7 325 341 C_GB1_38 C_GB1_40 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 5.000000e-07 1.372764e-01 0.004395 0.001132 True md_ensemble 6 325 342 - C_GB1_38 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 346 - C_GB1_38 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 352 - C_GB1_38 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 353 - C_GB1_38 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 362 - C_GB1_38 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 377 - C_GB1_38 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 379 - C_GB1_38 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 385 - C_GB1_38 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 398 - C_GB1_38 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 407 - C_GB1_38 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 416 - C_GB1_38 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 422 - C_GB1_38 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 424 - C_GB1_38 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 430 - C_GB1_38 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 431 - C_GB1_38 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 432 - C_GB1_38 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 433 - C_GB1_38 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 440 - C_GB1_38 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 442 - C_GB1_38 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 448 - C_GB1_38 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 460 - C_GB1_38 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 462 - C_GB1_38 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 468 - C_GB1_38 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 469 - C_GB1_38 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 470 - C_GB1_38 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 476 - C_GB1_38 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 478 - C_GB1_38 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 484 - C_GB1_38 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 485 + C_GB1_38 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 346 + C_GB1_38 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 352 + C_GB1_38 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 353 + C_GB1_38 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 362 + C_GB1_38 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 377 + C_GB1_38 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 379 + C_GB1_38 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 385 + C_GB1_38 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 398 + C_GB1_38 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 407 + C_GB1_38 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 416 + C_GB1_38 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 422 + C_GB1_38 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 424 + C_GB1_38 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 430 + C_GB1_38 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 431 + C_GB1_38 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 432 + C_GB1_38 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 433 + C_GB1_38 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 440 + C_GB1_38 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 442 + C_GB1_38 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 448 + C_GB1_38 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 460 + C_GB1_38 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 462 + C_GB1_38 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 468 + C_GB1_38 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 469 + C_GB1_38 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 470 + C_GB1_38 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 476 + C_GB1_38 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 478 + C_GB1_38 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 484 + C_GB1_38 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 325 485 C_GB1_38 CD_GB1_56 1 4.725294e-03 2.616222e-05 ; 4.206049e-01 2.133649e-01 7.076352e-02 3.100204e-04 0.004395 0.011584 True md_ensemble 7 325 486 C_GB1_38 OE1_GB1_56 1 2.211624e-03 5.127986e-06 ; 3.638083e-01 2.384601e-01 1.150959e-01 3.072725e-04 0.004395 0.011584 True md_ensemble 7 325 487 C_GB1_38 OE2_GB1_56 1 2.211624e-03 5.127986e-06 ; 3.638083e-01 2.384601e-01 1.150959e-01 3.072725e-04 0.004395 0.011584 True md_ensemble 7 325 488 O_GB1_38 O_GB1_38 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 326 326 O_GB1_38 H_GB1_39 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 326 328 - O_GB1_38 CB_GB1_39 1 0.000000e+00 4.153495e-06 ; 3.172216e-01 -4.153495e-06 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 326 330 + O_GB1_38 CB_GB1_39 1 0.000000e+00 4.153528e-06 ; 3.172218e-01 -4.153528e-06 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 326 330 O_GB1_38 CG1_GB1_39 1 0.000000e+00 2.054643e-06 ; 2.991505e-01 -2.054643e-06 4.621692e-02 4.123437e-01 0.004395 0.001132 True md_ensemble 5 326 331 - O_GB1_38 CG2_GB1_39 1 0.000000e+00 7.873823e-07 ; 2.761704e-01 -7.873823e-07 9.225742e-01 4.461026e-01 0.004395 0.001132 True md_ensemble 5 326 332 - O_GB1_38 C_GB1_39 1 0.000000e+00 8.232227e-07 ; 2.771967e-01 -8.232227e-07 1.000000e+00 9.955013e-01 0.004395 0.001132 True md_ensemble 4 326 333 + O_GB1_38 CG2_GB1_39 1 0.000000e+00 7.873824e-07 ; 2.761704e-01 -7.873824e-07 9.225742e-01 4.461026e-01 0.004395 0.001132 True md_ensemble 5 326 332 + O_GB1_38 C_GB1_39 1 0.000000e+00 8.232189e-07 ; 2.771966e-01 -8.232189e-07 1.000000e+00 9.955013e-01 0.004395 0.001132 True md_ensemble 4 326 333 O_GB1_38 O_GB1_39 1 0.000000e+00 1.353334e-06 ; 2.889208e-01 -1.353334e-06 9.096886e-01 8.119110e-01 0.004395 0.001132 True md_ensemble 5 326 334 O_GB1_38 N_GB1_40 1 0.000000e+00 1.338035e-06 ; 2.886472e-01 -1.338035e-06 9.986873e-01 8.907108e-01 0.004395 0.001132 True md_ensemble 5 326 335 - O_GB1_38 H_GB1_40 1 0.000000e+00 1.197361e-08 ; 1.948410e-01 -1.197361e-08 3.609756e-01 1.326598e-01 0.004395 0.001132 True md_ensemble 6 326 336 - O_GB1_38 CA_GB1_40 1 0.000000e+00 2.968118e-06 ; 3.084621e-01 -2.968118e-06 7.848621e-01 4.994694e-01 0.004395 0.001132 True md_ensemble 6 326 337 + O_GB1_38 H_GB1_40 1 0.000000e+00 1.197380e-08 ; 1.948413e-01 -1.197380e-08 3.609756e-01 1.326598e-01 0.004395 0.001132 True md_ensemble 6 326 336 + O_GB1_38 CA_GB1_40 1 0.000000e+00 2.968141e-06 ; 3.084623e-01 -2.968141e-06 7.848621e-01 4.994694e-01 0.004395 0.001132 True md_ensemble 6 326 337 O_GB1_38 CB_GB1_40 1 2.353681e-03 7.780987e-06 ; 3.859649e-01 1.779920e-01 4.262715e-01 9.400518e-02 0.004395 0.007862 True md_ensemble 7 326 338 O_GB1_38 CG_GB1_40 1 8.593435e-04 8.619809e-07 ; 3.163893e-01 2.141785e-01 5.022381e-01 8.092981e-02 0.004395 0.011584 True md_ensemble 7 326 339 O_GB1_38 OD1_GB1_40 1 1.501439e-04 7.402858e-08 ; 2.810705e-01 7.612998e-02 5.524494e-01 1.263084e-01 0.004395 0.001132 True md_ensemble 7 326 340 @@ -39140,66 +39140,66 @@ ND2_GB1_37 CG_GB1_56 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e- O_GB1_38 OE2_GB1_56 1 6.782073e-04 3.562283e-07 ; 2.840497e-01 3.228022e-01 5.902687e-01 8.255154e-04 0.004395 0.001132 True md_ensemble 7 326 488 O_GB1_38 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 326 490 O_GB1_38 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 326 491 - N_GB1_39 CB_GB1_39 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 330 - N_GB1_39 CG1_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 331 - N_GB1_39 CG2_GB1_39 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 332 - N_GB1_39 CA_GB1_40 1 0.000000e+00 7.574856e-06 ; 3.335105e-01 -7.574856e-06 1.000000e+00 9.999817e-01 0.004395 0.001132 True md_ensemble 4 327 337 - N_GB1_39 CB_GB1_40 1 0.000000e+00 4.305909e-06 ; 3.181757e-01 -4.305909e-06 1.059471e-01 2.772783e-01 0.004395 0.001132 True md_ensemble 5 327 338 - N_GB1_39 CG_GB1_40 1 0.000000e+00 1.394554e-06 ; 2.896441e-01 -1.394554e-06 1.145872e-01 3.926668e-02 0.004395 0.001132 True md_ensemble 6 327 339 + N_GB1_39 CB_GB1_39 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 330 + N_GB1_39 CG1_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 331 + N_GB1_39 CG2_GB1_39 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 332 + N_GB1_39 CA_GB1_40 1 0.000000e+00 7.574844e-06 ; 3.335105e-01 -7.574844e-06 1.000000e+00 9.999817e-01 0.004395 0.001132 True md_ensemble 4 327 337 + N_GB1_39 CB_GB1_40 1 0.000000e+00 4.305852e-06 ; 3.181754e-01 -4.305852e-06 1.059471e-01 2.772783e-01 0.004395 0.001132 True md_ensemble 5 327 338 + N_GB1_39 CG_GB1_40 1 0.000000e+00 1.394535e-06 ; 2.896437e-01 -1.394535e-06 1.145872e-01 3.926668e-02 0.004395 0.001132 True md_ensemble 6 327 339 N_GB1_39 OD1_GB1_40 1 1.785851e-03 4.895069e-06 ; 3.740982e-01 1.628815e-01 1.447468e-01 6.304206e-02 0.004395 0.011584 True md_ensemble 7 327 340 N_GB1_39 OD2_GB1_40 1 1.785851e-03 4.895069e-06 ; 3.740982e-01 1.628815e-01 1.447468e-01 6.304206e-02 0.004395 0.011584 True md_ensemble 7 327 341 N_GB1_39 C_GB1_40 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 1.952500e-06 9.118343e-02 0.004395 0.001132 True md_ensemble 5 327 342 N_GB1_39 O_GB1_40 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 1.834250e-05 1.176687e-01 0.004395 0.001132 True md_ensemble 6 327 343 N_GB1_39 N_GB1_41 1 0.000000e+00 8.752940e-07 ; 2.786171e-01 -8.752940e-07 0.000000e+00 7.815946e-02 0.004395 0.001132 True md_ensemble 6 327 344 - N_GB1_39 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 346 + N_GB1_39 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 346 N_GB1_39 N_GB1_42 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 7.306521e-04 0.004395 0.001132 True md_ensemble 7 327 349 - N_GB1_39 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 352 - N_GB1_39 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 353 + N_GB1_39 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 352 + N_GB1_39 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 353 N_GB1_39 N_GB1_43 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.064836e-04 0.004395 0.001132 True md_ensemble 7 327 359 - N_GB1_39 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 362 + N_GB1_39 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 362 N_GB1_39 N_GB1_44 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 8.607592e-05 0.004395 0.001132 True md_ensemble 7 327 374 - N_GB1_39 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 377 - N_GB1_39 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 379 + N_GB1_39 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 377 + N_GB1_39 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 379 N_GB1_39 N_GB1_45 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 327 382 - N_GB1_39 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 385 + N_GB1_39 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 385 N_GB1_39 N_GB1_46 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 327 395 - N_GB1_39 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 398 + N_GB1_39 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 398 N_GB1_39 N_GB1_47 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 327 404 - N_GB1_39 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 407 + N_GB1_39 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 407 N_GB1_39 N_GB1_48 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 327 413 - N_GB1_39 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 416 + N_GB1_39 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 416 N_GB1_39 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 327 419 - N_GB1_39 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 422 - N_GB1_39 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 424 + N_GB1_39 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 422 + N_GB1_39 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 424 N_GB1_39 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 327 427 - N_GB1_39 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 430 - N_GB1_39 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 431 - N_GB1_39 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 432 - N_GB1_39 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 433 + N_GB1_39 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 430 + N_GB1_39 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 431 + N_GB1_39 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 432 + N_GB1_39 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 433 N_GB1_39 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 5.743841e-07 0.004395 0.001132 True md_ensemble 7 327 434 N_GB1_39 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 327 437 - N_GB1_39 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 440 - N_GB1_39 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 442 + N_GB1_39 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 440 + N_GB1_39 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 442 N_GB1_39 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 327 445 - N_GB1_39 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 448 + N_GB1_39 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 448 N_GB1_39 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 327 457 - N_GB1_39 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 460 - N_GB1_39 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 462 + N_GB1_39 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 460 + N_GB1_39 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 462 N_GB1_39 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 327 465 - N_GB1_39 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 468 - N_GB1_39 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 469 - N_GB1_39 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 470 + N_GB1_39 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 468 + N_GB1_39 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 469 + N_GB1_39 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 470 N_GB1_39 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 327 473 - N_GB1_39 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 476 - N_GB1_39 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 478 + N_GB1_39 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 476 + N_GB1_39 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 478 N_GB1_39 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 327 481 - N_GB1_39 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 484 - N_GB1_39 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 485 + N_GB1_39 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 484 + N_GB1_39 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 327 485 N_GB1_39 CD_GB1_56 1 3.200260e-03 1.535093e-05 ; 4.106687e-01 1.667923e-01 2.869206e-02 0.000000e+00 0.004395 0.011584 True md_ensemble 7 327 486 N_GB1_39 OE1_GB1_56 1 3.929457e-03 1.337218e-05 ; 3.878332e-01 2.886709e-01 3.046021e-01 6.607208e-06 0.004395 0.011584 True md_ensemble 7 327 487 N_GB1_39 OE2_GB1_56 1 3.929457e-03 1.337218e-05 ; 3.878332e-01 2.886709e-01 3.046021e-01 6.607208e-06 0.004395 0.011584 True md_ensemble 7 327 488 H_GB1_39 H_GB1_39 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 328 328 - H_GB1_39 O_GB1_39 1 0.000000e+00 1.118606e-08 ; 1.937395e-01 -1.118606e-08 7.269772e-01 4.479049e-01 0.004395 0.001132 True md_ensemble 4 328 334 + H_GB1_39 O_GB1_39 1 0.000000e+00 1.118624e-08 ; 1.937397e-01 -1.118624e-08 7.269772e-01 4.479049e-01 0.004395 0.001132 True md_ensemble 4 328 334 H_GB1_39 H_GB1_40 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 328 336 H_GB1_39 OD1_GB1_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 328 340 H_GB1_39 OD2_GB1_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 328 341 @@ -39251,14 +39251,14 @@ ND2_GB1_37 CG_GB1_56 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e- H_GB1_39 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 328 488 H_GB1_39 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 328 490 H_GB1_39 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 328 491 - CA_GB1_39 CB_GB1_40 1 0.000000e+00 3.181371e-05 ; 3.758774e-01 -3.181371e-05 9.999942e-01 9.999961e-01 0.004395 0.001132 True md_ensemble 4 329 338 - CA_GB1_39 CG_GB1_40 1 0.000000e+00 1.114126e-05 ; 3.444077e-01 -1.114126e-05 8.448126e-01 6.984271e-01 0.004395 0.001132 True md_ensemble 5 329 339 - CA_GB1_39 OD1_GB1_40 1 0.000000e+00 2.902079e-06 ; 3.078842e-01 -2.902079e-06 3.636018e-01 2.267483e-01 0.004395 0.001132 True md_ensemble 6 329 340 - CA_GB1_39 OD2_GB1_40 1 0.000000e+00 2.902079e-06 ; 3.078842e-01 -2.902079e-06 3.636018e-01 2.267483e-01 0.004395 0.001132 True md_ensemble 6 329 341 - CA_GB1_39 C_GB1_40 1 0.000000e+00 1.305192e-05 ; 3.489805e-01 -1.305192e-05 9.999958e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 329 342 - CA_GB1_39 O_GB1_40 1 0.000000e+00 5.111771e-06 ; 3.227572e-01 -5.111771e-06 2.882275e-01 5.189432e-01 0.004395 0.001132 True md_ensemble 5 329 343 - CA_GB1_39 N_GB1_41 1 0.000000e+00 5.226402e-06 ; 3.233542e-01 -5.226402e-06 8.778138e-01 5.677683e-01 0.004395 0.001132 True md_ensemble 5 329 344 - CA_GB1_39 CA_GB1_41 1 0.000000e+00 2.046575e-05 ; 3.623103e-01 -2.046575e-05 7.746333e-01 4.179343e-01 0.004395 0.001132 True md_ensemble 6 329 346 + CA_GB1_39 CB_GB1_40 1 0.000000e+00 3.181358e-05 ; 3.758773e-01 -3.181358e-05 9.999942e-01 9.999961e-01 0.004395 0.001132 True md_ensemble 4 329 338 + CA_GB1_39 CG_GB1_40 1 0.000000e+00 1.114120e-05 ; 3.444076e-01 -1.114120e-05 8.448126e-01 6.984271e-01 0.004395 0.001132 True md_ensemble 5 329 339 + CA_GB1_39 OD1_GB1_40 1 0.000000e+00 2.902103e-06 ; 3.078844e-01 -2.902103e-06 3.636018e-01 2.267483e-01 0.004395 0.001132 True md_ensemble 6 329 340 + CA_GB1_39 OD2_GB1_40 1 0.000000e+00 2.902103e-06 ; 3.078844e-01 -2.902103e-06 3.636018e-01 2.267483e-01 0.004395 0.001132 True md_ensemble 6 329 341 + CA_GB1_39 C_GB1_40 1 0.000000e+00 1.305185e-05 ; 3.489804e-01 -1.305185e-05 9.999958e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 329 342 + CA_GB1_39 O_GB1_40 1 0.000000e+00 5.111812e-06 ; 3.227574e-01 -5.111812e-06 2.882275e-01 5.189432e-01 0.004395 0.001132 True md_ensemble 5 329 343 + CA_GB1_39 N_GB1_41 1 0.000000e+00 5.226394e-06 ; 3.233542e-01 -5.226394e-06 8.778138e-01 5.677683e-01 0.004395 0.001132 True md_ensemble 5 329 344 + CA_GB1_39 CA_GB1_41 1 0.000000e+00 2.046567e-05 ; 3.623101e-01 -2.046567e-05 7.746333e-01 4.179343e-01 0.004395 0.001132 True md_ensemble 6 329 346 CA_GB1_39 CB_GB1_54 1 3.007312e-02 9.005077e-04 ; 5.572518e-01 2.510786e-01 1.469880e-01 1.505272e-03 0.004395 0.006476 True md_ensemble 7 329 468 CA_GB1_39 CG1_GB1_54 1 1.847288e-02 2.746075e-04 ; 4.958644e-01 3.106683e-01 4.665594e-01 1.242159e-03 0.004395 0.010759 True md_ensemble 7 329 469 CA_GB1_39 CG2_GB1_54 1 1.574141e-02 2.535493e-04 ; 5.025390e-01 2.443233e-01 1.289484e-01 1.103604e-03 0.004395 0.010759 True md_ensemble 7 329 470 @@ -39268,163 +39268,163 @@ ND2_GB1_37 CG_GB1_56 1 0.000000e+00 6.331016e-06 ; 5.640294e-06 -6.331016e- CA_GB1_39 CD_GB1_56 1 3.315111e-03 7.921500e-06 ; 3.656382e-01 3.468396e-01 9.405806e-01 5.700071e-04 0.004395 0.008482 True md_ensemble 7 329 486 CA_GB1_39 OE1_GB1_56 1 1.275649e-03 1.223021e-06 ; 3.140151e-01 3.326351e-01 7.142049e-01 6.000431e-04 0.004395 0.008483 True md_ensemble 7 329 487 CA_GB1_39 OE2_GB1_56 1 1.275649e-03 1.223021e-06 ; 3.140151e-01 3.326351e-01 7.142049e-01 6.000431e-04 0.004395 0.008483 True md_ensemble 7 329 488 - CB_GB1_39 C_GB1_39 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 333 + CB_GB1_39 C_GB1_39 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 333 CB_GB1_39 O_GB1_39 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 334 - CB_GB1_39 N_GB1_40 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 335 - CB_GB1_39 CA_GB1_40 1 0.000000e+00 6.555643e-05 ; 3.992206e-01 -6.555643e-05 9.999894e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 330 337 - CB_GB1_39 CB_GB1_40 1 0.000000e+00 3.283672e-05 ; 3.768701e-01 -3.283672e-05 8.804131e-01 9.125712e-01 0.004395 0.001132 True md_ensemble 5 330 338 - CB_GB1_39 CG_GB1_40 1 0.000000e+00 1.572678e-05 ; 3.544446e-01 -1.572678e-05 4.439037e-03 2.093843e-01 0.004395 0.001132 True md_ensemble 6 330 339 - CB_GB1_39 OD1_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 340 - CB_GB1_39 OD2_GB1_40 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 341 - CB_GB1_39 C_GB1_40 1 0.000000e+00 9.557902e-06 ; 3.400362e-01 -9.557902e-06 9.712586e-01 7.035602e-01 0.004395 0.001132 True md_ensemble 5 330 342 - CB_GB1_39 O_GB1_40 1 0.000000e+00 4.346542e-06 ; 3.184249e-01 -4.346542e-06 1.987758e-01 2.452540e-01 0.004395 0.001132 True md_ensemble 6 330 343 - CB_GB1_39 N_GB1_41 1 0.000000e+00 3.830364e-06 ; 3.150879e-01 -3.830364e-06 7.719526e-01 2.776115e-01 0.004395 0.001132 True md_ensemble 6 330 344 + CB_GB1_39 N_GB1_40 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 335 + CB_GB1_39 CA_GB1_40 1 0.000000e+00 6.555692e-05 ; 3.992208e-01 -6.555692e-05 9.999894e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 330 337 + CB_GB1_39 CB_GB1_40 1 0.000000e+00 3.283658e-05 ; 3.768699e-01 -3.283658e-05 8.804131e-01 9.125712e-01 0.004395 0.001132 True md_ensemble 5 330 338 + CB_GB1_39 CG_GB1_40 1 0.000000e+00 1.572670e-05 ; 3.544444e-01 -1.572670e-05 4.439037e-03 2.093843e-01 0.004395 0.001132 True md_ensemble 6 330 339 + CB_GB1_39 OD1_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 340 + CB_GB1_39 OD2_GB1_40 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 341 + CB_GB1_39 C_GB1_40 1 0.000000e+00 9.557852e-06 ; 3.400361e-01 -9.557852e-06 9.712586e-01 7.035602e-01 0.004395 0.001132 True md_ensemble 5 330 342 + CB_GB1_39 O_GB1_40 1 0.000000e+00 4.346576e-06 ; 3.184251e-01 -4.346576e-06 1.987758e-01 2.452540e-01 0.004395 0.001132 True md_ensemble 6 330 343 + CB_GB1_39 N_GB1_41 1 0.000000e+00 3.830358e-06 ; 3.150878e-01 -3.830358e-06 7.719526e-01 2.776115e-01 0.004395 0.001132 True md_ensemble 6 330 344 CB_GB1_39 CA_GB1_41 1 9.323888e-03 1.441876e-04 ; 4.991394e-01 1.507322e-01 7.123277e-01 2.412012e-01 0.004395 0.007117 True md_ensemble 7 330 346 - CB_GB1_39 C_GB1_41 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 347 + CB_GB1_39 C_GB1_41 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 347 CB_GB1_39 O_GB1_41 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 6.865375e-04 3.575380e-02 0.004395 0.007862 True md_ensemble 7 330 348 - CB_GB1_39 N_GB1_42 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 349 - CB_GB1_39 CD_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 354 - CB_GB1_39 OE1_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 355 - CB_GB1_39 OE2_GB1_42 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 356 - CB_GB1_39 C_GB1_42 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 357 + CB_GB1_39 N_GB1_42 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 349 + CB_GB1_39 CD_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 354 + CB_GB1_39 OE1_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 355 + CB_GB1_39 OE2_GB1_42 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 356 + CB_GB1_39 C_GB1_42 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 357 CB_GB1_39 O_GB1_42 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.533840e-02 0.004395 0.007862 True md_ensemble 7 330 358 - CB_GB1_39 N_GB1_43 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 359 - CB_GB1_39 NE1_GB1_43 1 0.000000e+00 9.937288e-06 ; 8.853117e-06 -9.937288e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 366 - CB_GB1_39 CZ2_GB1_43 1 0.000000e+00 1.340546e-05 ; 3.497587e-01 -1.340546e-05 5.689720e-03 3.278139e-02 0.004395 0.010759 True md_ensemble 7 330 369 - CB_GB1_39 C_GB1_43 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 372 + CB_GB1_39 N_GB1_43 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 359 + CB_GB1_39 NE1_GB1_43 1 0.000000e+00 9.937231e-06 ; 8.853066e-06 -9.937231e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 366 + CB_GB1_39 CZ2_GB1_43 1 0.000000e+00 1.340539e-05 ; 3.497585e-01 -1.340539e-05 5.689720e-03 3.278139e-02 0.004395 0.010759 True md_ensemble 7 330 369 + CB_GB1_39 C_GB1_43 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 372 CB_GB1_39 O_GB1_43 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.359269e-02 0.004395 0.007862 True md_ensemble 7 330 373 - CB_GB1_39 N_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 374 - CB_GB1_39 OG1_GB1_44 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 378 - CB_GB1_39 C_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 380 + CB_GB1_39 N_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 374 + CB_GB1_39 OG1_GB1_44 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 378 + CB_GB1_39 C_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 380 CB_GB1_39 O_GB1_44 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 4.933372e-03 0.004395 0.007862 True md_ensemble 7 330 381 - CB_GB1_39 N_GB1_45 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 382 - CB_GB1_39 OH_GB1_45 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 392 - CB_GB1_39 C_GB1_45 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 393 + CB_GB1_39 N_GB1_45 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 382 + CB_GB1_39 OH_GB1_45 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 392 + CB_GB1_39 C_GB1_45 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 393 CB_GB1_39 O_GB1_45 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.480012e-03 0.004395 0.007862 True md_ensemble 7 330 394 - CB_GB1_39 N_GB1_46 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 395 - CB_GB1_39 CG_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 399 - CB_GB1_39 OD1_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 400 - CB_GB1_39 OD2_GB1_46 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 401 - CB_GB1_39 C_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 402 + CB_GB1_39 N_GB1_46 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 395 + CB_GB1_39 CG_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 399 + CB_GB1_39 OD1_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 400 + CB_GB1_39 OD2_GB1_46 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 401 + CB_GB1_39 C_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 402 CB_GB1_39 O_GB1_46 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.684141e-03 0.004395 0.007862 True md_ensemble 7 330 403 - CB_GB1_39 N_GB1_47 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 404 - CB_GB1_39 CG_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 408 - CB_GB1_39 OD1_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 409 - CB_GB1_39 OD2_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 410 - CB_GB1_39 C_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 411 + CB_GB1_39 N_GB1_47 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 404 + CB_GB1_39 CG_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 408 + CB_GB1_39 OD1_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 409 + CB_GB1_39 OD2_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 410 + CB_GB1_39 C_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 411 CB_GB1_39 O_GB1_47 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.165971e-03 0.004395 0.007862 True md_ensemble 7 330 412 - CB_GB1_39 N_GB1_48 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 413 - CB_GB1_39 C_GB1_48 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 417 + CB_GB1_39 N_GB1_48 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 413 + CB_GB1_39 C_GB1_48 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 417 CB_GB1_39 O_GB1_48 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 5.849714e-04 0.004395 0.007862 True md_ensemble 7 330 418 - CB_GB1_39 N_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 419 - CB_GB1_39 OG1_GB1_49 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 423 - CB_GB1_39 C_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 425 + CB_GB1_39 N_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 419 + CB_GB1_39 OG1_GB1_49 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 423 + CB_GB1_39 C_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 425 CB_GB1_39 O_GB1_49 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 7.196121e-04 0.004395 0.007862 True md_ensemble 7 330 426 - CB_GB1_39 N_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 427 - CB_GB1_39 NZ_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 434 - CB_GB1_39 C_GB1_50 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 435 + CB_GB1_39 N_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 427 + CB_GB1_39 NZ_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 434 + CB_GB1_39 C_GB1_50 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 435 CB_GB1_39 O_GB1_50 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 4.496216e-04 0.004395 0.007862 True md_ensemble 7 330 436 - CB_GB1_39 N_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 437 - CB_GB1_39 OG1_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 441 - CB_GB1_39 C_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 443 + CB_GB1_39 N_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 437 + CB_GB1_39 OG1_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 441 + CB_GB1_39 C_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 443 CB_GB1_39 O_GB1_51 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 5.278779e-04 0.004395 0.007862 True md_ensemble 7 330 444 - CB_GB1_39 N_GB1_52 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 445 - CB_GB1_39 C_GB1_52 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 455 + CB_GB1_39 N_GB1_52 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 445 + CB_GB1_39 C_GB1_52 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 455 CB_GB1_39 O_GB1_52 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 7.942209e-04 0.004395 0.007862 True md_ensemble 7 330 456 - CB_GB1_39 N_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 457 - CB_GB1_39 OG1_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 461 - CB_GB1_39 C_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 463 + CB_GB1_39 N_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 457 + CB_GB1_39 OG1_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 461 + CB_GB1_39 C_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 463 CB_GB1_39 O_GB1_53 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 6.881678e-04 0.004395 0.007862 True md_ensemble 7 330 464 - CB_GB1_39 N_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 465 + CB_GB1_39 N_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 465 CB_GB1_39 CA_GB1_54 1 2.936896e-02 8.987976e-04 ; 5.592795e-01 2.399138e-01 1.183851e-01 1.414166e-03 0.004395 0.006476 True md_ensemble 7 330 467 CB_GB1_39 CB_GB1_54 1 2.160279e-02 3.381538e-04 ; 5.001505e-01 3.450209e-01 9.080008e-01 2.332824e-03 0.004395 0.006476 True md_ensemble 7 330 468 CB_GB1_39 CG1_GB1_54 1 8.576066e-03 5.278436e-05 ; 4.280911e-01 3.483461e-01 9.684512e-01 2.179496e-03 0.004395 0.010759 True md_ensemble 7 330 469 CB_GB1_39 CG2_GB1_54 1 9.359132e-03 7.625433e-05 ; 4.485782e-01 2.871750e-01 2.958971e-01 1.870260e-03 0.004395 0.010759 True md_ensemble 7 330 470 CB_GB1_39 C_GB1_54 1 6.169621e-03 8.641652e-05 ; 4.909716e-01 1.101185e-01 9.564965e-03 3.420711e-04 0.004395 0.001132 True md_ensemble 7 330 471 CB_GB1_39 O_GB1_54 1 4.091492e-03 2.957561e-05 ; 4.397191e-01 1.415043e-01 1.757473e-02 2.907416e-04 0.004395 0.007862 True md_ensemble 7 330 472 - CB_GB1_39 N_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 473 + CB_GB1_39 N_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 473 CB_GB1_39 CA_GB1_55 1 1.180972e-02 3.746477e-04 ; 5.626400e-01 9.306712e-02 6.872985e-03 1.439475e-03 0.004395 0.006476 True md_ensemble 7 330 475 - CB_GB1_39 OG1_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 477 - CB_GB1_39 C_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 479 + CB_GB1_39 OG1_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 477 + CB_GB1_39 C_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 479 CB_GB1_39 O_GB1_55 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 5.850000e-07 7.002769e-04 0.004395 0.007862 True md_ensemble 7 330 480 - CB_GB1_39 N_GB1_56 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 481 + CB_GB1_39 N_GB1_56 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 481 CB_GB1_39 CA_GB1_56 1 2.814781e-02 7.470902e-04 ; 5.461619e-01 2.651284e-01 1.929982e-01 1.920034e-03 0.004395 0.006476 True md_ensemble 7 330 483 CB_GB1_39 CB_GB1_56 1 1.393325e-02 1.568052e-04 ; 4.733888e-01 3.095169e-01 4.562619e-01 9.857113e-04 0.004395 0.007117 True md_ensemble 7 330 484 CB_GB1_39 CG_GB1_56 1 1.006159e-02 7.356236e-05 ; 4.405530e-01 3.440472e-01 8.910234e-01 1.461428e-03 0.004395 0.007117 True md_ensemble 7 330 485 CB_GB1_39 CD_GB1_56 1 6.170010e-03 2.766826e-05 ; 4.060841e-01 3.439774e-01 8.898199e-01 1.124401e-03 0.004395 0.001132 True md_ensemble 7 330 486 CB_GB1_39 OE1_GB1_56 1 3.164053e-03 7.701671e-06 ; 3.667670e-01 3.249694e-01 6.155917e-01 1.019839e-03 0.004395 0.001132 True md_ensemble 7 330 487 CB_GB1_39 OE2_GB1_56 1 3.164053e-03 7.701671e-06 ; 3.667670e-01 3.249694e-01 6.155917e-01 1.019839e-03 0.004395 0.001132 True md_ensemble 7 330 488 - CB_GB1_39 C_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 489 - CB_GB1_39 O1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 490 - CB_GB1_39 O2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 491 -CG1_GB1_39 C_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 333 + CB_GB1_39 C_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 489 + CB_GB1_39 O1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 490 + CB_GB1_39 O2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 330 491 +CG1_GB1_39 C_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 333 CG1_GB1_39 O_GB1_39 1 0.000000e+00 1.354189e-06 ; 2.889360e-01 -1.354189e-06 9.977153e-01 8.981121e-01 0.004395 0.001132 True md_ensemble 4 331 334 -CG1_GB1_39 N_GB1_40 1 0.000000e+00 2.661314e-06 ; 3.056701e-01 -2.661314e-06 9.997030e-01 9.699495e-01 0.004395 0.001132 True md_ensemble 4 331 335 -CG1_GB1_39 CA_GB1_40 1 0.000000e+00 1.762760e-05 ; 3.578308e-01 -1.762760e-05 9.936855e-01 7.362782e-01 0.004395 0.001132 True md_ensemble 5 331 337 -CG1_GB1_39 CB_GB1_40 1 0.000000e+00 1.217852e-05 ; 3.469721e-01 -1.217852e-05 1.477736e-01 2.049541e-01 0.004395 0.001132 True md_ensemble 6 331 338 -CG1_GB1_39 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 339 +CG1_GB1_39 N_GB1_40 1 0.000000e+00 2.661289e-06 ; 3.056699e-01 -2.661289e-06 9.997030e-01 9.699495e-01 0.004395 0.001132 True md_ensemble 4 331 335 +CG1_GB1_39 CA_GB1_40 1 0.000000e+00 1.762759e-05 ; 3.578308e-01 -1.762759e-05 9.936855e-01 7.362782e-01 0.004395 0.001132 True md_ensemble 5 331 337 +CG1_GB1_39 CB_GB1_40 1 0.000000e+00 1.217837e-05 ; 3.469717e-01 -1.217837e-05 1.477736e-01 2.049541e-01 0.004395 0.001132 True md_ensemble 6 331 338 +CG1_GB1_39 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 339 CG1_GB1_39 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 340 CG1_GB1_39 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 341 -CG1_GB1_39 C_GB1_40 1 0.000000e+00 1.636837e-06 ; 2.935365e-01 -1.636837e-06 9.140105e-01 2.603492e-01 0.004395 0.001132 True md_ensemble 6 331 342 +CG1_GB1_39 C_GB1_40 1 0.000000e+00 1.636815e-06 ; 2.935362e-01 -1.636815e-06 9.140105e-01 2.603492e-01 0.004395 0.001132 True md_ensemble 6 331 342 CG1_GB1_39 O_GB1_40 1 6.670193e-04 8.110184e-07 ; 3.266997e-01 1.371469e-01 2.704062e-01 1.316178e-01 0.004395 0.007862 True md_ensemble 7 331 343 CG1_GB1_39 N_GB1_41 1 5.230985e-04 7.338640e-07 ; 3.345841e-01 9.321620e-02 8.543546e-01 1.402641e-01 0.004395 0.001132 True md_ensemble 7 331 344 CG1_GB1_39 CA_GB1_41 1 2.952990e-03 1.004505e-05 ; 3.878064e-01 2.170261e-01 8.779332e-01 1.404274e-01 0.004395 0.012151 True md_ensemble 7 331 346 -CG1_GB1_39 C_GB1_41 1 0.000000e+00 4.609035e-06 ; 3.199847e-01 -4.609035e-06 7.856886e-02 5.379575e-02 0.004395 0.001132 True md_ensemble 7 331 347 +CG1_GB1_39 C_GB1_41 1 0.000000e+00 4.608975e-06 ; 3.199843e-01 -4.608975e-06 7.856886e-02 5.379575e-02 0.004395 0.001132 True md_ensemble 7 331 347 CG1_GB1_39 O_GB1_41 1 0.000000e+00 1.532066e-06 ; 2.919229e-01 -1.532066e-06 7.255512e-03 2.592185e-02 0.004395 0.007862 True md_ensemble 7 331 348 -CG1_GB1_39 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 349 -CG1_GB1_39 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 354 +CG1_GB1_39 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 349 +CG1_GB1_39 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 354 CG1_GB1_39 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 355 CG1_GB1_39 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 356 -CG1_GB1_39 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 357 +CG1_GB1_39 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 357 CG1_GB1_39 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 358 -CG1_GB1_39 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 359 -CG1_GB1_39 NE1_GB1_43 1 0.000000e+00 3.661870e-06 ; 3.139089e-01 -3.661870e-06 8.819272e-03 2.648067e-02 0.004395 0.001132 True md_ensemble 7 331 366 +CG1_GB1_39 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 359 +CG1_GB1_39 NE1_GB1_43 1 0.000000e+00 3.661820e-06 ; 3.139085e-01 -3.661820e-06 8.819272e-03 2.648067e-02 0.004395 0.001132 True md_ensemble 7 331 366 CG1_GB1_39 CZ2_GB1_43 1 2.399671e-03 1.616926e-05 ; 4.346000e-01 8.903351e-02 8.434760e-03 2.749422e-02 0.004395 0.020719 True md_ensemble 7 331 369 -CG1_GB1_39 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 372 +CG1_GB1_39 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 372 CG1_GB1_39 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 373 -CG1_GB1_39 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 374 -CG1_GB1_39 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 378 -CG1_GB1_39 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 380 +CG1_GB1_39 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 374 +CG1_GB1_39 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 378 +CG1_GB1_39 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 380 CG1_GB1_39 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 381 -CG1_GB1_39 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 382 -CG1_GB1_39 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 392 -CG1_GB1_39 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 393 +CG1_GB1_39 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 382 +CG1_GB1_39 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 392 +CG1_GB1_39 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 393 CG1_GB1_39 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 394 -CG1_GB1_39 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 395 -CG1_GB1_39 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 399 +CG1_GB1_39 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 395 +CG1_GB1_39 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 399 CG1_GB1_39 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 400 CG1_GB1_39 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 401 -CG1_GB1_39 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 402 +CG1_GB1_39 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 402 CG1_GB1_39 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 403 -CG1_GB1_39 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 404 -CG1_GB1_39 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 408 +CG1_GB1_39 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 404 +CG1_GB1_39 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 408 CG1_GB1_39 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 409 CG1_GB1_39 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 410 -CG1_GB1_39 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 411 +CG1_GB1_39 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 411 CG1_GB1_39 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 412 -CG1_GB1_39 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 413 -CG1_GB1_39 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 417 +CG1_GB1_39 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 413 +CG1_GB1_39 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 417 CG1_GB1_39 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 418 -CG1_GB1_39 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 419 -CG1_GB1_39 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 423 -CG1_GB1_39 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 425 +CG1_GB1_39 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 419 +CG1_GB1_39 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 423 +CG1_GB1_39 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 425 CG1_GB1_39 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 426 -CG1_GB1_39 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 427 -CG1_GB1_39 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 434 -CG1_GB1_39 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 435 +CG1_GB1_39 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 427 +CG1_GB1_39 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 434 +CG1_GB1_39 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 435 CG1_GB1_39 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 436 -CG1_GB1_39 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 437 -CG1_GB1_39 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 441 -CG1_GB1_39 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 443 +CG1_GB1_39 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 437 +CG1_GB1_39 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 441 +CG1_GB1_39 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 443 CG1_GB1_39 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 444 -CG1_GB1_39 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 445 -CG1_GB1_39 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 455 +CG1_GB1_39 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 445 +CG1_GB1_39 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 455 CG1_GB1_39 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 456 -CG1_GB1_39 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 457 -CG1_GB1_39 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 461 -CG1_GB1_39 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 463 +CG1_GB1_39 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 457 +CG1_GB1_39 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 461 +CG1_GB1_39 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 463 CG1_GB1_39 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 464 -CG1_GB1_39 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 465 +CG1_GB1_39 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 465 CG1_GB1_39 CA_GB1_54 1 1.748920e-02 2.309566e-04 ; 4.861759e-01 3.310925e-01 6.931653e-01 8.601405e-04 0.004395 0.010759 True md_ensemble 7 331 467 CG1_GB1_39 CB_GB1_54 1 6.066462e-03 2.641542e-05 ; 4.040983e-01 3.482999e-01 9.675841e-01 2.224708e-03 0.004395 0.010759 True md_ensemble 7 331 468 CG1_GB1_39 CG1_GB1_54 1 1.846048e-03 2.440798e-06 ; 3.312949e-01 3.490553e-01 9.818552e-01 1.879526e-03 0.004395 0.020717 True md_ensemble 7 331 469 @@ -39433,7 +39433,7 @@ CG1_GB1_39 C_GB1_54 1 6.936493e-03 3.997218e-05 ; 4.234183e-01 3.009276e- CG1_GB1_39 O_GB1_54 1 2.077515e-03 3.753662e-06 ; 3.489944e-01 2.874572e-01 2.975203e-01 2.780816e-04 0.004395 0.007862 True md_ensemble 7 331 472 CG1_GB1_39 N_GB1_55 1 3.803754e-03 2.209802e-05 ; 4.239912e-01 1.636860e-01 2.701552e-02 1.099317e-04 0.004395 0.001132 True md_ensemble 7 331 473 CG1_GB1_39 CA_GB1_55 1 1.752855e-02 2.564732e-04 ; 4.945566e-01 2.994953e-01 3.757103e-01 1.103041e-03 0.004395 0.010759 True md_ensemble 7 331 475 -CG1_GB1_39 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 477 +CG1_GB1_39 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 477 CG1_GB1_39 C_GB1_55 1 6.108557e-03 4.262421e-05 ; 4.371391e-01 2.188573e-01 7.871253e-02 3.435990e-04 0.004395 0.001132 True md_ensemble 7 331 479 CG1_GB1_39 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 480 CG1_GB1_39 N_GB1_56 1 4.769593e-03 2.114764e-05 ; 4.053188e-01 2.689309e-01 2.077600e-01 2.065863e-04 0.004395 0.001132 True md_ensemble 7 331 481 @@ -39443,128 +39443,128 @@ CG1_GB1_39 CG_GB1_56 1 2.531017e-03 4.614885e-06 ; 3.495245e-01 3.470318e- CG1_GB1_39 CD_GB1_56 1 2.388802e-03 4.313320e-06 ; 3.489570e-01 3.307414e-01 8.903469e-01 1.463479e-03 0.004395 0.001132 True md_ensemble 7 331 486 CG1_GB1_39 OE1_GB1_56 1 1.540706e-03 1.842545e-06 ; 3.257990e-01 3.220783e-01 5.820436e-01 1.099998e-03 0.004395 0.001132 True md_ensemble 7 331 487 CG1_GB1_39 OE2_GB1_56 1 1.540706e-03 1.842545e-06 ; 3.257990e-01 3.220783e-01 5.820436e-01 1.099998e-03 0.004395 0.001132 True md_ensemble 7 331 488 -CG1_GB1_39 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 489 +CG1_GB1_39 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 489 CG1_GB1_39 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 490 CG1_GB1_39 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 331 491 -CG2_GB1_39 C_GB1_39 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 333 +CG2_GB1_39 C_GB1_39 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 333 CG2_GB1_39 O_GB1_39 1 0.000000e+00 1.397360e-06 ; 2.896926e-01 -1.397360e-06 9.908680e-01 9.199688e-01 0.004395 0.001132 True md_ensemble 4 332 334 -CG2_GB1_39 N_GB1_40 1 0.000000e+00 2.779028e-06 ; 3.067746e-01 -2.779028e-06 9.510432e-01 9.642051e-01 0.004395 0.001132 True md_ensemble 4 332 335 -CG2_GB1_39 CA_GB1_40 1 0.000000e+00 3.567926e-05 ; 3.794865e-01 -3.567926e-05 1.561435e-01 6.591930e-01 0.004395 0.001132 True md_ensemble 5 332 337 +CG2_GB1_39 N_GB1_40 1 0.000000e+00 2.779002e-06 ; 3.067744e-01 -2.779002e-06 9.510432e-01 9.642051e-01 0.004395 0.001132 True md_ensemble 4 332 335 +CG2_GB1_39 CA_GB1_40 1 0.000000e+00 3.567924e-05 ; 3.794865e-01 -3.567924e-05 1.561435e-01 6.591930e-01 0.004395 0.001132 True md_ensemble 5 332 337 CG2_GB1_39 CB_GB1_40 1 0.000000e+00 1.151981e-05 ; 3.453680e-01 -1.151981e-05 6.581925e-04 1.935471e-01 0.004395 0.001132 True md_ensemble 6 332 338 -CG2_GB1_39 CG_GB1_40 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 339 +CG2_GB1_39 CG_GB1_40 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 339 CG2_GB1_39 OD1_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 340 CG2_GB1_39 OD2_GB1_40 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 341 -CG2_GB1_39 C_GB1_40 1 0.000000e+00 5.601245e-06 ; 3.252261e-01 -5.601245e-06 5.333822e-03 1.905026e-01 0.004395 0.001132 True md_ensemble 6 332 342 +CG2_GB1_39 C_GB1_40 1 0.000000e+00 5.601172e-06 ; 3.252257e-01 -5.601172e-06 5.333822e-03 1.905026e-01 0.004395 0.001132 True md_ensemble 6 332 342 CG2_GB1_39 O_GB1_40 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 343 -CG2_GB1_39 N_GB1_41 1 0.000000e+00 3.036193e-06 ; 3.090455e-01 -3.036193e-06 5.865767e-03 1.127834e-01 0.004395 0.001132 True md_ensemble 7 332 344 -CG2_GB1_39 CA_GB1_41 1 0.000000e+00 1.275412e-05 ; 3.483099e-01 -1.275412e-05 5.103475e-03 1.122500e-01 0.004395 0.012151 True md_ensemble 7 332 346 -CG2_GB1_39 C_GB1_41 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 347 +CG2_GB1_39 N_GB1_41 1 0.000000e+00 3.036165e-06 ; 3.090453e-01 -3.036165e-06 5.865767e-03 1.127834e-01 0.004395 0.001132 True md_ensemble 7 332 344 +CG2_GB1_39 CA_GB1_41 1 0.000000e+00 1.275396e-05 ; 3.483096e-01 -1.275396e-05 5.103475e-03 1.122500e-01 0.004395 0.012151 True md_ensemble 7 332 346 +CG2_GB1_39 C_GB1_41 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 347 CG2_GB1_39 O_GB1_41 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 348 -CG2_GB1_39 N_GB1_42 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 349 -CG2_GB1_39 CD_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 354 +CG2_GB1_39 N_GB1_42 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 349 +CG2_GB1_39 CD_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 354 CG2_GB1_39 OE1_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 355 CG2_GB1_39 OE2_GB1_42 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 356 -CG2_GB1_39 C_GB1_42 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 357 +CG2_GB1_39 C_GB1_42 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 357 CG2_GB1_39 O_GB1_42 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 358 -CG2_GB1_39 N_GB1_43 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 359 -CG2_GB1_39 NE1_GB1_43 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 366 -CG2_GB1_39 C_GB1_43 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 372 +CG2_GB1_39 N_GB1_43 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 359 +CG2_GB1_39 NE1_GB1_43 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 366 +CG2_GB1_39 C_GB1_43 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 372 CG2_GB1_39 O_GB1_43 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 373 -CG2_GB1_39 N_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 374 -CG2_GB1_39 OG1_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 378 -CG2_GB1_39 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 380 +CG2_GB1_39 N_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 374 +CG2_GB1_39 OG1_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 378 +CG2_GB1_39 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 380 CG2_GB1_39 O_GB1_44 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 381 -CG2_GB1_39 N_GB1_45 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 382 -CG2_GB1_39 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 392 -CG2_GB1_39 C_GB1_45 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 393 +CG2_GB1_39 N_GB1_45 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 382 +CG2_GB1_39 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 392 +CG2_GB1_39 C_GB1_45 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 393 CG2_GB1_39 O_GB1_45 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 394 -CG2_GB1_39 N_GB1_46 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 395 -CG2_GB1_39 CG_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 399 +CG2_GB1_39 N_GB1_46 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 395 +CG2_GB1_39 CG_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 399 CG2_GB1_39 OD1_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 400 CG2_GB1_39 OD2_GB1_46 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 401 -CG2_GB1_39 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 402 +CG2_GB1_39 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 402 CG2_GB1_39 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 403 -CG2_GB1_39 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 404 -CG2_GB1_39 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 408 +CG2_GB1_39 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 404 +CG2_GB1_39 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 408 CG2_GB1_39 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 409 CG2_GB1_39 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 410 -CG2_GB1_39 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 411 +CG2_GB1_39 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 411 CG2_GB1_39 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 412 -CG2_GB1_39 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 413 -CG2_GB1_39 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 417 +CG2_GB1_39 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 413 +CG2_GB1_39 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 417 CG2_GB1_39 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 418 -CG2_GB1_39 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 419 -CG2_GB1_39 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 423 -CG2_GB1_39 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 425 +CG2_GB1_39 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 419 +CG2_GB1_39 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 423 +CG2_GB1_39 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 425 CG2_GB1_39 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 426 -CG2_GB1_39 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 427 -CG2_GB1_39 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 434 -CG2_GB1_39 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 435 +CG2_GB1_39 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 427 +CG2_GB1_39 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 434 +CG2_GB1_39 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 435 CG2_GB1_39 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 436 -CG2_GB1_39 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 437 -CG2_GB1_39 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 441 -CG2_GB1_39 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 443 +CG2_GB1_39 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 437 +CG2_GB1_39 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 441 +CG2_GB1_39 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 443 CG2_GB1_39 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 444 -CG2_GB1_39 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 445 -CG2_GB1_39 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 455 +CG2_GB1_39 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 445 +CG2_GB1_39 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 455 CG2_GB1_39 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 456 -CG2_GB1_39 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 457 -CG2_GB1_39 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 461 -CG2_GB1_39 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 463 +CG2_GB1_39 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 457 +CG2_GB1_39 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 461 +CG2_GB1_39 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 463 CG2_GB1_39 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 464 -CG2_GB1_39 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 465 +CG2_GB1_39 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 465 CG2_GB1_39 CB_GB1_54 1 7.562176e-03 6.989478e-05 ; 4.581064e-01 2.045450e-01 5.964356e-02 1.984263e-03 0.004395 0.010759 True md_ensemble 7 332 468 CG2_GB1_39 CG1_GB1_54 1 3.142205e-03 1.052736e-05 ; 3.868247e-01 2.344712e-01 1.065324e-01 1.355781e-03 0.004395 0.020717 True md_ensemble 7 332 469 CG2_GB1_39 CG2_GB1_54 1 1.483657e-03 4.747176e-06 ; 3.838695e-01 1.159235e-01 1.070409e-02 1.805394e-03 0.004395 0.020717 True md_ensemble 7 332 470 -CG2_GB1_39 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 471 +CG2_GB1_39 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 471 CG2_GB1_39 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 472 -CG2_GB1_39 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 473 -CG2_GB1_39 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 477 -CG2_GB1_39 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 479 +CG2_GB1_39 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 473 +CG2_GB1_39 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 477 +CG2_GB1_39 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 479 CG2_GB1_39 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 480 -CG2_GB1_39 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 481 +CG2_GB1_39 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 481 CG2_GB1_39 CA_GB1_56 1 6.384819e-03 8.140958e-05 ; 4.833420e-01 1.251877e-01 1.280960e-02 1.263294e-03 0.004395 0.010759 True md_ensemble 7 332 483 CG2_GB1_39 CB_GB1_56 1 5.763468e-03 3.552068e-05 ; 4.281864e-01 2.337904e-01 1.051357e-01 6.027077e-04 0.004395 0.012151 True md_ensemble 7 332 484 CG2_GB1_39 CG_GB1_56 1 5.841035e-03 2.883084e-05 ; 4.126304e-01 2.958437e-01 3.500366e-01 7.803341e-04 0.004395 0.012151 True md_ensemble 7 332 485 CG2_GB1_39 CD_GB1_56 1 3.966084e-03 1.280821e-05 ; 3.844629e-01 3.070262e-01 4.347578e-01 8.076206e-04 0.004395 0.001132 True md_ensemble 7 332 486 CG2_GB1_39 OE1_GB1_56 1 1.729622e-03 2.799268e-06 ; 3.426486e-01 2.671761e-01 2.008125e-01 7.313983e-04 0.004395 0.001132 True md_ensemble 7 332 487 CG2_GB1_39 OE2_GB1_56 1 1.729622e-03 2.799268e-06 ; 3.426486e-01 2.671761e-01 2.008125e-01 7.313983e-04 0.004395 0.001132 True md_ensemble 7 332 488 -CG2_GB1_39 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 489 +CG2_GB1_39 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 489 CG2_GB1_39 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 490 CG2_GB1_39 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 332 491 - C_GB1_39 CB_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 333 338 - C_GB1_39 CG_GB1_40 1 0.000000e+00 2.428181e-06 ; 3.033438e-01 -2.428181e-06 9.802367e-01 9.146665e-01 0.004395 0.001132 True md_ensemble 4 333 339 - C_GB1_39 OD1_GB1_40 1 0.000000e+00 5.230354e-07 ; 2.669148e-01 -5.230354e-07 5.304733e-01 3.118213e-01 0.004395 0.001132 True md_ensemble 5 333 340 - C_GB1_39 OD2_GB1_40 1 0.000000e+00 5.230354e-07 ; 2.669148e-01 -5.230354e-07 5.304733e-01 3.118213e-01 0.004395 0.001132 True md_ensemble 5 333 341 - C_GB1_39 O_GB1_40 1 0.000000e+00 1.055265e-06 ; 2.829926e-01 -1.055265e-06 6.300536e-01 9.061575e-01 0.004395 0.001132 True md_ensemble 4 333 343 - C_GB1_39 N_GB1_41 1 0.000000e+00 1.475542e-06 ; 2.910098e-01 -1.475542e-06 9.925748e-01 9.709543e-01 0.004395 0.001132 True md_ensemble 4 333 344 - C_GB1_39 CA_GB1_41 1 0.000000e+00 5.263781e-06 ; 3.235463e-01 -5.263781e-06 8.181027e-01 6.491436e-01 0.004395 0.001132 True md_ensemble 5 333 346 + C_GB1_39 CB_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 333 338 + C_GB1_39 CG_GB1_40 1 0.000000e+00 2.428138e-06 ; 3.033433e-01 -2.428138e-06 9.802367e-01 9.146665e-01 0.004395 0.001132 True md_ensemble 4 333 339 + C_GB1_39 OD1_GB1_40 1 0.000000e+00 5.230331e-07 ; 2.669147e-01 -5.230331e-07 5.304733e-01 3.118213e-01 0.004395 0.001132 True md_ensemble 5 333 340 + C_GB1_39 OD2_GB1_40 1 0.000000e+00 5.230331e-07 ; 2.669147e-01 -5.230331e-07 5.304733e-01 3.118213e-01 0.004395 0.001132 True md_ensemble 5 333 341 + C_GB1_39 O_GB1_40 1 0.000000e+00 1.055260e-06 ; 2.829925e-01 -1.055260e-06 6.300536e-01 9.061575e-01 0.004395 0.001132 True md_ensemble 4 333 343 + C_GB1_39 N_GB1_41 1 0.000000e+00 1.475521e-06 ; 2.910095e-01 -1.475521e-06 9.925748e-01 9.709543e-01 0.004395 0.001132 True md_ensemble 4 333 344 + C_GB1_39 CA_GB1_41 1 0.000000e+00 5.263692e-06 ; 3.235459e-01 -5.263692e-06 8.181027e-01 6.491436e-01 0.004395 0.001132 True md_ensemble 5 333 346 C_GB1_39 C_GB1_41 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 2.288950e-04 6.778106e-02 0.004395 0.001132 True md_ensemble 6 333 347 - C_GB1_39 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 333 352 - C_GB1_39 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 333 353 - C_GB1_39 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 333 362 - C_GB1_39 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 333 377 - C_GB1_39 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 333 379 - C_GB1_39 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 333 385 - C_GB1_39 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 333 398 - C_GB1_39 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 333 407 - C_GB1_39 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 333 416 - C_GB1_39 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 333 422 - C_GB1_39 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 333 424 - C_GB1_39 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 333 430 - C_GB1_39 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 333 431 - C_GB1_39 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 333 432 - C_GB1_39 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 333 433 - C_GB1_39 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 333 440 - C_GB1_39 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 333 442 - C_GB1_39 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 333 448 - C_GB1_39 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 333 460 - C_GB1_39 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 333 462 + C_GB1_39 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 333 352 + C_GB1_39 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 333 353 + C_GB1_39 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 333 362 + C_GB1_39 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 333 377 + C_GB1_39 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 333 379 + C_GB1_39 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 333 385 + C_GB1_39 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 333 398 + C_GB1_39 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 333 407 + C_GB1_39 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 333 416 + C_GB1_39 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 333 422 + C_GB1_39 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 333 424 + C_GB1_39 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 333 430 + C_GB1_39 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 333 431 + C_GB1_39 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 333 432 + C_GB1_39 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 333 433 + C_GB1_39 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 333 440 + C_GB1_39 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 333 442 + C_GB1_39 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 333 448 + C_GB1_39 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 333 460 + C_GB1_39 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 333 462 C_GB1_39 CB_GB1_54 1 7.871504e-03 1.025710e-04 ; 4.850961e-01 1.510187e-01 2.113395e-02 1.999356e-04 0.004395 0.001132 True md_ensemble 7 333 468 C_GB1_39 CG1_GB1_54 1 6.353189e-03 3.659420e-05 ; 4.233863e-01 2.757473e-01 2.371060e-01 2.497409e-04 0.004395 0.001132 True md_ensemble 7 333 469 C_GB1_39 CG2_GB1_54 1 5.045536e-03 3.010062e-05 ; 4.258710e-01 2.114361e-01 6.816670e-02 2.518669e-04 0.004395 0.001132 True md_ensemble 7 333 470 - C_GB1_39 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 333 476 - C_GB1_39 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 333 478 + C_GB1_39 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 333 476 + C_GB1_39 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 333 478 C_GB1_39 CB_GB1_56 1 6.473996e-03 4.599565e-05 ; 4.384540e-01 2.278075e-01 9.362395e-02 6.736121e-06 0.004395 0.001132 True md_ensemble 7 333 484 C_GB1_39 CG_GB1_56 1 6.926082e-03 3.655225e-05 ; 4.172578e-01 3.280961e-01 6.540542e-01 1.871421e-04 0.004395 0.001132 True md_ensemble 7 333 485 C_GB1_39 CD_GB1_56 1 4.577311e-03 1.561964e-05 ; 3.880104e-01 3.353436e-01 7.527009e-01 1.886921e-04 0.004395 0.011584 True md_ensemble 7 333 486 @@ -39572,15 +39572,15 @@ CG2_GB1_39 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- C_GB1_39 OE2_GB1_56 1 1.372809e-03 1.540282e-06 ; 3.223530e-01 3.058861e-01 4.252560e-01 3.439150e-04 0.004395 0.011584 True md_ensemble 7 333 488 O_GB1_39 O_GB1_39 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 334 334 O_GB1_39 H_GB1_40 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 334 336 - O_GB1_39 CB_GB1_40 1 0.000000e+00 2.015563e-06 ; 2.986721e-01 -2.015563e-06 1.000000e+00 9.999537e-01 0.004395 0.001132 True md_ensemble 4 334 338 - O_GB1_39 CG_GB1_40 1 0.000000e+00 5.486075e-07 ; 2.679786e-01 -5.486075e-07 6.623673e-01 3.257838e-01 0.004395 0.001132 True md_ensemble 5 334 339 + O_GB1_39 CB_GB1_40 1 0.000000e+00 2.015555e-06 ; 2.986720e-01 -2.015555e-06 1.000000e+00 9.999537e-01 0.004395 0.001132 True md_ensemble 4 334 338 + O_GB1_39 CG_GB1_40 1 0.000000e+00 5.486050e-07 ; 2.679785e-01 -5.486050e-07 6.623673e-01 3.257838e-01 0.004395 0.001132 True md_ensemble 5 334 339 O_GB1_39 OD1_GB1_40 1 0.000000e+00 1.205692e-06 ; 2.861528e-01 -1.205692e-06 4.814213e-01 2.852157e-01 0.004395 0.001132 True md_ensemble 6 334 340 O_GB1_39 OD2_GB1_40 1 0.000000e+00 1.205692e-06 ; 2.861528e-01 -1.205692e-06 4.814213e-01 2.852157e-01 0.004395 0.001132 True md_ensemble 6 334 341 - O_GB1_39 C_GB1_40 1 0.000000e+00 8.236174e-07 ; 2.772078e-01 -8.236174e-07 9.999905e-01 9.959691e-01 0.004395 0.001132 True md_ensemble 4 334 342 + O_GB1_39 C_GB1_40 1 0.000000e+00 8.236136e-07 ; 2.772077e-01 -8.236136e-07 9.999905e-01 9.959691e-01 0.004395 0.001132 True md_ensemble 4 334 342 O_GB1_39 O_GB1_40 1 0.000000e+00 1.746816e-06 ; 2.951315e-01 -1.746816e-06 6.943831e-01 8.589268e-01 0.004395 0.001132 True md_ensemble 5 334 343 O_GB1_39 N_GB1_41 1 0.000000e+00 1.550605e-06 ; 2.922156e-01 -1.550605e-06 8.590983e-01 8.928351e-01 0.004395 0.001132 True md_ensemble 5 334 344 - O_GB1_39 H_GB1_41 1 0.000000e+00 1.211915e-08 ; 1.950373e-01 -1.211915e-08 3.620192e-01 1.430832e-01 0.004395 0.001132 True md_ensemble 6 334 345 - O_GB1_39 CA_GB1_41 1 0.000000e+00 2.264235e-06 ; 3.015818e-01 -2.264235e-06 2.285384e-01 3.518625e-01 0.004395 0.001132 True md_ensemble 6 334 346 + O_GB1_39 H_GB1_41 1 0.000000e+00 1.211934e-08 ; 1.950376e-01 -1.211934e-08 3.620192e-01 1.430832e-01 0.004395 0.001132 True md_ensemble 6 334 345 + O_GB1_39 CA_GB1_41 1 0.000000e+00 2.264227e-06 ; 3.015817e-01 -2.264227e-06 2.285384e-01 3.518625e-01 0.004395 0.001132 True md_ensemble 6 334 346 O_GB1_39 O_GB1_41 1 0.000000e+00 1.522198e-06 ; 2.917657e-01 -1.522198e-06 5.414152e-02 6.893996e-02 0.004395 0.001132 True md_ensemble 7 334 348 O_GB1_39 H_GB1_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 334 350 O_GB1_39 CB_GB1_42 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.197391e-01 0.004395 0.007862 True md_ensemble 7 334 352 @@ -39648,52 +39648,52 @@ CG2_GB1_39 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- O_GB1_39 OE2_GB1_56 1 4.336592e-03 2.164798e-05 ; 4.134073e-01 2.171800e-01 7.619460e-02 6.497488e-04 0.004395 0.001132 True md_ensemble 7 334 488 O_GB1_39 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 334 490 O_GB1_39 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 334 491 - N_GB1_40 CB_GB1_40 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 335 338 + N_GB1_40 CB_GB1_40 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 335 338 N_GB1_40 OD1_GB1_40 1 0.000000e+00 1.470520e-06 ; 2.909271e-01 -1.470520e-06 9.603635e-01 9.407101e-01 0.004395 0.001132 True md_ensemble 4 335 340 N_GB1_40 OD2_GB1_40 1 0.000000e+00 1.470520e-06 ; 2.909271e-01 -1.470520e-06 9.603635e-01 9.407101e-01 0.004395 0.001132 True md_ensemble 4 335 341 - N_GB1_40 CA_GB1_41 1 0.000000e+00 3.534528e-06 ; 3.129843e-01 -3.534528e-06 9.997335e-01 9.612268e-01 0.004395 0.001132 True md_ensemble 4 335 346 + N_GB1_40 CA_GB1_41 1 0.000000e+00 3.534481e-06 ; 3.129840e-01 -3.534481e-06 9.997335e-01 9.612268e-01 0.004395 0.001132 True md_ensemble 4 335 346 N_GB1_40 C_GB1_41 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 5.464825e-04 3.936172e-02 0.004395 0.001132 True md_ensemble 5 335 347 N_GB1_40 O_GB1_41 1 0.000000e+00 1.593508e-06 ; 2.928810e-01 -1.593508e-06 6.477445e-03 6.881643e-02 0.004395 0.001132 True md_ensemble 6 335 348 N_GB1_40 N_GB1_42 1 0.000000e+00 8.752940e-07 ; 2.786171e-01 -8.752940e-07 0.000000e+00 5.607636e-02 0.004395 0.001132 True md_ensemble 6 335 349 - N_GB1_40 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 335 352 - N_GB1_40 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 335 353 + N_GB1_40 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 335 352 + N_GB1_40 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 335 353 N_GB1_40 N_GB1_43 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 6.948758e-04 0.004395 0.001132 True md_ensemble 7 335 359 - N_GB1_40 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 335 362 + N_GB1_40 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 335 362 N_GB1_40 N_GB1_44 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 335 374 - N_GB1_40 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 335 377 - N_GB1_40 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 335 379 + N_GB1_40 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 335 377 + N_GB1_40 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 335 379 N_GB1_40 N_GB1_45 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 335 382 - N_GB1_40 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 335 385 + N_GB1_40 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 335 385 N_GB1_40 N_GB1_46 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 335 395 - N_GB1_40 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 335 398 + N_GB1_40 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 335 398 N_GB1_40 N_GB1_47 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 335 404 - N_GB1_40 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 335 407 + N_GB1_40 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 335 407 N_GB1_40 N_GB1_48 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 335 413 - N_GB1_40 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 335 416 + N_GB1_40 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 335 416 N_GB1_40 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 335 419 - N_GB1_40 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 335 422 - N_GB1_40 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 335 424 + N_GB1_40 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 335 422 + N_GB1_40 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 335 424 N_GB1_40 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 335 427 - N_GB1_40 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 335 430 - N_GB1_40 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 335 431 - N_GB1_40 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 335 432 - N_GB1_40 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 335 433 + N_GB1_40 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 335 430 + N_GB1_40 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 335 431 + N_GB1_40 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 335 432 + N_GB1_40 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 335 433 N_GB1_40 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.920543e-05 0.004395 0.001132 True md_ensemble 7 335 434 N_GB1_40 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 335 437 - N_GB1_40 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 335 440 - N_GB1_40 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 335 442 + N_GB1_40 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 335 440 + N_GB1_40 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 335 442 N_GB1_40 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 335 445 - N_GB1_40 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 335 448 + N_GB1_40 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 335 448 N_GB1_40 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 335 457 - N_GB1_40 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 335 460 - N_GB1_40 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 335 462 + N_GB1_40 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 335 460 + N_GB1_40 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 335 462 N_GB1_40 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 335 465 - N_GB1_40 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 335 468 + N_GB1_40 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 335 468 N_GB1_40 CG1_GB1_54 1 2.818121e-03 1.272241e-05 ; 4.065385e-01 1.560593e-01 2.330302e-02 2.131742e-04 0.004395 0.001132 True md_ensemble 7 335 469 N_GB1_40 CG2_GB1_54 1 2.138279e-03 9.763832e-06 ; 4.073109e-01 1.170707e-01 1.094478e-02 2.001292e-04 0.004395 0.001132 True md_ensemble 7 335 470 N_GB1_40 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 335 473 - N_GB1_40 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 335 476 - N_GB1_40 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 335 478 + N_GB1_40 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 335 476 + N_GB1_40 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 335 478 N_GB1_40 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 335 481 N_GB1_40 CA_GB1_56 1 6.281758e-03 6.278306e-05 ; 4.641164e-01 1.571303e-01 2.379182e-02 2.000686e-04 0.004395 0.008482 True md_ensemble 7 335 483 N_GB1_40 CB_GB1_56 1 4.662547e-03 1.978921e-05 ; 4.023780e-01 2.746364e-01 2.320550e-01 0.000000e+00 0.004395 0.001132 True md_ensemble 7 335 484 @@ -39702,9 +39702,9 @@ CG2_GB1_39 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- N_GB1_40 OE1_GB1_56 1 3.203201e-04 7.802189e-08 ; 2.499033e-01 3.287699e-01 6.626518e-01 3.015254e-04 0.004395 0.011584 True md_ensemble 7 335 487 N_GB1_40 OE2_GB1_56 1 3.203201e-04 7.802189e-08 ; 2.499033e-01 3.287699e-01 6.626518e-01 3.015254e-04 0.004395 0.011584 True md_ensemble 7 335 488 H_GB1_40 H_GB1_40 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 336 336 - H_GB1_40 OD1_GB1_40 1 0.000000e+00 1.342550e-08 ; 1.967082e-01 -1.342550e-08 1.182668e-01 1.871590e-01 0.004395 0.001132 True md_ensemble 5 336 340 - H_GB1_40 OD2_GB1_40 1 0.000000e+00 1.342550e-08 ; 1.967082e-01 -1.342550e-08 1.182668e-01 1.871590e-01 0.004395 0.001132 True md_ensemble 5 336 341 - H_GB1_40 O_GB1_40 1 0.000000e+00 1.969497e-08 ; 2.030913e-01 -1.969497e-08 8.646358e-02 3.557801e-01 0.004395 0.001132 True md_ensemble 4 336 343 + H_GB1_40 OD1_GB1_40 1 0.000000e+00 1.342571e-08 ; 1.967085e-01 -1.342571e-08 1.182668e-01 1.871590e-01 0.004395 0.001132 True md_ensemble 5 336 340 + H_GB1_40 OD2_GB1_40 1 0.000000e+00 1.342571e-08 ; 1.967085e-01 -1.342571e-08 1.182668e-01 1.871590e-01 0.004395 0.001132 True md_ensemble 5 336 341 + H_GB1_40 O_GB1_40 1 0.000000e+00 1.969528e-08 ; 2.030915e-01 -1.969528e-08 8.646358e-02 3.557801e-01 0.004395 0.001132 True md_ensemble 4 336 343 H_GB1_40 H_GB1_41 1 0.000000e+00 8.058002e-09 ; 1.885156e-01 -8.058002e-09 7.448840e-01 4.163842e-01 0.004395 0.001132 True md_ensemble 5 336 345 H_GB1_40 O_GB1_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 336 348 H_GB1_40 H_GB1_42 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 336 350 @@ -39752,14 +39752,14 @@ CG2_GB1_39 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- H_GB1_40 OE2_GB1_56 1 1.042322e-05 8.827904e-11 ; 1.427719e-01 3.076706e-01 4.402226e-01 3.799245e-06 0.004395 0.020721 True md_ensemble 7 336 488 H_GB1_40 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 336 490 H_GB1_40 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 336 491 - CA_GB1_40 C_GB1_41 1 0.000000e+00 1.305180e-05 ; 3.489803e-01 -1.305180e-05 1.000000e+00 9.999951e-01 0.004395 0.001132 True md_ensemble 4 337 347 - CA_GB1_40 O_GB1_41 1 0.000000e+00 1.146618e-06 ; 2.849574e-01 -1.146618e-06 9.939186e-01 2.699796e-01 0.004395 0.001132 True md_ensemble 5 337 348 + CA_GB1_40 C_GB1_41 1 0.000000e+00 1.305173e-05 ; 3.489801e-01 -1.305173e-05 1.000000e+00 9.999951e-01 0.004395 0.001132 True md_ensemble 4 337 347 + CA_GB1_40 O_GB1_41 1 0.000000e+00 1.146627e-06 ; 2.849576e-01 -1.146627e-06 9.939186e-01 2.699796e-01 0.004395 0.001132 True md_ensemble 5 337 348 CA_GB1_40 N_GB1_42 1 0.000000e+00 7.574995e-06 ; 3.335110e-01 -7.574995e-06 1.054022e-03 7.375837e-01 0.004395 0.001132 True md_ensemble 5 337 349 CA_GB1_40 CA_GB1_42 1 0.000000e+00 6.555574e-05 ; 3.992202e-01 -6.555574e-05 1.314205e-03 7.250470e-01 0.004395 0.001132 True md_ensemble 6 337 351 CA_GB1_40 CD1_GB1_43 1 3.854927e-03 4.831565e-05 ; 4.819611e-01 7.689258e-02 4.172023e-02 8.935856e-02 0.004395 0.010759 True md_ensemble 7 337 364 CA_GB1_40 NE1_GB1_43 1 4.453858e-03 3.272460e-05 ; 4.409165e-01 1.515439e-01 1.984750e-01 7.885498e-02 0.004395 0.008483 True md_ensemble 7 337 366 - CA_GB1_40 CE2_GB1_43 1 0.000000e+00 1.372539e-05 ; 3.504468e-01 -1.372539e-05 1.071122e-02 6.231512e-02 0.004395 0.010759 True md_ensemble 7 337 367 - CA_GB1_40 CZ2_GB1_43 1 0.000000e+00 1.370572e-05 ; 3.504049e-01 -1.370572e-05 7.163790e-03 5.726068e-02 0.004395 0.010759 True md_ensemble 7 337 369 + CA_GB1_40 CE2_GB1_43 1 0.000000e+00 1.372532e-05 ; 3.504466e-01 -1.372532e-05 1.071122e-02 6.231512e-02 0.004395 0.010759 True md_ensemble 7 337 367 + CA_GB1_40 CZ2_GB1_43 1 0.000000e+00 1.370565e-05 ; 3.504047e-01 -1.370565e-05 7.163790e-03 5.726068e-02 0.004395 0.010759 True md_ensemble 7 337 369 CA_GB1_40 CB_GB1_54 1 1.666807e-02 3.865366e-04 ; 5.340118e-01 1.796885e-01 3.684019e-02 7.204465e-04 0.004395 0.006476 True md_ensemble 7 337 468 CA_GB1_40 CG1_GB1_54 1 1.141387e-02 1.074109e-04 ; 4.594828e-01 3.032197e-01 4.038358e-01 1.582046e-03 0.004395 0.010759 True md_ensemble 7 337 469 CA_GB1_40 CG2_GB1_54 1 8.138517e-03 6.458052e-05 ; 4.466075e-01 2.564065e-01 1.629793e-01 6.520418e-04 0.004395 0.010759 True md_ensemble 7 337 470 @@ -39769,153 +39769,153 @@ CG2_GB1_39 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- CA_GB1_40 CD_GB1_56 1 5.188063e-03 1.970991e-05 ; 3.950147e-01 3.414017e-01 8.464864e-01 8.612598e-04 0.004395 0.008482 True md_ensemble 7 337 486 CA_GB1_40 OE1_GB1_56 1 1.629258e-03 2.107188e-06 ; 3.300798e-01 3.149319e-01 5.067543e-01 6.018362e-04 0.004395 0.008483 True md_ensemble 7 337 487 CA_GB1_40 OE2_GB1_56 1 1.629258e-03 2.107188e-06 ; 3.300798e-01 3.149319e-01 5.067543e-01 6.018362e-04 0.004395 0.008483 True md_ensemble 7 337 488 - CB_GB1_40 CG_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 339 - CB_GB1_40 OD1_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 340 - CB_GB1_40 OD2_GB1_40 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 341 - CB_GB1_40 C_GB1_40 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 342 + CB_GB1_40 CG_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 339 + CB_GB1_40 OD1_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 340 + CB_GB1_40 OD2_GB1_40 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 341 + CB_GB1_40 C_GB1_40 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 342 CB_GB1_40 O_GB1_40 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 343 - CB_GB1_40 N_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 344 - CB_GB1_40 CA_GB1_41 1 0.000000e+00 1.543903e-05 ; 3.538995e-01 -1.543903e-05 9.999918e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 338 346 - CB_GB1_40 C_GB1_41 1 0.000000e+00 7.078815e-06 ; 3.316335e-01 -7.078815e-06 3.127373e-01 4.303342e-01 0.004395 0.001132 True md_ensemble 5 338 347 - CB_GB1_40 O_GB1_41 1 0.000000e+00 1.907856e-06 ; 2.973084e-01 -1.907856e-06 1.324054e-01 7.892403e-02 0.004395 0.001132 True md_ensemble 6 338 348 - CB_GB1_40 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 349 - CB_GB1_40 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 354 - CB_GB1_40 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 355 - CB_GB1_40 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 356 - CB_GB1_40 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 357 + CB_GB1_40 N_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 344 + CB_GB1_40 CA_GB1_41 1 0.000000e+00 1.543878e-05 ; 3.538991e-01 -1.543878e-05 9.999918e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 338 346 + CB_GB1_40 C_GB1_41 1 0.000000e+00 7.078696e-06 ; 3.316330e-01 -7.078696e-06 3.127373e-01 4.303342e-01 0.004395 0.001132 True md_ensemble 5 338 347 + CB_GB1_40 O_GB1_41 1 0.000000e+00 1.907849e-06 ; 2.973083e-01 -1.907849e-06 1.324054e-01 7.892403e-02 0.004395 0.001132 True md_ensemble 6 338 348 + CB_GB1_40 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 349 + CB_GB1_40 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 354 + CB_GB1_40 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 355 + CB_GB1_40 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 356 + CB_GB1_40 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 357 CB_GB1_40 O_GB1_42 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.201383e-02 0.004395 0.007862 True md_ensemble 7 338 358 - CB_GB1_40 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 359 - CB_GB1_40 NE1_GB1_43 1 0.000000e+00 5.110721e-06 ; 3.227517e-01 -5.110721e-06 6.385090e-03 6.615483e-02 0.004395 0.001132 True md_ensemble 7 338 366 - CB_GB1_40 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 372 + CB_GB1_40 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 359 + CB_GB1_40 NE1_GB1_43 1 0.000000e+00 5.110633e-06 ; 3.227512e-01 -5.110633e-06 6.385090e-03 6.615483e-02 0.004395 0.001132 True md_ensemble 7 338 366 + CB_GB1_40 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 372 CB_GB1_40 O_GB1_43 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.808370e-02 0.004395 0.007862 True md_ensemble 7 338 373 - CB_GB1_40 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 374 - CB_GB1_40 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 378 - CB_GB1_40 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 380 + CB_GB1_40 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 374 + CB_GB1_40 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 378 + CB_GB1_40 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 380 CB_GB1_40 O_GB1_44 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.110529e-03 0.004395 0.007862 True md_ensemble 7 338 381 - CB_GB1_40 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 382 - CB_GB1_40 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 392 - CB_GB1_40 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 393 + CB_GB1_40 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 382 + CB_GB1_40 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 392 + CB_GB1_40 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 393 CB_GB1_40 O_GB1_45 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.237189e-03 0.004395 0.007862 True md_ensemble 7 338 394 - CB_GB1_40 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 395 - CB_GB1_40 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 399 - CB_GB1_40 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 400 - CB_GB1_40 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 401 - CB_GB1_40 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 402 + CB_GB1_40 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 395 + CB_GB1_40 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 399 + CB_GB1_40 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 400 + CB_GB1_40 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 401 + CB_GB1_40 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 402 CB_GB1_40 O_GB1_46 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.559357e-04 0.004395 0.007862 True md_ensemble 7 338 403 - CB_GB1_40 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 404 - CB_GB1_40 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 408 - CB_GB1_40 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 409 - CB_GB1_40 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 410 - CB_GB1_40 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 411 + CB_GB1_40 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 404 + CB_GB1_40 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 408 + CB_GB1_40 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 409 + CB_GB1_40 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 410 + CB_GB1_40 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 411 CB_GB1_40 O_GB1_47 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.209967e-04 0.004395 0.007862 True md_ensemble 7 338 412 - CB_GB1_40 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 413 - CB_GB1_40 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 417 + CB_GB1_40 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 413 + CB_GB1_40 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 417 CB_GB1_40 O_GB1_48 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.141494e-04 0.004395 0.007862 True md_ensemble 7 338 418 - CB_GB1_40 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 419 - CB_GB1_40 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 423 - CB_GB1_40 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 425 + CB_GB1_40 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 419 + CB_GB1_40 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 423 + CB_GB1_40 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 425 CB_GB1_40 O_GB1_49 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.285403e-04 0.004395 0.007862 True md_ensemble 7 338 426 - CB_GB1_40 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 427 - CB_GB1_40 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 434 - CB_GB1_40 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 435 + CB_GB1_40 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 427 + CB_GB1_40 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 434 + CB_GB1_40 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 435 CB_GB1_40 O_GB1_50 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.994232e-05 0.004395 0.007862 True md_ensemble 7 338 436 - CB_GB1_40 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 437 - CB_GB1_40 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 441 - CB_GB1_40 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 443 + CB_GB1_40 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 437 + CB_GB1_40 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 441 + CB_GB1_40 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 443 CB_GB1_40 O_GB1_51 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.887026e-04 0.004395 0.007862 True md_ensemble 7 338 444 - CB_GB1_40 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 445 - CB_GB1_40 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 455 + CB_GB1_40 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 445 + CB_GB1_40 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 455 CB_GB1_40 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.026785e-04 0.004395 0.007862 True md_ensemble 7 338 456 - CB_GB1_40 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 457 - CB_GB1_40 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 461 - CB_GB1_40 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 463 + CB_GB1_40 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 457 + CB_GB1_40 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 461 + CB_GB1_40 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 463 CB_GB1_40 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.516800e-04 0.004395 0.007862 True md_ensemble 7 338 464 - CB_GB1_40 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 465 - CB_GB1_40 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 471 + CB_GB1_40 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 465 + CB_GB1_40 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 471 CB_GB1_40 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.992247e-05 0.004395 0.007862 True md_ensemble 7 338 472 - CB_GB1_40 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 473 - CB_GB1_40 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 477 - CB_GB1_40 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 479 + CB_GB1_40 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 473 + CB_GB1_40 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 477 + CB_GB1_40 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 479 CB_GB1_40 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.128865e-04 0.004395 0.007862 True md_ensemble 7 338 480 - CB_GB1_40 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 481 + CB_GB1_40 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 481 CB_GB1_40 CA_GB1_56 1 1.647329e-02 3.380884e-04 ; 5.232489e-01 2.006645e-01 5.532199e-02 6.439534e-04 0.004395 0.007117 True md_ensemble 7 338 483 CB_GB1_40 CB_GB1_56 1 1.192387e-02 1.377069e-04 ; 4.754334e-01 2.581183e-01 1.684776e-01 4.473309e-04 0.004395 0.007860 True md_ensemble 7 338 484 CB_GB1_40 CG_GB1_56 1 6.170389e-03 2.867368e-05 ; 4.085029e-01 3.319569e-01 7.048776e-01 5.294885e-04 0.004395 0.007860 True md_ensemble 7 338 485 CB_GB1_40 CD_GB1_56 1 3.397385e-03 8.670150e-06 ; 3.696695e-01 3.328151e-01 7.167005e-01 9.832175e-04 0.004395 0.001132 True md_ensemble 7 338 486 CB_GB1_40 OE1_GB1_56 1 1.385730e-03 1.533605e-06 ; 3.216171e-01 3.130285e-01 4.883990e-01 4.491276e-04 0.004395 0.001132 True md_ensemble 7 338 487 CB_GB1_40 OE2_GB1_56 1 1.385730e-03 1.533605e-06 ; 3.216171e-01 3.130285e-01 4.883990e-01 4.491276e-04 0.004395 0.001132 True md_ensemble 7 338 488 - CB_GB1_40 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 489 - CB_GB1_40 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 490 - CB_GB1_40 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 491 - CG_GB1_40 O_GB1_40 1 0.000000e+00 7.345658e-07 ; 2.745770e-01 -7.345658e-07 7.086877e-01 5.969786e-01 0.004395 0.001132 True md_ensemble 4 339 343 - CG_GB1_40 N_GB1_41 1 0.000000e+00 1.802364e-06 ; 2.959024e-01 -1.802364e-06 5.646028e-01 7.596868e-01 0.004395 0.001132 True md_ensemble 4 339 344 - CG_GB1_40 CA_GB1_41 1 0.000000e+00 7.386238e-06 ; 3.328104e-01 -7.386238e-06 1.231601e-01 2.892926e-01 0.004395 0.001132 True md_ensemble 5 339 346 - CG_GB1_40 C_GB1_41 1 0.000000e+00 2.691827e-06 ; 3.059607e-01 -2.691827e-06 1.546544e-02 5.135343e-02 0.004395 0.001132 True md_ensemble 6 339 347 + CB_GB1_40 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 489 + CB_GB1_40 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 490 + CB_GB1_40 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 338 491 + CG_GB1_40 O_GB1_40 1 0.000000e+00 7.345624e-07 ; 2.745769e-01 -7.345624e-07 7.086877e-01 5.969786e-01 0.004395 0.001132 True md_ensemble 4 339 343 + CG_GB1_40 N_GB1_41 1 0.000000e+00 1.802339e-06 ; 2.959021e-01 -1.802339e-06 5.646028e-01 7.596868e-01 0.004395 0.001132 True md_ensemble 4 339 344 + CG_GB1_40 CA_GB1_41 1 0.000000e+00 7.386114e-06 ; 3.328100e-01 -7.386114e-06 1.231601e-01 2.892926e-01 0.004395 0.001132 True md_ensemble 5 339 346 + CG_GB1_40 C_GB1_41 1 0.000000e+00 2.691780e-06 ; 3.059602e-01 -2.691780e-06 1.546544e-02 5.135343e-02 0.004395 0.001132 True md_ensemble 6 339 347 CG_GB1_40 O_GB1_41 1 1.276909e-03 3.297843e-06 ; 3.704063e-01 1.236032e-01 2.206984e-02 2.058064e-02 0.004395 0.011584 True md_ensemble 7 339 348 - CG_GB1_40 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 352 - CG_GB1_40 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 353 - CG_GB1_40 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 362 - CG_GB1_40 NE1_GB1_43 1 0.000000e+00 2.047754e-06 ; 2.990668e-01 -2.047754e-06 7.464622e-03 4.248316e-02 0.004395 0.011584 True md_ensemble 7 339 366 - CG_GB1_40 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 377 - CG_GB1_40 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 379 - CG_GB1_40 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 385 - CG_GB1_40 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 398 - CG_GB1_40 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 407 - CG_GB1_40 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 416 - CG_GB1_40 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 422 - CG_GB1_40 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 424 - CG_GB1_40 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 430 - CG_GB1_40 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 431 - CG_GB1_40 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 432 - CG_GB1_40 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 433 - CG_GB1_40 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 440 - CG_GB1_40 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 442 - CG_GB1_40 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 448 - CG_GB1_40 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 460 - CG_GB1_40 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 462 - CG_GB1_40 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 468 - CG_GB1_40 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 469 - CG_GB1_40 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 470 - CG_GB1_40 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 476 - CG_GB1_40 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 478 - CG_GB1_40 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 484 + CG_GB1_40 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 352 + CG_GB1_40 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 353 + CG_GB1_40 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 362 + CG_GB1_40 NE1_GB1_43 1 0.000000e+00 2.047717e-06 ; 2.990663e-01 -2.047717e-06 7.464622e-03 4.248316e-02 0.004395 0.011584 True md_ensemble 7 339 366 + CG_GB1_40 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 377 + CG_GB1_40 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 379 + CG_GB1_40 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 385 + CG_GB1_40 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 398 + CG_GB1_40 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 407 + CG_GB1_40 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 416 + CG_GB1_40 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 422 + CG_GB1_40 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 424 + CG_GB1_40 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 430 + CG_GB1_40 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 431 + CG_GB1_40 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 432 + CG_GB1_40 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 433 + CG_GB1_40 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 440 + CG_GB1_40 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 442 + CG_GB1_40 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 448 + CG_GB1_40 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 460 + CG_GB1_40 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 462 + CG_GB1_40 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 468 + CG_GB1_40 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 469 + CG_GB1_40 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 470 + CG_GB1_40 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 476 + CG_GB1_40 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 478 + CG_GB1_40 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 339 484 CG_GB1_40 CG_GB1_56 1 5.195318e-03 2.987015e-05 ; 4.232571e-01 2.259055e-01 9.023509e-02 6.725291e-04 0.004395 0.001132 True md_ensemble 7 339 485 CG_GB1_40 CD_GB1_56 1 3.581582e-03 1.233454e-05 ; 3.886047e-01 2.599961e-01 1.747227e-01 4.599238e-04 0.004395 0.011584 True md_ensemble 7 339 486 CG_GB1_40 OE1_GB1_56 1 1.281197e-03 1.522618e-06 ; 3.254587e-01 2.695138e-01 2.101208e-01 6.024136e-04 0.004395 0.011584 True md_ensemble 7 339 487 CG_GB1_40 OE2_GB1_56 1 1.281197e-03 1.522618e-06 ; 3.254587e-01 2.695138e-01 2.101208e-01 6.024136e-04 0.004395 0.011584 True md_ensemble 7 339 488 OD1_GB1_40 OD1_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 340 OD1_GB1_40 OD2_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 341 -OD1_GB1_40 C_GB1_40 1 0.000000e+00 6.872657e-07 ; 2.730583e-01 -6.872657e-07 4.856076e-01 5.122947e-01 0.004395 0.001132 True md_ensemble 4 340 342 +OD1_GB1_40 C_GB1_40 1 0.000000e+00 6.872627e-07 ; 2.730582e-01 -6.872627e-07 4.856076e-01 5.122947e-01 0.004395 0.001132 True md_ensemble 4 340 342 OD1_GB1_40 O_GB1_40 1 0.000000e+00 1.554728e-06 ; 2.922803e-01 -1.554728e-06 3.037196e-01 3.402047e-01 0.004395 0.001132 True md_ensemble 5 340 343 OD1_GB1_40 N_GB1_41 1 0.000000e+00 1.788185e-06 ; 2.957077e-01 -1.788185e-06 1.392615e-01 3.313848e-01 0.004395 0.001132 True md_ensemble 5 340 344 -OD1_GB1_40 H_GB1_41 1 0.000000e+00 1.285057e-08 ; 1.959921e-01 -1.285057e-08 2.067905e-02 4.379736e-02 0.004395 0.001132 True md_ensemble 6 340 345 -OD1_GB1_40 CA_GB1_41 1 0.000000e+00 1.731935e-06 ; 2.949212e-01 -1.731935e-06 3.204699e-02 9.350818e-02 0.004395 0.001132 True md_ensemble 6 340 346 +OD1_GB1_40 H_GB1_41 1 0.000000e+00 1.285077e-08 ; 1.959923e-01 -1.285077e-08 2.067905e-02 4.379736e-02 0.004395 0.001132 True md_ensemble 6 340 345 +OD1_GB1_40 CA_GB1_41 1 0.000000e+00 1.731929e-06 ; 2.949211e-01 -1.731929e-06 3.204699e-02 9.350818e-02 0.004395 0.001132 True md_ensemble 6 340 346 OD1_GB1_40 O_GB1_41 1 0.000000e+00 1.463843e-06 ; 2.908168e-01 -1.463843e-06 5.124257e-02 2.713771e-02 0.004395 0.001132 True md_ensemble 7 340 348 OD1_GB1_40 H_GB1_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 350 -OD1_GB1_40 CB_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 352 -OD1_GB1_40 CG_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 353 +OD1_GB1_40 CB_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 352 +OD1_GB1_40 CG_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 353 OD1_GB1_40 OE1_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 355 OD1_GB1_40 OE2_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 356 OD1_GB1_40 O_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 358 OD1_GB1_40 H_GB1_43 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 360 -OD1_GB1_40 CB_GB1_43 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 362 -OD1_GB1_40 CD1_GB1_43 1 0.000000e+00 6.809517e-07 ; 2.728484e-01 -6.809517e-07 4.837277e-03 2.209201e-02 0.004395 0.015244 True md_ensemble 7 340 364 -OD1_GB1_40 NE1_GB1_43 1 0.000000e+00 5.193720e-07 ; 2.667585e-01 -5.193720e-07 5.721815e-03 2.477458e-02 0.004395 0.011584 True md_ensemble 7 340 366 +OD1_GB1_40 CB_GB1_43 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 362 +OD1_GB1_40 CD1_GB1_43 1 0.000000e+00 6.809487e-07 ; 2.728483e-01 -6.809487e-07 4.837277e-03 2.209201e-02 0.004395 0.015244 True md_ensemble 7 340 364 +OD1_GB1_40 NE1_GB1_43 1 0.000000e+00 5.193695e-07 ; 2.667584e-01 -5.193695e-07 5.721815e-03 2.477458e-02 0.004395 0.011584 True md_ensemble 7 340 366 OD1_GB1_40 O_GB1_43 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 373 OD1_GB1_40 H_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 375 -OD1_GB1_40 CB_GB1_44 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 377 +OD1_GB1_40 CB_GB1_44 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 377 OD1_GB1_40 CG2_GB1_44 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 379 OD1_GB1_40 O_GB1_44 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 381 OD1_GB1_40 H_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 383 -OD1_GB1_40 CB_GB1_45 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 385 +OD1_GB1_40 CB_GB1_45 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 385 OD1_GB1_40 O_GB1_45 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 394 OD1_GB1_40 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 396 -OD1_GB1_40 CB_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 398 +OD1_GB1_40 CB_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 398 OD1_GB1_40 OD1_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 400 OD1_GB1_40 OD2_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 401 OD1_GB1_40 O_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 403 OD1_GB1_40 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 405 -OD1_GB1_40 CB_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 407 +OD1_GB1_40 CB_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 407 OD1_GB1_40 OD1_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 409 OD1_GB1_40 OD2_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 410 OD1_GB1_40 O_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 412 @@ -39923,37 +39923,37 @@ OD1_GB1_40 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e- OD1_GB1_40 CB_GB1_48 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 416 OD1_GB1_40 O_GB1_48 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 418 OD1_GB1_40 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 420 -OD1_GB1_40 CB_GB1_49 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 422 +OD1_GB1_40 CB_GB1_49 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 422 OD1_GB1_40 CG2_GB1_49 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 424 OD1_GB1_40 O_GB1_49 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 426 OD1_GB1_40 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 428 -OD1_GB1_40 CB_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 430 -OD1_GB1_40 CG_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 431 -OD1_GB1_40 CD_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 432 -OD1_GB1_40 CE_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 433 +OD1_GB1_40 CB_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 430 +OD1_GB1_40 CG_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 431 +OD1_GB1_40 CD_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 432 +OD1_GB1_40 CE_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 433 OD1_GB1_40 O_GB1_50 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 436 OD1_GB1_40 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 438 -OD1_GB1_40 CB_GB1_51 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 440 +OD1_GB1_40 CB_GB1_51 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 440 OD1_GB1_40 CG2_GB1_51 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 442 OD1_GB1_40 O_GB1_51 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 444 OD1_GB1_40 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 446 -OD1_GB1_40 CB_GB1_52 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 448 +OD1_GB1_40 CB_GB1_52 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 448 OD1_GB1_40 O_GB1_52 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 456 OD1_GB1_40 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 458 -OD1_GB1_40 CB_GB1_53 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 460 +OD1_GB1_40 CB_GB1_53 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 460 OD1_GB1_40 CG2_GB1_53 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 462 OD1_GB1_40 O_GB1_53 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 464 OD1_GB1_40 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 466 -OD1_GB1_40 CB_GB1_54 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 468 +OD1_GB1_40 CB_GB1_54 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 468 OD1_GB1_40 CG1_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 469 OD1_GB1_40 CG2_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 470 OD1_GB1_40 O_GB1_54 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 472 OD1_GB1_40 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 474 -OD1_GB1_40 CB_GB1_55 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 476 +OD1_GB1_40 CB_GB1_55 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 476 OD1_GB1_40 CG2_GB1_55 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 478 OD1_GB1_40 O_GB1_55 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 480 OD1_GB1_40 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 482 -OD1_GB1_40 CB_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 484 +OD1_GB1_40 CB_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 484 OD1_GB1_40 CG_GB1_56 1 7.079443e-04 8.953850e-07 ; 3.288530e-01 1.399356e-01 1.704839e-02 6.632309e-04 0.004395 0.001132 True md_ensemble 7 340 485 OD1_GB1_40 CD_GB1_56 1 7.743382e-04 7.232781e-07 ; 3.126529e-01 2.072507e-01 6.285503e-02 2.848671e-04 0.004395 0.011584 True md_ensemble 7 340 486 OD1_GB1_40 OE1_GB1_56 1 5.312159e-04 2.666388e-07 ; 2.819089e-01 2.645810e-01 1.944694e-01 1.152431e-03 0.004395 0.001132 True md_ensemble 7 340 487 @@ -39961,37 +39961,37 @@ OD1_GB1_40 OE2_GB1_56 1 5.312159e-04 2.666388e-07 ; 2.819089e-01 2.645810e- OD1_GB1_40 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 490 OD1_GB1_40 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 340 491 OD2_GB1_40 OD2_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 341 -OD2_GB1_40 C_GB1_40 1 0.000000e+00 6.872657e-07 ; 2.730583e-01 -6.872657e-07 4.856076e-01 5.122947e-01 0.004395 0.001132 True md_ensemble 4 341 342 +OD2_GB1_40 C_GB1_40 1 0.000000e+00 6.872627e-07 ; 2.730582e-01 -6.872627e-07 4.856076e-01 5.122947e-01 0.004395 0.001132 True md_ensemble 4 341 342 OD2_GB1_40 O_GB1_40 1 0.000000e+00 1.554728e-06 ; 2.922803e-01 -1.554728e-06 3.037196e-01 3.402047e-01 0.004395 0.001132 True md_ensemble 5 341 343 OD2_GB1_40 N_GB1_41 1 0.000000e+00 1.788185e-06 ; 2.957077e-01 -1.788185e-06 1.392615e-01 3.313848e-01 0.004395 0.001132 True md_ensemble 5 341 344 -OD2_GB1_40 H_GB1_41 1 0.000000e+00 1.285057e-08 ; 1.959921e-01 -1.285057e-08 2.067905e-02 4.379736e-02 0.004395 0.001132 True md_ensemble 6 341 345 -OD2_GB1_40 CA_GB1_41 1 0.000000e+00 1.731935e-06 ; 2.949212e-01 -1.731935e-06 3.204699e-02 9.350818e-02 0.004395 0.001132 True md_ensemble 6 341 346 +OD2_GB1_40 H_GB1_41 1 0.000000e+00 1.285077e-08 ; 1.959923e-01 -1.285077e-08 2.067905e-02 4.379736e-02 0.004395 0.001132 True md_ensemble 6 341 345 +OD2_GB1_40 CA_GB1_41 1 0.000000e+00 1.731929e-06 ; 2.949211e-01 -1.731929e-06 3.204699e-02 9.350818e-02 0.004395 0.001132 True md_ensemble 6 341 346 OD2_GB1_40 O_GB1_41 1 0.000000e+00 1.463843e-06 ; 2.908168e-01 -1.463843e-06 5.124257e-02 2.713771e-02 0.004395 0.001132 True md_ensemble 7 341 348 OD2_GB1_40 H_GB1_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 350 -OD2_GB1_40 CB_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 352 -OD2_GB1_40 CG_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 353 +OD2_GB1_40 CB_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 352 +OD2_GB1_40 CG_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 353 OD2_GB1_40 OE1_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 355 OD2_GB1_40 OE2_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 356 OD2_GB1_40 O_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 358 OD2_GB1_40 H_GB1_43 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 360 -OD2_GB1_40 CB_GB1_43 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 362 -OD2_GB1_40 CD1_GB1_43 1 0.000000e+00 6.809517e-07 ; 2.728484e-01 -6.809517e-07 4.837277e-03 2.209201e-02 0.004395 0.015244 True md_ensemble 7 341 364 -OD2_GB1_40 NE1_GB1_43 1 0.000000e+00 5.193720e-07 ; 2.667585e-01 -5.193720e-07 5.721815e-03 2.477458e-02 0.004395 0.011584 True md_ensemble 7 341 366 +OD2_GB1_40 CB_GB1_43 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 362 +OD2_GB1_40 CD1_GB1_43 1 0.000000e+00 6.809487e-07 ; 2.728483e-01 -6.809487e-07 4.837277e-03 2.209201e-02 0.004395 0.015244 True md_ensemble 7 341 364 +OD2_GB1_40 NE1_GB1_43 1 0.000000e+00 5.193695e-07 ; 2.667584e-01 -5.193695e-07 5.721815e-03 2.477458e-02 0.004395 0.011584 True md_ensemble 7 341 366 OD2_GB1_40 O_GB1_43 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 373 OD2_GB1_40 H_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 375 -OD2_GB1_40 CB_GB1_44 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 377 +OD2_GB1_40 CB_GB1_44 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 377 OD2_GB1_40 CG2_GB1_44 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 379 OD2_GB1_40 O_GB1_44 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 381 OD2_GB1_40 H_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 383 -OD2_GB1_40 CB_GB1_45 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 385 +OD2_GB1_40 CB_GB1_45 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 385 OD2_GB1_40 O_GB1_45 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 394 OD2_GB1_40 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 396 -OD2_GB1_40 CB_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 398 +OD2_GB1_40 CB_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 398 OD2_GB1_40 OD1_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 400 OD2_GB1_40 OD2_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 401 OD2_GB1_40 O_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 403 OD2_GB1_40 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 405 -OD2_GB1_40 CB_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 407 +OD2_GB1_40 CB_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 407 OD2_GB1_40 OD1_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 409 OD2_GB1_40 OD2_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 410 OD2_GB1_40 O_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 412 @@ -39999,76 +39999,76 @@ OD2_GB1_40 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e- OD2_GB1_40 CB_GB1_48 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 416 OD2_GB1_40 O_GB1_48 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 418 OD2_GB1_40 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 420 -OD2_GB1_40 CB_GB1_49 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 422 +OD2_GB1_40 CB_GB1_49 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 422 OD2_GB1_40 CG2_GB1_49 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 424 OD2_GB1_40 O_GB1_49 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 426 OD2_GB1_40 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 428 -OD2_GB1_40 CB_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 430 -OD2_GB1_40 CG_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 431 -OD2_GB1_40 CD_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 432 -OD2_GB1_40 CE_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 433 +OD2_GB1_40 CB_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 430 +OD2_GB1_40 CG_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 431 +OD2_GB1_40 CD_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 432 +OD2_GB1_40 CE_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 433 OD2_GB1_40 O_GB1_50 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 436 OD2_GB1_40 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 438 -OD2_GB1_40 CB_GB1_51 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 440 +OD2_GB1_40 CB_GB1_51 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 440 OD2_GB1_40 CG2_GB1_51 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 442 OD2_GB1_40 O_GB1_51 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 444 OD2_GB1_40 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 446 -OD2_GB1_40 CB_GB1_52 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 448 +OD2_GB1_40 CB_GB1_52 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 448 OD2_GB1_40 O_GB1_52 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 456 OD2_GB1_40 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 458 -OD2_GB1_40 CB_GB1_53 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 460 +OD2_GB1_40 CB_GB1_53 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 460 OD2_GB1_40 CG2_GB1_53 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 462 OD2_GB1_40 O_GB1_53 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 464 OD2_GB1_40 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 466 -OD2_GB1_40 CB_GB1_54 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 468 +OD2_GB1_40 CB_GB1_54 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 468 OD2_GB1_40 CG1_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 469 OD2_GB1_40 CG2_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 470 OD2_GB1_40 O_GB1_54 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 472 OD2_GB1_40 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 474 -OD2_GB1_40 CB_GB1_55 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 476 +OD2_GB1_40 CB_GB1_55 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 476 OD2_GB1_40 CG2_GB1_55 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 478 OD2_GB1_40 O_GB1_55 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 480 OD2_GB1_40 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 482 -OD2_GB1_40 CB_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 484 +OD2_GB1_40 CB_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 484 OD2_GB1_40 CG_GB1_56 1 7.079443e-04 8.953850e-07 ; 3.288530e-01 1.399356e-01 1.704839e-02 6.632309e-04 0.004395 0.001132 True md_ensemble 7 341 485 OD2_GB1_40 CD_GB1_56 1 7.743382e-04 7.232781e-07 ; 3.126529e-01 2.072507e-01 6.285503e-02 2.848671e-04 0.004395 0.011584 True md_ensemble 7 341 486 OD2_GB1_40 OE1_GB1_56 1 5.312159e-04 2.666388e-07 ; 2.819089e-01 2.645810e-01 1.944694e-01 1.152431e-03 0.004395 0.001132 True md_ensemble 7 341 487 OD2_GB1_40 OE2_GB1_56 1 5.312159e-04 2.666388e-07 ; 2.819089e-01 2.645810e-01 1.944694e-01 1.152431e-03 0.004395 0.001132 True md_ensemble 7 341 488 OD2_GB1_40 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 490 OD2_GB1_40 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 341 491 - C_GB1_40 CA_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 342 346 - C_GB1_40 O_GB1_41 1 0.000000e+00 5.532170e-07 ; 2.681655e-01 -5.532170e-07 9.997545e-01 6.687451e-01 0.004395 0.001132 True md_ensemble 4 342 348 - C_GB1_40 N_GB1_42 1 0.000000e+00 1.513696e-06 ; 2.916296e-01 -1.513696e-06 9.440624e-01 9.477405e-01 0.004395 0.001132 True md_ensemble 4 342 349 - C_GB1_40 CA_GB1_42 1 0.000000e+00 1.598173e-05 ; 3.549199e-01 -1.598173e-05 5.931629e-01 8.176416e-01 0.004395 0.001132 True md_ensemble 5 342 351 - C_GB1_40 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 342 352 - C_GB1_40 CG_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 342 353 + C_GB1_40 CA_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 342 346 + C_GB1_40 O_GB1_41 1 0.000000e+00 5.532144e-07 ; 2.681654e-01 -5.532144e-07 9.997545e-01 6.687451e-01 0.004395 0.001132 True md_ensemble 4 342 348 + C_GB1_40 N_GB1_42 1 0.000000e+00 1.513675e-06 ; 2.916292e-01 -1.513675e-06 9.440624e-01 9.477405e-01 0.004395 0.001132 True md_ensemble 4 342 349 + C_GB1_40 CA_GB1_42 1 0.000000e+00 1.598165e-05 ; 3.549197e-01 -1.598165e-05 5.931629e-01 8.176416e-01 0.004395 0.001132 True md_ensemble 5 342 351 + C_GB1_40 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 342 352 + C_GB1_40 CG_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 342 353 C_GB1_40 C_GB1_42 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 4.800000e-07 7.018251e-02 0.004395 0.001132 True md_ensemble 6 342 357 - C_GB1_40 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 342 362 + C_GB1_40 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 342 362 C_GB1_40 CD1_GB1_43 1 3.665605e-03 1.764658e-05 ; 4.109155e-01 1.903578e-01 1.612447e-01 5.425379e-02 0.004395 0.015243 True md_ensemble 7 342 364 C_GB1_40 NE1_GB1_43 1 1.980203e-03 4.857396e-06 ; 3.672391e-01 2.018162e-01 2.050222e-01 4.198207e-02 0.004395 0.011584 True md_ensemble 7 342 366 C_GB1_40 CE2_GB1_43 1 2.242810e-03 1.458898e-05 ; 4.320547e-01 8.619858e-02 1.065493e-02 2.699637e-02 0.004395 0.015243 True md_ensemble 7 342 367 - C_GB1_40 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 342 377 - C_GB1_40 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 342 379 - C_GB1_40 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 342 385 - C_GB1_40 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 342 398 - C_GB1_40 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 342 407 - C_GB1_40 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 342 416 - C_GB1_40 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 342 422 - C_GB1_40 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 342 424 - C_GB1_40 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 342 430 - C_GB1_40 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 342 431 - C_GB1_40 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 342 432 - C_GB1_40 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 342 433 - C_GB1_40 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 342 440 - C_GB1_40 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 342 442 - C_GB1_40 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 342 448 - C_GB1_40 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 342 460 - C_GB1_40 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 342 462 + C_GB1_40 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 342 377 + C_GB1_40 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 342 379 + C_GB1_40 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 342 385 + C_GB1_40 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 342 398 + C_GB1_40 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 342 407 + C_GB1_40 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 342 416 + C_GB1_40 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 342 422 + C_GB1_40 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 342 424 + C_GB1_40 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 342 430 + C_GB1_40 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 342 431 + C_GB1_40 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 342 432 + C_GB1_40 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 342 433 + C_GB1_40 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 342 440 + C_GB1_40 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 342 442 + C_GB1_40 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 342 448 + C_GB1_40 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 342 460 + C_GB1_40 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 342 462 C_GB1_40 CB_GB1_54 1 1.105054e-02 1.523650e-04 ; 4.896852e-01 2.003650e-01 5.500176e-02 3.557952e-04 0.004395 0.001132 True md_ensemble 7 342 468 C_GB1_40 CG1_GB1_54 1 4.239645e-03 1.480669e-05 ; 3.895125e-01 3.034877e-01 4.059386e-01 2.794778e-04 0.004395 0.001132 True md_ensemble 7 342 469 C_GB1_40 CG2_GB1_54 1 3.251532e-03 1.035171e-05 ; 3.835488e-01 2.553313e-01 1.596178e-01 2.885968e-04 0.004395 0.001132 True md_ensemble 7 342 470 - C_GB1_40 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 342 476 - C_GB1_40 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 342 478 + C_GB1_40 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 342 476 + C_GB1_40 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 342 478 C_GB1_40 CA_GB1_56 1 1.144413e-02 1.022933e-04 ; 4.555584e-01 3.200800e-01 5.599303e-01 5.368766e-04 0.004395 0.008482 True md_ensemble 7 342 483 C_GB1_40 CB_GB1_56 1 6.528299e-03 3.413858e-05 ; 4.166208e-01 3.121006e-01 4.796930e-01 1.574733e-04 0.004395 0.001132 True md_ensemble 7 342 484 C_GB1_40 CG_GB1_56 1 3.176193e-03 7.378563e-06 ; 3.639241e-01 3.418077e-01 8.531742e-01 3.201624e-04 0.004395 0.001132 True md_ensemble 7 342 485 @@ -40078,11 +40078,11 @@ OD2_GB1_40 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- O_GB1_40 O_GB1_40 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 343 343 O_GB1_40 H_GB1_41 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 343 345 O_GB1_40 CA_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 343 346 - O_GB1_40 C_GB1_41 1 0.000000e+00 8.249363e-07 ; 2.772448e-01 -8.249363e-07 9.999697e-01 9.975432e-01 0.004395 0.001132 True md_ensemble 4 343 347 + O_GB1_40 C_GB1_41 1 0.000000e+00 8.249325e-07 ; 2.772447e-01 -8.249325e-07 9.999697e-01 9.975432e-01 0.004395 0.001132 True md_ensemble 4 343 347 O_GB1_40 O_GB1_41 1 0.000000e+00 1.088260e-06 ; 2.837196e-01 -1.088260e-06 9.830703e-01 7.085772e-01 0.004395 0.001132 True md_ensemble 5 343 348 O_GB1_40 N_GB1_42 1 0.000000e+00 1.392469e-06 ; 2.896079e-01 -1.392469e-06 9.122652e-01 8.405778e-01 0.004395 0.001132 True md_ensemble 5 343 349 O_GB1_40 H_GB1_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 343 350 - O_GB1_40 CA_GB1_42 1 0.000000e+00 4.566204e-06 ; 3.197358e-01 -4.566204e-06 3.030825e-01 4.024469e-01 0.004395 0.001132 True md_ensemble 6 343 351 + O_GB1_40 CA_GB1_42 1 0.000000e+00 4.566240e-06 ; 3.197360e-01 -4.566240e-06 3.030825e-01 4.024469e-01 0.004395 0.001132 True md_ensemble 6 343 351 O_GB1_40 CB_GB1_42 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 1.712500e-06 7.603685e-02 0.004395 0.007862 True md_ensemble 7 343 352 O_GB1_40 CG_GB1_42 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 1.248960e-03 1.013724e-01 0.004395 0.007862 True md_ensemble 7 343 353 O_GB1_40 OE1_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 343 355 @@ -40090,7 +40090,7 @@ OD2_GB1_40 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- O_GB1_40 O_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 343 358 O_GB1_40 H_GB1_43 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 343 360 O_GB1_40 CB_GB1_43 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.867028e-02 0.004395 0.007862 True md_ensemble 7 343 362 - O_GB1_40 CG_GB1_43 1 0.000000e+00 8.499064e-07 ; 2.779346e-01 -8.499064e-07 6.826027e-03 3.459526e-02 0.004395 0.015244 True md_ensemble 7 343 363 + O_GB1_40 CG_GB1_43 1 0.000000e+00 8.499025e-07 ; 2.779345e-01 -8.499025e-07 6.826027e-03 3.459526e-02 0.004395 0.015244 True md_ensemble 7 343 363 O_GB1_40 CD1_GB1_43 1 7.165098e-04 5.791953e-07 ; 3.052112e-01 2.215946e-01 2.694554e-01 4.948679e-02 0.004395 0.015244 True md_ensemble 7 343 364 O_GB1_40 NE1_GB1_43 1 2.396658e-04 6.515205e-08 ; 2.545191e-01 2.204064e-01 2.922379e-01 4.173642e-02 0.004395 0.011584 True md_ensemble 7 343 366 O_GB1_40 CE2_GB1_43 1 1.637337e-03 3.168579e-06 ; 3.530106e-01 2.115201e-01 1.523400e-01 3.401136e-02 0.004395 0.015244 True md_ensemble 7 343 367 @@ -40157,52 +40157,52 @@ OD2_GB1_40 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- O_GB1_40 OE2_GB1_56 1 7.003576e-04 5.123863e-07 ; 3.001785e-01 2.393217e-01 1.170343e-01 9.008597e-04 0.004395 0.001132 True md_ensemble 7 343 488 O_GB1_40 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 343 490 O_GB1_40 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 343 491 - N_GB1_41 CA_GB1_41 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 344 346 - N_GB1_41 CA_GB1_42 1 0.000000e+00 7.574883e-06 ; 3.335106e-01 -7.574883e-06 9.999900e-01 9.999753e-01 0.004395 0.001132 True md_ensemble 4 344 351 - N_GB1_41 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 344 352 - N_GB1_41 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 344 353 + N_GB1_41 CA_GB1_41 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 344 346 + N_GB1_41 CA_GB1_42 1 0.000000e+00 7.574872e-06 ; 3.335106e-01 -7.574872e-06 9.999900e-01 9.999753e-01 0.004395 0.001132 True md_ensemble 4 344 351 + N_GB1_41 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 344 352 + N_GB1_41 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 344 353 N_GB1_41 C_GB1_42 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 1.545325e-04 9.566480e-02 0.004395 0.001132 True md_ensemble 5 344 357 N_GB1_41 O_GB1_42 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 1.926525e-04 9.604423e-02 0.004395 0.001132 True md_ensemble 6 344 358 N_GB1_41 N_GB1_43 1 0.000000e+00 8.752940e-07 ; 2.786171e-01 -8.752940e-07 0.000000e+00 1.213628e-01 0.004395 0.001132 True md_ensemble 6 344 359 - N_GB1_41 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 344 362 + N_GB1_41 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 344 362 N_GB1_41 CD1_GB1_43 1 1.097097e-03 3.868495e-06 ; 3.901361e-01 7.778359e-02 1.372460e-02 4.093513e-02 0.004395 0.015244 True md_ensemble 7 344 364 N_GB1_41 NE1_GB1_43 1 1.100500e-03 2.483282e-06 ; 3.621646e-01 1.219254e-01 3.369194e-02 3.245722e-02 0.004395 0.011584 True md_ensemble 7 344 366 N_GB1_41 N_GB1_44 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 2.760822e-03 0.004395 0.001132 True md_ensemble 7 344 374 - N_GB1_41 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 344 377 - N_GB1_41 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 344 379 + N_GB1_41 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 344 377 + N_GB1_41 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 344 379 N_GB1_41 N_GB1_45 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 3.127093e-04 0.004395 0.001132 True md_ensemble 7 344 382 - N_GB1_41 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 344 385 + N_GB1_41 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 344 385 N_GB1_41 N_GB1_46 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 9.996089e-05 0.004395 0.001132 True md_ensemble 7 344 395 - N_GB1_41 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 344 398 + N_GB1_41 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 344 398 N_GB1_41 N_GB1_47 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 344 404 - N_GB1_41 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 344 407 + N_GB1_41 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 344 407 N_GB1_41 N_GB1_48 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.019647e-04 0.004395 0.001132 True md_ensemble 7 344 413 - N_GB1_41 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 344 416 + N_GB1_41 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 344 416 N_GB1_41 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 344 419 - N_GB1_41 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 344 422 - N_GB1_41 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 344 424 + N_GB1_41 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 344 422 + N_GB1_41 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 344 424 N_GB1_41 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 344 427 - N_GB1_41 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 344 430 - N_GB1_41 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 344 431 - N_GB1_41 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 344 432 - N_GB1_41 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 344 433 + N_GB1_41 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 344 430 + N_GB1_41 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 344 431 + N_GB1_41 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 344 432 + N_GB1_41 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 344 433 N_GB1_41 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 2.000563e-04 0.004395 0.001132 True md_ensemble 7 344 434 N_GB1_41 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 344 437 - N_GB1_41 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 344 440 - N_GB1_41 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 344 442 + N_GB1_41 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 344 440 + N_GB1_41 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 344 442 N_GB1_41 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 3.959855e-06 0.004395 0.001132 True md_ensemble 7 344 445 - N_GB1_41 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 344 448 + N_GB1_41 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 344 448 N_GB1_41 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 344 457 - N_GB1_41 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 344 460 - N_GB1_41 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 344 462 + N_GB1_41 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 344 460 + N_GB1_41 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 344 462 N_GB1_41 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.372712e-06 0.004395 0.001132 True md_ensemble 7 344 465 N_GB1_41 CB_GB1_54 1 9.659710e-03 9.499883e-05 ; 4.628700e-01 2.455556e-01 1.320657e-01 1.978642e-04 0.004395 0.001132 True md_ensemble 7 344 468 N_GB1_41 CG1_GB1_54 1 2.355730e-03 4.217375e-06 ; 3.484599e-01 3.289642e-01 6.651529e-01 1.077060e-04 0.004395 0.001132 True md_ensemble 7 344 469 N_GB1_41 CG2_GB1_54 1 1.822613e-03 3.060618e-06 ; 3.447618e-01 2.713438e-01 2.177079e-01 9.947799e-05 0.004395 0.001132 True md_ensemble 7 344 470 N_GB1_41 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 3.111750e-05 1.317336e-05 0.004395 0.001132 True md_ensemble 7 344 473 N_GB1_41 CA_GB1_55 1 5.881201e-03 6.692528e-05 ; 4.742646e-01 1.292057e-01 1.384712e-02 3.557863e-05 0.004395 0.008482 True md_ensemble 7 344 475 - N_GB1_41 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 344 476 - N_GB1_41 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 344 478 + N_GB1_41 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 344 476 + N_GB1_41 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 344 478 N_GB1_41 C_GB1_55 1 4.500161e-03 2.199147e-05 ; 4.119435e-01 2.302193e-01 9.810458e-02 4.584636e-05 0.004395 0.011584 True md_ensemble 7 344 479 N_GB1_41 O_GB1_55 1 4.861503e-03 1.838397e-05 ; 3.947100e-01 3.213969e-01 5.744076e-01 3.076145e-04 0.004395 0.011584 True md_ensemble 7 344 480 N_GB1_41 N_GB1_56 1 2.640009e-03 9.547453e-06 ; 3.917843e-01 1.825002e-01 3.890368e-02 0.000000e+00 0.004395 0.001132 True md_ensemble 7 344 481 @@ -40213,7 +40213,7 @@ OD2_GB1_40 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- N_GB1_41 OE1_GB1_56 1 4.616986e-04 1.760859e-07 ; 2.692946e-01 3.026442e-01 3.993561e-01 1.088480e-03 0.004395 0.011584 True md_ensemble 7 344 487 N_GB1_41 OE2_GB1_56 1 4.616986e-04 1.760859e-07 ; 2.692946e-01 3.026442e-01 3.993561e-01 1.088480e-03 0.004395 0.011584 True md_ensemble 7 344 488 H_GB1_41 H_GB1_41 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 345 345 - H_GB1_41 O_GB1_41 1 0.000000e+00 1.634518e-08 ; 1.999605e-01 -1.634518e-08 1.652321e-01 2.186589e-01 0.004395 0.001132 True md_ensemble 4 345 348 + H_GB1_41 O_GB1_41 1 0.000000e+00 1.634544e-08 ; 1.999607e-01 -1.634544e-08 1.652321e-01 2.186589e-01 0.004395 0.001132 True md_ensemble 4 345 348 H_GB1_41 H_GB1_42 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 345 350 H_GB1_41 OE1_GB1_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 345 355 H_GB1_41 OE2_GB1_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 345 356 @@ -40259,65 +40259,65 @@ OD2_GB1_40 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- H_GB1_41 OE2_GB1_56 1 1.054028e-05 1.169192e-10 ; 1.493387e-01 2.375518e-01 1.130872e-01 1.651011e-04 0.004395 0.020721 True md_ensemble 7 345 488 H_GB1_41 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 345 490 H_GB1_41 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 345 491 - CA_GB1_41 C_GB1_41 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 347 + CA_GB1_41 C_GB1_41 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 347 CA_GB1_41 O_GB1_41 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 348 - CA_GB1_41 N_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 349 - CA_GB1_41 CB_GB1_42 1 0.000000e+00 1.543894e-05 ; 3.538994e-01 -1.543894e-05 9.999977e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 346 352 - CA_GB1_41 CG_GB1_42 1 0.000000e+00 2.280146e-05 ; 3.655880e-01 -2.280146e-05 2.591301e-01 7.360141e-01 0.004395 0.001132 True md_ensemble 5 346 353 - CA_GB1_41 CD_GB1_42 1 0.000000e+00 6.336095e-06 ; 3.285843e-01 -6.336095e-06 1.819390e-02 1.853087e-02 0.004395 0.001132 True md_ensemble 6 346 354 + CA_GB1_41 N_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 349 + CA_GB1_41 CB_GB1_42 1 0.000000e+00 1.543869e-05 ; 3.538989e-01 -1.543869e-05 9.999977e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 346 352 + CA_GB1_41 CG_GB1_42 1 0.000000e+00 2.280110e-05 ; 3.655875e-01 -2.280110e-05 2.591301e-01 7.360141e-01 0.004395 0.001132 True md_ensemble 5 346 353 + CA_GB1_41 CD_GB1_42 1 0.000000e+00 6.335989e-06 ; 3.285838e-01 -6.335989e-06 1.819390e-02 1.853087e-02 0.004395 0.001132 True md_ensemble 6 346 354 CA_GB1_41 OE1_GB1_42 1 5.465295e-04 9.509466e-07 ; 3.468091e-01 7.852556e-02 5.184835e-03 5.499696e-03 0.004395 0.009458 True md_ensemble 7 346 355 CA_GB1_41 OE2_GB1_42 1 5.465295e-04 9.509466e-07 ; 3.468091e-01 7.852556e-02 5.184835e-03 5.499696e-03 0.004395 0.009458 True md_ensemble 7 346 356 - CA_GB1_41 C_GB1_42 1 0.000000e+00 6.333693e-06 ; 3.285739e-01 -6.333693e-06 9.999943e-01 9.999520e-01 0.004395 0.001132 True md_ensemble 4 346 357 - CA_GB1_41 O_GB1_42 1 0.000000e+00 1.008414e-06 ; 2.819237e-01 -1.008414e-06 7.065086e-01 2.067991e-01 0.004395 0.001132 True md_ensemble 5 346 358 - CA_GB1_41 N_GB1_43 1 0.000000e+00 5.932173e-06 ; 3.267855e-01 -5.932173e-06 4.912263e-02 6.628444e-01 0.004395 0.001132 True md_ensemble 5 346 359 - CA_GB1_41 CA_GB1_43 1 0.000000e+00 4.918292e-05 ; 3.897740e-01 -4.918292e-05 5.771662e-02 6.036856e-01 0.004395 0.001132 True md_ensemble 6 346 361 + CA_GB1_41 C_GB1_42 1 0.000000e+00 6.333587e-06 ; 3.285735e-01 -6.333587e-06 9.999943e-01 9.999520e-01 0.004395 0.001132 True md_ensemble 4 346 357 + CA_GB1_41 O_GB1_42 1 0.000000e+00 1.008410e-06 ; 2.819236e-01 -1.008410e-06 7.065086e-01 2.067991e-01 0.004395 0.001132 True md_ensemble 5 346 358 + CA_GB1_41 N_GB1_43 1 0.000000e+00 5.932095e-06 ; 3.267852e-01 -5.932095e-06 4.912263e-02 6.628444e-01 0.004395 0.001132 True md_ensemble 5 346 359 + CA_GB1_41 CA_GB1_43 1 0.000000e+00 4.918271e-05 ; 3.897739e-01 -4.918271e-05 5.771662e-02 6.036856e-01 0.004395 0.001132 True md_ensemble 6 346 361 CA_GB1_41 CD1_GB1_43 1 4.860091e-03 3.266938e-05 ; 4.344263e-01 1.807540e-01 4.017267e-01 1.298016e-01 0.004395 0.012152 True md_ensemble 7 346 364 CA_GB1_41 NE1_GB1_43 1 3.087989e-03 1.635660e-05 ; 4.175126e-01 1.457466e-01 2.010077e-01 9.963672e-02 0.004395 0.009458 True md_ensemble 7 346 366 - CA_GB1_41 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 372 + CA_GB1_41 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 372 CA_GB1_41 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 373 - CA_GB1_41 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 374 - CA_GB1_41 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 378 - CA_GB1_41 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 380 + CA_GB1_41 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 374 + CA_GB1_41 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 378 + CA_GB1_41 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 380 CA_GB1_41 O_GB1_44 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 381 - CA_GB1_41 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 382 - CA_GB1_41 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 392 - CA_GB1_41 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 393 + CA_GB1_41 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 382 + CA_GB1_41 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 392 + CA_GB1_41 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 393 CA_GB1_41 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 394 - CA_GB1_41 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 395 - CA_GB1_41 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 399 - CA_GB1_41 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 400 - CA_GB1_41 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 401 - CA_GB1_41 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 402 + CA_GB1_41 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 395 + CA_GB1_41 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 399 + CA_GB1_41 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 400 + CA_GB1_41 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 401 + CA_GB1_41 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 402 CA_GB1_41 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 403 - CA_GB1_41 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 404 - CA_GB1_41 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 408 - CA_GB1_41 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 409 - CA_GB1_41 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 410 - CA_GB1_41 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 411 + CA_GB1_41 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 404 + CA_GB1_41 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 408 + CA_GB1_41 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 409 + CA_GB1_41 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 410 + CA_GB1_41 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 411 CA_GB1_41 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 412 - CA_GB1_41 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 413 - CA_GB1_41 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 417 + CA_GB1_41 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 413 + CA_GB1_41 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 417 CA_GB1_41 O_GB1_48 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 418 - CA_GB1_41 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 419 - CA_GB1_41 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 423 - CA_GB1_41 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 425 + CA_GB1_41 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 419 + CA_GB1_41 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 423 + CA_GB1_41 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 425 CA_GB1_41 O_GB1_49 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 426 - CA_GB1_41 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 427 - CA_GB1_41 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 434 - CA_GB1_41 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 435 + CA_GB1_41 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 427 + CA_GB1_41 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 434 + CA_GB1_41 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 435 CA_GB1_41 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 436 - CA_GB1_41 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 437 - CA_GB1_41 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 441 - CA_GB1_41 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 443 + CA_GB1_41 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 437 + CA_GB1_41 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 441 + CA_GB1_41 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 443 CA_GB1_41 O_GB1_51 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 444 - CA_GB1_41 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 445 - CA_GB1_41 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 455 + CA_GB1_41 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 445 + CA_GB1_41 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 455 CA_GB1_41 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 456 - CA_GB1_41 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 457 - CA_GB1_41 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 461 - CA_GB1_41 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 463 + CA_GB1_41 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 457 + CA_GB1_41 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 461 + CA_GB1_41 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 463 CA_GB1_41 O_GB1_53 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 464 - CA_GB1_41 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 465 + CA_GB1_41 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 465 CA_GB1_41 CA_GB1_54 1 1.850146e-02 2.501488e-04 ; 4.880887e-01 3.421005e-01 8.580303e-01 9.951626e-04 0.004395 0.007117 True md_ensemble 7 346 467 CA_GB1_41 CB_GB1_54 1 1.557738e-02 1.753518e-04 ; 4.734084e-01 3.459541e-01 9.245733e-01 1.711038e-03 0.004395 0.007117 True md_ensemble 7 346 468 CA_GB1_41 CG1_GB1_54 1 2.236919e-03 3.728239e-06 ; 3.443306e-01 3.355341e-01 7.554866e-01 1.130468e-03 0.004395 0.012151 True md_ensemble 7 346 469 @@ -40327,7 +40327,7 @@ OD2_GB1_40 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- CA_GB1_41 N_GB1_55 1 4.838656e-03 1.714108e-05 ; 3.904381e-01 3.414690e-01 8.475914e-01 3.035564e-04 0.004395 0.009458 True md_ensemble 7 346 473 CA_GB1_41 CA_GB1_55 1 8.744651e-03 5.463757e-05 ; 4.291655e-01 3.498917e-01 9.979023e-01 1.440494e-03 0.004395 0.007117 True md_ensemble 7 346 475 CA_GB1_41 CB_GB1_55 1 2.574195e-02 5.198853e-04 ; 5.218484e-01 3.186511e-01 5.446356e-01 2.298680e-03 0.004395 0.007117 True md_ensemble 7 346 476 - CA_GB1_41 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 477 + CA_GB1_41 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 346 477 CA_GB1_41 C_GB1_55 1 2.027367e-03 2.936280e-06 ; 3.363650e-01 3.499509e-01 9.990494e-01 1.066456e-03 0.004395 0.009458 True md_ensemble 7 346 479 CA_GB1_41 O_GB1_55 1 7.386984e-04 3.898302e-07 ; 2.842724e-01 3.499442e-01 9.989197e-01 8.999134e-04 0.004395 0.009458 True md_ensemble 7 346 480 CA_GB1_41 N_GB1_56 1 2.729162e-03 5.328036e-06 ; 3.535273e-01 3.494873e-01 9.901119e-01 1.998240e-04 0.004395 0.009458 True md_ensemble 7 346 481 @@ -40340,36 +40340,36 @@ OD2_GB1_40 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- CA_GB1_41 C_GB1_56 1 1.003651e-02 7.832278e-05 ; 4.453665e-01 3.215270e-01 5.758578e-01 9.064330e-04 0.004395 0.009458 True md_ensemble 7 346 489 CA_GB1_41 O1_GB1_56 1 1.135006e-03 2.139389e-06 ; 3.514649e-01 1.505381e-01 2.093798e-02 4.012043e-04 0.004395 0.009458 True md_ensemble 7 346 490 CA_GB1_41 O2_GB1_56 1 1.135006e-03 2.139389e-06 ; 3.514649e-01 1.505381e-01 2.093798e-02 4.012043e-04 0.004395 0.009458 True md_ensemble 7 346 491 - C_GB1_41 CB_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 347 352 - C_GB1_41 CG_GB1_42 1 0.000000e+00 6.332568e-06 ; 3.285691e-01 -6.332568e-06 9.997299e-01 9.995100e-01 0.004395 0.001132 True md_ensemble 4 347 353 - C_GB1_41 CD_GB1_42 1 0.000000e+00 2.789295e-06 ; 3.068689e-01 -2.789295e-06 6.837267e-02 1.417687e-01 0.004395 0.001132 True md_ensemble 5 347 354 - C_GB1_41 OE1_GB1_42 1 0.000000e+00 6.693959e-07 ; 2.724595e-01 -6.693959e-07 1.629557e-02 1.628745e-02 0.004395 0.001132 True md_ensemble 6 347 355 - C_GB1_41 OE2_GB1_42 1 0.000000e+00 6.693959e-07 ; 2.724595e-01 -6.693959e-07 1.629557e-02 1.628745e-02 0.004395 0.001132 True md_ensemble 6 347 356 - C_GB1_41 O_GB1_42 1 0.000000e+00 6.913869e-07 ; 2.731944e-01 -6.913869e-07 9.999291e-01 8.360049e-01 0.004395 0.001132 True md_ensemble 4 347 358 - C_GB1_41 N_GB1_43 1 0.000000e+00 1.476769e-06 ; 2.910300e-01 -1.476769e-06 9.991748e-01 9.783682e-01 0.004395 0.001132 True md_ensemble 4 347 359 - C_GB1_41 CA_GB1_43 1 0.000000e+00 1.197021e-05 ; 3.464736e-01 -1.197021e-05 9.758681e-01 8.929943e-01 0.004395 0.001132 True md_ensemble 5 347 361 - C_GB1_41 CB_GB1_43 1 0.000000e+00 8.144104e-06 ; 3.355305e-01 -8.144104e-06 6.244872e-03 2.920286e-01 0.004395 0.001132 True md_ensemble 6 347 362 + C_GB1_41 CB_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 347 352 + C_GB1_41 CG_GB1_42 1 0.000000e+00 6.332462e-06 ; 3.285686e-01 -6.332462e-06 9.997299e-01 9.995100e-01 0.004395 0.001132 True md_ensemble 4 347 353 + C_GB1_41 CD_GB1_42 1 0.000000e+00 2.789245e-06 ; 3.068684e-01 -2.789245e-06 6.837267e-02 1.417687e-01 0.004395 0.001132 True md_ensemble 5 347 354 + C_GB1_41 OE1_GB1_42 1 0.000000e+00 6.693930e-07 ; 2.724594e-01 -6.693930e-07 1.629557e-02 1.628745e-02 0.004395 0.001132 True md_ensemble 6 347 355 + C_GB1_41 OE2_GB1_42 1 0.000000e+00 6.693930e-07 ; 2.724594e-01 -6.693930e-07 1.629557e-02 1.628745e-02 0.004395 0.001132 True md_ensemble 6 347 356 + C_GB1_41 O_GB1_42 1 0.000000e+00 6.913837e-07 ; 2.731943e-01 -6.913837e-07 9.999291e-01 8.360049e-01 0.004395 0.001132 True md_ensemble 4 347 358 + C_GB1_41 N_GB1_43 1 0.000000e+00 1.476749e-06 ; 2.910296e-01 -1.476749e-06 9.991748e-01 9.783682e-01 0.004395 0.001132 True md_ensemble 4 347 359 + C_GB1_41 CA_GB1_43 1 0.000000e+00 1.197015e-05 ; 3.464734e-01 -1.197015e-05 9.758681e-01 8.929943e-01 0.004395 0.001132 True md_ensemble 5 347 361 + C_GB1_41 CB_GB1_43 1 0.000000e+00 8.143967e-06 ; 3.355300e-01 -8.143967e-06 6.244872e-03 2.920286e-01 0.004395 0.001132 True md_ensemble 6 347 362 C_GB1_41 CG_GB1_43 1 2.139573e-03 1.423220e-05 ; 4.336681e-01 8.041226e-02 4.126943e-02 1.169748e-01 0.004395 0.015243 True md_ensemble 7 347 363 C_GB1_41 CD1_GB1_43 1 2.440152e-03 6.515712e-06 ; 3.724696e-01 2.284608e-01 9.517159e-01 1.530037e-01 0.004395 0.015243 True md_ensemble 7 347 364 C_GB1_41 NE1_GB1_43 1 2.803506e-03 9.989839e-06 ; 3.908194e-01 1.966910e-01 3.873438e-01 8.759981e-02 0.004395 0.011584 True md_ensemble 7 347 366 C_GB1_41 C_GB1_43 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 0.000000e+00 2.015698e-01 0.004395 0.001132 True md_ensemble 6 347 372 - C_GB1_41 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 347 377 - C_GB1_41 CG2_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 347 379 - C_GB1_41 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 347 385 - C_GB1_41 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 347 398 - C_GB1_41 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 347 407 - C_GB1_41 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 347 416 - C_GB1_41 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 347 422 - C_GB1_41 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 347 424 - C_GB1_41 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 347 430 - C_GB1_41 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 347 431 - C_GB1_41 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 347 432 - C_GB1_41 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 347 433 - C_GB1_41 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 347 440 - C_GB1_41 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 347 442 - C_GB1_41 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 347 448 - C_GB1_41 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 347 460 - C_GB1_41 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 347 462 + C_GB1_41 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 347 377 + C_GB1_41 CG2_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 347 379 + C_GB1_41 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 347 385 + C_GB1_41 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 347 398 + C_GB1_41 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 347 407 + C_GB1_41 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 347 416 + C_GB1_41 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 347 422 + C_GB1_41 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 347 424 + C_GB1_41 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 347 430 + C_GB1_41 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 347 431 + C_GB1_41 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 347 432 + C_GB1_41 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 347 433 + C_GB1_41 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 347 440 + C_GB1_41 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 347 442 + C_GB1_41 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 347 448 + C_GB1_41 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 347 460 + C_GB1_41 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 347 462 C_GB1_41 CA_GB1_54 1 1.334403e-02 1.349337e-04 ; 4.650206e-01 3.299087e-01 6.774414e-01 5.748788e-04 0.004395 0.008482 True md_ensemble 7 347 467 C_GB1_41 CB_GB1_54 1 1.277387e-02 1.218378e-04 ; 4.605145e-01 3.348134e-01 7.450059e-01 5.833368e-04 0.004395 0.001132 True md_ensemble 7 347 468 C_GB1_41 CG1_GB1_54 1 2.025576e-03 3.063382e-06 ; 3.387990e-01 3.348390e-01 7.453751e-01 5.851187e-04 0.004395 0.001132 True md_ensemble 7 347 469 @@ -40378,7 +40378,7 @@ OD2_GB1_40 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- C_GB1_41 N_GB1_55 1 4.333492e-03 1.491500e-05 ; 3.885655e-01 3.147696e-01 5.051625e-01 5.943537e-06 0.004395 0.011584 True md_ensemble 7 347 473 C_GB1_41 CA_GB1_55 1 1.265786e-02 1.158207e-04 ; 4.573384e-01 3.458391e-01 9.225163e-01 3.999707e-04 0.004395 0.008482 True md_ensemble 7 347 475 C_GB1_41 CB_GB1_55 1 9.176214e-03 1.381528e-04 ; 4.969157e-01 1.523727e-01 2.169595e-02 1.018031e-03 0.004395 0.001132 True md_ensemble 7 347 476 - C_GB1_41 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 347 478 + C_GB1_41 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 347 478 C_GB1_41 C_GB1_55 1 4.699466e-03 1.582053e-05 ; 3.871347e-01 3.489924e-01 9.806590e-01 1.702912e-04 0.004395 0.011584 True md_ensemble 7 347 479 C_GB1_41 O_GB1_55 1 1.337865e-03 1.279378e-06 ; 3.138805e-01 3.497567e-01 9.952946e-01 1.915819e-04 0.004395 0.011584 True md_ensemble 7 347 480 C_GB1_41 N_GB1_56 1 4.476487e-03 2.189282e-05 ; 4.119970e-01 2.288300e-01 9.549792e-02 0.000000e+00 0.004395 0.011584 True md_ensemble 7 347 481 @@ -40388,21 +40388,21 @@ OD2_GB1_40 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- C_GB1_41 CD_GB1_56 1 2.287453e-03 1.357077e-05 ; 4.254763e-01 9.639175e-02 7.330475e-03 1.075227e-03 0.004395 0.011584 True md_ensemble 7 347 486 O_GB1_41 O_GB1_41 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 348 348 O_GB1_41 H_GB1_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 348 350 - O_GB1_41 CB_GB1_42 1 0.000000e+00 2.015617e-06 ; 2.986728e-01 -2.015617e-06 1.000000e+00 9.999803e-01 0.004395 0.001132 True md_ensemble 4 348 352 - O_GB1_41 CG_GB1_42 1 0.000000e+00 2.847389e-06 ; 3.073965e-01 -2.847389e-06 2.055683e-01 6.182046e-01 0.004395 0.001132 True md_ensemble 5 348 353 - O_GB1_41 CD_GB1_42 1 0.000000e+00 8.409037e-07 ; 2.776880e-01 -8.409037e-07 2.268043e-02 3.956289e-02 0.004395 0.001132 True md_ensemble 6 348 354 + O_GB1_41 CB_GB1_42 1 0.000000e+00 2.015609e-06 ; 2.986727e-01 -2.015609e-06 1.000000e+00 9.999803e-01 0.004395 0.001132 True md_ensemble 4 348 352 + O_GB1_41 CG_GB1_42 1 0.000000e+00 2.847379e-06 ; 3.073964e-01 -2.847379e-06 2.055683e-01 6.182046e-01 0.004395 0.001132 True md_ensemble 5 348 353 + O_GB1_41 CD_GB1_42 1 0.000000e+00 8.408998e-07 ; 2.776879e-01 -8.408998e-07 2.268043e-02 3.956289e-02 0.004395 0.001132 True md_ensemble 6 348 354 O_GB1_41 OE1_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 348 355 O_GB1_41 OE2_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 348 356 - O_GB1_41 C_GB1_42 1 0.000000e+00 8.223178e-07 ; 2.771713e-01 -8.223178e-07 1.000000e+00 9.944071e-01 0.004395 0.001132 True md_ensemble 4 348 357 + O_GB1_41 C_GB1_42 1 0.000000e+00 8.223140e-07 ; 2.771712e-01 -8.223140e-07 1.000000e+00 9.944071e-01 0.004395 0.001132 True md_ensemble 4 348 357 O_GB1_41 O_GB1_42 1 0.000000e+00 1.309686e-06 ; 2.881325e-01 -1.309686e-06 9.370775e-01 8.102014e-01 0.004395 0.001132 True md_ensemble 5 348 358 O_GB1_41 N_GB1_43 1 0.000000e+00 1.350063e-06 ; 2.888625e-01 -1.350063e-06 9.865872e-01 8.866289e-01 0.004395 0.001132 True md_ensemble 5 348 359 - O_GB1_41 H_GB1_43 1 0.000000e+00 1.763442e-08 ; 2.012296e-01 -1.763442e-08 5.954814e-02 1.960648e-01 0.004395 0.001132 True md_ensemble 6 348 360 - O_GB1_41 CA_GB1_43 1 0.000000e+00 3.888594e-06 ; 3.154843e-01 -3.888594e-06 6.428943e-01 5.791166e-01 0.004395 0.001132 True md_ensemble 6 348 361 - O_GB1_41 CB_GB1_43 1 0.000000e+00 2.166014e-06 ; 3.004693e-01 -2.166014e-06 4.499238e-02 1.195873e-01 0.004395 0.007862 True md_ensemble 7 348 362 + O_GB1_41 H_GB1_43 1 0.000000e+00 1.763470e-08 ; 2.012298e-01 -1.763470e-08 5.954814e-02 1.960648e-01 0.004395 0.001132 True md_ensemble 6 348 360 + O_GB1_41 CA_GB1_43 1 0.000000e+00 3.888625e-06 ; 3.154845e-01 -3.888625e-06 6.428943e-01 5.791166e-01 0.004395 0.001132 True md_ensemble 6 348 361 + O_GB1_41 CB_GB1_43 1 0.000000e+00 2.166006e-06 ; 3.004692e-01 -2.166006e-06 4.499238e-02 1.195873e-01 0.004395 0.007862 True md_ensemble 7 348 362 O_GB1_41 CG_GB1_43 1 2.290727e-03 7.406708e-06 ; 3.845404e-01 1.771175e-01 2.219413e-01 9.652673e-02 0.004395 0.015244 True md_ensemble 7 348 363 O_GB1_41 CD1_GB1_43 1 6.704117e-04 4.735125e-07 ; 2.984226e-01 2.372967e-01 9.440104e-01 1.278792e-01 0.004395 0.015244 True md_ensemble 7 348 364 O_GB1_41 NE1_GB1_43 1 1.027107e-03 1.170429e-06 ; 3.231878e-01 2.253337e-01 6.773852e-01 8.792972e-02 0.004395 0.011584 True md_ensemble 7 348 366 - O_GB1_41 CE2_GB1_43 1 0.000000e+00 8.798709e-07 ; 2.787383e-01 -8.798709e-07 9.447302e-03 7.345179e-02 0.004395 0.015244 True md_ensemble 7 348 367 + O_GB1_41 CE2_GB1_43 1 0.000000e+00 8.798668e-07 ; 2.787382e-01 -8.798668e-07 9.447302e-03 7.345179e-02 0.004395 0.015244 True md_ensemble 7 348 367 O_GB1_41 O_GB1_43 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 348 373 O_GB1_41 H_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 348 375 O_GB1_41 CB_GB1_44 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.585201e-01 0.004395 0.007862 True md_ensemble 7 348 377 @@ -40463,46 +40463,46 @@ OD2_GB1_40 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- O_GB1_41 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 348 488 O_GB1_41 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 348 490 O_GB1_41 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 348 491 - N_GB1_42 CB_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 349 352 - N_GB1_42 CG_GB1_42 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 349 353 - N_GB1_42 CD_GB1_42 1 0.000000e+00 1.958467e-06 ; 2.979577e-01 -1.958467e-06 4.449626e-01 7.435525e-01 0.004395 0.001132 True md_ensemble 4 349 354 + N_GB1_42 CB_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 349 352 + N_GB1_42 CG_GB1_42 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 349 353 + N_GB1_42 CD_GB1_42 1 0.000000e+00 1.958439e-06 ; 2.979574e-01 -1.958439e-06 4.449626e-01 7.435525e-01 0.004395 0.001132 True md_ensemble 4 349 354 N_GB1_42 OE1_GB1_42 1 0.000000e+00 1.566247e-06 ; 2.924601e-01 -1.566247e-06 1.266104e-01 1.707748e-01 0.004395 0.001132 True md_ensemble 5 349 355 N_GB1_42 OE2_GB1_42 1 0.000000e+00 1.566247e-06 ; 2.924601e-01 -1.566247e-06 1.266104e-01 1.707748e-01 0.004395 0.001132 True md_ensemble 5 349 356 - N_GB1_42 CA_GB1_43 1 0.000000e+00 7.574889e-06 ; 3.335106e-01 -7.574889e-06 1.000000e+00 9.999860e-01 0.004395 0.001132 True md_ensemble 4 349 361 - N_GB1_42 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 349 362 + N_GB1_42 CA_GB1_43 1 0.000000e+00 7.574877e-06 ; 3.335106e-01 -7.574877e-06 1.000000e+00 9.999860e-01 0.004395 0.001132 True md_ensemble 4 349 361 + N_GB1_42 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 349 362 N_GB1_42 CG_GB1_43 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 2.812547e-03 8.045035e-02 0.004395 0.001132 True md_ensemble 6 349 363 N_GB1_42 CD1_GB1_43 1 2.494967e-03 8.315920e-06 ; 3.864924e-01 1.871369e-01 3.931795e-01 1.408166e-01 0.004395 0.015244 True md_ensemble 7 349 364 N_GB1_42 NE1_GB1_43 1 1.573592e-03 6.203164e-06 ; 3.974540e-01 9.979554e-02 1.401018e-02 2.072611e-02 0.004395 0.011584 True md_ensemble 7 349 366 N_GB1_42 C_GB1_43 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 0.000000e+00 1.183006e-01 0.004395 0.001132 True md_ensemble 5 349 372 N_GB1_42 O_GB1_43 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 0.000000e+00 1.661926e-01 0.004395 0.001132 True md_ensemble 6 349 373 N_GB1_42 N_GB1_44 1 0.000000e+00 8.752940e-07 ; 2.786171e-01 -8.752940e-07 0.000000e+00 9.684075e-02 0.004395 0.001132 True md_ensemble 6 349 374 - N_GB1_42 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 349 377 - N_GB1_42 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 349 379 + N_GB1_42 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 349 377 + N_GB1_42 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 349 379 N_GB1_42 N_GB1_45 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 6.357325e-04 0.004395 0.001132 True md_ensemble 7 349 382 - N_GB1_42 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 349 385 + N_GB1_42 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 349 385 N_GB1_42 N_GB1_46 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 349 395 - N_GB1_42 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 349 398 + N_GB1_42 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 349 398 N_GB1_42 N_GB1_47 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 349 404 - N_GB1_42 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 349 407 + N_GB1_42 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 349 407 N_GB1_42 N_GB1_48 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 349 413 - N_GB1_42 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 349 416 + N_GB1_42 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 349 416 N_GB1_42 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 349 419 - N_GB1_42 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 349 422 - N_GB1_42 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 349 424 + N_GB1_42 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 349 422 + N_GB1_42 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 349 424 N_GB1_42 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 349 427 - N_GB1_42 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 349 430 - N_GB1_42 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 349 431 - N_GB1_42 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 349 432 - N_GB1_42 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 349 433 + N_GB1_42 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 349 430 + N_GB1_42 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 349 431 + N_GB1_42 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 349 432 + N_GB1_42 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 349 433 N_GB1_42 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 4.422269e-04 0.004395 0.001132 True md_ensemble 7 349 434 N_GB1_42 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 349 437 - N_GB1_42 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 349 440 - N_GB1_42 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 349 442 + N_GB1_42 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 349 440 + N_GB1_42 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 349 442 N_GB1_42 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 349 445 - N_GB1_42 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 349 448 + N_GB1_42 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 349 448 N_GB1_42 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 349 457 - N_GB1_42 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 349 460 - N_GB1_42 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 349 462 + N_GB1_42 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 349 460 + N_GB1_42 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 349 462 N_GB1_42 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 349 465 N_GB1_42 CA_GB1_54 1 1.120252e-02 9.298012e-05 ; 4.499653e-01 3.374283e-01 7.837398e-01 1.001229e-04 0.004395 0.008482 True md_ensemble 7 349 467 N_GB1_42 CB_GB1_54 1 1.201572e-02 1.194715e-04 ; 4.637163e-01 3.021171e-01 3.952966e-01 6.464781e-05 0.004395 0.001132 True md_ensemble 7 349 468 @@ -40518,7 +40518,7 @@ OD2_GB1_40 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- N_GB1_42 N_GB1_56 1 3.350521e-03 1.197927e-05 ; 3.910386e-01 2.342796e-01 1.061375e-01 0.000000e+00 0.004395 0.001132 True md_ensemble 7 349 481 N_GB1_42 CA_GB1_56 1 9.271549e-03 6.198030e-05 ; 4.340271e-01 3.467296e-01 9.385775e-01 1.220026e-04 0.004395 0.008482 True md_ensemble 7 349 483 N_GB1_42 CB_GB1_56 1 2.387485e-03 1.884848e-05 ; 4.462271e-01 7.560403e-02 4.899385e-03 2.001264e-04 0.004395 0.001132 True md_ensemble 7 349 484 - N_GB1_42 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 349 485 + N_GB1_42 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 349 485 H_GB1_42 H_GB1_42 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 350 350 H_GB1_42 OE1_GB1_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 350 355 H_GB1_42 OE2_GB1_42 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 350 356 @@ -40564,20 +40564,20 @@ OD2_GB1_40 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- H_GB1_42 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 350 488 H_GB1_42 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 350 490 H_GB1_42 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 350 491 - CA_GB1_42 OE1_GB1_42 1 0.000000e+00 3.326483e-06 ; 3.114061e-01 -3.326483e-06 9.884962e-01 9.778705e-01 0.004395 0.001132 True md_ensemble 4 351 355 - CA_GB1_42 OE2_GB1_42 1 0.000000e+00 3.326483e-06 ; 3.114061e-01 -3.326483e-06 9.884962e-01 9.778705e-01 0.004395 0.001132 True md_ensemble 4 351 356 - CA_GB1_42 CB_GB1_43 1 0.000000e+00 3.181344e-05 ; 3.758771e-01 -3.181344e-05 1.000000e+00 9.999932e-01 0.004395 0.001132 True md_ensemble 4 351 362 - CA_GB1_42 CG_GB1_43 1 0.000000e+00 9.566452e-06 ; 3.400616e-01 -9.566452e-06 9.997182e-01 7.326749e-01 0.004395 0.001132 True md_ensemble 5 351 363 - CA_GB1_42 CD1_GB1_43 1 0.000000e+00 7.587411e-06 ; 3.335565e-01 -7.587411e-06 9.999287e-01 5.812564e-01 0.004395 0.001132 True md_ensemble 6 351 364 - CA_GB1_42 CD2_GB1_43 1 0.000000e+00 1.741561e-05 ; 3.574702e-01 -1.741561e-05 1.111383e-02 3.454527e-01 0.004395 0.001132 True md_ensemble 6 351 365 + CA_GB1_42 OE1_GB1_42 1 0.000000e+00 3.326511e-06 ; 3.114063e-01 -3.326511e-06 9.884962e-01 9.778705e-01 0.004395 0.001132 True md_ensemble 4 351 355 + CA_GB1_42 OE2_GB1_42 1 0.000000e+00 3.326511e-06 ; 3.114063e-01 -3.326511e-06 9.884962e-01 9.778705e-01 0.004395 0.001132 True md_ensemble 4 351 356 + CA_GB1_42 CB_GB1_43 1 0.000000e+00 3.181330e-05 ; 3.758770e-01 -3.181330e-05 1.000000e+00 9.999932e-01 0.004395 0.001132 True md_ensemble 4 351 362 + CA_GB1_42 CG_GB1_43 1 0.000000e+00 9.566402e-06 ; 3.400614e-01 -9.566402e-06 9.997182e-01 7.326749e-01 0.004395 0.001132 True md_ensemble 5 351 363 + CA_GB1_42 CD1_GB1_43 1 0.000000e+00 7.587371e-06 ; 3.335564e-01 -7.587371e-06 9.999287e-01 5.812564e-01 0.004395 0.001132 True md_ensemble 6 351 364 + CA_GB1_42 CD2_GB1_43 1 0.000000e+00 1.741552e-05 ; 3.574701e-01 -1.741552e-05 1.111383e-02 3.454527e-01 0.004395 0.001132 True md_ensemble 6 351 365 CA_GB1_42 NE1_GB1_43 1 5.966187e-03 6.012457e-05 ; 4.647569e-01 1.480068e-01 4.056554e-01 1.726060e-01 0.004395 0.008483 True md_ensemble 7 351 366 - CA_GB1_42 C_GB1_43 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 9.999975e-01 9.999968e-01 0.004395 0.001132 True md_ensemble 4 351 372 - CA_GB1_42 O_GB1_43 1 0.000000e+00 2.613619e-06 ; 3.052098e-01 -2.613619e-06 8.265788e-01 4.558367e-01 0.004395 0.001132 True md_ensemble 5 351 373 - CA_GB1_42 N_GB1_44 1 0.000000e+00 9.653595e-06 ; 3.403187e-01 -9.653595e-06 3.435209e-01 6.179238e-01 0.004395 0.001132 True md_ensemble 5 351 374 - CA_GB1_42 CA_GB1_44 1 0.000000e+00 9.178445e-05 ; 4.105749e-01 -9.178445e-05 2.059599e-01 6.060577e-01 0.004395 0.001132 True md_ensemble 6 351 376 - CA_GB1_42 CB_GB1_44 1 0.000000e+00 8.719644e-05 ; 4.088242e-01 -8.719644e-05 5.356268e-02 3.836742e-01 0.004395 0.006476 True md_ensemble 7 351 377 - CA_GB1_42 OG1_GB1_44 1 0.000000e+00 6.421120e-06 ; 3.289495e-01 -6.421120e-06 7.026895e-03 1.265202e-01 0.004395 0.008483 True md_ensemble 7 351 378 - CA_GB1_42 CG2_GB1_44 1 0.000000e+00 2.580961e-05 ; 3.693829e-01 -2.580961e-05 5.882181e-02 1.460958e-01 0.004395 0.010759 True md_ensemble 7 351 379 + CA_GB1_42 C_GB1_43 1 0.000000e+00 1.305179e-05 ; 3.489802e-01 -1.305179e-05 9.999975e-01 9.999968e-01 0.004395 0.001132 True md_ensemble 4 351 372 + CA_GB1_42 O_GB1_43 1 0.000000e+00 2.613640e-06 ; 3.052100e-01 -2.613640e-06 8.265788e-01 4.558367e-01 0.004395 0.001132 True md_ensemble 5 351 373 + CA_GB1_42 N_GB1_44 1 0.000000e+00 9.653580e-06 ; 3.403186e-01 -9.653580e-06 3.435209e-01 6.179238e-01 0.004395 0.001132 True md_ensemble 5 351 374 + CA_GB1_42 CA_GB1_44 1 0.000000e+00 9.178512e-05 ; 4.105752e-01 -9.178512e-05 2.059599e-01 6.060577e-01 0.004395 0.001132 True md_ensemble 6 351 376 + CA_GB1_42 CB_GB1_44 1 0.000000e+00 8.719709e-05 ; 4.088244e-01 -8.719709e-05 5.356268e-02 3.836742e-01 0.004395 0.006476 True md_ensemble 7 351 377 + CA_GB1_42 OG1_GB1_44 1 0.000000e+00 6.421099e-06 ; 3.289494e-01 -6.421099e-06 7.026895e-03 1.265202e-01 0.004395 0.008483 True md_ensemble 7 351 378 + CA_GB1_42 CG2_GB1_44 1 0.000000e+00 2.580960e-05 ; 3.693829e-01 -2.580960e-05 5.882181e-02 1.460958e-01 0.004395 0.010759 True md_ensemble 7 351 379 CA_GB1_42 CA_GB1_54 1 1.793672e-02 2.298095e-04 ; 4.837313e-01 3.499919e-01 9.998433e-01 2.578290e-04 0.004395 0.006476 True md_ensemble 7 351 467 CA_GB1_42 CB_GB1_54 1 2.818140e-02 5.683134e-04 ; 5.217201e-01 3.493632e-01 9.877336e-01 1.345268e-03 0.004395 0.006476 True md_ensemble 7 351 468 CA_GB1_42 CG1_GB1_54 1 1.009600e-02 7.608418e-05 ; 4.427829e-01 3.349225e-01 7.465823e-01 1.417150e-03 0.004395 0.010759 True md_ensemble 7 351 469 @@ -40592,67 +40592,67 @@ OD2_GB1_40 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- CA_GB1_42 O_GB1_55 1 1.943420e-03 2.699433e-06 ; 3.340291e-01 3.497846e-01 9.958336e-01 1.842629e-04 0.004395 0.008483 True md_ensemble 7 351 480 CA_GB1_42 N_GB1_56 1 4.961008e-03 5.752360e-05 ; 4.757506e-01 1.069631e-01 8.997485e-03 2.422569e-05 0.004395 0.008482 True md_ensemble 7 351 481 CA_GB1_42 CA_GB1_56 1 3.616033e-02 9.637268e-04 ; 5.465379e-01 3.391962e-01 8.110614e-01 6.981921e-04 0.004395 0.006476 True md_ensemble 7 351 483 - CB_GB1_42 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 354 - CB_GB1_42 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 355 - CB_GB1_42 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 356 - CB_GB1_42 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 357 + CB_GB1_42 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 354 + CB_GB1_42 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 355 + CB_GB1_42 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 356 + CB_GB1_42 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 357 CB_GB1_42 O_GB1_42 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 358 - CB_GB1_42 N_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 359 - CB_GB1_42 CA_GB1_43 1 0.000000e+00 3.181365e-05 ; 3.758773e-01 -3.181365e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 352 361 - CB_GB1_42 CB_GB1_43 1 0.000000e+00 2.209649e-05 ; 3.646324e-01 -2.209649e-05 2.166554e-01 6.478772e-01 0.004395 0.001132 True md_ensemble 5 352 362 + CB_GB1_42 N_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 359 + CB_GB1_42 CA_GB1_43 1 0.000000e+00 3.181352e-05 ; 3.758772e-01 -3.181352e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 352 361 + CB_GB1_42 CB_GB1_43 1 0.000000e+00 2.209614e-05 ; 3.646319e-01 -2.209614e-05 2.166554e-01 6.478772e-01 0.004395 0.001132 True md_ensemble 5 352 362 CB_GB1_42 CG_GB1_43 1 0.000000e+00 6.333961e-06 ; 3.285751e-01 -6.333961e-06 3.115000e-06 2.277684e-01 0.004395 0.001132 True md_ensemble 6 352 363 - CB_GB1_42 CD1_GB1_43 1 0.000000e+00 7.796355e-06 ; 3.343125e-01 -7.796355e-06 1.058768e-02 2.414691e-01 0.004395 0.012152 True md_ensemble 7 352 364 - CB_GB1_42 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 366 - CB_GB1_42 C_GB1_43 1 0.000000e+00 2.651373e-06 ; 3.055748e-01 -2.651373e-06 8.783109e-01 2.969072e-01 0.004395 0.001132 True md_ensemble 5 352 372 - CB_GB1_42 O_GB1_43 1 0.000000e+00 1.900040e-06 ; 2.972067e-01 -1.900040e-06 1.457151e-01 8.835611e-02 0.004395 0.001132 True md_ensemble 6 352 373 - CB_GB1_42 N_GB1_44 1 0.000000e+00 4.197053e-06 ; 3.174975e-01 -4.197053e-06 6.618105e-03 1.483372e-01 0.004395 0.001132 True md_ensemble 6 352 374 - CB_GB1_42 CA_GB1_44 1 0.000000e+00 3.635531e-05 ; 3.800806e-01 -3.635531e-05 1.796361e-02 1.607217e-01 0.004395 0.007117 True md_ensemble 7 352 376 - CB_GB1_42 CB_GB1_44 1 0.000000e+00 3.489291e-05 ; 3.787824e-01 -3.489291e-05 3.343660e-02 1.302271e-01 0.004395 0.007117 True md_ensemble 7 352 377 - CB_GB1_42 OG1_GB1_44 1 0.000000e+00 2.921290e-06 ; 3.080536e-01 -2.921290e-06 2.162380e-02 7.112417e-02 0.004395 0.001132 True md_ensemble 7 352 378 + CB_GB1_42 CD1_GB1_43 1 0.000000e+00 7.796224e-06 ; 3.343120e-01 -7.796224e-06 1.058768e-02 2.414691e-01 0.004395 0.012152 True md_ensemble 7 352 364 + CB_GB1_42 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 366 + CB_GB1_42 C_GB1_43 1 0.000000e+00 2.651328e-06 ; 3.055744e-01 -2.651328e-06 8.783109e-01 2.969072e-01 0.004395 0.001132 True md_ensemble 5 352 372 + CB_GB1_42 O_GB1_43 1 0.000000e+00 1.900033e-06 ; 2.972066e-01 -1.900033e-06 1.457151e-01 8.835611e-02 0.004395 0.001132 True md_ensemble 6 352 373 + CB_GB1_42 N_GB1_44 1 0.000000e+00 4.196997e-06 ; 3.174972e-01 -4.196997e-06 6.618105e-03 1.483372e-01 0.004395 0.001132 True md_ensemble 6 352 374 + CB_GB1_42 CA_GB1_44 1 0.000000e+00 3.635515e-05 ; 3.800804e-01 -3.635515e-05 1.796361e-02 1.607217e-01 0.004395 0.007117 True md_ensemble 7 352 376 + CB_GB1_42 CB_GB1_44 1 0.000000e+00 3.489276e-05 ; 3.787822e-01 -3.489276e-05 3.343660e-02 1.302271e-01 0.004395 0.007117 True md_ensemble 7 352 377 + CB_GB1_42 OG1_GB1_44 1 0.000000e+00 2.921247e-06 ; 3.080532e-01 -2.921247e-06 2.162380e-02 7.112417e-02 0.004395 0.001132 True md_ensemble 7 352 378 CB_GB1_42 CG2_GB1_44 1 5.327302e-03 5.235286e-05 ; 4.628130e-01 1.355234e-01 8.555179e-02 6.642130e-02 0.004395 0.012151 True md_ensemble 7 352 379 - CB_GB1_42 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 380 + CB_GB1_42 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 380 CB_GB1_42 O_GB1_44 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.442236e-02 0.004395 0.007862 True md_ensemble 7 352 381 - CB_GB1_42 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 382 - CB_GB1_42 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 392 - CB_GB1_42 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 393 + CB_GB1_42 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 382 + CB_GB1_42 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 392 + CB_GB1_42 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 393 CB_GB1_42 O_GB1_45 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.817918e-03 0.004395 0.007862 True md_ensemble 7 352 394 - CB_GB1_42 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 395 - CB_GB1_42 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 399 - CB_GB1_42 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 400 - CB_GB1_42 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 401 - CB_GB1_42 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 402 + CB_GB1_42 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 395 + CB_GB1_42 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 399 + CB_GB1_42 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 400 + CB_GB1_42 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 401 + CB_GB1_42 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 402 CB_GB1_42 O_GB1_46 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.297202e-03 0.004395 0.007862 True md_ensemble 7 352 403 - CB_GB1_42 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 404 - CB_GB1_42 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 408 - CB_GB1_42 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 409 - CB_GB1_42 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 410 - CB_GB1_42 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 411 + CB_GB1_42 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 404 + CB_GB1_42 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 408 + CB_GB1_42 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 409 + CB_GB1_42 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 410 + CB_GB1_42 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 411 CB_GB1_42 O_GB1_47 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 8.660337e-04 0.004395 0.007862 True md_ensemble 7 352 412 - CB_GB1_42 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 413 - CB_GB1_42 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 417 + CB_GB1_42 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 413 + CB_GB1_42 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 417 CB_GB1_42 O_GB1_48 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.088412e-04 0.004395 0.007862 True md_ensemble 7 352 418 - CB_GB1_42 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 419 - CB_GB1_42 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 423 - CB_GB1_42 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 425 + CB_GB1_42 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 419 + CB_GB1_42 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 423 + CB_GB1_42 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 425 CB_GB1_42 O_GB1_49 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.419309e-04 0.004395 0.007862 True md_ensemble 7 352 426 - CB_GB1_42 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 427 - CB_GB1_42 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 434 - CB_GB1_42 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 435 + CB_GB1_42 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 427 + CB_GB1_42 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 434 + CB_GB1_42 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 435 CB_GB1_42 O_GB1_50 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.999417e-04 0.004395 0.007862 True md_ensemble 7 352 436 - CB_GB1_42 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 437 - CB_GB1_42 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 441 - CB_GB1_42 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 443 + CB_GB1_42 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 437 + CB_GB1_42 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 441 + CB_GB1_42 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 443 CB_GB1_42 O_GB1_51 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.629263e-04 0.004395 0.007862 True md_ensemble 7 352 444 - CB_GB1_42 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 445 - CB_GB1_42 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 455 + CB_GB1_42 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 445 + CB_GB1_42 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 455 CB_GB1_42 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.173816e-04 0.004395 0.007862 True md_ensemble 7 352 456 - CB_GB1_42 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 457 - CB_GB1_42 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 461 - CB_GB1_42 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 463 + CB_GB1_42 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 457 + CB_GB1_42 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 461 + CB_GB1_42 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 463 CB_GB1_42 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.994724e-05 0.004395 0.007862 True md_ensemble 7 352 464 - CB_GB1_42 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 465 + CB_GB1_42 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 465 CB_GB1_42 CA_GB1_54 1 2.257023e-02 5.258973e-04 ; 5.344341e-01 2.421648e-01 1.236647e-01 3.023313e-04 0.004395 0.007117 True md_ensemble 7 352 467 - CB_GB1_42 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 471 + CB_GB1_42 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 471 CB_GB1_42 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.771099e-05 0.004395 0.007862 True md_ensemble 7 352 472 CB_GB1_42 N_GB1_55 1 7.604118e-03 4.873024e-05 ; 4.309812e-01 2.966464e-01 3.555256e-01 8.296004e-05 0.004395 0.001132 True md_ensemble 7 352 473 CB_GB1_42 CA_GB1_55 1 1.626136e-02 1.915661e-04 ; 4.770094e-01 3.450921e-01 9.092541e-01 4.837340e-04 0.004395 0.007117 True md_ensemble 7 352 475 @@ -40661,73 +40661,73 @@ OD2_GB1_40 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- CB_GB1_42 CG2_GB1_55 1 3.859543e-03 1.728736e-05 ; 4.060057e-01 2.154185e-01 7.363709e-02 1.258322e-03 0.004395 0.012151 True md_ensemble 7 352 478 CB_GB1_42 C_GB1_55 1 8.509795e-03 5.382783e-05 ; 4.300457e-01 3.363344e-01 7.672970e-01 1.888404e-04 0.004395 0.001132 True md_ensemble 7 352 479 CB_GB1_42 O_GB1_55 1 1.609438e-03 1.857991e-06 ; 3.238880e-01 3.485340e-01 9.719837e-01 2.008359e-04 0.004395 0.007862 True md_ensemble 7 352 480 - CB_GB1_42 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 481 + CB_GB1_42 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 481 CB_GB1_42 CA_GB1_56 1 2.230690e-02 4.722602e-04 ; 5.259652e-01 2.634129e-01 1.866861e-01 5.791244e-04 0.004395 0.007117 True md_ensemble 7 352 483 - CB_GB1_42 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 486 - CB_GB1_42 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 487 - CB_GB1_42 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 488 - CB_GB1_42 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 489 - CB_GB1_42 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 490 - CB_GB1_42 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 491 - CG_GB1_42 CD_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 354 - CG_GB1_42 OE1_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 355 - CG_GB1_42 OE2_GB1_42 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 356 - CG_GB1_42 C_GB1_42 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 357 - CG_GB1_42 O_GB1_42 1 0.000000e+00 1.945069e-06 ; 2.977874e-01 -1.945069e-06 9.968518e-01 9.618323e-01 0.004395 0.001132 True md_ensemble 4 353 358 - CG_GB1_42 N_GB1_43 1 0.000000e+00 3.586921e-06 ; 3.133684e-01 -3.586921e-06 9.996874e-01 9.754330e-01 0.004395 0.001132 True md_ensemble 4 353 359 - CG_GB1_42 CA_GB1_43 1 0.000000e+00 2.420288e-05 ; 3.674097e-01 -2.420288e-05 9.409835e-01 7.017537e-01 0.004395 0.001132 True md_ensemble 5 353 361 - CG_GB1_42 CB_GB1_43 1 0.000000e+00 1.341409e-05 ; 3.497774e-01 -1.341409e-05 2.843755e-01 1.532259e-01 0.004395 0.001132 True md_ensemble 6 353 362 - CG_GB1_42 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 366 + CB_GB1_42 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 486 + CB_GB1_42 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 487 + CB_GB1_42 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 488 + CB_GB1_42 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 489 + CB_GB1_42 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 490 + CB_GB1_42 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 352 491 + CG_GB1_42 CD_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 354 + CG_GB1_42 OE1_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 355 + CG_GB1_42 OE2_GB1_42 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 356 + CG_GB1_42 C_GB1_42 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 357 + CG_GB1_42 O_GB1_42 1 0.000000e+00 1.945062e-06 ; 2.977873e-01 -1.945062e-06 9.968518e-01 9.618323e-01 0.004395 0.001132 True md_ensemble 4 353 358 + CG_GB1_42 N_GB1_43 1 0.000000e+00 3.586873e-06 ; 3.133680e-01 -3.586873e-06 9.996874e-01 9.754330e-01 0.004395 0.001132 True md_ensemble 4 353 359 + CG_GB1_42 CA_GB1_43 1 0.000000e+00 2.420278e-05 ; 3.674095e-01 -2.420278e-05 9.409835e-01 7.017537e-01 0.004395 0.001132 True md_ensemble 5 353 361 + CG_GB1_42 CB_GB1_43 1 0.000000e+00 1.341388e-05 ; 3.497770e-01 -1.341388e-05 2.843755e-01 1.532259e-01 0.004395 0.001132 True md_ensemble 6 353 362 + CG_GB1_42 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 366 CG_GB1_42 C_GB1_43 1 1.795373e-03 7.785244e-06 ; 4.038186e-01 1.035087e-01 7.583986e-01 1.019914e-01 0.004395 0.001132 True md_ensemble 6 353 372 CG_GB1_42 O_GB1_43 1 1.827586e-03 3.724240e-06 ; 3.560628e-01 2.242116e-01 6.065532e-01 5.460825e-02 0.004395 0.007862 True md_ensemble 7 353 373 - CG_GB1_42 N_GB1_44 1 0.000000e+00 3.425304e-06 ; 3.121667e-01 -3.425304e-06 1.201443e-01 5.192562e-02 0.004395 0.001132 True md_ensemble 7 353 374 + CG_GB1_42 N_GB1_44 1 0.000000e+00 3.425259e-06 ; 3.121664e-01 -3.425259e-06 1.201443e-01 5.192562e-02 0.004395 0.001132 True md_ensemble 7 353 374 CG_GB1_42 CA_GB1_44 1 1.146532e-02 2.005476e-04 ; 5.094934e-01 1.638682e-01 3.111097e-01 8.166473e-02 0.004395 0.007117 True md_ensemble 7 353 376 CG_GB1_42 CB_GB1_44 1 1.035895e-02 1.633349e-04 ; 5.007572e-01 1.642450e-01 3.456727e-01 9.007712e-02 0.004395 0.007117 True md_ensemble 7 353 377 - CG_GB1_42 OG1_GB1_44 1 0.000000e+00 2.460000e-06 ; 3.036731e-01 -2.460000e-06 1.663891e-01 5.016655e-02 0.004395 0.001132 True md_ensemble 7 353 378 + CG_GB1_42 OG1_GB1_44 1 0.000000e+00 2.459963e-06 ; 3.036727e-01 -2.459963e-06 1.663891e-01 5.016655e-02 0.004395 0.001132 True md_ensemble 7 353 378 CG_GB1_42 CG2_GB1_44 1 2.640891e-03 9.519803e-06 ; 3.915731e-01 1.831526e-01 1.709460e-01 5.272242e-02 0.004395 0.012151 True md_ensemble 7 353 379 - CG_GB1_42 C_GB1_44 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 380 + CG_GB1_42 C_GB1_44 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 380 CG_GB1_42 O_GB1_44 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.934888e-02 0.004395 0.007862 True md_ensemble 7 353 381 - CG_GB1_42 N_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 382 - CG_GB1_42 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 392 - CG_GB1_42 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 393 + CG_GB1_42 N_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 382 + CG_GB1_42 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 392 + CG_GB1_42 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 393 CG_GB1_42 O_GB1_45 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.152183e-03 0.004395 0.007862 True md_ensemble 7 353 394 - CG_GB1_42 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 395 - CG_GB1_42 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 399 - CG_GB1_42 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 400 - CG_GB1_42 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 401 - CG_GB1_42 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 402 + CG_GB1_42 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 395 + CG_GB1_42 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 399 + CG_GB1_42 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 400 + CG_GB1_42 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 401 + CG_GB1_42 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 402 CG_GB1_42 O_GB1_46 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.435440e-03 0.004395 0.007862 True md_ensemble 7 353 403 - CG_GB1_42 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 404 - CG_GB1_42 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 408 - CG_GB1_42 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 409 - CG_GB1_42 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 410 - CG_GB1_42 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 411 + CG_GB1_42 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 404 + CG_GB1_42 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 408 + CG_GB1_42 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 409 + CG_GB1_42 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 410 + CG_GB1_42 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 411 CG_GB1_42 O_GB1_47 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.012353e-03 0.004395 0.007862 True md_ensemble 7 353 412 - CG_GB1_42 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 413 - CG_GB1_42 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 417 + CG_GB1_42 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 413 + CG_GB1_42 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 417 CG_GB1_42 O_GB1_48 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.273809e-04 0.004395 0.007862 True md_ensemble 7 353 418 - CG_GB1_42 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 419 - CG_GB1_42 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 423 - CG_GB1_42 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 425 + CG_GB1_42 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 419 + CG_GB1_42 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 423 + CG_GB1_42 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 425 CG_GB1_42 O_GB1_49 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.314617e-04 0.004395 0.007862 True md_ensemble 7 353 426 - CG_GB1_42 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 427 - CG_GB1_42 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 434 - CG_GB1_42 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 435 + CG_GB1_42 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 427 + CG_GB1_42 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 434 + CG_GB1_42 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 435 CG_GB1_42 O_GB1_50 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.897622e-04 0.004395 0.007862 True md_ensemble 7 353 436 - CG_GB1_42 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 437 - CG_GB1_42 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 441 - CG_GB1_42 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 443 + CG_GB1_42 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 437 + CG_GB1_42 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 441 + CG_GB1_42 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 443 CG_GB1_42 O_GB1_51 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.892870e-04 0.004395 0.007862 True md_ensemble 7 353 444 - CG_GB1_42 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 445 - CG_GB1_42 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 455 + CG_GB1_42 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 445 + CG_GB1_42 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 455 CG_GB1_42 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.831442e-04 0.004395 0.007862 True md_ensemble 7 353 456 - CG_GB1_42 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 457 - CG_GB1_42 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 461 - CG_GB1_42 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 463 + CG_GB1_42 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 457 + CG_GB1_42 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 461 + CG_GB1_42 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 463 CG_GB1_42 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.659628e-04 0.004395 0.007862 True md_ensemble 7 353 464 - CG_GB1_42 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 465 + CG_GB1_42 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 465 CG_GB1_42 CA_GB1_54 1 1.046046e-02 2.406422e-04 ; 5.332982e-01 1.136764e-01 1.024787e-02 2.844541e-04 0.004395 0.007117 True md_ensemble 7 353 467 - CG_GB1_42 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 471 + CG_GB1_42 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 471 CG_GB1_42 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.604036e-04 0.004395 0.007862 True md_ensemble 7 353 472 CG_GB1_42 N_GB1_55 1 4.369388e-03 2.365410e-05 ; 4.190324e-01 2.017785e-01 5.652945e-02 0.000000e+00 0.004395 0.001132 True md_ensemble 7 353 473 CG_GB1_42 CA_GB1_55 1 9.266887e-03 8.345500e-05 ; 4.561277e-01 2.572500e-01 1.656657e-01 1.264444e-03 0.004395 0.007117 True md_ensemble 7 353 475 @@ -40736,52 +40736,52 @@ OD2_GB1_40 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- CG_GB1_42 CG2_GB1_55 1 3.282859e-03 1.312323e-05 ; 3.983805e-01 2.053070e-01 6.053104e-02 2.154587e-03 0.004395 0.012151 True md_ensemble 7 353 478 CG_GB1_42 C_GB1_55 1 4.746747e-03 2.364677e-05 ; 4.132656e-01 2.382102e-01 1.145397e-01 4.957621e-04 0.004395 0.001132 True md_ensemble 7 353 479 CG_GB1_42 O_GB1_55 1 1.189018e-03 1.262690e-06 ; 3.194121e-01 2.799109e-01 2.570348e-01 4.067334e-04 0.004395 0.007862 True md_ensemble 7 353 480 - CG_GB1_42 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 481 + CG_GB1_42 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 481 CG_GB1_42 CA_GB1_56 1 1.471873e-02 2.655823e-04 ; 5.121394e-01 2.039301e-01 5.893685e-02 9.738542e-04 0.004395 0.007117 True md_ensemble 7 353 483 - CG_GB1_42 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 486 - CG_GB1_42 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 487 - CG_GB1_42 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 488 - CG_GB1_42 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 489 - CG_GB1_42 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 490 - CG_GB1_42 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 491 - CD_GB1_42 C_GB1_42 1 0.000000e+00 1.827523e-06 ; 2.962445e-01 -1.827523e-06 9.196071e-01 6.228872e-01 0.004395 0.001132 True md_ensemble 4 354 357 - CD_GB1_42 O_GB1_42 1 0.000000e+00 8.674093e-07 ; 2.784071e-01 -8.674093e-07 5.613679e-02 1.050718e-01 0.004395 0.001132 True md_ensemble 5 354 358 + CG_GB1_42 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 486 + CG_GB1_42 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 487 + CG_GB1_42 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 488 + CG_GB1_42 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 489 + CG_GB1_42 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 490 + CG_GB1_42 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 353 491 + CD_GB1_42 C_GB1_42 1 0.000000e+00 1.827490e-06 ; 2.962440e-01 -1.827490e-06 9.196071e-01 6.228872e-01 0.004395 0.001132 True md_ensemble 4 354 357 + CD_GB1_42 O_GB1_42 1 0.000000e+00 8.674053e-07 ; 2.784070e-01 -8.674053e-07 5.613679e-02 1.050718e-01 0.004395 0.001132 True md_ensemble 5 354 358 CD_GB1_42 N_GB1_43 1 3.469068e-04 4.034247e-07 ; 3.242836e-01 7.457670e-02 2.518283e-01 5.933620e-02 0.004395 0.001132 True md_ensemble 5 354 359 CD_GB1_42 CA_GB1_43 1 2.498019e-03 1.841027e-05 ; 4.411410e-01 8.473666e-02 2.011031e-01 3.891416e-02 0.004395 0.001132 True md_ensemble 6 354 361 - CD_GB1_42 CB_GB1_43 1 0.000000e+00 6.275456e-06 ; 3.283211e-01 -6.275456e-06 1.608997e-02 6.853210e-03 0.004395 0.001132 True md_ensemble 7 354 362 + CD_GB1_42 CB_GB1_43 1 0.000000e+00 6.275350e-06 ; 3.283206e-01 -6.275350e-06 1.608997e-02 6.853210e-03 0.004395 0.001132 True md_ensemble 7 354 362 CD_GB1_42 C_GB1_43 1 3.116155e-03 1.279488e-05 ; 4.001623e-01 1.897326e-01 4.475826e-02 2.056478e-03 0.004395 0.011584 True md_ensemble 7 354 372 CD_GB1_42 O_GB1_43 1 1.269922e-03 1.990793e-06 ; 3.408329e-01 2.025200e-01 5.734784e-02 8.291138e-03 0.004395 0.011584 True md_ensemble 7 354 373 - CD_GB1_42 CA_GB1_44 1 0.000000e+00 1.323556e-05 ; 3.493871e-01 -1.323556e-05 5.613997e-03 1.968829e-02 0.004395 0.008482 True md_ensemble 7 354 376 - CD_GB1_42 CB_GB1_44 1 0.000000e+00 1.323141e-05 ; 3.493780e-01 -1.323141e-05 2.991197e-02 4.366835e-02 0.004395 0.001132 True md_ensemble 7 354 377 + CD_GB1_42 CA_GB1_44 1 0.000000e+00 1.323549e-05 ; 3.493869e-01 -1.323549e-05 5.613997e-03 1.968829e-02 0.004395 0.008482 True md_ensemble 7 354 376 + CD_GB1_42 CB_GB1_44 1 0.000000e+00 1.323134e-05 ; 3.493778e-01 -1.323134e-05 2.991197e-02 4.366835e-02 0.004395 0.001132 True md_ensemble 7 354 377 CD_GB1_42 OG1_GB1_44 1 1.056269e-03 2.088600e-06 ; 3.542801e-01 1.335469e-01 3.924531e-02 3.018152e-02 0.004395 0.011584 True md_ensemble 7 354 378 - CD_GB1_42 CG2_GB1_44 1 0.000000e+00 4.494104e-06 ; 3.193120e-01 -4.494104e-06 7.981678e-02 3.072546e-02 0.004395 0.001132 True md_ensemble 7 354 379 - CD_GB1_42 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 354 385 - CD_GB1_42 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 354 398 - CD_GB1_42 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 354 407 - CD_GB1_42 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 354 416 - CD_GB1_42 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 354 422 - CD_GB1_42 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 354 424 - CD_GB1_42 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 354 430 - CD_GB1_42 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 354 431 - CD_GB1_42 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 354 432 - CD_GB1_42 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 354 433 - CD_GB1_42 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 354 440 - CD_GB1_42 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 354 442 - CD_GB1_42 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 354 448 - CD_GB1_42 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 354 460 - CD_GB1_42 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 354 462 - CD_GB1_42 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 354 468 - CD_GB1_42 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 354 469 - CD_GB1_42 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 354 470 + CD_GB1_42 CG2_GB1_44 1 0.000000e+00 4.494046e-06 ; 3.193117e-01 -4.494046e-06 7.981678e-02 3.072546e-02 0.004395 0.001132 True md_ensemble 7 354 379 + CD_GB1_42 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 354 385 + CD_GB1_42 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 354 398 + CD_GB1_42 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 354 407 + CD_GB1_42 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 354 416 + CD_GB1_42 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 354 422 + CD_GB1_42 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 354 424 + CD_GB1_42 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 354 430 + CD_GB1_42 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 354 431 + CD_GB1_42 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 354 432 + CD_GB1_42 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 354 433 + CD_GB1_42 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 354 440 + CD_GB1_42 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 354 442 + CD_GB1_42 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 354 448 + CD_GB1_42 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 354 460 + CD_GB1_42 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 354 462 + CD_GB1_42 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 354 468 + CD_GB1_42 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 354 469 + CD_GB1_42 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 354 470 CD_GB1_42 CA_GB1_55 1 6.138543e-03 8.034699e-05 ; 4.854569e-01 1.172468e-01 1.098220e-02 1.076010e-03 0.004395 0.008482 True md_ensemble 7 354 475 CD_GB1_42 CB_GB1_55 1 5.731043e-03 4.532515e-05 ; 4.463590e-01 1.811624e-01 6.902639e-02 2.060604e-03 0.004395 0.001132 True md_ensemble 7 354 476 CD_GB1_42 CG2_GB1_55 1 1.884415e-03 9.526950e-06 ; 4.142822e-01 9.318353e-02 1.096550e-02 1.801407e-03 0.004395 0.001132 True md_ensemble 7 354 478 CD_GB1_42 O_GB1_55 1 1.050628e-03 1.715756e-06 ; 3.431635e-01 1.608357e-01 2.556347e-02 3.788414e-04 0.004395 0.011584 True md_ensemble 7 354 480 - CD_GB1_42 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 354 484 - CD_GB1_42 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 354 485 + CD_GB1_42 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 354 484 + CD_GB1_42 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 354 485 OE1_GB1_42 OE1_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 355 OE1_GB1_42 OE2_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 356 -OE1_GB1_42 C_GB1_42 1 0.000000e+00 6.249229e-07 ; 2.709030e-01 -6.249229e-07 9.809569e-02 3.165051e-02 0.004395 0.001132 True md_ensemble 5 355 357 +OE1_GB1_42 C_GB1_42 1 0.000000e+00 6.249201e-07 ; 2.709029e-01 -6.249201e-07 9.809569e-02 3.165051e-02 0.004395 0.001132 True md_ensemble 5 355 357 OE1_GB1_42 O_GB1_42 1 0.000000e+00 1.518588e-06 ; 2.917080e-01 -1.518588e-06 5.363719e-02 6.602922e-02 0.004395 0.001132 True md_ensemble 6 355 358 OE1_GB1_42 N_GB1_43 1 1.294566e-04 4.796228e-08 ; 2.679966e-01 8.735518e-02 1.235029e-01 2.271556e-02 0.004395 0.001132 True md_ensemble 6 355 359 OE1_GB1_42 H_GB1_43 1 1.184491e-05 1.801527e-10 ; 1.574049e-01 1.946985e-01 4.928059e-02 2.338375e-03 0.004395 0.020721 True md_ensemble 7 355 360 @@ -40790,20 +40790,20 @@ OE1_GB1_42 CB_GB1_43 1 1.216787e-03 3.001517e-06 ; 3.675821e-01 1.233184e- OE1_GB1_42 C_GB1_43 1 1.066545e-03 1.812902e-06 ; 3.454611e-01 1.568643e-01 2.366947e-02 7.683956e-04 0.004395 0.011584 True md_ensemble 7 355 372 OE1_GB1_42 O_GB1_43 1 2.940944e-04 1.903664e-07 ; 2.941151e-01 1.135856e-01 9.826354e-02 1.087006e-02 0.004395 0.001132 True md_ensemble 7 355 373 OE1_GB1_42 H_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 375 -OE1_GB1_42 CB_GB1_44 1 0.000000e+00 3.397029e-06 ; 3.119512e-01 -3.397029e-06 1.061199e-02 2.096814e-02 0.004395 0.001132 True md_ensemble 7 355 377 +OE1_GB1_42 CB_GB1_44 1 0.000000e+00 3.397057e-06 ; 3.119514e-01 -3.397057e-06 1.061199e-02 2.096814e-02 0.004395 0.001132 True md_ensemble 7 355 377 OE1_GB1_42 OG1_GB1_44 1 2.840208e-04 1.520370e-07 ; 2.849486e-01 1.326450e-01 2.439871e-02 1.909506e-02 0.004395 0.011584 True md_ensemble 7 355 378 -OE1_GB1_42 CG2_GB1_44 1 0.000000e+00 1.201337e-06 ; 2.860665e-01 -1.201337e-06 3.016157e-02 1.691437e-02 0.004395 0.001132 True md_ensemble 7 355 379 +OE1_GB1_42 CG2_GB1_44 1 0.000000e+00 1.201337e-06 ; 2.860666e-01 -1.201337e-06 3.016157e-02 1.691437e-02 0.004395 0.001132 True md_ensemble 7 355 379 OE1_GB1_42 O_GB1_44 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 381 OE1_GB1_42 H_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 383 -OE1_GB1_42 CB_GB1_45 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 385 +OE1_GB1_42 CB_GB1_45 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 385 OE1_GB1_42 O_GB1_45 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 394 OE1_GB1_42 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 396 -OE1_GB1_42 CB_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 398 +OE1_GB1_42 CB_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 398 OE1_GB1_42 OD1_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 400 OE1_GB1_42 OD2_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 401 OE1_GB1_42 O_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 403 OE1_GB1_42 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 405 -OE1_GB1_42 CB_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 407 +OE1_GB1_42 CB_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 407 OE1_GB1_42 OD1_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 409 OE1_GB1_42 OD2_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 410 OE1_GB1_42 O_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 412 @@ -40811,28 +40811,28 @@ OE1_GB1_42 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e- OE1_GB1_42 CB_GB1_48 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 416 OE1_GB1_42 O_GB1_48 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 418 OE1_GB1_42 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 420 -OE1_GB1_42 CB_GB1_49 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 422 +OE1_GB1_42 CB_GB1_49 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 422 OE1_GB1_42 CG2_GB1_49 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 424 OE1_GB1_42 O_GB1_49 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 426 OE1_GB1_42 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 428 -OE1_GB1_42 CB_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 430 -OE1_GB1_42 CG_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 431 -OE1_GB1_42 CD_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 432 -OE1_GB1_42 CE_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 433 +OE1_GB1_42 CB_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 430 +OE1_GB1_42 CG_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 431 +OE1_GB1_42 CD_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 432 +OE1_GB1_42 CE_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 433 OE1_GB1_42 O_GB1_50 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 436 OE1_GB1_42 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 438 -OE1_GB1_42 CB_GB1_51 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 440 +OE1_GB1_42 CB_GB1_51 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 440 OE1_GB1_42 CG2_GB1_51 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 442 OE1_GB1_42 O_GB1_51 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 444 OE1_GB1_42 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 446 -OE1_GB1_42 CB_GB1_52 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 448 +OE1_GB1_42 CB_GB1_52 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 448 OE1_GB1_42 O_GB1_52 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 456 OE1_GB1_42 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 458 -OE1_GB1_42 CB_GB1_53 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 460 +OE1_GB1_42 CB_GB1_53 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 460 OE1_GB1_42 CG2_GB1_53 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 462 OE1_GB1_42 O_GB1_53 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 464 OE1_GB1_42 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 466 -OE1_GB1_42 CB_GB1_54 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 468 +OE1_GB1_42 CB_GB1_54 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 468 OE1_GB1_42 CG1_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 469 OE1_GB1_42 CG2_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 470 OE1_GB1_42 O_GB1_54 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 472 @@ -40841,14 +40841,14 @@ OE1_GB1_42 CB_GB1_55 1 2.050578e-03 7.310102e-06 ; 3.908480e-01 1.438034e- OE1_GB1_42 CG2_GB1_55 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 478 OE1_GB1_42 O_GB1_55 1 4.501392e-04 2.971723e-07 ; 2.950826e-01 1.704611e-01 3.080678e-02 5.855471e-04 0.004395 0.001132 True md_ensemble 7 355 480 OE1_GB1_42 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 482 -OE1_GB1_42 CB_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 484 -OE1_GB1_42 CG_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 485 +OE1_GB1_42 CB_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 484 +OE1_GB1_42 CG_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 485 OE1_GB1_42 OE1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 487 OE1_GB1_42 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 355 488 OE1_GB1_42 O1_GB1_56 1 2.236237e-04 1.611582e-07 ; 2.994257e-01 7.757525e-02 5.090205e-03 6.533569e-04 0.004395 0.001132 True md_ensemble 7 355 490 OE1_GB1_42 O2_GB1_56 1 2.236237e-04 1.611582e-07 ; 2.994257e-01 7.757525e-02 5.090205e-03 6.533569e-04 0.004395 0.001132 True md_ensemble 7 355 491 OE2_GB1_42 OE2_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 356 -OE2_GB1_42 C_GB1_42 1 0.000000e+00 6.249229e-07 ; 2.709030e-01 -6.249229e-07 9.809569e-02 3.165051e-02 0.004395 0.001132 True md_ensemble 5 356 357 +OE2_GB1_42 C_GB1_42 1 0.000000e+00 6.249201e-07 ; 2.709029e-01 -6.249201e-07 9.809569e-02 3.165051e-02 0.004395 0.001132 True md_ensemble 5 356 357 OE2_GB1_42 O_GB1_42 1 0.000000e+00 1.518588e-06 ; 2.917080e-01 -1.518588e-06 5.363719e-02 6.602922e-02 0.004395 0.001132 True md_ensemble 6 356 358 OE2_GB1_42 N_GB1_43 1 1.294566e-04 4.796228e-08 ; 2.679966e-01 8.735518e-02 1.235029e-01 2.271556e-02 0.004395 0.001132 True md_ensemble 6 356 359 OE2_GB1_42 H_GB1_43 1 1.184491e-05 1.801527e-10 ; 1.574049e-01 1.946985e-01 4.928059e-02 2.338375e-03 0.004395 0.020721 True md_ensemble 7 356 360 @@ -40857,20 +40857,20 @@ OE2_GB1_42 CB_GB1_43 1 1.216787e-03 3.001517e-06 ; 3.675821e-01 1.233184e- OE2_GB1_42 C_GB1_43 1 1.066545e-03 1.812902e-06 ; 3.454611e-01 1.568643e-01 2.366947e-02 7.683956e-04 0.004395 0.011584 True md_ensemble 7 356 372 OE2_GB1_42 O_GB1_43 1 2.940944e-04 1.903664e-07 ; 2.941151e-01 1.135856e-01 9.826354e-02 1.087006e-02 0.004395 0.001132 True md_ensemble 7 356 373 OE2_GB1_42 H_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 375 -OE2_GB1_42 CB_GB1_44 1 0.000000e+00 3.397029e-06 ; 3.119512e-01 -3.397029e-06 1.061199e-02 2.096814e-02 0.004395 0.001132 True md_ensemble 7 356 377 +OE2_GB1_42 CB_GB1_44 1 0.000000e+00 3.397057e-06 ; 3.119514e-01 -3.397057e-06 1.061199e-02 2.096814e-02 0.004395 0.001132 True md_ensemble 7 356 377 OE2_GB1_42 OG1_GB1_44 1 2.840208e-04 1.520370e-07 ; 2.849486e-01 1.326450e-01 2.439871e-02 1.909506e-02 0.004395 0.011584 True md_ensemble 7 356 378 -OE2_GB1_42 CG2_GB1_44 1 0.000000e+00 1.201337e-06 ; 2.860665e-01 -1.201337e-06 3.016157e-02 1.691437e-02 0.004395 0.001132 True md_ensemble 7 356 379 +OE2_GB1_42 CG2_GB1_44 1 0.000000e+00 1.201337e-06 ; 2.860666e-01 -1.201337e-06 3.016157e-02 1.691437e-02 0.004395 0.001132 True md_ensemble 7 356 379 OE2_GB1_42 O_GB1_44 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 381 OE2_GB1_42 H_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 383 -OE2_GB1_42 CB_GB1_45 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 385 +OE2_GB1_42 CB_GB1_45 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 385 OE2_GB1_42 O_GB1_45 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 394 OE2_GB1_42 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 396 -OE2_GB1_42 CB_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 398 +OE2_GB1_42 CB_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 398 OE2_GB1_42 OD1_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 400 OE2_GB1_42 OD2_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 401 OE2_GB1_42 O_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 403 OE2_GB1_42 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 405 -OE2_GB1_42 CB_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 407 +OE2_GB1_42 CB_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 407 OE2_GB1_42 OD1_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 409 OE2_GB1_42 OD2_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 410 OE2_GB1_42 O_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 412 @@ -40878,28 +40878,28 @@ OE2_GB1_42 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e- OE2_GB1_42 CB_GB1_48 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 416 OE2_GB1_42 O_GB1_48 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 418 OE2_GB1_42 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 420 -OE2_GB1_42 CB_GB1_49 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 422 +OE2_GB1_42 CB_GB1_49 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 422 OE2_GB1_42 CG2_GB1_49 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 424 OE2_GB1_42 O_GB1_49 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 426 OE2_GB1_42 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 428 -OE2_GB1_42 CB_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 430 -OE2_GB1_42 CG_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 431 -OE2_GB1_42 CD_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 432 -OE2_GB1_42 CE_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 433 +OE2_GB1_42 CB_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 430 +OE2_GB1_42 CG_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 431 +OE2_GB1_42 CD_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 432 +OE2_GB1_42 CE_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 433 OE2_GB1_42 O_GB1_50 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 436 OE2_GB1_42 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 438 -OE2_GB1_42 CB_GB1_51 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 440 +OE2_GB1_42 CB_GB1_51 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 440 OE2_GB1_42 CG2_GB1_51 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 442 OE2_GB1_42 O_GB1_51 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 444 OE2_GB1_42 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 446 -OE2_GB1_42 CB_GB1_52 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 448 +OE2_GB1_42 CB_GB1_52 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 448 OE2_GB1_42 O_GB1_52 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 456 OE2_GB1_42 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 458 -OE2_GB1_42 CB_GB1_53 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 460 +OE2_GB1_42 CB_GB1_53 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 460 OE2_GB1_42 CG2_GB1_53 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 462 OE2_GB1_42 O_GB1_53 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 464 OE2_GB1_42 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 466 -OE2_GB1_42 CB_GB1_54 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 468 +OE2_GB1_42 CB_GB1_54 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 468 OE2_GB1_42 CG1_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 469 OE2_GB1_42 CG2_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 470 OE2_GB1_42 O_GB1_54 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 472 @@ -40908,41 +40908,41 @@ OE2_GB1_42 CB_GB1_55 1 2.050578e-03 7.310102e-06 ; 3.908480e-01 1.438034e- OE2_GB1_42 CG2_GB1_55 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 478 OE2_GB1_42 O_GB1_55 1 4.501392e-04 2.971723e-07 ; 2.950826e-01 1.704611e-01 3.080678e-02 5.855471e-04 0.004395 0.001132 True md_ensemble 7 356 480 OE2_GB1_42 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 482 -OE2_GB1_42 CB_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 484 -OE2_GB1_42 CG_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 485 +OE2_GB1_42 CB_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 484 +OE2_GB1_42 CG_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 485 OE2_GB1_42 OE1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 487 OE2_GB1_42 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 356 488 OE2_GB1_42 O1_GB1_56 1 2.236237e-04 1.611582e-07 ; 2.994257e-01 7.757525e-02 5.090205e-03 6.533569e-04 0.004395 0.001132 True md_ensemble 7 356 490 OE2_GB1_42 O2_GB1_56 1 2.236237e-04 1.611582e-07 ; 2.994257e-01 7.757525e-02 5.090205e-03 6.533569e-04 0.004395 0.001132 True md_ensemble 7 356 491 - C_GB1_42 CB_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 357 362 - C_GB1_42 CG_GB1_43 1 0.000000e+00 2.432199e-06 ; 3.033856e-01 -2.432199e-06 9.999945e-01 9.359704e-01 0.004395 0.001132 True md_ensemble 4 357 363 - C_GB1_42 CD1_GB1_43 1 0.000000e+00 1.820080e-06 ; 2.961437e-01 -1.820080e-06 9.999337e-01 7.003498e-01 0.004395 0.001132 True md_ensemble 5 357 364 - C_GB1_42 CD2_GB1_43 1 0.000000e+00 3.412099e-06 ; 3.120663e-01 -3.412099e-06 9.541417e-02 4.084823e-01 0.004395 0.001132 True md_ensemble 5 357 365 - C_GB1_42 NE1_GB1_43 1 0.000000e+00 1.901264e-06 ; 2.972226e-01 -1.901264e-06 1.800273e-01 1.410037e-01 0.004395 0.001132 True md_ensemble 6 357 366 + C_GB1_42 CB_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 357 362 + C_GB1_42 CG_GB1_43 1 0.000000e+00 2.432156e-06 ; 3.033851e-01 -2.432156e-06 9.999945e-01 9.359704e-01 0.004395 0.001132 True md_ensemble 4 357 363 + C_GB1_42 CD1_GB1_43 1 0.000000e+00 1.820048e-06 ; 2.961433e-01 -1.820048e-06 9.999337e-01 7.003498e-01 0.004395 0.001132 True md_ensemble 5 357 364 + C_GB1_42 CD2_GB1_43 1 0.000000e+00 3.412039e-06 ; 3.120658e-01 -3.412039e-06 9.541417e-02 4.084823e-01 0.004395 0.001132 True md_ensemble 5 357 365 + C_GB1_42 NE1_GB1_43 1 0.000000e+00 1.901229e-06 ; 2.972222e-01 -1.901229e-06 1.800273e-01 1.410037e-01 0.004395 0.001132 True md_ensemble 6 357 366 C_GB1_42 CE2_GB1_43 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 1.801327e-03 9.001735e-02 0.004395 0.001132 True md_ensemble 6 357 367 C_GB1_42 CE3_GB1_43 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 6.195000e-05 2.246296e-01 0.004395 0.001132 True md_ensemble 6 357 368 - C_GB1_42 O_GB1_43 1 0.000000e+00 7.148553e-07 ; 2.739554e-01 -7.148553e-07 9.983517e-01 8.628072e-01 0.004395 0.001132 True md_ensemble 4 357 373 - C_GB1_42 N_GB1_44 1 0.000000e+00 1.454751e-06 ; 2.906659e-01 -1.454751e-06 9.996164e-01 9.642102e-01 0.004395 0.001132 True md_ensemble 4 357 374 - C_GB1_42 CA_GB1_44 1 0.000000e+00 1.218970e-05 ; 3.469986e-01 -1.218970e-05 9.045889e-01 8.385317e-01 0.004395 0.001132 True md_ensemble 5 357 376 - C_GB1_42 CB_GB1_44 1 0.000000e+00 1.407718e-05 ; 3.511866e-01 -1.407718e-05 3.361825e-01 4.147395e-01 0.004395 0.001132 True md_ensemble 6 357 377 - C_GB1_42 OG1_GB1_44 1 0.000000e+00 1.209090e-06 ; 2.862199e-01 -1.209090e-06 2.668120e-02 8.546511e-02 0.004395 0.011584 True md_ensemble 7 357 378 - C_GB1_42 CG2_GB1_44 1 0.000000e+00 4.928781e-06 ; 3.217782e-01 -4.928781e-06 9.798724e-02 1.408693e-01 0.004395 0.001132 True md_ensemble 7 357 379 + C_GB1_42 O_GB1_43 1 0.000000e+00 7.148520e-07 ; 2.739553e-01 -7.148520e-07 9.983517e-01 8.628072e-01 0.004395 0.001132 True md_ensemble 4 357 373 + C_GB1_42 N_GB1_44 1 0.000000e+00 1.454730e-06 ; 2.906655e-01 -1.454730e-06 9.996164e-01 9.642102e-01 0.004395 0.001132 True md_ensemble 4 357 374 + C_GB1_42 CA_GB1_44 1 0.000000e+00 1.218963e-05 ; 3.469985e-01 -1.218963e-05 9.045889e-01 8.385317e-01 0.004395 0.001132 True md_ensemble 5 357 376 + C_GB1_42 CB_GB1_44 1 0.000000e+00 1.407711e-05 ; 3.511865e-01 -1.407711e-05 3.361825e-01 4.147395e-01 0.004395 0.001132 True md_ensemble 6 357 377 + C_GB1_42 OG1_GB1_44 1 0.000000e+00 1.209070e-06 ; 2.862196e-01 -1.209070e-06 2.668120e-02 8.546511e-02 0.004395 0.011584 True md_ensemble 7 357 378 + C_GB1_42 CG2_GB1_44 1 0.000000e+00 4.928717e-06 ; 3.217779e-01 -4.928717e-06 9.798724e-02 1.408693e-01 0.004395 0.001132 True md_ensemble 7 357 379 C_GB1_42 C_GB1_44 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 0.000000e+00 1.446054e-01 0.004395 0.001132 True md_ensemble 6 357 380 - C_GB1_42 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 357 385 - C_GB1_42 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 357 398 - C_GB1_42 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 357 407 - C_GB1_42 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 357 416 - C_GB1_42 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 357 422 - C_GB1_42 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 357 424 - C_GB1_42 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 357 430 - C_GB1_42 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 357 431 - C_GB1_42 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 357 432 - C_GB1_42 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 357 433 - C_GB1_42 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 357 440 - C_GB1_42 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 357 442 - C_GB1_42 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 357 448 - C_GB1_42 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 357 460 - C_GB1_42 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 357 462 + C_GB1_42 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 357 385 + C_GB1_42 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 357 398 + C_GB1_42 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 357 407 + C_GB1_42 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 357 416 + C_GB1_42 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 357 422 + C_GB1_42 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 357 424 + C_GB1_42 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 357 430 + C_GB1_42 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 357 431 + C_GB1_42 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 357 432 + C_GB1_42 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 357 433 + C_GB1_42 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 357 440 + C_GB1_42 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 357 442 + C_GB1_42 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 357 448 + C_GB1_42 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 357 460 + C_GB1_42 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 357 462 C_GB1_42 C_GB1_53 1 5.019812e-03 3.395156e-05 ; 4.348726e-01 1.855475e-01 4.127082e-02 0.000000e+00 0.004395 0.011584 True md_ensemble 7 357 463 C_GB1_42 O_GB1_53 1 3.611583e-03 9.969677e-06 ; 3.745392e-01 3.270802e-01 6.413003e-01 0.000000e+00 0.004395 0.011584 True md_ensemble 7 357 464 C_GB1_42 CA_GB1_54 1 4.730875e-03 1.598662e-05 ; 3.873788e-01 3.499987e-01 9.999748e-01 0.000000e+00 0.004395 0.008482 True md_ensemble 7 357 467 @@ -40957,19 +40957,19 @@ OE2_GB1_42 O2_GB1_56 1 2.236237e-04 1.611582e-07 ; 2.994257e-01 7.757525e- C_GB1_42 CG2_GB1_55 1 3.295037e-03 1.627013e-05 ; 4.126563e-01 1.668283e-01 2.871210e-02 6.576103e-04 0.004395 0.001132 True md_ensemble 7 357 478 C_GB1_42 C_GB1_55 1 7.401503e-03 4.720928e-05 ; 4.306435e-01 2.901032e-01 3.131770e-01 0.000000e+00 0.004395 0.011584 True md_ensemble 7 357 479 C_GB1_42 O_GB1_55 1 3.400894e-03 8.536394e-06 ; 3.686494e-01 3.387284e-01 8.037407e-01 5.834282e-07 0.004395 0.011584 True md_ensemble 7 357 480 - C_GB1_42 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 357 484 - C_GB1_42 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 357 485 + C_GB1_42 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 357 484 + C_GB1_42 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 357 485 O_GB1_42 O_GB1_42 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 358 358 O_GB1_42 H_GB1_43 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 358 360 - O_GB1_42 CB_GB1_43 1 0.000000e+00 2.015651e-06 ; 2.986732e-01 -2.015651e-06 1.000000e+00 9.999973e-01 0.004395 0.001132 True md_ensemble 4 358 362 - O_GB1_42 CG_GB1_43 1 0.000000e+00 7.737691e-07 ; 2.757693e-01 -7.737691e-07 4.502758e-01 3.859742e-01 0.004395 0.001132 True md_ensemble 5 358 363 - O_GB1_42 CD1_GB1_43 1 0.000000e+00 6.960045e-07 ; 2.733460e-01 -6.960045e-07 4.480542e-01 2.897139e-01 0.004395 0.001132 True md_ensemble 6 358 364 + O_GB1_42 CB_GB1_43 1 0.000000e+00 2.015643e-06 ; 2.986731e-01 -2.015643e-06 1.000000e+00 9.999973e-01 0.004395 0.001132 True md_ensemble 4 358 362 + O_GB1_42 CG_GB1_43 1 0.000000e+00 7.737655e-07 ; 2.757692e-01 -7.737655e-07 4.502758e-01 3.859742e-01 0.004395 0.001132 True md_ensemble 5 358 363 + O_GB1_42 CD1_GB1_43 1 0.000000e+00 6.960013e-07 ; 2.733459e-01 -6.960013e-07 4.480542e-01 2.897139e-01 0.004395 0.001132 True md_ensemble 6 358 364 O_GB1_42 CD2_GB1_43 1 0.000000e+00 8.269429e-07 ; 2.773009e-01 -8.269429e-07 2.123880e-03 1.021626e-01 0.004395 0.001132 True md_ensemble 6 358 365 - O_GB1_42 C_GB1_43 1 0.000000e+00 8.210869e-07 ; 2.771367e-01 -8.210869e-07 9.999989e-01 9.929174e-01 0.004395 0.001132 True md_ensemble 4 358 372 + O_GB1_42 C_GB1_43 1 0.000000e+00 8.210831e-07 ; 2.771366e-01 -8.210831e-07 9.999989e-01 9.929174e-01 0.004395 0.001132 True md_ensemble 4 358 372 O_GB1_42 O_GB1_43 1 0.000000e+00 1.260891e-06 ; 2.872223e-01 -1.260891e-06 9.606092e-01 8.012032e-01 0.004395 0.001132 True md_ensemble 5 358 373 O_GB1_42 N_GB1_44 1 0.000000e+00 1.310555e-06 ; 2.881484e-01 -1.310555e-06 9.986457e-01 8.723487e-01 0.004395 0.001132 True md_ensemble 5 358 374 - O_GB1_42 H_GB1_44 1 0.000000e+00 1.584619e-08 ; 1.994445e-01 -1.584619e-08 1.580932e-01 1.793604e-01 0.004395 0.001132 True md_ensemble 6 358 375 - O_GB1_42 CA_GB1_44 1 0.000000e+00 4.324600e-06 ; 3.182906e-01 -4.324600e-06 5.093852e-01 5.505808e-01 0.004395 0.001132 True md_ensemble 6 358 376 + O_GB1_42 H_GB1_44 1 0.000000e+00 1.584644e-08 ; 1.994448e-01 -1.584644e-08 1.580932e-01 1.793604e-01 0.004395 0.001132 True md_ensemble 6 358 375 + O_GB1_42 CA_GB1_44 1 0.000000e+00 4.324635e-06 ; 3.182908e-01 -4.324635e-06 5.093852e-01 5.505808e-01 0.004395 0.001132 True md_ensemble 6 358 376 O_GB1_42 CB_GB1_44 1 2.677060e-03 1.585388e-05 ; 4.253498e-01 1.130110e-01 2.784988e-01 2.164200e-01 0.004395 0.007862 True md_ensemble 7 358 377 O_GB1_42 OG1_GB1_44 1 2.715289e-04 1.915065e-07 ; 2.983513e-01 9.624729e-02 4.407766e-02 6.984996e-02 0.004395 0.011584 True md_ensemble 7 358 378 O_GB1_42 CG2_GB1_44 1 0.000000e+00 1.603234e-06 ; 2.930295e-01 -1.603234e-06 6.052240e-02 1.265081e-01 0.004395 0.007862 True md_ensemble 7 358 379 @@ -41036,45 +41036,45 @@ OE2_GB1_42 O2_GB1_56 1 2.236237e-04 1.611582e-07 ; 2.994257e-01 7.757525e- O_GB1_42 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 358 488 O_GB1_42 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 358 490 O_GB1_42 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 358 491 - N_GB1_43 CB_GB1_43 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 359 362 - N_GB1_43 CD1_GB1_43 1 0.000000e+00 1.410956e-06 ; 2.899264e-01 -1.410956e-06 1.000000e+00 9.355552e-01 0.004395 0.001132 True md_ensemble 4 359 364 - N_GB1_43 CD2_GB1_43 1 0.000000e+00 1.228786e-06 ; 2.866056e-01 -1.228786e-06 9.695624e-01 7.843271e-01 0.004395 0.001132 True md_ensemble 4 359 365 - N_GB1_43 NE1_GB1_43 1 0.000000e+00 8.547799e-07 ; 2.780670e-01 -8.547799e-07 6.693700e-01 4.137845e-01 0.004395 0.001132 True md_ensemble 5 359 366 - N_GB1_43 CE2_GB1_43 1 0.000000e+00 1.892311e-06 ; 2.971057e-01 -1.892311e-06 1.150185e-02 2.662264e-01 0.004395 0.001132 True md_ensemble 5 359 367 + N_GB1_43 CB_GB1_43 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 359 362 + N_GB1_43 CD1_GB1_43 1 0.000000e+00 1.410937e-06 ; 2.899261e-01 -1.410937e-06 1.000000e+00 9.355552e-01 0.004395 0.001132 True md_ensemble 4 359 364 + N_GB1_43 CD2_GB1_43 1 0.000000e+00 1.228769e-06 ; 2.866053e-01 -1.228769e-06 9.695624e-01 7.843271e-01 0.004395 0.001132 True md_ensemble 4 359 365 + N_GB1_43 NE1_GB1_43 1 0.000000e+00 8.547674e-07 ; 2.780667e-01 -8.547674e-07 6.693700e-01 4.137845e-01 0.004395 0.001132 True md_ensemble 5 359 366 + N_GB1_43 CE2_GB1_43 1 0.000000e+00 1.892285e-06 ; 2.971054e-01 -1.892285e-06 1.150185e-02 2.662264e-01 0.004395 0.001132 True md_ensemble 5 359 367 N_GB1_43 CE3_GB1_43 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 3.680905e-03 3.984162e-01 0.004395 0.001132 True md_ensemble 5 359 368 N_GB1_43 CZ2_GB1_43 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 0.000000e+00 5.988544e-04 0.004395 0.001132 True md_ensemble 6 359 369 N_GB1_43 CZ3_GB1_43 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 0.000000e+00 5.698697e-02 0.004395 0.001132 True md_ensemble 6 359 370 - N_GB1_43 CA_GB1_44 1 0.000000e+00 7.574568e-06 ; 3.335095e-01 -7.574568e-06 1.000000e+00 9.999437e-01 0.004395 0.001132 True md_ensemble 4 359 376 - N_GB1_43 CB_GB1_44 1 0.000000e+00 9.635903e-06 ; 3.402666e-01 -9.635903e-06 2.925037e-01 5.645710e-01 0.004395 0.001132 True md_ensemble 5 359 377 + N_GB1_43 CA_GB1_44 1 0.000000e+00 7.574556e-06 ; 3.335094e-01 -7.574556e-06 1.000000e+00 9.999437e-01 0.004395 0.001132 True md_ensemble 4 359 376 + N_GB1_43 CB_GB1_44 1 0.000000e+00 9.635888e-06 ; 3.402666e-01 -9.635888e-06 2.925037e-01 5.645710e-01 0.004395 0.001132 True md_ensemble 5 359 377 N_GB1_43 OG1_GB1_44 1 0.000000e+00 6.627671e-07 ; 2.722336e-01 -6.627671e-07 2.214918e-03 5.435297e-02 0.004395 0.001132 True md_ensemble 6 359 378 - N_GB1_43 CG2_GB1_44 1 0.000000e+00 2.995401e-06 ; 3.086974e-01 -2.995401e-06 5.332639e-02 1.453721e-01 0.004395 0.001132 True md_ensemble 6 359 379 + N_GB1_43 CG2_GB1_44 1 0.000000e+00 2.995372e-06 ; 3.086971e-01 -2.995372e-06 5.332639e-02 1.453721e-01 0.004395 0.001132 True md_ensemble 6 359 379 N_GB1_43 C_GB1_44 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 0.000000e+00 7.839798e-02 0.004395 0.001132 True md_ensemble 5 359 380 N_GB1_43 O_GB1_44 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 0.000000e+00 1.205262e-01 0.004395 0.001132 True md_ensemble 6 359 381 N_GB1_43 N_GB1_45 1 0.000000e+00 8.752940e-07 ; 2.786171e-01 -8.752940e-07 0.000000e+00 6.586364e-02 0.004395 0.001132 True md_ensemble 6 359 382 - N_GB1_43 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 359 385 + N_GB1_43 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 359 385 N_GB1_43 N_GB1_46 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 8.021206e-04 0.004395 0.001132 True md_ensemble 7 359 395 - N_GB1_43 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 359 398 + N_GB1_43 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 359 398 N_GB1_43 N_GB1_47 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.000590e-04 0.004395 0.001132 True md_ensemble 7 359 404 - N_GB1_43 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 359 407 + N_GB1_43 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 359 407 N_GB1_43 N_GB1_48 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 4.184840e-05 0.004395 0.001132 True md_ensemble 7 359 413 - N_GB1_43 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 359 416 + N_GB1_43 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 359 416 N_GB1_43 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 359 419 - N_GB1_43 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 359 422 - N_GB1_43 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 359 424 + N_GB1_43 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 359 422 + N_GB1_43 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 359 424 N_GB1_43 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 359 427 - N_GB1_43 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 359 430 - N_GB1_43 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 359 431 - N_GB1_43 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 359 432 - N_GB1_43 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 359 433 + N_GB1_43 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 359 430 + N_GB1_43 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 359 431 + N_GB1_43 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 359 432 + N_GB1_43 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 359 433 N_GB1_43 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 3.385944e-04 0.004395 0.001132 True md_ensemble 7 359 434 N_GB1_43 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 359 437 - N_GB1_43 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 359 440 - N_GB1_43 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 359 442 + N_GB1_43 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 359 440 + N_GB1_43 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 359 442 N_GB1_43 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 359 445 - N_GB1_43 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 359 448 + N_GB1_43 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 359 448 N_GB1_43 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 359 457 - N_GB1_43 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 359 460 - N_GB1_43 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 359 462 + N_GB1_43 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 359 460 + N_GB1_43 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 359 462 N_GB1_43 O_GB1_53 1 4.699884e-03 1.610608e-05 ; 3.882848e-01 3.428661e-01 8.708565e-01 0.000000e+00 0.004395 0.011584 True md_ensemble 7 359 464 N_GB1_43 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 359 465 N_GB1_43 CA_GB1_54 1 8.691393e-03 5.401731e-05 ; 4.287860e-01 3.496117e-01 9.925009e-01 0.000000e+00 0.004395 0.008482 True md_ensemble 7 359 467 @@ -41082,13 +41082,13 @@ OE2_GB1_42 O2_GB1_56 1 2.236237e-04 1.611582e-07 ; 2.994257e-01 7.757525e- N_GB1_43 CG1_GB1_54 1 5.075681e-03 2.112004e-05 ; 4.010514e-01 3.049538e-01 4.176398e-01 2.467623e-04 0.004395 0.001132 True md_ensemble 7 359 469 N_GB1_43 CG2_GB1_54 1 5.243867e-03 2.347771e-05 ; 4.059763e-01 2.928111e-01 3.300542e-01 1.886801e-04 0.004395 0.001132 True md_ensemble 7 359 470 N_GB1_43 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.696425e-04 0.000000e+00 0.004395 0.001132 True md_ensemble 7 359 473 - N_GB1_43 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 359 476 - N_GB1_43 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 359 478 + N_GB1_43 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 359 476 + N_GB1_43 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 359 478 N_GB1_43 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 359 481 - N_GB1_43 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 359 484 - N_GB1_43 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 359 485 + N_GB1_43 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 359 484 + N_GB1_43 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 359 485 H_GB1_43 H_GB1_43 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 360 360 - H_GB1_43 O_GB1_43 1 0.000000e+00 8.290608e-09 ; 1.889632e-01 -8.290608e-09 8.138126e-01 3.481321e-01 0.004395 0.001132 True md_ensemble 4 360 373 + H_GB1_43 O_GB1_43 1 0.000000e+00 8.290739e-09 ; 1.889634e-01 -8.290739e-09 8.138126e-01 3.481321e-01 0.004395 0.001132 True md_ensemble 4 360 373 H_GB1_43 H_GB1_44 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 360 375 H_GB1_43 OG1_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 360 378 H_GB1_43 O_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 360 381 @@ -41128,19 +41128,19 @@ OE2_GB1_42 O2_GB1_56 1 2.236237e-04 1.611582e-07 ; 2.994257e-01 7.757525e- H_GB1_43 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 360 488 H_GB1_43 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 360 490 H_GB1_43 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 360 491 - CA_GB1_43 NE1_GB1_43 1 0.000000e+00 9.937311e-06 ; 3.411411e-01 -9.937311e-06 9.999977e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 361 366 - CA_GB1_43 CE2_GB1_43 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 361 367 - CA_GB1_43 CE3_GB1_43 1 0.000000e+00 1.305164e-05 ; 3.489799e-01 -1.305164e-05 1.000000e+00 9.999830e-01 0.004395 0.001132 True md_ensemble 4 361 368 - CA_GB1_43 CZ2_GB1_43 1 0.000000e+00 1.429227e-05 ; 3.516307e-01 -1.429227e-05 5.315300e-02 1.481899e-01 0.004395 0.001132 True md_ensemble 5 361 369 - CA_GB1_43 CZ3_GB1_43 1 0.000000e+00 1.287731e-05 ; 3.485891e-01 -1.287731e-05 5.013414e-01 4.879672e-01 0.004395 0.001132 True md_ensemble 5 361 370 + CA_GB1_43 NE1_GB1_43 1 0.000000e+00 9.937254e-06 ; 3.411410e-01 -9.937254e-06 9.999977e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 361 366 + CA_GB1_43 CE2_GB1_43 1 0.000000e+00 1.305180e-05 ; 3.489803e-01 -1.305180e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 361 367 + CA_GB1_43 CE3_GB1_43 1 0.000000e+00 1.305158e-05 ; 3.489798e-01 -1.305158e-05 1.000000e+00 9.999830e-01 0.004395 0.001132 True md_ensemble 4 361 368 + CA_GB1_43 CZ2_GB1_43 1 0.000000e+00 1.429220e-05 ; 3.516305e-01 -1.429220e-05 5.315300e-02 1.481899e-01 0.004395 0.001132 True md_ensemble 5 361 369 + CA_GB1_43 CZ3_GB1_43 1 0.000000e+00 1.287724e-05 ; 3.485889e-01 -1.287724e-05 5.013414e-01 4.879672e-01 0.004395 0.001132 True md_ensemble 5 361 370 CA_GB1_43 CH2_GB1_43 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 1.015010e-03 2.187165e-02 0.004395 0.001132 True md_ensemble 6 361 371 - CA_GB1_43 CB_GB1_44 1 0.000000e+00 6.555574e-05 ; 3.992202e-01 -6.555574e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 361 377 - CA_GB1_43 OG1_GB1_44 1 0.000000e+00 6.135102e-06 ; 3.277028e-01 -6.135102e-06 6.848095e-01 7.544369e-01 0.004395 0.001132 True md_ensemble 5 361 378 - CA_GB1_43 CG2_GB1_44 1 0.000000e+00 2.825956e-05 ; 3.721849e-01 -2.825956e-05 5.354349e-01 7.259172e-01 0.004395 0.001132 True md_ensemble 5 361 379 - CA_GB1_43 C_GB1_44 1 0.000000e+00 1.305185e-05 ; 3.489804e-01 -1.305185e-05 9.999964e-01 9.999953e-01 0.004395 0.001132 True md_ensemble 4 361 380 - CA_GB1_43 O_GB1_44 1 0.000000e+00 2.204314e-06 ; 3.009085e-01 -2.204314e-06 9.056426e-01 4.363558e-01 0.004395 0.001132 True md_ensemble 5 361 381 - CA_GB1_43 N_GB1_45 1 0.000000e+00 1.051364e-05 ; 3.427476e-01 -1.051364e-05 2.542170e-01 6.421566e-01 0.004395 0.001132 True md_ensemble 5 361 382 - CA_GB1_43 CA_GB1_45 1 0.000000e+00 9.326514e-05 ; 4.111228e-01 -9.326514e-05 2.116960e-01 6.343805e-01 0.004395 0.001132 True md_ensemble 6 361 384 + CA_GB1_43 CB_GB1_44 1 0.000000e+00 6.555622e-05 ; 3.992205e-01 -6.555622e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 361 377 + CA_GB1_43 OG1_GB1_44 1 0.000000e+00 6.135082e-06 ; 3.277027e-01 -6.135082e-06 6.848095e-01 7.544369e-01 0.004395 0.001132 True md_ensemble 5 361 378 + CA_GB1_43 CG2_GB1_44 1 0.000000e+00 2.825955e-05 ; 3.721849e-01 -2.825955e-05 5.354349e-01 7.259172e-01 0.004395 0.001132 True md_ensemble 5 361 379 + CA_GB1_43 C_GB1_44 1 0.000000e+00 1.305178e-05 ; 3.489802e-01 -1.305178e-05 9.999964e-01 9.999953e-01 0.004395 0.001132 True md_ensemble 4 361 380 + CA_GB1_43 O_GB1_44 1 0.000000e+00 2.204332e-06 ; 3.009087e-01 -2.204332e-06 9.056426e-01 4.363558e-01 0.004395 0.001132 True md_ensemble 5 361 381 + CA_GB1_43 N_GB1_45 1 0.000000e+00 1.051362e-05 ; 3.427475e-01 -1.051362e-05 2.542170e-01 6.421566e-01 0.004395 0.001132 True md_ensemble 5 361 382 + CA_GB1_43 CA_GB1_45 1 0.000000e+00 9.326582e-05 ; 4.111231e-01 -9.326582e-05 2.116960e-01 6.343805e-01 0.004395 0.001132 True md_ensemble 6 361 384 CA_GB1_43 CA_GB1_52 1 3.045563e-02 9.320181e-04 ; 5.592759e-01 2.488003e-01 1.406382e-01 1.437051e-03 0.004395 0.006476 True md_ensemble 7 361 447 CA_GB1_43 CB_GB1_52 1 1.664879e-02 3.403205e-04 ; 5.228987e-01 2.036184e-01 5.858185e-02 2.486806e-03 0.004395 0.007117 True md_ensemble 7 361 448 CA_GB1_43 CD1_GB1_52 1 7.301236e-03 8.889566e-05 ; 4.796385e-01 1.499175e-01 2.068761e-02 3.698758e-03 0.004395 0.010759 True md_ensemble 7 361 450 @@ -41159,87 +41159,87 @@ OE2_GB1_42 O2_GB1_56 1 2.236237e-04 1.611582e-07 ; 2.994257e-01 7.757525e- CA_GB1_43 N_GB1_55 1 1.279378e-02 1.320257e-04 ; 4.665984e-01 3.099413e-01 4.600309e-01 0.000000e+00 0.004395 0.008482 True md_ensemble 7 361 473 CA_GB1_43 CA_GB1_55 1 3.475834e-02 1.163125e-03 ; 5.676682e-01 2.596759e-01 1.736418e-01 6.776434e-04 0.004395 0.006476 True md_ensemble 7 361 475 CA_GB1_43 CB_GB1_55 1 2.253111e-02 7.462150e-04 ; 5.666918e-01 1.700753e-01 3.057723e-02 2.650806e-03 0.004395 0.006476 True md_ensemble 7 361 476 - CB_GB1_43 NE1_GB1_43 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 366 - CB_GB1_43 CZ2_GB1_43 1 0.000000e+00 6.331951e-06 ; 3.285664e-01 -6.331951e-06 9.999640e-01 9.996466e-01 0.004395 0.001132 True md_ensemble 4 362 369 - CB_GB1_43 CZ3_GB1_43 1 0.000000e+00 6.333946e-06 ; 3.285750e-01 -6.333946e-06 1.000000e+00 9.999977e-01 0.004395 0.001132 True md_ensemble 4 362 370 - CB_GB1_43 CH2_GB1_43 1 0.000000e+00 6.458889e-06 ; 3.291103e-01 -6.458889e-06 5.467182e-01 5.664417e-01 0.004395 0.001132 True md_ensemble 5 362 371 - CB_GB1_43 C_GB1_43 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 372 + CB_GB1_43 NE1_GB1_43 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 366 + CB_GB1_43 CZ2_GB1_43 1 0.000000e+00 6.331844e-06 ; 3.285659e-01 -6.331844e-06 9.999640e-01 9.996466e-01 0.004395 0.001132 True md_ensemble 4 362 369 + CB_GB1_43 CZ3_GB1_43 1 0.000000e+00 6.333840e-06 ; 3.285746e-01 -6.333840e-06 1.000000e+00 9.999977e-01 0.004395 0.001132 True md_ensemble 4 362 370 + CB_GB1_43 CH2_GB1_43 1 0.000000e+00 6.458780e-06 ; 3.291098e-01 -6.458780e-06 5.467182e-01 5.664417e-01 0.004395 0.001132 True md_ensemble 5 362 371 + CB_GB1_43 C_GB1_43 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 372 CB_GB1_43 O_GB1_43 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 373 - CB_GB1_43 N_GB1_44 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 374 - CB_GB1_43 CA_GB1_44 1 0.000000e+00 3.181378e-05 ; 3.758775e-01 -3.181378e-05 9.999942e-01 9.999982e-01 0.004395 0.001132 True md_ensemble 4 362 376 - CB_GB1_43 CB_GB1_44 1 0.000000e+00 3.140871e-05 ; 3.754763e-01 -3.140871e-05 9.191943e-01 9.064657e-01 0.004395 0.001132 True md_ensemble 5 362 377 - CB_GB1_43 OG1_GB1_44 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 378 + CB_GB1_43 N_GB1_44 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 374 + CB_GB1_43 CA_GB1_44 1 0.000000e+00 3.181365e-05 ; 3.758773e-01 -3.181365e-05 9.999942e-01 9.999982e-01 0.004395 0.001132 True md_ensemble 4 362 376 + CB_GB1_43 CB_GB1_44 1 0.000000e+00 3.140858e-05 ; 3.754761e-01 -3.140858e-05 9.191943e-01 9.064657e-01 0.004395 0.001132 True md_ensemble 5 362 377 + CB_GB1_43 OG1_GB1_44 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 378 CB_GB1_43 CG2_GB1_44 1 0.000000e+00 1.151981e-05 ; 3.453680e-01 -1.151981e-05 1.191360e-03 2.379036e-01 0.004395 0.001132 True md_ensemble 6 362 379 - CB_GB1_43 C_GB1_44 1 0.000000e+00 3.518408e-06 ; 3.128651e-01 -3.518408e-06 8.579585e-01 4.134415e-01 0.004395 0.001132 True md_ensemble 5 362 380 - CB_GB1_43 O_GB1_44 1 0.000000e+00 1.971447e-06 ; 2.981218e-01 -1.971447e-06 1.422163e-01 1.202833e-01 0.004395 0.001132 True md_ensemble 6 362 381 - CB_GB1_43 N_GB1_45 1 0.000000e+00 4.462230e-06 ; 3.191227e-01 -4.462230e-06 7.042390e-03 2.208974e-01 0.004395 0.001132 True md_ensemble 6 362 382 - CB_GB1_43 CA_GB1_45 1 0.000000e+00 3.879471e-05 ; 3.821431e-01 -3.879471e-05 1.643103e-02 2.358669e-01 0.004395 0.007117 True md_ensemble 7 362 384 - CB_GB1_43 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 392 - CB_GB1_43 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 393 + CB_GB1_43 C_GB1_44 1 0.000000e+00 3.518349e-06 ; 3.128647e-01 -3.518349e-06 8.579585e-01 4.134415e-01 0.004395 0.001132 True md_ensemble 5 362 380 + CB_GB1_43 O_GB1_44 1 0.000000e+00 1.971440e-06 ; 2.981217e-01 -1.971440e-06 1.422163e-01 1.202833e-01 0.004395 0.001132 True md_ensemble 6 362 381 + CB_GB1_43 N_GB1_45 1 0.000000e+00 4.462171e-06 ; 3.191223e-01 -4.462171e-06 7.042390e-03 2.208974e-01 0.004395 0.001132 True md_ensemble 6 362 382 + CB_GB1_43 CA_GB1_45 1 0.000000e+00 3.879454e-05 ; 3.821430e-01 -3.879454e-05 1.643103e-02 2.358669e-01 0.004395 0.007117 True md_ensemble 7 362 384 + CB_GB1_43 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 392 + CB_GB1_43 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 393 CB_GB1_43 O_GB1_45 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.576418e-02 0.004395 0.007862 True md_ensemble 7 362 394 - CB_GB1_43 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 395 - CB_GB1_43 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 399 - CB_GB1_43 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 400 - CB_GB1_43 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 401 - CB_GB1_43 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 402 + CB_GB1_43 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 395 + CB_GB1_43 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 399 + CB_GB1_43 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 400 + CB_GB1_43 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 401 + CB_GB1_43 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 402 CB_GB1_43 O_GB1_46 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.627097e-02 0.004395 0.007862 True md_ensemble 7 362 403 - CB_GB1_43 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 404 - CB_GB1_43 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 408 - CB_GB1_43 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 409 - CB_GB1_43 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 410 - CB_GB1_43 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 411 + CB_GB1_43 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 404 + CB_GB1_43 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 408 + CB_GB1_43 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 409 + CB_GB1_43 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 410 + CB_GB1_43 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 411 CB_GB1_43 O_GB1_47 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.891550e-03 0.004395 0.007862 True md_ensemble 7 362 412 - CB_GB1_43 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 413 - CB_GB1_43 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 417 + CB_GB1_43 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 413 + CB_GB1_43 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 417 CB_GB1_43 O_GB1_48 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.718538e-03 0.004395 0.007862 True md_ensemble 7 362 418 - CB_GB1_43 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 419 - CB_GB1_43 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 423 - CB_GB1_43 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 425 + CB_GB1_43 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 419 + CB_GB1_43 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 423 + CB_GB1_43 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 425 CB_GB1_43 O_GB1_49 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.258132e-03 0.004395 0.007862 True md_ensemble 7 362 426 - CB_GB1_43 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 427 - CB_GB1_43 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 434 - CB_GB1_43 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 435 + CB_GB1_43 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 427 + CB_GB1_43 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 434 + CB_GB1_43 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 435 CB_GB1_43 O_GB1_50 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.230279e-03 0.004395 0.007862 True md_ensemble 7 362 436 - CB_GB1_43 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 437 - CB_GB1_43 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 441 - CB_GB1_43 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 443 + CB_GB1_43 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 437 + CB_GB1_43 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 441 + CB_GB1_43 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 443 CB_GB1_43 O_GB1_51 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.174942e-04 0.004395 0.007862 True md_ensemble 7 362 444 - CB_GB1_43 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 445 + CB_GB1_43 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 445 CB_GB1_43 CA_GB1_52 1 1.501300e-02 3.084551e-04 ; 5.233442e-01 1.826766e-01 3.903697e-02 2.674467e-03 0.004395 0.007117 True md_ensemble 7 362 447 CB_GB1_43 CB_GB1_52 1 1.007004e-02 1.187773e-04 ; 4.771083e-01 2.134368e-01 7.086217e-02 3.139835e-03 0.004395 0.007860 True md_ensemble 7 362 448 CB_GB1_43 CD1_GB1_52 1 6.617990e-03 4.532055e-05 ; 4.357742e-01 2.416001e-01 1.223185e-01 2.983269e-03 0.004395 0.012152 True md_ensemble 7 362 450 CB_GB1_43 CD2_GB1_52 1 6.617990e-03 4.532055e-05 ; 4.357742e-01 2.416001e-01 1.223185e-01 2.983269e-03 0.004395 0.012152 True md_ensemble 7 362 451 CB_GB1_43 CE1_GB1_52 1 3.276772e-03 2.226129e-05 ; 4.351951e-01 1.205819e-01 1.171559e-02 6.083831e-03 0.004395 0.012152 True md_ensemble 7 362 452 CB_GB1_43 CE2_GB1_52 1 3.276772e-03 2.226129e-05 ; 4.351951e-01 1.205819e-01 1.171559e-02 6.083831e-03 0.004395 0.012152 True md_ensemble 7 362 453 - CB_GB1_43 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 455 + CB_GB1_43 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 455 CB_GB1_43 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.622015e-04 0.004395 0.007862 True md_ensemble 7 362 456 - CB_GB1_43 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 457 + CB_GB1_43 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 457 CB_GB1_43 CA_GB1_53 1 1.736080e-02 4.070625e-04 ; 5.349936e-01 1.851050e-01 4.091834e-02 2.066512e-03 0.004395 0.007117 True md_ensemble 7 362 459 - CB_GB1_43 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 461 + CB_GB1_43 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 461 CB_GB1_43 C_GB1_53 1 1.054684e-02 9.850008e-05 ; 4.589010e-01 2.823242e-01 2.693437e-01 3.095448e-04 0.004395 0.001132 True md_ensemble 7 362 463 CB_GB1_43 O_GB1_53 1 4.265284e-03 1.362632e-05 ; 3.837707e-01 3.337777e-01 7.301993e-01 4.175525e-04 0.004395 0.007862 True md_ensemble 7 362 464 - CB_GB1_43 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 465 + CB_GB1_43 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 465 CB_GB1_43 CA_GB1_54 1 1.549845e-02 1.716614e-04 ; 4.721327e-01 3.498196e-01 9.965090e-01 1.545737e-03 0.004395 0.007117 True md_ensemble 7 362 467 CB_GB1_43 CB_GB1_54 1 1.491120e-02 1.589693e-04 ; 4.691375e-01 3.496648e-01 9.935240e-01 3.757500e-03 0.004395 0.007117 True md_ensemble 7 362 468 CB_GB1_43 CG1_GB1_54 1 1.136080e-02 1.007657e-04 ; 4.549713e-01 3.202174e-01 5.614236e-01 3.724736e-03 0.004395 0.012151 True md_ensemble 7 362 469 CB_GB1_43 CG2_GB1_54 1 6.071005e-03 2.642717e-05 ; 4.040778e-01 3.486668e-01 9.744904e-01 3.051098e-03 0.004395 0.012151 True md_ensemble 7 362 470 - CB_GB1_43 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 471 + CB_GB1_43 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 471 CB_GB1_43 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.726682e-04 0.004395 0.007862 True md_ensemble 7 362 472 - CB_GB1_43 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 473 - CB_GB1_43 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 477 - CB_GB1_43 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 479 + CB_GB1_43 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 473 + CB_GB1_43 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 477 + CB_GB1_43 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 479 CB_GB1_43 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.235639e-04 0.004395 0.007862 True md_ensemble 7 362 480 - CB_GB1_43 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 481 - CB_GB1_43 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 486 - CB_GB1_43 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 487 - CB_GB1_43 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 488 - CB_GB1_43 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 489 - CB_GB1_43 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 490 - CB_GB1_43 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 491 - CG_GB1_43 CH2_GB1_43 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 363 371 - CG_GB1_43 O_GB1_43 1 0.000000e+00 9.175639e-07 ; 2.797143e-01 -9.175639e-07 5.249726e-01 6.345582e-01 0.004395 0.001132 True md_ensemble 4 363 373 - CG_GB1_43 N_GB1_44 1 0.000000e+00 1.481895e-06 ; 2.911140e-01 -1.481895e-06 7.166931e-01 6.992849e-01 0.004395 0.001132 True md_ensemble 4 363 374 - CG_GB1_43 CA_GB1_44 1 0.000000e+00 1.684686e-05 ; 3.564825e-01 -1.684686e-05 5.790304e-02 3.486658e-01 0.004395 0.001132 True md_ensemble 5 363 376 + CB_GB1_43 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 481 + CB_GB1_43 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 486 + CB_GB1_43 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 487 + CB_GB1_43 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 488 + CB_GB1_43 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 489 + CB_GB1_43 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 490 + CB_GB1_43 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 362 491 + CG_GB1_43 CH2_GB1_43 1 0.000000e+00 2.598524e-06 ; 3.050625e-01 -2.598524e-06 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 363 371 + CG_GB1_43 O_GB1_43 1 0.000000e+00 9.175596e-07 ; 2.797142e-01 -9.175596e-07 5.249726e-01 6.345582e-01 0.004395 0.001132 True md_ensemble 4 363 373 + CG_GB1_43 N_GB1_44 1 0.000000e+00 1.481874e-06 ; 2.911137e-01 -1.481874e-06 7.166931e-01 6.992849e-01 0.004395 0.001132 True md_ensemble 4 363 374 + CG_GB1_43 CA_GB1_44 1 0.000000e+00 1.684677e-05 ; 3.564824e-01 -1.684677e-05 5.790304e-02 3.486658e-01 0.004395 0.001132 True md_ensemble 5 363 376 CG_GB1_43 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 0.000000e+00 1.009195e-01 0.004395 0.001132 True md_ensemble 6 363 377 CG_GB1_43 C_GB1_44 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 0.000000e+00 8.293866e-02 0.004395 0.001132 True md_ensemble 6 363 380 CG_GB1_43 CB_GB1_52 1 2.739366e-03 2.393481e-05 ; 4.538336e-01 7.838088e-02 5.170315e-03 2.331135e-03 0.004395 0.012152 True md_ensemble 7 363 448 @@ -41248,9 +41248,9 @@ OE2_GB1_42 O2_GB1_56 1 2.236237e-04 1.611582e-07 ; 2.994257e-01 7.757525e- CG_GB1_43 CB_GB1_54 1 6.001470e-03 2.573229e-05 ; 4.030604e-01 3.499265e-01 9.985770e-01 2.394038e-03 0.004395 0.010759 True md_ensemble 7 363 468 CG_GB1_43 CG1_GB1_54 1 4.058651e-03 1.231319e-05 ; 3.804797e-01 3.344513e-01 7.397948e-01 2.713613e-03 0.004395 0.020719 True md_ensemble 7 363 469 CG_GB1_43 CG2_GB1_54 1 2.074632e-03 3.074788e-06 ; 3.376595e-01 3.499509e-01 9.990491e-01 1.932891e-03 0.004395 0.020719 True md_ensemble 7 363 470 -CD1_GB1_43 CZ3_GB1_43 1 0.000000e+00 2.598571e-06 ; 3.050630e-01 -2.598571e-06 9.999966e-01 9.999971e-01 0.004395 0.001132 True md_ensemble 4 364 370 -CD1_GB1_43 CH2_GB1_43 1 0.000000e+00 2.598565e-06 ; 3.050630e-01 -2.598565e-06 1.000000e+00 9.999981e-01 0.004395 0.001132 True md_ensemble 4 364 371 -CD1_GB1_43 C_GB1_43 1 0.000000e+00 2.555126e-06 ; 3.046347e-01 -2.555126e-06 9.648847e-01 9.481664e-01 0.004395 0.001132 True md_ensemble 4 364 372 +CD1_GB1_43 CZ3_GB1_43 1 0.000000e+00 2.598525e-06 ; 3.050626e-01 -2.598525e-06 9.999966e-01 9.999971e-01 0.004395 0.001132 True md_ensemble 4 364 370 +CD1_GB1_43 CH2_GB1_43 1 0.000000e+00 2.598519e-06 ; 3.050625e-01 -2.598519e-06 1.000000e+00 9.999981e-01 0.004395 0.001132 True md_ensemble 4 364 371 +CD1_GB1_43 C_GB1_43 1 0.000000e+00 2.555081e-06 ; 3.046342e-01 -2.555081e-06 9.648847e-01 9.481664e-01 0.004395 0.001132 True md_ensemble 4 364 372 CD1_GB1_43 O_GB1_43 1 0.000000e+00 8.269429e-07 ; 2.773009e-01 -8.269429e-07 0.000000e+00 2.559049e-01 0.004395 0.001132 True md_ensemble 5 364 373 CD1_GB1_43 N_GB1_44 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 0.000000e+00 2.966319e-01 0.004395 0.001132 True md_ensemble 5 364 374 CD1_GB1_43 CA_GB1_44 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 0.000000e+00 2.494160e-01 0.004395 0.001132 True md_ensemble 6 364 376 @@ -41258,9 +41258,9 @@ CD1_GB1_43 CA_GB1_54 1 1.148102e-02 9.569651e-05 ; 4.502834e-01 3.443540e- CD1_GB1_43 CB_GB1_54 1 5.198032e-03 1.931750e-05 ; 3.935670e-01 3.496770e-01 9.937585e-01 3.201953e-03 0.004395 0.010759 True md_ensemble 7 364 468 CD1_GB1_43 CG1_GB1_54 1 1.789943e-03 2.382009e-06 ; 3.316531e-01 3.362597e-01 7.661871e-01 3.242874e-03 0.004395 0.020719 True md_ensemble 7 364 469 CD1_GB1_43 CG2_GB1_54 1 2.029230e-03 2.943465e-06 ; 3.364506e-01 3.497386e-01 9.949464e-01 2.193312e-03 0.004395 0.020719 True md_ensemble 7 364 470 -CD2_GB1_43 C_GB1_43 1 0.000000e+00 2.256998e-06 ; 3.015013e-01 -2.256998e-06 7.937108e-01 6.622645e-01 0.004395 0.001132 True md_ensemble 4 365 372 +CD2_GB1_43 C_GB1_43 1 0.000000e+00 2.256958e-06 ; 3.015009e-01 -2.256958e-06 7.937108e-01 6.622645e-01 0.004395 0.001132 True md_ensemble 4 365 372 CD2_GB1_43 O_GB1_43 1 0.000000e+00 8.269429e-07 ; 2.773009e-01 -8.269429e-07 0.000000e+00 1.731919e-01 0.004395 0.001132 True md_ensemble 5 365 373 -CD2_GB1_43 N_GB1_44 1 0.000000e+00 1.758391e-06 ; 2.952940e-01 -1.758391e-06 6.409405e-03 1.723362e-01 0.004395 0.001132 True md_ensemble 5 365 374 +CD2_GB1_43 N_GB1_44 1 0.000000e+00 1.758366e-06 ; 2.952937e-01 -1.758366e-06 6.409405e-03 1.723362e-01 0.004395 0.001132 True md_ensemble 5 365 374 CD2_GB1_43 CA_GB1_44 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 5.506000e-05 1.553758e-01 0.004395 0.001132 True md_ensemble 6 365 376 CD2_GB1_43 CB_GB1_52 1 9.447338e-03 8.088463e-05 ; 4.522995e-01 2.758627e-01 2.376369e-01 2.903907e-03 0.004395 0.012152 True md_ensemble 7 365 448 CD2_GB1_43 CG_GB1_52 1 2.116740e-03 1.338889e-05 ; 4.300439e-01 8.366246e-02 5.727660e-03 1.399796e-03 0.004395 0.020720 True md_ensemble 7 365 449 @@ -41272,35 +41272,35 @@ CD2_GB1_43 CA_GB1_54 1 1.080690e-02 8.482382e-05 ; 4.457959e-01 3.442110e- CD2_GB1_43 CB_GB1_54 1 3.770402e-03 1.015782e-05 ; 3.730229e-01 3.498767e-01 9.976126e-01 2.691265e-03 0.004395 0.010759 True md_ensemble 7 365 468 CD2_GB1_43 CG1_GB1_54 1 5.076326e-03 1.891676e-05 ; 3.937461e-01 3.405589e-01 8.327695e-01 2.919291e-03 0.004395 0.020719 True md_ensemble 7 365 469 CD2_GB1_43 CG2_GB1_54 1 1.202719e-03 1.033579e-06 ; 3.083400e-01 3.498843e-01 9.977597e-01 2.960977e-03 0.004395 0.020719 True md_ensemble 7 365 470 -NE1_GB1_43 CZ3_GB1_43 1 0.000000e+00 1.978458e-06 ; 2.982100e-01 -1.978458e-06 1.000000e+00 9.999932e-01 0.004395 0.001132 True md_ensemble 4 366 370 +NE1_GB1_43 CZ3_GB1_43 1 0.000000e+00 1.978422e-06 ; 2.982096e-01 -1.978422e-06 1.000000e+00 9.999932e-01 0.004395 0.001132 True md_ensemble 4 366 370 NE1_GB1_43 C_GB1_43 1 0.000000e+00 1.978471e-06 ; 2.982102e-01 -1.978471e-06 0.000000e+00 2.138735e-01 0.004395 0.001132 True md_ensemble 5 366 372 NE1_GB1_43 O_GB1_43 1 0.000000e+00 6.296088e-07 ; 2.710717e-01 -6.296088e-07 0.000000e+00 7.514996e-02 0.004395 0.001132 True md_ensemble 6 366 373 NE1_GB1_43 N_GB1_44 1 0.000000e+00 1.148258e-06 ; 2.849913e-01 -1.148258e-06 0.000000e+00 8.348449e-02 0.004395 0.001132 True md_ensemble 6 366 374 -NE1_GB1_43 CB_GB1_44 1 0.000000e+00 9.937288e-06 ; 8.853117e-06 -9.937288e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 366 377 -NE1_GB1_43 CG2_GB1_44 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 366 379 -NE1_GB1_43 CB_GB1_45 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 366 385 -NE1_GB1_43 CB_GB1_46 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 366 398 -NE1_GB1_43 CB_GB1_47 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 366 407 -NE1_GB1_43 CB_GB1_48 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 366 416 -NE1_GB1_43 CB_GB1_49 1 0.000000e+00 9.937288e-06 ; 8.853117e-06 -9.937288e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 366 422 -NE1_GB1_43 CG2_GB1_49 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 366 424 -NE1_GB1_43 CB_GB1_50 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 366 430 -NE1_GB1_43 CG_GB1_50 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 366 431 -NE1_GB1_43 CD_GB1_50 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 366 432 -NE1_GB1_43 CE_GB1_50 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 366 433 -NE1_GB1_43 CB_GB1_51 1 0.000000e+00 9.937288e-06 ; 8.853117e-06 -9.937288e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 366 440 -NE1_GB1_43 CG2_GB1_51 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 366 442 -NE1_GB1_43 CB_GB1_52 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 366 448 -NE1_GB1_43 CB_GB1_53 1 0.000000e+00 9.937288e-06 ; 8.853117e-06 -9.937288e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 366 460 -NE1_GB1_43 CG2_GB1_53 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 366 462 +NE1_GB1_43 CB_GB1_44 1 0.000000e+00 9.937231e-06 ; 8.853066e-06 -9.937231e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 366 377 +NE1_GB1_43 CG2_GB1_44 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 366 379 +NE1_GB1_43 CB_GB1_45 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 366 385 +NE1_GB1_43 CB_GB1_46 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 366 398 +NE1_GB1_43 CB_GB1_47 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 366 407 +NE1_GB1_43 CB_GB1_48 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 366 416 +NE1_GB1_43 CB_GB1_49 1 0.000000e+00 9.937231e-06 ; 8.853066e-06 -9.937231e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 366 422 +NE1_GB1_43 CG2_GB1_49 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 366 424 +NE1_GB1_43 CB_GB1_50 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 366 430 +NE1_GB1_43 CG_GB1_50 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 366 431 +NE1_GB1_43 CD_GB1_50 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 366 432 +NE1_GB1_43 CE_GB1_50 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 366 433 +NE1_GB1_43 CB_GB1_51 1 0.000000e+00 9.937231e-06 ; 8.853066e-06 -9.937231e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 366 440 +NE1_GB1_43 CG2_GB1_51 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 366 442 +NE1_GB1_43 CB_GB1_52 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 366 448 +NE1_GB1_43 CB_GB1_53 1 0.000000e+00 9.937231e-06 ; 8.853066e-06 -9.937231e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 366 460 +NE1_GB1_43 CG2_GB1_53 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 366 462 NE1_GB1_43 CA_GB1_54 1 1.286840e-02 1.280721e-04 ; 4.637903e-01 3.232472e-01 5.953822e-01 2.686949e-03 0.004395 0.008483 True md_ensemble 7 366 467 NE1_GB1_43 CB_GB1_54 1 3.427848e-03 1.045333e-05 ; 3.808075e-01 2.810143e-01 9.945558e-01 4.286054e-03 0.004395 0.001132 True md_ensemble 7 366 468 NE1_GB1_43 CG1_GB1_54 1 1.266701e-03 1.453081e-06 ; 3.235459e-01 2.760570e-01 8.257290e-01 3.917385e-03 0.004395 0.001132 True md_ensemble 7 366 469 NE1_GB1_43 CG2_GB1_54 1 1.219349e-03 1.269667e-06 ; 3.183662e-01 2.927562e-01 9.967996e-01 3.421315e-03 0.004395 0.001132 True md_ensemble 7 366 470 -NE1_GB1_43 CB_GB1_55 1 0.000000e+00 9.937288e-06 ; 8.853117e-06 -9.937288e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 366 476 -NE1_GB1_43 CG2_GB1_55 1 0.000000e+00 3.598319e-06 ; 3.205738e-06 -3.598319e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 366 478 -NE1_GB1_43 CB_GB1_56 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 366 484 -NE1_GB1_43 CG_GB1_56 1 0.000000e+00 4.822483e-06 ; 4.296344e-06 -4.822483e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 366 485 +NE1_GB1_43 CB_GB1_55 1 0.000000e+00 9.937231e-06 ; 8.853066e-06 -9.937231e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 366 476 +NE1_GB1_43 CG2_GB1_55 1 0.000000e+00 3.598270e-06 ; 3.205694e-06 -3.598270e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 366 478 +NE1_GB1_43 CB_GB1_56 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 366 484 +NE1_GB1_43 CG_GB1_56 1 0.000000e+00 4.822399e-06 ; 4.296269e-06 -4.822399e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 366 485 CE2_GB1_43 C_GB1_43 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 0.000000e+00 1.511768e-01 0.004395 0.001132 True md_ensemble 5 367 372 CE2_GB1_43 O_GB1_43 1 0.000000e+00 8.269429e-07 ; 2.773009e-01 -8.269429e-07 0.000000e+00 4.941706e-02 0.004395 0.001132 True md_ensemble 6 367 373 CE2_GB1_43 N_GB1_44 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 0.000000e+00 4.912747e-02 0.004395 0.001132 True md_ensemble 6 367 374 @@ -41308,11 +41308,11 @@ CE2_GB1_43 CA_GB1_54 1 1.287201e-02 1.247233e-04 ; 4.617252e-01 3.321123e- CE2_GB1_43 CB_GB1_54 1 3.259356e-03 7.589792e-06 ; 3.640684e-01 3.499239e-01 9.985260e-01 4.497818e-03 0.004395 0.010759 True md_ensemble 7 367 468 CE2_GB1_43 CG1_GB1_54 1 2.943367e-03 6.224771e-06 ; 3.582722e-01 3.479408e-01 9.608727e-01 3.469946e-03 0.004395 0.020719 True md_ensemble 7 367 469 CE2_GB1_43 CG2_GB1_54 1 1.221647e-03 1.066111e-06 ; 3.091312e-01 3.499686e-01 9.993915e-01 3.815087e-03 0.004395 0.020719 True md_ensemble 7 367 470 -CE3_GB1_43 C_GB1_43 1 0.000000e+00 2.851236e-06 ; 3.074311e-01 -2.851236e-06 2.017516e-01 2.989843e-01 0.004395 0.001132 True md_ensemble 5 368 372 +CE3_GB1_43 C_GB1_43 1 0.000000e+00 2.851185e-06 ; 3.074306e-01 -2.851185e-06 2.017516e-01 2.989843e-01 0.004395 0.001132 True md_ensemble 5 368 372 CE3_GB1_43 O_GB1_43 1 0.000000e+00 8.269429e-07 ; 2.773009e-01 -8.269429e-07 1.269500e-05 1.110997e-01 0.004395 0.001132 True md_ensemble 6 368 373 -CE3_GB1_43 N_GB1_44 1 0.000000e+00 1.618670e-06 ; 2.932636e-01 -1.618670e-06 3.449395e-02 1.077764e-01 0.004395 0.001132 True md_ensemble 6 368 374 -CE3_GB1_43 CA_GB1_44 1 0.000000e+00 1.432097e-05 ; 3.516895e-01 -1.432097e-05 1.549740e-02 1.127327e-01 0.004395 0.010759 True md_ensemble 7 368 376 -CE3_GB1_43 O_GB1_44 1 0.000000e+00 8.578472e-07 ; 2.781501e-01 -8.578472e-07 6.725782e-03 4.409755e-02 0.004395 0.015244 True md_ensemble 7 368 381 +CE3_GB1_43 N_GB1_44 1 0.000000e+00 1.618647e-06 ; 2.932633e-01 -1.618647e-06 3.449395e-02 1.077764e-01 0.004395 0.001132 True md_ensemble 6 368 374 +CE3_GB1_43 CA_GB1_44 1 0.000000e+00 1.432089e-05 ; 3.516893e-01 -1.432089e-05 1.549740e-02 1.127327e-01 0.004395 0.010759 True md_ensemble 7 368 376 +CE3_GB1_43 O_GB1_44 1 0.000000e+00 8.578432e-07 ; 2.781500e-01 -8.578432e-07 6.725782e-03 4.409755e-02 0.004395 0.015244 True md_ensemble 7 368 381 CE3_GB1_43 CA_GB1_52 1 1.434024e-02 1.559048e-04 ; 4.706707e-01 3.297565e-01 6.754466e-01 3.063480e-03 0.004395 0.010759 True md_ensemble 7 368 447 CE3_GB1_43 CB_GB1_52 1 3.812077e-03 1.039835e-05 ; 3.737953e-01 3.493807e-01 9.880672e-01 3.936000e-03 0.004395 0.012152 True md_ensemble 7 368 448 CE3_GB1_43 CG_GB1_52 1 4.201541e-03 1.289985e-05 ; 3.812378e-01 3.421154e-01 8.582780e-01 2.549550e-03 0.004395 0.020720 True md_ensemble 7 368 449 @@ -41364,51 +41364,51 @@ CH2_GB1_43 CA_GB1_54 1 1.049663e-02 1.128548e-04 ; 4.697985e-01 2.440733e- CH2_GB1_43 CB_GB1_54 1 4.644532e-03 1.634287e-05 ; 3.899998e-01 3.299860e-01 6.784578e-01 7.250891e-03 0.004395 0.010759 True md_ensemble 7 371 468 CH2_GB1_43 CG1_GB1_54 1 3.571704e-03 1.097992e-05 ; 3.813180e-01 2.904634e-01 3.153717e-01 5.365069e-03 0.004395 0.020719 True md_ensemble 7 371 469 CH2_GB1_43 CG2_GB1_54 1 2.480819e-03 4.456054e-06 ; 3.486523e-01 3.452866e-01 9.126888e-01 6.280192e-03 0.004395 0.020719 True md_ensemble 7 371 470 - C_GB1_43 CB_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 372 377 - C_GB1_43 OG1_GB1_44 1 0.000000e+00 1.092116e-06 ; 2.838033e-01 -1.092116e-06 9.205998e-01 8.769513e-01 0.004395 0.001132 True md_ensemble 4 372 378 - C_GB1_43 CG2_GB1_44 1 0.000000e+00 4.692062e-06 ; 3.204611e-01 -4.692062e-06 9.994316e-01 9.922262e-01 0.004395 0.001132 True md_ensemble 4 372 379 - C_GB1_43 O_GB1_44 1 0.000000e+00 7.083521e-07 ; 2.737468e-01 -7.083521e-07 9.974631e-01 8.540545e-01 0.004395 0.001132 True md_ensemble 4 372 381 - C_GB1_43 N_GB1_45 1 0.000000e+00 1.618370e-06 ; 2.932591e-01 -1.618370e-06 8.992902e-01 9.723740e-01 0.004395 0.001132 True md_ensemble 4 372 382 - C_GB1_43 CA_GB1_45 1 0.000000e+00 1.761845e-05 ; 3.578154e-01 -1.761845e-05 5.096581e-01 8.595382e-01 0.004395 0.001132 True md_ensemble 5 372 384 - C_GB1_43 CB_GB1_45 1 0.000000e+00 7.640155e-06 ; 3.337492e-01 -7.640155e-06 1.607315e-02 2.222938e-01 0.004395 0.001132 True md_ensemble 6 372 385 + C_GB1_43 CB_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 372 377 + C_GB1_43 OG1_GB1_44 1 0.000000e+00 1.092098e-06 ; 2.838029e-01 -1.092098e-06 9.205998e-01 8.769513e-01 0.004395 0.001132 True md_ensemble 4 372 378 + C_GB1_43 CG2_GB1_44 1 0.000000e+00 4.692001e-06 ; 3.204607e-01 -4.692001e-06 9.994316e-01 9.922262e-01 0.004395 0.001132 True md_ensemble 4 372 379 + C_GB1_43 O_GB1_44 1 0.000000e+00 7.083489e-07 ; 2.737467e-01 -7.083489e-07 9.974631e-01 8.540545e-01 0.004395 0.001132 True md_ensemble 4 372 381 + C_GB1_43 N_GB1_45 1 0.000000e+00 1.618347e-06 ; 2.932587e-01 -1.618347e-06 8.992902e-01 9.723740e-01 0.004395 0.001132 True md_ensemble 4 372 382 + C_GB1_43 CA_GB1_45 1 0.000000e+00 1.761836e-05 ; 3.578152e-01 -1.761836e-05 5.096581e-01 8.595382e-01 0.004395 0.001132 True md_ensemble 5 372 384 + C_GB1_43 CB_GB1_45 1 0.000000e+00 7.640026e-06 ; 3.337487e-01 -7.640026e-06 1.607315e-02 2.222938e-01 0.004395 0.001132 True md_ensemble 6 372 385 C_GB1_43 C_GB1_45 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 0.000000e+00 1.623559e-01 0.004395 0.001132 True md_ensemble 6 372 393 - C_GB1_43 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 372 398 - C_GB1_43 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 372 407 - C_GB1_43 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 372 416 - C_GB1_43 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 372 422 - C_GB1_43 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 372 424 - C_GB1_43 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 372 430 - C_GB1_43 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 372 431 - C_GB1_43 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 372 432 - C_GB1_43 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 372 433 - C_GB1_43 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 372 440 - C_GB1_43 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 372 442 + C_GB1_43 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 372 398 + C_GB1_43 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 372 407 + C_GB1_43 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 372 416 + C_GB1_43 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 372 422 + C_GB1_43 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 372 424 + C_GB1_43 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 372 430 + C_GB1_43 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 372 431 + C_GB1_43 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 372 432 + C_GB1_43 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 372 433 + C_GB1_43 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 372 440 + C_GB1_43 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 372 442 C_GB1_43 CA_GB1_52 1 3.981432e-03 5.345235e-05 ; 4.875149e-01 7.413987e-02 4.762295e-03 1.454336e-04 0.004395 0.008482 True md_ensemble 7 372 447 - C_GB1_43 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 372 448 + C_GB1_43 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 372 448 C_GB1_43 CA_GB1_53 1 1.583014e-02 2.339656e-04 ; 4.953869e-01 2.677674e-01 2.031273e-01 6.420364e-05 0.004395 0.008482 True md_ensemble 7 372 459 C_GB1_43 CB_GB1_53 1 6.976676e-03 1.033998e-04 ; 4.956159e-01 1.176840e-01 1.107566e-02 7.402637e-04 0.004395 0.001132 True md_ensemble 7 372 460 - C_GB1_43 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 372 462 + C_GB1_43 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 372 462 C_GB1_43 C_GB1_53 1 7.826268e-03 4.612664e-05 ; 4.250104e-01 3.319691e-01 7.050439e-01 0.000000e+00 0.004395 0.011584 True md_ensemble 7 372 463 C_GB1_43 O_GB1_53 1 1.557933e-03 1.734238e-06 ; 3.219289e-01 3.498878e-01 9.978277e-01 8.338069e-05 0.004395 0.011584 True md_ensemble 7 372 464 C_GB1_43 CA_GB1_54 1 1.617255e-02 1.907014e-04 ; 4.770852e-01 3.428806e-01 8.711021e-01 2.770395e-04 0.004395 0.008482 True md_ensemble 7 372 467 C_GB1_43 CB_GB1_54 1 1.125782e-02 1.646182e-04 ; 4.945049e-01 1.924733e-01 4.720025e-02 8.986849e-04 0.004395 0.001132 True md_ensemble 7 372 468 - C_GB1_43 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 372 469 + C_GB1_43 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 372 469 C_GB1_43 CG2_GB1_54 1 6.945559e-03 5.907424e-05 ; 4.518024e-01 2.041532e-01 5.919233e-02 7.924402e-04 0.004395 0.001132 True md_ensemble 7 372 470 - C_GB1_43 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 372 476 - C_GB1_43 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 372 478 - C_GB1_43 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 372 484 - C_GB1_43 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 372 485 + C_GB1_43 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 372 476 + C_GB1_43 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 372 478 + C_GB1_43 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 372 484 + C_GB1_43 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 372 485 O_GB1_43 O_GB1_43 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 373 373 O_GB1_43 H_GB1_44 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 373 375 - O_GB1_43 CB_GB1_44 1 0.000000e+00 4.153489e-06 ; 3.172216e-01 -4.153489e-06 1.000000e+00 9.999986e-01 0.004395 0.001132 True md_ensemble 4 373 377 - O_GB1_43 OG1_GB1_44 1 0.000000e+00 2.485032e-07 ; 2.508646e-01 -2.485032e-07 4.749187e-01 1.587356e-01 0.004395 0.001132 True md_ensemble 5 373 378 + O_GB1_43 CB_GB1_44 1 0.000000e+00 4.153522e-06 ; 3.172218e-01 -4.153522e-06 1.000000e+00 9.999986e-01 0.004395 0.001132 True md_ensemble 4 373 377 + O_GB1_43 OG1_GB1_44 1 0.000000e+00 2.485025e-07 ; 2.508645e-01 -2.485025e-07 4.749187e-01 1.587356e-01 0.004395 0.001132 True md_ensemble 5 373 378 O_GB1_43 CG2_GB1_44 1 0.000000e+00 1.363705e-06 ; 2.891046e-01 -1.363705e-06 5.703190e-01 4.770430e-01 0.004395 0.001132 True md_ensemble 5 373 379 - O_GB1_43 C_GB1_44 1 0.000000e+00 8.224915e-07 ; 2.771762e-01 -8.224915e-07 9.995482e-01 9.941653e-01 0.004395 0.001132 True md_ensemble 4 373 380 + O_GB1_43 C_GB1_44 1 0.000000e+00 8.224877e-07 ; 2.771761e-01 -8.224877e-07 9.995482e-01 9.941653e-01 0.004395 0.001132 True md_ensemble 4 373 380 O_GB1_43 O_GB1_44 1 0.000000e+00 1.813672e-06 ; 2.960567e-01 -1.813672e-06 5.857648e-01 7.948792e-01 0.004395 0.001132 True md_ensemble 5 373 381 O_GB1_43 N_GB1_45 1 0.000000e+00 1.882831e-06 ; 2.969814e-01 -1.882831e-06 6.318750e-01 8.870959e-01 0.004395 0.001132 True md_ensemble 5 373 382 - O_GB1_43 H_GB1_45 1 0.000000e+00 1.761912e-08 ; 2.012150e-01 -1.761912e-08 2.582529e-02 1.613561e-01 0.004395 0.001132 True md_ensemble 6 373 383 - O_GB1_43 CA_GB1_45 1 0.000000e+00 6.075890e-06 ; 3.274381e-01 -6.075890e-06 7.985816e-02 5.426962e-01 0.004395 0.001132 True md_ensemble 6 373 384 - O_GB1_43 CB_GB1_45 1 0.000000e+00 2.222847e-06 ; 3.011185e-01 -2.222847e-06 1.551156e-02 1.183023e-01 0.004395 0.007862 True md_ensemble 7 373 385 + O_GB1_43 H_GB1_45 1 0.000000e+00 1.761940e-08 ; 2.012153e-01 -1.761940e-08 2.582529e-02 1.613561e-01 0.004395 0.001132 True md_ensemble 6 373 383 + O_GB1_43 CA_GB1_45 1 0.000000e+00 6.075938e-06 ; 3.274383e-01 -6.075938e-06 7.985816e-02 5.426962e-01 0.004395 0.001132 True md_ensemble 6 373 384 + O_GB1_43 CB_GB1_45 1 0.000000e+00 2.222839e-06 ; 3.011184e-01 -2.222839e-06 1.551156e-02 1.183023e-01 0.004395 0.007862 True md_ensemble 7 373 385 O_GB1_43 O_GB1_45 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 373 394 O_GB1_43 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 373 396 O_GB1_43 CB_GB1_46 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.176750e-02 0.004395 0.007862 True md_ensemble 7 373 398 @@ -41460,34 +41460,34 @@ CH2_GB1_43 CG2_GB1_54 1 2.480819e-03 4.456054e-06 ; 3.486523e-01 3.452866e- O_GB1_43 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 373 488 O_GB1_43 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 373 490 O_GB1_43 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 373 491 - N_GB1_44 CB_GB1_44 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 374 377 - N_GB1_44 CG2_GB1_44 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 374 379 - N_GB1_44 CA_GB1_45 1 0.000000e+00 7.574341e-06 ; 3.335086e-01 -7.574341e-06 1.000000e+00 9.999137e-01 0.004395 0.001132 True md_ensemble 4 374 384 - N_GB1_44 CB_GB1_45 1 0.000000e+00 4.942438e-06 ; 3.218524e-01 -4.942438e-06 2.430788e-02 3.687933e-01 0.004395 0.001132 True md_ensemble 5 374 385 + N_GB1_44 CB_GB1_44 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 374 377 + N_GB1_44 CG2_GB1_44 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 374 379 + N_GB1_44 CA_GB1_45 1 0.000000e+00 7.574329e-06 ; 3.335086e-01 -7.574329e-06 1.000000e+00 9.999137e-01 0.004395 0.001132 True md_ensemble 4 374 384 + N_GB1_44 CB_GB1_45 1 0.000000e+00 4.942373e-06 ; 3.218521e-01 -4.942373e-06 2.430788e-02 3.687933e-01 0.004395 0.001132 True md_ensemble 5 374 385 N_GB1_44 CG_GB1_45 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 0.000000e+00 5.206670e-02 0.004395 0.001132 True md_ensemble 6 374 386 N_GB1_44 C_GB1_45 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 0.000000e+00 1.041163e-01 0.004395 0.001132 True md_ensemble 5 374 393 N_GB1_44 O_GB1_45 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 0.000000e+00 1.775983e-01 0.004395 0.001132 True md_ensemble 6 374 394 N_GB1_44 N_GB1_46 1 0.000000e+00 8.752940e-07 ; 2.786171e-01 -8.752940e-07 0.000000e+00 5.349355e-02 0.004395 0.001132 True md_ensemble 6 374 395 - N_GB1_44 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 374 398 + N_GB1_44 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 374 398 N_GB1_44 N_GB1_47 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 3.820267e-04 0.004395 0.001132 True md_ensemble 7 374 404 - N_GB1_44 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 374 407 + N_GB1_44 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 374 407 N_GB1_44 N_GB1_48 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 374 413 - N_GB1_44 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 374 416 + N_GB1_44 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 374 416 N_GB1_44 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 374 419 - N_GB1_44 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 374 422 - N_GB1_44 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 374 424 + N_GB1_44 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 374 422 + N_GB1_44 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 374 424 N_GB1_44 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 374 427 - N_GB1_44 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 374 430 - N_GB1_44 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 374 431 - N_GB1_44 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 374 432 - N_GB1_44 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 374 433 + N_GB1_44 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 374 430 + N_GB1_44 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 374 431 + N_GB1_44 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 374 432 + N_GB1_44 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 374 433 N_GB1_44 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 3.727483e-04 0.004395 0.001132 True md_ensemble 7 374 434 N_GB1_44 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 374 437 - N_GB1_44 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 374 440 - N_GB1_44 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 374 442 + N_GB1_44 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 374 440 + N_GB1_44 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 374 442 N_GB1_44 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 374 445 N_GB1_44 CA_GB1_52 1 9.660528e-03 1.057766e-04 ; 4.712284e-01 2.205729e-01 8.137400e-02 5.826547e-07 0.004395 0.008482 True md_ensemble 7 374 447 - N_GB1_44 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 374 448 + N_GB1_44 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 374 448 N_GB1_44 N_GB1_53 1 4.183378e-03 1.390538e-05 ; 3.863160e-01 3.146380e-01 5.038761e-01 0.000000e+00 0.004395 0.001132 True md_ensemble 7 374 457 N_GB1_44 CA_GB1_53 1 7.981162e-03 4.551064e-05 ; 4.226762e-01 3.499124e-01 9.983031e-01 2.413396e-05 0.004395 0.008482 True md_ensemble 7 374 459 N_GB1_44 CB_GB1_53 1 1.024614e-02 7.616826e-05 ; 4.417762e-01 3.445771e-01 9.002237e-01 1.147702e-04 0.004395 0.001132 True md_ensemble 7 374 460 @@ -41497,17 +41497,17 @@ CH2_GB1_43 CG2_GB1_54 1 2.480819e-03 4.456054e-06 ; 3.486523e-01 3.452866e- N_GB1_44 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.012030e-03 0.000000e+00 0.004395 0.001132 True md_ensemble 7 374 465 N_GB1_44 CA_GB1_54 1 1.196817e-02 1.049154e-04 ; 4.540831e-01 3.413154e-01 8.450708e-01 0.000000e+00 0.004395 0.008482 True md_ensemble 7 374 467 N_GB1_44 CB_GB1_54 1 4.546521e-03 5.189782e-05 ; 4.745096e-01 9.957475e-02 7.796982e-03 2.691253e-04 0.004395 0.001132 True md_ensemble 7 374 468 - N_GB1_44 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 374 469 + N_GB1_44 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 374 469 N_GB1_44 CG2_GB1_54 1 4.033964e-03 2.603391e-05 ; 4.314872e-01 1.562660e-01 2.339657e-02 4.751712e-04 0.004395 0.001132 True md_ensemble 7 374 470 N_GB1_44 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 374 473 - N_GB1_44 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 374 476 - N_GB1_44 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 374 478 + N_GB1_44 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 374 476 + N_GB1_44 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 374 478 N_GB1_44 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 374 481 - N_GB1_44 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 374 484 - N_GB1_44 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 374 485 + N_GB1_44 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 374 484 + N_GB1_44 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 374 485 H_GB1_44 H_GB1_44 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 375 375 - H_GB1_44 OG1_GB1_44 1 0.000000e+00 2.738447e-08 ; 2.087471e-01 -2.738447e-08 4.974546e-01 7.754912e-01 0.004395 0.001132 True md_ensemble 4 375 378 - H_GB1_44 O_GB1_44 1 0.000000e+00 5.667166e-09 ; 1.830665e-01 -5.667166e-09 9.846505e-01 3.498924e-01 0.004395 0.001132 True md_ensemble 4 375 381 + H_GB1_44 OG1_GB1_44 1 0.000000e+00 2.738459e-08 ; 2.087471e-01 -2.738459e-08 4.974546e-01 7.754912e-01 0.004395 0.001132 True md_ensemble 4 375 378 + H_GB1_44 O_GB1_44 1 0.000000e+00 5.667256e-09 ; 1.830667e-01 -5.667256e-09 9.846505e-01 3.498924e-01 0.004395 0.001132 True md_ensemble 4 375 381 H_GB1_44 H_GB1_45 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 375 383 H_GB1_44 OH_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 375 392 H_GB1_44 O_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 375 394 @@ -41544,14 +41544,14 @@ CH2_GB1_43 CG2_GB1_54 1 2.480819e-03 4.456054e-06 ; 3.486523e-01 3.452866e- H_GB1_44 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 375 488 H_GB1_44 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 375 490 H_GB1_44 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 375 491 - CA_GB1_44 CB_GB1_45 1 0.000000e+00 3.181340e-05 ; 3.758771e-01 -3.181340e-05 9.999999e-01 9.999919e-01 0.004395 0.001132 True md_ensemble 4 376 385 + CA_GB1_44 CB_GB1_45 1 0.000000e+00 3.181326e-05 ; 3.758769e-01 -3.181326e-05 9.999999e-01 9.999919e-01 0.004395 0.001132 True md_ensemble 4 376 385 CA_GB1_44 CG_GB1_45 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 3.478802e-03 7.172813e-01 0.004395 0.001132 True md_ensemble 5 376 386 CA_GB1_44 CD1_GB1_45 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 4.375000e-07 4.607957e-01 0.004395 0.001132 True md_ensemble 6 376 387 CA_GB1_44 CD2_GB1_45 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 0.000000e+00 4.655944e-01 0.004395 0.001132 True md_ensemble 6 376 388 - CA_GB1_44 C_GB1_45 1 0.000000e+00 1.305188e-05 ; 3.489804e-01 -1.305188e-05 9.999991e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 376 393 - CA_GB1_44 O_GB1_45 1 0.000000e+00 2.830828e-06 ; 3.072471e-01 -2.830828e-06 8.647985e-01 5.463518e-01 0.004395 0.001132 True md_ensemble 5 376 394 - CA_GB1_44 N_GB1_46 1 0.000000e+00 9.936736e-06 ; 3.411395e-01 -9.936736e-06 2.020455e-01 5.138267e-01 0.004395 0.001132 True md_ensemble 5 376 395 - CA_GB1_44 CA_GB1_46 1 0.000000e+00 9.099908e-05 ; 4.102810e-01 -9.099908e-05 1.099583e-01 4.980760e-01 0.004395 0.001132 True md_ensemble 6 376 397 + CA_GB1_44 C_GB1_45 1 0.000000e+00 1.305181e-05 ; 3.489803e-01 -1.305181e-05 9.999991e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 376 393 + CA_GB1_44 O_GB1_45 1 0.000000e+00 2.830850e-06 ; 3.072473e-01 -2.830850e-06 8.647985e-01 5.463518e-01 0.004395 0.001132 True md_ensemble 5 376 394 + CA_GB1_44 N_GB1_46 1 0.000000e+00 9.936720e-06 ; 3.411394e-01 -9.936720e-06 2.020455e-01 5.138267e-01 0.004395 0.001132 True md_ensemble 5 376 395 + CA_GB1_44 CA_GB1_46 1 0.000000e+00 9.099975e-05 ; 4.102813e-01 -9.099975e-05 1.099583e-01 4.980760e-01 0.004395 0.001132 True md_ensemble 6 376 397 CA_GB1_44 CA_GB1_52 1 2.615543e-02 4.886984e-04 ; 5.151257e-01 3.499635e-01 9.992931e-01 1.764916e-03 0.004395 0.006476 True md_ensemble 7 376 447 CA_GB1_44 CB_GB1_52 1 2.084686e-02 4.841990e-04 ; 5.341508e-01 2.243868e-01 8.761761e-02 2.638972e-03 0.004395 0.007117 True md_ensemble 7 376 448 CA_GB1_44 CD1_GB1_52 1 1.016989e-02 1.355797e-04 ; 4.869447e-01 1.907121e-01 4.561616e-02 3.450287e-03 0.004395 0.010759 True md_ensemble 7 376 450 @@ -41565,46 +41565,46 @@ CH2_GB1_43 CG2_GB1_54 1 2.480819e-03 4.456054e-06 ; 3.486523e-01 3.452866e- CA_GB1_44 C_GB1_53 1 8.803666e-03 5.536215e-05 ; 4.296270e-01 3.499888e-01 9.997836e-01 1.923676e-04 0.004395 0.008482 True md_ensemble 7 376 463 CA_GB1_44 O_GB1_53 1 1.875487e-03 2.512469e-06 ; 3.320201e-01 3.499996e-01 9.999929e-01 3.674147e-04 0.004395 0.008483 True md_ensemble 7 376 464 CA_GB1_44 CA_GB1_54 1 3.933561e-02 1.178620e-03 ; 5.573115e-01 3.281995e-01 6.553657e-01 1.068854e-03 0.004395 0.006476 True md_ensemble 7 376 467 - CB_GB1_44 OG1_GB1_44 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 378 - CB_GB1_44 C_GB1_44 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 380 + CB_GB1_44 OG1_GB1_44 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 378 + CB_GB1_44 C_GB1_44 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 380 CB_GB1_44 O_GB1_44 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 381 - CB_GB1_44 N_GB1_45 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 382 - CB_GB1_44 CA_GB1_45 1 0.000000e+00 6.555590e-05 ; 3.992203e-01 -6.555590e-05 9.999976e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 377 384 - CB_GB1_44 CB_GB1_45 1 0.000000e+00 3.036769e-05 ; 3.744231e-01 -3.036769e-05 9.770411e-01 9.315900e-01 0.004395 0.001132 True md_ensemble 5 377 385 + CB_GB1_44 N_GB1_45 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 382 + CB_GB1_44 CA_GB1_45 1 0.000000e+00 6.555638e-05 ; 3.992206e-01 -6.555638e-05 9.999976e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 377 384 + CB_GB1_44 CB_GB1_45 1 0.000000e+00 3.036756e-05 ; 3.744230e-01 -3.036756e-05 9.770411e-01 9.315900e-01 0.004395 0.001132 True md_ensemble 5 377 385 CB_GB1_44 CG_GB1_45 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 0.000000e+00 2.724139e-01 0.004395 0.001132 True md_ensemble 6 377 386 - CB_GB1_44 OH_GB1_45 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 392 - CB_GB1_44 C_GB1_45 1 0.000000e+00 7.924403e-06 ; 3.347667e-01 -7.924403e-06 9.996329e-01 6.067801e-01 0.004395 0.001132 True md_ensemble 5 377 393 - CB_GB1_44 O_GB1_45 1 0.000000e+00 2.807612e-06 ; 3.070363e-01 -2.807612e-06 5.208571e-01 1.968210e-01 0.004395 0.001132 True md_ensemble 6 377 394 - CB_GB1_44 N_GB1_46 1 0.000000e+00 8.659210e-06 ; 3.372497e-01 -8.659210e-06 6.349703e-02 2.066278e-01 0.004395 0.001132 True md_ensemble 6 377 395 - CB_GB1_44 CA_GB1_46 1 0.000000e+00 7.278944e-05 ; 4.027177e-01 -7.278944e-05 1.257553e-01 2.360996e-01 0.004395 0.006476 True md_ensemble 7 377 397 - CB_GB1_44 CB_GB1_46 1 0.000000e+00 3.567364e-05 ; 3.794815e-01 -3.567364e-05 1.055977e-02 1.318909e-01 0.004395 0.007117 True md_ensemble 7 377 398 - CB_GB1_44 CG_GB1_46 1 0.000000e+00 1.332241e-05 ; 3.495776e-01 -1.332241e-05 4.163655e-02 6.236539e-02 0.004395 0.001132 True md_ensemble 7 377 399 - CB_GB1_44 OD1_GB1_46 1 0.000000e+00 3.400959e-06 ; 3.119812e-01 -3.400959e-06 2.354000e-02 3.506501e-02 0.004395 0.001132 True md_ensemble 7 377 400 - CB_GB1_44 OD2_GB1_46 1 0.000000e+00 3.400959e-06 ; 3.119812e-01 -3.400959e-06 2.354000e-02 3.506501e-02 0.004395 0.001132 True md_ensemble 7 377 401 - CB_GB1_44 C_GB1_46 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 402 + CB_GB1_44 OH_GB1_45 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 392 + CB_GB1_44 C_GB1_45 1 0.000000e+00 7.924362e-06 ; 3.347665e-01 -7.924362e-06 9.996329e-01 6.067801e-01 0.004395 0.001132 True md_ensemble 5 377 393 + CB_GB1_44 O_GB1_45 1 0.000000e+00 2.807635e-06 ; 3.070365e-01 -2.807635e-06 5.208571e-01 1.968210e-01 0.004395 0.001132 True md_ensemble 6 377 394 + CB_GB1_44 N_GB1_46 1 0.000000e+00 8.659196e-06 ; 3.372496e-01 -8.659196e-06 6.349703e-02 2.066278e-01 0.004395 0.001132 True md_ensemble 6 377 395 + CB_GB1_44 CA_GB1_46 1 0.000000e+00 7.278998e-05 ; 4.027179e-01 -7.278998e-05 1.257553e-01 2.360996e-01 0.004395 0.006476 True md_ensemble 7 377 397 + CB_GB1_44 CB_GB1_46 1 0.000000e+00 3.567349e-05 ; 3.794814e-01 -3.567349e-05 1.055977e-02 1.318909e-01 0.004395 0.007117 True md_ensemble 7 377 398 + CB_GB1_44 CG_GB1_46 1 0.000000e+00 1.332235e-05 ; 3.495774e-01 -1.332235e-05 4.163655e-02 6.236539e-02 0.004395 0.001132 True md_ensemble 7 377 399 + CB_GB1_44 OD1_GB1_46 1 0.000000e+00 3.400987e-06 ; 3.119814e-01 -3.400987e-06 2.354000e-02 3.506501e-02 0.004395 0.001132 True md_ensemble 7 377 400 + CB_GB1_44 OD2_GB1_46 1 0.000000e+00 3.400987e-06 ; 3.119814e-01 -3.400987e-06 2.354000e-02 3.506501e-02 0.004395 0.001132 True md_ensemble 7 377 401 + CB_GB1_44 C_GB1_46 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 402 CB_GB1_44 O_GB1_46 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 7.358529e-02 0.004395 0.007862 True md_ensemble 7 377 403 - CB_GB1_44 N_GB1_47 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 404 - CB_GB1_44 CG_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 408 - CB_GB1_44 OD1_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 409 - CB_GB1_44 OD2_GB1_47 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 410 - CB_GB1_44 C_GB1_47 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 411 + CB_GB1_44 N_GB1_47 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 404 + CB_GB1_44 CG_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 408 + CB_GB1_44 OD1_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 409 + CB_GB1_44 OD2_GB1_47 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 410 + CB_GB1_44 C_GB1_47 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 411 CB_GB1_44 O_GB1_47 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.259521e-02 0.004395 0.007862 True md_ensemble 7 377 412 - CB_GB1_44 N_GB1_48 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 413 - CB_GB1_44 C_GB1_48 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 417 + CB_GB1_44 N_GB1_48 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 413 + CB_GB1_44 C_GB1_48 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 417 CB_GB1_44 O_GB1_48 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.863557e-03 0.004395 0.007862 True md_ensemble 7 377 418 - CB_GB1_44 N_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 419 - CB_GB1_44 OG1_GB1_49 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 423 - CB_GB1_44 C_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 425 + CB_GB1_44 N_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 419 + CB_GB1_44 OG1_GB1_49 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 423 + CB_GB1_44 C_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 425 CB_GB1_44 O_GB1_49 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.760480e-03 0.004395 0.007862 True md_ensemble 7 377 426 - CB_GB1_44 N_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 427 - CB_GB1_44 NZ_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 434 - CB_GB1_44 C_GB1_50 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 435 + CB_GB1_44 N_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 427 + CB_GB1_44 NZ_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 434 + CB_GB1_44 C_GB1_50 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 435 CB_GB1_44 O_GB1_50 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.679022e-03 0.004395 0.007862 True md_ensemble 7 377 436 - CB_GB1_44 N_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 437 - CB_GB1_44 OG1_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 441 - CB_GB1_44 C_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 443 + CB_GB1_44 N_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 437 + CB_GB1_44 OG1_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 441 + CB_GB1_44 C_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 443 CB_GB1_44 O_GB1_51 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 5.737500e-06 1.574532e-03 0.004395 0.007862 True md_ensemble 7 377 444 - CB_GB1_44 N_GB1_52 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 445 + CB_GB1_44 N_GB1_52 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 445 CB_GB1_44 CA_GB1_52 1 3.602611e-02 1.090301e-03 ; 5.582407e-01 2.975969e-01 3.621363e-01 4.582122e-03 0.004395 0.006476 True md_ensemble 7 377 447 CB_GB1_44 C_GB1_52 1 7.582044e-03 1.111509e-04 ; 4.947143e-01 1.293003e-01 1.780111e-02 1.452112e-03 0.004395 0.001132 True md_ensemble 7 377 455 CB_GB1_44 O_GB1_52 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.019710e-03 0.004395 0.007862 True md_ensemble 7 377 456 @@ -41615,50 +41615,50 @@ CH2_GB1_43 CG2_GB1_54 1 2.480819e-03 4.456054e-06 ; 3.486523e-01 3.452866e- CB_GB1_44 CG2_GB1_53 1 6.699102e-03 3.409578e-05 ; 4.147445e-01 3.290581e-01 6.663642e-01 4.907787e-03 0.004395 0.010759 True md_ensemble 7 377 462 CB_GB1_44 C_GB1_53 1 9.524676e-03 6.512823e-05 ; 4.356655e-01 3.482340e-01 9.663482e-01 6.246434e-04 0.004395 0.001132 True md_ensemble 7 377 463 CB_GB1_44 O_GB1_53 1 1.979962e-03 2.800478e-06 ; 3.350394e-01 3.499627e-01 9.992769e-01 9.934042e-04 0.004395 0.007862 True md_ensemble 7 377 464 - CB_GB1_44 N_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 465 + CB_GB1_44 N_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 465 CB_GB1_44 CA_GB1_54 1 3.338798e-02 1.008468e-03 ; 5.580572e-01 2.763490e-01 2.398877e-01 2.278403e-03 0.004395 0.006476 True md_ensemble 7 377 467 - CB_GB1_44 C_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 471 + CB_GB1_44 C_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 471 CB_GB1_44 O_GB1_54 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.998451e-04 0.004395 0.007862 True md_ensemble 7 377 472 - CB_GB1_44 N_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 473 + CB_GB1_44 N_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 473 CB_GB1_44 CB_GB1_55 1 1.228045e-02 2.908142e-04 ; 5.358791e-01 1.296443e-01 1.396532e-02 4.088413e-03 0.004395 0.006476 True md_ensemble 7 377 476 - CB_GB1_44 OG1_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 477 + CB_GB1_44 OG1_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 477 CB_GB1_44 CG2_GB1_55 1 3.704090e-03 3.683291e-05 ; 4.637235e-01 9.312516e-02 6.880722e-03 2.988699e-03 0.004395 0.010759 True md_ensemble 7 377 478 - CB_GB1_44 C_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 479 + CB_GB1_44 C_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 479 CB_GB1_44 O_GB1_55 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 9.908177e-04 0.004395 0.007862 True md_ensemble 7 377 480 - CB_GB1_44 N_GB1_56 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 481 - CB_GB1_44 CD_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 486 - CB_GB1_44 OE1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 487 - CB_GB1_44 OE2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 488 - CB_GB1_44 C_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 489 - CB_GB1_44 O1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 490 - CB_GB1_44 O2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 491 -OG1_GB1_44 CG2_GB1_44 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 378 379 -OG1_GB1_44 O_GB1_44 1 0.000000e+00 3.880111e-07 ; 2.603547e-01 -3.880111e-07 6.287920e-01 6.964985e-01 0.004395 0.001132 True md_ensemble 4 378 381 -OG1_GB1_44 N_GB1_45 1 0.000000e+00 7.703251e-07 ; 2.756668e-01 -7.703251e-07 5.430678e-01 7.053542e-01 0.004395 0.001132 True md_ensemble 4 378 382 -OG1_GB1_44 H_GB1_45 1 0.000000e+00 1.903964e-08 ; 2.025194e-01 -1.903964e-08 2.701214e-01 1.587038e-01 0.004395 0.001132 True md_ensemble 5 378 383 -OG1_GB1_44 CA_GB1_45 1 0.000000e+00 6.272832e-06 ; 3.283096e-01 -6.272832e-06 4.620437e-01 5.556836e-01 0.004395 0.001132 True md_ensemble 5 378 384 -OG1_GB1_44 CB_GB1_45 1 0.000000e+00 3.111472e-06 ; 3.096769e-01 -3.111472e-06 1.191827e-02 1.297433e-01 0.004395 0.001132 True md_ensemble 6 378 385 -OG1_GB1_44 C_GB1_45 1 0.000000e+00 9.865758e-07 ; 2.814098e-01 -9.865758e-07 1.943190e-01 5.825053e-02 0.004395 0.001132 True md_ensemble 6 378 393 + CB_GB1_44 N_GB1_56 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 481 + CB_GB1_44 CD_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 486 + CB_GB1_44 OE1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 487 + CB_GB1_44 OE2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 488 + CB_GB1_44 C_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 489 + CB_GB1_44 O1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 490 + CB_GB1_44 O2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 377 491 +OG1_GB1_44 CG2_GB1_44 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 378 379 +OG1_GB1_44 O_GB1_44 1 0.000000e+00 3.880100e-07 ; 2.603546e-01 -3.880100e-07 6.287920e-01 6.964985e-01 0.004395 0.001132 True md_ensemble 4 378 381 +OG1_GB1_44 N_GB1_45 1 0.000000e+00 7.703157e-07 ; 2.756665e-01 -7.703157e-07 5.430678e-01 7.053542e-01 0.004395 0.001132 True md_ensemble 4 378 382 +OG1_GB1_44 H_GB1_45 1 0.000000e+00 1.903973e-08 ; 2.025194e-01 -1.903973e-08 2.701214e-01 1.587038e-01 0.004395 0.001132 True md_ensemble 5 378 383 +OG1_GB1_44 CA_GB1_45 1 0.000000e+00 6.272811e-06 ; 3.283096e-01 -6.272811e-06 4.620437e-01 5.556836e-01 0.004395 0.001132 True md_ensemble 5 378 384 +OG1_GB1_44 CB_GB1_45 1 0.000000e+00 3.111426e-06 ; 3.096765e-01 -3.111426e-06 1.191827e-02 1.297433e-01 0.004395 0.001132 True md_ensemble 6 378 385 +OG1_GB1_44 C_GB1_45 1 0.000000e+00 9.865602e-07 ; 2.814094e-01 -9.865602e-07 1.943190e-01 5.825053e-02 0.004395 0.001132 True md_ensemble 6 378 393 OG1_GB1_44 O_GB1_45 1 1.032406e-03 1.424983e-06 ; 3.336772e-01 1.869955e-01 1.372150e-01 3.744840e-02 0.004395 0.011584 True md_ensemble 7 378 394 OG1_GB1_44 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 378 396 -OG1_GB1_44 CB_GB1_46 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 378 398 +OG1_GB1_44 CB_GB1_46 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 378 398 OG1_GB1_44 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 378 405 -OG1_GB1_44 CB_GB1_47 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 378 407 +OG1_GB1_44 CB_GB1_47 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 378 407 OG1_GB1_44 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 378 414 -OG1_GB1_44 CB_GB1_48 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 378 416 +OG1_GB1_44 CB_GB1_48 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 378 416 OG1_GB1_44 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 378 420 -OG1_GB1_44 CB_GB1_49 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 378 422 -OG1_GB1_44 CG2_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 378 424 +OG1_GB1_44 CB_GB1_49 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 378 422 +OG1_GB1_44 CG2_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 378 424 OG1_GB1_44 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 378 428 -OG1_GB1_44 CB_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 378 430 -OG1_GB1_44 CG_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 378 431 -OG1_GB1_44 CD_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 378 432 -OG1_GB1_44 CE_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 378 433 +OG1_GB1_44 CB_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 378 430 +OG1_GB1_44 CG_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 378 431 +OG1_GB1_44 CD_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 378 432 +OG1_GB1_44 CE_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 378 433 OG1_GB1_44 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 378 438 -OG1_GB1_44 CB_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 378 440 -OG1_GB1_44 CG2_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 378 442 +OG1_GB1_44 CB_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 378 440 +OG1_GB1_44 CG2_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 378 442 OG1_GB1_44 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 378 446 -OG1_GB1_44 CB_GB1_52 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 378 448 +OG1_GB1_44 CB_GB1_52 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 378 448 OG1_GB1_44 N_GB1_53 1 2.032813e-03 4.620118e-06 ; 3.625985e-01 2.236051e-01 8.630009e-02 3.992800e-04 0.004395 0.011584 True md_ensemble 7 378 457 OG1_GB1_44 H_GB1_53 1 8.413104e-05 1.885700e-08 ; 2.464636e-01 9.383825e-02 6.976487e-03 8.671657e-06 0.004395 0.020721 True md_ensemble 7 378 458 OG1_GB1_44 CA_GB1_53 1 3.339133e-03 9.981502e-06 ; 3.795425e-01 2.792618e-01 2.538212e-01 9.648818e-04 0.004395 0.008483 True md_ensemble 7 378 459 @@ -41668,55 +41668,55 @@ OG1_GB1_44 CG2_GB1_53 1 1.543589e-03 2.331872e-06 ; 3.387366e-01 2.554458e- OG1_GB1_44 C_GB1_53 1 2.422548e-03 5.419136e-06 ; 3.616398e-01 2.707415e-01 2.151809e-01 2.700825e-04 0.004395 0.011584 True md_ensemble 7 378 463 OG1_GB1_44 O_GB1_53 1 5.638484e-04 2.628145e-07 ; 2.784504e-01 3.024234e-01 3.976502e-01 3.151394e-04 0.004395 0.011584 True md_ensemble 7 378 464 OG1_GB1_44 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 378 466 -OG1_GB1_44 CB_GB1_54 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 378 468 -OG1_GB1_44 CG1_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 378 469 -OG1_GB1_44 CG2_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 378 470 +OG1_GB1_44 CB_GB1_54 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 378 468 +OG1_GB1_44 CG1_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 378 469 +OG1_GB1_44 CG2_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 378 470 OG1_GB1_44 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 378 474 -OG1_GB1_44 CB_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 378 476 -OG1_GB1_44 CG2_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 378 478 +OG1_GB1_44 CB_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 378 476 +OG1_GB1_44 CG2_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 378 478 OG1_GB1_44 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 378 482 -OG1_GB1_44 CB_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 378 484 -OG1_GB1_44 CG_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 378 485 -CG2_GB1_44 C_GB1_44 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 380 +OG1_GB1_44 CB_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 378 484 +OG1_GB1_44 CG_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 378 485 +CG2_GB1_44 C_GB1_44 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 380 CG2_GB1_44 O_GB1_44 1 0.000000e+00 1.436717e-06 ; 2.903639e-01 -1.436717e-06 9.503198e-01 9.055891e-01 0.004395 0.001132 True md_ensemble 4 379 381 -CG2_GB1_44 N_GB1_45 1 0.000000e+00 2.608143e-06 ; 3.051565e-01 -2.608143e-06 9.998884e-01 9.507501e-01 0.004395 0.001132 True md_ensemble 4 379 382 -CG2_GB1_44 CA_GB1_45 1 0.000000e+00 1.623667e-05 ; 3.553883e-01 -1.623667e-05 9.370838e-01 6.210811e-01 0.004395 0.001132 True md_ensemble 5 379 384 -CG2_GB1_44 CB_GB1_45 1 0.000000e+00 1.193192e-05 ; 3.463811e-01 -1.193192e-05 1.231576e-01 1.589318e-01 0.004395 0.001132 True md_ensemble 6 379 385 -CG2_GB1_44 OH_GB1_45 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 392 -CG2_GB1_44 C_GB1_45 1 0.000000e+00 2.700401e-06 ; 3.060418e-01 -2.700401e-06 5.810494e-01 1.524279e-01 0.004395 0.001132 True md_ensemble 6 379 393 +CG2_GB1_44 N_GB1_45 1 0.000000e+00 2.608119e-06 ; 3.051563e-01 -2.608119e-06 9.998884e-01 9.507501e-01 0.004395 0.001132 True md_ensemble 4 379 382 +CG2_GB1_44 CA_GB1_45 1 0.000000e+00 1.623666e-05 ; 3.553882e-01 -1.623666e-05 9.370838e-01 6.210811e-01 0.004395 0.001132 True md_ensemble 5 379 384 +CG2_GB1_44 CB_GB1_45 1 0.000000e+00 1.193178e-05 ; 3.463808e-01 -1.193178e-05 1.231576e-01 1.589318e-01 0.004395 0.001132 True md_ensemble 6 379 385 +CG2_GB1_44 OH_GB1_45 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 392 +CG2_GB1_44 C_GB1_45 1 0.000000e+00 2.700366e-06 ; 3.060414e-01 -2.700366e-06 5.810494e-01 1.524279e-01 0.004395 0.001132 True md_ensemble 6 379 393 CG2_GB1_44 O_GB1_45 1 1.242952e-03 2.091175e-06 ; 3.448705e-01 1.846964e-01 4.299749e-01 8.326656e-02 0.004395 0.007862 True md_ensemble 7 379 394 -CG2_GB1_44 N_GB1_46 1 0.000000e+00 2.476772e-06 ; 3.038451e-01 -2.476772e-06 1.701092e-01 7.307637e-02 0.004395 0.001132 True md_ensemble 7 379 395 +CG2_GB1_44 N_GB1_46 1 0.000000e+00 2.476749e-06 ; 3.038448e-01 -2.476749e-06 1.701092e-01 7.307637e-02 0.004395 0.001132 True md_ensemble 7 379 395 CG2_GB1_44 CA_GB1_46 1 9.622745e-03 1.357226e-04 ; 4.915400e-01 1.705634e-01 2.900934e-01 1.011087e-01 0.004395 0.010759 True md_ensemble 7 379 397 CG2_GB1_44 CB_GB1_46 1 6.198422e-03 6.752611e-05 ; 4.708311e-01 1.422429e-01 9.259423e-02 6.310991e-02 0.004395 0.012151 True md_ensemble 7 379 398 -CG2_GB1_44 CG_GB1_46 1 0.000000e+00 4.368799e-06 ; 3.185604e-01 -4.368799e-06 1.144230e-01 3.881832e-02 0.004395 0.001132 True md_ensemble 7 379 399 +CG2_GB1_44 CG_GB1_46 1 0.000000e+00 4.368742e-06 ; 3.185601e-01 -4.368742e-06 1.144230e-01 3.881832e-02 0.004395 0.001132 True md_ensemble 7 379 399 CG2_GB1_44 OD1_GB1_46 1 0.000000e+00 1.151289e-06 ; 2.850539e-01 -1.151289e-06 7.582615e-02 2.147063e-02 0.004395 0.001132 True md_ensemble 7 379 400 CG2_GB1_44 OD2_GB1_46 1 0.000000e+00 1.151289e-06 ; 2.850539e-01 -1.151289e-06 7.582615e-02 2.147063e-02 0.004395 0.001132 True md_ensemble 7 379 401 -CG2_GB1_44 C_GB1_46 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 402 +CG2_GB1_44 C_GB1_46 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 402 CG2_GB1_44 O_GB1_46 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 403 -CG2_GB1_44 N_GB1_47 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 404 -CG2_GB1_44 CG_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 408 +CG2_GB1_44 N_GB1_47 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 404 +CG2_GB1_44 CG_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 408 CG2_GB1_44 OD1_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 409 CG2_GB1_44 OD2_GB1_47 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 410 -CG2_GB1_44 C_GB1_47 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 411 +CG2_GB1_44 C_GB1_47 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 411 CG2_GB1_44 O_GB1_47 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 412 -CG2_GB1_44 N_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 413 -CG2_GB1_44 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 417 +CG2_GB1_44 N_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 413 +CG2_GB1_44 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 417 CG2_GB1_44 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 418 -CG2_GB1_44 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 419 -CG2_GB1_44 OG1_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 423 -CG2_GB1_44 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 425 +CG2_GB1_44 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 419 +CG2_GB1_44 OG1_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 423 +CG2_GB1_44 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 425 CG2_GB1_44 O_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 426 -CG2_GB1_44 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 427 -CG2_GB1_44 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 434 -CG2_GB1_44 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 435 +CG2_GB1_44 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 427 +CG2_GB1_44 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 434 +CG2_GB1_44 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 435 CG2_GB1_44 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 436 -CG2_GB1_44 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 437 -CG2_GB1_44 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 441 -CG2_GB1_44 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 443 +CG2_GB1_44 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 437 +CG2_GB1_44 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 441 +CG2_GB1_44 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 443 CG2_GB1_44 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 444 -CG2_GB1_44 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 445 +CG2_GB1_44 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 445 CG2_GB1_44 CA_GB1_52 1 1.257852e-02 2.381142e-04 ; 5.162491e-01 1.661169e-01 2.831890e-02 3.796299e-03 0.004395 0.010759 True md_ensemble 7 379 447 -CG2_GB1_44 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 455 +CG2_GB1_44 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 455 CG2_GB1_44 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 456 CG2_GB1_44 N_GB1_53 1 4.356196e-03 1.699454e-05 ; 3.967653e-01 2.791549e-01 2.532956e-01 6.092738e-04 0.004395 0.001132 True md_ensemble 7 379 457 CG2_GB1_44 CA_GB1_53 1 6.355856e-03 3.255739e-05 ; 4.151891e-01 3.101976e-01 4.623217e-01 2.343780e-03 0.004395 0.010759 True md_ensemble 7 379 459 @@ -41725,43 +41725,43 @@ CG2_GB1_44 OG1_GB1_53 1 1.826541e-03 3.415111e-06 ; 3.509909e-01 2.442272e- CG2_GB1_44 CG2_GB1_53 1 3.796465e-03 1.248631e-05 ; 3.856344e-01 2.885790e-01 3.040601e-01 4.434144e-03 0.004395 0.020717 True md_ensemble 7 379 462 CG2_GB1_44 C_GB1_53 1 4.233862e-03 1.578913e-05 ; 3.937951e-01 2.838280e-01 2.773099e-01 8.852250e-04 0.004395 0.001132 True md_ensemble 7 379 463 CG2_GB1_44 O_GB1_53 1 1.129739e-03 1.081344e-06 ; 3.139287e-01 2.950749e-01 3.448590e-01 1.218707e-03 0.004395 0.007862 True md_ensemble 7 379 464 -CG2_GB1_44 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 465 +CG2_GB1_44 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 465 CG2_GB1_44 CA_GB1_54 1 1.272396e-02 2.418592e-04 ; 5.166028e-01 1.673485e-01 2.900309e-02 2.418914e-03 0.004395 0.010759 True md_ensemble 7 379 467 -CG2_GB1_44 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 471 +CG2_GB1_44 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 471 CG2_GB1_44 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 472 -CG2_GB1_44 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 473 +CG2_GB1_44 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 473 CG2_GB1_44 CB_GB1_55 1 4.182675e-03 6.092778e-05 ; 4.941895e-01 7.178485e-02 4.549795e-03 3.469766e-03 0.004395 0.010759 True md_ensemble 7 379 476 -CG2_GB1_44 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 477 -CG2_GB1_44 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 479 +CG2_GB1_44 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 477 +CG2_GB1_44 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 479 CG2_GB1_44 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 480 -CG2_GB1_44 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 481 -CG2_GB1_44 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 486 +CG2_GB1_44 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 481 +CG2_GB1_44 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 486 CG2_GB1_44 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 487 CG2_GB1_44 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 488 -CG2_GB1_44 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 489 +CG2_GB1_44 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 489 CG2_GB1_44 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 490 CG2_GB1_44 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 379 491 - C_GB1_44 CB_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 380 385 - C_GB1_44 CG_GB1_45 1 0.000000e+00 2.930681e-06 ; 3.081360e-01 -2.930681e-06 8.182954e-01 9.461007e-01 0.004395 0.001132 True md_ensemble 4 380 386 - C_GB1_44 CD1_GB1_45 1 0.000000e+00 4.022089e-06 ; 3.163729e-01 -4.022089e-06 3.700016e-02 5.848087e-01 0.004395 0.001132 True md_ensemble 5 380 387 - C_GB1_44 CD2_GB1_45 1 0.000000e+00 4.022089e-06 ; 3.163729e-01 -4.022089e-06 3.700016e-02 5.848087e-01 0.004395 0.001132 True md_ensemble 5 380 388 + C_GB1_44 CB_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 380 385 + C_GB1_44 CG_GB1_45 1 0.000000e+00 2.930629e-06 ; 3.081355e-01 -2.930629e-06 8.182954e-01 9.461007e-01 0.004395 0.001132 True md_ensemble 4 380 386 + C_GB1_44 CD1_GB1_45 1 0.000000e+00 4.022018e-06 ; 3.163725e-01 -4.022018e-06 3.700016e-02 5.848087e-01 0.004395 0.001132 True md_ensemble 5 380 387 + C_GB1_44 CD2_GB1_45 1 0.000000e+00 4.022018e-06 ; 3.163725e-01 -4.022018e-06 3.700016e-02 5.848087e-01 0.004395 0.001132 True md_ensemble 5 380 388 C_GB1_44 CE1_GB1_45 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 0.000000e+00 1.539963e-01 0.004395 0.001132 True md_ensemble 6 380 389 C_GB1_44 CE2_GB1_45 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 0.000000e+00 1.566873e-01 0.004395 0.001132 True md_ensemble 6 380 390 - C_GB1_44 O_GB1_45 1 0.000000e+00 7.317087e-07 ; 2.744879e-01 -7.317087e-07 9.983818e-01 8.832177e-01 0.004395 0.001132 True md_ensemble 4 380 394 - C_GB1_44 N_GB1_46 1 0.000000e+00 1.450209e-06 ; 2.905902e-01 -1.450209e-06 9.850632e-01 9.466456e-01 0.004395 0.001132 True md_ensemble 4 380 395 - C_GB1_44 CA_GB1_46 1 0.000000e+00 1.548953e-05 ; 3.539959e-01 -1.548953e-05 5.824544e-01 7.692220e-01 0.004395 0.001132 True md_ensemble 5 380 397 - C_GB1_44 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 380 398 + C_GB1_44 O_GB1_45 1 0.000000e+00 7.317053e-07 ; 2.744878e-01 -7.317053e-07 9.983818e-01 8.832177e-01 0.004395 0.001132 True md_ensemble 4 380 394 + C_GB1_44 N_GB1_46 1 0.000000e+00 1.450189e-06 ; 2.905898e-01 -1.450189e-06 9.850632e-01 9.466456e-01 0.004395 0.001132 True md_ensemble 4 380 395 + C_GB1_44 CA_GB1_46 1 0.000000e+00 1.548945e-05 ; 3.539957e-01 -1.548945e-05 5.824544e-01 7.692220e-01 0.004395 0.001132 True md_ensemble 5 380 397 + C_GB1_44 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 380 398 C_GB1_44 C_GB1_46 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 0.000000e+00 1.015654e-01 0.004395 0.001132 True md_ensemble 6 380 402 - C_GB1_44 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 380 407 - C_GB1_44 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 380 416 - C_GB1_44 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 380 422 - C_GB1_44 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 380 424 - C_GB1_44 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 380 430 - C_GB1_44 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 380 431 - C_GB1_44 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 380 432 - C_GB1_44 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 380 433 - C_GB1_44 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 380 440 - C_GB1_44 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 380 442 + C_GB1_44 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 380 407 + C_GB1_44 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 380 416 + C_GB1_44 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 380 422 + C_GB1_44 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 380 424 + C_GB1_44 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 380 430 + C_GB1_44 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 380 431 + C_GB1_44 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 380 432 + C_GB1_44 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 380 433 + C_GB1_44 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 380 440 + C_GB1_44 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 380 442 C_GB1_44 O_GB1_51 1 3.647023e-03 1.158752e-05 ; 3.834205e-01 2.869632e-01 2.946850e-01 1.647129e-04 0.004395 0.011584 True md_ensemble 7 380 444 C_GB1_44 CA_GB1_52 1 6.149001e-03 2.700729e-05 ; 4.046809e-01 3.500000e-01 1.000000e+00 1.000561e-04 0.004395 0.008482 True md_ensemble 7 380 447 C_GB1_44 CB_GB1_52 1 1.112231e-02 9.987950e-05 ; 4.559112e-01 3.096374e-01 4.573291e-01 5.074076e-04 0.004395 0.001132 True md_ensemble 7 380 448 @@ -41778,25 +41778,25 @@ CG2_GB1_44 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- C_GB1_44 CG2_GB1_53 1 1.771340e-03 5.030407e-06 ; 3.763138e-01 1.559340e-01 2.324650e-02 1.043690e-03 0.004395 0.001132 True md_ensemble 7 380 462 C_GB1_44 C_GB1_53 1 7.585512e-03 4.264819e-05 ; 4.216829e-01 3.372945e-01 7.817095e-01 9.987430e-05 0.004395 0.011584 True md_ensemble 7 380 463 C_GB1_44 O_GB1_53 1 2.545683e-03 4.640064e-06 ; 3.495049e-01 3.491601e-01 9.838516e-01 1.000314e-04 0.004395 0.011584 True md_ensemble 7 380 464 - C_GB1_44 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 380 468 - C_GB1_44 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 380 469 - C_GB1_44 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 380 470 - C_GB1_44 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 380 476 - C_GB1_44 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 380 478 - C_GB1_44 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 380 484 - C_GB1_44 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 380 485 + C_GB1_44 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 380 468 + C_GB1_44 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 380 469 + C_GB1_44 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 380 470 + C_GB1_44 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 380 476 + C_GB1_44 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 380 478 + C_GB1_44 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 380 484 + C_GB1_44 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 380 485 O_GB1_44 O_GB1_44 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 381 381 O_GB1_44 H_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 381 383 - O_GB1_44 CB_GB1_45 1 0.000000e+00 2.015607e-06 ; 2.986727e-01 -2.015607e-06 9.999973e-01 9.999728e-01 0.004395 0.001132 True md_ensemble 4 381 385 - O_GB1_44 CG_GB1_45 1 0.000000e+00 1.152076e-06 ; 2.850702e-01 -1.152076e-06 3.017247e-02 4.233474e-01 0.004395 0.001132 True md_ensemble 5 381 386 - O_GB1_44 CD1_GB1_45 1 0.000000e+00 1.015990e-06 ; 2.820996e-01 -1.015990e-06 1.004392e-02 2.386532e-01 0.004395 0.001132 True md_ensemble 6 381 387 - O_GB1_44 CD2_GB1_45 1 0.000000e+00 1.015990e-06 ; 2.820996e-01 -1.015990e-06 1.004392e-02 2.386532e-01 0.004395 0.001132 True md_ensemble 6 381 388 - O_GB1_44 C_GB1_45 1 0.000000e+00 8.205490e-07 ; 2.771216e-01 -8.205490e-07 9.999473e-01 9.922154e-01 0.004395 0.001132 True md_ensemble 4 381 393 + O_GB1_44 CB_GB1_45 1 0.000000e+00 2.015599e-06 ; 2.986726e-01 -2.015599e-06 9.999973e-01 9.999728e-01 0.004395 0.001132 True md_ensemble 4 381 385 + O_GB1_44 CG_GB1_45 1 0.000000e+00 1.152071e-06 ; 2.850701e-01 -1.152071e-06 3.017247e-02 4.233474e-01 0.004395 0.001132 True md_ensemble 5 381 386 + O_GB1_44 CD1_GB1_45 1 0.000000e+00 1.015985e-06 ; 2.820995e-01 -1.015985e-06 1.004392e-02 2.386532e-01 0.004395 0.001132 True md_ensemble 6 381 387 + O_GB1_44 CD2_GB1_45 1 0.000000e+00 1.015985e-06 ; 2.820995e-01 -1.015985e-06 1.004392e-02 2.386532e-01 0.004395 0.001132 True md_ensemble 6 381 388 + O_GB1_44 C_GB1_45 1 0.000000e+00 8.205452e-07 ; 2.771215e-01 -8.205452e-07 9.999473e-01 9.922154e-01 0.004395 0.001132 True md_ensemble 4 381 393 O_GB1_44 O_GB1_45 1 0.000000e+00 1.679231e-06 ; 2.941627e-01 -1.679231e-06 6.568442e-01 7.763313e-01 0.004395 0.001132 True md_ensemble 5 381 394 O_GB1_44 N_GB1_46 1 0.000000e+00 1.435045e-06 ; 2.903357e-01 -1.435045e-06 8.748663e-01 8.315632e-01 0.004395 0.001132 True md_ensemble 5 381 395 - O_GB1_44 H_GB1_46 1 0.000000e+00 1.715682e-08 ; 2.007697e-01 -1.715682e-08 2.123473e-02 1.269707e-01 0.004395 0.001132 True md_ensemble 6 381 396 - O_GB1_44 CA_GB1_46 1 0.000000e+00 5.409285e-06 ; 3.242824e-01 -5.409285e-06 1.496837e-01 4.520291e-01 0.004395 0.001132 True md_ensemble 6 381 397 - O_GB1_44 CB_GB1_46 1 0.000000e+00 2.168753e-06 ; 3.005009e-01 -2.168753e-06 7.029200e-03 8.298296e-02 0.004395 0.007862 True md_ensemble 7 381 398 + O_GB1_44 H_GB1_46 1 0.000000e+00 1.715709e-08 ; 2.007699e-01 -1.715709e-08 2.123473e-02 1.269707e-01 0.004395 0.001132 True md_ensemble 6 381 396 + O_GB1_44 CA_GB1_46 1 0.000000e+00 5.409327e-06 ; 3.242826e-01 -5.409327e-06 1.496837e-01 4.520291e-01 0.004395 0.001132 True md_ensemble 6 381 397 + O_GB1_44 CB_GB1_46 1 0.000000e+00 2.168745e-06 ; 3.005009e-01 -2.168745e-06 7.029200e-03 8.298296e-02 0.004395 0.007862 True md_ensemble 7 381 398 O_GB1_44 OD1_GB1_46 1 0.000000e+00 1.633914e-06 ; 2.934928e-01 -1.633914e-06 1.998952e-02 1.092655e-01 0.004395 0.001132 True md_ensemble 7 381 400 O_GB1_44 OD2_GB1_46 1 0.000000e+00 1.633914e-06 ; 2.934928e-01 -1.633914e-06 1.998952e-02 1.092655e-01 0.004395 0.001132 True md_ensemble 7 381 401 O_GB1_44 O_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 381 403 @@ -41859,35 +41859,35 @@ CG2_GB1_44 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- O_GB1_44 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 381 488 O_GB1_44 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 381 490 O_GB1_44 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 381 491 - N_GB1_45 CB_GB1_45 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 382 385 - N_GB1_45 CD1_GB1_45 1 0.000000e+00 1.389119e-06 ; 2.895498e-01 -1.389119e-06 9.565513e-01 8.776271e-01 0.004395 0.001132 True md_ensemble 4 382 387 - N_GB1_45 CD2_GB1_45 1 0.000000e+00 1.389119e-06 ; 2.895498e-01 -1.389119e-06 9.565513e-01 8.776271e-01 0.004395 0.001132 True md_ensemble 4 382 388 + N_GB1_45 CB_GB1_45 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 382 385 + N_GB1_45 CD1_GB1_45 1 0.000000e+00 1.389100e-06 ; 2.895495e-01 -1.389100e-06 9.565513e-01 8.776271e-01 0.004395 0.001132 True md_ensemble 4 382 387 + N_GB1_45 CD2_GB1_45 1 0.000000e+00 1.389100e-06 ; 2.895495e-01 -1.389100e-06 9.565513e-01 8.776271e-01 0.004395 0.001132 True md_ensemble 4 382 388 N_GB1_45 CE1_GB1_45 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 0.000000e+00 3.138012e-01 0.004395 0.001132 True md_ensemble 5 382 389 N_GB1_45 CE2_GB1_45 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 0.000000e+00 3.208559e-01 0.004395 0.001132 True md_ensemble 5 382 390 N_GB1_45 CZ_GB1_45 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 0.000000e+00 2.846717e-02 0.004395 0.001132 True md_ensemble 6 382 391 - N_GB1_45 CA_GB1_46 1 0.000000e+00 7.574366e-06 ; 3.335087e-01 -7.574366e-06 1.000000e+00 9.999170e-01 0.004395 0.001132 True md_ensemble 4 382 397 - N_GB1_45 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 382 398 + N_GB1_45 CA_GB1_46 1 0.000000e+00 7.574354e-06 ; 3.335087e-01 -7.574354e-06 1.000000e+00 9.999170e-01 0.004395 0.001132 True md_ensemble 4 382 397 + N_GB1_45 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 382 398 N_GB1_45 CG_GB1_46 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 6.956300e-04 2.908223e-02 0.004395 0.001132 True md_ensemble 6 382 399 N_GB1_45 OD1_GB1_46 1 0.000000e+00 1.559546e-06 ; 2.923557e-01 -1.559546e-06 1.248178e-02 5.217938e-02 0.004395 0.011584 True md_ensemble 7 382 400 N_GB1_45 OD2_GB1_46 1 0.000000e+00 1.559546e-06 ; 2.923557e-01 -1.559546e-06 1.248178e-02 5.217938e-02 0.004395 0.011584 True md_ensemble 7 382 401 N_GB1_45 C_GB1_46 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 0.000000e+00 7.003708e-02 0.004395 0.001132 True md_ensemble 5 382 402 N_GB1_45 O_GB1_46 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 0.000000e+00 1.199367e-01 0.004395 0.001132 True md_ensemble 6 382 403 N_GB1_45 N_GB1_47 1 0.000000e+00 8.752940e-07 ; 2.786171e-01 -8.752940e-07 0.000000e+00 4.083107e-02 0.004395 0.001132 True md_ensemble 6 382 404 - N_GB1_45 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 382 407 + N_GB1_45 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 382 407 N_GB1_45 N_GB1_48 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 6.114628e-04 0.004395 0.001132 True md_ensemble 7 382 413 - N_GB1_45 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 382 416 + N_GB1_45 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 382 416 N_GB1_45 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 382 419 - N_GB1_45 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 382 422 - N_GB1_45 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 382 424 + N_GB1_45 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 382 422 + N_GB1_45 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 382 424 N_GB1_45 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 382 427 - N_GB1_45 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 382 430 - N_GB1_45 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 382 431 - N_GB1_45 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 382 432 - N_GB1_45 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 382 433 + N_GB1_45 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 382 430 + N_GB1_45 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 382 431 + N_GB1_45 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 382 432 + N_GB1_45 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 382 433 N_GB1_45 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 6.998204e-04 0.004395 0.001132 True md_ensemble 7 382 434 N_GB1_45 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 382 437 - N_GB1_45 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 382 440 - N_GB1_45 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 382 442 + N_GB1_45 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 382 440 + N_GB1_45 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 382 442 N_GB1_45 O_GB1_51 1 5.092835e-03 1.896540e-05 ; 3.937015e-01 3.418985e-01 8.546761e-01 1.969012e-04 0.004395 0.011584 True md_ensemble 7 382 444 N_GB1_45 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 382 445 N_GB1_45 CA_GB1_52 1 9.945729e-03 7.080863e-05 ; 4.386064e-01 3.492425e-01 9.854239e-01 1.250763e-04 0.004395 0.008482 True md_ensemble 7 382 447 @@ -41899,20 +41899,20 @@ CG2_GB1_44 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- N_GB1_45 N_GB1_53 1 1.798664e-03 6.885512e-06 ; 3.955163e-01 1.174638e-01 1.102849e-02 0.000000e+00 0.004395 0.001132 True md_ensemble 7 382 457 N_GB1_45 CA_GB1_53 1 4.575317e-03 5.278379e-05 ; 4.753497e-01 9.914752e-02 7.732680e-03 9.998544e-05 0.004395 0.008482 True md_ensemble 7 382 459 N_GB1_45 CB_GB1_53 1 6.231704e-03 6.813571e-05 ; 4.711162e-01 1.424882e-01 1.791310e-02 2.872688e-04 0.004395 0.001132 True md_ensemble 7 382 460 - N_GB1_45 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 382 462 + N_GB1_45 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 382 462 N_GB1_45 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 382 465 - N_GB1_45 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 382 468 - N_GB1_45 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 382 469 - N_GB1_45 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 382 470 + N_GB1_45 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 382 468 + N_GB1_45 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 382 469 + N_GB1_45 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 382 470 N_GB1_45 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 382 473 - N_GB1_45 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 382 476 - N_GB1_45 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 382 478 + N_GB1_45 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 382 476 + N_GB1_45 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 382 478 N_GB1_45 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 382 481 - N_GB1_45 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 382 484 - N_GB1_45 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 382 485 + N_GB1_45 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 382 484 + N_GB1_45 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 382 485 H_GB1_45 H_GB1_45 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 383 383 H_GB1_45 OH_GB1_45 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 383 392 - H_GB1_45 O_GB1_45 1 0.000000e+00 7.790887e-09 ; 1.879868e-01 -7.790887e-09 9.619276e-01 4.640407e-01 0.004395 0.001132 True md_ensemble 4 383 394 + H_GB1_45 O_GB1_45 1 0.000000e+00 7.791010e-09 ; 1.879870e-01 -7.791010e-09 9.619276e-01 4.640407e-01 0.004395 0.001132 True md_ensemble 4 383 394 H_GB1_45 H_GB1_46 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 383 396 H_GB1_45 OD1_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 383 400 H_GB1_45 OD2_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 383 401 @@ -41946,19 +41946,19 @@ CG2_GB1_44 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- H_GB1_45 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 383 488 H_GB1_45 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 383 490 H_GB1_45 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 383 491 - CA_GB1_45 CE1_GB1_45 1 0.000000e+00 1.305193e-05 ; 3.489806e-01 -1.305193e-05 9.999947e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 384 389 - CA_GB1_45 CE2_GB1_45 1 0.000000e+00 1.305193e-05 ; 3.489806e-01 -1.305193e-05 9.999947e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 384 390 - CA_GB1_45 CZ_GB1_45 1 0.000000e+00 1.304314e-05 ; 3.489610e-01 -1.304314e-05 9.999951e-01 9.993266e-01 0.004395 0.001132 True md_ensemble 5 384 391 + CA_GB1_45 CE1_GB1_45 1 0.000000e+00 1.305187e-05 ; 3.489804e-01 -1.305187e-05 9.999947e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 384 389 + CA_GB1_45 CE2_GB1_45 1 0.000000e+00 1.305187e-05 ; 3.489804e-01 -1.305187e-05 9.999947e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 384 390 + CA_GB1_45 CZ_GB1_45 1 0.000000e+00 1.304307e-05 ; 3.489608e-01 -1.304307e-05 9.999951e-01 9.993266e-01 0.004395 0.001132 True md_ensemble 5 384 391 CA_GB1_45 OH_GB1_45 1 0.000000e+00 5.735738e-06 ; 3.258698e-01 -5.735738e-06 0.000000e+00 1.967881e-06 0.004395 0.001132 True md_ensemble 6 384 392 - CA_GB1_45 CB_GB1_46 1 0.000000e+00 3.181371e-05 ; 3.758774e-01 -3.181371e-05 9.999983e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 384 398 - CA_GB1_45 CG_GB1_46 1 0.000000e+00 1.743369e-05 ; 3.575011e-01 -1.743369e-05 3.540811e-01 6.898049e-01 0.004395 0.001132 True md_ensemble 5 384 399 - CA_GB1_45 OD1_GB1_46 1 0.000000e+00 3.823489e-06 ; 3.150407e-01 -3.823489e-06 8.472055e-02 2.219159e-01 0.004395 0.001132 True md_ensemble 6 384 400 - CA_GB1_45 OD2_GB1_46 1 0.000000e+00 3.823489e-06 ; 3.150407e-01 -3.823489e-06 8.472055e-02 2.219159e-01 0.004395 0.001132 True md_ensemble 6 384 401 - CA_GB1_45 C_GB1_46 1 0.000000e+00 1.305190e-05 ; 3.489805e-01 -1.305190e-05 9.999971e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 384 402 - CA_GB1_45 O_GB1_46 1 0.000000e+00 2.907819e-06 ; 3.079349e-01 -2.907819e-06 8.235641e-01 5.236539e-01 0.004395 0.001132 True md_ensemble 5 384 403 - CA_GB1_45 N_GB1_47 1 0.000000e+00 5.563330e-06 ; 3.250421e-01 -5.563330e-06 8.482638e-01 5.826973e-01 0.004395 0.001132 True md_ensemble 5 384 404 - CA_GB1_45 CA_GB1_47 1 0.000000e+00 4.605045e-05 ; 3.876423e-01 -4.605045e-05 8.734921e-01 5.759546e-01 0.004395 0.001132 True md_ensemble 6 384 406 - CA_GB1_45 CB_GB1_47 1 0.000000e+00 3.796360e-05 ; 3.814541e-01 -3.796360e-05 6.693020e-03 2.000047e-01 0.004395 0.007117 True md_ensemble 7 384 407 + CA_GB1_45 CB_GB1_46 1 0.000000e+00 3.181357e-05 ; 3.758772e-01 -3.181357e-05 9.999983e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 384 398 + CA_GB1_45 CG_GB1_46 1 0.000000e+00 1.743360e-05 ; 3.575010e-01 -1.743360e-05 3.540811e-01 6.898049e-01 0.004395 0.001132 True md_ensemble 5 384 399 + CA_GB1_45 OD1_GB1_46 1 0.000000e+00 3.823520e-06 ; 3.150409e-01 -3.823520e-06 8.472055e-02 2.219159e-01 0.004395 0.001132 True md_ensemble 6 384 400 + CA_GB1_45 OD2_GB1_46 1 0.000000e+00 3.823520e-06 ; 3.150409e-01 -3.823520e-06 8.472055e-02 2.219159e-01 0.004395 0.001132 True md_ensemble 6 384 401 + CA_GB1_45 C_GB1_46 1 0.000000e+00 1.305184e-05 ; 3.489803e-01 -1.305184e-05 9.999971e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 384 402 + CA_GB1_45 O_GB1_46 1 0.000000e+00 2.907842e-06 ; 3.079351e-01 -2.907842e-06 8.235641e-01 5.236539e-01 0.004395 0.001132 True md_ensemble 5 384 403 + CA_GB1_45 N_GB1_47 1 0.000000e+00 5.563321e-06 ; 3.250420e-01 -5.563321e-06 8.482638e-01 5.826973e-01 0.004395 0.001132 True md_ensemble 5 384 404 + CA_GB1_45 CA_GB1_47 1 0.000000e+00 4.605079e-05 ; 3.876425e-01 -4.605079e-05 8.734921e-01 5.759546e-01 0.004395 0.001132 True md_ensemble 6 384 406 + CA_GB1_45 CB_GB1_47 1 0.000000e+00 3.796344e-05 ; 3.814540e-01 -3.796344e-05 6.693020e-03 2.000047e-01 0.004395 0.007117 True md_ensemble 7 384 407 CA_GB1_45 N_GB1_51 1 4.639168e-03 5.475322e-05 ; 4.771573e-01 9.826762e-02 7.601917e-03 4.807457e-04 0.004395 0.008482 True md_ensemble 7 384 437 CA_GB1_45 CA_GB1_51 1 2.674916e-02 5.111628e-04 ; 5.170607e-01 3.499460e-01 9.989536e-01 5.001991e-03 0.004395 0.006476 True md_ensemble 7 384 439 CA_GB1_45 CB_GB1_51 1 3.399864e-02 1.058310e-03 ; 5.608653e-01 2.730550e-01 5.267873e-01 1.515923e-02 0.004395 0.006476 True md_ensemble 7 384 440 @@ -41978,40 +41978,40 @@ CG2_GB1_44 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- CA_GB1_45 CA_GB1_53 1 3.773678e-02 1.035796e-03 ; 5.492266e-01 3.437126e-01 8.852645e-01 1.809451e-03 0.004395 0.006476 True md_ensemble 7 384 459 CA_GB1_45 CB_GB1_53 1 3.684471e-02 1.062137e-03 ; 5.537336e-01 3.195286e-01 5.539775e-01 3.639921e-03 0.004395 0.006476 True md_ensemble 7 384 460 CA_GB1_45 CG2_GB1_53 1 7.427350e-03 1.095826e-04 ; 4.952426e-01 1.258537e-01 1.297604e-02 3.840350e-03 0.004395 0.010759 True md_ensemble 7 384 462 - CB_GB1_45 CZ_GB1_45 1 0.000000e+00 6.333961e-06 ; 3.285751e-01 -6.333961e-06 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 385 391 - CB_GB1_45 OH_GB1_45 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 392 - CB_GB1_45 C_GB1_45 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 393 + CB_GB1_45 CZ_GB1_45 1 0.000000e+00 6.333855e-06 ; 3.285746e-01 -6.333855e-06 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 385 391 + CB_GB1_45 OH_GB1_45 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 392 + CB_GB1_45 C_GB1_45 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 393 CB_GB1_45 O_GB1_45 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 394 - CB_GB1_45 N_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 395 - CB_GB1_45 CA_GB1_46 1 0.000000e+00 3.181365e-05 ; 3.758773e-01 -3.181365e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 385 397 - CB_GB1_45 CB_GB1_46 1 0.000000e+00 2.198730e-05 ; 3.644819e-01 -2.198730e-05 1.817099e-01 6.058596e-01 0.004395 0.001132 True md_ensemble 5 385 398 - CB_GB1_45 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 399 - CB_GB1_45 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 400 - CB_GB1_45 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 401 - CB_GB1_45 C_GB1_46 1 0.000000e+00 3.464691e-06 ; 3.124643e-01 -3.464691e-06 9.878123e-01 5.348145e-01 0.004395 0.001132 True md_ensemble 5 385 402 - CB_GB1_45 O_GB1_46 1 0.000000e+00 2.357642e-06 ; 3.025995e-01 -2.357642e-06 1.899236e-02 1.886571e-01 0.004395 0.001132 True md_ensemble 6 385 403 - CB_GB1_45 N_GB1_47 1 0.000000e+00 4.225229e-06 ; 3.176746e-01 -4.225229e-06 1.003940e-01 2.497779e-01 0.004395 0.001132 True md_ensemble 6 385 404 + CB_GB1_45 N_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 395 + CB_GB1_45 CA_GB1_46 1 0.000000e+00 3.181352e-05 ; 3.758772e-01 -3.181352e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 385 397 + CB_GB1_45 CB_GB1_46 1 0.000000e+00 2.198696e-05 ; 3.644814e-01 -2.198696e-05 1.817099e-01 6.058596e-01 0.004395 0.001132 True md_ensemble 5 385 398 + CB_GB1_45 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 399 + CB_GB1_45 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 400 + CB_GB1_45 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 401 + CB_GB1_45 C_GB1_46 1 0.000000e+00 3.464632e-06 ; 3.124638e-01 -3.464632e-06 9.878123e-01 5.348145e-01 0.004395 0.001132 True md_ensemble 5 385 402 + CB_GB1_45 O_GB1_46 1 0.000000e+00 2.357633e-06 ; 3.025994e-01 -2.357633e-06 1.899236e-02 1.886571e-01 0.004395 0.001132 True md_ensemble 6 385 403 + CB_GB1_45 N_GB1_47 1 0.000000e+00 4.225173e-06 ; 3.176743e-01 -4.225173e-06 1.003940e-01 2.497779e-01 0.004395 0.001132 True md_ensemble 6 385 404 CB_GB1_45 CA_GB1_47 1 1.034858e-02 2.190634e-04 ; 5.259545e-01 1.222170e-01 4.582025e-01 2.696484e-01 0.004395 0.007117 True md_ensemble 7 385 406 - CB_GB1_45 CB_GB1_47 1 0.000000e+00 1.747965e-05 ; 3.575796e-01 -1.747965e-05 1.161226e-02 1.437945e-01 0.004395 0.007860 True md_ensemble 7 385 407 - CB_GB1_45 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 408 - CB_GB1_45 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 409 - CB_GB1_45 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 410 - CB_GB1_45 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 411 + CB_GB1_45 CB_GB1_47 1 0.000000e+00 1.747937e-05 ; 3.575791e-01 -1.747937e-05 1.161226e-02 1.437945e-01 0.004395 0.007860 True md_ensemble 7 385 407 + CB_GB1_45 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 408 + CB_GB1_45 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 409 + CB_GB1_45 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 410 + CB_GB1_45 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 411 CB_GB1_45 O_GB1_47 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.805405e-02 0.004395 0.007862 True md_ensemble 7 385 412 - CB_GB1_45 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 413 - CB_GB1_45 C_GB1_48 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 417 + CB_GB1_45 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 413 + CB_GB1_45 C_GB1_48 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 417 CB_GB1_45 O_GB1_48 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.252424e-02 0.004395 0.007862 True md_ensemble 7 385 418 - CB_GB1_45 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 419 - CB_GB1_45 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 423 - CB_GB1_45 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 425 + CB_GB1_45 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 419 + CB_GB1_45 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 423 + CB_GB1_45 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 425 CB_GB1_45 O_GB1_49 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.848723e-03 0.004395 0.007862 True md_ensemble 7 385 426 - CB_GB1_45 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 427 - CB_GB1_45 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 434 - CB_GB1_45 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 435 + CB_GB1_45 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 427 + CB_GB1_45 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 434 + CB_GB1_45 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 435 CB_GB1_45 O_GB1_50 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.651866e-03 0.004395 0.007862 True md_ensemble 7 385 436 - CB_GB1_45 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 437 + CB_GB1_45 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 437 CB_GB1_45 CA_GB1_51 1 1.680559e-02 4.001984e-04 ; 5.363772e-01 1.764298e-01 5.179524e-02 1.065780e-02 0.004395 0.007117 True md_ensemble 7 385 439 - CB_GB1_45 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 441 + CB_GB1_45 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 441 CB_GB1_45 C_GB1_51 1 1.150741e-02 1.018492e-04 ; 4.548100e-01 3.250403e-01 6.164388e-01 1.067562e-03 0.004395 0.001132 True md_ensemble 7 385 443 CB_GB1_45 O_GB1_51 1 4.549375e-03 1.495822e-05 ; 3.856157e-01 3.459102e-01 9.237885e-01 1.533142e-03 0.004395 0.007862 True md_ensemble 7 385 444 CB_GB1_45 N_GB1_52 1 6.253091e-03 4.700326e-05 ; 4.425940e-01 2.079704e-01 6.373793e-02 6.252871e-04 0.004395 0.001132 True md_ensemble 7 385 445 @@ -42023,37 +42023,37 @@ CG2_GB1_44 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- CB_GB1_45 CE1_GB1_52 1 2.518341e-03 4.534211e-06 ; 3.487904e-01 3.496772e-01 9.937623e-01 1.072596e-02 0.004395 0.012152 True md_ensemble 7 385 452 CB_GB1_45 CE2_GB1_52 1 2.518341e-03 4.534211e-06 ; 3.487904e-01 3.496772e-01 9.937623e-01 1.072596e-02 0.004395 0.012152 True md_ensemble 7 385 453 CB_GB1_45 CZ_GB1_52 1 6.778318e-03 3.397541e-05 ; 4.136888e-01 3.380798e-01 7.937000e-01 1.208050e-02 0.004395 0.012152 True md_ensemble 7 385 454 - CB_GB1_45 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 455 + CB_GB1_45 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 455 CB_GB1_45 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.464891e-03 0.004395 0.007862 True md_ensemble 7 385 456 - CB_GB1_45 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 457 - CB_GB1_45 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 461 - CB_GB1_45 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 463 + CB_GB1_45 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 457 + CB_GB1_45 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 461 + CB_GB1_45 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 463 CB_GB1_45 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.375272e-04 0.004395 0.007862 True md_ensemble 7 385 464 - CB_GB1_45 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 465 - CB_GB1_45 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 471 + CB_GB1_45 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 465 + CB_GB1_45 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 471 CB_GB1_45 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.904872e-04 0.004395 0.007862 True md_ensemble 7 385 472 - CB_GB1_45 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 473 - CB_GB1_45 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 477 - CB_GB1_45 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 479 + CB_GB1_45 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 473 + CB_GB1_45 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 477 + CB_GB1_45 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 479 CB_GB1_45 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.012202e-04 0.004395 0.007862 True md_ensemble 7 385 480 - CB_GB1_45 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 481 - CB_GB1_45 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 486 - CB_GB1_45 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 487 - CB_GB1_45 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 488 - CB_GB1_45 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 489 - CB_GB1_45 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 490 - CB_GB1_45 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 491 - CG_GB1_45 OH_GB1_45 1 0.000000e+00 1.141955e-06 ; 2.848606e-01 -1.141955e-06 1.000000e+00 9.999949e-01 0.004395 0.001132 True md_ensemble 4 386 392 - CG_GB1_45 O_GB1_45 1 0.000000e+00 4.902714e-07 ; 2.654797e-01 -4.902714e-07 9.999938e-01 5.928660e-01 0.004395 0.001132 True md_ensemble 4 386 394 - CG_GB1_45 N_GB1_46 1 0.000000e+00 1.147841e-06 ; 2.849827e-01 -1.147841e-06 9.999933e-01 7.610859e-01 0.004395 0.001132 True md_ensemble 4 386 395 - CG_GB1_45 CA_GB1_46 1 0.000000e+00 4.923307e-06 ; 3.217484e-01 -4.923307e-06 1.000000e+00 3.772110e-01 0.004395 0.001132 True md_ensemble 5 386 397 - CG_GB1_45 CB_GB1_46 1 0.000000e+00 6.647031e-06 ; 3.298987e-01 -6.647031e-06 1.113543e-02 6.056261e-02 0.004395 0.001132 True md_ensemble 6 386 398 + CB_GB1_45 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 481 + CB_GB1_45 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 486 + CB_GB1_45 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 487 + CB_GB1_45 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 488 + CB_GB1_45 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 489 + CB_GB1_45 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 490 + CB_GB1_45 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 385 491 + CG_GB1_45 OH_GB1_45 1 0.000000e+00 1.141937e-06 ; 2.848602e-01 -1.141937e-06 1.000000e+00 9.999949e-01 0.004395 0.001132 True md_ensemble 4 386 392 + CG_GB1_45 O_GB1_45 1 0.000000e+00 4.902692e-07 ; 2.654796e-01 -4.902692e-07 9.999938e-01 5.928660e-01 0.004395 0.001132 True md_ensemble 4 386 394 + CG_GB1_45 N_GB1_46 1 0.000000e+00 1.147825e-06 ; 2.849824e-01 -1.147825e-06 9.999933e-01 7.610859e-01 0.004395 0.001132 True md_ensemble 4 386 395 + CG_GB1_45 CA_GB1_46 1 0.000000e+00 4.923282e-06 ; 3.217483e-01 -4.923282e-06 1.000000e+00 3.772110e-01 0.004395 0.001132 True md_ensemble 5 386 397 + CG_GB1_45 CB_GB1_46 1 0.000000e+00 6.646919e-06 ; 3.298983e-01 -6.646919e-06 1.113543e-02 6.056261e-02 0.004395 0.001132 True md_ensemble 6 386 398 CG_GB1_45 C_GB1_46 1 1.284619e-03 3.540692e-06 ; 3.744429e-01 1.165200e-01 9.997205e-01 1.044760e-01 0.004395 0.001132 True md_ensemble 6 386 402 CG_GB1_45 O_GB1_46 1 2.352649e-03 5.998163e-06 ; 3.696098e-01 2.306939e-01 5.542740e-01 8.533539e-02 0.004395 0.015244 True md_ensemble 7 386 403 CG_GB1_45 N_GB1_47 1 4.100770e-03 1.523580e-05 ; 3.935501e-01 2.759342e-01 7.739822e-01 4.957930e-02 0.004395 0.015244 True md_ensemble 7 386 404 CG_GB1_45 CA_GB1_47 1 7.694552e-03 5.823495e-05 ; 4.430983e-01 2.541692e-01 9.920045e-01 6.838999e-02 0.004395 0.010759 True md_ensemble 7 386 406 CG_GB1_45 CB_GB1_47 1 8.020737e-03 7.033380e-05 ; 4.541071e-01 2.286675e-01 3.835919e-01 4.896482e-02 0.004395 0.012152 True md_ensemble 7 386 407 - CG_GB1_45 CG_GB1_47 1 0.000000e+00 2.634615e-06 ; 3.054134e-01 -2.634615e-06 5.275357e-03 1.914657e-02 0.004395 0.015243 True md_ensemble 7 386 408 + CG_GB1_45 CG_GB1_47 1 0.000000e+00 2.634569e-06 ; 3.054130e-01 -2.634569e-06 5.275357e-03 1.914657e-02 0.004395 0.015243 True md_ensemble 7 386 408 CG_GB1_45 CA_GB1_50 1 7.138169e-03 1.045195e-04 ; 4.946163e-01 1.218755e-01 1.201306e-02 1.029300e-02 0.004395 0.010759 True md_ensemble 7 386 429 CG_GB1_45 CA_GB1_51 1 1.383044e-02 2.026391e-04 ; 4.946688e-01 2.359873e-01 1.097095e-01 5.918900e-03 0.004395 0.010759 True md_ensemble 7 386 439 CG_GB1_45 C_GB1_51 1 7.215966e-03 4.233743e-05 ; 4.246896e-01 3.074712e-01 4.385245e-01 8.039013e-04 0.004395 0.015243 True md_ensemble 7 386 443 @@ -42067,9 +42067,9 @@ CG2_GB1_44 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- CG_GB1_45 CE1_GB1_52 1 1.928753e-03 2.659613e-06 ; 3.336238e-01 3.496833e-01 9.938806e-01 6.744012e-03 0.004395 0.020720 True md_ensemble 7 386 452 CG_GB1_45 CE2_GB1_52 1 1.928753e-03 2.659613e-06 ; 3.336238e-01 3.496833e-01 9.938806e-01 6.744012e-03 0.004395 0.020720 True md_ensemble 7 386 453 CG_GB1_45 CZ_GB1_52 1 3.302153e-03 7.869910e-06 ; 3.654787e-01 3.463893e-01 9.324071e-01 8.557486e-03 0.004395 0.020720 True md_ensemble 7 386 454 -CD1_GB1_45 C_GB1_45 1 0.000000e+00 2.260275e-06 ; 3.015378e-01 -2.260275e-06 1.000000e+00 8.698149e-01 0.004395 0.001132 True md_ensemble 4 387 393 +CD1_GB1_45 C_GB1_45 1 0.000000e+00 2.260235e-06 ; 3.015374e-01 -2.260235e-06 1.000000e+00 8.698149e-01 0.004395 0.001132 True md_ensemble 4 387 393 CD1_GB1_45 O_GB1_45 1 3.459301e-04 3.986028e-07 ; 3.237864e-01 7.505443e-02 9.597644e-01 2.240569e-01 0.004395 0.001132 True md_ensemble 5 387 394 -CD1_GB1_45 N_GB1_46 1 0.000000e+00 4.401161e-07 ; 2.631029e-01 -4.401161e-07 9.999945e-01 2.918199e-01 0.004395 0.001132 True md_ensemble 5 387 395 +CD1_GB1_45 N_GB1_46 1 0.000000e+00 4.401099e-07 ; 2.631026e-01 -4.401099e-07 9.999945e-01 2.918199e-01 0.004395 0.001132 True md_ensemble 5 387 395 CD1_GB1_45 CA_GB1_46 1 1.191907e-03 4.726164e-06 ; 3.978424e-01 7.514774e-02 9.999895e-01 2.330256e-01 0.004395 0.001132 True md_ensemble 6 387 397 CD1_GB1_45 CB_GB1_46 1 5.543438e-03 5.764150e-05 ; 4.671891e-01 1.332794e-01 8.087084e-02 6.558144e-02 0.004395 0.012152 True md_ensemble 7 387 398 CD1_GB1_45 C_GB1_46 1 2.309036e-03 5.186628e-06 ; 3.618893e-01 2.569900e-01 9.977774e-01 9.227209e-02 0.004395 0.015243 True md_ensemble 7 387 402 @@ -42097,9 +42097,9 @@ CD1_GB1_45 CD2_GB1_52 1 1.271903e-03 1.155565e-06 ; 3.112123e-01 3.499881e- CD1_GB1_45 CE1_GB1_52 1 1.056701e-03 7.976096e-07 ; 3.017447e-01 3.499888e-01 9.997831e-01 9.051133e-03 0.004395 0.020720 True md_ensemble 7 387 452 CD1_GB1_45 CE2_GB1_52 1 1.056701e-03 7.976096e-07 ; 3.017447e-01 3.499888e-01 9.997831e-01 9.051133e-03 0.004395 0.020720 True md_ensemble 7 387 453 CD1_GB1_45 CZ_GB1_52 1 1.279882e-03 1.170084e-06 ; 3.115357e-01 3.499960e-01 9.999218e-01 1.066455e-02 0.004395 0.020720 True md_ensemble 7 387 454 -CD2_GB1_45 C_GB1_45 1 0.000000e+00 2.260275e-06 ; 3.015378e-01 -2.260275e-06 1.000000e+00 8.698149e-01 0.004395 0.001132 True md_ensemble 4 388 393 +CD2_GB1_45 C_GB1_45 1 0.000000e+00 2.260235e-06 ; 3.015374e-01 -2.260235e-06 1.000000e+00 8.698149e-01 0.004395 0.001132 True md_ensemble 4 388 393 CD2_GB1_45 O_GB1_45 1 3.459301e-04 3.986028e-07 ; 3.237864e-01 7.505443e-02 9.597644e-01 2.240569e-01 0.004395 0.001132 True md_ensemble 5 388 394 -CD2_GB1_45 N_GB1_46 1 0.000000e+00 4.401161e-07 ; 2.631029e-01 -4.401161e-07 9.999945e-01 2.918199e-01 0.004395 0.001132 True md_ensemble 5 388 395 +CD2_GB1_45 N_GB1_46 1 0.000000e+00 4.401099e-07 ; 2.631026e-01 -4.401099e-07 9.999945e-01 2.918199e-01 0.004395 0.001132 True md_ensemble 5 388 395 CD2_GB1_45 CA_GB1_46 1 1.191907e-03 4.726164e-06 ; 3.978424e-01 7.514774e-02 9.999895e-01 2.330256e-01 0.004395 0.001132 True md_ensemble 6 388 397 CD2_GB1_45 CB_GB1_46 1 5.543438e-03 5.764150e-05 ; 4.671891e-01 1.332794e-01 8.087084e-02 6.558144e-02 0.004395 0.012152 True md_ensemble 7 388 398 CD2_GB1_45 C_GB1_46 1 2.309036e-03 5.186628e-06 ; 3.618893e-01 2.569900e-01 9.977774e-01 9.227209e-02 0.004395 0.015243 True md_ensemble 7 388 402 @@ -42128,7 +42128,7 @@ CD2_GB1_45 CE1_GB1_52 1 1.056701e-03 7.976096e-07 ; 3.017447e-01 3.499888e- CD2_GB1_45 CE2_GB1_52 1 1.056701e-03 7.976096e-07 ; 3.017447e-01 3.499888e-01 9.997831e-01 9.051133e-03 0.004395 0.020720 True md_ensemble 7 388 453 CD2_GB1_45 CZ_GB1_52 1 1.279882e-03 1.170084e-06 ; 3.115357e-01 3.499960e-01 9.999218e-01 1.066455e-02 0.004395 0.020720 True md_ensemble 7 388 454 CE1_GB1_45 C_GB1_45 1 1.599117e-03 7.372915e-06 ; 4.079684e-01 8.670846e-02 9.654967e-01 1.798213e-01 0.004395 0.001132 True md_ensemble 5 389 393 -CE1_GB1_45 O_GB1_45 1 0.000000e+00 8.260068e-07 ; 2.772747e-01 -8.260068e-07 6.237129e-02 6.123940e-02 0.004395 0.001132 True md_ensemble 6 389 394 +CE1_GB1_45 O_GB1_45 1 0.000000e+00 8.260030e-07 ; 2.772746e-01 -8.260030e-07 6.237129e-02 6.123940e-02 0.004395 0.001132 True md_ensemble 6 389 394 CE1_GB1_45 N_GB1_46 1 1.367044e-03 3.737426e-06 ; 3.739369e-01 1.250065e-01 9.494797e-01 8.417524e-02 0.004395 0.001132 True md_ensemble 6 389 395 CE1_GB1_45 CA_GB1_46 1 6.228646e-03 4.202407e-05 ; 4.346944e-01 2.307965e-01 9.959617e-01 1.080122e-01 0.004395 0.010759 True md_ensemble 7 389 397 CE1_GB1_45 C_GB1_46 1 2.518861e-03 5.446127e-06 ; 3.595952e-01 2.912465e-01 9.948084e-01 4.735938e-02 0.004395 0.015243 True md_ensemble 7 389 402 @@ -42140,7 +42140,7 @@ CE1_GB1_45 CG_GB1_47 1 1.790905e-03 2.689261e-06 ; 3.383972e-01 2.981619e- CE1_GB1_45 OD1_GB1_47 1 8.003704e-04 5.560406e-07 ; 2.976020e-01 2.880153e-01 4.508247e-01 2.284990e-02 0.004395 0.015244 True md_ensemble 7 389 409 CE1_GB1_45 OD2_GB1_47 1 8.003704e-04 5.560406e-07 ; 2.976020e-01 2.880153e-01 4.508247e-01 2.284990e-02 0.004395 0.015244 True md_ensemble 7 389 410 CE1_GB1_45 C_GB1_47 1 6.034199e-03 3.623393e-05 ; 4.263333e-01 2.512256e-01 2.067917e-01 2.138429e-02 0.004395 0.015243 True md_ensemble 7 389 411 -CE1_GB1_45 O_GB1_47 1 0.000000e+00 8.388051e-07 ; 2.776302e-01 -8.388051e-07 5.385582e-03 1.973026e-02 0.004395 0.015244 True md_ensemble 7 389 412 +CE1_GB1_45 O_GB1_47 1 0.000000e+00 8.388012e-07 ; 2.776301e-01 -8.388012e-07 5.385582e-03 1.973026e-02 0.004395 0.015244 True md_ensemble 7 389 412 CE1_GB1_45 N_GB1_50 1 4.186220e-03 2.067085e-05 ; 4.126572e-01 2.119463e-01 6.884414e-02 1.728738e-03 0.004395 0.015244 True md_ensemble 7 389 427 CE1_GB1_45 CA_GB1_50 1 3.044199e-03 6.789234e-06 ; 3.614581e-01 3.412442e-01 1.000000e+00 1.274924e-02 0.004395 0.010759 True md_ensemble 7 389 429 CE1_GB1_45 CB_GB1_50 1 9.134537e-03 6.115919e-05 ; 4.341394e-01 3.410761e-01 8.411608e-01 1.130694e-02 0.004395 0.012152 True md_ensemble 7 389 430 @@ -42163,7 +42163,7 @@ CE1_GB1_45 CE1_GB1_52 1 1.348881e-03 1.300404e-06 ; 3.143046e-01 3.497914e- CE1_GB1_45 CE2_GB1_52 1 1.348881e-03 1.300404e-06 ; 3.143046e-01 3.497914e-01 9.959646e-01 1.006147e-02 0.004395 0.020720 True md_ensemble 7 389 453 CE1_GB1_45 CZ_GB1_52 1 1.556930e-03 1.731655e-06 ; 3.218835e-01 3.499588e-01 9.992015e-01 1.006767e-02 0.004395 0.020720 True md_ensemble 7 389 454 CE2_GB1_45 C_GB1_45 1 1.599117e-03 7.372915e-06 ; 4.079684e-01 8.670846e-02 9.654967e-01 1.798213e-01 0.004395 0.001132 True md_ensemble 5 390 393 -CE2_GB1_45 O_GB1_45 1 0.000000e+00 8.260068e-07 ; 2.772747e-01 -8.260068e-07 6.237129e-02 6.123940e-02 0.004395 0.001132 True md_ensemble 6 390 394 +CE2_GB1_45 O_GB1_45 1 0.000000e+00 8.260030e-07 ; 2.772746e-01 -8.260030e-07 6.237129e-02 6.123940e-02 0.004395 0.001132 True md_ensemble 6 390 394 CE2_GB1_45 N_GB1_46 1 1.367044e-03 3.737426e-06 ; 3.739369e-01 1.250065e-01 9.494797e-01 8.417524e-02 0.004395 0.001132 True md_ensemble 6 390 395 CE2_GB1_45 CA_GB1_46 1 6.228646e-03 4.202407e-05 ; 4.346944e-01 2.307965e-01 9.959617e-01 1.080122e-01 0.004395 0.010759 True md_ensemble 7 390 397 CE2_GB1_45 C_GB1_46 1 2.518861e-03 5.446127e-06 ; 3.595952e-01 2.912465e-01 9.948084e-01 4.735938e-02 0.004395 0.015243 True md_ensemble 7 390 402 @@ -42175,7 +42175,7 @@ CE2_GB1_45 CG_GB1_47 1 1.790905e-03 2.689261e-06 ; 3.383972e-01 2.981619e- CE2_GB1_45 OD1_GB1_47 1 8.003704e-04 5.560406e-07 ; 2.976020e-01 2.880153e-01 4.508247e-01 2.284990e-02 0.004395 0.015244 True md_ensemble 7 390 409 CE2_GB1_45 OD2_GB1_47 1 8.003704e-04 5.560406e-07 ; 2.976020e-01 2.880153e-01 4.508247e-01 2.284990e-02 0.004395 0.015244 True md_ensemble 7 390 410 CE2_GB1_45 C_GB1_47 1 6.034199e-03 3.623393e-05 ; 4.263333e-01 2.512256e-01 2.067917e-01 2.138429e-02 0.004395 0.015243 True md_ensemble 7 390 411 -CE2_GB1_45 O_GB1_47 1 0.000000e+00 8.388051e-07 ; 2.776302e-01 -8.388051e-07 5.385582e-03 1.973026e-02 0.004395 0.015244 True md_ensemble 7 390 412 +CE2_GB1_45 O_GB1_47 1 0.000000e+00 8.388012e-07 ; 2.776301e-01 -8.388012e-07 5.385582e-03 1.973026e-02 0.004395 0.015244 True md_ensemble 7 390 412 CE2_GB1_45 N_GB1_50 1 4.186220e-03 2.067085e-05 ; 4.126572e-01 2.119463e-01 6.884414e-02 1.728738e-03 0.004395 0.015244 True md_ensemble 7 390 427 CE2_GB1_45 CA_GB1_50 1 3.044199e-03 6.789234e-06 ; 3.614581e-01 3.412442e-01 1.000000e+00 1.274924e-02 0.004395 0.010759 True md_ensemble 7 390 429 CE2_GB1_45 CB_GB1_50 1 9.134537e-03 6.115919e-05 ; 4.341394e-01 3.410761e-01 8.411608e-01 1.130694e-02 0.004395 0.012152 True md_ensemble 7 390 430 @@ -42228,7 +42228,7 @@ CE2_GB1_45 CZ_GB1_52 1 1.556930e-03 1.731655e-06 ; 3.218835e-01 3.499588e- CZ_GB1_45 CE2_GB1_52 1 4.648799e-03 1.654124e-05 ; 3.907250e-01 3.266281e-01 6.357049e-01 9.217402e-03 0.004395 0.020720 True md_ensemble 7 391 453 CZ_GB1_45 CZ_GB1_52 1 4.177886e-03 1.285044e-05 ; 3.813528e-01 3.395746e-01 8.170322e-01 1.009836e-02 0.004395 0.020720 True md_ensemble 7 391 454 OH_GB1_45 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 392 396 - OH_GB1_45 CB_GB1_46 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 392 398 + OH_GB1_45 CB_GB1_46 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 392 398 OH_GB1_45 C_GB1_46 1 4.126991e-03 1.544708e-05 ; 3.940356e-01 2.756518e-01 2.366676e-01 1.415628e-03 0.004395 0.011584 True md_ensemble 7 392 402 OH_GB1_45 O_GB1_46 1 1.924124e-03 3.199398e-06 ; 3.441960e-01 2.892929e-01 3.210446e-01 1.206313e-02 0.004395 0.011584 True md_ensemble 7 392 403 OH_GB1_45 N_GB1_47 1 3.194619e-03 9.304702e-06 ; 3.779032e-01 2.742052e-01 2.301235e-01 4.506381e-04 0.004395 0.011584 True md_ensemble 7 392 404 @@ -42241,10 +42241,10 @@ CE2_GB1_45 CZ_GB1_52 1 1.556930e-03 1.731655e-06 ; 3.218835e-01 3.499588e- OH_GB1_45 C_GB1_47 1 4.260116e-03 1.492848e-05 ; 3.897317e-01 3.039256e-01 4.093991e-01 4.401862e-03 0.004395 0.011584 True md_ensemble 7 392 411 OH_GB1_45 O_GB1_47 1 1.322160e-03 1.754370e-06 ; 3.314918e-01 2.491077e-01 1.414788e-01 5.320155e-03 0.004395 0.011584 True md_ensemble 7 392 412 OH_GB1_45 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 392 414 - OH_GB1_45 CB_GB1_48 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 392 416 + OH_GB1_45 CB_GB1_48 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 392 416 OH_GB1_45 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 392 420 - OH_GB1_45 CB_GB1_49 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 392 422 - OH_GB1_45 CG2_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 392 424 + OH_GB1_45 CB_GB1_49 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 392 422 + OH_GB1_45 CG2_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 392 424 OH_GB1_45 N_GB1_50 1 2.136131e-03 6.829916e-06 ; 3.838232e-01 1.670246e-01 2.882156e-02 1.272162e-03 0.004395 0.011584 True md_ensemble 7 392 427 OH_GB1_45 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 392 428 OH_GB1_45 CA_GB1_50 1 2.223321e-03 3.533106e-06 ; 3.416062e-01 3.497741e-01 9.956312e-01 7.825287e-03 0.004395 0.008483 True md_ensemble 7 392 429 @@ -42257,71 +42257,71 @@ CE2_GB1_45 CZ_GB1_52 1 1.556930e-03 1.731655e-06 ; 3.218835e-01 3.499588e- OH_GB1_45 O_GB1_50 1 7.403809e-04 1.629985e-06 ; 3.606795e-01 8.407498e-02 5.773642e-03 3.831785e-03 0.004395 0.011584 True md_ensemble 7 392 436 OH_GB1_45 N_GB1_51 1 1.447229e-03 4.135720e-06 ; 3.767058e-01 1.266086e-01 1.316729e-02 1.898704e-03 0.004395 0.011584 True md_ensemble 7 392 437 OH_GB1_45 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 392 438 - OH_GB1_45 CB_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 392 440 - OH_GB1_45 CG2_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 392 442 + OH_GB1_45 CB_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 392 440 + OH_GB1_45 CG2_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 392 442 OH_GB1_45 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 392 446 - OH_GB1_45 CB_GB1_52 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 392 448 + OH_GB1_45 CB_GB1_52 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 392 448 OH_GB1_45 CE1_GB1_52 1 2.153713e-03 6.731471e-06 ; 3.823728e-01 1.722684e-01 3.190507e-02 7.394445e-03 0.004395 0.015244 True md_ensemble 7 392 452 OH_GB1_45 CE2_GB1_52 1 2.153713e-03 6.731471e-06 ; 3.823728e-01 1.722684e-01 3.190507e-02 7.394445e-03 0.004395 0.015244 True md_ensemble 7 392 453 OH_GB1_45 CZ_GB1_52 1 2.333494e-03 7.844866e-06 ; 3.870465e-01 1.735273e-01 3.269321e-02 7.635208e-03 0.004395 0.015244 True md_ensemble 7 392 454 OH_GB1_45 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 392 458 - OH_GB1_45 CB_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 392 460 - OH_GB1_45 CG2_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 392 462 + OH_GB1_45 CB_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 392 460 + OH_GB1_45 CG2_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 392 462 OH_GB1_45 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 392 466 - OH_GB1_45 CB_GB1_54 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 392 468 - OH_GB1_45 CG1_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 392 469 - OH_GB1_45 CG2_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 392 470 + OH_GB1_45 CB_GB1_54 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 392 468 + OH_GB1_45 CG1_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 392 469 + OH_GB1_45 CG2_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 392 470 OH_GB1_45 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 392 474 - OH_GB1_45 CB_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 392 476 - OH_GB1_45 CG2_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 392 478 + OH_GB1_45 CB_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 392 476 + OH_GB1_45 CG2_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 392 478 OH_GB1_45 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 392 482 - OH_GB1_45 CB_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 392 484 - OH_GB1_45 CG_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 392 485 - C_GB1_45 CB_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 393 398 - C_GB1_45 CG_GB1_46 1 0.000000e+00 2.609450e-06 ; 3.051692e-01 -2.609450e-06 9.041080e-01 9.082948e-01 0.004395 0.001132 True md_ensemble 4 393 399 - C_GB1_45 OD1_GB1_46 1 0.000000e+00 7.189152e-07 ; 2.740847e-01 -7.189152e-07 2.371204e-01 3.110878e-01 0.004395 0.001132 True md_ensemble 5 393 400 - C_GB1_45 OD2_GB1_46 1 0.000000e+00 7.189152e-07 ; 2.740847e-01 -7.189152e-07 2.371204e-01 3.110878e-01 0.004395 0.001132 True md_ensemble 5 393 401 - C_GB1_45 O_GB1_46 1 0.000000e+00 7.610625e-07 ; 2.753891e-01 -7.610625e-07 9.961292e-01 9.164618e-01 0.004395 0.001132 True md_ensemble 4 393 403 - C_GB1_45 N_GB1_47 1 0.000000e+00 1.467056e-06 ; 2.908700e-01 -1.467056e-06 9.999287e-01 9.726818e-01 0.004395 0.001132 True md_ensemble 4 393 404 - C_GB1_45 CA_GB1_47 1 0.000000e+00 1.143375e-05 ; 3.451523e-01 -1.143375e-05 9.824050e-01 8.584293e-01 0.004395 0.001132 True md_ensemble 5 393 406 - C_GB1_45 CB_GB1_47 1 0.000000e+00 7.300482e-06 ; 3.324867e-01 -7.300482e-06 3.880790e-02 1.914014e-01 0.004395 0.001132 True md_ensemble 6 393 407 + OH_GB1_45 CB_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 392 484 + OH_GB1_45 CG_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 392 485 + C_GB1_45 CB_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 393 398 + C_GB1_45 CG_GB1_46 1 0.000000e+00 2.609403e-06 ; 3.051688e-01 -2.609403e-06 9.041080e-01 9.082948e-01 0.004395 0.001132 True md_ensemble 4 393 399 + C_GB1_45 OD1_GB1_46 1 0.000000e+00 7.189121e-07 ; 2.740846e-01 -7.189121e-07 2.371204e-01 3.110878e-01 0.004395 0.001132 True md_ensemble 5 393 400 + C_GB1_45 OD2_GB1_46 1 0.000000e+00 7.189121e-07 ; 2.740846e-01 -7.189121e-07 2.371204e-01 3.110878e-01 0.004395 0.001132 True md_ensemble 5 393 401 + C_GB1_45 O_GB1_46 1 0.000000e+00 7.610590e-07 ; 2.753890e-01 -7.610590e-07 9.961292e-01 9.164618e-01 0.004395 0.001132 True md_ensemble 4 393 403 + C_GB1_45 N_GB1_47 1 0.000000e+00 1.467036e-06 ; 2.908696e-01 -1.467036e-06 9.999287e-01 9.726818e-01 0.004395 0.001132 True md_ensemble 4 393 404 + C_GB1_45 CA_GB1_47 1 0.000000e+00 1.143369e-05 ; 3.451521e-01 -1.143369e-05 9.824050e-01 8.584293e-01 0.004395 0.001132 True md_ensemble 5 393 406 + C_GB1_45 CB_GB1_47 1 0.000000e+00 7.300360e-06 ; 3.324862e-01 -7.300360e-06 3.880790e-02 1.914014e-01 0.004395 0.001132 True md_ensemble 6 393 407 C_GB1_45 C_GB1_47 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 0.000000e+00 1.728440e-01 0.004395 0.001132 True md_ensemble 6 393 411 - C_GB1_45 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 393 416 - C_GB1_45 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 393 422 - C_GB1_45 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 393 424 - C_GB1_45 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 393 430 - C_GB1_45 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 393 431 - C_GB1_45 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 393 432 - C_GB1_45 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 393 433 + C_GB1_45 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 393 416 + C_GB1_45 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 393 422 + C_GB1_45 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 393 424 + C_GB1_45 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 393 430 + C_GB1_45 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 393 431 + C_GB1_45 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 393 432 + C_GB1_45 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 393 433 C_GB1_45 CA_GB1_51 1 1.551125e-02 2.345065e-04 ; 4.972614e-01 2.564947e-01 1.632582e-01 8.726061e-04 0.004395 0.008482 True md_ensemble 7 393 439 - C_GB1_45 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 393 440 - C_GB1_45 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 393 442 + C_GB1_45 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 393 440 + C_GB1_45 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 393 442 C_GB1_45 C_GB1_51 1 7.864243e-03 4.585310e-05 ; 4.242469e-01 3.371981e-01 7.802501e-01 2.241546e-06 0.004395 0.011584 True md_ensemble 7 393 443 C_GB1_45 O_GB1_51 1 1.556282e-03 1.730158e-06 ; 3.218594e-01 3.499700e-01 9.994180e-01 3.980549e-04 0.004395 0.011584 True md_ensemble 7 393 444 C_GB1_45 CA_GB1_52 1 1.640089e-02 1.952322e-04 ; 4.778380e-01 3.444478e-01 8.979700e-01 5.238560e-04 0.004395 0.008482 True md_ensemble 7 393 447 - C_GB1_45 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 393 448 - C_GB1_45 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 393 460 - C_GB1_45 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 393 462 - C_GB1_45 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 393 468 - C_GB1_45 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 393 469 - C_GB1_45 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 393 470 - C_GB1_45 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 393 476 - C_GB1_45 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 393 478 - C_GB1_45 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 393 484 - C_GB1_45 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 393 485 + C_GB1_45 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 393 448 + C_GB1_45 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 393 460 + C_GB1_45 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 393 462 + C_GB1_45 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 393 468 + C_GB1_45 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 393 469 + C_GB1_45 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 393 470 + C_GB1_45 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 393 476 + C_GB1_45 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 393 478 + C_GB1_45 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 393 484 + C_GB1_45 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 393 485 O_GB1_45 O_GB1_45 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 394 394 O_GB1_45 H_GB1_46 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 394 396 - O_GB1_45 CB_GB1_46 1 0.000000e+00 2.015616e-06 ; 2.986728e-01 -2.015616e-06 1.000000e+00 9.999800e-01 0.004395 0.001132 True md_ensemble 4 394 398 - O_GB1_45 CG_GB1_46 1 0.000000e+00 8.082650e-07 ; 2.767735e-01 -8.082650e-07 3.460602e-01 3.234736e-01 0.004395 0.001132 True md_ensemble 5 394 399 + O_GB1_45 CB_GB1_46 1 0.000000e+00 2.015609e-06 ; 2.986727e-01 -2.015609e-06 1.000000e+00 9.999800e-01 0.004395 0.001132 True md_ensemble 4 394 398 + O_GB1_45 CG_GB1_46 1 0.000000e+00 8.082613e-07 ; 2.767734e-01 -8.082613e-07 3.460602e-01 3.234736e-01 0.004395 0.001132 True md_ensemble 5 394 399 O_GB1_45 OD1_GB1_46 1 0.000000e+00 1.467248e-06 ; 2.908731e-01 -1.467248e-06 3.118726e-01 2.900380e-01 0.004395 0.001132 True md_ensemble 6 394 400 O_GB1_45 OD2_GB1_46 1 0.000000e+00 1.467248e-06 ; 2.908731e-01 -1.467248e-06 3.118726e-01 2.900380e-01 0.004395 0.001132 True md_ensemble 6 394 401 - O_GB1_45 C_GB1_46 1 0.000000e+00 8.229809e-07 ; 2.771899e-01 -8.229809e-07 9.999950e-01 9.952039e-01 0.004395 0.001132 True md_ensemble 4 394 402 + O_GB1_45 C_GB1_46 1 0.000000e+00 8.229771e-07 ; 2.771898e-01 -8.229771e-07 9.999950e-01 9.952039e-01 0.004395 0.001132 True md_ensemble 4 394 402 O_GB1_45 O_GB1_46 1 0.000000e+00 2.000149e-06 ; 2.984811e-01 -2.000149e-06 5.301111e-01 8.635436e-01 0.004395 0.001132 True md_ensemble 5 394 403 O_GB1_45 N_GB1_47 1 0.000000e+00 1.365295e-06 ; 2.891327e-01 -1.365295e-06 9.877236e-01 8.979205e-01 0.004395 0.001132 True md_ensemble 5 394 404 - O_GB1_45 H_GB1_47 1 0.000000e+00 1.597518e-08 ; 1.995793e-01 -1.597518e-08 1.108757e-01 1.404563e-01 0.004395 0.001132 True md_ensemble 6 394 405 - O_GB1_45 CA_GB1_47 1 0.000000e+00 5.122963e-06 ; 3.228160e-01 -5.122963e-06 3.368283e-01 5.702387e-01 0.004395 0.001132 True md_ensemble 6 394 406 - O_GB1_45 CB_GB1_47 1 0.000000e+00 2.164056e-06 ; 3.004467e-01 -2.164056e-06 2.857432e-02 1.021979e-01 0.004395 0.007862 True md_ensemble 7 394 407 - O_GB1_45 CG_GB1_47 1 0.000000e+00 8.849307e-07 ; 2.788715e-01 -8.849307e-07 9.991227e-03 8.011433e-02 0.004395 0.011584 True md_ensemble 7 394 408 + O_GB1_45 H_GB1_47 1 0.000000e+00 1.597543e-08 ; 1.995796e-01 -1.597543e-08 1.108757e-01 1.404563e-01 0.004395 0.001132 True md_ensemble 6 394 405 + O_GB1_45 CA_GB1_47 1 0.000000e+00 5.123004e-06 ; 3.228163e-01 -5.123004e-06 3.368283e-01 5.702387e-01 0.004395 0.001132 True md_ensemble 6 394 406 + O_GB1_45 CB_GB1_47 1 0.000000e+00 2.164048e-06 ; 3.004466e-01 -2.164048e-06 2.857432e-02 1.021979e-01 0.004395 0.007862 True md_ensemble 7 394 407 + O_GB1_45 CG_GB1_47 1 0.000000e+00 8.849266e-07 ; 2.788714e-01 -8.849266e-07 9.991227e-03 8.011433e-02 0.004395 0.011584 True md_ensemble 7 394 408 O_GB1_45 OD1_GB1_47 1 0.000000e+00 1.608689e-06 ; 2.931125e-01 -1.608689e-06 4.455110e-02 1.170104e-01 0.004395 0.001132 True md_ensemble 7 394 409 O_GB1_45 OD2_GB1_47 1 0.000000e+00 1.608689e-06 ; 2.931125e-01 -1.608689e-06 4.455110e-02 1.170104e-01 0.004395 0.001132 True md_ensemble 7 394 410 O_GB1_45 O_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 394 412 @@ -42365,52 +42365,52 @@ CE2_GB1_45 CZ_GB1_52 1 1.556930e-03 1.731655e-06 ; 3.218835e-01 3.499588e- O_GB1_45 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 394 488 O_GB1_45 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 394 490 O_GB1_45 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 394 491 - N_GB1_46 CB_GB1_46 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 395 398 + N_GB1_46 CB_GB1_46 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 395 398 N_GB1_46 OD1_GB1_46 1 0.000000e+00 1.619300e-06 ; 2.932731e-01 -1.619300e-06 8.578854e-01 9.374189e-01 0.004395 0.001132 True md_ensemble 4 395 400 N_GB1_46 OD2_GB1_46 1 0.000000e+00 1.619300e-06 ; 2.932731e-01 -1.619300e-06 8.578854e-01 9.374189e-01 0.004395 0.001132 True md_ensemble 4 395 401 - N_GB1_46 CA_GB1_47 1 0.000000e+00 7.574450e-06 ; 3.335090e-01 -7.574450e-06 1.000000e+00 9.999281e-01 0.004395 0.001132 True md_ensemble 4 395 406 - N_GB1_46 CB_GB1_47 1 0.000000e+00 4.716060e-06 ; 3.205974e-01 -4.716060e-06 8.052722e-03 2.909567e-01 0.004395 0.001132 True md_ensemble 5 395 407 + N_GB1_46 CA_GB1_47 1 0.000000e+00 7.574438e-06 ; 3.335090e-01 -7.574438e-06 1.000000e+00 9.999281e-01 0.004395 0.001132 True md_ensemble 4 395 406 + N_GB1_46 CB_GB1_47 1 0.000000e+00 4.715998e-06 ; 3.205970e-01 -4.715998e-06 8.052722e-03 2.909567e-01 0.004395 0.001132 True md_ensemble 5 395 407 N_GB1_46 CG_GB1_47 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 1.092000e-05 3.469124e-02 0.004395 0.001132 True md_ensemble 6 395 408 N_GB1_46 C_GB1_47 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 0.000000e+00 9.652045e-02 0.004395 0.001132 True md_ensemble 5 395 411 N_GB1_46 O_GB1_47 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 0.000000e+00 1.467145e-01 0.004395 0.001132 True md_ensemble 6 395 412 N_GB1_46 N_GB1_48 1 0.000000e+00 8.752940e-07 ; 2.786171e-01 -8.752940e-07 0.000000e+00 7.034858e-02 0.004395 0.001132 True md_ensemble 6 395 413 - N_GB1_46 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 395 416 + N_GB1_46 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 395 416 N_GB1_46 N_GB1_49 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 2.226922e-04 0.004395 0.001132 True md_ensemble 7 395 419 - N_GB1_46 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 395 422 - N_GB1_46 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 395 424 + N_GB1_46 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 395 422 + N_GB1_46 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 395 424 N_GB1_46 N_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 5.292175e-06 0.004395 0.001132 True md_ensemble 7 395 427 N_GB1_46 CA_GB1_50 1 5.706045e-03 6.506759e-05 ; 4.744294e-01 1.250966e-01 1.278701e-02 1.172111e-03 0.004395 0.008482 True md_ensemble 7 395 429 - N_GB1_46 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 395 430 - N_GB1_46 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 395 431 - N_GB1_46 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 395 432 - N_GB1_46 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 395 433 + N_GB1_46 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 395 430 + N_GB1_46 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 395 431 + N_GB1_46 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 395 432 + N_GB1_46 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 395 433 N_GB1_46 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.274299e-03 0.004395 0.001132 True md_ensemble 7 395 434 N_GB1_46 N_GB1_51 1 4.208177e-03 1.447094e-05 ; 3.885085e-01 3.059364e-01 4.256704e-01 0.000000e+00 0.004395 0.001132 True md_ensemble 7 395 437 N_GB1_46 CA_GB1_51 1 8.114550e-03 4.706806e-05 ; 4.238807e-01 3.497378e-01 9.949309e-01 3.933349e-05 0.004395 0.008482 True md_ensemble 7 395 439 N_GB1_46 CB_GB1_51 1 1.112317e-02 9.225684e-05 ; 4.499128e-01 3.352732e-01 8.323469e-01 1.253092e-03 0.004395 0.001132 True md_ensemble 7 395 440 - N_GB1_46 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 395 442 + N_GB1_46 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 395 442 N_GB1_46 C_GB1_51 1 2.797954e-03 5.593884e-06 ; 3.549323e-01 3.498708e-01 9.974983e-01 0.000000e+00 0.004395 0.011584 True md_ensemble 7 395 443 N_GB1_46 O_GB1_51 1 3.298817e-04 7.773008e-08 ; 2.485260e-01 3.499993e-01 9.999874e-01 2.586943e-04 0.004395 0.011584 True md_ensemble 7 395 444 N_GB1_46 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 1.383297e-03 0.000000e+00 0.004395 0.001132 True md_ensemble 7 395 445 N_GB1_46 CA_GB1_52 1 1.233597e-02 1.112676e-04 ; 4.562462e-01 3.419149e-01 8.549476e-01 1.982797e-04 0.004395 0.008482 True md_ensemble 7 395 447 - N_GB1_46 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 395 448 + N_GB1_46 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 395 448 N_GB1_46 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 395 457 - N_GB1_46 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 395 460 - N_GB1_46 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 395 462 + N_GB1_46 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 395 460 + N_GB1_46 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 395 462 N_GB1_46 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 395 465 - N_GB1_46 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 395 468 - N_GB1_46 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 395 469 - N_GB1_46 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 395 470 + N_GB1_46 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 395 468 + N_GB1_46 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 395 469 + N_GB1_46 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 395 470 N_GB1_46 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 395 473 - N_GB1_46 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 395 476 - N_GB1_46 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 395 478 + N_GB1_46 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 395 476 + N_GB1_46 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 395 478 N_GB1_46 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 395 481 - N_GB1_46 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 395 484 - N_GB1_46 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 395 485 + N_GB1_46 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 395 484 + N_GB1_46 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 395 485 H_GB1_46 H_GB1_46 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 396 396 - H_GB1_46 OD1_GB1_46 1 0.000000e+00 1.469395e-08 ; 1.981937e-01 -1.469395e-08 7.541157e-03 1.774231e-01 0.004395 0.001132 True md_ensemble 5 396 400 - H_GB1_46 OD2_GB1_46 1 0.000000e+00 1.469395e-08 ; 1.981937e-01 -1.469395e-08 7.541157e-03 1.774231e-01 0.004395 0.001132 True md_ensemble 5 396 401 - H_GB1_46 O_GB1_46 1 0.000000e+00 6.099963e-09 ; 1.841926e-01 -6.099963e-09 9.650780e-01 3.582131e-01 0.004395 0.001132 True md_ensemble 4 396 403 + H_GB1_46 OD1_GB1_46 1 0.000000e+00 1.469418e-08 ; 1.981940e-01 -1.469418e-08 7.541157e-03 1.774231e-01 0.004395 0.001132 True md_ensemble 5 396 400 + H_GB1_46 OD2_GB1_46 1 0.000000e+00 1.469418e-08 ; 1.981940e-01 -1.469418e-08 7.541157e-03 1.774231e-01 0.004395 0.001132 True md_ensemble 5 396 401 + H_GB1_46 O_GB1_46 1 0.000000e+00 6.100059e-09 ; 1.841929e-01 -6.100059e-09 9.650780e-01 3.582131e-01 0.004395 0.001132 True md_ensemble 4 396 403 H_GB1_46 H_GB1_47 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 396 405 H_GB1_46 OD1_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 396 409 H_GB1_46 OD2_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 396 410 @@ -42440,21 +42440,21 @@ CE2_GB1_45 CZ_GB1_52 1 1.556930e-03 1.731655e-06 ; 3.218835e-01 3.499588e- H_GB1_46 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 396 488 H_GB1_46 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 396 490 H_GB1_46 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 396 491 - CA_GB1_46 CB_GB1_47 1 0.000000e+00 3.181365e-05 ; 3.758773e-01 -3.181365e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 397 407 - CA_GB1_46 CG_GB1_47 1 0.000000e+00 2.036064e-05 ; 3.621548e-01 -2.036064e-05 1.450886e-01 7.050677e-01 0.004395 0.001132 True md_ensemble 5 397 408 - CA_GB1_46 OD1_GB1_47 1 0.000000e+00 3.930317e-06 ; 3.157650e-01 -3.930317e-06 6.487271e-02 2.338412e-01 0.004395 0.001132 True md_ensemble 6 397 409 - CA_GB1_46 OD2_GB1_47 1 0.000000e+00 3.930317e-06 ; 3.157650e-01 -3.930317e-06 6.487271e-02 2.338412e-01 0.004395 0.001132 True md_ensemble 6 397 410 - CA_GB1_46 C_GB1_47 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 397 411 + CA_GB1_46 CB_GB1_47 1 0.000000e+00 3.181352e-05 ; 3.758772e-01 -3.181352e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 397 407 + CA_GB1_46 CG_GB1_47 1 0.000000e+00 2.036053e-05 ; 3.621547e-01 -2.036053e-05 1.450886e-01 7.050677e-01 0.004395 0.001132 True md_ensemble 5 397 408 + CA_GB1_46 OD1_GB1_47 1 0.000000e+00 3.930349e-06 ; 3.157652e-01 -3.930349e-06 6.487271e-02 2.338412e-01 0.004395 0.001132 True md_ensemble 6 397 409 + CA_GB1_46 OD2_GB1_47 1 0.000000e+00 3.930349e-06 ; 3.157652e-01 -3.930349e-06 6.487271e-02 2.338412e-01 0.004395 0.001132 True md_ensemble 6 397 410 + CA_GB1_46 C_GB1_47 1 0.000000e+00 1.305180e-05 ; 3.489803e-01 -1.305180e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 397 411 CA_GB1_46 O_GB1_47 1 0.000000e+00 4.153495e-06 ; 3.172216e-01 -4.153495e-06 2.086170e-03 5.263014e-01 0.004395 0.001132 True md_ensemble 5 397 412 - CA_GB1_46 N_GB1_48 1 0.000000e+00 4.449971e-06 ; 3.190495e-01 -4.449971e-06 9.999986e-01 5.874539e-01 0.004395 0.001132 True md_ensemble 5 397 413 - CA_GB1_46 CA_GB1_48 1 0.000000e+00 3.806788e-05 ; 3.815413e-01 -3.806788e-05 9.999124e-01 5.806072e-01 0.004395 0.001132 True md_ensemble 6 397 415 + CA_GB1_46 N_GB1_48 1 0.000000e+00 4.449964e-06 ; 3.190495e-01 -4.449964e-06 9.999986e-01 5.874539e-01 0.004395 0.001132 True md_ensemble 5 397 413 + CA_GB1_46 CA_GB1_48 1 0.000000e+00 3.806816e-05 ; 3.815415e-01 -3.806816e-05 9.999124e-01 5.806072e-01 0.004395 0.001132 True md_ensemble 6 397 415 CA_GB1_46 CB_GB1_48 1 1.136785e-02 1.838138e-04 ; 5.028633e-01 1.757594e-01 6.419393e-01 2.023041e-01 0.004395 0.010759 True md_ensemble 7 397 416 CA_GB1_46 C_GB1_48 1 7.948769e-03 1.199565e-04 ; 4.971117e-01 1.316789e-01 9.919778e-02 5.792207e-02 0.004395 0.008482 True md_ensemble 7 397 417 CA_GB1_46 N_GB1_49 1 7.245903e-03 6.065958e-05 ; 4.506103e-01 2.163842e-01 9.092280e-01 1.027947e-01 0.004395 0.008482 True md_ensemble 7 397 419 CA_GB1_46 CA_GB1_49 1 1.487634e-02 2.990149e-04 ; 5.214341e-01 1.850289e-01 9.908946e-01 1.570620e-01 0.004395 0.006476 True md_ensemble 7 397 421 CA_GB1_46 CB_GB1_49 1 1.312635e-02 2.441377e-04 ; 5.147328e-01 1.764384e-01 9.735375e-01 1.822682e-01 0.004395 0.006476 True md_ensemble 7 397 422 CA_GB1_46 OG1_GB1_49 1 4.047995e-03 1.933936e-05 ; 4.103934e-01 2.118253e-01 8.956204e-01 1.106116e-01 0.004395 0.008483 True md_ensemble 7 397 423 - CA_GB1_46 CG2_GB1_49 1 0.000000e+00 2.559650e-05 ; 3.691278e-01 -2.559650e-05 3.369843e-02 1.119948e-01 0.004395 0.010759 True md_ensemble 7 397 424 + CA_GB1_46 CG2_GB1_49 1 0.000000e+00 2.559649e-05 ; 3.691278e-01 -2.559649e-05 3.369843e-02 1.119948e-01 0.004395 0.010759 True md_ensemble 7 397 424 CA_GB1_46 C_GB1_49 1 1.065426e-02 1.604730e-04 ; 4.969504e-01 1.768418e-01 6.572639e-02 1.599194e-02 0.004395 0.008482 True md_ensemble 7 397 425 CA_GB1_46 N_GB1_50 1 1.245941e-02 1.139090e-04 ; 4.572743e-01 3.407037e-01 8.351113e-01 6.537415e-03 0.004395 0.008482 True md_ensemble 7 397 427 CA_GB1_46 CA_GB1_50 1 1.822597e-02 2.890759e-04 ; 5.012490e-01 2.872827e-01 9.997705e-01 2.183605e-02 0.004395 0.006476 True md_ensemble 7 397 429 @@ -42467,23 +42467,23 @@ CE2_GB1_45 CZ_GB1_52 1 1.556930e-03 1.731655e-06 ; 3.218835e-01 3.499588e- CA_GB1_46 C_GB1_51 1 8.513694e-03 5.179167e-05 ; 4.272581e-01 3.498777e-01 9.976320e-01 5.998512e-04 0.004395 0.008482 True md_ensemble 7 397 443 CA_GB1_46 O_GB1_51 1 1.868397e-03 2.493676e-06 ; 3.318143e-01 3.499760e-01 9.995356e-01 1.162430e-03 0.004395 0.008483 True md_ensemble 7 397 444 CA_GB1_46 CA_GB1_52 1 4.049432e-02 1.249150e-03 ; 5.600198e-01 3.281812e-01 6.551342e-01 3.586146e-03 0.004395 0.006476 True md_ensemble 7 397 447 - CB_GB1_46 CG_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 399 - CB_GB1_46 OD1_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 400 - CB_GB1_46 OD2_GB1_46 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 401 - CB_GB1_46 C_GB1_46 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 402 + CB_GB1_46 CG_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 399 + CB_GB1_46 OD1_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 400 + CB_GB1_46 OD2_GB1_46 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 401 + CB_GB1_46 C_GB1_46 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 402 CB_GB1_46 O_GB1_46 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 403 - CB_GB1_46 N_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 404 - CB_GB1_46 CA_GB1_47 1 0.000000e+00 3.181363e-05 ; 3.758773e-01 -3.181363e-05 9.999917e-01 9.999910e-01 0.004395 0.001132 True md_ensemble 4 398 406 - CB_GB1_46 CB_GB1_47 1 0.000000e+00 2.472699e-05 ; 3.680662e-01 -2.472699e-05 4.917746e-02 6.507805e-01 0.004395 0.001132 True md_ensemble 5 398 407 - CB_GB1_46 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 408 - CB_GB1_46 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 409 - CB_GB1_46 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 410 - CB_GB1_46 C_GB1_47 1 0.000000e+00 3.983990e-06 ; 3.161221e-01 -3.983990e-06 8.274853e-01 4.564740e-01 0.004395 0.001132 True md_ensemble 5 398 411 + CB_GB1_46 N_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 404 + CB_GB1_46 CA_GB1_47 1 0.000000e+00 3.181350e-05 ; 3.758772e-01 -3.181350e-05 9.999917e-01 9.999910e-01 0.004395 0.001132 True md_ensemble 4 398 406 + CB_GB1_46 CB_GB1_47 1 0.000000e+00 2.472660e-05 ; 3.680657e-01 -2.472660e-05 4.917746e-02 6.507805e-01 0.004395 0.001132 True md_ensemble 5 398 407 + CB_GB1_46 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 408 + CB_GB1_46 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 409 + CB_GB1_46 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 410 + CB_GB1_46 C_GB1_47 1 0.000000e+00 3.983923e-06 ; 3.161217e-01 -3.983923e-06 8.274853e-01 4.564740e-01 0.004395 0.001132 True md_ensemble 5 398 411 CB_GB1_46 O_GB1_47 1 0.000000e+00 2.015656e-06 ; 2.986733e-01 -2.015656e-06 0.000000e+00 1.600233e-01 0.004395 0.001132 True md_ensemble 6 398 412 CB_GB1_46 N_GB1_48 1 1.488537e-03 7.028367e-06 ; 4.095898e-01 7.881428e-02 9.290556e-01 2.016439e-01 0.004395 0.001132 True md_ensemble 6 398 413 CB_GB1_46 CA_GB1_48 1 9.124220e-03 1.213605e-04 ; 4.867586e-01 1.714961e-01 9.643470e-01 2.183450e-01 0.004395 0.007117 True md_ensemble 7 398 415 CB_GB1_46 CB_GB1_48 1 8.376090e-03 8.770347e-05 ; 4.677307e-01 1.999889e-01 5.368722e-01 1.194758e-01 0.004395 0.012151 True md_ensemble 7 398 416 - CB_GB1_46 C_GB1_48 1 0.000000e+00 6.016641e-06 ; 3.271708e-01 -6.016641e-06 1.042758e-01 5.417768e-02 0.004395 0.001132 True md_ensemble 7 398 417 + CB_GB1_46 C_GB1_48 1 0.000000e+00 6.016541e-06 ; 3.271703e-01 -6.016541e-06 1.042758e-01 5.417768e-02 0.004395 0.001132 True md_ensemble 7 398 417 CB_GB1_46 O_GB1_48 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.959810e-02 0.004395 0.007862 True md_ensemble 7 398 418 CB_GB1_46 N_GB1_49 1 2.570448e-03 1.138135e-05 ; 4.052262e-01 1.451322e-01 9.259608e-01 5.557418e-02 0.004395 0.001132 True md_ensemble 7 398 419 CB_GB1_46 CA_GB1_49 1 8.273068e-03 7.884668e-05 ; 4.604539e-01 2.170150e-01 9.918515e-01 9.293498e-02 0.004395 0.007117 True md_ensemble 7 398 421 @@ -42494,7 +42494,7 @@ CE2_GB1_45 CZ_GB1_52 1 1.556930e-03 1.731655e-06 ; 3.218835e-01 3.499588e- CB_GB1_46 O_GB1_49 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 4.380500e-05 1.430867e-02 0.004395 0.007862 True md_ensemble 7 398 426 CB_GB1_46 N_GB1_50 1 5.879085e-03 3.654190e-05 ; 4.287922e-01 2.364658e-01 3.967317e-01 4.054467e-03 0.004395 0.001132 True md_ensemble 7 398 427 CB_GB1_46 CA_GB1_50 1 2.091932e-02 3.599771e-04 ; 5.081063e-01 3.039207e-01 8.442472e-01 1.467684e-02 0.004395 0.007117 True md_ensemble 7 398 429 - CB_GB1_46 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 434 + CB_GB1_46 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 434 CB_GB1_46 C_GB1_50 1 7.177181e-03 7.030273e-05 ; 4.625617e-01 1.831790e-01 7.422090e-02 2.130738e-03 0.004395 0.001132 True md_ensemble 7 398 435 CB_GB1_46 O_GB1_50 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.589911e-03 0.004395 0.007862 True md_ensemble 7 398 436 CB_GB1_46 N_GB1_51 1 5.317341e-03 2.036480e-05 ; 3.955466e-01 3.470954e-01 9.452560e-01 8.518358e-04 0.004395 0.001132 True md_ensemble 7 398 437 @@ -42504,32 +42504,32 @@ CE2_GB1_45 CZ_GB1_52 1 1.556930e-03 1.731655e-06 ; 3.218835e-01 3.499588e- CB_GB1_46 CG2_GB1_51 1 1.348083e-02 1.509989e-04 ; 4.730164e-01 3.008840e-01 4.358759e-01 1.372269e-02 0.004395 0.012151 True md_ensemble 7 398 442 CB_GB1_46 C_GB1_51 1 6.948854e-03 3.591560e-05 ; 4.158100e-01 3.361115e-01 9.708448e-01 1.438043e-03 0.004395 0.001132 True md_ensemble 7 398 443 CB_GB1_46 O_GB1_51 1 1.670023e-03 1.992875e-06 ; 3.256814e-01 3.498684e-01 9.974533e-01 2.198452e-03 0.004395 0.007862 True md_ensemble 7 398 444 - CB_GB1_46 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 445 + CB_GB1_46 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 445 CB_GB1_46 CA_GB1_52 1 1.641277e-02 3.928817e-04 ; 5.368422e-01 1.714123e-01 3.138001e-02 5.618608e-03 0.004395 0.007117 True md_ensemble 7 398 447 - CB_GB1_46 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 455 + CB_GB1_46 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 455 CB_GB1_46 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.953287e-04 0.004395 0.007862 True md_ensemble 7 398 456 - CB_GB1_46 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 457 - CB_GB1_46 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 461 - CB_GB1_46 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 463 + CB_GB1_46 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 457 + CB_GB1_46 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 461 + CB_GB1_46 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 463 CB_GB1_46 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.000431e-04 0.004395 0.007862 True md_ensemble 7 398 464 - CB_GB1_46 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 465 - CB_GB1_46 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 471 + CB_GB1_46 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 465 + CB_GB1_46 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 471 CB_GB1_46 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.143984e-04 0.004395 0.007862 True md_ensemble 7 398 472 - CB_GB1_46 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 473 - CB_GB1_46 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 477 - CB_GB1_46 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 479 + CB_GB1_46 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 473 + CB_GB1_46 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 477 + CB_GB1_46 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 479 CB_GB1_46 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.974651e-04 0.004395 0.007862 True md_ensemble 7 398 480 - CB_GB1_46 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 481 - CB_GB1_46 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 486 - CB_GB1_46 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 487 - CB_GB1_46 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 488 - CB_GB1_46 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 489 - CB_GB1_46 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 490 - CB_GB1_46 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 491 - CG_GB1_46 O_GB1_46 1 0.000000e+00 5.439467e-07 ; 2.677882e-01 -5.439467e-07 9.418222e-01 5.996025e-01 0.004395 0.001132 True md_ensemble 4 399 403 - CG_GB1_46 N_GB1_47 1 0.000000e+00 1.415887e-06 ; 2.900107e-01 -1.415887e-06 8.216756e-01 7.605002e-01 0.004395 0.001132 True md_ensemble 4 399 404 - CG_GB1_46 CA_GB1_47 1 0.000000e+00 9.463171e-06 ; 3.397541e-01 -9.463171e-06 6.462069e-01 3.712505e-01 0.004395 0.001132 True md_ensemble 5 399 406 - CG_GB1_46 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 399 407 + CB_GB1_46 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 481 + CB_GB1_46 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 486 + CB_GB1_46 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 487 + CB_GB1_46 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 488 + CB_GB1_46 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 489 + CB_GB1_46 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 490 + CB_GB1_46 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 398 491 + CG_GB1_46 O_GB1_46 1 0.000000e+00 5.439442e-07 ; 2.677881e-01 -5.439442e-07 9.418222e-01 5.996025e-01 0.004395 0.001132 True md_ensemble 4 399 403 + CG_GB1_46 N_GB1_47 1 0.000000e+00 1.415867e-06 ; 2.900104e-01 -1.415867e-06 8.216756e-01 7.605002e-01 0.004395 0.001132 True md_ensemble 4 399 404 + CG_GB1_46 CA_GB1_47 1 0.000000e+00 9.463122e-06 ; 3.397540e-01 -9.463122e-06 6.462069e-01 3.712505e-01 0.004395 0.001132 True md_ensemble 5 399 406 + CG_GB1_46 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 399 407 CG_GB1_46 C_GB1_47 1 1.692932e-03 8.354433e-06 ; 4.126162e-01 8.576339e-02 4.844449e-01 9.189466e-02 0.004395 0.001132 True md_ensemble 6 399 411 CG_GB1_46 N_GB1_48 1 1.294472e-03 1.721928e-06 ; 3.316299e-01 2.432822e-01 6.389843e-01 5.857218e-02 0.004395 0.011584 True md_ensemble 7 399 413 CG_GB1_46 CA_GB1_48 1 3.078620e-03 1.096221e-05 ; 3.907722e-01 2.161493e-01 6.446077e-01 7.320946e-02 0.004395 0.008482 True md_ensemble 7 399 415 @@ -42543,33 +42543,33 @@ CE2_GB1_45 CZ_GB1_52 1 1.556930e-03 1.731655e-06 ; 3.218835e-01 3.499588e- CG_GB1_46 C_GB1_49 1 3.804633e-03 2.427145e-05 ; 4.306560e-01 1.490973e-01 2.036134e-02 2.719581e-03 0.004395 0.011584 True md_ensemble 7 399 425 CG_GB1_46 N_GB1_50 1 2.979518e-03 1.414095e-05 ; 4.099417e-01 1.569472e-01 2.370752e-02 8.009209e-04 0.004395 0.011584 True md_ensemble 7 399 427 CG_GB1_46 CA_GB1_50 1 7.592339e-03 1.121185e-04 ; 4.953174e-01 1.285328e-01 1.366768e-02 5.971772e-03 0.004395 0.008482 True md_ensemble 7 399 429 - CG_GB1_46 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 399 430 - CG_GB1_46 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 399 431 - CG_GB1_46 CD_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 399 432 - CG_GB1_46 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 399 433 + CG_GB1_46 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 399 430 + CG_GB1_46 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 399 431 + CG_GB1_46 CD_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 399 432 + CG_GB1_46 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 399 433 CG_GB1_46 CA_GB1_51 1 1.393386e-02 1.858037e-04 ; 4.869643e-01 2.612333e-01 1.789632e-01 4.401395e-03 0.004395 0.008482 True md_ensemble 7 399 439 CG_GB1_46 CB_GB1_51 1 8.020113e-03 7.596680e-05 ; 4.599817e-01 2.116787e-01 6.930043e-01 1.145064e-02 0.004395 0.001132 True md_ensemble 7 399 440 - CG_GB1_46 CG2_GB1_51 1 0.000000e+00 4.731069e-06 ; 3.206823e-01 -4.731069e-06 8.563735e-03 9.611912e-03 0.004395 0.001132 True md_ensemble 7 399 442 + CG_GB1_46 CG2_GB1_51 1 0.000000e+00 4.731008e-06 ; 3.206819e-01 -4.731008e-06 8.563735e-03 9.611912e-03 0.004395 0.001132 True md_ensemble 7 399 442 CG_GB1_46 C_GB1_51 1 2.391381e-03 1.502780e-05 ; 4.295771e-01 9.513535e-02 7.154112e-03 7.053945e-04 0.004395 0.011584 True md_ensemble 7 399 443 CG_GB1_46 O_GB1_51 1 2.789245e-03 7.539071e-06 ; 3.732260e-01 2.579856e-01 1.680447e-01 1.574869e-03 0.004395 0.011584 True md_ensemble 7 399 444 - CG_GB1_46 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 399 448 - CG_GB1_46 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 399 460 - CG_GB1_46 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 399 462 - CG_GB1_46 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 399 468 - CG_GB1_46 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 399 469 - CG_GB1_46 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 399 470 - CG_GB1_46 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 399 476 - CG_GB1_46 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 399 478 - CG_GB1_46 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 399 484 - CG_GB1_46 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 399 485 + CG_GB1_46 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 399 448 + CG_GB1_46 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 399 460 + CG_GB1_46 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 399 462 + CG_GB1_46 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 399 468 + CG_GB1_46 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 399 469 + CG_GB1_46 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 399 470 + CG_GB1_46 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 399 476 + CG_GB1_46 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 399 478 + CG_GB1_46 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 399 484 + CG_GB1_46 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 399 485 OD1_GB1_46 OD1_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 400 400 OD1_GB1_46 OD2_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 400 401 -OD1_GB1_46 C_GB1_46 1 0.000000e+00 4.886837e-07 ; 2.654080e-01 -4.886837e-07 7.785235e-01 5.085545e-01 0.004395 0.001132 True md_ensemble 4 400 402 +OD1_GB1_46 C_GB1_46 1 0.000000e+00 4.886816e-07 ; 2.654079e-01 -4.886816e-07 7.785235e-01 5.085545e-01 0.004395 0.001132 True md_ensemble 4 400 402 OD1_GB1_46 O_GB1_46 1 0.000000e+00 1.092729e-06 ; 2.838165e-01 -1.092729e-06 6.132104e-01 3.416963e-01 0.004395 0.001132 True md_ensemble 5 400 403 OD1_GB1_46 N_GB1_47 1 0.000000e+00 1.089148e-06 ; 2.837389e-01 -1.089148e-06 5.940792e-01 3.201781e-01 0.004395 0.001132 True md_ensemble 5 400 404 -OD1_GB1_46 H_GB1_47 1 0.000000e+00 1.229461e-08 ; 1.952711e-01 -1.229461e-08 5.798258e-02 3.683764e-02 0.004395 0.001132 True md_ensemble 6 400 405 -OD1_GB1_46 CA_GB1_47 1 0.000000e+00 2.713795e-06 ; 3.061680e-01 -2.713795e-06 3.288884e-01 1.360347e-01 0.004395 0.001132 True md_ensemble 6 400 406 -OD1_GB1_46 CB_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 400 407 +OD1_GB1_46 H_GB1_47 1 0.000000e+00 1.229481e-08 ; 1.952713e-01 -1.229481e-08 5.798258e-02 3.683764e-02 0.004395 0.001132 True md_ensemble 6 400 405 +OD1_GB1_46 CA_GB1_47 1 0.000000e+00 2.713817e-06 ; 3.061682e-01 -2.713817e-06 3.288884e-01 1.360347e-01 0.004395 0.001132 True md_ensemble 6 400 406 +OD1_GB1_46 CB_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 400 407 OD1_GB1_46 OD1_GB1_47 1 0.000000e+00 1.519884e-06 ; 2.917287e-01 -1.519884e-06 9.031695e-03 2.228774e-02 0.004395 0.001132 True md_ensemble 7 400 409 OD1_GB1_46 OD2_GB1_47 1 0.000000e+00 1.519884e-06 ; 2.917287e-01 -1.519884e-06 9.031695e-03 2.228774e-02 0.004395 0.001132 True md_ensemble 7 400 410 OD1_GB1_46 C_GB1_47 1 1.676440e-03 3.672371e-06 ; 3.603792e-01 1.913241e-01 1.318204e-01 3.308044e-02 0.004395 0.011584 True md_ensemble 7 400 411 @@ -42590,10 +42590,10 @@ OD1_GB1_46 C_GB1_49 1 2.253719e-03 6.780882e-06 ; 3.799540e-01 1.872636e- OD1_GB1_46 O_GB1_49 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 400 426 OD1_GB1_46 N_GB1_50 1 3.504042e-03 1.209575e-05 ; 3.887561e-01 2.537732e-01 1.548694e-01 1.276227e-03 0.004395 0.011584 True md_ensemble 7 400 427 OD1_GB1_46 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 400 428 -OD1_GB1_46 CB_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 400 430 -OD1_GB1_46 CG_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 400 431 -OD1_GB1_46 CD_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 400 432 -OD1_GB1_46 CE_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 400 433 +OD1_GB1_46 CB_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 400 430 +OD1_GB1_46 CG_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 400 431 +OD1_GB1_46 CD_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 400 432 +OD1_GB1_46 CE_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 400 433 OD1_GB1_46 O_GB1_50 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 400 436 OD1_GB1_46 N_GB1_51 1 1.865975e-03 8.736938e-06 ; 4.090178e-01 9.963049e-02 7.805410e-03 1.960100e-03 0.004395 0.011584 True md_ensemble 7 400 437 OD1_GB1_46 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 400 438 @@ -42602,35 +42602,35 @@ OD1_GB1_46 CB_GB1_51 1 2.002343e-03 6.320913e-06 ; 3.830072e-01 1.585759e- OD1_GB1_46 CG2_GB1_51 1 0.000000e+00 1.211161e-06 ; 2.862608e-01 -1.211161e-06 1.122950e-02 6.051038e-03 0.004395 0.001132 True md_ensemble 7 400 442 OD1_GB1_46 O_GB1_51 1 1.615435e-03 3.284118e-06 ; 3.559221e-01 1.986552e-01 1.554243e-01 3.305553e-03 0.004395 0.001132 True md_ensemble 7 400 444 OD1_GB1_46 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 400 446 -OD1_GB1_46 CB_GB1_52 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 400 448 +OD1_GB1_46 CB_GB1_52 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 400 448 OD1_GB1_46 O_GB1_52 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 400 456 OD1_GB1_46 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 400 458 -OD1_GB1_46 CB_GB1_53 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 400 460 +OD1_GB1_46 CB_GB1_53 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 400 460 OD1_GB1_46 CG2_GB1_53 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 400 462 OD1_GB1_46 O_GB1_53 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 400 464 OD1_GB1_46 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 400 466 -OD1_GB1_46 CB_GB1_54 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 400 468 +OD1_GB1_46 CB_GB1_54 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 400 468 OD1_GB1_46 CG1_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 400 469 OD1_GB1_46 CG2_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 400 470 OD1_GB1_46 O_GB1_54 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 400 472 OD1_GB1_46 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 400 474 -OD1_GB1_46 CB_GB1_55 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 400 476 +OD1_GB1_46 CB_GB1_55 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 400 476 OD1_GB1_46 CG2_GB1_55 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 400 478 OD1_GB1_46 O_GB1_55 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 400 480 OD1_GB1_46 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 400 482 -OD1_GB1_46 CB_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 400 484 -OD1_GB1_46 CG_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 400 485 +OD1_GB1_46 CB_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 400 484 +OD1_GB1_46 CG_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 400 485 OD1_GB1_46 OE1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 400 487 OD1_GB1_46 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 400 488 OD1_GB1_46 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 400 490 OD1_GB1_46 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 400 491 OD2_GB1_46 OD2_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 401 401 -OD2_GB1_46 C_GB1_46 1 0.000000e+00 4.886837e-07 ; 2.654080e-01 -4.886837e-07 7.785235e-01 5.085545e-01 0.004395 0.001132 True md_ensemble 4 401 402 +OD2_GB1_46 C_GB1_46 1 0.000000e+00 4.886816e-07 ; 2.654079e-01 -4.886816e-07 7.785235e-01 5.085545e-01 0.004395 0.001132 True md_ensemble 4 401 402 OD2_GB1_46 O_GB1_46 1 0.000000e+00 1.092729e-06 ; 2.838165e-01 -1.092729e-06 6.132104e-01 3.416963e-01 0.004395 0.001132 True md_ensemble 5 401 403 OD2_GB1_46 N_GB1_47 1 0.000000e+00 1.089148e-06 ; 2.837389e-01 -1.089148e-06 5.940792e-01 3.201781e-01 0.004395 0.001132 True md_ensemble 5 401 404 -OD2_GB1_46 H_GB1_47 1 0.000000e+00 1.229461e-08 ; 1.952711e-01 -1.229461e-08 5.798258e-02 3.683764e-02 0.004395 0.001132 True md_ensemble 6 401 405 -OD2_GB1_46 CA_GB1_47 1 0.000000e+00 2.713795e-06 ; 3.061680e-01 -2.713795e-06 3.288884e-01 1.360347e-01 0.004395 0.001132 True md_ensemble 6 401 406 -OD2_GB1_46 CB_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 401 407 +OD2_GB1_46 H_GB1_47 1 0.000000e+00 1.229481e-08 ; 1.952713e-01 -1.229481e-08 5.798258e-02 3.683764e-02 0.004395 0.001132 True md_ensemble 6 401 405 +OD2_GB1_46 CA_GB1_47 1 0.000000e+00 2.713817e-06 ; 3.061682e-01 -2.713817e-06 3.288884e-01 1.360347e-01 0.004395 0.001132 True md_ensemble 6 401 406 +OD2_GB1_46 CB_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 401 407 OD2_GB1_46 OD1_GB1_47 1 0.000000e+00 1.519884e-06 ; 2.917287e-01 -1.519884e-06 9.031695e-03 2.228774e-02 0.004395 0.001132 True md_ensemble 7 401 409 OD2_GB1_46 OD2_GB1_47 1 0.000000e+00 1.519884e-06 ; 2.917287e-01 -1.519884e-06 9.031695e-03 2.228774e-02 0.004395 0.001132 True md_ensemble 7 401 410 OD2_GB1_46 C_GB1_47 1 1.676440e-03 3.672371e-06 ; 3.603792e-01 1.913241e-01 1.318204e-01 3.308044e-02 0.004395 0.011584 True md_ensemble 7 401 411 @@ -42651,10 +42651,10 @@ OD2_GB1_46 C_GB1_49 1 2.253719e-03 6.780882e-06 ; 3.799540e-01 1.872636e- OD2_GB1_46 O_GB1_49 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 401 426 OD2_GB1_46 N_GB1_50 1 3.504042e-03 1.209575e-05 ; 3.887561e-01 2.537732e-01 1.548694e-01 1.276227e-03 0.004395 0.011584 True md_ensemble 7 401 427 OD2_GB1_46 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 401 428 -OD2_GB1_46 CB_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 401 430 -OD2_GB1_46 CG_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 401 431 -OD2_GB1_46 CD_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 401 432 -OD2_GB1_46 CE_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 401 433 +OD2_GB1_46 CB_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 401 430 +OD2_GB1_46 CG_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 401 431 +OD2_GB1_46 CD_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 401 432 +OD2_GB1_46 CE_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 401 433 OD2_GB1_46 O_GB1_50 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 401 436 OD2_GB1_46 N_GB1_51 1 1.865975e-03 8.736938e-06 ; 4.090178e-01 9.963049e-02 7.805410e-03 1.960100e-03 0.004395 0.011584 True md_ensemble 7 401 437 OD2_GB1_46 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 401 438 @@ -42663,77 +42663,77 @@ OD2_GB1_46 CB_GB1_51 1 2.002343e-03 6.320913e-06 ; 3.830072e-01 1.585759e- OD2_GB1_46 CG2_GB1_51 1 0.000000e+00 1.211161e-06 ; 2.862608e-01 -1.211161e-06 1.122950e-02 6.051038e-03 0.004395 0.001132 True md_ensemble 7 401 442 OD2_GB1_46 O_GB1_51 1 1.615435e-03 3.284118e-06 ; 3.559221e-01 1.986552e-01 1.554243e-01 3.305553e-03 0.004395 0.001132 True md_ensemble 7 401 444 OD2_GB1_46 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 401 446 -OD2_GB1_46 CB_GB1_52 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 401 448 +OD2_GB1_46 CB_GB1_52 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 401 448 OD2_GB1_46 O_GB1_52 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 401 456 OD2_GB1_46 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 401 458 -OD2_GB1_46 CB_GB1_53 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 401 460 +OD2_GB1_46 CB_GB1_53 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 401 460 OD2_GB1_46 CG2_GB1_53 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 401 462 OD2_GB1_46 O_GB1_53 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 401 464 OD2_GB1_46 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 401 466 -OD2_GB1_46 CB_GB1_54 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 401 468 +OD2_GB1_46 CB_GB1_54 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 401 468 OD2_GB1_46 CG1_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 401 469 OD2_GB1_46 CG2_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 401 470 OD2_GB1_46 O_GB1_54 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 401 472 OD2_GB1_46 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 401 474 -OD2_GB1_46 CB_GB1_55 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 401 476 +OD2_GB1_46 CB_GB1_55 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 401 476 OD2_GB1_46 CG2_GB1_55 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 401 478 OD2_GB1_46 O_GB1_55 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 401 480 OD2_GB1_46 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 401 482 -OD2_GB1_46 CB_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 401 484 -OD2_GB1_46 CG_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 401 485 +OD2_GB1_46 CB_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 401 484 +OD2_GB1_46 CG_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 401 485 OD2_GB1_46 OE1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 401 487 OD2_GB1_46 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 401 488 OD2_GB1_46 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 401 490 OD2_GB1_46 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 401 491 - C_GB1_46 CB_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 402 407 - C_GB1_46 CG_GB1_47 1 0.000000e+00 3.080083e-06 ; 3.094154e-01 -3.080083e-06 7.355189e-01 9.208180e-01 0.004395 0.001132 True md_ensemble 4 402 408 - C_GB1_46 OD1_GB1_47 1 0.000000e+00 8.436578e-07 ; 2.777637e-01 -8.436578e-07 6.260277e-02 3.229196e-01 0.004395 0.001132 True md_ensemble 5 402 409 - C_GB1_46 OD2_GB1_47 1 0.000000e+00 8.436578e-07 ; 2.777637e-01 -8.436578e-07 6.260277e-02 3.229196e-01 0.004395 0.001132 True md_ensemble 5 402 410 - C_GB1_46 O_GB1_47 1 0.000000e+00 7.587581e-07 ; 2.753195e-01 -7.587581e-07 9.801541e-01 8.977001e-01 0.004395 0.001132 True md_ensemble 4 402 412 - C_GB1_46 N_GB1_48 1 0.000000e+00 1.467058e-06 ; 2.908700e-01 -1.467058e-06 1.000000e+00 9.727543e-01 0.004395 0.001132 True md_ensemble 4 402 413 - C_GB1_46 CA_GB1_48 1 0.000000e+00 1.113713e-05 ; 3.443971e-01 -1.113713e-05 1.000000e+00 8.532979e-01 0.004395 0.001132 True md_ensemble 5 402 415 - C_GB1_46 CB_GB1_48 1 0.000000e+00 3.406873e-06 ; 3.120264e-01 -3.406873e-06 4.918256e-01 2.126867e-01 0.004395 0.001132 True md_ensemble 6 402 416 + C_GB1_46 CB_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 402 407 + C_GB1_46 CG_GB1_47 1 0.000000e+00 3.080028e-06 ; 3.094149e-01 -3.080028e-06 7.355189e-01 9.208180e-01 0.004395 0.001132 True md_ensemble 4 402 408 + C_GB1_46 OD1_GB1_47 1 0.000000e+00 8.436541e-07 ; 2.777636e-01 -8.436541e-07 6.260277e-02 3.229196e-01 0.004395 0.001132 True md_ensemble 5 402 409 + C_GB1_46 OD2_GB1_47 1 0.000000e+00 8.436541e-07 ; 2.777636e-01 -8.436541e-07 6.260277e-02 3.229196e-01 0.004395 0.001132 True md_ensemble 5 402 410 + C_GB1_46 O_GB1_47 1 0.000000e+00 7.587546e-07 ; 2.753194e-01 -7.587546e-07 9.801541e-01 8.977001e-01 0.004395 0.001132 True md_ensemble 4 402 412 + C_GB1_46 N_GB1_48 1 0.000000e+00 1.467038e-06 ; 2.908697e-01 -1.467038e-06 1.000000e+00 9.727543e-01 0.004395 0.001132 True md_ensemble 4 402 413 + C_GB1_46 CA_GB1_48 1 0.000000e+00 1.113707e-05 ; 3.443969e-01 -1.113707e-05 1.000000e+00 8.532979e-01 0.004395 0.001132 True md_ensemble 5 402 415 + C_GB1_46 CB_GB1_48 1 0.000000e+00 3.406828e-06 ; 3.120261e-01 -3.406828e-06 4.918256e-01 2.126867e-01 0.004395 0.001132 True md_ensemble 6 402 416 C_GB1_46 C_GB1_48 1 2.261115e-03 1.329815e-05 ; 4.248589e-01 9.611570e-02 6.598167e-01 1.024056e-01 0.004395 0.001132 True md_ensemble 6 402 417 C_GB1_46 N_GB1_49 1 2.206542e-03 5.516311e-06 ; 3.684027e-01 2.206560e-01 9.909539e-01 1.408386e-01 0.004395 0.011584 True md_ensemble 7 402 419 C_GB1_46 CA_GB1_49 1 6.649543e-03 5.424102e-05 ; 4.486655e-01 2.037960e-01 9.961503e-01 1.437429e-01 0.004395 0.008482 True md_ensemble 7 402 421 C_GB1_46 CB_GB1_49 1 3.597756e-03 3.802107e-05 ; 4.684524e-01 8.510971e-02 7.652593e-01 1.470135e-01 0.004395 0.001132 True md_ensemble 7 402 422 C_GB1_46 OG1_GB1_49 1 2.264684e-03 6.223545e-06 ; 3.742585e-01 2.060237e-01 4.728657e-01 8.924471e-02 0.004395 0.011584 True md_ensemble 7 402 423 - C_GB1_46 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 402 424 + C_GB1_46 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 402 424 C_GB1_46 C_GB1_49 1 7.560792e-03 4.843157e-05 ; 4.309500e-01 2.950843e-01 4.059969e-01 1.363488e-02 0.004395 0.011584 True md_ensemble 7 402 425 C_GB1_46 N_GB1_50 1 3.000187e-03 6.501492e-06 ; 3.597306e-01 3.461176e-01 9.993162e-01 1.248068e-02 0.004395 0.011584 True md_ensemble 7 402 427 C_GB1_46 CA_GB1_50 1 4.781130e-03 1.903116e-05 ; 3.980972e-01 3.002865e-01 9.999784e-01 2.223298e-02 0.004395 0.008482 True md_ensemble 7 402 429 - C_GB1_46 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 402 430 - C_GB1_46 CG_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 402 431 - C_GB1_46 CD_GB1_50 1 0.000000e+00 6.398598e-06 ; 3.288532e-01 -6.398598e-06 9.983872e-03 2.018869e-02 0.004395 0.001132 True md_ensemble 7 402 432 - C_GB1_46 CE_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 402 433 + C_GB1_46 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 402 430 + C_GB1_46 CG_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 402 431 + C_GB1_46 CD_GB1_50 1 0.000000e+00 6.398491e-06 ; 3.288527e-01 -6.398491e-06 9.983872e-03 2.018869e-02 0.004395 0.001132 True md_ensemble 7 402 432 + C_GB1_46 CE_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 402 433 C_GB1_46 C_GB1_50 1 7.660077e-03 4.378645e-05 ; 4.228481e-01 3.350168e-01 7.479481e-01 8.049121e-04 0.004395 0.011584 True md_ensemble 7 402 435 C_GB1_46 N_GB1_51 1 3.248901e-03 7.555901e-06 ; 3.639918e-01 3.492423e-01 9.854205e-01 4.288023e-04 0.004395 0.011584 True md_ensemble 7 402 437 C_GB1_46 CA_GB1_51 1 1.117859e-02 8.944766e-05 ; 4.472294e-01 3.492570e-01 9.857020e-01 1.055557e-03 0.004395 0.008482 True md_ensemble 7 402 439 C_GB1_46 CB_GB1_51 1 1.191789e-02 1.374214e-04 ; 4.753087e-01 2.583955e-01 7.596786e-01 5.075320e-03 0.004395 0.001132 True md_ensemble 7 402 440 - C_GB1_46 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 402 442 + C_GB1_46 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 402 442 C_GB1_46 C_GB1_51 1 7.667508e-03 4.706224e-05 ; 4.278942e-01 3.123028e-01 4.815769e-01 0.000000e+00 0.004395 0.011584 True md_ensemble 7 402 443 C_GB1_46 O_GB1_51 1 3.102021e-03 6.971561e-06 ; 3.619214e-01 3.450638e-01 9.087554e-01 3.221518e-04 0.004395 0.011584 True md_ensemble 7 402 444 - C_GB1_46 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 402 448 - C_GB1_46 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 402 460 - C_GB1_46 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 402 462 - C_GB1_46 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 402 468 - C_GB1_46 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 402 469 - C_GB1_46 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 402 470 - C_GB1_46 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 402 476 - C_GB1_46 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 402 478 - C_GB1_46 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 402 484 - C_GB1_46 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 402 485 + C_GB1_46 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 402 448 + C_GB1_46 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 402 460 + C_GB1_46 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 402 462 + C_GB1_46 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 402 468 + C_GB1_46 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 402 469 + C_GB1_46 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 402 470 + C_GB1_46 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 402 476 + C_GB1_46 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 402 478 + C_GB1_46 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 402 484 + C_GB1_46 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 402 485 O_GB1_46 O_GB1_46 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 403 403 O_GB1_46 H_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 403 405 - O_GB1_46 CB_GB1_47 1 0.000000e+00 2.015559e-06 ; 2.986721e-01 -2.015559e-06 9.999988e-01 9.999505e-01 0.004395 0.001132 True md_ensemble 4 403 407 + O_GB1_46 CB_GB1_47 1 0.000000e+00 2.015551e-06 ; 2.986720e-01 -2.015551e-06 9.999988e-01 9.999505e-01 0.004395 0.001132 True md_ensemble 4 403 407 O_GB1_46 CG_GB1_47 1 0.000000e+00 8.269429e-07 ; 2.773009e-01 -8.269429e-07 4.249225e-04 3.455796e-01 0.004395 0.001132 True md_ensemble 5 403 408 O_GB1_46 OD1_GB1_47 1 0.000000e+00 1.913367e-06 ; 2.973798e-01 -1.913367e-06 1.939705e-02 2.949751e-01 0.004395 0.001132 True md_ensemble 6 403 409 O_GB1_46 OD2_GB1_47 1 0.000000e+00 1.913367e-06 ; 2.973798e-01 -1.913367e-06 1.939705e-02 2.949751e-01 0.004395 0.001132 True md_ensemble 6 403 410 - O_GB1_46 C_GB1_47 1 0.000000e+00 8.235750e-07 ; 2.772066e-01 -8.235750e-07 1.000000e+00 9.959274e-01 0.004395 0.001132 True md_ensemble 4 403 411 + O_GB1_46 C_GB1_47 1 0.000000e+00 8.235712e-07 ; 2.772065e-01 -8.235712e-07 1.000000e+00 9.959274e-01 0.004395 0.001132 True md_ensemble 4 403 411 O_GB1_46 O_GB1_47 1 0.000000e+00 1.271042e-06 ; 2.874143e-01 -1.271042e-06 9.993895e-01 8.467510e-01 0.004395 0.001132 True md_ensemble 5 403 412 O_GB1_46 N_GB1_48 1 0.000000e+00 1.342157e-06 ; 2.887212e-01 -1.342157e-06 9.999983e-01 8.947697e-01 0.004395 0.001132 True md_ensemble 5 403 413 - O_GB1_46 H_GB1_48 1 0.000000e+00 1.406485e-08 ; 1.974723e-01 -1.406485e-08 2.625193e-01 1.689814e-01 0.004395 0.001132 True md_ensemble 6 403 414 - O_GB1_46 CA_GB1_48 1 0.000000e+00 2.463174e-06 ; 3.037057e-01 -2.463174e-06 9.873440e-01 5.803805e-01 0.004395 0.001132 True md_ensemble 6 403 415 + O_GB1_46 H_GB1_48 1 0.000000e+00 1.406507e-08 ; 1.974726e-01 -1.406507e-08 2.625193e-01 1.689814e-01 0.004395 0.001132 True md_ensemble 6 403 414 + O_GB1_46 CA_GB1_48 1 0.000000e+00 2.463193e-06 ; 3.037059e-01 -2.463193e-06 9.873440e-01 5.803805e-01 0.004395 0.001132 True md_ensemble 6 403 415 O_GB1_46 CB_GB1_48 1 0.000000e+00 1.680032e-06 ; 2.941743e-01 -1.680032e-06 1.583111e-02 1.328797e-01 0.004395 0.007862 True md_ensemble 7 403 416 O_GB1_46 C_GB1_48 1 2.483275e-03 6.771595e-06 ; 3.737757e-01 2.276663e-01 4.929348e-01 6.115738e-02 0.004395 0.011584 True md_ensemble 7 403 417 O_GB1_46 O_GB1_48 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 403 418 @@ -42784,45 +42784,45 @@ OD2_GB1_46 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- O_GB1_46 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 403 488 O_GB1_46 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 403 490 O_GB1_46 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 403 491 - N_GB1_47 CB_GB1_47 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 404 407 + N_GB1_47 CB_GB1_47 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 404 407 N_GB1_47 OD1_GB1_47 1 0.000000e+00 1.717378e-06 ; 2.947138e-01 -1.717378e-06 7.924431e-01 9.373620e-01 0.004395 0.001132 True md_ensemble 4 404 409 N_GB1_47 OD2_GB1_47 1 0.000000e+00 1.717378e-06 ; 2.947138e-01 -1.717378e-06 7.924431e-01 9.373620e-01 0.004395 0.001132 True md_ensemble 4 404 410 - N_GB1_47 CA_GB1_48 1 0.000000e+00 7.574339e-06 ; 3.335086e-01 -7.574339e-06 9.999970e-01 9.999104e-01 0.004395 0.001132 True md_ensemble 4 404 415 - N_GB1_47 CB_GB1_48 1 0.000000e+00 1.481328e-06 ; 2.911047e-01 -1.481328e-06 7.349369e-01 2.749909e-01 0.004395 0.001132 True md_ensemble 5 404 416 + N_GB1_47 CA_GB1_48 1 0.000000e+00 7.574327e-06 ; 3.335086e-01 -7.574327e-06 9.999970e-01 9.999104e-01 0.004395 0.001132 True md_ensemble 4 404 415 + N_GB1_47 CB_GB1_48 1 0.000000e+00 1.481314e-06 ; 2.911045e-01 -1.481314e-06 7.349369e-01 2.749909e-01 0.004395 0.001132 True md_ensemble 5 404 416 N_GB1_47 C_GB1_48 1 1.497252e-03 7.647767e-06 ; 4.149922e-01 7.328168e-02 1.924418e-01 4.649605e-02 0.004395 0.001132 True md_ensemble 5 404 417 N_GB1_47 O_GB1_48 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 0.000000e+00 6.509635e-02 0.004395 0.001132 True md_ensemble 6 404 418 N_GB1_47 N_GB1_49 1 1.295039e-03 4.445745e-06 ; 3.883980e-01 9.431069e-02 3.861722e-01 6.206917e-02 0.004395 0.001132 True md_ensemble 6 404 419 N_GB1_47 CA_GB1_49 1 8.378294e-03 9.487989e-05 ; 4.738815e-01 1.849597e-01 9.503301e-02 1.975620e-02 0.004395 0.008482 True md_ensemble 7 404 421 - N_GB1_47 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 404 422 - N_GB1_47 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 404 424 + N_GB1_47 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 404 422 + N_GB1_47 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 404 424 N_GB1_47 N_GB1_50 1 3.800370e-03 1.418042e-05 ; 3.938316e-01 2.546259e-01 1.574503e-01 5.563259e-04 0.004395 0.001132 True md_ensemble 7 404 427 N_GB1_47 CA_GB1_50 1 1.132763e-02 9.281313e-05 ; 4.489987e-01 3.456276e-01 9.187413e-01 4.702753e-03 0.004395 0.008482 True md_ensemble 7 404 429 - N_GB1_47 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 404 430 - N_GB1_47 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 404 431 - N_GB1_47 CD_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 404 432 - N_GB1_47 CE_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 404 433 + N_GB1_47 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 404 430 + N_GB1_47 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 404 431 + N_GB1_47 CD_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 404 432 + N_GB1_47 CE_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 404 433 N_GB1_47 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 3.759685e-03 0.004395 0.001132 True md_ensemble 7 404 434 N_GB1_47 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 9.645000e-06 0.000000e+00 0.004395 0.001132 True md_ensemble 7 404 437 - N_GB1_47 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 404 440 - N_GB1_47 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 404 442 + N_GB1_47 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 404 440 + N_GB1_47 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 404 442 N_GB1_47 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 404 445 - N_GB1_47 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 404 448 + N_GB1_47 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 404 448 N_GB1_47 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 404 457 - N_GB1_47 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 404 460 - N_GB1_47 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 404 462 + N_GB1_47 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 404 460 + N_GB1_47 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 404 462 N_GB1_47 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 404 465 - N_GB1_47 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 404 468 - N_GB1_47 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 404 469 - N_GB1_47 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 404 470 + N_GB1_47 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 404 468 + N_GB1_47 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 404 469 + N_GB1_47 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 404 470 N_GB1_47 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 404 473 - N_GB1_47 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 404 476 - N_GB1_47 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 404 478 + N_GB1_47 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 404 476 + N_GB1_47 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 404 478 N_GB1_47 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 3.343373e-05 0.004395 0.001132 True md_ensemble 7 404 481 - N_GB1_47 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 404 484 - N_GB1_47 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 404 485 + N_GB1_47 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 404 484 + N_GB1_47 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 404 485 H_GB1_47 H_GB1_47 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 405 405 - H_GB1_47 OD1_GB1_47 1 0.000000e+00 1.376805e-08 ; 1.971217e-01 -1.376805e-08 7.909230e-02 1.752572e-01 0.004395 0.001132 True md_ensemble 5 405 409 - H_GB1_47 OD2_GB1_47 1 0.000000e+00 1.376805e-08 ; 1.971217e-01 -1.376805e-08 7.909230e-02 1.752572e-01 0.004395 0.001132 True md_ensemble 5 405 410 + H_GB1_47 OD1_GB1_47 1 0.000000e+00 1.376827e-08 ; 1.971219e-01 -1.376827e-08 7.909230e-02 1.752572e-01 0.004395 0.001132 True md_ensemble 5 405 409 + H_GB1_47 OD2_GB1_47 1 0.000000e+00 1.376827e-08 ; 1.971219e-01 -1.376827e-08 7.909230e-02 1.752572e-01 0.004395 0.001132 True md_ensemble 5 405 410 H_GB1_47 O_GB1_47 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 405 412 H_GB1_47 H_GB1_48 1 0.000000e+00 4.975348e-09 ; 1.810910e-01 -4.975348e-09 9.815837e-01 3.961960e-01 0.004395 0.001132 True md_ensemble 5 405 414 H_GB1_47 O_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 405 418 @@ -42849,11 +42849,11 @@ OD2_GB1_46 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- H_GB1_47 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 405 488 H_GB1_47 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 405 490 H_GB1_47 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 405 491 - CA_GB1_47 CB_GB1_48 1 0.000000e+00 2.373771e-05 ; 3.668160e-01 -2.373771e-05 1.000000e+00 9.999916e-01 0.004395 0.001132 True md_ensemble 4 406 416 - CA_GB1_47 C_GB1_48 1 0.000000e+00 1.305187e-05 ; 3.489804e-01 -1.305187e-05 9.999995e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 406 417 - CA_GB1_47 O_GB1_48 1 0.000000e+00 5.064198e-06 ; 3.225058e-01 -5.064198e-06 7.728209e-02 2.965441e-01 0.004395 0.001132 True md_ensemble 5 406 418 - CA_GB1_47 N_GB1_49 1 0.000000e+00 5.666629e-06 ; 3.255408e-01 -5.666629e-06 9.999987e-01 7.480691e-01 0.004395 0.001132 True md_ensemble 5 406 419 - CA_GB1_47 CA_GB1_49 1 0.000000e+00 4.775865e-05 ; 3.888207e-01 -4.775865e-05 9.999940e-01 7.285138e-01 0.004395 0.001132 True md_ensemble 6 406 421 + CA_GB1_47 CB_GB1_48 1 0.000000e+00 2.373770e-05 ; 3.668160e-01 -2.373770e-05 1.000000e+00 9.999916e-01 0.004395 0.001132 True md_ensemble 4 406 416 + CA_GB1_47 C_GB1_48 1 0.000000e+00 1.305180e-05 ; 3.489803e-01 -1.305180e-05 9.999995e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 406 417 + CA_GB1_47 O_GB1_48 1 0.000000e+00 5.064238e-06 ; 3.225060e-01 -5.064238e-06 7.728209e-02 2.965441e-01 0.004395 0.001132 True md_ensemble 5 406 418 + CA_GB1_47 N_GB1_49 1 0.000000e+00 5.666621e-06 ; 3.255407e-01 -5.666621e-06 9.999987e-01 7.480691e-01 0.004395 0.001132 True md_ensemble 5 406 419 + CA_GB1_47 CA_GB1_49 1 0.000000e+00 4.775901e-05 ; 3.888209e-01 -4.775901e-05 9.999940e-01 7.285138e-01 0.004395 0.001132 True md_ensemble 6 406 421 CA_GB1_47 CB_GB1_49 1 1.049848e-02 3.305366e-04 ; 5.619299e-01 8.336307e-02 4.415219e-01 5.021301e-01 0.004395 0.006476 True md_ensemble 7 406 422 CA_GB1_47 C_GB1_49 1 9.589805e-03 1.168342e-04 ; 4.796893e-01 1.967840e-01 7.840833e-01 1.296137e-01 0.004395 0.008482 True md_ensemble 7 406 425 CA_GB1_47 N_GB1_50 1 2.689017e-03 8.638466e-06 ; 3.841261e-01 2.092620e-01 9.995268e-01 1.297319e-01 0.004395 0.008482 True md_ensemble 7 406 427 @@ -42866,207 +42866,207 @@ OD2_GB1_46 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- CA_GB1_47 C_GB1_50 1 1.444346e-02 1.894475e-04 ; 4.856271e-01 2.752922e-01 4.979704e-01 1.797266e-02 0.004395 0.008482 True md_ensemble 7 406 435 CA_GB1_47 N_GB1_51 1 1.157723e-02 1.207293e-04 ; 4.674136e-01 2.775471e-01 3.115485e-01 1.076356e-02 0.004395 0.008482 True md_ensemble 7 406 437 CA_GB1_47 CA_GB1_51 1 2.246164e-02 7.577243e-04 ; 5.684317e-01 1.664607e-01 1.168983e-01 2.655572e-02 0.004395 0.006476 True md_ensemble 7 406 439 - CB_GB1_47 CG_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 408 - CB_GB1_47 OD1_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 409 - CB_GB1_47 OD2_GB1_47 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 410 - CB_GB1_47 C_GB1_47 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 411 + CB_GB1_47 CG_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 408 + CB_GB1_47 OD1_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 409 + CB_GB1_47 OD2_GB1_47 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 410 + CB_GB1_47 C_GB1_47 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 411 CB_GB1_47 O_GB1_47 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 412 - CB_GB1_47 N_GB1_48 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 413 - CB_GB1_47 CA_GB1_48 1 0.000000e+00 3.181374e-05 ; 3.758774e-01 -3.181374e-05 9.999973e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 407 415 - CB_GB1_47 CB_GB1_48 1 0.000000e+00 1.033335e-05 ; 3.422539e-01 -1.033335e-05 5.803836e-01 4.773902e-01 0.004395 0.001132 True md_ensemble 5 407 416 - CB_GB1_47 C_GB1_48 1 0.000000e+00 8.938195e-06 ; 3.381420e-01 -8.938195e-06 9.983312e-03 4.211374e-01 0.004395 0.001132 True md_ensemble 5 407 417 + CB_GB1_47 N_GB1_48 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 413 + CB_GB1_47 CA_GB1_48 1 0.000000e+00 3.181360e-05 ; 3.758773e-01 -3.181360e-05 9.999973e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 407 415 + CB_GB1_47 CB_GB1_48 1 0.000000e+00 1.033322e-05 ; 3.422536e-01 -1.033322e-05 5.803836e-01 4.773902e-01 0.004395 0.001132 True md_ensemble 5 407 416 + CB_GB1_47 C_GB1_48 1 0.000000e+00 8.938045e-06 ; 3.381416e-01 -8.938045e-06 9.983312e-03 4.211374e-01 0.004395 0.001132 True md_ensemble 5 407 417 CB_GB1_47 O_GB1_48 1 0.000000e+00 2.015656e-06 ; 2.986733e-01 -2.015656e-06 0.000000e+00 7.815995e-02 0.004395 0.001132 True md_ensemble 6 407 418 - CB_GB1_47 N_GB1_49 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 419 - CB_GB1_47 OG1_GB1_49 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 423 - CB_GB1_47 C_GB1_49 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 425 + CB_GB1_47 N_GB1_49 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 419 + CB_GB1_47 OG1_GB1_49 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 423 + CB_GB1_47 C_GB1_49 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 425 CB_GB1_47 O_GB1_49 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 9.463430e-02 0.004395 0.007862 True md_ensemble 7 407 426 - CB_GB1_47 N_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 427 + CB_GB1_47 N_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 427 CB_GB1_47 CA_GB1_50 1 1.400679e-02 2.871062e-04 ; 5.231393e-01 1.708341e-01 5.280160e-01 1.210960e-01 0.004395 0.007117 True md_ensemble 7 407 429 - CB_GB1_47 CG_GB1_50 1 0.000000e+00 1.681487e-05 ; 3.564261e-01 -1.681487e-05 1.404243e-02 1.031660e-01 0.004395 0.007860 True md_ensemble 7 407 431 + CB_GB1_47 CG_GB1_50 1 0.000000e+00 1.681460e-05 ; 3.564256e-01 -1.681460e-05 1.404243e-02 1.031660e-01 0.004395 0.007860 True md_ensemble 7 407 431 CB_GB1_47 CD_GB1_50 1 8.672387e-03 8.845317e-05 ; 4.656888e-01 2.125710e-01 7.618002e-01 8.592992e-02 0.004395 0.007860 True md_ensemble 7 407 432 CB_GB1_47 CE_GB1_50 1 9.830085e-03 1.085078e-04 ; 4.718645e-01 2.226350e-01 7.566713e-01 7.022500e-02 0.004395 0.007860 True md_ensemble 7 407 433 CB_GB1_47 NZ_GB1_50 1 3.063927e-03 1.455199e-05 ; 4.099907e-01 1.612777e-01 7.700097e-01 3.379591e-02 0.004395 0.001132 True md_ensemble 7 407 434 - CB_GB1_47 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 435 + CB_GB1_47 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 435 CB_GB1_47 O_GB1_50 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.126294e-02 0.004395 0.007862 True md_ensemble 7 407 436 - CB_GB1_47 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 437 - CB_GB1_47 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 441 - CB_GB1_47 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 443 + CB_GB1_47 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 437 + CB_GB1_47 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 441 + CB_GB1_47 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 443 CB_GB1_47 O_GB1_51 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.686948e-03 0.004395 0.007862 True md_ensemble 7 407 444 - CB_GB1_47 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 445 - CB_GB1_47 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 455 + CB_GB1_47 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 445 + CB_GB1_47 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 455 CB_GB1_47 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.288960e-03 0.004395 0.007862 True md_ensemble 7 407 456 - CB_GB1_47 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 457 - CB_GB1_47 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 461 - CB_GB1_47 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 463 + CB_GB1_47 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 457 + CB_GB1_47 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 461 + CB_GB1_47 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 463 CB_GB1_47 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.293969e-04 0.004395 0.007862 True md_ensemble 7 407 464 - CB_GB1_47 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 465 - CB_GB1_47 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 471 + CB_GB1_47 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 465 + CB_GB1_47 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 471 CB_GB1_47 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 6.535828e-04 0.004395 0.007862 True md_ensemble 7 407 472 - CB_GB1_47 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 473 - CB_GB1_47 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 477 - CB_GB1_47 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 479 + CB_GB1_47 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 473 + CB_GB1_47 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 477 + CB_GB1_47 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 479 CB_GB1_47 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.913034e-04 0.004395 0.007862 True md_ensemble 7 407 480 - CB_GB1_47 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 481 - CB_GB1_47 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 486 - CB_GB1_47 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 487 - CB_GB1_47 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 488 - CB_GB1_47 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 489 - CB_GB1_47 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 490 - CB_GB1_47 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 491 - CG_GB1_47 O_GB1_47 1 0.000000e+00 5.255518e-07 ; 2.670215e-01 -5.255518e-07 9.716496e-01 6.071854e-01 0.004395 0.001132 True md_ensemble 4 408 412 - CG_GB1_47 N_GB1_48 1 0.000000e+00 1.098261e-06 ; 2.839360e-01 -1.098261e-06 9.936813e-01 7.218992e-01 0.004395 0.001132 True md_ensemble 4 408 413 - CG_GB1_47 CA_GB1_48 1 0.000000e+00 5.317265e-06 ; 3.238190e-01 -5.317265e-06 9.430066e-01 3.504016e-01 0.004395 0.001132 True md_ensemble 5 408 415 - CG_GB1_47 CB_GB1_48 1 0.000000e+00 4.726241e-06 ; 3.206550e-01 -4.726241e-06 4.981895e-02 4.984551e-02 0.004395 0.001132 True md_ensemble 6 408 416 + CB_GB1_47 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 481 + CB_GB1_47 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 486 + CB_GB1_47 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 487 + CB_GB1_47 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 488 + CB_GB1_47 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 489 + CB_GB1_47 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 490 + CB_GB1_47 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 407 491 + CG_GB1_47 O_GB1_47 1 0.000000e+00 5.255494e-07 ; 2.670214e-01 -5.255494e-07 9.716496e-01 6.071854e-01 0.004395 0.001132 True md_ensemble 4 408 412 + CG_GB1_47 N_GB1_48 1 0.000000e+00 1.098245e-06 ; 2.839357e-01 -1.098245e-06 9.936813e-01 7.218992e-01 0.004395 0.001132 True md_ensemble 4 408 413 + CG_GB1_47 CA_GB1_48 1 0.000000e+00 5.317237e-06 ; 3.238189e-01 -5.317237e-06 9.430066e-01 3.504016e-01 0.004395 0.001132 True md_ensemble 5 408 415 + CG_GB1_47 CB_GB1_48 1 0.000000e+00 4.726179e-06 ; 3.206546e-01 -4.726179e-06 4.981895e-02 4.984551e-02 0.004395 0.001132 True md_ensemble 6 408 416 CG_GB1_47 C_GB1_48 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 0.000000e+00 6.371086e-02 0.004395 0.001132 True md_ensemble 6 408 417 - CG_GB1_47 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 408 422 - CG_GB1_47 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 408 424 + CG_GB1_47 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 408 422 + CG_GB1_47 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 408 424 CG_GB1_47 CA_GB1_50 1 5.032907e-03 7.386492e-05 ; 4.948078e-01 8.573133e-02 2.266100e-02 3.224084e-02 0.004395 0.008482 True md_ensemble 7 408 429 - CG_GB1_47 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 408 430 - CG_GB1_47 CG_GB1_50 1 0.000000e+00 6.473531e-06 ; 3.291724e-01 -6.473531e-06 2.447128e-02 4.650644e-02 0.004395 0.001132 True md_ensemble 7 408 431 + CG_GB1_47 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 408 430 + CG_GB1_47 CG_GB1_50 1 0.000000e+00 6.473422e-06 ; 3.291720e-01 -6.473422e-06 2.447128e-02 4.650644e-02 0.004395 0.001132 True md_ensemble 7 408 431 CG_GB1_47 CD_GB1_50 1 2.373622e-03 9.746048e-06 ; 4.001623e-01 1.445222e-01 7.551063e-01 4.585896e-02 0.004395 0.001132 True md_ensemble 7 408 432 CG_GB1_47 CE_GB1_50 1 1.870127e-03 5.875909e-06 ; 3.827078e-01 1.488014e-01 7.834611e-01 4.379362e-02 0.004395 0.001132 True md_ensemble 7 408 433 CG_GB1_47 NZ_GB1_50 1 8.411430e-04 5.859006e-07 ; 2.977321e-01 3.018949e-01 7.881152e-01 2.319483e-02 0.004395 0.011584 True md_ensemble 7 408 434 - CG_GB1_47 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 408 440 - CG_GB1_47 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 408 442 - CG_GB1_47 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 408 448 - CG_GB1_47 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 408 460 - CG_GB1_47 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 408 462 - CG_GB1_47 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 408 468 - CG_GB1_47 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 408 469 - CG_GB1_47 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 408 470 - CG_GB1_47 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 408 476 - CG_GB1_47 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 408 478 - CG_GB1_47 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 408 484 - CG_GB1_47 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 408 485 + CG_GB1_47 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 408 440 + CG_GB1_47 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 408 442 + CG_GB1_47 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 408 448 + CG_GB1_47 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 408 460 + CG_GB1_47 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 408 462 + CG_GB1_47 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 408 468 + CG_GB1_47 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 408 469 + CG_GB1_47 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 408 470 + CG_GB1_47 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 408 476 + CG_GB1_47 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 408 478 + CG_GB1_47 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 408 484 + CG_GB1_47 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 408 485 OD1_GB1_47 OD1_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 409 409 OD1_GB1_47 OD2_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 409 410 -OD1_GB1_47 C_GB1_47 1 0.000000e+00 3.646008e-07 ; 2.590080e-01 -3.646008e-07 9.525376e-01 4.972045e-01 0.004395 0.001132 True md_ensemble 4 409 411 +OD1_GB1_47 C_GB1_47 1 0.000000e+00 3.645992e-07 ; 2.590079e-01 -3.645992e-07 9.525376e-01 4.972045e-01 0.004395 0.001132 True md_ensemble 4 409 411 OD1_GB1_47 O_GB1_47 1 0.000000e+00 6.144700e-07 ; 2.705225e-01 -6.144700e-07 9.153930e-01 3.250397e-01 0.004395 0.001132 True md_ensemble 5 409 412 OD1_GB1_47 N_GB1_48 1 0.000000e+00 1.266260e-06 ; 2.873240e-01 -1.266260e-06 4.678429e-01 3.120161e-01 0.004395 0.001132 True md_ensemble 5 409 413 -OD1_GB1_47 H_GB1_48 1 0.000000e+00 1.270113e-08 ; 1.958011e-01 -1.270113e-08 2.530885e-02 3.652980e-02 0.004395 0.001132 True md_ensemble 6 409 414 -OD1_GB1_47 CA_GB1_48 1 0.000000e+00 3.478142e-06 ; 3.125652e-01 -3.478142e-06 9.190683e-02 1.263880e-01 0.004395 0.001132 True md_ensemble 6 409 415 +OD1_GB1_47 H_GB1_48 1 0.000000e+00 1.270134e-08 ; 1.958014e-01 -1.270134e-08 2.530885e-02 3.652980e-02 0.004395 0.001132 True md_ensemble 6 409 414 +OD1_GB1_47 CA_GB1_48 1 0.000000e+00 3.478171e-06 ; 3.125654e-01 -3.478171e-06 9.190683e-02 1.263880e-01 0.004395 0.001132 True md_ensemble 6 409 415 OD1_GB1_47 CB_GB1_48 1 0.000000e+00 1.220625e-06 ; 2.864465e-01 -1.220625e-06 1.681578e-02 1.941095e-02 0.004395 0.001132 True md_ensemble 7 409 416 OD1_GB1_47 O_GB1_48 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 409 418 OD1_GB1_47 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 409 420 -OD1_GB1_47 CB_GB1_49 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 409 422 +OD1_GB1_47 CB_GB1_49 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 409 422 OD1_GB1_47 CG2_GB1_49 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 409 424 OD1_GB1_47 O_GB1_49 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 409 426 OD1_GB1_47 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 409 428 OD1_GB1_47 CA_GB1_50 1 2.993702e-03 2.153724e-05 ; 4.393699e-01 1.040320e-01 1.602474e-02 1.599085e-02 0.004395 0.008483 True md_ensemble 7 409 429 -OD1_GB1_47 CB_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 409 430 -OD1_GB1_47 CG_GB1_50 1 0.000000e+00 1.623453e-06 ; 2.933357e-01 -1.623453e-06 2.746353e-02 2.243839e-02 0.004395 0.001132 True md_ensemble 7 409 431 +OD1_GB1_47 CB_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 409 430 +OD1_GB1_47 CG_GB1_50 1 0.000000e+00 1.623447e-06 ; 2.933357e-01 -1.623447e-06 2.746353e-02 2.243839e-02 0.004395 0.001132 True md_ensemble 7 409 431 OD1_GB1_47 CD_GB1_50 1 5.979048e-04 6.270551e-07 ; 3.187466e-01 1.425274e-01 4.136696e-01 2.611328e-02 0.004395 0.001132 True md_ensemble 7 409 432 OD1_GB1_47 CE_GB1_50 1 6.514557e-04 6.817630e-07 ; 3.186335e-01 1.556239e-01 5.256900e-01 2.574491e-02 0.004395 0.001132 True md_ensemble 7 409 433 OD1_GB1_47 NZ_GB1_50 1 2.387400e-04 4.485216e-08 ; 2.393186e-01 3.176924e-01 6.991777e-01 1.515007e-02 0.004395 0.011584 True md_ensemble 7 409 434 OD1_GB1_47 O_GB1_50 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 409 436 OD1_GB1_47 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 409 438 -OD1_GB1_47 CB_GB1_51 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 409 440 +OD1_GB1_47 CB_GB1_51 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 409 440 OD1_GB1_47 CG2_GB1_51 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 409 442 OD1_GB1_47 O_GB1_51 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 409 444 OD1_GB1_47 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 409 446 -OD1_GB1_47 CB_GB1_52 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 409 448 +OD1_GB1_47 CB_GB1_52 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 409 448 OD1_GB1_47 O_GB1_52 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 409 456 OD1_GB1_47 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 409 458 -OD1_GB1_47 CB_GB1_53 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 409 460 +OD1_GB1_47 CB_GB1_53 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 409 460 OD1_GB1_47 CG2_GB1_53 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 409 462 OD1_GB1_47 O_GB1_53 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 409 464 OD1_GB1_47 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 409 466 -OD1_GB1_47 CB_GB1_54 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 409 468 +OD1_GB1_47 CB_GB1_54 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 409 468 OD1_GB1_47 CG1_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 409 469 OD1_GB1_47 CG2_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 409 470 OD1_GB1_47 O_GB1_54 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 409 472 OD1_GB1_47 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 409 474 -OD1_GB1_47 CB_GB1_55 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 409 476 +OD1_GB1_47 CB_GB1_55 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 409 476 OD1_GB1_47 CG2_GB1_55 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 409 478 OD1_GB1_47 O_GB1_55 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 409 480 OD1_GB1_47 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 409 482 -OD1_GB1_47 CB_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 409 484 -OD1_GB1_47 CG_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 409 485 +OD1_GB1_47 CB_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 409 484 +OD1_GB1_47 CG_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 409 485 OD1_GB1_47 OE1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 409 487 OD1_GB1_47 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 409 488 OD1_GB1_47 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 409 490 OD1_GB1_47 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 409 491 OD2_GB1_47 OD2_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 410 410 -OD2_GB1_47 C_GB1_47 1 0.000000e+00 3.646008e-07 ; 2.590080e-01 -3.646008e-07 9.525376e-01 4.972045e-01 0.004395 0.001132 True md_ensemble 4 410 411 +OD2_GB1_47 C_GB1_47 1 0.000000e+00 3.645992e-07 ; 2.590079e-01 -3.645992e-07 9.525376e-01 4.972045e-01 0.004395 0.001132 True md_ensemble 4 410 411 OD2_GB1_47 O_GB1_47 1 0.000000e+00 6.144700e-07 ; 2.705225e-01 -6.144700e-07 9.153930e-01 3.250397e-01 0.004395 0.001132 True md_ensemble 5 410 412 OD2_GB1_47 N_GB1_48 1 0.000000e+00 1.266260e-06 ; 2.873240e-01 -1.266260e-06 4.678429e-01 3.120161e-01 0.004395 0.001132 True md_ensemble 5 410 413 -OD2_GB1_47 H_GB1_48 1 0.000000e+00 1.270113e-08 ; 1.958011e-01 -1.270113e-08 2.530885e-02 3.652980e-02 0.004395 0.001132 True md_ensemble 6 410 414 -OD2_GB1_47 CA_GB1_48 1 0.000000e+00 3.478142e-06 ; 3.125652e-01 -3.478142e-06 9.190683e-02 1.263880e-01 0.004395 0.001132 True md_ensemble 6 410 415 +OD2_GB1_47 H_GB1_48 1 0.000000e+00 1.270134e-08 ; 1.958014e-01 -1.270134e-08 2.530885e-02 3.652980e-02 0.004395 0.001132 True md_ensemble 6 410 414 +OD2_GB1_47 CA_GB1_48 1 0.000000e+00 3.478171e-06 ; 3.125654e-01 -3.478171e-06 9.190683e-02 1.263880e-01 0.004395 0.001132 True md_ensemble 6 410 415 OD2_GB1_47 CB_GB1_48 1 0.000000e+00 1.220625e-06 ; 2.864465e-01 -1.220625e-06 1.681578e-02 1.941095e-02 0.004395 0.001132 True md_ensemble 7 410 416 OD2_GB1_47 O_GB1_48 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 410 418 OD2_GB1_47 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 410 420 -OD2_GB1_47 CB_GB1_49 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 410 422 +OD2_GB1_47 CB_GB1_49 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 410 422 OD2_GB1_47 CG2_GB1_49 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 410 424 OD2_GB1_47 O_GB1_49 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 410 426 OD2_GB1_47 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 410 428 OD2_GB1_47 CA_GB1_50 1 2.993702e-03 2.153724e-05 ; 4.393699e-01 1.040320e-01 1.602474e-02 1.599085e-02 0.004395 0.008483 True md_ensemble 7 410 429 -OD2_GB1_47 CB_GB1_50 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 410 430 -OD2_GB1_47 CG_GB1_50 1 0.000000e+00 1.623453e-06 ; 2.933357e-01 -1.623453e-06 2.746353e-02 2.243839e-02 0.004395 0.001132 True md_ensemble 7 410 431 +OD2_GB1_47 CB_GB1_50 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 410 430 +OD2_GB1_47 CG_GB1_50 1 0.000000e+00 1.623447e-06 ; 2.933357e-01 -1.623447e-06 2.746353e-02 2.243839e-02 0.004395 0.001132 True md_ensemble 7 410 431 OD2_GB1_47 CD_GB1_50 1 5.979048e-04 6.270551e-07 ; 3.187466e-01 1.425274e-01 4.136696e-01 2.611328e-02 0.004395 0.001132 True md_ensemble 7 410 432 OD2_GB1_47 CE_GB1_50 1 6.514557e-04 6.817630e-07 ; 3.186335e-01 1.556239e-01 5.256900e-01 2.574491e-02 0.004395 0.001132 True md_ensemble 7 410 433 OD2_GB1_47 NZ_GB1_50 1 2.387400e-04 4.485216e-08 ; 2.393186e-01 3.176924e-01 6.991777e-01 1.515007e-02 0.004395 0.011584 True md_ensemble 7 410 434 OD2_GB1_47 O_GB1_50 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 410 436 OD2_GB1_47 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 410 438 -OD2_GB1_47 CB_GB1_51 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 410 440 +OD2_GB1_47 CB_GB1_51 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 410 440 OD2_GB1_47 CG2_GB1_51 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 410 442 OD2_GB1_47 O_GB1_51 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 410 444 OD2_GB1_47 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 410 446 -OD2_GB1_47 CB_GB1_52 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 410 448 +OD2_GB1_47 CB_GB1_52 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 410 448 OD2_GB1_47 O_GB1_52 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 410 456 OD2_GB1_47 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 410 458 -OD2_GB1_47 CB_GB1_53 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 410 460 +OD2_GB1_47 CB_GB1_53 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 410 460 OD2_GB1_47 CG2_GB1_53 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 410 462 OD2_GB1_47 O_GB1_53 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 410 464 OD2_GB1_47 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 410 466 -OD2_GB1_47 CB_GB1_54 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 410 468 +OD2_GB1_47 CB_GB1_54 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 410 468 OD2_GB1_47 CG1_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 410 469 OD2_GB1_47 CG2_GB1_54 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 410 470 OD2_GB1_47 O_GB1_54 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 410 472 OD2_GB1_47 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 410 474 -OD2_GB1_47 CB_GB1_55 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 410 476 +OD2_GB1_47 CB_GB1_55 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 410 476 OD2_GB1_47 CG2_GB1_55 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 410 478 OD2_GB1_47 O_GB1_55 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 410 480 OD2_GB1_47 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 410 482 -OD2_GB1_47 CB_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 410 484 -OD2_GB1_47 CG_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 410 485 +OD2_GB1_47 CB_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 410 484 +OD2_GB1_47 CG_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 410 485 OD2_GB1_47 OE1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 410 487 OD2_GB1_47 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 410 488 OD2_GB1_47 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 410 490 OD2_GB1_47 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 410 491 - C_GB1_47 CB_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 411 416 - C_GB1_47 O_GB1_48 1 0.000000e+00 6.645285e-07 ; 2.722938e-01 -6.645285e-07 9.973805e-01 8.009772e-01 0.004395 0.001132 True md_ensemble 4 411 418 - C_GB1_47 N_GB1_49 1 0.000000e+00 1.452339e-06 ; 2.906257e-01 -1.452339e-06 1.000000e+00 9.629943e-01 0.004395 0.001132 True md_ensemble 4 411 419 - C_GB1_47 CA_GB1_49 1 0.000000e+00 1.125725e-05 ; 3.447051e-01 -1.125725e-05 9.999883e-01 8.624895e-01 0.004395 0.001132 True md_ensemble 5 411 421 - C_GB1_47 CB_GB1_49 1 0.000000e+00 1.479991e-05 ; 3.526549e-01 -1.479991e-05 3.663461e-01 5.002771e-01 0.004395 0.001132 True md_ensemble 6 411 422 - C_GB1_47 CG2_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 411 424 - C_GB1_47 C_GB1_49 1 0.000000e+00 1.071080e-06 ; 2.833436e-01 -1.071080e-06 8.052392e-01 2.174196e-01 0.004395 0.001132 True md_ensemble 6 411 425 + C_GB1_47 CB_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 411 416 + C_GB1_47 O_GB1_48 1 0.000000e+00 6.645255e-07 ; 2.722937e-01 -6.645255e-07 9.973805e-01 8.009772e-01 0.004395 0.001132 True md_ensemble 4 411 418 + C_GB1_47 N_GB1_49 1 0.000000e+00 1.452318e-06 ; 2.906253e-01 -1.452318e-06 1.000000e+00 9.629943e-01 0.004395 0.001132 True md_ensemble 4 411 419 + C_GB1_47 CA_GB1_49 1 0.000000e+00 1.125719e-05 ; 3.447049e-01 -1.125719e-05 9.999883e-01 8.624895e-01 0.004395 0.001132 True md_ensemble 5 411 421 + C_GB1_47 CB_GB1_49 1 0.000000e+00 1.479984e-05 ; 3.526548e-01 -1.479984e-05 3.663461e-01 5.002771e-01 0.004395 0.001132 True md_ensemble 6 411 422 + C_GB1_47 CG2_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 411 424 + C_GB1_47 C_GB1_49 1 0.000000e+00 1.071061e-06 ; 2.833432e-01 -1.071061e-06 8.052392e-01 2.174196e-01 0.004395 0.001132 True md_ensemble 6 411 425 C_GB1_47 N_GB1_50 1 1.158226e-03 1.581463e-06 ; 3.330767e-01 2.120643e-01 9.990871e-01 1.677246e-01 0.004395 0.011584 True md_ensemble 7 411 427 C_GB1_47 CA_GB1_50 1 3.172516e-03 1.280189e-05 ; 3.990050e-01 1.965503e-01 9.997328e-01 1.660123e-01 0.004395 0.008482 True md_ensemble 7 411 429 - C_GB1_47 CB_GB1_50 1 0.000000e+00 4.319480e-06 ; 3.182592e-01 -4.319480e-06 4.343126e-01 1.162681e-01 0.004395 0.001132 True md_ensemble 7 411 430 + C_GB1_47 CB_GB1_50 1 0.000000e+00 4.319407e-06 ; 3.182587e-01 -4.319407e-06 4.343126e-01 1.162681e-01 0.004395 0.001132 True md_ensemble 7 411 430 C_GB1_47 CG_GB1_50 1 2.809332e-03 1.553804e-05 ; 4.205318e-01 1.269843e-01 9.472894e-01 8.082248e-02 0.004395 0.001132 True md_ensemble 7 411 431 C_GB1_47 CD_GB1_50 1 1.892648e-03 5.400458e-06 ; 3.766114e-01 1.658246e-01 9.158798e-01 3.680703e-02 0.004395 0.001132 True md_ensemble 7 411 432 C_GB1_47 CE_GB1_50 1 2.378930e-03 8.000707e-06 ; 3.870714e-01 1.768377e-01 9.113994e-01 2.958649e-02 0.004395 0.001132 True md_ensemble 7 411 433 C_GB1_47 NZ_GB1_50 1 2.764237e-03 5.651483e-06 ; 3.562579e-01 3.380088e-01 7.984188e-01 1.166879e-02 0.004395 0.011584 True md_ensemble 7 411 434 - C_GB1_47 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 411 440 - C_GB1_47 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 411 442 - C_GB1_47 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 411 448 - C_GB1_47 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 411 460 - C_GB1_47 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 411 462 - C_GB1_47 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 411 468 - C_GB1_47 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 411 469 - C_GB1_47 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 411 470 - C_GB1_47 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 411 476 - C_GB1_47 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 411 478 - C_GB1_47 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 411 484 - C_GB1_47 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 411 485 + C_GB1_47 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 411 440 + C_GB1_47 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 411 442 + C_GB1_47 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 411 448 + C_GB1_47 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 411 460 + C_GB1_47 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 411 462 + C_GB1_47 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 411 468 + C_GB1_47 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 411 469 + C_GB1_47 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 411 470 + C_GB1_47 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 411 476 + C_GB1_47 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 411 478 + C_GB1_47 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 411 484 + C_GB1_47 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 411 485 O_GB1_47 O_GB1_47 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 412 412 O_GB1_47 H_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 412 414 O_GB1_47 CB_GB1_48 1 0.000000e+00 1.503340e-06 ; 2.914628e-01 -1.503340e-06 1.000000e+00 9.995664e-01 0.004395 0.001132 True md_ensemble 4 412 416 - O_GB1_47 C_GB1_48 1 0.000000e+00 8.168733e-07 ; 2.770179e-01 -8.168733e-07 9.999967e-01 9.878198e-01 0.004395 0.001132 True md_ensemble 4 412 417 + O_GB1_47 C_GB1_48 1 0.000000e+00 8.168695e-07 ; 2.770178e-01 -8.168695e-07 9.999967e-01 9.878198e-01 0.004395 0.001132 True md_ensemble 4 412 417 O_GB1_47 O_GB1_48 1 0.000000e+00 1.137258e-06 ; 2.847628e-01 -1.137258e-06 9.997336e-01 7.579057e-01 0.004395 0.001132 True md_ensemble 5 412 418 O_GB1_47 N_GB1_49 1 0.000000e+00 1.277707e-06 ; 2.875396e-01 -1.277707e-06 9.997987e-01 8.516035e-01 0.004395 0.001132 True md_ensemble 5 412 419 - O_GB1_47 H_GB1_49 1 0.000000e+00 1.733099e-08 ; 2.009387e-01 -1.733099e-08 1.160274e-01 2.329883e-01 0.004395 0.001132 True md_ensemble 6 412 420 - O_GB1_47 CA_GB1_49 1 0.000000e+00 2.924805e-06 ; 3.080844e-01 -2.924805e-06 9.090680e-01 6.132473e-01 0.004395 0.001132 True md_ensemble 6 412 421 + O_GB1_47 H_GB1_49 1 0.000000e+00 1.733126e-08 ; 2.009390e-01 -1.733126e-08 1.160274e-01 2.329883e-01 0.004395 0.001132 True md_ensemble 6 412 420 + O_GB1_47 CA_GB1_49 1 0.000000e+00 2.924828e-06 ; 3.080846e-01 -2.924828e-06 9.090680e-01 6.132473e-01 0.004395 0.001132 True md_ensemble 6 412 421 O_GB1_47 CB_GB1_49 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 3.678850e-03 2.189814e-01 0.004395 0.007862 True md_ensemble 7 412 422 O_GB1_47 CG2_GB1_49 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 412 424 O_GB1_47 C_GB1_49 1 1.734376e-03 4.263497e-06 ; 3.673701e-01 1.763844e-01 4.068977e-01 1.364061e-01 0.004395 0.011584 True md_ensemble 7 412 425 @@ -43107,38 +43107,38 @@ OD2_GB1_47 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- O_GB1_47 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 412 488 O_GB1_47 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 412 490 O_GB1_47 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 412 491 - N_GB1_48 CB_GB1_48 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 413 416 - N_GB1_48 CA_GB1_49 1 0.000000e+00 7.574746e-06 ; 3.335101e-01 -7.574746e-06 9.999979e-01 9.999650e-01 0.004395 0.001132 True md_ensemble 4 413 421 - N_GB1_48 CB_GB1_49 1 0.000000e+00 5.893959e-06 ; 3.266096e-01 -5.893959e-06 9.259123e-01 7.039932e-01 0.004395 0.001132 True md_ensemble 5 413 422 + N_GB1_48 CB_GB1_48 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 413 416 + N_GB1_48 CA_GB1_49 1 0.000000e+00 7.574734e-06 ; 3.335101e-01 -7.574734e-06 9.999979e-01 9.999650e-01 0.004395 0.001132 True md_ensemble 4 413 421 + N_GB1_48 CB_GB1_49 1 0.000000e+00 5.893950e-06 ; 3.266095e-01 -5.893950e-06 9.259123e-01 7.039932e-01 0.004395 0.001132 True md_ensemble 5 413 422 N_GB1_48 OG1_GB1_49 1 0.000000e+00 6.627671e-07 ; 2.722336e-01 -6.627671e-07 3.474060e-03 7.076375e-02 0.004395 0.001132 True md_ensemble 6 413 423 - N_GB1_48 CG2_GB1_49 1 0.000000e+00 3.215323e-06 ; 3.105253e-01 -3.215323e-06 1.624586e-02 1.884695e-01 0.004395 0.001132 True md_ensemble 6 413 424 + N_GB1_48 CG2_GB1_49 1 0.000000e+00 3.215292e-06 ; 3.105251e-01 -3.215292e-06 1.624586e-02 1.884695e-01 0.004395 0.001132 True md_ensemble 6 413 424 N_GB1_48 C_GB1_49 1 1.502979e-03 7.315482e-06 ; 4.116692e-01 7.719747e-02 4.160834e-01 9.318243e-02 0.004395 0.001132 True md_ensemble 5 413 425 N_GB1_48 O_GB1_49 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 0.000000e+00 1.623092e-01 0.004395 0.001132 True md_ensemble 6 413 426 N_GB1_48 N_GB1_50 1 1.272039e-03 3.098321e-06 ; 3.668071e-01 1.305612e-01 9.492203e-01 7.556240e-02 0.004395 0.001132 True md_ensemble 6 413 427 N_GB1_48 CA_GB1_50 1 9.758320e-03 8.715203e-05 ; 4.554951e-01 2.731572e-01 8.334085e-01 3.135037e-02 0.004395 0.008482 True md_ensemble 7 413 429 - N_GB1_48 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 413 430 - N_GB1_48 CG_GB1_50 1 0.000000e+00 3.668995e-06 ; 3.139597e-01 -3.668995e-06 1.214574e-02 1.021806e-02 0.004395 0.001132 True md_ensemble 7 413 431 + N_GB1_48 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 413 430 + N_GB1_48 CG_GB1_50 1 0.000000e+00 3.668947e-06 ; 3.139594e-01 -3.668947e-06 1.214574e-02 1.021806e-02 0.004395 0.001132 True md_ensemble 7 413 431 N_GB1_48 CD_GB1_50 1 5.931976e-03 4.142244e-05 ; 4.371925e-01 2.123748e-01 1.140962e-01 1.859966e-03 0.004395 0.001132 True md_ensemble 7 413 432 N_GB1_48 CE_GB1_50 1 4.646547e-03 3.341348e-05 ; 4.393378e-01 1.615396e-01 6.751484e-02 2.948242e-03 0.004395 0.001132 True md_ensemble 7 413 433 N_GB1_48 NZ_GB1_50 1 1.445123e-03 5.129632e-06 ; 3.905682e-01 1.017802e-01 1.290947e-02 1.795250e-03 0.004395 0.001132 True md_ensemble 7 413 434 N_GB1_48 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 3.669243e-04 0.004395 0.001132 True md_ensemble 7 413 437 - N_GB1_48 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 413 440 - N_GB1_48 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 413 442 + N_GB1_48 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 413 440 + N_GB1_48 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 413 442 N_GB1_48 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 413 445 - N_GB1_48 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 413 448 + N_GB1_48 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 413 448 N_GB1_48 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 413 457 - N_GB1_48 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 413 460 - N_GB1_48 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 413 462 + N_GB1_48 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 413 460 + N_GB1_48 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 413 462 N_GB1_48 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 413 465 - N_GB1_48 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 413 468 - N_GB1_48 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 413 469 - N_GB1_48 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 413 470 + N_GB1_48 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 413 468 + N_GB1_48 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 413 469 + N_GB1_48 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 413 470 N_GB1_48 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 413 473 - N_GB1_48 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 413 476 - N_GB1_48 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 413 478 + N_GB1_48 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 413 476 + N_GB1_48 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 413 478 N_GB1_48 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 413 481 - N_GB1_48 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 413 484 - N_GB1_48 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 413 485 + N_GB1_48 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 413 484 + N_GB1_48 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 413 485 H_GB1_48 H_GB1_48 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 414 414 H_GB1_48 O_GB1_48 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 414 418 H_GB1_48 H_GB1_49 1 0.000000e+00 7.561333e-09 ; 1.875188e-01 -7.561333e-09 9.684419e-01 5.985530e-01 0.004395 0.001132 True md_ensemble 5 414 420 @@ -43164,91 +43164,91 @@ OD2_GB1_47 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- H_GB1_48 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 414 488 H_GB1_48 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 414 490 H_GB1_48 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 414 491 - CA_GB1_48 CB_GB1_49 1 0.000000e+00 6.555506e-05 ; 3.992199e-01 -6.555506e-05 1.000000e+00 9.999896e-01 0.004395 0.001132 True md_ensemble 4 415 422 - CA_GB1_48 OG1_GB1_49 1 0.000000e+00 5.079628e-06 ; 3.225876e-01 -5.079628e-06 8.488794e-01 7.344896e-01 0.004395 0.001132 True md_ensemble 5 415 423 - CA_GB1_48 CG2_GB1_49 1 0.000000e+00 1.899866e-05 ; 3.600714e-01 -1.899866e-05 9.519784e-01 7.523293e-01 0.004395 0.001132 True md_ensemble 5 415 424 - CA_GB1_48 C_GB1_49 1 0.000000e+00 1.305194e-05 ; 3.489806e-01 -1.305194e-05 9.999945e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 415 425 + CA_GB1_48 CB_GB1_49 1 0.000000e+00 6.555554e-05 ; 3.992201e-01 -6.555554e-05 1.000000e+00 9.999896e-01 0.004395 0.001132 True md_ensemble 4 415 422 + CA_GB1_48 OG1_GB1_49 1 0.000000e+00 5.079611e-06 ; 3.225875e-01 -5.079611e-06 8.488794e-01 7.344896e-01 0.004395 0.001132 True md_ensemble 5 415 423 + CA_GB1_48 CG2_GB1_49 1 0.000000e+00 1.899865e-05 ; 3.600713e-01 -1.899865e-05 9.519784e-01 7.523293e-01 0.004395 0.001132 True md_ensemble 5 415 424 + CA_GB1_48 C_GB1_49 1 0.000000e+00 1.305187e-05 ; 3.489804e-01 -1.305187e-05 9.999945e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 415 425 CA_GB1_48 O_GB1_49 1 0.000000e+00 4.153495e-06 ; 3.172216e-01 -4.153495e-06 6.022250e-05 4.292241e-01 0.004395 0.001132 True md_ensemble 5 415 426 - CA_GB1_48 N_GB1_50 1 0.000000e+00 4.829734e-06 ; 3.212343e-01 -4.829734e-06 9.999993e-01 6.375884e-01 0.004395 0.001132 True md_ensemble 5 415 427 - CA_GB1_48 CA_GB1_50 1 0.000000e+00 4.102410e-05 ; 3.839266e-01 -4.102410e-05 9.999971e-01 6.257867e-01 0.004395 0.001132 True md_ensemble 6 415 429 - CA_GB1_48 CB_GB1_50 1 0.000000e+00 3.590691e-05 ; 3.796877e-01 -3.590691e-05 1.191124e-01 2.477760e-01 0.004395 0.007117 True md_ensemble 7 415 430 + CA_GB1_48 N_GB1_50 1 0.000000e+00 4.829727e-06 ; 3.212343e-01 -4.829727e-06 9.999993e-01 6.375884e-01 0.004395 0.001132 True md_ensemble 5 415 427 + CA_GB1_48 CA_GB1_50 1 0.000000e+00 4.102440e-05 ; 3.839269e-01 -4.102440e-05 9.999971e-01 6.257867e-01 0.004395 0.001132 True md_ensemble 6 415 429 + CA_GB1_48 CB_GB1_50 1 0.000000e+00 3.590676e-05 ; 3.796875e-01 -3.590676e-05 1.191124e-01 2.477760e-01 0.004395 0.007117 True md_ensemble 7 415 430 CA_GB1_48 CG_GB1_50 1 1.142724e-02 1.897452e-04 ; 5.050932e-01 1.720490e-01 8.282637e-01 1.855344e-01 0.004395 0.007117 True md_ensemble 7 415 431 CA_GB1_48 CD_GB1_50 1 1.245827e-02 1.728539e-04 ; 4.901965e-01 2.244793e-01 7.992084e-01 6.479754e-02 0.004395 0.007117 True md_ensemble 7 415 432 CA_GB1_48 CE_GB1_50 1 1.037446e-02 1.195976e-04 ; 4.752909e-01 2.249824e-01 7.825286e-01 6.282957e-02 0.004395 0.007117 True md_ensemble 7 415 433 CA_GB1_48 NZ_GB1_50 1 3.781716e-03 1.725339e-05 ; 4.072530e-01 2.072256e-01 2.477927e-01 3.345675e-02 0.004395 0.008482 True md_ensemble 7 415 434 - CB_GB1_48 C_GB1_48 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 417 + CB_GB1_48 C_GB1_48 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 417 CB_GB1_48 O_GB1_48 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 418 - CB_GB1_48 N_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 419 - CB_GB1_48 CA_GB1_49 1 0.000000e+00 2.373791e-05 ; 3.668162e-01 -2.373791e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 416 421 - CB_GB1_48 CB_GB1_49 1 0.000000e+00 1.926703e-05 ; 3.604925e-01 -1.926703e-05 9.998794e-01 8.115360e-01 0.004395 0.001132 True md_ensemble 5 416 422 - CB_GB1_48 OG1_GB1_49 1 0.000000e+00 2.081930e-06 ; 2.994796e-01 -2.081930e-06 8.712717e-02 8.953654e-02 0.004395 0.001132 True md_ensemble 6 416 423 - CB_GB1_48 CG2_GB1_49 1 0.000000e+00 2.797212e-06 ; 3.069414e-01 -2.797212e-06 9.371922e-01 2.626174e-01 0.004395 0.001132 True md_ensemble 6 416 424 - CB_GB1_48 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 425 + CB_GB1_48 N_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 419 + CB_GB1_48 CA_GB1_49 1 0.000000e+00 2.373790e-05 ; 3.668162e-01 -2.373790e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 416 421 + CB_GB1_48 CB_GB1_49 1 0.000000e+00 1.926702e-05 ; 3.604925e-01 -1.926702e-05 9.998794e-01 8.115360e-01 0.004395 0.001132 True md_ensemble 5 416 422 + CB_GB1_48 OG1_GB1_49 1 0.000000e+00 2.081907e-06 ; 2.994793e-01 -2.081907e-06 8.712717e-02 8.953654e-02 0.004395 0.001132 True md_ensemble 6 416 423 + CB_GB1_48 CG2_GB1_49 1 0.000000e+00 2.797189e-06 ; 3.069412e-01 -2.797189e-06 9.371922e-01 2.626174e-01 0.004395 0.001132 True md_ensemble 6 416 424 + CB_GB1_48 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 425 CB_GB1_48 O_GB1_49 1 0.000000e+00 1.503992e-06 ; 2.914733e-01 -1.503992e-06 0.000000e+00 5.740661e-02 0.004395 0.001132 True md_ensemble 6 416 426 - CB_GB1_48 N_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 427 - CB_GB1_48 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 434 - CB_GB1_48 C_GB1_50 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 435 + CB_GB1_48 N_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 427 + CB_GB1_48 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 434 + CB_GB1_48 C_GB1_50 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 435 CB_GB1_48 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 436 - CB_GB1_48 N_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 437 - CB_GB1_48 OG1_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 441 - CB_GB1_48 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 443 + CB_GB1_48 N_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 437 + CB_GB1_48 OG1_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 441 + CB_GB1_48 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 443 CB_GB1_48 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 444 - CB_GB1_48 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 445 - CB_GB1_48 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 455 + CB_GB1_48 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 445 + CB_GB1_48 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 455 CB_GB1_48 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 456 - CB_GB1_48 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 457 - CB_GB1_48 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 461 - CB_GB1_48 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 463 + CB_GB1_48 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 457 + CB_GB1_48 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 461 + CB_GB1_48 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 463 CB_GB1_48 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 464 - CB_GB1_48 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 465 - CB_GB1_48 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 471 + CB_GB1_48 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 465 + CB_GB1_48 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 471 CB_GB1_48 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 472 - CB_GB1_48 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 473 - CB_GB1_48 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 477 - CB_GB1_48 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 479 + CB_GB1_48 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 473 + CB_GB1_48 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 477 + CB_GB1_48 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 479 CB_GB1_48 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 480 - CB_GB1_48 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 481 - CB_GB1_48 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 486 + CB_GB1_48 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 481 + CB_GB1_48 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 486 CB_GB1_48 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 487 CB_GB1_48 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 488 - CB_GB1_48 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 489 + CB_GB1_48 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 489 CB_GB1_48 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 490 CB_GB1_48 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 416 491 - C_GB1_48 CB_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 417 422 - C_GB1_48 OG1_GB1_49 1 0.000000e+00 9.972715e-07 ; 2.816628e-01 -9.972715e-07 9.980110e-01 8.713086e-01 0.004395 0.001132 True md_ensemble 4 417 423 - C_GB1_48 CG2_GB1_49 1 0.000000e+00 4.694251e-06 ; 3.204736e-01 -4.694251e-06 9.999476e-01 9.932054e-01 0.004395 0.001132 True md_ensemble 4 417 424 - C_GB1_48 O_GB1_49 1 0.000000e+00 1.044224e-06 ; 2.827447e-01 -1.044224e-06 5.869168e-01 8.496686e-01 0.004395 0.001132 True md_ensemble 4 417 426 - C_GB1_48 N_GB1_50 1 0.000000e+00 1.455605e-06 ; 2.906801e-01 -1.455605e-06 9.999981e-01 9.651582e-01 0.004395 0.001132 True md_ensemble 4 417 427 - C_GB1_48 CA_GB1_50 1 0.000000e+00 1.097090e-05 ; 3.439657e-01 -1.097090e-05 9.999831e-01 8.405452e-01 0.004395 0.001132 True md_ensemble 5 417 429 - C_GB1_48 CB_GB1_50 1 0.000000e+00 6.108290e-06 ; 3.275832e-01 -6.108290e-06 2.613695e-01 2.257407e-01 0.004395 0.001132 True md_ensemble 6 417 430 + C_GB1_48 CB_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 417 422 + C_GB1_48 OG1_GB1_49 1 0.000000e+00 9.972557e-07 ; 2.816624e-01 -9.972557e-07 9.980110e-01 8.713086e-01 0.004395 0.001132 True md_ensemble 4 417 423 + C_GB1_48 CG2_GB1_49 1 0.000000e+00 4.694190e-06 ; 3.204732e-01 -4.694190e-06 9.999476e-01 9.932054e-01 0.004395 0.001132 True md_ensemble 4 417 424 + C_GB1_48 O_GB1_49 1 0.000000e+00 1.044219e-06 ; 2.827446e-01 -1.044219e-06 5.869168e-01 8.496686e-01 0.004395 0.001132 True md_ensemble 4 417 426 + C_GB1_48 N_GB1_50 1 0.000000e+00 1.455584e-06 ; 2.906798e-01 -1.455584e-06 9.999981e-01 9.651582e-01 0.004395 0.001132 True md_ensemble 4 417 427 + C_GB1_48 CA_GB1_50 1 0.000000e+00 1.097085e-05 ; 3.439656e-01 -1.097085e-05 9.999831e-01 8.405452e-01 0.004395 0.001132 True md_ensemble 5 417 429 + C_GB1_48 CB_GB1_50 1 0.000000e+00 6.108187e-06 ; 3.275828e-01 -6.108187e-06 2.613695e-01 2.257407e-01 0.004395 0.001132 True md_ensemble 6 417 430 C_GB1_48 CG_GB1_50 1 1.950235e-03 1.215285e-05 ; 4.289749e-01 7.824129e-02 8.007130e-01 1.757291e-01 0.004395 0.001132 True md_ensemble 7 417 431 C_GB1_48 CD_GB1_50 1 2.597953e-03 1.277302e-05 ; 4.123605e-01 1.321019e-01 4.099716e-01 3.167550e-02 0.004395 0.001132 True md_ensemble 7 417 432 C_GB1_48 CE_GB1_50 1 3.024893e-03 1.746073e-05 ; 4.235377e-01 1.310079e-01 3.341216e-01 2.636836e-02 0.004395 0.001132 True md_ensemble 7 417 433 C_GB1_48 NZ_GB1_50 1 1.454926e-03 2.757502e-06 ; 3.517865e-01 1.919136e-01 6.771590e-02 1.680009e-02 0.004395 0.011584 True md_ensemble 7 417 434 C_GB1_48 C_GB1_50 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 0.000000e+00 1.429781e-01 0.004395 0.001132 True md_ensemble 6 417 435 - C_GB1_48 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 417 440 - C_GB1_48 CG2_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 417 442 - C_GB1_48 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 417 448 - C_GB1_48 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 417 460 - C_GB1_48 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 417 462 - C_GB1_48 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 417 468 - C_GB1_48 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 417 469 - C_GB1_48 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 417 470 - C_GB1_48 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 417 476 - C_GB1_48 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 417 478 - C_GB1_48 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 417 484 - C_GB1_48 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 417 485 + C_GB1_48 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 417 440 + C_GB1_48 CG2_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 417 442 + C_GB1_48 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 417 448 + C_GB1_48 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 417 460 + C_GB1_48 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 417 462 + C_GB1_48 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 417 468 + C_GB1_48 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 417 469 + C_GB1_48 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 417 470 + C_GB1_48 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 417 476 + C_GB1_48 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 417 478 + C_GB1_48 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 417 484 + C_GB1_48 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 417 485 O_GB1_48 O_GB1_48 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 418 418 O_GB1_48 H_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 418 420 - O_GB1_48 CB_GB1_49 1 0.000000e+00 4.153495e-06 ; 3.172216e-01 -4.153495e-06 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 418 422 - O_GB1_48 OG1_GB1_49 1 0.000000e+00 4.139012e-07 ; 2.617599e-01 -4.139012e-07 1.596758e-02 1.549171e-01 0.004395 0.001132 True md_ensemble 5 418 423 + O_GB1_48 CB_GB1_49 1 0.000000e+00 4.153528e-06 ; 3.172218e-01 -4.153528e-06 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 418 422 + O_GB1_48 OG1_GB1_49 1 0.000000e+00 4.139001e-07 ; 2.617598e-01 -4.139001e-07 1.596758e-02 1.549171e-01 0.004395 0.001132 True md_ensemble 5 418 423 O_GB1_48 CG2_GB1_49 1 0.000000e+00 8.461280e-07 ; 2.778314e-01 -8.461280e-07 9.335432e-01 4.961314e-01 0.004395 0.001132 True md_ensemble 5 418 424 - O_GB1_48 C_GB1_49 1 0.000000e+00 8.223706e-07 ; 2.771728e-01 -8.223706e-07 1.000000e+00 9.944709e-01 0.004395 0.001132 True md_ensemble 4 418 425 + O_GB1_48 C_GB1_49 1 0.000000e+00 8.223668e-07 ; 2.771727e-01 -8.223668e-07 1.000000e+00 9.944709e-01 0.004395 0.001132 True md_ensemble 4 418 425 O_GB1_48 O_GB1_49 1 0.000000e+00 1.509155e-06 ; 2.915566e-01 -1.509155e-06 7.841350e-01 7.902385e-01 0.004395 0.001132 True md_ensemble 5 418 426 O_GB1_48 N_GB1_50 1 0.000000e+00 1.324404e-06 ; 2.884010e-01 -1.324404e-06 9.966709e-01 8.796068e-01 0.004395 0.001132 True md_ensemble 5 418 427 - O_GB1_48 H_GB1_50 1 0.000000e+00 1.684035e-08 ; 2.004584e-01 -1.684035e-08 8.812101e-02 1.734608e-01 0.004395 0.001132 True md_ensemble 6 418 428 - O_GB1_48 CA_GB1_50 1 0.000000e+00 4.787019e-06 ; 3.209966e-01 -4.787019e-06 3.886970e-01 5.412250e-01 0.004395 0.001132 True md_ensemble 6 418 429 - O_GB1_48 CB_GB1_50 1 0.000000e+00 2.114707e-06 ; 2.998697e-01 -2.114707e-06 5.802381e-02 1.071644e-01 0.004395 0.007862 True md_ensemble 7 418 430 + O_GB1_48 H_GB1_50 1 0.000000e+00 1.684062e-08 ; 2.004587e-01 -1.684062e-08 8.812101e-02 1.734608e-01 0.004395 0.001132 True md_ensemble 6 418 428 + O_GB1_48 CA_GB1_50 1 0.000000e+00 4.787057e-06 ; 3.209968e-01 -4.787057e-06 3.886970e-01 5.412250e-01 0.004395 0.001132 True md_ensemble 6 418 429 + O_GB1_48 CB_GB1_50 1 0.000000e+00 2.114699e-06 ; 2.998696e-01 -2.114699e-06 5.802381e-02 1.071644e-01 0.004395 0.007862 True md_ensemble 7 418 430 O_GB1_48 CG_GB1_50 1 1.359470e-03 3.005649e-06 ; 3.609343e-01 1.537238e-01 4.074346e-01 1.438177e-01 0.004395 0.007862 True md_ensemble 7 418 431 O_GB1_48 CD_GB1_50 1 8.643747e-04 1.166117e-06 ; 3.324095e-01 1.601776e-01 1.653256e-01 5.149515e-02 0.004395 0.007862 True md_ensemble 7 418 432 O_GB1_48 CE_GB1_50 1 1.113467e-03 1.711208e-06 ; 3.397068e-01 1.811306e-01 1.979383e-01 4.107471e-02 0.004395 0.007862 True md_ensemble 7 418 433 @@ -43281,36 +43281,36 @@ OD2_GB1_47 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- O_GB1_48 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 418 488 O_GB1_48 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 418 490 O_GB1_48 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 418 491 - N_GB1_49 CB_GB1_49 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 419 422 - N_GB1_49 CG2_GB1_49 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 419 424 - N_GB1_49 CA_GB1_50 1 0.000000e+00 7.574514e-06 ; 3.335093e-01 -7.574514e-06 9.999996e-01 9.999361e-01 0.004395 0.001132 True md_ensemble 4 419 429 - N_GB1_49 CB_GB1_50 1 0.000000e+00 2.614570e-06 ; 3.052191e-01 -2.614570e-06 6.629802e-01 3.742186e-01 0.004395 0.001132 True md_ensemble 5 419 430 - N_GB1_49 CG_GB1_50 1 0.000000e+00 1.767730e-06 ; 2.954244e-01 -1.767730e-06 7.198495e-01 2.007229e-01 0.004395 0.001132 True md_ensemble 6 419 431 + N_GB1_49 CB_GB1_49 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 419 422 + N_GB1_49 CG2_GB1_49 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 419 424 + N_GB1_49 CA_GB1_50 1 0.000000e+00 7.574502e-06 ; 3.335092e-01 -7.574502e-06 9.999996e-01 9.999361e-01 0.004395 0.001132 True md_ensemble 4 419 429 + N_GB1_49 CB_GB1_50 1 0.000000e+00 2.614536e-06 ; 3.052188e-01 -2.614536e-06 6.629802e-01 3.742186e-01 0.004395 0.001132 True md_ensemble 5 419 430 + N_GB1_49 CG_GB1_50 1 0.000000e+00 1.767707e-06 ; 2.954241e-01 -1.767707e-06 7.198495e-01 2.007229e-01 0.004395 0.001132 True md_ensemble 6 419 431 N_GB1_49 CD_GB1_50 1 2.983587e-03 1.609782e-05 ; 4.187981e-01 1.382453e-01 1.167328e-01 8.006590e-03 0.004395 0.001132 True md_ensemble 7 419 432 N_GB1_49 CE_GB1_50 1 2.157578e-03 1.524406e-05 ; 4.380487e-01 7.634355e-02 1.508578e-02 3.434865e-03 0.004395 0.001132 True md_ensemble 7 419 433 N_GB1_49 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 2.013722e-03 2.614035e-03 0.004395 0.001132 True md_ensemble 7 419 434 - N_GB1_49 C_GB1_50 1 0.000000e+00 1.597278e-06 ; 2.929387e-01 -1.597278e-06 1.253886e-02 7.163754e-02 0.004395 0.001132 True md_ensemble 5 419 435 + N_GB1_49 C_GB1_50 1 0.000000e+00 1.597256e-06 ; 2.929383e-01 -1.597256e-06 1.253886e-02 7.163754e-02 0.004395 0.001132 True md_ensemble 5 419 435 N_GB1_49 O_GB1_50 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 0.000000e+00 8.119722e-02 0.004395 0.001132 True md_ensemble 6 419 436 - N_GB1_49 N_GB1_51 1 0.000000e+00 9.520807e-07 ; 2.805764e-01 -9.520807e-07 1.011982e-02 9.784660e-02 0.004395 0.001132 True md_ensemble 6 419 437 - N_GB1_49 CB_GB1_51 1 0.000000e+00 7.677622e-06 ; 3.338852e-01 -7.677622e-06 1.974293e-02 3.329103e-02 0.004395 0.001132 True md_ensemble 7 419 440 - N_GB1_49 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 419 442 + N_GB1_49 N_GB1_51 1 0.000000e+00 9.520707e-07 ; 2.805762e-01 -9.520707e-07 1.011982e-02 9.784660e-02 0.004395 0.001132 True md_ensemble 6 419 437 + N_GB1_49 CB_GB1_51 1 0.000000e+00 7.677610e-06 ; 3.338852e-01 -7.677610e-06 1.974293e-02 3.329103e-02 0.004395 0.001132 True md_ensemble 7 419 440 + N_GB1_49 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 419 442 N_GB1_49 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 7.258452e-04 0.004395 0.001132 True md_ensemble 7 419 445 - N_GB1_49 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 419 448 + N_GB1_49 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 419 448 N_GB1_49 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 419 457 - N_GB1_49 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 419 460 - N_GB1_49 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 419 462 + N_GB1_49 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 419 460 + N_GB1_49 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 419 462 N_GB1_49 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 419 465 - N_GB1_49 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 419 468 - N_GB1_49 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 419 469 - N_GB1_49 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 419 470 + N_GB1_49 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 419 468 + N_GB1_49 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 419 469 + N_GB1_49 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 419 470 N_GB1_49 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 419 473 - N_GB1_49 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 419 476 - N_GB1_49 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 419 478 + N_GB1_49 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 419 476 + N_GB1_49 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 419 478 N_GB1_49 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 419 481 - N_GB1_49 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 419 484 - N_GB1_49 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 419 485 + N_GB1_49 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 419 484 + N_GB1_49 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 419 485 H_GB1_49 H_GB1_49 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 420 420 - H_GB1_49 OG1_GB1_49 1 0.000000e+00 1.649183e-08 ; 2.001094e-01 -1.649183e-08 9.991205e-01 7.687962e-01 0.004395 0.001132 True md_ensemble 4 420 423 + H_GB1_49 OG1_GB1_49 1 0.000000e+00 1.649190e-08 ; 2.001094e-01 -1.649190e-08 9.991205e-01 7.687962e-01 0.004395 0.001132 True md_ensemble 4 420 423 H_GB1_49 O_GB1_49 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 420 426 H_GB1_49 H_GB1_50 1 0.000000e+00 5.753008e-09 ; 1.832960e-01 -5.753008e-09 9.997646e-01 4.791819e-01 0.004395 0.001132 True md_ensemble 5 420 428 H_GB1_49 O_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 420 436 @@ -43332,66 +43332,66 @@ OD2_GB1_47 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e- H_GB1_49 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 420 488 H_GB1_49 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 420 490 H_GB1_49 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 420 491 - CA_GB1_49 CB_GB1_50 1 0.000000e+00 3.181365e-05 ; 3.758773e-01 -3.181365e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 421 430 - CA_GB1_49 CG_GB1_50 1 0.000000e+00 2.725575e-05 ; 3.710649e-01 -2.725575e-05 9.999672e-01 8.566983e-01 0.004395 0.001132 True md_ensemble 5 421 431 - CA_GB1_49 CD_GB1_50 1 0.000000e+00 1.131543e-05 ; 3.448532e-01 -1.131543e-05 9.388756e-01 2.945541e-01 0.004395 0.001132 True md_ensemble 6 421 432 + CA_GB1_49 CB_GB1_50 1 0.000000e+00 3.181352e-05 ; 3.758772e-01 -3.181352e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 421 430 + CA_GB1_49 CG_GB1_50 1 0.000000e+00 2.725563e-05 ; 3.710647e-01 -2.725563e-05 9.999672e-01 8.566983e-01 0.004395 0.001132 True md_ensemble 5 421 431 + CA_GB1_49 CD_GB1_50 1 0.000000e+00 1.131538e-05 ; 3.448531e-01 -1.131538e-05 9.388756e-01 2.945541e-01 0.004395 0.001132 True md_ensemble 6 421 432 CA_GB1_49 CE_GB1_50 1 1.183731e-02 2.140166e-04 ; 5.123095e-01 1.636810e-01 3.235843e-01 8.524808e-02 0.004395 0.007117 True md_ensemble 7 421 433 CA_GB1_49 NZ_GB1_50 1 2.507876e-03 1.782525e-05 ; 4.384852e-01 8.820972e-02 2.060367e-02 2.793910e-02 0.004395 0.008482 True md_ensemble 7 421 434 - CA_GB1_49 C_GB1_50 1 0.000000e+00 1.305180e-05 ; 3.489803e-01 -1.305180e-05 9.999981e-01 9.999932e-01 0.004395 0.001132 True md_ensemble 4 421 435 - CA_GB1_49 O_GB1_50 1 0.000000e+00 5.150678e-06 ; 3.229612e-01 -5.150678e-06 4.713414e-02 2.872172e-01 0.004395 0.001132 True md_ensemble 5 421 436 - CA_GB1_49 N_GB1_51 1 0.000000e+00 5.810502e-06 ; 3.262217e-01 -5.810502e-06 1.000000e+00 7.670635e-01 0.004395 0.001132 True md_ensemble 5 421 437 - CA_GB1_49 CA_GB1_51 1 0.000000e+00 4.918566e-05 ; 3.897758e-01 -4.918566e-05 9.999970e-01 7.502846e-01 0.004395 0.001132 True md_ensemble 6 421 439 + CA_GB1_49 C_GB1_50 1 0.000000e+00 1.305173e-05 ; 3.489801e-01 -1.305173e-05 9.999981e-01 9.999932e-01 0.004395 0.001132 True md_ensemble 4 421 435 + CA_GB1_49 O_GB1_50 1 0.000000e+00 5.150719e-06 ; 3.229614e-01 -5.150719e-06 4.713414e-02 2.872172e-01 0.004395 0.001132 True md_ensemble 5 421 436 + CA_GB1_49 N_GB1_51 1 0.000000e+00 5.810493e-06 ; 3.262216e-01 -5.810493e-06 1.000000e+00 7.670635e-01 0.004395 0.001132 True md_ensemble 5 421 437 + CA_GB1_49 CA_GB1_51 1 0.000000e+00 4.918602e-05 ; 3.897760e-01 -4.918602e-05 9.999970e-01 7.502846e-01 0.004395 0.001132 True md_ensemble 6 421 439 CA_GB1_49 CB_GB1_51 1 4.571690e-03 4.058718e-05 ; 4.550426e-01 1.287374e-01 1.000000e+00 4.719589e-01 0.004395 0.006476 True md_ensemble 7 421 440 CA_GB1_49 OG1_GB1_51 1 2.608018e-03 8.349269e-06 ; 3.839043e-01 2.036633e-01 9.968747e-01 1.442198e-01 0.004395 0.008483 True md_ensemble 7 421 441 - CA_GB1_49 CG2_GB1_51 1 0.000000e+00 2.726953e-05 ; 3.710805e-01 -2.726953e-05 9.792887e-03 1.585682e-01 0.004395 0.010759 True md_ensemble 7 421 442 - CB_GB1_49 OG1_GB1_49 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 422 423 - CB_GB1_49 C_GB1_49 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 422 425 + CA_GB1_49 CG2_GB1_51 1 0.000000e+00 2.726951e-05 ; 3.710805e-01 -2.726951e-05 9.792887e-03 1.585682e-01 0.004395 0.010759 True md_ensemble 7 421 442 + CB_GB1_49 OG1_GB1_49 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 422 423 + CB_GB1_49 C_GB1_49 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 422 425 CB_GB1_49 O_GB1_49 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 422 426 - CB_GB1_49 N_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 422 427 - CB_GB1_49 CA_GB1_50 1 0.000000e+00 6.555573e-05 ; 3.992202e-01 -6.555573e-05 9.999958e-01 9.999956e-01 0.004395 0.001132 True md_ensemble 4 422 429 - CB_GB1_49 CB_GB1_50 1 0.000000e+00 2.943007e-05 ; 3.734458e-01 -2.943007e-05 9.996257e-01 9.247025e-01 0.004395 0.001132 True md_ensemble 5 422 430 - CB_GB1_49 CG_GB1_50 1 0.000000e+00 2.983377e-05 ; 3.738701e-01 -2.983377e-05 5.489558e-01 4.867222e-01 0.004395 0.001132 True md_ensemble 6 422 431 - CB_GB1_49 CD_GB1_50 1 0.000000e+00 3.518670e-05 ; 3.790471e-01 -3.518670e-05 1.649315e-02 1.225182e-01 0.004395 0.007117 True md_ensemble 7 422 432 - CB_GB1_49 NZ_GB1_50 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 422 434 - CB_GB1_49 C_GB1_50 1 0.000000e+00 7.751353e-06 ; 3.341513e-01 -7.751353e-06 9.999831e-01 5.938716e-01 0.004395 0.001132 True md_ensemble 5 422 435 + CB_GB1_49 N_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 422 427 + CB_GB1_49 CA_GB1_50 1 0.000000e+00 6.555621e-05 ; 3.992205e-01 -6.555621e-05 9.999958e-01 9.999956e-01 0.004395 0.001132 True md_ensemble 4 422 429 + CB_GB1_49 CB_GB1_50 1 0.000000e+00 2.942995e-05 ; 3.734457e-01 -2.942995e-05 9.996257e-01 9.247025e-01 0.004395 0.001132 True md_ensemble 5 422 430 + CB_GB1_49 CG_GB1_50 1 0.000000e+00 2.983365e-05 ; 3.738699e-01 -2.983365e-05 5.489558e-01 4.867222e-01 0.004395 0.001132 True md_ensemble 6 422 431 + CB_GB1_49 CD_GB1_50 1 0.000000e+00 3.518655e-05 ; 3.790470e-01 -3.518655e-05 1.649315e-02 1.225182e-01 0.004395 0.007117 True md_ensemble 7 422 432 + CB_GB1_49 NZ_GB1_50 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 422 434 + CB_GB1_49 C_GB1_50 1 0.000000e+00 7.751312e-06 ; 3.341511e-01 -7.751312e-06 9.999831e-01 5.938716e-01 0.004395 0.001132 True md_ensemble 5 422 435 CB_GB1_49 O_GB1_50 1 0.000000e+00 4.153495e-06 ; 3.172216e-01 -4.153495e-06 4.200955e-03 1.103290e-01 0.004395 0.001132 True md_ensemble 6 422 436 - CB_GB1_49 N_GB1_51 1 0.000000e+00 2.512284e-06 ; 3.042057e-01 -2.512284e-06 9.994675e-01 3.311224e-01 0.004395 0.001132 True md_ensemble 6 422 437 + CB_GB1_49 N_GB1_51 1 0.000000e+00 2.512280e-06 ; 3.042057e-01 -2.512280e-06 9.994675e-01 3.311224e-01 0.004395 0.001132 True md_ensemble 6 422 437 CB_GB1_49 CA_GB1_51 1 4.955354e-03 4.267069e-05 ; 4.527333e-01 1.438665e-01 9.999943e-01 3.520017e-01 0.004395 0.006476 True md_ensemble 7 422 439 CB_GB1_49 CB_GB1_51 1 2.236275e-03 7.904624e-06 ; 3.902947e-01 1.581646e-01 1.000000e+00 2.668006e-01 0.004395 0.006476 True md_ensemble 7 422 440 CB_GB1_49 OG1_GB1_51 1 3.625883e-04 3.151848e-07 ; 3.089289e-01 1.042803e-01 9.998840e-01 1.324709e-01 0.004395 0.001132 True md_ensemble 7 422 441 CB_GB1_49 CG2_GB1_51 1 9.398510e-03 1.016464e-04 ; 4.702609e-01 2.172530e-01 8.604778e-01 1.213271e-01 0.004395 0.010759 True md_ensemble 7 422 442 - CB_GB1_49 C_GB1_51 1 0.000000e+00 1.485221e-05 ; 3.527586e-01 -1.485221e-05 1.096276e-02 1.489007e-01 0.004395 0.001132 True md_ensemble 7 422 443 + CB_GB1_49 C_GB1_51 1 0.000000e+00 1.485214e-05 ; 3.527584e-01 -1.485214e-05 1.096276e-02 1.489007e-01 0.004395 0.001132 True md_ensemble 7 422 443 CB_GB1_49 O_GB1_51 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 1.164072e-03 1.441528e-01 0.004395 0.007862 True md_ensemble 7 422 444 - CB_GB1_49 N_GB1_52 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 422 445 - CB_GB1_49 C_GB1_52 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 422 455 + CB_GB1_49 N_GB1_52 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 422 445 + CB_GB1_49 C_GB1_52 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 422 455 CB_GB1_49 O_GB1_52 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.576660e-02 0.004395 0.007862 True md_ensemble 7 422 456 - CB_GB1_49 N_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 422 457 - CB_GB1_49 OG1_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 422 461 - CB_GB1_49 C_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 422 463 + CB_GB1_49 N_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 422 457 + CB_GB1_49 OG1_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 422 461 + CB_GB1_49 C_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 422 463 CB_GB1_49 O_GB1_53 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 4.802306e-03 0.004395 0.007862 True md_ensemble 7 422 464 - CB_GB1_49 N_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 422 465 - CB_GB1_49 C_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 422 471 + CB_GB1_49 N_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 422 465 + CB_GB1_49 C_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 422 471 CB_GB1_49 O_GB1_54 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 3.834763e-03 0.004395 0.007862 True md_ensemble 7 422 472 - CB_GB1_49 N_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 422 473 - CB_GB1_49 OG1_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 422 477 - CB_GB1_49 C_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 422 479 + CB_GB1_49 N_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 422 473 + CB_GB1_49 OG1_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 422 477 + CB_GB1_49 C_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 422 479 CB_GB1_49 O_GB1_55 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.579582e-03 0.004395 0.007862 True md_ensemble 7 422 480 - CB_GB1_49 N_GB1_56 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 422 481 - CB_GB1_49 CD_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 422 486 - CB_GB1_49 OE1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 422 487 - CB_GB1_49 OE2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 422 488 - CB_GB1_49 C_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 422 489 - CB_GB1_49 O1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 422 490 - CB_GB1_49 O2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 422 491 -OG1_GB1_49 CG2_GB1_49 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 423 424 -OG1_GB1_49 O_GB1_49 1 0.000000e+00 2.810808e-07 ; 2.534531e-01 -2.810808e-07 9.482024e-01 7.216644e-01 0.004395 0.001132 True md_ensemble 4 423 426 -OG1_GB1_49 N_GB1_50 1 0.000000e+00 5.072102e-07 ; 2.662323e-01 -5.072102e-07 9.618145e-01 7.271063e-01 0.004395 0.001132 True md_ensemble 4 423 427 -OG1_GB1_49 H_GB1_50 1 0.000000e+00 2.121907e-08 ; 2.043567e-01 -2.121907e-08 1.723878e-01 1.626846e-01 0.004395 0.001132 True md_ensemble 5 423 428 -OG1_GB1_49 CA_GB1_50 1 0.000000e+00 3.634882e-06 ; 3.137154e-01 -3.634882e-06 9.433545e-01 5.770798e-01 0.004395 0.001132 True md_ensemble 5 423 429 -OG1_GB1_49 CB_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 423 430 -OG1_GB1_49 CG_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 423 431 -OG1_GB1_49 CD_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 423 432 -OG1_GB1_49 CE_GB1_50 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 423 433 + CB_GB1_49 N_GB1_56 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 422 481 + CB_GB1_49 CD_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 422 486 + CB_GB1_49 OE1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 422 487 + CB_GB1_49 OE2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 422 488 + CB_GB1_49 C_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 422 489 + CB_GB1_49 O1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 422 490 + CB_GB1_49 O2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 422 491 +OG1_GB1_49 CG2_GB1_49 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 423 424 +OG1_GB1_49 O_GB1_49 1 0.000000e+00 2.810800e-07 ; 2.534530e-01 -2.810800e-07 9.482024e-01 7.216644e-01 0.004395 0.001132 True md_ensemble 4 423 426 +OG1_GB1_49 N_GB1_50 1 0.000000e+00 5.072040e-07 ; 2.662320e-01 -5.072040e-07 9.618145e-01 7.271063e-01 0.004395 0.001132 True md_ensemble 4 423 427 +OG1_GB1_49 H_GB1_50 1 0.000000e+00 2.121917e-08 ; 2.043568e-01 -2.121917e-08 1.723878e-01 1.626846e-01 0.004395 0.001132 True md_ensemble 5 423 428 +OG1_GB1_49 CA_GB1_50 1 0.000000e+00 3.634870e-06 ; 3.137153e-01 -3.634870e-06 9.433545e-01 5.770798e-01 0.004395 0.001132 True md_ensemble 5 423 429 +OG1_GB1_49 CB_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 423 430 +OG1_GB1_49 CG_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 423 431 +OG1_GB1_49 CD_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 423 432 +OG1_GB1_49 CE_GB1_50 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 423 433 OG1_GB1_49 C_GB1_50 1 1.488549e-03 5.015837e-06 ; 3.871953e-01 1.104391e-01 4.971871e-01 5.845832e-02 0.004395 0.001132 True md_ensemble 6 423 435 OG1_GB1_49 N_GB1_51 1 8.879337e-04 8.308164e-07 ; 3.127429e-01 2.372445e-01 8.994374e-01 9.268395e-02 0.004395 0.011584 True md_ensemble 7 423 437 OG1_GB1_49 H_GB1_51 1 6.431126e-05 4.076650e-09 ; 1.996807e-01 2.536358e-01 4.295028e-01 5.761857e-02 0.004395 0.020721 True md_ensemble 7 423 438 @@ -43399,92 +43399,92 @@ OG1_GB1_49 CA_GB1_51 1 2.154263e-03 5.431490e-06 ; 3.689238e-01 2.136085e- OG1_GB1_49 CB_GB1_51 1 3.610469e-04 2.637636e-07 ; 3.001064e-01 1.235528e-01 9.608991e-01 8.762211e-02 0.004395 0.001132 True md_ensemble 7 423 440 OG1_GB1_49 OG1_GB1_51 1 2.344350e-04 5.146129e-08 ; 2.456083e-01 2.669956e-01 9.433323e-01 5.460802e-02 0.004395 0.011584 True md_ensemble 7 423 441 OG1_GB1_49 CG2_GB1_51 1 2.151415e-03 7.956202e-06 ; 3.932454e-01 1.454395e-01 6.675418e-01 3.982651e-02 0.004395 0.001132 True md_ensemble 7 423 442 -OG1_GB1_49 C_GB1_51 1 0.000000e+00 1.188363e-06 ; 2.858078e-01 -1.188363e-06 1.205146e-02 5.268554e-02 0.004395 0.011584 True md_ensemble 7 423 443 -OG1_GB1_49 O_GB1_51 1 0.000000e+00 3.881699e-07 ; 2.603635e-01 -3.881699e-07 5.043140e-03 7.318660e-02 0.004395 0.011584 True md_ensemble 7 423 444 +OG1_GB1_49 C_GB1_51 1 0.000000e+00 1.188344e-06 ; 2.858074e-01 -1.188344e-06 1.205146e-02 5.268554e-02 0.004395 0.011584 True md_ensemble 7 423 443 +OG1_GB1_49 O_GB1_51 1 0.000000e+00 3.881688e-07 ; 2.603635e-01 -3.881688e-07 5.043140e-03 7.318660e-02 0.004395 0.011584 True md_ensemble 7 423 444 OG1_GB1_49 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 423 446 -OG1_GB1_49 CB_GB1_52 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 423 448 +OG1_GB1_49 CB_GB1_52 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 423 448 OG1_GB1_49 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 423 458 -OG1_GB1_49 CB_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 423 460 -OG1_GB1_49 CG2_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 423 462 +OG1_GB1_49 CB_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 423 460 +OG1_GB1_49 CG2_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 423 462 OG1_GB1_49 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 423 466 -OG1_GB1_49 CB_GB1_54 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 423 468 -OG1_GB1_49 CG1_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 423 469 -OG1_GB1_49 CG2_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 423 470 +OG1_GB1_49 CB_GB1_54 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 423 468 +OG1_GB1_49 CG1_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 423 469 +OG1_GB1_49 CG2_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 423 470 OG1_GB1_49 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 423 474 -OG1_GB1_49 CB_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 423 476 -OG1_GB1_49 CG2_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 423 478 +OG1_GB1_49 CB_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 423 476 +OG1_GB1_49 CG2_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 423 478 OG1_GB1_49 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 423 482 -OG1_GB1_49 CB_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 423 484 -OG1_GB1_49 CG_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 423 485 -CG2_GB1_49 C_GB1_49 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 424 425 +OG1_GB1_49 CB_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 423 484 +OG1_GB1_49 CG_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 423 485 +CG2_GB1_49 C_GB1_49 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 424 425 CG2_GB1_49 O_GB1_49 1 0.000000e+00 1.357061e-06 ; 2.889870e-01 -1.357061e-06 9.995589e-01 9.018654e-01 0.004395 0.001132 True md_ensemble 4 424 426 -CG2_GB1_49 N_GB1_50 1 0.000000e+00 2.710398e-06 ; 3.061360e-01 -2.710398e-06 9.571094e-01 9.452503e-01 0.004395 0.001132 True md_ensemble 4 424 427 -CG2_GB1_49 CA_GB1_50 1 0.000000e+00 3.446791e-05 ; 3.783957e-01 -3.446791e-05 1.556114e-01 6.076308e-01 0.004395 0.001132 True md_ensemble 5 424 429 +CG2_GB1_49 N_GB1_50 1 0.000000e+00 2.710372e-06 ; 3.061358e-01 -2.710372e-06 9.571094e-01 9.452503e-01 0.004395 0.001132 True md_ensemble 4 424 427 +CG2_GB1_49 CA_GB1_50 1 0.000000e+00 3.446789e-05 ; 3.783957e-01 -3.446789e-05 1.556114e-01 6.076308e-01 0.004395 0.001132 True md_ensemble 5 424 429 CG2_GB1_49 CB_GB1_50 1 0.000000e+00 1.151981e-05 ; 3.453680e-01 -1.151981e-05 2.043250e-04 1.438249e-01 0.004395 0.001132 True md_ensemble 6 424 430 -CG2_GB1_49 NZ_GB1_50 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 424 434 -CG2_GB1_49 C_GB1_50 1 0.000000e+00 5.268732e-06 ; 3.235717e-01 -5.268732e-06 1.406024e-02 1.288726e-01 0.004395 0.001132 True md_ensemble 6 424 435 +CG2_GB1_49 NZ_GB1_50 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 424 434 +CG2_GB1_49 C_GB1_50 1 0.000000e+00 5.268663e-06 ; 3.235713e-01 -5.268663e-06 1.406024e-02 1.288726e-01 0.004395 0.001132 True md_ensemble 6 424 435 CG2_GB1_49 O_GB1_50 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 424 436 -CG2_GB1_49 N_GB1_51 1 0.000000e+00 2.975262e-06 ; 3.085239e-01 -2.975262e-06 2.404348e-02 1.087471e-01 0.004395 0.001132 True md_ensemble 7 424 437 +CG2_GB1_49 N_GB1_51 1 0.000000e+00 2.975234e-06 ; 3.085236e-01 -2.975234e-06 2.404348e-02 1.087471e-01 0.004395 0.001132 True md_ensemble 7 424 437 CG2_GB1_49 CA_GB1_51 1 3.345895e-03 3.720802e-05 ; 4.724480e-01 7.521907e-02 6.107277e-02 1.351152e-01 0.004395 0.010759 True md_ensemble 7 424 439 CG2_GB1_49 CB_GB1_51 1 7.125374e-03 5.866325e-05 ; 4.493586e-01 2.163661e-01 8.606698e-01 1.234585e-01 0.004395 0.010759 True md_ensemble 7 424 440 CG2_GB1_49 OG1_GB1_51 1 4.905775e-04 5.823776e-07 ; 3.253990e-01 1.033119e-01 5.136756e-01 6.934443e-02 0.004395 0.001132 True md_ensemble 7 424 441 CG2_GB1_49 CG2_GB1_51 1 1.028107e-03 3.174930e-06 ; 3.816067e-01 8.323054e-02 1.862583e-02 6.793712e-02 0.004395 0.020717 True md_ensemble 7 424 442 -CG2_GB1_49 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 424 443 +CG2_GB1_49 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 424 443 CG2_GB1_49 O_GB1_51 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 424 444 -CG2_GB1_49 N_GB1_52 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 424 445 -CG2_GB1_49 C_GB1_52 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 424 455 +CG2_GB1_49 N_GB1_52 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 424 445 +CG2_GB1_49 C_GB1_52 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 424 455 CG2_GB1_49 O_GB1_52 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 424 456 -CG2_GB1_49 N_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 424 457 -CG2_GB1_49 OG1_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 424 461 -CG2_GB1_49 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 424 463 +CG2_GB1_49 N_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 424 457 +CG2_GB1_49 OG1_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 424 461 +CG2_GB1_49 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 424 463 CG2_GB1_49 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 424 464 -CG2_GB1_49 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 424 465 -CG2_GB1_49 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 424 471 +CG2_GB1_49 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 424 465 +CG2_GB1_49 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 424 471 CG2_GB1_49 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 424 472 -CG2_GB1_49 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 424 473 -CG2_GB1_49 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 424 477 -CG2_GB1_49 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 424 479 +CG2_GB1_49 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 424 473 +CG2_GB1_49 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 424 477 +CG2_GB1_49 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 424 479 CG2_GB1_49 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 424 480 -CG2_GB1_49 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 424 481 -CG2_GB1_49 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 424 486 +CG2_GB1_49 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 424 481 +CG2_GB1_49 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 424 486 CG2_GB1_49 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 424 487 CG2_GB1_49 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 424 488 -CG2_GB1_49 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 424 489 +CG2_GB1_49 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 424 489 CG2_GB1_49 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 424 490 CG2_GB1_49 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 424 491 - C_GB1_49 CB_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 425 430 - C_GB1_49 CG_GB1_50 1 0.000000e+00 6.329910e-06 ; 3.285576e-01 -6.329910e-06 1.000000e+00 9.993604e-01 0.004395 0.001132 True md_ensemble 4 425 431 - C_GB1_49 CD_GB1_50 1 0.000000e+00 2.570578e-06 ; 3.047878e-01 -2.570578e-06 9.939519e-01 3.997924e-01 0.004395 0.001132 True md_ensemble 5 425 432 - C_GB1_49 CE_GB1_50 1 0.000000e+00 5.642614e-06 ; 3.254256e-01 -5.642614e-06 1.941440e-01 8.499476e-02 0.004395 0.001132 True md_ensemble 6 425 433 - C_GB1_49 NZ_GB1_50 1 0.000000e+00 1.522460e-06 ; 2.917699e-01 -1.522460e-06 5.259770e-03 1.474885e-02 0.004395 0.011584 True md_ensemble 7 425 434 - C_GB1_49 O_GB1_50 1 0.000000e+00 6.721450e-07 ; 2.725526e-01 -6.721450e-07 9.978385e-01 8.106456e-01 0.004395 0.001132 True md_ensemble 4 425 436 - C_GB1_49 N_GB1_51 1 0.000000e+00 1.478548e-06 ; 2.910592e-01 -1.478548e-06 1.000000e+00 9.803725e-01 0.004395 0.001132 True md_ensemble 4 425 437 - C_GB1_49 CA_GB1_51 1 0.000000e+00 1.167498e-05 ; 3.457533e-01 -1.167498e-05 9.999953e-01 8.945020e-01 0.004395 0.001132 True md_ensemble 5 425 439 - C_GB1_49 CB_GB1_51 1 0.000000e+00 5.978657e-06 ; 3.269982e-01 -5.978657e-06 1.000000e+00 4.580692e-01 0.004395 0.001132 True md_ensemble 6 425 440 + C_GB1_49 CB_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 425 430 + C_GB1_49 CG_GB1_50 1 0.000000e+00 6.329804e-06 ; 3.285571e-01 -6.329804e-06 1.000000e+00 9.993604e-01 0.004395 0.001132 True md_ensemble 4 425 431 + C_GB1_49 CD_GB1_50 1 0.000000e+00 2.570535e-06 ; 3.047874e-01 -2.570535e-06 9.939519e-01 3.997924e-01 0.004395 0.001132 True md_ensemble 5 425 432 + C_GB1_49 CE_GB1_50 1 0.000000e+00 5.642519e-06 ; 3.254251e-01 -5.642519e-06 1.941440e-01 8.499476e-02 0.004395 0.001132 True md_ensemble 6 425 433 + C_GB1_49 NZ_GB1_50 1 0.000000e+00 1.522438e-06 ; 2.917696e-01 -1.522438e-06 5.259770e-03 1.474885e-02 0.004395 0.011584 True md_ensemble 7 425 434 + C_GB1_49 O_GB1_50 1 0.000000e+00 6.721419e-07 ; 2.725524e-01 -6.721419e-07 9.978385e-01 8.106456e-01 0.004395 0.001132 True md_ensemble 4 425 436 + C_GB1_49 N_GB1_51 1 0.000000e+00 1.478527e-06 ; 2.910588e-01 -1.478527e-06 1.000000e+00 9.803725e-01 0.004395 0.001132 True md_ensemble 4 425 437 + C_GB1_49 CA_GB1_51 1 0.000000e+00 1.167492e-05 ; 3.457532e-01 -1.167492e-05 9.999953e-01 8.945020e-01 0.004395 0.001132 True md_ensemble 5 425 439 + C_GB1_49 CB_GB1_51 1 0.000000e+00 5.978626e-06 ; 3.269980e-01 -5.978626e-06 1.000000e+00 4.580692e-01 0.004395 0.001132 True md_ensemble 6 425 440 C_GB1_49 OG1_GB1_51 1 1.147142e-03 1.306090e-06 ; 3.231414e-01 2.518844e-01 9.945108e-01 7.716150e-02 0.004395 0.011584 True md_ensemble 7 425 441 - C_GB1_49 CG2_GB1_51 1 0.000000e+00 5.295657e-06 ; 3.237092e-01 -5.295657e-06 5.136615e-03 1.256461e-01 0.004395 0.001132 True md_ensemble 7 425 442 + C_GB1_49 CG2_GB1_51 1 0.000000e+00 5.295588e-06 ; 3.237088e-01 -5.295588e-06 5.136615e-03 1.256461e-01 0.004395 0.001132 True md_ensemble 7 425 442 C_GB1_49 C_GB1_51 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 6.002500e-06 2.016567e-01 0.004395 0.001132 True md_ensemble 6 425 443 - C_GB1_49 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 425 448 - C_GB1_49 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 425 460 - C_GB1_49 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 425 462 - C_GB1_49 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 425 468 - C_GB1_49 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 425 469 - C_GB1_49 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 425 470 - C_GB1_49 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 425 476 - C_GB1_49 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 425 478 - C_GB1_49 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 425 484 - C_GB1_49 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 425 485 + C_GB1_49 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 425 448 + C_GB1_49 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 425 460 + C_GB1_49 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 425 462 + C_GB1_49 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 425 468 + C_GB1_49 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 425 469 + C_GB1_49 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 425 470 + C_GB1_49 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 425 476 + C_GB1_49 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 425 478 + C_GB1_49 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 425 484 + C_GB1_49 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 425 485 O_GB1_49 O_GB1_49 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 426 426 O_GB1_49 H_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 426 428 - O_GB1_49 CB_GB1_50 1 0.000000e+00 2.015559e-06 ; 2.986721e-01 -2.015559e-06 1.000000e+00 9.999516e-01 0.004395 0.001132 True md_ensemble 4 426 430 - O_GB1_49 CG_GB1_50 1 0.000000e+00 1.263369e-06 ; 2.872693e-01 -1.263369e-06 9.995286e-01 6.263064e-01 0.004395 0.001132 True md_ensemble 5 426 431 - O_GB1_49 CD_GB1_50 1 0.000000e+00 1.924175e-06 ; 2.975195e-01 -1.924175e-06 1.748036e-01 1.294184e-01 0.004395 0.001132 True md_ensemble 6 426 432 - O_GB1_49 CE_GB1_50 1 0.000000e+00 2.069384e-06 ; 2.993287e-01 -2.069384e-06 7.227590e-03 3.388300e-02 0.004395 0.007862 True md_ensemble 7 426 433 - O_GB1_49 C_GB1_50 1 0.000000e+00 8.223905e-07 ; 2.771734e-01 -8.223905e-07 1.000000e+00 9.944949e-01 0.004395 0.001132 True md_ensemble 4 426 435 + O_GB1_49 CB_GB1_50 1 0.000000e+00 2.015551e-06 ; 2.986720e-01 -2.015551e-06 1.000000e+00 9.999516e-01 0.004395 0.001132 True md_ensemble 4 426 430 + O_GB1_49 CG_GB1_50 1 0.000000e+00 1.263364e-06 ; 2.872692e-01 -1.263364e-06 9.995286e-01 6.263064e-01 0.004395 0.001132 True md_ensemble 5 426 431 + O_GB1_49 CD_GB1_50 1 0.000000e+00 1.924168e-06 ; 2.975194e-01 -1.924168e-06 1.748036e-01 1.294184e-01 0.004395 0.001132 True md_ensemble 6 426 432 + O_GB1_49 CE_GB1_50 1 0.000000e+00 2.069377e-06 ; 2.993287e-01 -2.069377e-06 7.227590e-03 3.388300e-02 0.004395 0.007862 True md_ensemble 7 426 433 + O_GB1_49 C_GB1_50 1 0.000000e+00 8.223867e-07 ; 2.771733e-01 -8.223867e-07 1.000000e+00 9.944949e-01 0.004395 0.001132 True md_ensemble 4 426 435 O_GB1_49 O_GB1_50 1 0.000000e+00 1.218695e-06 ; 2.864087e-01 -1.218695e-06 9.999465e-01 8.124099e-01 0.004395 0.001132 True md_ensemble 5 426 436 O_GB1_49 N_GB1_51 1 0.000000e+00 1.346722e-06 ; 2.888029e-01 -1.346722e-06 9.999907e-01 8.978055e-01 0.004395 0.001132 True md_ensemble 5 426 437 - O_GB1_49 H_GB1_51 1 0.000000e+00 1.739517e-08 ; 2.010006e-01 -1.739517e-08 7.343426e-02 1.945317e-01 0.004395 0.001132 True md_ensemble 6 426 438 - O_GB1_49 CA_GB1_51 1 0.000000e+00 2.393874e-06 ; 3.029843e-01 -2.393874e-06 9.868327e-01 5.631844e-01 0.004395 0.001132 True md_ensemble 6 426 439 + O_GB1_49 H_GB1_51 1 0.000000e+00 1.739545e-08 ; 2.010009e-01 -1.739545e-08 7.343426e-02 1.945317e-01 0.004395 0.001132 True md_ensemble 6 426 438 + O_GB1_49 CA_GB1_51 1 0.000000e+00 2.393893e-06 ; 3.029845e-01 -2.393893e-06 9.868327e-01 5.631844e-01 0.004395 0.001132 True md_ensemble 6 426 439 O_GB1_49 CB_GB1_51 1 1.619420e-03 3.480643e-06 ; 3.592389e-01 1.883647e-01 9.579726e-01 1.727832e-01 0.004395 0.007862 True md_ensemble 7 426 440 O_GB1_49 OG1_GB1_51 1 2.993102e-04 8.414937e-08 ; 2.559499e-01 2.661535e-01 9.344340e-01 5.498319e-02 0.004395 0.011584 True md_ensemble 7 426 441 O_GB1_49 CG2_GB1_51 1 0.000000e+00 1.629949e-06 ; 2.934334e-01 -1.629949e-06 5.711647e-03 8.946021e-02 0.004395 0.007862 True md_ensemble 7 426 442 @@ -43512,32 +43512,32 @@ CG2_GB1_49 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- O_GB1_49 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 426 488 O_GB1_49 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 426 490 O_GB1_49 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 426 491 - N_GB1_50 CB_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 427 430 - N_GB1_50 CG_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 427 431 - N_GB1_50 CD_GB1_50 1 0.000000e+00 3.514818e-06 ; 3.128385e-01 -3.514818e-06 9.999994e-01 9.561310e-01 0.004395 0.001132 True md_ensemble 4 427 432 - N_GB1_50 CE_GB1_50 1 0.000000e+00 1.676709e-06 ; 2.941258e-01 -1.676709e-06 8.413788e-01 2.974919e-01 0.004395 0.001132 True md_ensemble 5 427 433 - N_GB1_50 NZ_GB1_50 1 0.000000e+00 8.896288e-07 ; 2.789946e-01 -8.896288e-07 1.284021e-02 2.921737e-02 0.004395 0.001132 True md_ensemble 6 427 434 - N_GB1_50 CA_GB1_51 1 0.000000e+00 7.574896e-06 ; 3.335107e-01 -7.574896e-06 9.999998e-01 9.999868e-01 0.004395 0.001132 True md_ensemble 4 427 439 - N_GB1_50 CB_GB1_51 1 0.000000e+00 5.358768e-06 ; 3.240289e-01 -5.358768e-06 1.000000e+00 7.074286e-01 0.004395 0.001132 True md_ensemble 5 427 440 + N_GB1_50 CB_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 427 430 + N_GB1_50 CG_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 427 431 + N_GB1_50 CD_GB1_50 1 0.000000e+00 3.514772e-06 ; 3.128382e-01 -3.514772e-06 9.999994e-01 9.561310e-01 0.004395 0.001132 True md_ensemble 4 427 432 + N_GB1_50 CE_GB1_50 1 0.000000e+00 1.676687e-06 ; 2.941255e-01 -1.676687e-06 8.413788e-01 2.974919e-01 0.004395 0.001132 True md_ensemble 5 427 433 + N_GB1_50 NZ_GB1_50 1 0.000000e+00 8.896195e-07 ; 2.789943e-01 -8.896195e-07 1.284021e-02 2.921737e-02 0.004395 0.001132 True md_ensemble 6 427 434 + N_GB1_50 CA_GB1_51 1 0.000000e+00 7.574884e-06 ; 3.335106e-01 -7.574884e-06 9.999998e-01 9.999868e-01 0.004395 0.001132 True md_ensemble 4 427 439 + N_GB1_50 CB_GB1_51 1 0.000000e+00 5.358760e-06 ; 3.240289e-01 -5.358760e-06 1.000000e+00 7.074286e-01 0.004395 0.001132 True md_ensemble 5 427 440 N_GB1_50 OG1_GB1_51 1 1.213817e-03 2.859292e-06 ; 3.647687e-01 1.288214e-01 7.226975e-01 5.950333e-02 0.004395 0.001132 True md_ensemble 6 427 441 - N_GB1_50 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 427 442 + N_GB1_50 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 427 442 N_GB1_50 C_GB1_51 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 1.106095e-03 1.217643e-01 0.004395 0.001132 True md_ensemble 5 427 443 N_GB1_50 O_GB1_51 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 1.244777e-03 1.959119e-01 0.004395 0.001132 True md_ensemble 6 427 444 N_GB1_50 N_GB1_52 1 0.000000e+00 8.752940e-07 ; 2.786171e-01 -8.752940e-07 0.000000e+00 8.872613e-02 0.004395 0.001132 True md_ensemble 6 427 445 - N_GB1_50 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 427 448 + N_GB1_50 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 427 448 N_GB1_50 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.598586e-04 0.004395 0.001132 True md_ensemble 7 427 457 - N_GB1_50 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 427 460 - N_GB1_50 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 427 462 + N_GB1_50 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 427 460 + N_GB1_50 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 427 462 N_GB1_50 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 427 465 - N_GB1_50 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 427 468 - N_GB1_50 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 427 469 - N_GB1_50 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 427 470 + N_GB1_50 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 427 468 + N_GB1_50 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 427 469 + N_GB1_50 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 427 470 N_GB1_50 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 427 473 - N_GB1_50 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 427 476 - N_GB1_50 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 427 478 + N_GB1_50 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 427 476 + N_GB1_50 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 427 478 N_GB1_50 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 427 481 - N_GB1_50 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 427 484 - N_GB1_50 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 427 485 + N_GB1_50 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 427 484 + N_GB1_50 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 427 485 H_GB1_50 H_GB1_50 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 428 428 H_GB1_50 O_GB1_50 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 428 436 H_GB1_50 H_GB1_51 1 0.000000e+00 8.113592e-09 ; 1.886236e-01 -8.113592e-09 9.523015e-01 6.284342e-01 0.004395 0.001132 True md_ensemble 5 428 438 @@ -43558,188 +43558,188 @@ CG2_GB1_49 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- H_GB1_50 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 428 488 H_GB1_50 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 428 490 H_GB1_50 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 428 491 - CA_GB1_50 CE_GB1_50 1 0.000000e+00 3.181365e-05 ; 3.758773e-01 -3.181365e-05 1.000000e+00 9.999998e-01 0.004395 0.001132 True md_ensemble 4 429 433 - CA_GB1_50 NZ_GB1_50 1 0.000000e+00 7.373781e-06 ; 3.327636e-01 -7.373781e-06 4.949796e-01 4.684167e-01 0.004395 0.001132 True md_ensemble 5 429 434 - CA_GB1_50 CB_GB1_51 1 0.000000e+00 6.555536e-05 ; 3.992201e-01 -6.555536e-05 9.999998e-01 9.999940e-01 0.004395 0.001132 True md_ensemble 4 429 440 - CA_GB1_50 OG1_GB1_51 1 0.000000e+00 4.186855e-06 ; 3.174332e-01 -4.186855e-06 9.996600e-01 7.296193e-01 0.004395 0.001132 True md_ensemble 5 429 441 - CA_GB1_50 CG2_GB1_51 1 0.000000e+00 3.740939e-05 ; 3.809869e-01 -3.740939e-05 1.718582e-01 7.477925e-01 0.004395 0.001132 True md_ensemble 5 429 442 - CA_GB1_50 C_GB1_51 1 0.000000e+00 1.305180e-05 ; 3.489803e-01 -1.305180e-05 9.999965e-01 9.999917e-01 0.004395 0.001132 True md_ensemble 4 429 443 - CA_GB1_50 O_GB1_51 1 0.000000e+00 3.552573e-06 ; 3.131172e-01 -3.552573e-06 6.129790e-01 4.683005e-01 0.004395 0.001132 True md_ensemble 5 429 444 - CA_GB1_50 N_GB1_52 1 0.000000e+00 1.125177e-05 ; 3.446911e-01 -1.125177e-05 1.200254e-01 6.054092e-01 0.004395 0.001132 True md_ensemble 5 429 445 - CA_GB1_50 CA_GB1_52 1 0.000000e+00 1.037020e-04 ; 4.147731e-01 -1.037020e-04 1.347945e-02 5.953696e-01 0.004395 0.001132 True md_ensemble 6 429 447 - CA_GB1_50 CD1_GB1_52 1 0.000000e+00 1.448582e-05 ; 3.520251e-01 -1.448582e-05 9.722900e-03 1.195888e-01 0.004395 0.010759 True md_ensemble 7 429 450 - CA_GB1_50 CD2_GB1_52 1 0.000000e+00 1.448582e-05 ; 3.520251e-01 -1.448582e-05 9.722900e-03 1.195888e-01 0.004395 0.010759 True md_ensemble 7 429 451 - CA_GB1_50 CE1_GB1_52 1 0.000000e+00 1.439931e-05 ; 3.518494e-01 -1.439931e-05 1.468781e-02 1.179253e-01 0.004395 0.010759 True md_ensemble 7 429 452 - CA_GB1_50 CE2_GB1_52 1 0.000000e+00 1.439931e-05 ; 3.518494e-01 -1.439931e-05 1.468781e-02 1.179253e-01 0.004395 0.010759 True md_ensemble 7 429 453 - CB_GB1_50 NZ_GB1_50 1 0.000000e+00 4.395698e-06 ; 3.187234e-01 -4.395698e-06 7.610031e-01 9.567594e-01 0.004395 0.001132 True md_ensemble 4 430 434 - CB_GB1_50 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 430 435 + CA_GB1_50 CE_GB1_50 1 0.000000e+00 3.181351e-05 ; 3.758772e-01 -3.181351e-05 1.000000e+00 9.999998e-01 0.004395 0.001132 True md_ensemble 4 429 433 + CA_GB1_50 NZ_GB1_50 1 0.000000e+00 7.373769e-06 ; 3.327636e-01 -7.373769e-06 4.949796e-01 4.684167e-01 0.004395 0.001132 True md_ensemble 5 429 434 + CA_GB1_50 CB_GB1_51 1 0.000000e+00 6.555584e-05 ; 3.992203e-01 -6.555584e-05 9.999998e-01 9.999940e-01 0.004395 0.001132 True md_ensemble 4 429 440 + CA_GB1_50 OG1_GB1_51 1 0.000000e+00 4.186841e-06 ; 3.174331e-01 -4.186841e-06 9.996600e-01 7.296193e-01 0.004395 0.001132 True md_ensemble 5 429 441 + CA_GB1_50 CG2_GB1_51 1 0.000000e+00 3.740937e-05 ; 3.809869e-01 -3.740937e-05 1.718582e-01 7.477925e-01 0.004395 0.001132 True md_ensemble 5 429 442 + CA_GB1_50 C_GB1_51 1 0.000000e+00 1.305173e-05 ; 3.489801e-01 -1.305173e-05 9.999965e-01 9.999917e-01 0.004395 0.001132 True md_ensemble 4 429 443 + CA_GB1_50 O_GB1_51 1 0.000000e+00 3.552601e-06 ; 3.131174e-01 -3.552601e-06 6.129790e-01 4.683005e-01 0.004395 0.001132 True md_ensemble 5 429 444 + CA_GB1_50 N_GB1_52 1 0.000000e+00 1.125176e-05 ; 3.446911e-01 -1.125176e-05 1.200254e-01 6.054092e-01 0.004395 0.001132 True md_ensemble 5 429 445 + CA_GB1_50 CA_GB1_52 1 0.000000e+00 1.037027e-04 ; 4.147734e-01 -1.037027e-04 1.347945e-02 5.953696e-01 0.004395 0.001132 True md_ensemble 6 429 447 + CA_GB1_50 CD1_GB1_52 1 0.000000e+00 1.448574e-05 ; 3.520249e-01 -1.448574e-05 9.722900e-03 1.195888e-01 0.004395 0.010759 True md_ensemble 7 429 450 + CA_GB1_50 CD2_GB1_52 1 0.000000e+00 1.448574e-05 ; 3.520249e-01 -1.448574e-05 9.722900e-03 1.195888e-01 0.004395 0.010759 True md_ensemble 7 429 451 + CA_GB1_50 CE1_GB1_52 1 0.000000e+00 1.439923e-05 ; 3.518492e-01 -1.439923e-05 1.468781e-02 1.179253e-01 0.004395 0.010759 True md_ensemble 7 429 452 + CA_GB1_50 CE2_GB1_52 1 0.000000e+00 1.439923e-05 ; 3.518492e-01 -1.439923e-05 1.468781e-02 1.179253e-01 0.004395 0.010759 True md_ensemble 7 429 453 + CB_GB1_50 NZ_GB1_50 1 0.000000e+00 4.395640e-06 ; 3.187231e-01 -4.395640e-06 7.610031e-01 9.567594e-01 0.004395 0.001132 True md_ensemble 4 430 434 + CB_GB1_50 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 430 435 CB_GB1_50 O_GB1_50 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 430 436 - CB_GB1_50 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 430 437 - CB_GB1_50 CA_GB1_51 1 0.000000e+00 3.181326e-05 ; 3.758769e-01 -3.181326e-05 9.999970e-01 9.999847e-01 0.004395 0.001132 True md_ensemble 4 430 439 - CB_GB1_50 CB_GB1_51 1 0.000000e+00 3.241743e-05 ; 3.764667e-01 -3.241743e-05 9.053898e-01 9.243683e-01 0.004395 0.001132 True md_ensemble 5 430 440 - CB_GB1_50 OG1_GB1_51 1 0.000000e+00 3.136359e-06 ; 3.098826e-01 -3.136359e-06 1.010719e-02 1.368730e-01 0.004395 0.001132 True md_ensemble 6 430 441 + CB_GB1_50 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 430 437 + CB_GB1_50 CA_GB1_51 1 0.000000e+00 3.181313e-05 ; 3.758768e-01 -3.181313e-05 9.999970e-01 9.999847e-01 0.004395 0.001132 True md_ensemble 4 430 439 + CB_GB1_50 CB_GB1_51 1 0.000000e+00 3.241729e-05 ; 3.764665e-01 -3.241729e-05 9.053898e-01 9.243683e-01 0.004395 0.001132 True md_ensemble 5 430 440 + CB_GB1_50 OG1_GB1_51 1 0.000000e+00 3.136312e-06 ; 3.098822e-01 -3.136312e-06 1.010719e-02 1.368730e-01 0.004395 0.001132 True md_ensemble 6 430 441 CB_GB1_50 CG2_GB1_51 1 0.000000e+00 1.151981e-05 ; 3.453680e-01 -1.151981e-05 1.152632e-03 3.416964e-01 0.004395 0.001132 True md_ensemble 6 430 442 - CB_GB1_50 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 430 443 + CB_GB1_50 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 430 443 CB_GB1_50 O_GB1_51 1 0.000000e+00 2.015656e-06 ; 2.986733e-01 -2.015656e-06 0.000000e+00 7.615987e-02 0.004395 0.001132 True md_ensemble 6 430 444 - CB_GB1_50 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 430 445 - CB_GB1_50 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 430 455 + CB_GB1_50 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 430 445 + CB_GB1_50 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 430 455 CB_GB1_50 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.832896e-02 0.004395 0.007862 True md_ensemble 7 430 456 - CB_GB1_50 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 430 457 - CB_GB1_50 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 430 461 - CB_GB1_50 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 430 463 + CB_GB1_50 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 430 457 + CB_GB1_50 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 430 461 + CB_GB1_50 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 430 463 CB_GB1_50 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 8.471554e-03 0.004395 0.007862 True md_ensemble 7 430 464 - CB_GB1_50 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 430 465 - CB_GB1_50 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 430 471 + CB_GB1_50 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 430 465 + CB_GB1_50 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 430 471 CB_GB1_50 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.588995e-03 0.004395 0.007862 True md_ensemble 7 430 472 - CB_GB1_50 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 430 473 - CB_GB1_50 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 430 477 - CB_GB1_50 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 430 479 + CB_GB1_50 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 430 473 + CB_GB1_50 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 430 477 + CB_GB1_50 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 430 479 CB_GB1_50 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 7.514388e-04 0.004395 0.007862 True md_ensemble 7 430 480 - CB_GB1_50 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 430 481 - CB_GB1_50 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 430 486 - CB_GB1_50 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 430 487 - CB_GB1_50 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 430 488 - CB_GB1_50 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 430 489 - CB_GB1_50 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 430 490 - CB_GB1_50 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 430 491 - CG_GB1_50 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 431 434 - CG_GB1_50 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 431 435 - CG_GB1_50 O_GB1_50 1 0.000000e+00 1.938176e-06 ; 2.976993e-01 -1.938176e-06 9.999816e-01 9.615424e-01 0.004395 0.001132 True md_ensemble 4 431 436 - CG_GB1_50 N_GB1_51 1 0.000000e+00 4.636309e-06 ; 3.201420e-01 -4.636309e-06 7.131049e-01 9.743143e-01 0.004395 0.001132 True md_ensemble 4 431 437 - CG_GB1_50 CA_GB1_51 1 0.000000e+00 5.292543e-05 ; 3.921634e-01 -5.292543e-05 1.096418e-02 6.745717e-01 0.004395 0.001132 True md_ensemble 5 431 439 + CB_GB1_50 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 430 481 + CB_GB1_50 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 430 486 + CB_GB1_50 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 430 487 + CB_GB1_50 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 430 488 + CB_GB1_50 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 430 489 + CB_GB1_50 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 430 490 + CB_GB1_50 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 430 491 + CG_GB1_50 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 431 434 + CG_GB1_50 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 431 435 + CG_GB1_50 O_GB1_50 1 0.000000e+00 1.938169e-06 ; 2.976992e-01 -1.938169e-06 9.999816e-01 9.615424e-01 0.004395 0.001132 True md_ensemble 4 431 436 + CG_GB1_50 N_GB1_51 1 0.000000e+00 4.636248e-06 ; 3.201417e-01 -4.636248e-06 7.131049e-01 9.743143e-01 0.004395 0.001132 True md_ensemble 4 431 437 + CG_GB1_50 CA_GB1_51 1 0.000000e+00 5.292521e-05 ; 3.921632e-01 -5.292521e-05 1.096418e-02 6.745717e-01 0.004395 0.001132 True md_ensemble 5 431 439 CG_GB1_50 CB_GB1_51 1 0.000000e+00 3.181365e-05 ; 3.758773e-01 -3.181365e-05 0.000000e+00 2.318241e-01 0.004395 0.001132 True md_ensemble 6 431 440 - CG_GB1_50 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 431 441 - CG_GB1_50 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 431 443 + CG_GB1_50 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 431 441 + CG_GB1_50 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 431 443 CG_GB1_50 O_GB1_51 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 4.500478e-02 0.004395 0.007862 True md_ensemble 7 431 444 - CG_GB1_50 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 431 445 - CG_GB1_50 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 431 455 + CG_GB1_50 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 431 445 + CG_GB1_50 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 431 455 CG_GB1_50 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.946432e-02 0.004395 0.007862 True md_ensemble 7 431 456 - CG_GB1_50 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 431 457 - CG_GB1_50 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 431 461 - CG_GB1_50 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 431 463 + CG_GB1_50 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 431 457 + CG_GB1_50 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 431 461 + CG_GB1_50 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 431 463 CG_GB1_50 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.837580e-03 0.004395 0.007862 True md_ensemble 7 431 464 - CG_GB1_50 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 431 465 - CG_GB1_50 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 431 471 + CG_GB1_50 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 431 465 + CG_GB1_50 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 431 471 CG_GB1_50 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.097690e-03 0.004395 0.007862 True md_ensemble 7 431 472 - CG_GB1_50 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 431 473 - CG_GB1_50 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 431 477 - CG_GB1_50 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 431 479 + CG_GB1_50 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 431 473 + CG_GB1_50 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 431 477 + CG_GB1_50 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 431 479 CG_GB1_50 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.226719e-03 0.004395 0.007862 True md_ensemble 7 431 480 - CG_GB1_50 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 431 481 - CG_GB1_50 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 431 486 - CG_GB1_50 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 431 487 - CG_GB1_50 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 431 488 - CG_GB1_50 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 431 489 - CG_GB1_50 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 431 490 - CG_GB1_50 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 431 491 - CD_GB1_50 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 432 434 - CD_GB1_50 C_GB1_50 1 0.000000e+00 6.277007e-06 ; 3.283278e-01 -6.277007e-06 9.987128e-01 9.897210e-01 0.004395 0.001132 True md_ensemble 4 432 435 - CD_GB1_50 O_GB1_50 1 0.000000e+00 2.421696e-06 ; 3.032762e-01 -2.421696e-06 6.310186e-02 2.645447e-01 0.004395 0.001132 True md_ensemble 5 432 436 - CD_GB1_50 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 432 437 + CG_GB1_50 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 431 481 + CG_GB1_50 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 431 486 + CG_GB1_50 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 431 487 + CG_GB1_50 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 431 488 + CG_GB1_50 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 431 489 + CG_GB1_50 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 431 490 + CG_GB1_50 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 431 491 + CD_GB1_50 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 432 434 + CD_GB1_50 C_GB1_50 1 0.000000e+00 6.276902e-06 ; 3.283274e-01 -6.276902e-06 9.987128e-01 9.897210e-01 0.004395 0.001132 True md_ensemble 4 432 435 + CD_GB1_50 O_GB1_50 1 0.000000e+00 2.421687e-06 ; 3.032761e-01 -2.421687e-06 6.310186e-02 2.645447e-01 0.004395 0.001132 True md_ensemble 5 432 436 + CD_GB1_50 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 432 437 CD_GB1_50 CA_GB1_51 1 0.000000e+00 3.181365e-05 ; 3.758773e-01 -3.181365e-05 0.000000e+00 1.563527e-01 0.004395 0.001132 True md_ensemble 6 432 439 - CD_GB1_50 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 432 441 - CD_GB1_50 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 432 443 + CD_GB1_50 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 432 441 + CD_GB1_50 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 432 443 CD_GB1_50 O_GB1_51 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.682193e-02 0.004395 0.007862 True md_ensemble 7 432 444 - CD_GB1_50 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 432 445 - CD_GB1_50 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 432 455 + CD_GB1_50 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 432 445 + CD_GB1_50 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 432 455 CD_GB1_50 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.454905e-02 0.004395 0.007862 True md_ensemble 7 432 456 - CD_GB1_50 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 432 457 - CD_GB1_50 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 432 461 - CD_GB1_50 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 432 463 + CD_GB1_50 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 432 457 + CD_GB1_50 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 432 461 + CD_GB1_50 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 432 463 CD_GB1_50 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 5.376516e-03 0.004395 0.007862 True md_ensemble 7 432 464 - CD_GB1_50 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 432 465 - CD_GB1_50 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 432 471 + CD_GB1_50 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 432 465 + CD_GB1_50 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 432 471 CD_GB1_50 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.333475e-03 0.004395 0.007862 True md_ensemble 7 432 472 - CD_GB1_50 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 432 473 - CD_GB1_50 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 432 477 - CD_GB1_50 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 432 479 + CD_GB1_50 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 432 473 + CD_GB1_50 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 432 477 + CD_GB1_50 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 432 479 CD_GB1_50 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.528683e-03 0.004395 0.007862 True md_ensemble 7 432 480 - CD_GB1_50 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 432 481 - CD_GB1_50 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 432 486 - CD_GB1_50 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 432 487 - CD_GB1_50 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 432 488 - CD_GB1_50 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 432 489 - CD_GB1_50 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 432 490 - CD_GB1_50 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 432 491 - CE_GB1_50 NZ_GB1_50 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 433 434 - CE_GB1_50 C_GB1_50 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 433 435 + CD_GB1_50 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 432 481 + CD_GB1_50 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 432 486 + CD_GB1_50 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 432 487 + CD_GB1_50 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 432 488 + CD_GB1_50 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 432 489 + CD_GB1_50 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 432 490 + CD_GB1_50 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 432 491 + CE_GB1_50 NZ_GB1_50 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 433 434 + CE_GB1_50 C_GB1_50 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 433 435 CE_GB1_50 O_GB1_50 1 0.000000e+00 2.015656e-06 ; 2.986733e-01 -2.015656e-06 1.892500e-06 5.799619e-02 0.004395 0.001132 True md_ensemble 6 433 436 - CE_GB1_50 N_GB1_51 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 433 437 - CE_GB1_50 OG1_GB1_51 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 433 441 - CE_GB1_50 C_GB1_51 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 433 443 + CE_GB1_50 N_GB1_51 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 433 437 + CE_GB1_50 OG1_GB1_51 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 433 441 + CE_GB1_50 C_GB1_51 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 433 443 CE_GB1_50 O_GB1_51 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.386973e-02 0.004395 0.007862 True md_ensemble 7 433 444 - CE_GB1_50 N_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 433 445 - CE_GB1_50 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 433 455 + CE_GB1_50 N_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 433 445 + CE_GB1_50 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 433 455 CE_GB1_50 O_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.831300e-02 0.004395 0.007862 True md_ensemble 7 433 456 - CE_GB1_50 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 433 457 - CE_GB1_50 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 433 461 - CE_GB1_50 C_GB1_53 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 433 463 + CE_GB1_50 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 433 457 + CE_GB1_50 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 433 461 + CE_GB1_50 C_GB1_53 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 433 463 CE_GB1_50 O_GB1_53 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 3.921908e-03 0.004395 0.007862 True md_ensemble 7 433 464 - CE_GB1_50 N_GB1_54 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 433 465 - CE_GB1_50 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 433 471 + CE_GB1_50 N_GB1_54 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 433 465 + CE_GB1_50 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 433 471 CE_GB1_50 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 2.754199e-03 0.004395 0.007862 True md_ensemble 7 433 472 - CE_GB1_50 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 433 473 - CE_GB1_50 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 433 477 - CE_GB1_50 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 433 479 + CE_GB1_50 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 433 473 + CE_GB1_50 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 433 477 + CE_GB1_50 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 433 479 CE_GB1_50 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.862939e-03 0.004395 0.007862 True md_ensemble 7 433 480 - CE_GB1_50 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 433 481 - CE_GB1_50 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 433 486 - CE_GB1_50 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 433 487 - CE_GB1_50 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 433 488 - CE_GB1_50 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 433 489 - CE_GB1_50 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 433 490 - CE_GB1_50 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 433 491 + CE_GB1_50 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 433 481 + CE_GB1_50 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 433 486 + CE_GB1_50 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 433 487 + CE_GB1_50 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 433 488 + CE_GB1_50 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 433 489 + CE_GB1_50 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 433 490 + CE_GB1_50 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 433 491 NZ_GB1_50 NZ_GB1_50 1 0.000000e+00 2.500000e-05 ; 2.227247e-05 -2.500000e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 434 434 NZ_GB1_50 C_GB1_50 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 0.000000e+00 1.933026e-02 0.004395 0.001132 True md_ensemble 6 434 435 NZ_GB1_50 N_GB1_51 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 4.365210e-03 0.004395 0.001132 True md_ensemble 7 434 437 - NZ_GB1_50 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 434 440 - NZ_GB1_50 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 434 442 + NZ_GB1_50 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 434 440 + NZ_GB1_50 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 434 442 NZ_GB1_50 N_GB1_52 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.160005e-03 0.004395 0.001132 True md_ensemble 7 434 445 - NZ_GB1_50 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 434 448 + NZ_GB1_50 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 434 448 NZ_GB1_50 N_GB1_53 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 8.083330e-04 0.004395 0.001132 True md_ensemble 7 434 457 - NZ_GB1_50 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 434 460 - NZ_GB1_50 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 434 462 + NZ_GB1_50 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 434 460 + NZ_GB1_50 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 434 462 NZ_GB1_50 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 6.697843e-04 0.004395 0.001132 True md_ensemble 7 434 465 - NZ_GB1_50 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 434 468 - NZ_GB1_50 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 434 469 - NZ_GB1_50 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 434 470 + NZ_GB1_50 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 434 468 + NZ_GB1_50 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 434 469 + NZ_GB1_50 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 434 470 NZ_GB1_50 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 3.435752e-04 0.004395 0.001132 True md_ensemble 7 434 473 - NZ_GB1_50 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 434 476 - NZ_GB1_50 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 434 478 + NZ_GB1_50 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 434 476 + NZ_GB1_50 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 434 478 NZ_GB1_50 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 2.246311e-04 0.004395 0.001132 True md_ensemble 7 434 481 - NZ_GB1_50 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 434 484 - NZ_GB1_50 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 434 485 - C_GB1_50 CB_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 435 440 - C_GB1_50 OG1_GB1_51 1 0.000000e+00 9.917895e-07 ; 2.815334e-01 -9.917895e-07 9.999943e-01 8.684914e-01 0.004395 0.001132 True md_ensemble 4 435 441 - C_GB1_50 CG2_GB1_51 1 0.000000e+00 4.697027e-06 ; 3.204893e-01 -4.697027e-06 9.995169e-01 9.933620e-01 0.004395 0.001132 True md_ensemble 4 435 442 - C_GB1_50 O_GB1_51 1 0.000000e+00 7.122532e-07 ; 2.738721e-01 -7.122532e-07 9.973806e-01 8.586895e-01 0.004395 0.001132 True md_ensemble 4 435 444 - C_GB1_50 N_GB1_52 1 0.000000e+00 1.454781e-06 ; 2.906664e-01 -1.454781e-06 9.993530e-01 9.639669e-01 0.004395 0.001132 True md_ensemble 4 435 445 - C_GB1_50 CA_GB1_52 1 0.000000e+00 1.503398e-05 ; 3.531164e-01 -1.503398e-05 6.850826e-01 8.369470e-01 0.004395 0.001132 True md_ensemble 5 435 447 - C_GB1_50 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 435 448 + NZ_GB1_50 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 434 484 + NZ_GB1_50 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 434 485 + C_GB1_50 CB_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 435 440 + C_GB1_50 OG1_GB1_51 1 0.000000e+00 9.917738e-07 ; 2.815331e-01 -9.917738e-07 9.999943e-01 8.684914e-01 0.004395 0.001132 True md_ensemble 4 435 441 + C_GB1_50 CG2_GB1_51 1 0.000000e+00 4.696966e-06 ; 3.204890e-01 -4.696966e-06 9.995169e-01 9.933620e-01 0.004395 0.001132 True md_ensemble 4 435 442 + C_GB1_50 O_GB1_51 1 0.000000e+00 7.122500e-07 ; 2.738720e-01 -7.122500e-07 9.973806e-01 8.586895e-01 0.004395 0.001132 True md_ensemble 4 435 444 + C_GB1_50 N_GB1_52 1 0.000000e+00 1.454761e-06 ; 2.906660e-01 -1.454761e-06 9.993530e-01 9.639669e-01 0.004395 0.001132 True md_ensemble 4 435 445 + C_GB1_50 CA_GB1_52 1 0.000000e+00 1.503390e-05 ; 3.531162e-01 -1.503390e-05 6.850826e-01 8.369470e-01 0.004395 0.001132 True md_ensemble 5 435 447 + C_GB1_50 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 435 448 C_GB1_50 CD1_GB1_52 1 3.577614e-03 2.176982e-05 ; 4.272777e-01 1.469847e-01 1.586898e-01 1.237678e-01 0.004395 0.015243 True md_ensemble 7 435 450 C_GB1_50 CD2_GB1_52 1 3.577614e-03 2.176982e-05 ; 4.272777e-01 1.469847e-01 1.586898e-01 1.237678e-01 0.004395 0.015243 True md_ensemble 7 435 451 C_GB1_50 CE1_GB1_52 1 1.936063e-03 1.202640e-05 ; 4.287486e-01 7.791899e-02 3.128236e-02 9.305756e-02 0.004395 0.015243 True md_ensemble 7 435 452 C_GB1_50 CE2_GB1_52 1 1.936063e-03 1.202640e-05 ; 4.287486e-01 7.791899e-02 3.128236e-02 9.305756e-02 0.004395 0.015243 True md_ensemble 7 435 453 C_GB1_50 C_GB1_52 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 0.000000e+00 1.355848e-01 0.004395 0.001132 True md_ensemble 6 435 455 - C_GB1_50 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 435 460 - C_GB1_50 CG2_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 435 462 - C_GB1_50 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 435 468 - C_GB1_50 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 435 469 - C_GB1_50 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 435 470 - C_GB1_50 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 435 476 - C_GB1_50 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 435 478 - C_GB1_50 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 435 484 - C_GB1_50 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 435 485 + C_GB1_50 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 435 460 + C_GB1_50 CG2_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 435 462 + C_GB1_50 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 435 468 + C_GB1_50 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 435 469 + C_GB1_50 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 435 470 + C_GB1_50 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 435 476 + C_GB1_50 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 435 478 + C_GB1_50 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 435 484 + C_GB1_50 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 435 485 O_GB1_50 O_GB1_50 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 436 436 O_GB1_50 H_GB1_51 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 436 438 - O_GB1_50 CB_GB1_51 1 0.000000e+00 4.153507e-06 ; 3.172217e-01 -4.153507e-06 9.999970e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 436 440 + O_GB1_50 CB_GB1_51 1 0.000000e+00 4.153540e-06 ; 3.172219e-01 -4.153540e-06 9.999970e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 436 440 O_GB1_50 OG1_GB1_51 1 2.871442e-04 2.468697e-07 ; 3.083623e-01 8.349727e-02 8.004226e-01 1.586505e-01 0.004395 0.001132 True md_ensemble 5 436 441 O_GB1_50 CG2_GB1_51 1 0.000000e+00 2.046530e-06 ; 2.990519e-01 -2.046530e-06 1.312583e-01 4.919907e-01 0.004395 0.001132 True md_ensemble 5 436 442 - O_GB1_50 C_GB1_51 1 0.000000e+00 8.211727e-07 ; 2.771391e-01 -8.211727e-07 9.999889e-01 9.930112e-01 0.004395 0.001132 True md_ensemble 4 436 443 + O_GB1_50 C_GB1_51 1 0.000000e+00 8.211689e-07 ; 2.771390e-01 -8.211689e-07 9.999889e-01 9.930112e-01 0.004395 0.001132 True md_ensemble 4 436 443 O_GB1_50 O_GB1_51 1 0.000000e+00 1.743354e-06 ; 2.950827e-01 -1.743354e-06 6.292820e-01 7.915177e-01 0.004395 0.001132 True md_ensemble 5 436 444 O_GB1_50 N_GB1_52 1 0.000000e+00 1.338614e-06 ; 2.886576e-01 -1.338614e-06 9.914864e-01 8.838956e-01 0.004395 0.001132 True md_ensemble 5 436 445 - O_GB1_50 H_GB1_52 1 0.000000e+00 1.784761e-08 ; 2.014312e-01 -1.784761e-08 1.970966e-02 1.699662e-01 0.004395 0.001132 True md_ensemble 6 436 446 - O_GB1_50 CA_GB1_52 1 0.000000e+00 5.972012e-06 ; 3.269679e-01 -5.972012e-06 9.897085e-02 5.367992e-01 0.004395 0.001132 True md_ensemble 6 436 447 + O_GB1_50 H_GB1_52 1 0.000000e+00 1.784789e-08 ; 2.014314e-01 -1.784789e-08 1.970966e-02 1.699662e-01 0.004395 0.001132 True md_ensemble 6 436 446 + O_GB1_50 CA_GB1_52 1 0.000000e+00 5.972060e-06 ; 3.269681e-01 -5.972060e-06 9.897085e-02 5.367992e-01 0.004395 0.001132 True md_ensemble 6 436 447 O_GB1_50 CB_GB1_52 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 1.824550e-04 1.288788e-01 0.004395 0.007862 True md_ensemble 7 436 448 O_GB1_50 CD1_GB1_52 1 1.627508e-03 3.894697e-06 ; 3.657282e-01 1.700249e-01 2.617349e-01 1.306100e-01 0.004395 0.015244 True md_ensemble 7 436 450 O_GB1_50 CD2_GB1_52 1 1.627508e-03 3.894697e-06 ; 3.657282e-01 1.700249e-01 2.617349e-01 1.306100e-01 0.004395 0.015244 True md_ensemble 7 436 451 @@ -43766,31 +43766,31 @@ CG2_GB1_49 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- O_GB1_50 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 436 488 O_GB1_50 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 436 490 O_GB1_50 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 436 491 - N_GB1_51 CB_GB1_51 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 437 440 - N_GB1_51 CG2_GB1_51 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 437 442 - N_GB1_51 CA_GB1_52 1 0.000000e+00 7.574977e-06 ; 3.335110e-01 -7.574977e-06 9.999998e-01 9.999974e-01 0.004395 0.001132 True md_ensemble 4 437 447 - N_GB1_51 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 437 448 + N_GB1_51 CB_GB1_51 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 437 440 + N_GB1_51 CG2_GB1_51 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 437 442 + N_GB1_51 CA_GB1_52 1 0.000000e+00 7.574965e-06 ; 3.335109e-01 -7.574965e-06 9.999998e-01 9.999974e-01 0.004395 0.001132 True md_ensemble 4 437 447 + N_GB1_51 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 437 448 N_GB1_51 CG_GB1_52 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 0.000000e+00 4.029592e-02 0.004395 0.001132 True md_ensemble 6 437 449 - N_GB1_51 CD1_GB1_52 1 0.000000e+00 1.599886e-06 ; 2.929785e-01 -1.599886e-06 1.980697e-02 8.063439e-02 0.004395 0.015244 True md_ensemble 7 437 450 - N_GB1_51 CD2_GB1_52 1 0.000000e+00 1.599886e-06 ; 2.929785e-01 -1.599886e-06 1.980697e-02 8.063439e-02 0.004395 0.015244 True md_ensemble 7 437 451 + N_GB1_51 CD1_GB1_52 1 0.000000e+00 1.599863e-06 ; 2.929782e-01 -1.599863e-06 1.980697e-02 8.063439e-02 0.004395 0.015244 True md_ensemble 7 437 450 + N_GB1_51 CD2_GB1_52 1 0.000000e+00 1.599863e-06 ; 2.929782e-01 -1.599863e-06 1.980697e-02 8.063439e-02 0.004395 0.015244 True md_ensemble 7 437 451 N_GB1_51 C_GB1_52 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 0.000000e+00 7.121919e-02 0.004395 0.001132 True md_ensemble 5 437 455 N_GB1_51 O_GB1_52 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 0.000000e+00 1.267294e-01 0.004395 0.001132 True md_ensemble 6 437 456 N_GB1_51 N_GB1_53 1 0.000000e+00 8.752940e-07 ; 2.786171e-01 -8.752940e-07 0.000000e+00 4.451904e-02 0.004395 0.001132 True md_ensemble 6 437 457 - N_GB1_51 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 437 460 - N_GB1_51 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 437 462 + N_GB1_51 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 437 460 + N_GB1_51 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 437 462 N_GB1_51 N_GB1_54 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.166380e-04 0.004395 0.001132 True md_ensemble 7 437 465 - N_GB1_51 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 437 468 - N_GB1_51 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 437 469 - N_GB1_51 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 437 470 + N_GB1_51 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 437 468 + N_GB1_51 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 437 469 + N_GB1_51 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 437 470 N_GB1_51 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 437 473 - N_GB1_51 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 437 476 - N_GB1_51 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 437 478 + N_GB1_51 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 437 476 + N_GB1_51 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 437 478 N_GB1_51 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 0.000000e+00 0.004395 0.001132 True md_ensemble 7 437 481 - N_GB1_51 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 437 484 - N_GB1_51 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 437 485 + N_GB1_51 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 437 484 + N_GB1_51 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 437 485 H_GB1_51 H_GB1_51 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 438 438 - H_GB1_51 OG1_GB1_51 1 0.000000e+00 2.300376e-08 ; 2.057366e-01 -2.300376e-08 6.880263e-01 7.616145e-01 0.004395 0.001132 True md_ensemble 4 438 441 - H_GB1_51 O_GB1_51 1 0.000000e+00 6.535093e-09 ; 1.852533e-01 -6.535093e-09 9.683843e-01 3.895630e-01 0.004395 0.001132 True md_ensemble 4 438 444 + H_GB1_51 OG1_GB1_51 1 0.000000e+00 2.300386e-08 ; 2.057367e-01 -2.300386e-08 6.880263e-01 7.616145e-01 0.004395 0.001132 True md_ensemble 4 438 441 + H_GB1_51 O_GB1_51 1 0.000000e+00 6.535196e-09 ; 1.852536e-01 -6.535196e-09 9.683843e-01 3.895630e-01 0.004395 0.001132 True md_ensemble 4 438 444 H_GB1_51 H_GB1_52 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 438 446 H_GB1_51 O_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 438 456 H_GB1_51 H_GB1_53 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 438 458 @@ -43806,72 +43806,72 @@ CG2_GB1_49 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- H_GB1_51 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 438 488 H_GB1_51 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 438 490 H_GB1_51 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 438 491 - CA_GB1_51 CB_GB1_52 1 0.000000e+00 3.181368e-05 ; 3.758773e-01 -3.181368e-05 9.999951e-01 9.999958e-01 0.004395 0.001132 True md_ensemble 4 439 448 - CA_GB1_51 CG_GB1_52 1 0.000000e+00 9.621424e-06 ; 3.402240e-01 -9.621424e-06 9.992475e-01 7.364160e-01 0.004395 0.001132 True md_ensemble 5 439 449 - CA_GB1_51 CD1_GB1_52 1 0.000000e+00 6.399989e-06 ; 3.288592e-01 -6.399989e-06 9.961171e-01 4.864676e-01 0.004395 0.001132 True md_ensemble 6 439 450 - CA_GB1_51 CD2_GB1_52 1 0.000000e+00 6.399989e-06 ; 3.288592e-01 -6.399989e-06 9.961171e-01 4.864676e-01 0.004395 0.001132 True md_ensemble 6 439 451 + CA_GB1_51 CB_GB1_52 1 0.000000e+00 3.181354e-05 ; 3.758772e-01 -3.181354e-05 9.999951e-01 9.999958e-01 0.004395 0.001132 True md_ensemble 4 439 448 + CA_GB1_51 CG_GB1_52 1 0.000000e+00 9.621374e-06 ; 3.402239e-01 -9.621374e-06 9.992475e-01 7.364160e-01 0.004395 0.001132 True md_ensemble 5 439 449 + CA_GB1_51 CD1_GB1_52 1 0.000000e+00 6.399955e-06 ; 3.288590e-01 -6.399955e-06 9.961171e-01 4.864676e-01 0.004395 0.001132 True md_ensemble 6 439 450 + CA_GB1_51 CD2_GB1_52 1 0.000000e+00 6.399955e-06 ; 3.288590e-01 -6.399955e-06 9.961171e-01 4.864676e-01 0.004395 0.001132 True md_ensemble 6 439 451 CA_GB1_51 CE1_GB1_52 1 7.597412e-03 1.002495e-04 ; 4.861118e-01 1.439425e-01 3.597281e-01 2.100582e-01 0.004395 0.010759 True md_ensemble 7 439 452 CA_GB1_51 CE2_GB1_52 1 7.597412e-03 1.002495e-04 ; 4.861118e-01 1.439425e-01 3.597281e-01 2.100582e-01 0.004395 0.010759 True md_ensemble 7 439 453 - CA_GB1_51 C_GB1_52 1 0.000000e+00 1.305197e-05 ; 3.489806e-01 -1.305197e-05 9.999921e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 439 455 - CA_GB1_51 O_GB1_52 1 0.000000e+00 2.218069e-06 ; 3.010645e-01 -2.218069e-06 9.703707e-01 5.043955e-01 0.004395 0.001132 True md_ensemble 5 439 456 - CA_GB1_51 N_GB1_53 1 0.000000e+00 6.052819e-06 ; 3.273343e-01 -6.052819e-06 7.585451e-01 5.575977e-01 0.004395 0.001132 True md_ensemble 5 439 457 - CA_GB1_51 CA_GB1_53 1 0.000000e+00 5.072795e-05 ; 3.907800e-01 -5.072795e-05 7.682963e-01 5.421103e-01 0.004395 0.001132 True md_ensemble 6 439 459 + CA_GB1_51 C_GB1_52 1 0.000000e+00 1.305190e-05 ; 3.489805e-01 -1.305190e-05 9.999921e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 439 455 + CA_GB1_51 O_GB1_52 1 0.000000e+00 2.218087e-06 ; 3.010647e-01 -2.218087e-06 9.703707e-01 5.043955e-01 0.004395 0.001132 True md_ensemble 5 439 456 + CA_GB1_51 N_GB1_53 1 0.000000e+00 6.052810e-06 ; 3.273342e-01 -6.052810e-06 7.585451e-01 5.575977e-01 0.004395 0.001132 True md_ensemble 5 439 457 + CA_GB1_51 CA_GB1_53 1 0.000000e+00 5.072832e-05 ; 3.907802e-01 -5.072832e-05 7.682963e-01 5.421103e-01 0.004395 0.001132 True md_ensemble 6 439 459 CA_GB1_51 CB_GB1_53 1 9.793668e-03 3.121580e-04 ; 5.630818e-01 7.681681e-02 2.511197e-01 3.242284e-01 0.004395 0.006476 True md_ensemble 7 439 460 - CA_GB1_51 OG1_GB1_53 1 0.000000e+00 6.009940e-06 ; 3.271404e-01 -6.009940e-06 4.608203e-02 9.388792e-02 0.004395 0.008483 True md_ensemble 7 439 461 - CB_GB1_51 OG1_GB1_51 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 440 441 - CB_GB1_51 C_GB1_51 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 440 443 + CA_GB1_51 OG1_GB1_53 1 0.000000e+00 6.009920e-06 ; 3.271403e-01 -6.009920e-06 4.608203e-02 9.388792e-02 0.004395 0.008483 True md_ensemble 7 439 461 + CB_GB1_51 OG1_GB1_51 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 440 441 + CB_GB1_51 C_GB1_51 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 440 443 CB_GB1_51 O_GB1_51 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 440 444 - CB_GB1_51 N_GB1_52 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 440 445 - CB_GB1_51 CA_GB1_52 1 0.000000e+00 6.555592e-05 ; 3.992203e-01 -6.555592e-05 9.999973e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 440 447 - CB_GB1_51 CB_GB1_52 1 0.000000e+00 3.011029e-05 ; 3.741576e-01 -3.011029e-05 9.838791e-01 9.303373e-01 0.004395 0.001132 True md_ensemble 5 440 448 + CB_GB1_51 N_GB1_52 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 440 445 + CB_GB1_51 CA_GB1_52 1 0.000000e+00 6.555640e-05 ; 3.992206e-01 -6.555640e-05 9.999973e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 440 447 + CB_GB1_51 CB_GB1_52 1 0.000000e+00 3.011016e-05 ; 3.741575e-01 -3.011016e-05 9.838791e-01 9.303373e-01 0.004395 0.001132 True md_ensemble 5 440 448 CB_GB1_51 CG_GB1_52 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 1.570000e-06 2.549953e-01 0.004395 0.001132 True md_ensemble 6 440 449 - CB_GB1_51 C_GB1_52 1 0.000000e+00 8.191083e-06 ; 3.356913e-01 -8.191083e-06 9.999963e-01 6.275758e-01 0.004395 0.001132 True md_ensemble 5 440 455 + CB_GB1_51 C_GB1_52 1 0.000000e+00 8.191040e-06 ; 3.356912e-01 -8.191040e-06 9.999963e-01 6.275758e-01 0.004395 0.001132 True md_ensemble 5 440 455 CB_GB1_51 O_GB1_52 1 1.411777e-03 7.039026e-06 ; 4.133244e-01 7.078798e-02 8.278508e-01 2.099233e-01 0.004395 0.001132 True md_ensemble 6 440 456 - CB_GB1_51 N_GB1_53 1 0.000000e+00 5.060967e-06 ; 3.224887e-01 -5.060967e-06 5.644789e-01 2.325938e-01 0.004395 0.001132 True md_ensemble 6 440 457 + CB_GB1_51 N_GB1_53 1 0.000000e+00 5.060959e-06 ; 3.224886e-01 -5.060959e-06 5.644789e-01 2.325938e-01 0.004395 0.001132 True md_ensemble 6 440 457 CB_GB1_51 CA_GB1_53 1 1.421710e-02 3.362798e-04 ; 5.357740e-01 1.502661e-01 8.603113e-01 2.675047e-01 0.004395 0.006476 True md_ensemble 7 440 459 CB_GB1_51 CB_GB1_53 1 1.496399e-02 3.483650e-04 ; 5.343566e-01 1.606943e-01 7.856336e-01 1.995776e-01 0.004395 0.006476 True md_ensemble 7 440 460 CB_GB1_51 OG1_GB1_53 1 2.288681e-03 1.278652e-05 ; 4.212383e-01 1.024137e-01 6.568896e-01 9.023522e-02 0.004395 0.001132 True md_ensemble 7 440 461 - CB_GB1_51 CG2_GB1_53 1 0.000000e+00 2.606082e-05 ; 3.696812e-01 -2.606082e-05 1.208440e-02 1.099409e-01 0.004395 0.010759 True md_ensemble 7 440 462 - CB_GB1_51 C_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 440 463 + CB_GB1_51 CG2_GB1_53 1 0.000000e+00 2.606081e-05 ; 3.696812e-01 -2.606081e-05 1.208440e-02 1.099409e-01 0.004395 0.010759 True md_ensemble 7 440 462 + CB_GB1_51 C_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 440 463 CB_GB1_51 O_GB1_53 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 8.832901e-02 0.004395 0.007862 True md_ensemble 7 440 464 - CB_GB1_51 N_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 440 465 - CB_GB1_51 C_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 440 471 + CB_GB1_51 N_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 440 465 + CB_GB1_51 C_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 440 471 CB_GB1_51 O_GB1_54 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 1.861390e-02 0.004395 0.007862 True md_ensemble 7 440 472 - CB_GB1_51 N_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 440 473 - CB_GB1_51 OG1_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 440 477 - CB_GB1_51 C_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 440 479 + CB_GB1_51 N_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 440 473 + CB_GB1_51 OG1_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 440 477 + CB_GB1_51 C_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 440 479 CB_GB1_51 O_GB1_55 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 2.910955e-03 0.004395 0.007862 True md_ensemble 7 440 480 - CB_GB1_51 N_GB1_56 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 440 481 - CB_GB1_51 CD_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 440 486 - CB_GB1_51 OE1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 440 487 - CB_GB1_51 OE2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 440 488 - CB_GB1_51 C_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 440 489 - CB_GB1_51 O1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 440 490 - CB_GB1_51 O2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 440 491 -OG1_GB1_51 CG2_GB1_51 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 441 442 -OG1_GB1_51 O_GB1_51 1 0.000000e+00 5.109854e-07 ; 2.663968e-01 -5.109854e-07 3.175517e-01 7.236520e-01 0.004395 0.001132 True md_ensemble 4 441 444 -OG1_GB1_51 N_GB1_52 1 0.000000e+00 1.068738e-06 ; 2.832920e-01 -1.068738e-06 1.024282e-01 7.149675e-01 0.004395 0.001132 True md_ensemble 4 441 445 + CB_GB1_51 N_GB1_56 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 440 481 + CB_GB1_51 CD_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 440 486 + CB_GB1_51 OE1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 440 487 + CB_GB1_51 OE2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 440 488 + CB_GB1_51 C_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 440 489 + CB_GB1_51 O1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 440 490 + CB_GB1_51 O2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 440 491 +OG1_GB1_51 CG2_GB1_51 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 441 442 +OG1_GB1_51 O_GB1_51 1 0.000000e+00 5.109840e-07 ; 2.663968e-01 -5.109840e-07 3.175517e-01 7.236520e-01 0.004395 0.001132 True md_ensemble 4 441 444 +OG1_GB1_51 N_GB1_52 1 0.000000e+00 1.068725e-06 ; 2.832917e-01 -1.068725e-06 1.024282e-01 7.149675e-01 0.004395 0.001132 True md_ensemble 4 441 445 OG1_GB1_51 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 441 446 OG1_GB1_51 CA_GB1_52 1 0.000000e+00 5.735738e-06 ; 3.258698e-01 -5.735738e-06 3.806612e-03 5.692289e-01 0.004395 0.001132 True md_ensemble 5 441 447 -OG1_GB1_51 CB_GB1_52 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 441 448 +OG1_GB1_51 CB_GB1_52 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 441 448 OG1_GB1_51 C_GB1_52 1 0.000000e+00 1.141961e-06 ; 2.848607e-01 -1.141961e-06 6.922500e-06 6.735894e-02 0.004395 0.001132 True md_ensemble 6 441 455 OG1_GB1_51 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 441 458 -OG1_GB1_51 CB_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 441 460 -OG1_GB1_51 CG2_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 441 462 +OG1_GB1_51 CB_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 441 460 +OG1_GB1_51 CG2_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 441 462 OG1_GB1_51 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 441 466 -OG1_GB1_51 CB_GB1_54 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 441 468 -OG1_GB1_51 CG1_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 441 469 -OG1_GB1_51 CG2_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 441 470 +OG1_GB1_51 CB_GB1_54 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 441 468 +OG1_GB1_51 CG1_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 441 469 +OG1_GB1_51 CG2_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 441 470 OG1_GB1_51 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 441 474 -OG1_GB1_51 CB_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 441 476 -OG1_GB1_51 CG2_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 441 478 +OG1_GB1_51 CB_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 441 476 +OG1_GB1_51 CG2_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 441 478 OG1_GB1_51 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 441 482 -OG1_GB1_51 CB_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 441 484 -OG1_GB1_51 CG_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 441 485 -CG2_GB1_51 C_GB1_51 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 442 443 +OG1_GB1_51 CB_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 441 484 +OG1_GB1_51 CG_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 441 485 +CG2_GB1_51 C_GB1_51 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 442 443 CG2_GB1_51 O_GB1_51 1 0.000000e+00 1.358281e-06 ; 2.890086e-01 -1.358281e-06 9.998480e-01 9.029654e-01 0.004395 0.001132 True md_ensemble 4 442 444 -CG2_GB1_51 N_GB1_52 1 0.000000e+00 2.607534e-06 ; 3.051506e-01 -2.607534e-06 9.999899e-01 9.506294e-01 0.004395 0.001132 True md_ensemble 4 442 445 -CG2_GB1_51 CA_GB1_52 1 0.000000e+00 1.474121e-05 ; 3.525381e-01 -1.474121e-05 9.996597e-01 6.206582e-01 0.004395 0.001132 True md_ensemble 5 442 447 +CG2_GB1_51 N_GB1_52 1 0.000000e+00 2.607509e-06 ; 3.051503e-01 -2.607509e-06 9.999899e-01 9.506294e-01 0.004395 0.001132 True md_ensemble 4 442 445 +CG2_GB1_51 CA_GB1_52 1 0.000000e+00 1.474120e-05 ; 3.525381e-01 -1.474120e-05 9.996597e-01 6.206582e-01 0.004395 0.001132 True md_ensemble 5 442 447 CG2_GB1_51 CB_GB1_52 1 3.846556e-03 4.987904e-05 ; 4.847015e-01 7.415938e-02 6.135867e-01 1.457485e-01 0.004395 0.001132 True md_ensemble 6 442 448 CG2_GB1_51 C_GB1_52 1 7.207988e-04 1.352498e-06 ; 3.511994e-01 9.603543e-02 9.951032e-01 1.546836e-01 0.004395 0.001132 True md_ensemble 6 442 455 CG2_GB1_51 O_GB1_52 1 8.594983e-04 8.122016e-07 ; 3.132587e-01 2.273873e-01 9.861891e-01 8.348667e-02 0.004395 0.007862 True md_ensemble 7 442 456 @@ -43880,53 +43880,53 @@ CG2_GB1_51 CA_GB1_53 1 7.178247e-03 5.575446e-05 ; 4.450173e-01 2.310453e- CG2_GB1_51 CB_GB1_53 1 7.471130e-03 5.958048e-05 ; 4.469781e-01 2.342117e-01 9.601405e-01 9.745303e-02 0.004395 0.010759 True md_ensemble 7 442 460 CG2_GB1_51 OG1_GB1_53 1 7.587467e-04 9.692558e-07 ; 3.294000e-01 1.484893e-01 9.175319e-01 5.159904e-02 0.004395 0.001132 True md_ensemble 7 442 461 CG2_GB1_51 CG2_GB1_53 1 1.307010e-03 3.595675e-06 ; 3.743262e-01 1.187729e-01 3.446665e-02 6.312426e-02 0.004395 0.020717 True md_ensemble 7 442 462 -CG2_GB1_51 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 442 463 +CG2_GB1_51 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 442 463 CG2_GB1_51 O_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 442 464 -CG2_GB1_51 N_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 442 465 -CG2_GB1_51 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 442 471 +CG2_GB1_51 N_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 442 465 +CG2_GB1_51 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 442 471 CG2_GB1_51 O_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 442 472 -CG2_GB1_51 N_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 442 473 -CG2_GB1_51 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 442 477 -CG2_GB1_51 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 442 479 +CG2_GB1_51 N_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 442 473 +CG2_GB1_51 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 442 477 +CG2_GB1_51 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 442 479 CG2_GB1_51 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 442 480 -CG2_GB1_51 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 442 481 -CG2_GB1_51 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 442 486 +CG2_GB1_51 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 442 481 +CG2_GB1_51 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 442 486 CG2_GB1_51 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 442 487 CG2_GB1_51 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 442 488 -CG2_GB1_51 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 442 489 +CG2_GB1_51 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 442 489 CG2_GB1_51 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 442 490 CG2_GB1_51 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 442 491 - C_GB1_51 CB_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 443 448 - C_GB1_51 CG_GB1_52 1 0.000000e+00 2.460536e-06 ; 3.036786e-01 -2.460536e-06 1.000000e+00 9.468806e-01 0.004395 0.001132 True md_ensemble 4 443 449 - C_GB1_51 CD1_GB1_52 1 0.000000e+00 1.573433e-06 ; 2.925717e-01 -1.573433e-06 9.989277e-01 6.044271e-01 0.004395 0.001132 True md_ensemble 5 443 450 - C_GB1_51 CD2_GB1_52 1 0.000000e+00 1.573433e-06 ; 2.925717e-01 -1.573433e-06 9.989277e-01 6.044271e-01 0.004395 0.001132 True md_ensemble 5 443 451 - C_GB1_51 CE1_GB1_52 1 0.000000e+00 2.565028e-06 ; 3.047329e-01 -2.565028e-06 1.809609e-01 1.680532e-01 0.004395 0.001132 True md_ensemble 6 443 452 - C_GB1_51 CE2_GB1_52 1 0.000000e+00 2.565028e-06 ; 3.047329e-01 -2.565028e-06 1.809609e-01 1.680532e-01 0.004395 0.001132 True md_ensemble 6 443 453 - C_GB1_51 O_GB1_52 1 0.000000e+00 7.086537e-07 ; 2.737565e-01 -7.086537e-07 9.998160e-01 8.567721e-01 0.004395 0.001132 True md_ensemble 4 443 456 - C_GB1_51 N_GB1_53 1 0.000000e+00 1.443048e-06 ; 2.904703e-01 -1.443048e-06 1.000000e+00 9.568341e-01 0.004395 0.001132 True md_ensemble 4 443 457 - C_GB1_51 CA_GB1_53 1 0.000000e+00 1.058013e-05 ; 3.429277e-01 -1.058013e-05 9.942067e-01 8.048291e-01 0.004395 0.001132 True md_ensemble 5 443 459 - C_GB1_51 CB_GB1_53 1 0.000000e+00 1.164907e-05 ; 3.456893e-01 -1.164907e-05 4.518732e-01 3.443946e-01 0.004395 0.001132 True md_ensemble 6 443 460 + C_GB1_51 CB_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 443 448 + C_GB1_51 CG_GB1_52 1 0.000000e+00 2.460492e-06 ; 3.036781e-01 -2.460492e-06 1.000000e+00 9.468806e-01 0.004395 0.001132 True md_ensemble 4 443 449 + C_GB1_51 CD1_GB1_52 1 0.000000e+00 1.573405e-06 ; 2.925713e-01 -1.573405e-06 9.989277e-01 6.044271e-01 0.004395 0.001132 True md_ensemble 5 443 450 + C_GB1_51 CD2_GB1_52 1 0.000000e+00 1.573405e-06 ; 2.925713e-01 -1.573405e-06 9.989277e-01 6.044271e-01 0.004395 0.001132 True md_ensemble 5 443 451 + C_GB1_51 CE1_GB1_52 1 0.000000e+00 2.564983e-06 ; 3.047325e-01 -2.564983e-06 1.809609e-01 1.680532e-01 0.004395 0.001132 True md_ensemble 6 443 452 + C_GB1_51 CE2_GB1_52 1 0.000000e+00 2.564983e-06 ; 3.047325e-01 -2.564983e-06 1.809609e-01 1.680532e-01 0.004395 0.001132 True md_ensemble 6 443 453 + C_GB1_51 O_GB1_52 1 0.000000e+00 7.086505e-07 ; 2.737564e-01 -7.086505e-07 9.998160e-01 8.567721e-01 0.004395 0.001132 True md_ensemble 4 443 456 + C_GB1_51 N_GB1_53 1 0.000000e+00 1.443028e-06 ; 2.904700e-01 -1.443028e-06 1.000000e+00 9.568341e-01 0.004395 0.001132 True md_ensemble 4 443 457 + C_GB1_51 CA_GB1_53 1 0.000000e+00 1.058008e-05 ; 3.429276e-01 -1.058008e-05 9.942067e-01 8.048291e-01 0.004395 0.001132 True md_ensemble 5 443 459 + C_GB1_51 CB_GB1_53 1 0.000000e+00 1.164901e-05 ; 3.456891e-01 -1.164901e-05 4.518732e-01 3.443946e-01 0.004395 0.001132 True md_ensemble 6 443 460 C_GB1_51 OG1_GB1_53 1 1.527016e-03 5.671167e-06 ; 3.935242e-01 1.027909e-01 4.494358e-02 6.273697e-02 0.004395 0.011584 True md_ensemble 7 443 461 - C_GB1_51 CG2_GB1_53 1 0.000000e+00 5.332781e-06 ; 3.238977e-01 -5.332781e-06 4.464850e-03 1.328293e-01 0.004395 0.001132 True md_ensemble 7 443 462 + C_GB1_51 CG2_GB1_53 1 0.000000e+00 5.332711e-06 ; 3.238973e-01 -5.332711e-06 4.464850e-03 1.328293e-01 0.004395 0.001132 True md_ensemble 7 443 462 C_GB1_51 C_GB1_53 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 0.000000e+00 9.570354e-02 0.004395 0.001132 True md_ensemble 6 443 463 - C_GB1_51 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 443 468 - C_GB1_51 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 443 469 - C_GB1_51 CG2_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 443 470 - C_GB1_51 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 443 476 - C_GB1_51 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 443 478 - C_GB1_51 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 443 484 - C_GB1_51 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 443 485 + C_GB1_51 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 443 468 + C_GB1_51 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 443 469 + C_GB1_51 CG2_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 443 470 + C_GB1_51 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 443 476 + C_GB1_51 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 443 478 + C_GB1_51 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 443 484 + C_GB1_51 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 443 485 O_GB1_51 O_GB1_51 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 444 444 O_GB1_51 H_GB1_52 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 444 446 - O_GB1_51 CB_GB1_52 1 0.000000e+00 2.015650e-06 ; 2.986732e-01 -2.015650e-06 1.000000e+00 9.999968e-01 0.004395 0.001132 True md_ensemble 4 444 448 - O_GB1_51 CG_GB1_52 1 0.000000e+00 7.186775e-07 ; 2.740772e-01 -7.186775e-07 5.789257e-01 4.480033e-01 0.004395 0.001132 True md_ensemble 5 444 449 - O_GB1_51 CD1_GB1_52 1 0.000000e+00 9.533688e-07 ; 2.806080e-01 -9.533688e-07 1.013213e-01 2.542048e-01 0.004395 0.001132 True md_ensemble 6 444 450 - O_GB1_51 CD2_GB1_52 1 0.000000e+00 9.533688e-07 ; 2.806080e-01 -9.533688e-07 1.013213e-01 2.542048e-01 0.004395 0.001132 True md_ensemble 6 444 451 - O_GB1_51 C_GB1_52 1 0.000000e+00 8.203854e-07 ; 2.771170e-01 -8.203854e-07 9.999999e-01 9.920701e-01 0.004395 0.001132 True md_ensemble 4 444 455 + O_GB1_51 CB_GB1_52 1 0.000000e+00 2.015642e-06 ; 2.986731e-01 -2.015642e-06 1.000000e+00 9.999968e-01 0.004395 0.001132 True md_ensemble 4 444 448 + O_GB1_51 CG_GB1_52 1 0.000000e+00 7.186742e-07 ; 2.740771e-01 -7.186742e-07 5.789257e-01 4.480033e-01 0.004395 0.001132 True md_ensemble 5 444 449 + O_GB1_51 CD1_GB1_52 1 0.000000e+00 9.533644e-07 ; 2.806079e-01 -9.533644e-07 1.013213e-01 2.542048e-01 0.004395 0.001132 True md_ensemble 6 444 450 + O_GB1_51 CD2_GB1_52 1 0.000000e+00 9.533644e-07 ; 2.806079e-01 -9.533644e-07 1.013213e-01 2.542048e-01 0.004395 0.001132 True md_ensemble 6 444 451 + O_GB1_51 C_GB1_52 1 0.000000e+00 8.203816e-07 ; 2.771169e-01 -8.203816e-07 9.999999e-01 9.920701e-01 0.004395 0.001132 True md_ensemble 4 444 455 O_GB1_51 O_GB1_52 1 0.000000e+00 1.244542e-06 ; 2.869101e-01 -1.244542e-06 9.510478e-01 7.807424e-01 0.004395 0.001132 True md_ensemble 5 444 456 O_GB1_51 N_GB1_53 1 0.000000e+00 1.274140e-06 ; 2.874726e-01 -1.274140e-06 9.999320e-01 8.493584e-01 0.004395 0.001132 True md_ensemble 5 444 457 - O_GB1_51 H_GB1_53 1 0.000000e+00 1.579777e-08 ; 1.993936e-01 -1.579777e-08 1.200738e-01 1.382205e-01 0.004395 0.001132 True md_ensemble 6 444 458 - O_GB1_51 CA_GB1_53 1 0.000000e+00 3.831110e-06 ; 3.150930e-01 -3.831110e-06 5.326433e-01 4.550257e-01 0.004395 0.001132 True md_ensemble 6 444 459 + O_GB1_51 H_GB1_53 1 0.000000e+00 1.579802e-08 ; 1.993939e-01 -1.579802e-08 1.200738e-01 1.382205e-01 0.004395 0.001132 True md_ensemble 6 444 458 + O_GB1_51 CA_GB1_53 1 0.000000e+00 3.831141e-06 ; 3.150932e-01 -3.831141e-06 5.326433e-01 4.550257e-01 0.004395 0.001132 True md_ensemble 6 444 459 O_GB1_51 CB_GB1_53 1 2.998454e-03 2.189094e-05 ; 4.404479e-01 1.026764e-01 1.943927e-01 1.845657e-01 0.004395 0.007862 True md_ensemble 7 444 460 O_GB1_51 OG1_GB1_53 1 4.161239e-04 4.841899e-07 ; 3.243139e-01 8.940661e-02 3.223320e-02 5.832245e-02 0.004395 0.011584 True md_ensemble 7 444 461 O_GB1_51 CG2_GB1_53 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 444 462 @@ -43947,30 +43947,30 @@ CG2_GB1_51 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- O_GB1_51 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 444 488 O_GB1_51 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 444 490 O_GB1_51 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 444 491 - N_GB1_52 CB_GB1_52 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 445 448 - N_GB1_52 CD1_GB1_52 1 0.000000e+00 1.336087e-06 ; 2.886121e-01 -1.336087e-06 9.998748e-01 8.857866e-01 0.004395 0.001132 True md_ensemble 4 445 450 - N_GB1_52 CD2_GB1_52 1 0.000000e+00 1.336087e-06 ; 2.886121e-01 -1.336087e-06 9.998748e-01 8.857866e-01 0.004395 0.001132 True md_ensemble 4 445 451 - N_GB1_52 CE1_GB1_52 1 0.000000e+00 6.607943e-07 ; 2.721660e-01 -6.607943e-07 8.862984e-01 3.244477e-01 0.004395 0.001132 True md_ensemble 5 445 452 - N_GB1_52 CE2_GB1_52 1 0.000000e+00 6.607943e-07 ; 2.721660e-01 -6.607943e-07 8.862984e-01 3.244477e-01 0.004395 0.001132 True md_ensemble 5 445 453 + N_GB1_52 CB_GB1_52 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 445 448 + N_GB1_52 CD1_GB1_52 1 0.000000e+00 1.336068e-06 ; 2.886118e-01 -1.336068e-06 9.998748e-01 8.857866e-01 0.004395 0.001132 True md_ensemble 4 445 450 + N_GB1_52 CD2_GB1_52 1 0.000000e+00 1.336068e-06 ; 2.886118e-01 -1.336068e-06 9.998748e-01 8.857866e-01 0.004395 0.001132 True md_ensemble 4 445 451 + N_GB1_52 CE1_GB1_52 1 0.000000e+00 6.607850e-07 ; 2.721657e-01 -6.607850e-07 8.862984e-01 3.244477e-01 0.004395 0.001132 True md_ensemble 5 445 452 + N_GB1_52 CE2_GB1_52 1 0.000000e+00 6.607850e-07 ; 2.721657e-01 -6.607850e-07 8.862984e-01 3.244477e-01 0.004395 0.001132 True md_ensemble 5 445 453 N_GB1_52 CZ_GB1_52 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 1.500857e-03 2.958751e-02 0.004395 0.001132 True md_ensemble 6 445 454 - N_GB1_52 CA_GB1_53 1 0.000000e+00 7.573899e-06 ; 3.335070e-01 -7.573899e-06 1.000000e+00 9.998554e-01 0.004395 0.001132 True md_ensemble 4 445 459 - N_GB1_52 CB_GB1_53 1 0.000000e+00 9.531665e-06 ; 3.399584e-01 -9.531665e-06 2.604421e-01 5.187486e-01 0.004395 0.001132 True md_ensemble 5 445 460 + N_GB1_52 CA_GB1_53 1 0.000000e+00 7.573888e-06 ; 3.335070e-01 -7.573888e-06 1.000000e+00 9.998554e-01 0.004395 0.001132 True md_ensemble 4 445 459 + N_GB1_52 CB_GB1_53 1 0.000000e+00 9.531650e-06 ; 3.399583e-01 -9.531650e-06 2.604421e-01 5.187486e-01 0.004395 0.001132 True md_ensemble 5 445 460 N_GB1_52 OG1_GB1_53 1 0.000000e+00 6.627671e-07 ; 2.722336e-01 -6.627671e-07 9.361500e-04 4.441823e-02 0.004395 0.001132 True md_ensemble 6 445 461 - N_GB1_52 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 445 462 + N_GB1_52 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 445 462 N_GB1_52 C_GB1_53 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 0.000000e+00 7.032330e-02 0.004395 0.001132 True md_ensemble 5 445 463 N_GB1_52 O_GB1_53 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 0.000000e+00 1.258241e-01 0.004395 0.001132 True md_ensemble 6 445 464 N_GB1_52 N_GB1_54 1 0.000000e+00 8.752940e-07 ; 2.786171e-01 -8.752940e-07 0.000000e+00 3.528503e-02 0.004395 0.001132 True md_ensemble 6 445 465 - N_GB1_52 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 445 468 - N_GB1_52 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 445 469 - N_GB1_52 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 445 470 + N_GB1_52 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 445 468 + N_GB1_52 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 445 469 + N_GB1_52 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 445 470 N_GB1_52 N_GB1_55 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 1.582802e-04 0.004395 0.001132 True md_ensemble 7 445 473 - N_GB1_52 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 445 476 - N_GB1_52 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 445 478 + N_GB1_52 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 445 476 + N_GB1_52 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 445 478 N_GB1_52 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 2.060058e-05 0.004395 0.001132 True md_ensemble 7 445 481 - N_GB1_52 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 445 484 - N_GB1_52 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 445 485 + N_GB1_52 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 445 484 + N_GB1_52 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 445 485 H_GB1_52 H_GB1_52 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 446 446 - H_GB1_52 O_GB1_52 1 0.000000e+00 7.240079e-09 ; 1.868416e-01 -7.240079e-09 9.483519e-01 4.149661e-01 0.004395 0.001132 True md_ensemble 4 446 456 + H_GB1_52 O_GB1_52 1 0.000000e+00 7.240194e-09 ; 1.868419e-01 -7.240194e-09 9.483519e-01 4.149661e-01 0.004395 0.001132 True md_ensemble 4 446 456 H_GB1_52 H_GB1_53 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 446 458 H_GB1_52 OG1_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 446 461 H_GB1_52 O_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 446 464 @@ -43984,61 +43984,61 @@ CG2_GB1_51 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- H_GB1_52 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 446 488 H_GB1_52 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 446 490 H_GB1_52 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 446 491 - CA_GB1_52 CE1_GB1_52 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 447 452 - CA_GB1_52 CE2_GB1_52 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 447 453 - CA_GB1_52 CZ_GB1_52 1 0.000000e+00 1.304582e-05 ; 3.489669e-01 -1.304582e-05 9.999922e-01 9.995290e-01 0.004395 0.001132 True md_ensemble 5 447 454 - CA_GB1_52 CB_GB1_53 1 0.000000e+00 6.555547e-05 ; 3.992201e-01 -6.555547e-05 1.000000e+00 9.999959e-01 0.004395 0.001132 True md_ensemble 4 447 460 - CA_GB1_52 OG1_GB1_53 1 0.000000e+00 4.357862e-06 ; 3.184939e-01 -4.357862e-06 9.695513e-01 7.293248e-01 0.004395 0.001132 True md_ensemble 5 447 461 - CA_GB1_52 CG2_GB1_53 1 0.000000e+00 4.031962e-05 ; 3.833729e-01 -4.031962e-05 5.388652e-02 7.524192e-01 0.004395 0.001132 True md_ensemble 5 447 462 - CA_GB1_52 C_GB1_53 1 0.000000e+00 1.305175e-05 ; 3.489802e-01 -1.305175e-05 1.000000e+00 9.999913e-01 0.004395 0.001132 True md_ensemble 4 447 463 - CA_GB1_52 O_GB1_53 1 0.000000e+00 2.451693e-06 ; 3.035875e-01 -2.451693e-06 8.815595e-01 4.718319e-01 0.004395 0.001132 True md_ensemble 5 447 464 - CA_GB1_52 N_GB1_54 1 0.000000e+00 8.006523e-06 ; 3.350544e-01 -8.006523e-06 5.408110e-01 5.977785e-01 0.004395 0.001132 True md_ensemble 5 447 465 - CA_GB1_52 CA_GB1_54 1 0.000000e+00 7.360606e-05 ; 4.030923e-01 -7.360606e-05 4.609675e-01 5.837687e-01 0.004395 0.001132 True md_ensemble 6 447 467 - CA_GB1_52 CB_GB1_54 1 0.000000e+00 7.592588e-05 ; 4.041360e-01 -7.592588e-05 1.856478e-01 3.438359e-01 0.004395 0.006476 True md_ensemble 7 447 468 + CA_GB1_52 CE1_GB1_52 1 0.000000e+00 1.305180e-05 ; 3.489803e-01 -1.305180e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 447 452 + CA_GB1_52 CE2_GB1_52 1 0.000000e+00 1.305180e-05 ; 3.489803e-01 -1.305180e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 447 453 + CA_GB1_52 CZ_GB1_52 1 0.000000e+00 1.304575e-05 ; 3.489668e-01 -1.304575e-05 9.999922e-01 9.995290e-01 0.004395 0.001132 True md_ensemble 5 447 454 + CA_GB1_52 CB_GB1_53 1 0.000000e+00 6.555595e-05 ; 3.992204e-01 -6.555595e-05 1.000000e+00 9.999959e-01 0.004395 0.001132 True md_ensemble 4 447 460 + CA_GB1_52 OG1_GB1_53 1 0.000000e+00 4.357847e-06 ; 3.184938e-01 -4.357847e-06 9.695513e-01 7.293248e-01 0.004395 0.001132 True md_ensemble 5 447 461 + CA_GB1_52 CG2_GB1_53 1 0.000000e+00 4.031960e-05 ; 3.833728e-01 -4.031960e-05 5.388652e-02 7.524192e-01 0.004395 0.001132 True md_ensemble 5 447 462 + CA_GB1_52 C_GB1_53 1 0.000000e+00 1.305168e-05 ; 3.489800e-01 -1.305168e-05 1.000000e+00 9.999913e-01 0.004395 0.001132 True md_ensemble 4 447 463 + CA_GB1_52 O_GB1_53 1 0.000000e+00 2.451713e-06 ; 3.035877e-01 -2.451713e-06 8.815595e-01 4.718319e-01 0.004395 0.001132 True md_ensemble 5 447 464 + CA_GB1_52 N_GB1_54 1 0.000000e+00 8.006511e-06 ; 3.350544e-01 -8.006511e-06 5.408110e-01 5.977785e-01 0.004395 0.001132 True md_ensemble 5 447 465 + CA_GB1_52 CA_GB1_54 1 0.000000e+00 7.360660e-05 ; 4.030925e-01 -7.360660e-05 4.609675e-01 5.837687e-01 0.004395 0.001132 True md_ensemble 6 447 467 + CA_GB1_52 CB_GB1_54 1 0.000000e+00 7.592644e-05 ; 4.041362e-01 -7.592644e-05 1.856478e-01 3.438359e-01 0.004395 0.006476 True md_ensemble 7 447 468 CA_GB1_52 CG2_GB1_54 1 8.069267e-03 1.002453e-04 ; 4.812510e-01 1.623843e-01 5.767558e-01 2.355556e-01 0.004395 0.010759 True md_ensemble 7 447 470 - CB_GB1_52 CZ_GB1_52 1 0.000000e+00 6.333961e-06 ; 3.285751e-01 -6.333961e-06 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 448 454 - CB_GB1_52 C_GB1_52 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 448 455 + CB_GB1_52 CZ_GB1_52 1 0.000000e+00 6.333855e-06 ; 3.285746e-01 -6.333855e-06 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 448 454 + CB_GB1_52 C_GB1_52 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 448 455 CB_GB1_52 O_GB1_52 1 5.672124e-04 8.043247e-07 ; 3.351822e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 448 456 - CB_GB1_52 N_GB1_53 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 448 457 - CB_GB1_52 CA_GB1_53 1 0.000000e+00 3.181388e-05 ; 3.758775e-01 -3.181388e-05 9.999929e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 448 459 - CB_GB1_52 CB_GB1_53 1 0.000000e+00 3.283489e-05 ; 3.768683e-01 -3.283489e-05 8.784978e-01 9.105983e-01 0.004395 0.001132 True md_ensemble 5 448 460 - CB_GB1_52 OG1_GB1_53 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 448 461 + CB_GB1_52 N_GB1_53 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 448 457 + CB_GB1_52 CA_GB1_53 1 0.000000e+00 3.181374e-05 ; 3.758774e-01 -3.181374e-05 9.999929e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 448 459 + CB_GB1_52 CB_GB1_53 1 0.000000e+00 3.283475e-05 ; 3.768682e-01 -3.283475e-05 8.784978e-01 9.105983e-01 0.004395 0.001132 True md_ensemble 5 448 460 + CB_GB1_52 OG1_GB1_53 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 448 461 CB_GB1_52 CG2_GB1_53 1 0.000000e+00 1.151981e-05 ; 3.453680e-01 -1.151981e-05 8.315000e-06 2.285948e-01 0.004395 0.001132 True md_ensemble 6 448 462 - CB_GB1_52 C_GB1_53 1 0.000000e+00 3.373880e-06 ; 3.117735e-01 -3.373880e-06 9.232987e-01 4.559638e-01 0.004395 0.001132 True md_ensemble 5 448 463 - CB_GB1_52 O_GB1_53 1 0.000000e+00 2.211232e-06 ; 3.009871e-01 -2.211232e-06 3.403130e-02 1.310594e-01 0.004395 0.001132 True md_ensemble 6 448 464 - CB_GB1_52 N_GB1_54 1 0.000000e+00 4.486925e-06 ; 3.192695e-01 -4.486925e-06 1.440622e-02 2.349790e-01 0.004395 0.001132 True md_ensemble 6 448 465 - CB_GB1_52 CA_GB1_54 1 0.000000e+00 3.732852e-05 ; 3.809182e-01 -3.732852e-05 7.635347e-02 2.497024e-01 0.004395 0.007117 True md_ensemble 7 448 467 + CB_GB1_52 C_GB1_53 1 0.000000e+00 3.373823e-06 ; 3.117730e-01 -3.373823e-06 9.232987e-01 4.559638e-01 0.004395 0.001132 True md_ensemble 5 448 463 + CB_GB1_52 O_GB1_53 1 0.000000e+00 2.211223e-06 ; 3.009870e-01 -2.211223e-06 3.403130e-02 1.310594e-01 0.004395 0.001132 True md_ensemble 6 448 464 + CB_GB1_52 N_GB1_54 1 0.000000e+00 4.486866e-06 ; 3.192691e-01 -4.486866e-06 1.440622e-02 2.349790e-01 0.004395 0.001132 True md_ensemble 6 448 465 + CB_GB1_52 CA_GB1_54 1 0.000000e+00 3.732836e-05 ; 3.809181e-01 -3.732836e-05 7.635347e-02 2.497024e-01 0.004395 0.007117 True md_ensemble 7 448 467 CB_GB1_52 CB_GB1_54 1 7.756141e-03 1.594022e-04 ; 5.233691e-01 9.434894e-02 1.844433e-01 1.862926e-01 0.004395 0.007117 True md_ensemble 7 448 468 CB_GB1_52 CG2_GB1_54 1 4.707752e-03 2.771038e-05 ; 4.249177e-01 1.999515e-01 6.709330e-01 1.494181e-01 0.004395 0.012151 True md_ensemble 7 448 470 - CB_GB1_52 C_GB1_54 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 448 471 + CB_GB1_52 C_GB1_54 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 448 471 CB_GB1_52 O_GB1_54 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.123709e-01 0.004395 0.007862 True md_ensemble 7 448 472 - CB_GB1_52 N_GB1_55 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 448 473 - CB_GB1_52 OG1_GB1_55 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 448 477 - CB_GB1_52 C_GB1_55 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 448 479 + CB_GB1_52 N_GB1_55 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 448 473 + CB_GB1_52 OG1_GB1_55 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 448 477 + CB_GB1_52 C_GB1_55 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 448 479 CB_GB1_52 O_GB1_55 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000e+00 1.511181e-02 0.004395 0.007862 True md_ensemble 7 448 480 - CB_GB1_52 N_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 448 481 - CB_GB1_52 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 448 486 - CB_GB1_52 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 448 487 - CB_GB1_52 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 448 488 - CB_GB1_52 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 448 489 - CB_GB1_52 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 448 490 - CB_GB1_52 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 448 491 - CG_GB1_52 O_GB1_52 1 0.000000e+00 6.910116e-07 ; 2.731820e-01 -6.910116e-07 7.776977e-01 6.133196e-01 0.004395 0.001132 True md_ensemble 4 449 456 - CG_GB1_52 N_GB1_53 1 0.000000e+00 1.658631e-06 ; 2.938602e-01 -1.658631e-06 6.165601e-01 7.163398e-01 0.004395 0.001132 True md_ensemble 4 449 457 - CG_GB1_52 CA_GB1_53 1 0.000000e+00 1.739119e-05 ; 3.574285e-01 -1.739119e-05 1.939596e-02 3.518641e-01 0.004395 0.001132 True md_ensemble 5 449 459 + CB_GB1_52 N_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 448 481 + CB_GB1_52 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 448 486 + CB_GB1_52 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 448 487 + CB_GB1_52 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 448 488 + CB_GB1_52 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 448 489 + CB_GB1_52 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 448 490 + CB_GB1_52 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 448 491 + CG_GB1_52 O_GB1_52 1 0.000000e+00 6.910084e-07 ; 2.731819e-01 -6.910084e-07 7.776977e-01 6.133196e-01 0.004395 0.001132 True md_ensemble 4 449 456 + CG_GB1_52 N_GB1_53 1 0.000000e+00 1.658608e-06 ; 2.938599e-01 -1.658608e-06 6.165601e-01 7.163398e-01 0.004395 0.001132 True md_ensemble 4 449 457 + CG_GB1_52 CA_GB1_53 1 0.000000e+00 1.739110e-05 ; 3.574283e-01 -1.739110e-05 1.939596e-02 3.518641e-01 0.004395 0.001132 True md_ensemble 5 449 459 CG_GB1_52 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 0.000000e+00 1.017154e-01 0.004395 0.001132 True md_ensemble 6 449 460 CG_GB1_52 C_GB1_53 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 0.000000e+00 8.145103e-02 0.004395 0.001132 True md_ensemble 6 449 463 - CG_GB1_52 CG2_GB1_54 1 0.000000e+00 5.057996e-06 ; 3.224729e-01 -5.057996e-06 7.483955e-03 7.770661e-02 0.004395 0.020719 True md_ensemble 7 449 470 -CD1_GB1_52 C_GB1_52 1 0.000000e+00 2.286473e-06 ; 3.018275e-01 -2.286473e-06 9.906814e-01 8.705782e-01 0.004395 0.001132 True md_ensemble 4 450 455 + CG_GB1_52 CG2_GB1_54 1 0.000000e+00 5.057930e-06 ; 3.224725e-01 -5.057930e-06 7.483955e-03 7.770661e-02 0.004395 0.020719 True md_ensemble 7 449 470 +CD1_GB1_52 C_GB1_52 1 0.000000e+00 2.286433e-06 ; 3.018271e-01 -2.286433e-06 9.906814e-01 8.705782e-01 0.004395 0.001132 True md_ensemble 4 450 455 CD1_GB1_52 O_GB1_52 1 0.000000e+00 8.269429e-07 ; 2.773009e-01 -8.269429e-07 3.913950e-04 2.242865e-01 0.004395 0.001132 True md_ensemble 5 450 456 -CD1_GB1_52 N_GB1_53 1 0.000000e+00 1.867523e-06 ; 2.967794e-01 -1.867523e-06 3.330817e-02 2.715962e-01 0.004395 0.001132 True md_ensemble 5 450 457 +CD1_GB1_52 N_GB1_53 1 0.000000e+00 1.867496e-06 ; 2.967791e-01 -1.867496e-06 3.330817e-02 2.715962e-01 0.004395 0.001132 True md_ensemble 5 450 457 CD1_GB1_52 CA_GB1_53 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 0.000000e+00 2.110894e-01 0.004395 0.001132 True md_ensemble 6 450 459 -CD1_GB1_52 CG2_GB1_54 1 0.000000e+00 4.996848e-06 ; 3.221462e-01 -4.996848e-06 6.450062e-03 6.373447e-02 0.004395 0.020719 True md_ensemble 7 450 470 -CD2_GB1_52 C_GB1_52 1 0.000000e+00 2.286473e-06 ; 3.018275e-01 -2.286473e-06 9.906814e-01 8.705782e-01 0.004395 0.001132 True md_ensemble 4 451 455 +CD1_GB1_52 CG2_GB1_54 1 0.000000e+00 4.996783e-06 ; 3.221459e-01 -4.996783e-06 6.450062e-03 6.373447e-02 0.004395 0.020719 True md_ensemble 7 450 470 +CD2_GB1_52 C_GB1_52 1 0.000000e+00 2.286433e-06 ; 3.018271e-01 -2.286433e-06 9.906814e-01 8.705782e-01 0.004395 0.001132 True md_ensemble 4 451 455 CD2_GB1_52 O_GB1_52 1 0.000000e+00 8.269429e-07 ; 2.773009e-01 -8.269429e-07 3.562500e-06 2.284469e-01 0.004395 0.001132 True md_ensemble 5 451 456 -CD2_GB1_52 N_GB1_53 1 0.000000e+00 1.867523e-06 ; 2.967794e-01 -1.867523e-06 3.330817e-02 2.715962e-01 0.004395 0.001132 True md_ensemble 5 451 457 +CD2_GB1_52 N_GB1_53 1 0.000000e+00 1.867496e-06 ; 2.967791e-01 -1.867496e-06 3.330817e-02 2.715962e-01 0.004395 0.001132 True md_ensemble 5 451 457 CD2_GB1_52 CA_GB1_53 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 9.330100e-04 2.135342e-01 0.004395 0.001132 True md_ensemble 6 451 459 -CD2_GB1_52 CG2_GB1_54 1 0.000000e+00 4.996848e-06 ; 3.221462e-01 -4.996848e-06 6.450062e-03 6.373447e-02 0.004395 0.020719 True md_ensemble 7 451 470 +CD2_GB1_52 CG2_GB1_54 1 0.000000e+00 4.996783e-06 ; 3.221459e-01 -4.996783e-06 6.450062e-03 6.373447e-02 0.004395 0.020719 True md_ensemble 7 451 470 CE1_GB1_52 C_GB1_52 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 0.000000e+00 1.687630e-01 0.004395 0.001132 True md_ensemble 5 452 455 CE1_GB1_52 O_GB1_52 1 0.000000e+00 8.269429e-07 ; 2.773009e-01 -8.269429e-07 0.000000e+00 6.278325e-02 0.004395 0.001132 True md_ensemble 6 452 456 CE1_GB1_52 N_GB1_53 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 0.000000e+00 7.029531e-02 0.004395 0.001132 True md_ensemble 6 452 457 @@ -44046,30 +44046,30 @@ CE2_GB1_52 C_GB1_52 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e- CE2_GB1_52 O_GB1_52 1 0.000000e+00 8.269429e-07 ; 2.773009e-01 -8.269429e-07 0.000000e+00 6.481565e-02 0.004395 0.001132 True md_ensemble 6 453 456 CE2_GB1_52 N_GB1_53 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 0.000000e+00 7.049554e-02 0.004395 0.001132 True md_ensemble 6 453 457 CZ_GB1_52 C_GB1_52 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 0.000000e+00 2.119888e-02 0.004395 0.001132 True md_ensemble 6 454 455 - C_GB1_52 CB_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 455 460 - C_GB1_52 OG1_GB1_53 1 0.000000e+00 1.003311e-06 ; 2.818045e-01 -1.003311e-06 9.852053e-01 8.637916e-01 0.004395 0.001132 True md_ensemble 4 455 461 - C_GB1_52 CG2_GB1_53 1 0.000000e+00 4.696434e-06 ; 3.204860e-01 -4.696434e-06 9.993890e-01 9.931086e-01 0.004395 0.001132 True md_ensemble 4 455 462 - C_GB1_52 O_GB1_53 1 0.000000e+00 7.156922e-07 ; 2.739821e-01 -7.156922e-07 9.993710e-01 8.648385e-01 0.004395 0.001132 True md_ensemble 4 455 464 - C_GB1_52 N_GB1_54 1 0.000000e+00 1.450024e-06 ; 2.905871e-01 -1.450024e-06 9.996703e-01 9.611298e-01 0.004395 0.001132 True md_ensemble 4 455 465 - C_GB1_52 CA_GB1_54 1 0.000000e+00 1.223586e-05 ; 3.471079e-01 -1.223586e-05 8.816096e-01 8.190891e-01 0.004395 0.001132 True md_ensemble 5 455 467 - C_GB1_52 CB_GB1_54 1 0.000000e+00 1.332805e-05 ; 3.495899e-01 -1.332805e-05 3.487158e-01 3.698767e-01 0.004395 0.001132 True md_ensemble 6 455 468 - C_GB1_52 CG1_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 455 469 - C_GB1_52 CG2_GB1_54 1 0.000000e+00 2.908802e-06 ; 3.079436e-01 -2.908802e-06 5.846798e-01 2.001540e-01 0.004395 0.001132 True md_ensemble 7 455 470 + C_GB1_52 CB_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 455 460 + C_GB1_52 OG1_GB1_53 1 0.000000e+00 1.003295e-06 ; 2.818042e-01 -1.003295e-06 9.852053e-01 8.637916e-01 0.004395 0.001132 True md_ensemble 4 455 461 + C_GB1_52 CG2_GB1_53 1 0.000000e+00 4.696372e-06 ; 3.204856e-01 -4.696372e-06 9.993890e-01 9.931086e-01 0.004395 0.001132 True md_ensemble 4 455 462 + C_GB1_52 O_GB1_53 1 0.000000e+00 7.156889e-07 ; 2.739820e-01 -7.156889e-07 9.993710e-01 8.648385e-01 0.004395 0.001132 True md_ensemble 4 455 464 + C_GB1_52 N_GB1_54 1 0.000000e+00 1.450004e-06 ; 2.905867e-01 -1.450004e-06 9.996703e-01 9.611298e-01 0.004395 0.001132 True md_ensemble 4 455 465 + C_GB1_52 CA_GB1_54 1 0.000000e+00 1.223579e-05 ; 3.471078e-01 -1.223579e-05 8.816096e-01 8.190891e-01 0.004395 0.001132 True md_ensemble 5 455 467 + C_GB1_52 CB_GB1_54 1 0.000000e+00 1.332799e-05 ; 3.495898e-01 -1.332799e-05 3.487158e-01 3.698767e-01 0.004395 0.001132 True md_ensemble 6 455 468 + C_GB1_52 CG1_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 455 469 + C_GB1_52 CG2_GB1_54 1 0.000000e+00 2.908764e-06 ; 3.079433e-01 -2.908764e-06 5.846798e-01 2.001540e-01 0.004395 0.001132 True md_ensemble 7 455 470 C_GB1_52 C_GB1_54 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 0.000000e+00 1.586059e-01 0.004395 0.001132 True md_ensemble 6 455 471 - C_GB1_52 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 455 476 - C_GB1_52 CG2_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 455 478 - C_GB1_52 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 455 484 - C_GB1_52 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 455 485 + C_GB1_52 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 455 476 + C_GB1_52 CG2_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 455 478 + C_GB1_52 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 455 484 + C_GB1_52 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 455 485 O_GB1_52 O_GB1_52 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 456 456 O_GB1_52 H_GB1_53 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 456 458 - O_GB1_52 CB_GB1_53 1 0.000000e+00 4.153485e-06 ; 3.172216e-01 -4.153485e-06 1.000000e+00 9.999976e-01 0.004395 0.001132 True md_ensemble 4 456 460 + O_GB1_52 CB_GB1_53 1 0.000000e+00 4.153518e-06 ; 3.172218e-01 -4.153518e-06 1.000000e+00 9.999976e-01 0.004395 0.001132 True md_ensemble 4 456 460 O_GB1_52 OG1_GB1_53 1 2.070310e-04 1.279772e-07 ; 2.918655e-01 8.372950e-02 7.775060e-01 1.534161e-01 0.004395 0.001132 True md_ensemble 5 456 461 O_GB1_52 CG2_GB1_53 1 0.000000e+00 1.907058e-06 ; 2.972980e-01 -1.907058e-06 2.268401e-01 4.948377e-01 0.004395 0.001132 True md_ensemble 5 456 462 - O_GB1_52 C_GB1_53 1 0.000000e+00 8.214765e-07 ; 2.771477e-01 -8.214765e-07 1.000000e+00 9.933897e-01 0.004395 0.001132 True md_ensemble 4 456 463 + O_GB1_52 C_GB1_53 1 0.000000e+00 8.214727e-07 ; 2.771476e-01 -8.214727e-07 1.000000e+00 9.933897e-01 0.004395 0.001132 True md_ensemble 4 456 463 O_GB1_52 O_GB1_53 1 0.000000e+00 1.575922e-06 ; 2.926103e-01 -1.575922e-06 7.332867e-01 7.839015e-01 0.004395 0.001132 True md_ensemble 5 456 464 O_GB1_52 N_GB1_54 1 0.000000e+00 1.328718e-06 ; 2.884791e-01 -1.328718e-06 9.806041e-01 8.664158e-01 0.004395 0.001132 True md_ensemble 5 456 465 - O_GB1_52 H_GB1_54 1 0.000000e+00 1.674990e-08 ; 2.003685e-01 -1.674990e-08 6.738930e-02 1.469000e-01 0.004395 0.001132 True md_ensemble 6 456 466 - O_GB1_52 CA_GB1_54 1 0.000000e+00 5.103662e-06 ; 3.227145e-01 -5.103662e-06 2.739296e-01 5.026930e-01 0.004395 0.001132 True md_ensemble 6 456 467 + O_GB1_52 H_GB1_54 1 0.000000e+00 1.675017e-08 ; 2.003687e-01 -1.675017e-08 6.738930e-02 1.469000e-01 0.004395 0.001132 True md_ensemble 6 456 466 + O_GB1_52 CA_GB1_54 1 0.000000e+00 5.103703e-06 ; 3.227147e-01 -5.103703e-06 2.739296e-01 5.026930e-01 0.004395 0.001132 True md_ensemble 6 456 467 O_GB1_52 CB_GB1_54 1 2.463251e-03 1.594258e-05 ; 4.316930e-01 9.514779e-02 1.623322e-01 1.783409e-01 0.004395 0.007862 True md_ensemble 7 456 468 O_GB1_52 CG1_GB1_54 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 456 469 O_GB1_52 CG2_GB1_54 1 1.328922e-03 3.010109e-06 ; 3.623935e-01 1.466753e-01 3.114603e-01 1.260351e-01 0.004395 0.007862 True md_ensemble 7 456 470 @@ -44085,23 +44085,23 @@ CE2_GB1_52 N_GB1_53 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e- O_GB1_52 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 456 488 O_GB1_52 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 456 490 O_GB1_52 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 456 491 - N_GB1_53 CB_GB1_53 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 457 460 - N_GB1_53 CG2_GB1_53 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 457 462 - N_GB1_53 CA_GB1_54 1 0.000000e+00 7.574667e-06 ; 3.335098e-01 -7.574667e-06 9.999947e-01 9.999514e-01 0.004395 0.001132 True md_ensemble 4 457 467 - N_GB1_53 CB_GB1_54 1 0.000000e+00 7.690191e-06 ; 3.339308e-01 -7.690191e-06 5.143503e-01 5.295577e-01 0.004395 0.001132 True md_ensemble 5 457 468 - N_GB1_53 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 457 469 - N_GB1_53 CG2_GB1_54 1 0.000000e+00 1.961132e-06 ; 2.979915e-01 -1.961132e-06 5.419255e-01 2.569035e-01 0.004395 0.001132 True md_ensemble 6 457 470 + N_GB1_53 CB_GB1_53 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 457 460 + N_GB1_53 CG2_GB1_53 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 457 462 + N_GB1_53 CA_GB1_54 1 0.000000e+00 7.574655e-06 ; 3.335098e-01 -7.574655e-06 9.999947e-01 9.999514e-01 0.004395 0.001132 True md_ensemble 4 457 467 + N_GB1_53 CB_GB1_54 1 0.000000e+00 7.690179e-06 ; 3.339307e-01 -7.690179e-06 5.143503e-01 5.295577e-01 0.004395 0.001132 True md_ensemble 5 457 468 + N_GB1_53 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 457 469 + N_GB1_53 CG2_GB1_54 1 0.000000e+00 1.961113e-06 ; 2.979913e-01 -1.961113e-06 5.419255e-01 2.569035e-01 0.004395 0.001132 True md_ensemble 6 457 470 N_GB1_53 C_GB1_54 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 0.000000e+00 1.045262e-01 0.004395 0.001132 True md_ensemble 5 457 471 N_GB1_53 O_GB1_54 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 0.000000e+00 1.747922e-01 0.004395 0.001132 True md_ensemble 6 457 472 N_GB1_53 N_GB1_55 1 0.000000e+00 8.752940e-07 ; 2.786171e-01 -8.752940e-07 0.000000e+00 3.566063e-02 0.004395 0.001132 True md_ensemble 6 457 473 - N_GB1_53 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 457 476 - N_GB1_53 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 457 478 + N_GB1_53 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 457 476 + N_GB1_53 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 457 478 N_GB1_53 N_GB1_56 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000e+00 3.590444e-04 0.004395 0.001132 True md_ensemble 7 457 481 - N_GB1_53 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 457 484 - N_GB1_53 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 457 485 + N_GB1_53 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 457 484 + N_GB1_53 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 457 485 H_GB1_53 H_GB1_53 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 458 458 - H_GB1_53 OG1_GB1_53 1 0.000000e+00 2.510854e-08 ; 2.072431e-01 -2.510854e-08 5.879833e-01 7.598022e-01 0.004395 0.001132 True md_ensemble 4 458 461 - H_GB1_53 O_GB1_53 1 0.000000e+00 6.393742e-09 ; 1.849160e-01 -6.393742e-09 9.802823e-01 3.923511e-01 0.004395 0.001132 True md_ensemble 4 458 464 + H_GB1_53 OG1_GB1_53 1 0.000000e+00 2.510866e-08 ; 2.072432e-01 -2.510866e-08 5.879833e-01 7.598022e-01 0.004395 0.001132 True md_ensemble 4 458 461 + H_GB1_53 O_GB1_53 1 0.000000e+00 6.393843e-09 ; 1.849163e-01 -6.393843e-09 9.802823e-01 3.923511e-01 0.004395 0.001132 True md_ensemble 4 458 464 H_GB1_53 H_GB1_54 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 458 466 H_GB1_53 O_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 458 472 H_GB1_53 H_GB1_55 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 458 474 @@ -44112,61 +44112,61 @@ CE2_GB1_52 N_GB1_53 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e- H_GB1_53 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 458 488 H_GB1_53 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 458 490 H_GB1_53 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 458 491 - CA_GB1_53 CB_GB1_54 1 0.000000e+00 6.555593e-05 ; 3.992203e-01 -6.555593e-05 9.999971e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 459 468 - CA_GB1_53 CG1_GB1_54 1 0.000000e+00 3.101275e-05 ; 3.750795e-01 -3.101275e-05 3.062962e-01 6.127610e-01 0.004395 0.001132 True md_ensemble 5 459 469 - CA_GB1_53 CG2_GB1_54 1 0.000000e+00 2.584609e-05 ; 3.694264e-01 -2.584609e-05 7.730848e-01 8.618954e-01 0.004395 0.001132 True md_ensemble 5 459 470 - CA_GB1_53 C_GB1_54 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 459 471 - CA_GB1_53 O_GB1_54 1 0.000000e+00 3.469318e-06 ; 3.124990e-01 -3.469318e-06 7.721254e-01 6.074023e-01 0.004395 0.001132 True md_ensemble 5 459 472 - CA_GB1_53 N_GB1_55 1 0.000000e+00 6.844603e-06 ; 3.307049e-01 -6.844603e-06 6.151085e-01 5.186871e-01 0.004395 0.001132 True md_ensemble 5 459 473 - CA_GB1_53 CA_GB1_55 1 0.000000e+00 5.507432e-05 ; 3.934662e-01 -5.507432e-05 6.716283e-01 5.117427e-01 0.004395 0.001132 True md_ensemble 6 459 475 + CA_GB1_53 CB_GB1_54 1 0.000000e+00 6.555641e-05 ; 3.992206e-01 -6.555641e-05 9.999971e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 459 468 + CA_GB1_53 CG1_GB1_54 1 0.000000e+00 3.101273e-05 ; 3.750795e-01 -3.101273e-05 3.062962e-01 6.127610e-01 0.004395 0.001132 True md_ensemble 5 459 469 + CA_GB1_53 CG2_GB1_54 1 0.000000e+00 2.584608e-05 ; 3.694264e-01 -2.584608e-05 7.730848e-01 8.618954e-01 0.004395 0.001132 True md_ensemble 5 459 470 + CA_GB1_53 C_GB1_54 1 0.000000e+00 1.305180e-05 ; 3.489803e-01 -1.305180e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 459 471 + CA_GB1_53 O_GB1_54 1 0.000000e+00 3.469346e-06 ; 3.124992e-01 -3.469346e-06 7.721254e-01 6.074023e-01 0.004395 0.001132 True md_ensemble 5 459 472 + CA_GB1_53 N_GB1_55 1 0.000000e+00 6.844592e-06 ; 3.307049e-01 -6.844592e-06 6.151085e-01 5.186871e-01 0.004395 0.001132 True md_ensemble 5 459 473 + CA_GB1_53 CA_GB1_55 1 0.000000e+00 5.507473e-05 ; 3.934664e-01 -5.507473e-05 6.716283e-01 5.117427e-01 0.004395 0.001132 True md_ensemble 6 459 475 CA_GB1_53 CB_GB1_55 1 1.434905e-02 4.386425e-04 ; 5.591753e-01 1.173479e-01 4.781825e-01 2.814324e-01 0.004395 0.006476 True md_ensemble 7 459 476 CA_GB1_53 OG1_GB1_55 1 5.341251e-03 4.820055e-05 ; 4.562836e-01 1.479701e-01 1.857456e-01 7.909099e-02 0.004395 0.008483 True md_ensemble 7 459 477 - CA_GB1_53 CG2_GB1_55 1 0.000000e+00 2.652551e-05 ; 3.702261e-01 -2.652551e-05 1.683014e-02 1.342627e-01 0.004395 0.010759 True md_ensemble 7 459 478 - CB_GB1_53 OG1_GB1_53 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 460 461 - CB_GB1_53 C_GB1_53 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 460 463 + CA_GB1_53 CG2_GB1_55 1 0.000000e+00 2.652550e-05 ; 3.702260e-01 -2.652550e-05 1.683014e-02 1.342627e-01 0.004395 0.010759 True md_ensemble 7 459 478 + CB_GB1_53 OG1_GB1_53 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 460 461 + CB_GB1_53 C_GB1_53 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 460 463 CB_GB1_53 O_GB1_53 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 460 464 - CB_GB1_53 N_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 460 465 - CB_GB1_53 CA_GB1_54 1 0.000000e+00 6.555574e-05 ; 3.992202e-01 -6.555574e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 460 467 - CB_GB1_53 CB_GB1_54 1 0.000000e+00 6.545419e-05 ; 3.991687e-01 -6.545419e-05 1.000000e+00 9.984509e-01 0.004395 0.001132 True md_ensemble 5 460 468 - CB_GB1_53 CG1_GB1_54 1 0.000000e+00 3.102092e-05 ; 3.750878e-01 -3.102092e-05 5.617927e-03 3.124270e-01 0.004395 0.001132 True md_ensemble 6 460 469 - CB_GB1_53 CG2_GB1_54 1 0.000000e+00 2.653873e-05 ; 3.702414e-01 -2.653873e-05 3.857726e-01 5.037619e-01 0.004395 0.001132 True md_ensemble 6 460 470 - CB_GB1_53 C_GB1_54 1 0.000000e+00 8.387012e-06 ; 3.363532e-01 -8.387012e-06 9.987670e-01 6.413581e-01 0.004395 0.001132 True md_ensemble 5 460 471 - CB_GB1_53 O_GB1_54 1 0.000000e+00 4.365371e-06 ; 3.185396e-01 -4.365371e-06 2.039686e-01 2.549802e-01 0.004395 0.001132 True md_ensemble 6 460 472 - CB_GB1_53 N_GB1_55 1 0.000000e+00 7.071495e-06 ; 3.316049e-01 -7.071495e-06 2.602680e-01 1.937993e-01 0.004395 0.001132 True md_ensemble 6 460 473 + CB_GB1_53 N_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 460 465 + CB_GB1_53 CA_GB1_54 1 0.000000e+00 6.555622e-05 ; 3.992205e-01 -6.555622e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 460 467 + CB_GB1_53 CB_GB1_54 1 0.000000e+00 6.545467e-05 ; 3.991689e-01 -6.545467e-05 1.000000e+00 9.984509e-01 0.004395 0.001132 True md_ensemble 5 460 468 + CB_GB1_53 CG1_GB1_54 1 0.000000e+00 3.102090e-05 ; 3.750877e-01 -3.102090e-05 5.617927e-03 3.124270e-01 0.004395 0.001132 True md_ensemble 6 460 469 + CB_GB1_53 CG2_GB1_54 1 0.000000e+00 2.653872e-05 ; 3.702414e-01 -2.653872e-05 3.857726e-01 5.037619e-01 0.004395 0.001132 True md_ensemble 6 460 470 + CB_GB1_53 C_GB1_54 1 0.000000e+00 8.386969e-06 ; 3.363531e-01 -8.386969e-06 9.987670e-01 6.413581e-01 0.004395 0.001132 True md_ensemble 5 460 471 + CB_GB1_53 O_GB1_54 1 0.000000e+00 4.365406e-06 ; 3.185398e-01 -4.365406e-06 2.039686e-01 2.549802e-01 0.004395 0.001132 True md_ensemble 6 460 472 + CB_GB1_53 N_GB1_55 1 0.000000e+00 7.071484e-06 ; 3.316049e-01 -7.071484e-06 2.602680e-01 1.937993e-01 0.004395 0.001132 True md_ensemble 6 460 473 CB_GB1_53 CA_GB1_55 1 1.586150e-02 4.487624e-04 ; 5.520080e-01 1.401562e-01 6.660078e-01 2.519186e-01 0.004395 0.006476 True md_ensemble 7 460 475 CB_GB1_53 CB_GB1_55 1 1.537915e-02 3.511659e-04 ; 5.326354e-01 1.683807e-01 8.552236e-01 1.871836e-01 0.004395 0.006476 True md_ensemble 7 460 476 CB_GB1_53 OG1_GB1_55 1 2.502888e-03 1.368413e-05 ; 4.197229e-01 1.144473e-01 7.626672e-01 8.296990e-02 0.004395 0.001132 True md_ensemble 7 460 477 - CB_GB1_53 CG2_GB1_55 1 0.000000e+00 2.556124e-05 ; 3.690854e-01 -2.556124e-05 3.640709e-02 1.132178e-01 0.004395 0.010759 True md_ensemble 7 460 478 - CB_GB1_53 C_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 460 479 + CB_GB1_53 CG2_GB1_55 1 0.000000e+00 2.556122e-05 ; 3.690853e-01 -2.556122e-05 3.640709e-02 1.132178e-01 0.004395 0.010759 True md_ensemble 7 460 478 + CB_GB1_53 C_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 460 479 CB_GB1_53 O_GB1_55 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000e+00 7.619656e-02 0.004395 0.007862 True md_ensemble 7 460 480 - CB_GB1_53 N_GB1_56 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 460 481 - CB_GB1_53 CD_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 460 486 - CB_GB1_53 OE1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 460 487 - CB_GB1_53 OE2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 460 488 - CB_GB1_53 C_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 460 489 - CB_GB1_53 O1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 460 490 - CB_GB1_53 O2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 460 491 -OG1_GB1_53 CG2_GB1_53 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 461 462 -OG1_GB1_53 O_GB1_53 1 0.000000e+00 4.982856e-07 ; 2.658387e-01 -4.982856e-07 3.467109e-01 7.178646e-01 0.004395 0.001132 True md_ensemble 4 461 464 -OG1_GB1_53 N_GB1_54 1 0.000000e+00 1.087827e-06 ; 2.837102e-01 -1.087827e-06 8.647601e-02 7.278168e-01 0.004395 0.001132 True md_ensemble 4 461 465 -OG1_GB1_53 H_GB1_54 1 0.000000e+00 2.476723e-08 ; 2.070069e-01 -2.476723e-08 1.327416e-02 1.691639e-01 0.004395 0.001132 True md_ensemble 5 461 466 -OG1_GB1_53 CA_GB1_54 1 0.000000e+00 8.921359e-06 ; 3.380889e-01 -8.921359e-06 2.559770e-02 5.809963e-01 0.004395 0.001132 True md_ensemble 5 461 467 -OG1_GB1_53 CB_GB1_54 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 461 468 -OG1_GB1_53 CG1_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 461 469 -OG1_GB1_53 CG2_GB1_54 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 461 470 -OG1_GB1_53 C_GB1_54 1 0.000000e+00 1.222033e-06 ; 2.864740e-01 -1.222033e-06 7.970192e-03 7.808823e-02 0.004395 0.001132 True md_ensemble 6 461 471 + CB_GB1_53 N_GB1_56 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 460 481 + CB_GB1_53 CD_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 460 486 + CB_GB1_53 OE1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 460 487 + CB_GB1_53 OE2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 460 488 + CB_GB1_53 C_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 460 489 + CB_GB1_53 O1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 460 490 + CB_GB1_53 O2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 460 491 +OG1_GB1_53 CG2_GB1_53 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 461 462 +OG1_GB1_53 O_GB1_53 1 0.000000e+00 4.982842e-07 ; 2.658386e-01 -4.982842e-07 3.467109e-01 7.178646e-01 0.004395 0.001132 True md_ensemble 4 461 464 +OG1_GB1_53 N_GB1_54 1 0.000000e+00 1.087813e-06 ; 2.837099e-01 -1.087813e-06 8.647601e-02 7.278168e-01 0.004395 0.001132 True md_ensemble 4 461 465 +OG1_GB1_53 H_GB1_54 1 0.000000e+00 2.476734e-08 ; 2.070070e-01 -2.476734e-08 1.327416e-02 1.691639e-01 0.004395 0.001132 True md_ensemble 5 461 466 +OG1_GB1_53 CA_GB1_54 1 0.000000e+00 8.921329e-06 ; 3.380888e-01 -8.921329e-06 2.559770e-02 5.809963e-01 0.004395 0.001132 True md_ensemble 5 461 467 +OG1_GB1_53 CB_GB1_54 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 461 468 +OG1_GB1_53 CG1_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 461 469 +OG1_GB1_53 CG2_GB1_54 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 461 470 +OG1_GB1_53 C_GB1_54 1 0.000000e+00 1.222013e-06 ; 2.864736e-01 -1.222013e-06 7.970192e-03 7.808823e-02 0.004395 0.001132 True md_ensemble 6 461 471 OG1_GB1_53 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 461 474 -OG1_GB1_53 CB_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 461 476 -OG1_GB1_53 OG1_GB1_55 1 0.000000e+00 5.159507e-07 ; 2.666116e-01 -5.159507e-07 6.228468e-03 3.434024e-02 0.004395 0.011584 True md_ensemble 7 461 477 -OG1_GB1_53 CG2_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 461 478 +OG1_GB1_53 CB_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 461 476 +OG1_GB1_53 OG1_GB1_55 1 0.000000e+00 5.159435e-07 ; 2.666113e-01 -5.159435e-07 6.228468e-03 3.434024e-02 0.004395 0.011584 True md_ensemble 7 461 477 +OG1_GB1_53 CG2_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 461 478 OG1_GB1_53 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 461 482 -OG1_GB1_53 CB_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 461 484 -OG1_GB1_53 CG_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 461 485 -CG2_GB1_53 C_GB1_53 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 462 463 +OG1_GB1_53 CB_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 461 484 +OG1_GB1_53 CG_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 461 485 +CG2_GB1_53 C_GB1_53 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 462 463 CG2_GB1_53 O_GB1_53 1 0.000000e+00 1.350028e-06 ; 2.888619e-01 -1.350028e-06 9.998591e-01 8.974893e-01 0.004395 0.001132 True md_ensemble 4 462 464 -CG2_GB1_53 N_GB1_54 1 0.000000e+00 2.620397e-06 ; 3.052757e-01 -2.620397e-06 9.999905e-01 9.553197e-01 0.004395 0.001132 True md_ensemble 4 462 465 -CG2_GB1_53 CA_GB1_54 1 0.000000e+00 1.507981e-05 ; 3.532059e-01 -1.507981e-05 9.973024e-01 6.325650e-01 0.004395 0.001132 True md_ensemble 5 462 467 -CG2_GB1_53 CB_GB1_54 1 0.000000e+00 1.114048e-05 ; 3.444057e-01 -1.114048e-05 7.741176e-01 2.434293e-01 0.004395 0.001132 True md_ensemble 6 462 468 +CG2_GB1_53 N_GB1_54 1 0.000000e+00 2.620373e-06 ; 3.052755e-01 -2.620373e-06 9.999905e-01 9.553197e-01 0.004395 0.001132 True md_ensemble 4 462 465 +CG2_GB1_53 CA_GB1_54 1 0.000000e+00 1.507980e-05 ; 3.532059e-01 -1.507980e-05 9.973024e-01 6.325650e-01 0.004395 0.001132 True md_ensemble 5 462 467 +CG2_GB1_53 CB_GB1_54 1 0.000000e+00 1.114047e-05 ; 3.444057e-01 -1.114047e-05 7.741176e-01 2.434293e-01 0.004395 0.001132 True md_ensemble 6 462 468 CG2_GB1_53 C_GB1_54 1 1.189187e-03 3.740375e-06 ; 3.827755e-01 9.452034e-02 9.684437e-01 1.550260e-01 0.004395 0.001132 True md_ensemble 6 462 471 CG2_GB1_53 O_GB1_54 1 1.798692e-03 4.110242e-06 ; 3.629263e-01 1.967823e-01 6.114767e-01 9.368474e-02 0.004395 0.007862 True md_ensemble 7 462 472 CG2_GB1_53 N_GB1_55 1 2.121802e-03 9.485429e-06 ; 4.058747e-01 1.186568e-01 6.357199e-01 6.374056e-02 0.004395 0.001132 True md_ensemble 7 462 473 @@ -44174,37 +44174,37 @@ CG2_GB1_53 CA_GB1_55 1 9.500874e-03 9.736017e-05 ; 4.660541e-01 2.317852e- CG2_GB1_53 CB_GB1_55 1 6.150197e-03 3.957992e-05 ; 4.312850e-01 2.389149e-01 9.603825e-01 8.898437e-02 0.004395 0.010759 True md_ensemble 7 462 476 CG2_GB1_53 OG1_GB1_55 1 5.329206e-04 4.642593e-07 ; 3.090412e-01 1.529341e-01 9.026021e-01 4.656942e-02 0.004395 0.001132 True md_ensemble 7 462 477 CG2_GB1_53 CG2_GB1_55 1 1.479433e-03 3.399960e-06 ; 3.632702e-01 1.609373e-01 7.389883e-02 5.977167e-02 0.004395 0.020717 True md_ensemble 7 462 478 -CG2_GB1_53 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 462 479 +CG2_GB1_53 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 462 479 CG2_GB1_53 O_GB1_55 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 462 480 -CG2_GB1_53 N_GB1_56 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 462 481 -CG2_GB1_53 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 462 486 +CG2_GB1_53 N_GB1_56 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 462 481 +CG2_GB1_53 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 462 486 CG2_GB1_53 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 462 487 CG2_GB1_53 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 462 488 -CG2_GB1_53 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 462 489 +CG2_GB1_53 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 462 489 CG2_GB1_53 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 462 490 CG2_GB1_53 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 462 491 - C_GB1_53 CB_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 463 468 - C_GB1_53 CG1_GB1_54 1 0.000000e+00 4.668050e-06 ; 3.203241e-01 -4.668050e-06 9.996722e-01 9.873861e-01 0.004395 0.001132 True md_ensemble 4 463 469 - C_GB1_53 CG2_GB1_54 1 0.000000e+00 4.715450e-06 ; 3.205939e-01 -4.715450e-06 9.999734e-01 9.977167e-01 0.004395 0.001132 True md_ensemble 4 463 470 - C_GB1_53 O_GB1_54 1 0.000000e+00 7.506398e-07 ; 2.750728e-01 -7.506398e-07 9.940903e-01 9.018191e-01 0.004395 0.001132 True md_ensemble 4 463 472 - C_GB1_53 N_GB1_55 1 0.000000e+00 1.456630e-06 ; 2.906972e-01 -1.456630e-06 9.999554e-01 9.657952e-01 0.004395 0.001132 True md_ensemble 4 463 473 - C_GB1_53 CA_GB1_55 1 0.000000e+00 1.105970e-05 ; 3.441969e-01 -1.105970e-05 9.758032e-01 8.231685e-01 0.004395 0.001132 True md_ensemble 5 463 475 - C_GB1_53 CB_GB1_55 1 0.000000e+00 9.195030e-06 ; 3.389413e-01 -9.195030e-06 6.524088e-01 3.569081e-01 0.004395 0.001132 True md_ensemble 6 463 476 + C_GB1_53 CB_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 463 468 + C_GB1_53 CG1_GB1_54 1 0.000000e+00 4.667989e-06 ; 3.203238e-01 -4.667989e-06 9.996722e-01 9.873861e-01 0.004395 0.001132 True md_ensemble 4 463 469 + C_GB1_53 CG2_GB1_54 1 0.000000e+00 4.715389e-06 ; 3.205936e-01 -4.715389e-06 9.999734e-01 9.977167e-01 0.004395 0.001132 True md_ensemble 4 463 470 + C_GB1_53 O_GB1_54 1 0.000000e+00 7.506364e-07 ; 2.750727e-01 -7.506364e-07 9.940903e-01 9.018191e-01 0.004395 0.001132 True md_ensemble 4 463 472 + C_GB1_53 N_GB1_55 1 0.000000e+00 1.456610e-06 ; 2.906968e-01 -1.456610e-06 9.999554e-01 9.657952e-01 0.004395 0.001132 True md_ensemble 4 463 473 + C_GB1_53 CA_GB1_55 1 0.000000e+00 1.105964e-05 ; 3.441967e-01 -1.105964e-05 9.758032e-01 8.231685e-01 0.004395 0.001132 True md_ensemble 5 463 475 + C_GB1_53 CB_GB1_55 1 0.000000e+00 9.194982e-06 ; 3.389411e-01 -9.194982e-06 6.524088e-01 3.569081e-01 0.004395 0.001132 True md_ensemble 6 463 476 C_GB1_53 OG1_GB1_55 1 2.484185e-03 8.804877e-06 ; 3.904720e-01 1.752204e-01 1.905307e-01 6.532987e-02 0.004395 0.011584 True md_ensemble 7 463 477 - C_GB1_53 CG2_GB1_55 1 0.000000e+00 5.372864e-06 ; 3.240998e-01 -5.372864e-06 1.784628e-02 1.546920e-01 0.004395 0.001132 True md_ensemble 7 463 478 + C_GB1_53 CG2_GB1_55 1 0.000000e+00 5.372794e-06 ; 3.240995e-01 -5.372794e-06 1.784628e-02 1.546920e-01 0.004395 0.001132 True md_ensemble 7 463 478 C_GB1_53 C_GB1_55 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 0.000000e+00 8.850664e-02 0.004395 0.001132 True md_ensemble 6 463 479 - C_GB1_53 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 463 484 - C_GB1_53 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 463 485 + C_GB1_53 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 463 484 + C_GB1_53 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 463 485 O_GB1_53 O_GB1_53 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 464 464 O_GB1_53 H_GB1_54 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 464 466 - O_GB1_53 CB_GB1_54 1 0.000000e+00 4.153453e-06 ; 3.172214e-01 -4.153453e-06 9.999998e-01 9.999898e-01 0.004395 0.001132 True md_ensemble 4 464 468 + O_GB1_53 CB_GB1_54 1 0.000000e+00 4.153486e-06 ; 3.172216e-01 -4.153486e-06 9.999998e-01 9.999898e-01 0.004395 0.001132 True md_ensemble 4 464 468 O_GB1_53 CG1_GB1_54 1 0.000000e+00 1.880531e-06 ; 2.969512e-01 -1.880531e-06 1.671783e-01 4.175381e-01 0.004395 0.001132 True md_ensemble 5 464 469 O_GB1_53 CG2_GB1_54 1 0.000000e+00 8.690941e-07 ; 2.784521e-01 -8.690941e-07 8.475501e-01 4.254084e-01 0.004395 0.001132 True md_ensemble 5 464 470 - O_GB1_53 C_GB1_54 1 0.000000e+00 8.234144e-07 ; 2.772021e-01 -8.234144e-07 1.000000e+00 9.957331e-01 0.004395 0.001132 True md_ensemble 4 464 471 + O_GB1_53 C_GB1_54 1 0.000000e+00 8.234106e-07 ; 2.772020e-01 -8.234106e-07 1.000000e+00 9.957331e-01 0.004395 0.001132 True md_ensemble 4 464 471 O_GB1_53 O_GB1_54 1 0.000000e+00 1.772955e-06 ; 2.954970e-01 -1.772955e-06 6.297417e-01 8.117119e-01 0.004395 0.001132 True md_ensemble 5 464 472 O_GB1_53 N_GB1_55 1 0.000000e+00 1.345420e-06 ; 2.887796e-01 -1.345420e-06 9.948875e-01 8.918341e-01 0.004395 0.001132 True md_ensemble 5 464 473 - O_GB1_53 H_GB1_55 1 0.000000e+00 1.690032e-08 ; 2.005178e-01 -1.690032e-08 5.897297e-02 1.481776e-01 0.004395 0.001132 True md_ensemble 6 464 474 - O_GB1_53 CA_GB1_55 1 0.000000e+00 5.161875e-06 ; 3.230197e-01 -5.161875e-06 2.581638e-01 5.009425e-01 0.004395 0.001132 True md_ensemble 6 464 475 + O_GB1_53 H_GB1_55 1 0.000000e+00 1.690058e-08 ; 2.005181e-01 -1.690058e-08 5.897297e-02 1.481776e-01 0.004395 0.001132 True md_ensemble 6 464 474 + O_GB1_53 CA_GB1_55 1 0.000000e+00 5.161916e-06 ; 3.230199e-01 -5.161916e-06 2.581638e-01 5.009425e-01 0.004395 0.001132 True md_ensemble 6 464 475 O_GB1_53 CB_GB1_55 1 2.046894e-03 1.367911e-05 ; 4.340040e-01 7.657256e-02 1.536463e-01 2.419548e-01 0.004395 0.007862 True md_ensemble 7 464 476 O_GB1_53 OG1_GB1_55 1 2.935068e-04 2.767646e-07 ; 3.131473e-01 7.781546e-02 3.270402e-02 7.408111e-02 0.004395 0.011584 True md_ensemble 7 464 477 O_GB1_53 CG2_GB1_55 1 0.000000e+00 1.732308e-06 ; 2.949265e-01 -1.732308e-06 8.532032e-03 1.603389e-01 0.004395 0.007862 True md_ensemble 7 464 478 @@ -44216,20 +44216,20 @@ CG2_GB1_53 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- O_GB1_53 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 464 488 O_GB1_53 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 464 490 O_GB1_53 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 464 491 - N_GB1_54 CB_GB1_54 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 465 468 - N_GB1_54 CG1_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 465 469 - N_GB1_54 CG2_GB1_54 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 465 470 - N_GB1_54 CA_GB1_55 1 0.000000e+00 7.574629e-06 ; 3.335097e-01 -7.574629e-06 9.999930e-01 9.999447e-01 0.004395 0.001132 True md_ensemble 4 465 475 - N_GB1_54 CB_GB1_55 1 0.000000e+00 4.690984e-06 ; 3.204550e-01 -4.690984e-06 8.269085e-01 4.461807e-01 0.004395 0.001132 True md_ensemble 5 465 476 - N_GB1_54 OG1_GB1_55 1 0.000000e+00 5.901613e-07 ; 2.696141e-01 -5.901613e-07 1.488650e-01 3.931553e-02 0.004395 0.001132 True md_ensemble 6 465 477 - N_GB1_54 CG2_GB1_55 1 0.000000e+00 3.036208e-06 ; 3.090456e-01 -3.036208e-06 1.167227e-02 1.185953e-01 0.004395 0.001132 True md_ensemble 6 465 478 + N_GB1_54 CB_GB1_54 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 465 468 + N_GB1_54 CG1_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 465 469 + N_GB1_54 CG2_GB1_54 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 465 470 + N_GB1_54 CA_GB1_55 1 0.000000e+00 7.574617e-06 ; 3.335096e-01 -7.574617e-06 9.999930e-01 9.999447e-01 0.004395 0.001132 True md_ensemble 4 465 475 + N_GB1_54 CB_GB1_55 1 0.000000e+00 4.690976e-06 ; 3.204549e-01 -4.690976e-06 8.269085e-01 4.461807e-01 0.004395 0.001132 True md_ensemble 5 465 476 + N_GB1_54 OG1_GB1_55 1 0.000000e+00 5.901540e-07 ; 2.696138e-01 -5.901540e-07 1.488650e-01 3.931553e-02 0.004395 0.001132 True md_ensemble 6 465 477 + N_GB1_54 CG2_GB1_55 1 0.000000e+00 3.036179e-06 ; 3.090454e-01 -3.036179e-06 1.167227e-02 1.185953e-01 0.004395 0.001132 True md_ensemble 6 465 478 N_GB1_54 C_GB1_55 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 0.000000e+00 5.657341e-02 0.004395 0.001132 True md_ensemble 5 465 479 N_GB1_54 O_GB1_55 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 0.000000e+00 1.063855e-01 0.004395 0.001132 True md_ensemble 6 465 480 N_GB1_54 N_GB1_56 1 0.000000e+00 8.752940e-07 ; 2.786171e-01 -8.752940e-07 0.000000e+00 2.650402e-02 0.004395 0.001132 True md_ensemble 6 465 481 - N_GB1_54 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 465 484 - N_GB1_54 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 465 485 + N_GB1_54 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 465 484 + N_GB1_54 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 465 485 H_GB1_54 H_GB1_54 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 466 466 - H_GB1_54 O_GB1_54 1 0.000000e+00 7.992849e-09 ; 1.883881e-01 -7.992849e-09 9.725154e-01 4.876447e-01 0.004395 0.001132 True md_ensemble 4 466 472 + H_GB1_54 O_GB1_54 1 0.000000e+00 7.992976e-09 ; 1.883883e-01 -7.992976e-09 9.725154e-01 4.876447e-01 0.004395 0.001132 True md_ensemble 4 466 472 H_GB1_54 H_GB1_55 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 466 474 H_GB1_54 OG1_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 466 477 H_GB1_54 O_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 466 480 @@ -44238,168 +44238,168 @@ CG2_GB1_53 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e- H_GB1_54 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 466 488 H_GB1_54 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 466 490 H_GB1_54 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 466 491 - CA_GB1_54 CB_GB1_55 1 0.000000e+00 6.555627e-05 ; 3.992205e-01 -6.555627e-05 9.999919e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 467 476 - CA_GB1_54 OG1_GB1_55 1 0.000000e+00 4.556255e-06 ; 3.196777e-01 -4.556255e-06 9.516067e-01 7.459692e-01 0.004395 0.001132 True md_ensemble 5 467 477 - CA_GB1_54 CG2_GB1_55 1 0.000000e+00 3.672317e-05 ; 3.803996e-01 -3.672317e-05 2.034700e-01 7.504961e-01 0.004395 0.001132 True md_ensemble 5 467 478 - CA_GB1_54 C_GB1_55 1 0.000000e+00 1.305197e-05 ; 3.489806e-01 -1.305197e-05 9.999922e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 467 479 - CA_GB1_54 O_GB1_55 1 0.000000e+00 3.405006e-06 ; 3.120121e-01 -3.405006e-06 6.854852e-01 5.052782e-01 0.004395 0.001132 True md_ensemble 5 467 480 - CA_GB1_54 N_GB1_56 1 0.000000e+00 1.069201e-05 ; 3.432285e-01 -1.069201e-05 1.533122e-01 5.647999e-01 0.004395 0.001132 True md_ensemble 5 467 481 - CA_GB1_54 CA_GB1_56 1 0.000000e+00 9.719325e-05 ; 4.125387e-01 -9.719325e-05 7.032610e-02 5.529308e-01 0.004395 0.001132 True md_ensemble 6 467 483 - CB_GB1_54 C_GB1_54 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 468 471 + CA_GB1_54 CB_GB1_55 1 0.000000e+00 6.555675e-05 ; 3.992208e-01 -6.555675e-05 9.999919e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 467 476 + CA_GB1_54 OG1_GB1_55 1 0.000000e+00 4.556240e-06 ; 3.196776e-01 -4.556240e-06 9.516067e-01 7.459692e-01 0.004395 0.001132 True md_ensemble 5 467 477 + CA_GB1_54 CG2_GB1_55 1 0.000000e+00 3.672315e-05 ; 3.803995e-01 -3.672315e-05 2.034700e-01 7.504961e-01 0.004395 0.001132 True md_ensemble 5 467 478 + CA_GB1_54 C_GB1_55 1 0.000000e+00 1.305190e-05 ; 3.489805e-01 -1.305190e-05 9.999922e-01 1.000000e+00 0.004395 0.001132 True md_ensemble 4 467 479 + CA_GB1_54 O_GB1_55 1 0.000000e+00 3.405033e-06 ; 3.120123e-01 -3.405033e-06 6.854852e-01 5.052782e-01 0.004395 0.001132 True md_ensemble 5 467 480 + CA_GB1_54 N_GB1_56 1 0.000000e+00 1.069200e-05 ; 3.432284e-01 -1.069200e-05 1.533122e-01 5.647999e-01 0.004395 0.001132 True md_ensemble 5 467 481 + CA_GB1_54 CA_GB1_56 1 0.000000e+00 9.719396e-05 ; 4.125389e-01 -9.719396e-05 7.032610e-02 5.529308e-01 0.004395 0.001132 True md_ensemble 6 467 483 + CB_GB1_54 C_GB1_54 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 468 471 CB_GB1_54 O_GB1_54 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 468 472 - CB_GB1_54 N_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 468 473 - CB_GB1_54 CA_GB1_55 1 0.000000e+00 6.555590e-05 ; 3.992203e-01 -6.555590e-05 9.999950e-01 9.999974e-01 0.004395 0.001132 True md_ensemble 4 468 475 - CB_GB1_54 CB_GB1_55 1 0.000000e+00 6.546299e-05 ; 3.991732e-01 -6.546299e-05 9.999703e-01 9.985555e-01 0.004395 0.001132 True md_ensemble 5 468 476 - CB_GB1_54 OG1_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 468 477 - CB_GB1_54 CG2_GB1_55 1 0.000000e+00 3.095960e-05 ; 3.750259e-01 -3.095960e-05 5.962450e-03 3.101882e-01 0.004395 0.001132 True md_ensemble 6 468 478 - CB_GB1_54 C_GB1_55 1 0.000000e+00 1.066027e-05 ; 3.431434e-01 -1.066027e-05 9.081610e-01 7.249231e-01 0.004395 0.001132 True md_ensemble 5 468 479 - CB_GB1_54 O_GB1_55 1 0.000000e+00 5.021157e-06 ; 3.222765e-01 -5.021157e-06 2.295521e-02 2.318545e-01 0.004395 0.001132 True md_ensemble 6 468 480 - CB_GB1_54 N_GB1_56 1 0.000000e+00 9.870152e-06 ; 3.409484e-01 -9.870152e-06 8.733850e-03 3.117251e-01 0.004395 0.001132 True md_ensemble 6 468 481 - CB_GB1_54 CA_GB1_56 1 0.000000e+00 8.741586e-05 ; 4.089098e-01 -8.741586e-05 2.376495e-02 3.572234e-01 0.004395 0.006476 True md_ensemble 7 468 483 - CB_GB1_54 CG_GB1_56 1 0.000000e+00 3.604790e-05 ; 3.798117e-01 -3.604790e-05 1.389606e-02 1.469912e-01 0.004395 0.007117 True md_ensemble 7 468 485 - CB_GB1_54 CD_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 468 486 - CB_GB1_54 OE1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 468 487 - CB_GB1_54 OE2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 468 488 - CB_GB1_54 C_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 468 489 - CB_GB1_54 O1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 468 490 - CB_GB1_54 O2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 468 491 -CG1_GB1_54 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 469 471 + CB_GB1_54 N_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 468 473 + CB_GB1_54 CA_GB1_55 1 0.000000e+00 6.555638e-05 ; 3.992206e-01 -6.555638e-05 9.999950e-01 9.999974e-01 0.004395 0.001132 True md_ensemble 4 468 475 + CB_GB1_54 CB_GB1_55 1 0.000000e+00 6.546347e-05 ; 3.991734e-01 -6.546347e-05 9.999703e-01 9.985555e-01 0.004395 0.001132 True md_ensemble 5 468 476 + CB_GB1_54 OG1_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 468 477 + CB_GB1_54 CG2_GB1_55 1 0.000000e+00 3.095958e-05 ; 3.750259e-01 -3.095958e-05 5.962450e-03 3.101882e-01 0.004395 0.001132 True md_ensemble 6 468 478 + CB_GB1_54 C_GB1_55 1 0.000000e+00 1.066021e-05 ; 3.431433e-01 -1.066021e-05 9.081610e-01 7.249231e-01 0.004395 0.001132 True md_ensemble 5 468 479 + CB_GB1_54 O_GB1_55 1 0.000000e+00 5.021196e-06 ; 3.222767e-01 -5.021196e-06 2.295521e-02 2.318545e-01 0.004395 0.001132 True md_ensemble 6 468 480 + CB_GB1_54 N_GB1_56 1 0.000000e+00 9.870136e-06 ; 3.409484e-01 -9.870136e-06 8.733850e-03 3.117251e-01 0.004395 0.001132 True md_ensemble 6 468 481 + CB_GB1_54 CA_GB1_56 1 0.000000e+00 8.741650e-05 ; 4.089101e-01 -8.741650e-05 2.376495e-02 3.572234e-01 0.004395 0.006476 True md_ensemble 7 468 483 + CB_GB1_54 CG_GB1_56 1 0.000000e+00 3.604774e-05 ; 3.798116e-01 -3.604774e-05 1.389606e-02 1.469912e-01 0.004395 0.007117 True md_ensemble 7 468 485 + CB_GB1_54 CD_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 468 486 + CB_GB1_54 OE1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 468 487 + CB_GB1_54 OE2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 468 488 + CB_GB1_54 C_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 468 489 + CB_GB1_54 O1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 468 490 + CB_GB1_54 O2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 468 491 +CG1_GB1_54 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 469 471 CG1_GB1_54 O_GB1_54 1 0.000000e+00 1.334149e-06 ; 2.885772e-01 -1.334149e-06 1.000000e+00 8.870723e-01 0.004395 0.001132 True md_ensemble 4 469 472 -CG1_GB1_54 N_GB1_55 1 0.000000e+00 2.655696e-06 ; 3.056163e-01 -2.655696e-06 1.000000e+00 9.681982e-01 0.004395 0.001132 True md_ensemble 4 469 473 -CG1_GB1_54 CA_GB1_55 1 0.000000e+00 1.736882e-05 ; 3.573901e-01 -1.736882e-05 9.999574e-01 7.316484e-01 0.004395 0.001132 True md_ensemble 5 469 475 -CG1_GB1_54 CB_GB1_55 1 0.000000e+00 2.392054e-05 ; 3.670506e-01 -2.392054e-05 2.977508e-01 3.054443e-01 0.004395 0.001132 True md_ensemble 6 469 476 -CG1_GB1_54 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 469 477 -CG1_GB1_54 C_GB1_55 1 0.000000e+00 3.032777e-06 ; 3.090165e-01 -3.032777e-06 6.432482e-01 2.849543e-01 0.004395 0.001132 True md_ensemble 6 469 479 +CG1_GB1_54 N_GB1_55 1 0.000000e+00 2.655671e-06 ; 3.056161e-01 -2.655671e-06 1.000000e+00 9.681982e-01 0.004395 0.001132 True md_ensemble 4 469 473 +CG1_GB1_54 CA_GB1_55 1 0.000000e+00 1.736881e-05 ; 3.573901e-01 -1.736881e-05 9.999574e-01 7.316484e-01 0.004395 0.001132 True md_ensemble 5 469 475 +CG1_GB1_54 CB_GB1_55 1 0.000000e+00 2.392053e-05 ; 3.670506e-01 -2.392053e-05 2.977508e-01 3.054443e-01 0.004395 0.001132 True md_ensemble 6 469 476 +CG1_GB1_54 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 469 477 +CG1_GB1_54 C_GB1_55 1 0.000000e+00 3.032738e-06 ; 3.090162e-01 -3.032738e-06 6.432482e-01 2.849543e-01 0.004395 0.001132 True md_ensemble 6 469 479 CG1_GB1_54 O_GB1_55 1 1.129735e-03 3.342348e-06 ; 3.788894e-01 9.546449e-02 1.214827e-01 1.326460e-01 0.004395 0.007862 True md_ensemble 7 469 480 -CG1_GB1_54 N_GB1_56 1 0.000000e+00 3.014185e-06 ; 3.088582e-01 -3.014185e-06 5.875133e-02 1.576454e-01 0.004395 0.001132 True md_ensemble 7 469 481 +CG1_GB1_54 N_GB1_56 1 0.000000e+00 3.014157e-06 ; 3.088580e-01 -3.014157e-06 5.875133e-02 1.576454e-01 0.004395 0.001132 True md_ensemble 7 469 481 CG1_GB1_54 CA_GB1_56 1 6.701368e-03 1.124839e-04 ; 5.060046e-01 9.981056e-02 1.508568e-01 2.072101e-01 0.004395 0.010759 True md_ensemble 7 469 483 -CG1_GB1_54 CB_GB1_56 1 0.000000e+00 1.266939e-05 ; 3.481165e-01 -1.266939e-05 2.757954e-02 1.273708e-01 0.004395 0.012151 True md_ensemble 7 469 484 +CG1_GB1_54 CB_GB1_56 1 0.000000e+00 1.266923e-05 ; 3.481162e-01 -1.266923e-05 2.757954e-02 1.273708e-01 0.004395 0.012151 True md_ensemble 7 469 484 CG1_GB1_54 CG_GB1_56 1 4.818802e-03 4.752331e-05 ; 4.630856e-01 1.221551e-01 1.089345e-01 1.095917e-01 0.004395 0.012151 True md_ensemble 7 469 485 -CG1_GB1_54 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 469 486 +CG1_GB1_54 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 469 486 CG1_GB1_54 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 469 487 CG1_GB1_54 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 469 488 -CG1_GB1_54 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 469 489 +CG1_GB1_54 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 469 489 CG1_GB1_54 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 469 490 CG1_GB1_54 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 469 491 -CG2_GB1_54 C_GB1_54 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 470 471 +CG2_GB1_54 C_GB1_54 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 470 471 CG2_GB1_54 O_GB1_54 1 0.000000e+00 1.407013e-06 ; 2.898588e-01 -1.407013e-06 9.982821e-01 9.338014e-01 0.004395 0.001132 True md_ensemble 4 470 472 -CG2_GB1_54 N_GB1_55 1 0.000000e+00 2.725649e-06 ; 3.062792e-01 -2.725649e-06 9.677274e-01 9.614287e-01 0.004395 0.001132 True md_ensemble 4 470 473 -CG2_GB1_54 CA_GB1_55 1 0.000000e+00 3.213713e-05 ; 3.761943e-01 -3.213713e-05 3.027070e-01 6.565384e-01 0.004395 0.001132 True md_ensemble 5 470 475 -CG2_GB1_54 CB_GB1_55 1 0.000000e+00 2.605721e-05 ; 3.696769e-01 -2.605721e-05 1.523157e-01 2.500201e-01 0.004395 0.001132 True md_ensemble 6 470 476 -CG2_GB1_54 OG1_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 470 477 -CG2_GB1_54 C_GB1_55 1 0.000000e+00 4.529372e-06 ; 3.195201e-01 -4.529372e-06 2.280463e-01 1.864173e-01 0.004395 0.001132 True md_ensemble 6 470 479 +CG2_GB1_54 N_GB1_55 1 0.000000e+00 2.725624e-06 ; 3.062790e-01 -2.725624e-06 9.677274e-01 9.614287e-01 0.004395 0.001132 True md_ensemble 4 470 473 +CG2_GB1_54 CA_GB1_55 1 0.000000e+00 3.213711e-05 ; 3.761943e-01 -3.213711e-05 3.027070e-01 6.565384e-01 0.004395 0.001132 True md_ensemble 5 470 475 +CG2_GB1_54 CB_GB1_55 1 0.000000e+00 2.605720e-05 ; 3.696769e-01 -2.605720e-05 1.523157e-01 2.500201e-01 0.004395 0.001132 True md_ensemble 6 470 476 +CG2_GB1_54 OG1_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 470 477 +CG2_GB1_54 C_GB1_55 1 0.000000e+00 4.529313e-06 ; 3.195197e-01 -4.529313e-06 2.280463e-01 1.864173e-01 0.004395 0.001132 True md_ensemble 6 470 479 CG2_GB1_54 O_GB1_55 1 1.258327e-03 4.549121e-06 ; 3.917620e-01 8.701609e-02 6.478149e-02 8.331997e-02 0.004395 0.007862 True md_ensemble 7 470 480 -CG2_GB1_54 N_GB1_56 1 0.000000e+00 3.043374e-06 ; 3.091064e-01 -3.043374e-06 1.899973e-02 1.285351e-01 0.004395 0.001132 True md_ensemble 7 470 481 -CG2_GB1_54 CA_GB1_56 1 0.000000e+00 2.632012e-05 ; 3.699863e-01 -2.632012e-05 5.378519e-02 1.625651e-01 0.004395 0.010759 True md_ensemble 7 470 483 -CG2_GB1_54 CB_GB1_56 1 0.000000e+00 1.254350e-05 ; 3.478269e-01 -1.254350e-05 5.928747e-03 9.479216e-02 0.004395 0.012151 True md_ensemble 7 470 484 +CG2_GB1_54 N_GB1_56 1 0.000000e+00 3.043345e-06 ; 3.091061e-01 -3.043345e-06 1.899973e-02 1.285351e-01 0.004395 0.001132 True md_ensemble 7 470 481 +CG2_GB1_54 CA_GB1_56 1 0.000000e+00 2.632011e-05 ; 3.699863e-01 -2.632011e-05 5.378519e-02 1.625651e-01 0.004395 0.010759 True md_ensemble 7 470 483 +CG2_GB1_54 CB_GB1_56 1 0.000000e+00 1.254335e-05 ; 3.478266e-01 -1.254335e-05 5.928747e-03 9.479216e-02 0.004395 0.012151 True md_ensemble 7 470 484 CG2_GB1_54 CG_GB1_56 1 4.078895e-03 4.039189e-05 ; 4.634028e-01 1.029748e-01 5.397195e-02 7.874798e-02 0.004395 0.012151 True md_ensemble 7 470 485 -CG2_GB1_54 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 470 486 +CG2_GB1_54 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 470 486 CG2_GB1_54 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 470 487 CG2_GB1_54 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 470 488 -CG2_GB1_54 C_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 470 489 +CG2_GB1_54 C_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 470 489 CG2_GB1_54 O1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 470 490 CG2_GB1_54 O2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 470 491 - C_GB1_54 CB_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 471 476 - C_GB1_54 OG1_GB1_55 1 0.000000e+00 1.022521e-06 ; 2.822503e-01 -1.022521e-06 9.843455e-01 8.797541e-01 0.004395 0.001132 True md_ensemble 4 471 477 - C_GB1_54 CG2_GB1_55 1 0.000000e+00 4.693846e-06 ; 3.204712e-01 -4.693846e-06 9.997236e-01 9.928956e-01 0.004395 0.001132 True md_ensemble 4 471 478 - C_GB1_54 O_GB1_55 1 0.000000e+00 7.199353e-07 ; 2.741171e-01 -7.199353e-07 9.972612e-01 8.678598e-01 0.004395 0.001132 True md_ensemble 4 471 480 - C_GB1_54 N_GB1_56 1 0.000000e+00 1.454454e-06 ; 2.906609e-01 -1.454454e-06 9.971976e-01 9.615948e-01 0.004395 0.001132 True md_ensemble 4 471 481 - C_GB1_54 CA_GB1_56 1 0.000000e+00 1.480214e-05 ; 3.526593e-01 -1.480214e-05 6.770455e-01 8.111471e-01 0.004395 0.001132 True md_ensemble 5 471 483 - C_GB1_54 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 471 484 - C_GB1_54 CG_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 471 485 + C_GB1_54 CB_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 471 476 + C_GB1_54 OG1_GB1_55 1 0.000000e+00 1.022505e-06 ; 2.822499e-01 -1.022505e-06 9.843455e-01 8.797541e-01 0.004395 0.001132 True md_ensemble 4 471 477 + C_GB1_54 CG2_GB1_55 1 0.000000e+00 4.693784e-06 ; 3.204709e-01 -4.693784e-06 9.997236e-01 9.928956e-01 0.004395 0.001132 True md_ensemble 4 471 478 + C_GB1_54 O_GB1_55 1 0.000000e+00 7.199320e-07 ; 2.741170e-01 -7.199320e-07 9.972612e-01 8.678598e-01 0.004395 0.001132 True md_ensemble 4 471 480 + C_GB1_54 N_GB1_56 1 0.000000e+00 1.454434e-06 ; 2.906606e-01 -1.454434e-06 9.971976e-01 9.615948e-01 0.004395 0.001132 True md_ensemble 4 471 481 + C_GB1_54 CA_GB1_56 1 0.000000e+00 1.480206e-05 ; 3.526592e-01 -1.480206e-05 6.770455e-01 8.111471e-01 0.004395 0.001132 True md_ensemble 5 471 483 + C_GB1_54 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 471 484 + C_GB1_54 CG_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 471 485 C_GB1_54 C_GB1_56 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 0.000000e+00 1.238383e-01 0.004395 0.001132 True md_ensemble 6 471 489 O_GB1_54 O_GB1_54 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 472 472 O_GB1_54 H_GB1_55 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 472 474 - O_GB1_54 CB_GB1_55 1 0.000000e+00 4.153509e-06 ; 3.172217e-01 -4.153509e-06 9.999949e-01 9.999983e-01 0.004395 0.001132 True md_ensemble 4 472 476 + O_GB1_54 CB_GB1_55 1 0.000000e+00 4.153542e-06 ; 3.172219e-01 -4.153542e-06 9.999949e-01 9.999983e-01 0.004395 0.001132 True md_ensemble 4 472 476 O_GB1_54 OG1_GB1_55 1 2.489110e-04 1.825984e-07 ; 3.003139e-01 8.482643e-02 8.557444e-01 1.653017e-01 0.004395 0.001132 True md_ensemble 5 472 477 O_GB1_54 CG2_GB1_55 1 0.000000e+00 1.828116e-06 ; 2.962525e-01 -1.828116e-06 2.910761e-01 5.065857e-01 0.004395 0.001132 True md_ensemble 5 472 478 - O_GB1_54 C_GB1_55 1 0.000000e+00 8.219627e-07 ; 2.771614e-01 -8.219627e-07 9.999942e-01 9.939718e-01 0.004395 0.001132 True md_ensemble 4 472 479 + O_GB1_54 C_GB1_55 1 0.000000e+00 8.219589e-07 ; 2.771612e-01 -8.219589e-07 9.999942e-01 9.939718e-01 0.004395 0.001132 True md_ensemble 4 472 479 O_GB1_54 O_GB1_55 1 0.000000e+00 1.849150e-06 ; 2.965350e-01 -1.849150e-06 5.463988e-01 7.791657e-01 0.004395 0.001132 True md_ensemble 5 472 480 O_GB1_54 N_GB1_56 1 0.000000e+00 1.332842e-06 ; 2.885536e-01 -1.332842e-06 9.689536e-01 8.575150e-01 0.004395 0.001132 True md_ensemble 5 472 481 - O_GB1_54 H_GB1_56 1 0.000000e+00 1.733693e-08 ; 2.009444e-01 -1.733693e-08 1.124005e-02 1.285837e-01 0.004395 0.001132 True md_ensemble 6 472 482 - O_GB1_54 CA_GB1_56 1 0.000000e+00 5.867608e-06 ; 3.264877e-01 -5.867608e-06 6.668404e-02 4.793760e-01 0.004395 0.001132 True md_ensemble 6 472 483 + O_GB1_54 H_GB1_56 1 0.000000e+00 1.733720e-08 ; 2.009447e-01 -1.733720e-08 1.124005e-02 1.285837e-01 0.004395 0.001132 True md_ensemble 6 472 482 + O_GB1_54 CA_GB1_56 1 0.000000e+00 5.867655e-06 ; 3.264879e-01 -5.867655e-06 6.668404e-02 4.793760e-01 0.004395 0.001132 True md_ensemble 6 472 483 O_GB1_54 CB_GB1_56 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 2.916032e-03 1.098477e-01 0.004395 0.007862 True md_ensemble 7 472 484 O_GB1_54 CG_GB1_56 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 1.584020e-03 1.208866e-01 0.004395 0.007862 True md_ensemble 7 472 485 O_GB1_54 OE1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 472 487 O_GB1_54 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 472 488 O_GB1_54 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 472 490 O_GB1_54 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 472 491 - N_GB1_55 CB_GB1_55 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 473 476 - N_GB1_55 CG2_GB1_55 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 473 478 - N_GB1_55 CA_GB1_56 1 0.000000e+00 7.574834e-06 ; 3.335104e-01 -7.574834e-06 1.000000e+00 9.999788e-01 0.004395 0.001132 True md_ensemble 4 473 483 - N_GB1_55 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 473 484 - N_GB1_55 CG_GB1_56 1 0.000000e+00 4.237330e-06 ; 3.177503e-01 -4.237330e-06 4.713222e-03 1.573889e-01 0.004395 0.001132 True md_ensemble 6 473 485 + N_GB1_55 CB_GB1_55 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 473 476 + N_GB1_55 CG2_GB1_55 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 473 478 + N_GB1_55 CA_GB1_56 1 0.000000e+00 7.574822e-06 ; 3.335104e-01 -7.574822e-06 1.000000e+00 9.999788e-01 0.004395 0.001132 True md_ensemble 4 473 483 + N_GB1_55 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 473 484 + N_GB1_55 CG_GB1_56 1 0.000000e+00 4.237274e-06 ; 3.177500e-01 -4.237274e-06 4.713222e-03 1.573889e-01 0.004395 0.001132 True md_ensemble 6 473 485 N_GB1_55 C_GB1_56 1 0.000000e+00 1.508149e-06 ; 2.915404e-01 -1.508149e-06 0.000000e+00 8.963936e-02 0.004395 0.001132 True md_ensemble 5 473 489 N_GB1_55 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 0.000000e+00 1.977596e-02 0.004395 0.001132 True md_ensemble 6 473 490 N_GB1_55 O2_GB1_56 1 0.000000e+00 1.500000e-06 ; 2.914088e-01 -1.500000e-06 0.000000e+00 2.784332e-01 0.004395 0.001132 True md_ensemble 6 473 491 H_GB1_55 H_GB1_55 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 474 474 - H_GB1_55 OG1_GB1_55 1 0.000000e+00 2.486217e-08 ; 2.070729e-01 -2.486217e-08 6.108971e-01 7.712176e-01 0.004395 0.001132 True md_ensemble 4 474 477 - H_GB1_55 O_GB1_55 1 0.000000e+00 6.569716e-09 ; 1.853349e-01 -6.569716e-09 9.868924e-01 4.103025e-01 0.004395 0.001132 True md_ensemble 4 474 480 + H_GB1_55 OG1_GB1_55 1 0.000000e+00 2.486228e-08 ; 2.070730e-01 -2.486228e-08 6.108971e-01 7.712176e-01 0.004395 0.001132 True md_ensemble 4 474 477 + H_GB1_55 O_GB1_55 1 0.000000e+00 6.569820e-09 ; 1.853351e-01 -6.569820e-09 9.868924e-01 4.103025e-01 0.004395 0.001132 True md_ensemble 4 474 480 H_GB1_55 H_GB1_56 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 474 482 H_GB1_55 OE1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 474 487 H_GB1_55 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 474 488 H_GB1_55 O1_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 474 490 H_GB1_55 O2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 474 491 - CA_GB1_55 CB_GB1_56 1 0.000000e+00 3.181365e-05 ; 3.758773e-01 -3.181365e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 475 484 - CA_GB1_55 CG_GB1_56 1 0.000000e+00 3.516124e-05 ; 3.790243e-01 -3.516124e-05 7.338660e-01 8.390909e-01 0.004395 0.001132 True md_ensemble 5 475 485 + CA_GB1_55 CB_GB1_56 1 0.000000e+00 3.181352e-05 ; 3.758772e-01 -3.181352e-05 1.000000e+00 1.000000e+00 0.004395 0.001132 True md_ensemble 4 475 484 + CA_GB1_55 CG_GB1_56 1 0.000000e+00 3.516109e-05 ; 3.790241e-01 -3.516109e-05 7.338660e-01 8.390909e-01 0.004395 0.001132 True md_ensemble 5 475 485 CA_GB1_55 CD_GB1_56 1 0.000000e+00 1.305186e-05 ; 3.489804e-01 -1.305186e-05 1.089450e-04 4.804214e-02 0.004395 0.001132 True md_ensemble 6 475 486 - CA_GB1_55 C_GB1_56 1 0.000000e+00 1.305184e-05 ; 3.489803e-01 -1.305184e-05 1.000000e+00 9.999979e-01 0.004395 0.001132 True md_ensemble 4 475 489 + CA_GB1_55 C_GB1_56 1 0.000000e+00 1.305177e-05 ; 3.489802e-01 -1.305177e-05 1.000000e+00 9.999979e-01 0.004395 0.001132 True md_ensemble 4 475 489 CA_GB1_55 O1_GB1_56 1 1.967281e-03 1.046850e-05 ; 4.178333e-01 9.242474e-02 4.710819e-01 7.853573e-02 0.004395 0.001132 True md_ensemble 5 475 490 CA_GB1_55 O2_GB1_56 1 1.967281e-03 1.046850e-05 ; 4.178333e-01 9.242474e-02 4.710819e-01 7.853573e-02 0.004395 0.001132 True md_ensemble 5 475 491 - CB_GB1_55 OG1_GB1_55 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 476 477 - CB_GB1_55 C_GB1_55 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 476 479 + CB_GB1_55 OG1_GB1_55 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 476 477 + CB_GB1_55 C_GB1_55 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 476 479 CB_GB1_55 O_GB1_55 1 1.063501e-03 2.827587e-06 ; 3.722028e-01 1.000000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 476 480 - CB_GB1_55 N_GB1_56 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 476 481 - CB_GB1_55 CA_GB1_56 1 0.000000e+00 6.555583e-05 ; 3.992203e-01 -6.555583e-05 9.999980e-01 9.999993e-01 0.004395 0.001132 True md_ensemble 4 476 483 - CB_GB1_55 CB_GB1_56 1 0.000000e+00 3.073956e-05 ; 3.748031e-01 -3.073956e-05 9.719559e-01 9.381940e-01 0.004395 0.001132 True md_ensemble 5 476 484 - CB_GB1_55 CG_GB1_56 1 0.000000e+00 4.438003e-05 ; 3.864506e-01 -4.438003e-05 4.112140e-02 4.361208e-01 0.004395 0.001132 True md_ensemble 6 476 485 - CB_GB1_55 CD_GB1_56 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 476 486 - CB_GB1_55 OE1_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 476 487 - CB_GB1_55 OE2_GB1_56 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 476 488 - CB_GB1_55 C_GB1_56 1 0.000000e+00 8.620194e-06 ; 3.371228e-01 -8.620194e-06 9.997668e-01 6.602237e-01 0.004395 0.001132 True md_ensemble 5 476 489 + CB_GB1_55 N_GB1_56 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 476 481 + CB_GB1_55 CA_GB1_56 1 0.000000e+00 6.555631e-05 ; 3.992205e-01 -6.555631e-05 9.999980e-01 9.999993e-01 0.004395 0.001132 True md_ensemble 4 476 483 + CB_GB1_55 CB_GB1_56 1 0.000000e+00 3.073943e-05 ; 3.748029e-01 -3.073943e-05 9.719559e-01 9.381940e-01 0.004395 0.001132 True md_ensemble 5 476 484 + CB_GB1_55 CG_GB1_56 1 0.000000e+00 4.437984e-05 ; 3.864504e-01 -4.437984e-05 4.112140e-02 4.361208e-01 0.004395 0.001132 True md_ensemble 6 476 485 + CB_GB1_55 CD_GB1_56 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 476 486 + CB_GB1_55 OE1_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 476 487 + CB_GB1_55 OE2_GB1_56 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 476 488 + CB_GB1_55 C_GB1_56 1 0.000000e+00 8.620150e-06 ; 3.371226e-01 -8.620150e-06 9.997668e-01 6.602237e-01 0.004395 0.001132 True md_ensemble 5 476 489 CB_GB1_55 O1_GB1_56 1 2.374604e-03 1.182416e-05 ; 4.132345e-01 1.192208e-01 2.871160e-01 2.847473e-02 0.004395 0.001132 True md_ensemble 6 476 490 CB_GB1_55 O2_GB1_56 1 2.374604e-03 1.182416e-05 ; 4.132345e-01 1.192208e-01 2.871160e-01 2.847473e-02 0.004395 0.001132 True md_ensemble 6 476 491 -OG1_GB1_55 CG2_GB1_55 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 477 478 -OG1_GB1_55 O_GB1_55 1 0.000000e+00 4.788656e-07 ; 2.649595e-01 -4.788656e-07 4.005520e-01 7.182667e-01 0.004395 0.001132 True md_ensemble 4 477 480 -OG1_GB1_55 N_GB1_56 1 0.000000e+00 1.057293e-06 ; 2.830379e-01 -1.057293e-06 1.275419e-01 7.228129e-01 0.004395 0.001132 True md_ensemble 4 477 481 -OG1_GB1_55 H_GB1_56 1 0.000000e+00 2.430796e-08 ; 2.066842e-01 -2.430796e-08 3.174123e-02 1.661969e-01 0.004395 0.001132 True md_ensemble 5 477 482 -OG1_GB1_55 CA_GB1_56 1 0.000000e+00 8.625882e-06 ; 3.371413e-01 -8.625882e-06 6.312458e-02 5.670081e-01 0.004395 0.001132 True md_ensemble 5 477 483 -OG1_GB1_55 CB_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 477 484 -OG1_GB1_55 CG_GB1_56 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 477 485 -OG1_GB1_55 C_GB1_56 1 0.000000e+00 1.186275e-06 ; 2.857659e-01 -1.186275e-06 3.191777e-02 7.072312e-02 0.004395 0.001132 True md_ensemble 6 477 489 +OG1_GB1_55 CG2_GB1_55 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 477 478 +OG1_GB1_55 O_GB1_55 1 0.000000e+00 4.788642e-07 ; 2.649594e-01 -4.788642e-07 4.005520e-01 7.182667e-01 0.004395 0.001132 True md_ensemble 4 477 480 +OG1_GB1_55 N_GB1_56 1 0.000000e+00 1.057280e-06 ; 2.830376e-01 -1.057280e-06 1.275419e-01 7.228129e-01 0.004395 0.001132 True md_ensemble 4 477 481 +OG1_GB1_55 H_GB1_56 1 0.000000e+00 2.430807e-08 ; 2.066843e-01 -2.430807e-08 3.174123e-02 1.661969e-01 0.004395 0.001132 True md_ensemble 5 477 482 +OG1_GB1_55 CA_GB1_56 1 0.000000e+00 8.625853e-06 ; 3.371412e-01 -8.625853e-06 6.312458e-02 5.670081e-01 0.004395 0.001132 True md_ensemble 5 477 483 +OG1_GB1_55 CB_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 477 484 +OG1_GB1_55 CG_GB1_56 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 477 485 +OG1_GB1_55 C_GB1_56 1 0.000000e+00 1.186256e-06 ; 2.857655e-01 -1.186256e-06 3.191777e-02 7.072312e-02 0.004395 0.001132 True md_ensemble 6 477 489 OG1_GB1_55 O1_GB1_56 1 2.213608e-04 1.354079e-07 ; 2.913560e-01 9.046850e-02 6.535372e-03 6.481302e-03 0.004395 0.011584 True md_ensemble 7 477 490 OG1_GB1_55 O2_GB1_56 1 2.213608e-04 1.354079e-07 ; 2.913560e-01 9.046850e-02 6.535372e-03 6.481302e-03 0.004395 0.011584 True md_ensemble 7 477 491 -CG2_GB1_55 C_GB1_55 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 478 479 +CG2_GB1_55 C_GB1_55 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 478 479 CG2_GB1_55 O_GB1_55 1 0.000000e+00 1.325288e-06 ; 2.884170e-01 -1.325288e-06 9.991181e-01 8.802987e-01 0.004395 0.001132 True md_ensemble 4 478 480 -CG2_GB1_55 N_GB1_56 1 0.000000e+00 2.618912e-06 ; 3.052613e-01 -2.618912e-06 9.999623e-01 9.547498e-01 0.004395 0.001132 True md_ensemble 4 478 481 -CG2_GB1_55 CA_GB1_56 1 0.000000e+00 1.505138e-05 ; 3.531504e-01 -1.505138e-05 9.956379e-01 6.297030e-01 0.004395 0.001132 True md_ensemble 5 478 483 -CG2_GB1_55 CB_GB1_56 1 0.000000e+00 9.012616e-06 ; 3.383758e-01 -9.012616e-06 3.800036e-01 1.623616e-01 0.004395 0.001132 True md_ensemble 6 478 484 -CG2_GB1_55 CD_GB1_56 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 478 486 +CG2_GB1_55 N_GB1_56 1 0.000000e+00 2.618887e-06 ; 3.052611e-01 -2.618887e-06 9.999623e-01 9.547498e-01 0.004395 0.001132 True md_ensemble 4 478 481 +CG2_GB1_55 CA_GB1_56 1 0.000000e+00 1.505137e-05 ; 3.531504e-01 -1.505137e-05 9.956379e-01 6.297030e-01 0.004395 0.001132 True md_ensemble 5 478 483 +CG2_GB1_55 CB_GB1_56 1 0.000000e+00 9.012506e-06 ; 3.383754e-01 -9.012506e-06 3.800036e-01 1.623616e-01 0.004395 0.001132 True md_ensemble 6 478 484 +CG2_GB1_55 CD_GB1_56 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 478 486 CG2_GB1_55 OE1_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 478 487 CG2_GB1_55 OE2_GB1_56 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 478 488 CG2_GB1_55 C_GB1_56 1 9.012373e-04 2.209365e-06 ; 3.672017e-01 9.190749e-02 9.487670e-01 1.597661e-01 0.004395 0.001132 True md_ensemble 6 478 489 CG2_GB1_55 O1_GB1_56 1 1.071865e-03 1.448391e-06 ; 3.324994e-01 1.983055e-01 5.180955e-01 1.109377e-02 0.004395 0.001132 True md_ensemble 7 478 490 CG2_GB1_55 O2_GB1_56 1 1.071865e-03 1.448391e-06 ; 3.324994e-01 1.983055e-01 5.180955e-01 1.109377e-02 0.004395 0.001132 True md_ensemble 7 478 491 - C_GB1_55 CB_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 479 484 - C_GB1_55 CG_GB1_56 1 0.000000e+00 6.331303e-06 ; 3.285636e-01 -6.331303e-06 9.999687e-01 9.995490e-01 0.004395 0.001132 True md_ensemble 4 479 485 + C_GB1_55 CB_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 479 484 + C_GB1_55 CG_GB1_56 1 0.000000e+00 6.331196e-06 ; 3.285631e-01 -6.331196e-06 9.999687e-01 9.995490e-01 0.004395 0.001132 True md_ensemble 4 479 485 C_GB1_55 CD_GB1_56 1 0.000000e+00 2.598570e-06 ; 3.050630e-01 -2.598570e-06 3.321422e-03 1.270386e-01 0.004395 0.001132 True md_ensemble 5 479 486 C_GB1_55 OE1_GB1_56 1 0.000000e+00 6.694014e-07 ; 2.724597e-01 -6.694014e-07 1.179750e-05 1.292784e-02 0.004395 0.001132 True md_ensemble 6 479 487 C_GB1_55 OE2_GB1_56 1 0.000000e+00 6.694014e-07 ; 2.724597e-01 -6.694014e-07 3.612500e-06 1.297837e-02 0.004395 0.001132 True md_ensemble 6 479 488 - C_GB1_55 O1_GB1_56 1 0.000000e+00 4.168059e-07 ; 2.619125e-01 -4.168059e-07 9.744082e-01 5.970629e-01 0.004395 0.001132 True md_ensemble 4 479 490 - C_GB1_55 O2_GB1_56 1 0.000000e+00 4.168059e-07 ; 2.619125e-01 -4.168059e-07 9.744082e-01 5.970629e-01 0.004395 0.001132 True md_ensemble 4 479 491 + C_GB1_55 O1_GB1_56 1 0.000000e+00 4.168041e-07 ; 2.619124e-01 -4.168041e-07 9.744082e-01 5.970629e-01 0.004395 0.001132 True md_ensemble 4 479 490 + C_GB1_55 O2_GB1_56 1 0.000000e+00 4.168041e-07 ; 2.619124e-01 -4.168041e-07 9.744082e-01 5.970629e-01 0.004395 0.001132 True md_ensemble 4 479 491 O_GB1_55 O_GB1_55 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 480 480 O_GB1_55 H_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 480 482 - O_GB1_55 CB_GB1_56 1 0.000000e+00 2.015614e-06 ; 2.986728e-01 -2.015614e-06 9.999958e-01 9.999748e-01 0.004395 0.001132 True md_ensemble 4 480 484 - O_GB1_55 CG_GB1_56 1 0.000000e+00 2.000908e-06 ; 2.984906e-01 -2.000908e-06 6.288529e-01 6.215363e-01 0.004395 0.001132 True md_ensemble 5 480 485 + O_GB1_55 CB_GB1_56 1 0.000000e+00 2.015606e-06 ; 2.986727e-01 -2.015606e-06 9.999958e-01 9.999748e-01 0.004395 0.001132 True md_ensemble 4 480 484 + O_GB1_55 CG_GB1_56 1 0.000000e+00 2.000901e-06 ; 2.984905e-01 -2.000901e-06 6.288529e-01 6.215363e-01 0.004395 0.001132 True md_ensemble 5 480 485 O_GB1_55 CD_GB1_56 1 0.000000e+00 8.269429e-07 ; 2.773009e-01 -8.269429e-07 2.145950e-04 3.621014e-02 0.004395 0.001132 True md_ensemble 6 480 486 O_GB1_55 OE1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 480 487 O_GB1_55 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 480 488 - O_GB1_55 C_GB1_56 1 0.000000e+00 8.166375e-07 ; 2.770113e-01 -8.166375e-07 9.999963e-01 9.875343e-01 0.004395 0.001132 True md_ensemble 4 480 489 + O_GB1_55 C_GB1_56 1 0.000000e+00 8.166337e-07 ; 2.770112e-01 -8.166337e-07 9.999963e-01 9.875343e-01 0.004395 0.001132 True md_ensemble 4 480 489 O_GB1_55 O1_GB1_56 1 0.000000e+00 1.183113e-06 ; 2.857024e-01 -1.183113e-06 9.270410e-01 7.157831e-01 0.004395 0.001132 True md_ensemble 5 480 490 O_GB1_55 O2_GB1_56 1 0.000000e+00 1.183113e-06 ; 2.857024e-01 -1.183113e-06 9.270410e-01 7.157831e-01 0.004395 0.001132 True md_ensemble 5 480 491 - N_GB1_56 CB_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 481 484 - N_GB1_56 CG_GB1_56 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 481 485 - N_GB1_56 CD_GB1_56 1 0.000000e+00 1.628009e-06 ; 2.934043e-01 -1.628009e-06 6.087653e-01 6.882405e-01 0.004395 0.001132 True md_ensemble 4 481 486 + N_GB1_56 CB_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 481 484 + N_GB1_56 CG_GB1_56 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 481 485 + N_GB1_56 CD_GB1_56 1 0.000000e+00 1.627986e-06 ; 2.934039e-01 -1.627986e-06 6.087653e-01 6.882405e-01 0.004395 0.001132 True md_ensemble 4 481 486 N_GB1_56 OE1_GB1_56 1 0.000000e+00 1.690946e-06 ; 2.943331e-01 -1.690946e-06 2.722732e-02 1.545247e-01 0.004395 0.001132 True md_ensemble 5 481 487 N_GB1_56 OE2_GB1_56 1 0.000000e+00 1.690946e-06 ; 2.943331e-01 -1.690946e-06 2.722732e-02 1.545247e-01 0.004395 0.001132 True md_ensemble 5 481 488 H_GB1_56 H_GB1_56 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 482 482 @@ -44407,30 +44407,30 @@ CG2_GB1_55 O2_GB1_56 1 1.071865e-03 1.448391e-06 ; 3.324994e-01 1.983055e- H_GB1_56 OE2_GB1_56 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 482 488 H_GB1_56 O1_GB1_56 1 3.784076e-05 3.999204e-09 ; 2.174381e-01 8.951300e-02 3.332892e-01 5.878994e-02 0.004395 0.001132 True md_ensemble 4 482 490 H_GB1_56 O2_GB1_56 1 3.784076e-05 3.999204e-09 ; 2.174381e-01 8.951300e-02 3.332892e-01 5.878994e-02 0.004395 0.001132 True md_ensemble 4 482 491 - CA_GB1_56 OE1_GB1_56 1 0.000000e+00 3.335634e-06 ; 3.114774e-01 -3.335634e-06 9.861239e-01 9.782199e-01 0.004395 0.001132 True md_ensemble 4 483 487 - CA_GB1_56 OE2_GB1_56 1 0.000000e+00 3.335634e-06 ; 3.114774e-01 -3.335634e-06 9.861239e-01 9.782199e-01 0.004395 0.001132 True md_ensemble 4 483 488 - CB_GB1_56 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 484 486 - CB_GB1_56 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 484 487 - CB_GB1_56 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 484 488 - CB_GB1_56 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 484 489 - CB_GB1_56 O1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 484 490 - CB_GB1_56 O2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 484 491 - CG_GB1_56 CD_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 485 486 - CG_GB1_56 OE1_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 485 487 - CG_GB1_56 OE2_GB1_56 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 485 488 - CG_GB1_56 C_GB1_56 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 485 489 - CG_GB1_56 O1_GB1_56 1 0.000000e+00 1.575437e-06 ; 2.926028e-01 -1.575437e-06 8.889936e-01 8.545407e-01 0.004395 0.001132 True md_ensemble 4 485 490 - CG_GB1_56 O2_GB1_56 1 0.000000e+00 1.575437e-06 ; 2.926028e-01 -1.575437e-06 8.889936e-01 8.545407e-01 0.004395 0.001132 True md_ensemble 4 485 491 - CD_GB1_56 C_GB1_56 1 0.000000e+00 2.864604e-06 ; 3.075509e-01 -2.864604e-06 6.087819e-01 7.111589e-01 0.004395 0.001132 True md_ensemble 4 486 489 - CD_GB1_56 O1_GB1_56 1 0.000000e+00 6.588006e-07 ; 2.720975e-01 -6.588006e-07 3.746393e-02 2.162771e-02 0.004395 0.001132 True md_ensemble 5 486 490 - CD_GB1_56 O2_GB1_56 1 0.000000e+00 6.588006e-07 ; 2.720975e-01 -6.588006e-07 3.746393e-02 2.162771e-02 0.004395 0.001132 True md_ensemble 5 486 491 + CA_GB1_56 OE1_GB1_56 1 0.000000e+00 3.335662e-06 ; 3.114776e-01 -3.335662e-06 9.861239e-01 9.782199e-01 0.004395 0.001132 True md_ensemble 4 483 487 + CA_GB1_56 OE2_GB1_56 1 0.000000e+00 3.335662e-06 ; 3.114776e-01 -3.335662e-06 9.861239e-01 9.782199e-01 0.004395 0.001132 True md_ensemble 4 483 488 + CB_GB1_56 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 484 486 + CB_GB1_56 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 484 487 + CB_GB1_56 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 484 488 + CB_GB1_56 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 484 489 + CB_GB1_56 O1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 484 490 + CB_GB1_56 O2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 484 491 + CG_GB1_56 CD_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 485 486 + CG_GB1_56 OE1_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 485 487 + CG_GB1_56 OE2_GB1_56 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 485 488 + CG_GB1_56 C_GB1_56 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 485 489 + CG_GB1_56 O1_GB1_56 1 0.000000e+00 1.575431e-06 ; 2.926027e-01 -1.575431e-06 8.889936e-01 8.545407e-01 0.004395 0.001132 True md_ensemble 4 485 490 + CG_GB1_56 O2_GB1_56 1 0.000000e+00 1.575431e-06 ; 2.926027e-01 -1.575431e-06 8.889936e-01 8.545407e-01 0.004395 0.001132 True md_ensemble 4 485 491 + CD_GB1_56 C_GB1_56 1 0.000000e+00 2.864553e-06 ; 3.075505e-01 -2.864553e-06 6.087819e-01 7.111589e-01 0.004395 0.001132 True md_ensemble 4 486 489 + CD_GB1_56 O1_GB1_56 1 0.000000e+00 6.587977e-07 ; 2.720974e-01 -6.587977e-07 3.746393e-02 2.162771e-02 0.004395 0.001132 True md_ensemble 5 486 490 + CD_GB1_56 O2_GB1_56 1 0.000000e+00 6.587977e-07 ; 2.720974e-01 -6.587977e-07 3.746393e-02 2.162771e-02 0.004395 0.001132 True md_ensemble 5 486 491 OE1_GB1_56 OE1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 487 487 OE1_GB1_56 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 487 488 -OE1_GB1_56 C_GB1_56 1 0.000000e+00 6.635695e-07 ; 2.722611e-01 -6.635695e-07 4.656079e-02 3.784870e-02 0.004395 0.001132 True md_ensemble 5 487 489 +OE1_GB1_56 C_GB1_56 1 0.000000e+00 6.635666e-07 ; 2.722610e-01 -6.635666e-07 4.656079e-02 3.784870e-02 0.004395 0.001132 True md_ensemble 5 487 489 OE1_GB1_56 O1_GB1_56 1 0.000000e+00 1.455410e-06 ; 2.906769e-01 -1.455410e-06 5.033895e-02 2.061240e-02 0.004395 0.001132 True md_ensemble 6 487 490 OE1_GB1_56 O2_GB1_56 1 0.000000e+00 1.455410e-06 ; 2.906769e-01 -1.455410e-06 5.033895e-02 2.061240e-02 0.004395 0.001132 True md_ensemble 6 487 491 OE2_GB1_56 OE2_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 488 488 -OE2_GB1_56 C_GB1_56 1 0.000000e+00 6.635695e-07 ; 2.722611e-01 -6.635695e-07 4.656079e-02 3.784870e-02 0.004395 0.001132 True md_ensemble 5 488 489 +OE2_GB1_56 C_GB1_56 1 0.000000e+00 6.635666e-07 ; 2.722610e-01 -6.635666e-07 4.656079e-02 3.784870e-02 0.004395 0.001132 True md_ensemble 5 488 489 OE2_GB1_56 O1_GB1_56 1 0.000000e+00 1.455410e-06 ; 2.906769e-01 -1.455410e-06 5.033895e-02 2.061240e-02 0.004395 0.001132 True md_ensemble 6 488 490 OE2_GB1_56 O2_GB1_56 1 0.000000e+00 1.455410e-06 ; 2.906769e-01 -1.455410e-06 5.033895e-02 2.061240e-02 0.004395 0.001132 True md_ensemble 6 488 491 O1_GB1_56 O1_GB1_56 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000e+00 1.000000e+00 1.000000 1.000000 False mg 7 490 490 diff --git a/test/test_outputs/gpref/case_2/topol_mego.top b/test/test_outputs/gpref/case_2/topol_mego.top index ee714385..2c6d3686 100644 --- a/test/test_outputs/gpref/case_2/topol_mego.top +++ b/test/test_outputs/gpref/case_2/topol_mego.top @@ -2345,431 +2345,431 @@ GB1 3 3 9 1 0.000000e+00 2.700000e-06 ; 1.000000 0.999995 md_ensemble 4 7 1 0.000000e+00 1.200000e-06 ; 1.000000 0.999997 md_ensemble 7 12 1 0.000000e+00 1.299682e-06 ; 0.999998 0.999994 md_ensemble - 7 15 1 0.000000e+00 1.299285e-06 ; 0.999996 0.999997 md_ensemble - 9 13 1 0.000000e+00 1.325534e-07 ; 0.999964 0.976082 md_ensemble - 9 14 1 0.000000e+00 5.485852e-07 ; 0.999996 0.999995 md_ensemble - 9 17 1 0.000000e+00 3.002258e-07 ; 1.000000 0.999998 md_ensemble + 7 15 1 0.000000e+00 1.299262e-06 ; 0.999996 0.999997 md_ensemble + 9 13 1 0.000000e+00 1.325518e-07 ; 0.999964 0.976082 md_ensemble + 9 14 1 0.000000e+00 5.485800e-07 ; 0.999996 0.999995 md_ensemble + 9 17 1 0.000000e+00 3.002227e-07 ; 1.000000 0.999998 md_ensemble 12 16 1 0.000000e+00 1.500000e-06 ; 1.000000 0.999992 md_ensemble 12 17 1 0.000000e+00 2.700000e-06 ; 0.999995 0.999985 md_ensemble - 13 15 1 0.000000e+00 2.854902e-07 ; 1.000000 0.998793 md_ensemble - 14 15 1 0.000000e+00 1.181529e-06 ; 1.000000 1.000000 md_ensemble + 13 15 1 0.000000e+00 2.854856e-07 ; 1.000000 0.998793 md_ensemble + 14 15 1 0.000000e+00 1.181513e-06 ; 1.000000 1.000000 md_ensemble 15 20 1 0.000000e+00 1.299682e-06 ; 1.000000 0.999999 md_ensemble - 15 28 1 0.000000e+00 1.299285e-06 ; 0.999998 1.000000 md_ensemble - 17 21 1 0.000000e+00 3.016298e-07 ; 0.999997 0.998471 md_ensemble - 17 30 1 0.000000e+00 3.002258e-07 ; 1.000000 0.999971 md_ensemble + 15 28 1 0.000000e+00 1.299262e-06 ; 0.999998 1.000000 md_ensemble + 17 21 1 0.000000e+00 3.016255e-07 ; 0.999997 0.998471 md_ensemble + 17 30 1 0.000000e+00 3.002227e-07 ; 1.000000 0.999971 md_ensemble 19 22 1 0.000000e+00 5.000000e-07 ; 0.999997 0.999987 md_ensemble 19 23 1 0.000000e+00 5.000000e-07 ; 1.000000 0.999993 md_ensemble 20 29 1 0.000000e+00 1.500000e-06 ; 0.999998 1.000000 md_ensemble 20 30 1 0.000000e+00 2.700000e-06 ; 1.000000 1.000000 md_ensemble - 21 28 1 0.000000e+00 6.496425e-07 ; 1.000000 0.999987 md_ensemble + 21 28 1 0.000000e+00 6.496310e-07 ; 1.000000 0.999987 md_ensemble 28 33 1 0.000000e+00 1.299682e-06 ; 1.000000 0.999992 md_ensemble - 28 38 1 0.000000e+00 1.299285e-06 ; 0.999997 0.999991 md_ensemble + 28 38 1 0.000000e+00 1.299262e-06 ; 0.999997 0.999991 md_ensemble 30 34 1 0.000000e+00 5.500000e-07 ; 0.999999 0.999997 md_ensemble - 30 40 1 0.000000e+00 3.002258e-07 ; 0.999999 0.999999 md_ensemble + 30 40 1 0.000000e+00 3.002227e-07 ; 0.999999 0.999999 md_ensemble 32 35 1 0.000000e+00 5.000000e-07 ; 0.999947 0.999728 md_ensemble 33 39 1 0.000000e+00 1.500000e-06 ; 0.999995 1.000000 md_ensemble 33 40 1 0.000000e+00 2.700000e-06 ; 0.999998 0.999992 md_ensemble 34 38 1 0.000000e+00 1.200000e-06 ; 0.999996 0.999984 md_ensemble 38 43 1 0.000000e+00 1.299682e-06 ; 0.999998 0.999996 md_ensemble - 38 47 1 0.000000e+00 1.299285e-06 ; 0.999999 0.999989 md_ensemble + 38 47 1 0.000000e+00 1.299262e-06 ; 0.999999 0.999989 md_ensemble 40 44 1 0.000000e+00 5.500000e-07 ; 1.000000 0.999996 md_ensemble - 40 49 1 0.000000e+00 3.002258e-07 ; 0.999998 1.000000 md_ensemble + 40 49 1 0.000000e+00 3.002227e-07 ; 0.999998 1.000000 md_ensemble 42 45 1 0.000000e+00 5.000000e-07 ; 0.999997 0.999872 md_ensemble 42 46 1 0.000000e+00 5.000000e-07 ; 0.999979 0.999921 md_ensemble 43 48 1 0.000000e+00 1.500000e-06 ; 1.000000 0.999998 md_ensemble 43 49 1 0.000000e+00 2.700000e-06 ; 1.000000 1.000000 md_ensemble 44 47 1 0.000000e+00 1.200000e-06 ; 1.000000 1.000000 md_ensemble 47 52 1 0.000000e+00 1.299682e-06 ; 1.000000 0.999998 md_ensemble - 47 56 1 0.000000e+00 1.299285e-06 ; 1.000000 1.000000 md_ensemble + 47 56 1 0.000000e+00 1.299262e-06 ; 1.000000 1.000000 md_ensemble 49 53 1 0.000000e+00 5.500000e-07 ; 1.000000 0.999993 md_ensemble - 49 54 1 0.000000e+00 5.485852e-07 ; 0.999996 0.999977 md_ensemble - 49 58 1 0.000000e+00 3.002258e-07 ; 0.999996 0.999989 md_ensemble + 49 54 1 0.000000e+00 5.485800e-07 ; 0.999996 0.999977 md_ensemble + 49 58 1 0.000000e+00 3.002227e-07 ; 0.999996 0.999989 md_ensemble 51 55 1 0.000000e+00 5.000000e-07 ; 0.999995 0.999854 md_ensemble 52 57 1 0.000000e+00 1.500000e-06 ; 1.000000 1.000000 md_ensemble 52 58 1 0.000000e+00 2.700000e-06 ; 1.000000 1.000000 md_ensemble 53 56 1 0.000000e+00 1.200000e-06 ; 1.000000 0.999999 md_ensemble - 54 56 1 0.000000e+00 1.181529e-06 ; 1.000000 0.999998 md_ensemble + 54 56 1 0.000000e+00 1.181513e-06 ; 1.000000 0.999998 md_ensemble 56 61 1 0.000000e+00 1.299682e-06 ; 0.999993 0.999994 md_ensemble - 56 65 1 0.000000e+00 1.299285e-06 ; 0.999991 1.000000 md_ensemble + 56 65 1 0.000000e+00 1.299262e-06 ; 0.999991 1.000000 md_ensemble 58 62 1 0.000000e+00 5.500000e-07 ; 1.000000 1.000000 md_ensemble - 58 67 1 0.000000e+00 3.002258e-07 ; 1.000000 0.999995 md_ensemble + 58 67 1 0.000000e+00 3.002227e-07 ; 1.000000 0.999995 md_ensemble 60 63 1 0.000000e+00 5.000000e-07 ; 0.999992 0.999918 md_ensemble 60 64 1 0.000000e+00 5.000000e-07 ; 0.999999 0.999984 md_ensemble 61 66 1 0.000000e+00 1.500000e-06 ; 0.999997 1.000000 md_ensemble 61 67 1 0.000000e+00 2.700000e-06 ; 0.999999 0.999987 md_ensemble 62 65 1 0.000000e+00 1.200000e-06 ; 0.999993 0.999994 md_ensemble 65 70 1 0.000000e+00 1.299682e-06 ; 0.999999 0.999979 md_ensemble - 65 74 1 0.000000e+00 1.299285e-06 ; 1.000000 1.000000 md_ensemble - 67 71 1 0.000000e+00 3.016298e-07 ; 0.999998 0.998166 md_ensemble - 67 76 1 0.000000e+00 3.002258e-07 ; 1.000000 0.999996 md_ensemble - 69 72 1 0.000000e+00 4.153495e-07 ; 1.000000 0.999992 md_ensemble + 65 74 1 0.000000e+00 1.299262e-06 ; 1.000000 1.000000 md_ensemble + 67 71 1 0.000000e+00 3.016255e-07 ; 0.999998 0.998166 md_ensemble + 67 76 1 0.000000e+00 3.002227e-07 ; 1.000000 0.999996 md_ensemble + 69 72 1 0.000000e+00 4.153528e-07 ; 1.000000 0.999992 md_ensemble 69 73 1 0.000000e+00 5.000000e-07 ; 0.999998 0.999996 md_ensemble 70 75 1 0.000000e+00 1.500000e-06 ; 1.000000 0.999997 md_ensemble 70 76 1 0.000000e+00 2.700000e-06 ; 0.999996 0.999995 md_ensemble - 71 74 1 0.000000e+00 6.496425e-07 ; 0.999995 1.000000 md_ensemble - 74 79 1 0.000000e+00 1.299285e-06 ; 0.999998 1.000000 md_ensemble - 76 81 1 0.000000e+00 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0.000000e+00 1.299285e-06 ; 0.999998 1.000000 md_ensemble - 91 95 1 0.000000e+00 1.325534e-07 ; 0.993559 0.975730 md_ensemble - 91 96 1 0.000000e+00 5.485852e-07 ; 1.000000 0.999992 md_ensemble - 91 99 1 0.000000e+00 3.002258e-07 ; 0.999998 0.999992 md_ensemble + 89 97 1 0.000000e+00 1.299262e-06 ; 0.999998 1.000000 md_ensemble + 91 95 1 0.000000e+00 1.325518e-07 ; 0.993559 0.975730 md_ensemble + 91 96 1 0.000000e+00 5.485800e-07 ; 1.000000 0.999992 md_ensemble + 91 99 1 0.000000e+00 3.002227e-07 ; 0.999998 0.999992 md_ensemble 94 98 1 0.000000e+00 1.500000e-06 ; 1.000000 0.999996 md_ensemble 94 99 1 0.000000e+00 2.700000e-06 ; 1.000000 0.999995 md_ensemble - 95 97 1 0.000000e+00 2.854902e-07 ; 1.000000 0.998836 md_ensemble - 96 97 1 0.000000e+00 1.181529e-06 ; 0.999997 0.999997 md_ensemble + 95 97 1 0.000000e+00 2.854856e-07 ; 1.000000 0.998836 md_ensemble + 96 97 1 0.000000e+00 1.181513e-06 ; 0.999997 0.999997 md_ensemble 97 102 1 0.000000e+00 1.299682e-06 ; 1.000000 0.999996 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1 1 92 1 47 0.0 0.0 0.521887 1 1 92 1 48 0.0 0.0 0.521887 1 1 92 1 49 0.0 0.0 0.496511 1 -1 92 1 50 0.0 0.0 0.451327 1 +1 92 1 50 0.0 0.0 0.451326 1 1 92 1 51 0.0 0.0 0.474502 1 1 92 1 52 0.0 0.0 0.356483 1 1 92 1 53 0.0 0.0 0.56799 1 -1 92 1 54 0.0 0.0 0.534779 1 +1 92 1 54 0.0 0.0 0.534778 1 1 92 1 55 0.0 0.0 0.56799 1 1 92 1 56 0.0 0.0 0.521887 1 1 92 1 57 0.0 0.0 0.521887 1 1 92 1 58 0.0 0.0 0.496511 1 -1 92 1 59 0.0 0.0 0.451327 1 +1 92 1 59 0.0 0.0 0.451326 1 1 92 1 60 0.0 0.0 0.474502 1 1 92 1 61 0.0 0.0 0.356483 1 1 92 1 62 0.0 0.0 0.56799 1 -1 92 1 63 0.0 0.0 0.534779 1 -1 92 1 64 0.0 0.0 0.463631 1 +1 92 1 63 0.0 0.0 0.534778 1 +1 92 1 64 0.0 0.0 0.46363 1 1 92 1 65 0.0 0.0 0.496511 1 -1 92 1 66 0.0 0.0 0.451327 1 +1 92 1 66 0.0 0.0 0.451326 1 1 92 1 67 0.0 0.0 0.474502 1 1 92 1 68 0.0 0.0 0.56799 1 1 92 1 69 0.0 0.0 0.529082 1 1 92 1 70 0.0 0.0 0.529082 1 1 92 1 71 0.0 0.0 0.529082 1 1 92 1 72 0.0 0.0 0.496511 1 -1 92 1 73 0.0 0.0 0.451327 1 +1 92 1 73 0.0 0.0 0.451326 1 1 92 1 74 0.0 0.0 0.474502 1 1 92 1 75 0.0 0.0 0.356483 1 1 92 1 76 0.0 0.0 0.56799 1 -1 92 1 77 0.0 0.0 0.534779 1 +1 92 1 77 0.0 0.0 0.534778 1 1 92 1 78 0.0 0.0 0.496511 1 1 92 1 79 0.0 0.0 0.496511 1 1 92 1 80 0.0 0.0 0.496511 1 1 92 1 81 0.0 0.0 0.496511 1 1 92 1 82 0.0 0.0 0.496511 1 1 92 1 83 0.0 0.0 0.496511 1 -1 92 1 84 0.0 0.0 0.463631 1 +1 92 1 84 0.0 0.0 0.46363 1 1 92 1 85 0.0 0.0 0.468644 1 -1 92 1 86 0.0 0.0 0.451327 1 +1 92 1 86 0.0 0.0 0.451326 1 1 92 1 87 0.0 0.0 0.474502 1 1 92 1 88 0.0 0.0 0.356483 1 1 92 1 89 0.0 0.0 0.56799 1 -1 92 1 90 0.0 0.0 0.534779 1 +1 92 1 90 0.0 0.0 0.534778 1 1 92 1 91 0.0 0.0 0.413048 1 1 92 1 92 0.0 0.0 0.496511 1 1 92 1 93 0.0 0.0 0.443447 1 diff --git a/test/test_outputs/ttrref/case_1/ffnonbonded.itp b/test/test_outputs/ttrref/case_1/ffnonbonded.itp index 1e29e1b8..3843a6f4 100644 --- a/test/test_outputs/ttrref/case_1/ffnonbonded.itp +++ b/test/test_outputs/ttrref/case_1/ffnonbonded.itp @@ -116,34 +116,34 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 N_TTR_1 N_TTR_2 1 3.750866e-03 1.235910e-05 ; 3.857529e-01 2.845878e-01 0.916288 0.000000 0.028619 0.009238 False fibril 3 1 13 N_TTR_1 CA_TTR_2 1 8.690621e-03 1.040647e-04 ; 4.783093e-01 1.814421e-01 0.173158 0.000000 0.028619 0.049502 False fibril 4 1 15 N_TTR_1 CB_TTR_2 1 7.124540e-03 8.559546e-05 ; 4.785739e-01 1.482528e-01 0.101301 0.000000 0.028619 0.009238 False fibril 5 1 16 - N_TTR_1 CG2_TTR_2 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 1 18 + N_TTR_1 CG2_TTR_2 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 1 18 N_TTR_1 N_TTR_3 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 6 1 21 - N_TTR_1 CB_TTR_3 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 1 24 - N_TTR_1 CG1_TTR_3 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 1 25 - N_TTR_1 CG2_TTR_3 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 1 26 - N_TTR_1 CD_TTR_3 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 1 27 + N_TTR_1 CB_TTR_3 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 1 24 + N_TTR_1 CG1_TTR_3 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 1 25 + N_TTR_1 CG2_TTR_3 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 1 26 + N_TTR_1 CD_TTR_3 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 1 27 N_TTR_1 N_TTR_4 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 7 1 30 - N_TTR_1 CB_TTR_4 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 1 33 + N_TTR_1 CB_TTR_4 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 1 33 N_TTR_1 N_TTR_5 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 7 1 36 - N_TTR_1 CB_TTR_5 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 1 39 + N_TTR_1 CB_TTR_5 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 1 39 N_TTR_1 N_TTR_6 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 7 1 42 - N_TTR_1 CB_TTR_6 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 1 45 - N_TTR_1 CG_TTR_6 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 1 46 - N_TTR_1 CD1_TTR_6 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 1 47 - N_TTR_1 CD2_TTR_6 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 1 48 + N_TTR_1 CB_TTR_6 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 1 45 + N_TTR_1 CG_TTR_6 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 1 46 + N_TTR_1 CD1_TTR_6 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 1 47 + N_TTR_1 CD2_TTR_6 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 1 48 N_TTR_1 N_TTR_7 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 7 1 51 - N_TTR_1 CB_TTR_7 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 1 54 - N_TTR_1 CG_TTR_7 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 1 55 - N_TTR_1 CD1_TTR_7 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 1 56 - N_TTR_1 CD2_TTR_7 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 1 57 + N_TTR_1 CB_TTR_7 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 1 54 + N_TTR_1 CG_TTR_7 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 1 55 + N_TTR_1 CD1_TTR_7 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 1 56 + N_TTR_1 CD2_TTR_7 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 1 57 N_TTR_1 N_TTR_8 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 7 1 60 - N_TTR_1 CB_TTR_8 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 1 63 + N_TTR_1 CB_TTR_8 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 1 63 N_TTR_1 N_TTR_9 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 7 1 67 - N_TTR_1 CB_TTR_9 1 0.000000e+00 3.232756e-06 ; 2.880058e-06 -3.232756e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 1 69 - N_TTR_1 CG_TTR_9 1 0.000000e+00 3.232756e-06 ; 2.880058e-06 -3.232756e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 1 70 - N_TTR_1 CD_TTR_9 1 0.000000e+00 3.232756e-06 ; 2.880058e-06 -3.232756e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 1 71 + N_TTR_1 CB_TTR_9 1 0.000000e+00 3.232715e-06 ; 2.880021e-06 -3.232715e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 1 69 + N_TTR_1 CG_TTR_9 1 0.000000e+00 3.232715e-06 ; 2.880021e-06 -3.232715e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 1 70 + N_TTR_1 CD_TTR_9 1 0.000000e+00 3.232715e-06 ; 2.880021e-06 -3.232715e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 1 71 N_TTR_1 N_TTR_10 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 7 1 74 - N_TTR_1 CB_TTR_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 1 77 + N_TTR_1 CB_TTR_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 1 77 N_TTR_1 CE1_TTR_10 1 3.102759e-03 1.660049e-05 ; 4.182110e-01 1.449824e-01 0.096088 0.000000 0.028619 0.080680 False fibril 7 1 81 N_TTR_1 CE2_TTR_10 1 3.102759e-03 1.660049e-05 ; 4.182110e-01 1.449824e-01 0.096088 0.000000 0.028619 0.080680 False fibril 7 1 82 N_TTR_1 N_TTR_11 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 7 1 87 @@ -170,18 +170,18 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 CA_TTR_1 OG1_TTR_2 1 8.413285e-03 7.003314e-05 ; 4.501836e-01 2.526781e-01 0.547241 0.000000 0.028619 0.049502 False fibril 5 2 17 CA_TTR_1 C_TTR_2 1 1.035883e-02 1.651231e-04 ; 5.016677e-01 1.624627e-01 0.127438 0.000000 0.028619 0.049502 False fibril 4 2 19 CA_TTR_1 O_TTR_2 1 9.034945e-03 7.184498e-05 ; 4.467643e-01 2.840499e-01 0.908361 0.000000 0.028619 0.049502 False fibril 5 2 20 - CA_TTR_1 CB_TTR_3 1 0.000000e+00 8.502031e-05 ; 4.079640e-01 -8.502031e-05 0.099090 0.396006 0.001369 0.003776 True native_MD 7 2 24 + CA_TTR_1 CB_TTR_3 1 0.000000e+00 8.502094e-05 ; 4.079643e-01 -8.502094e-05 0.099090 0.396006 0.001369 0.003776 True native_MD 7 2 24 CA_TTR_1 CG1_TTR_3 1 3.579602e-03 4.231792e-05 ; 4.772892e-01 7.569814e-02 0.109682 0.289926 0.001369 0.004833 True native_MD 7 2 25 CA_TTR_1 CG2_TTR_3 1 4.063321e-03 4.432096e-05 ; 4.709282e-01 9.313075e-02 0.033107 0.106599 0.001369 0.014251 True native_MD 7 2 26 CA_TTR_1 CD_TTR_3 1 4.719106e-03 4.690445e-05 ; 4.636878e-01 1.186986e-01 0.106349 0.093624 0.001369 0.014251 True native_MD 7 2 27 CA_TTR_1 C_TTR_3 1 3.036633e-03 2.950906e-05 ; 4.619488e-01 7.812127e-02 0.037998 0.140626 0.001369 0.007651 True native_MD 7 2 28 CA_TTR_1 O_TTR_3 1 1.094279e-03 3.587251e-06 ; 3.854242e-01 8.345155e-02 0.047972 0.135487 0.001369 0.007651 True native_MD 7 2 29 - CA_TTR_1 N_TTR_4 1 0.000000e+00 8.411763e-06 ; 3.364358e-01 -8.411763e-06 0.007000 0.117464 0.001369 0.007651 True native_MD 7 2 30 - CA_TTR_1 CA_TTR_4 1 0.000000e+00 7.471317e-05 ; 4.035941e-01 -7.471317e-05 0.034565 0.174254 0.001369 0.003776 True native_MD 7 2 32 + CA_TTR_1 N_TTR_4 1 0.000000e+00 8.411750e-06 ; 3.364358e-01 -8.411750e-06 0.007000 0.117464 0.001369 0.007651 True native_MD 7 2 30 + CA_TTR_1 CA_TTR_4 1 0.000000e+00 7.471372e-05 ; 4.035943e-01 -7.471372e-05 0.034565 0.174254 0.001369 0.003776 True native_MD 7 2 32 CA_TTR_1 CB_TTR_4 1 2.127246e-03 1.336362e-05 ; 4.295539e-01 8.465479e-02 0.026270 0.130011 0.001369 0.014251 True native_MD 7 2 33 CA_TTR_1 C_TTR_4 1 2.060727e-03 1.423416e-05 ; 4.364005e-01 7.458457e-02 0.005471 0.024227 0.001369 0.007651 True native_MD 7 2 34 CA_TTR_1 O_TTR_4 1 3.799644e-04 4.378410e-07 ; 3.237891e-01 8.243458e-02 0.005594 0.016634 0.001369 0.007651 True native_MD 7 2 35 - CA_TTR_1 N_TTR_5 1 0.000000e+00 7.708386e-06 ; 3.339965e-01 -7.708386e-06 0.002291 0.019901 0.001369 0.007651 True native_MD 7 2 36 + CA_TTR_1 N_TTR_5 1 0.000000e+00 7.708374e-06 ; 3.339965e-01 -7.708374e-06 0.002291 0.019901 0.001369 0.007651 True native_MD 7 2 36 CA_TTR_1 CA_TTR_5 1 4.993512e-03 8.679648e-05 ; 5.089589e-01 7.182076e-02 0.018306 0.046026 0.001369 0.003776 True native_MD 7 2 38 CA_TTR_1 CB_TTR_5 1 2.856959e-03 1.953592e-05 ; 4.356673e-01 1.044514e-01 0.023155 0.041987 0.001369 0.014251 True native_MD 7 2 39 CA_TTR_1 C_TTR_5 1 2.657291e-03 1.986267e-05 ; 4.421807e-01 8.887524e-02 0.003567 0.002215 0.001369 0.007651 True native_MD 7 2 40 @@ -191,7 +191,7 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 CA_TTR_1 CG_TTR_6 1 2.885989e-03 2.811727e-05 ; 4.621466e-01 7.405530e-02 0.008574 0.019247 0.001369 0.003776 True native_MD 7 2 46 CA_TTR_1 CD1_TTR_6 1 2.854518e-03 2.179674e-05 ; 4.437549e-01 9.345746e-02 0.005958 0.018869 0.001369 0.014251 True native_MD 7 2 47 CA_TTR_1 CD2_TTR_6 1 3.083346e-03 2.304232e-05 ; 4.421646e-01 1.031474e-01 0.007356 0.012517 0.001369 0.014251 True native_MD 7 2 48 - CA_TTR_1 CA_TTR_7 1 0.000000e+00 6.580573e-05 ; 3.993469e-01 -6.580573e-05 0.001390 0.005204 0.001369 0.003776 True native_MD 7 2 53 + CA_TTR_1 CA_TTR_7 1 0.000000e+00 6.580622e-05 ; 3.993471e-01 -6.580622e-05 0.001390 0.005204 0.001369 0.003776 True native_MD 7 2 53 CA_TTR_1 CG_TTR_7 1 5.875253e-03 1.107818e-04 ; 5.159096e-01 7.789771e-02 0.006749 0.012468 0.001369 0.003776 True native_MD 7 2 55 CA_TTR_1 CD1_TTR_7 1 3.444356e-03 2.906047e-05 ; 4.511965e-01 1.020595e-01 0.006961 0.011312 0.001369 0.014251 True native_MD 7 2 56 CA_TTR_1 CD2_TTR_7 1 3.967063e-03 3.934794e-05 ; 4.635275e-01 9.998991e-02 0.006268 0.008732 0.001369 0.014251 True native_MD 7 2 57 @@ -216,58 +216,58 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 CB_TTR_1 CD2_TTR_1 1 2.920903e-03 7.355121e-06 ; 3.688463e-01 2.899909e-01 0.999853 0.000000 0.028619 0.066792 False fibril 2 3 6 CB_TTR_1 CE1_TTR_1 1 7.351374e-03 4.658886e-05 ; 4.301820e-01 2.899980e-01 0.999967 0.000000 0.028619 0.066792 False fibril 3 3 7 CB_TTR_1 CE2_TTR_1 1 7.351374e-03 4.658886e-05 ; 4.301820e-01 2.899980e-01 0.999967 0.000000 0.028619 0.066792 False fibril 3 3 8 - CB_TTR_1 OH_TTR_1 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 3 10 + CB_TTR_1 OH_TTR_1 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 3 10 CB_TTR_1 C_TTR_1 1 8.980683e-03 6.975172e-05 ; 4.450146e-01 2.890705e-01 0.985098 0.000000 0.028619 0.009238 False fibril 2 3 11 CB_TTR_1 O_TTR_1 1 4.095139e-03 1.455667e-05 ; 3.906600e-01 2.880150e-01 0.968445 0.000000 0.028619 0.046463 False fibril 3 3 12 CB_TTR_1 N_TTR_2 1 7.314079e-03 4.982565e-05 ; 4.353938e-01 2.684147e-01 0.705626 0.000000 0.028619 0.009238 False fibril 3 3 13 CB_TTR_1 CA_TTR_2 1 2.238401e-02 4.727475e-04 ; 5.257532e-01 2.649637e-01 0.667367 0.000000 0.028619 0.042764 False fibril 4 3 15 CB_TTR_1 CB_TTR_2 1 1.435134e-02 3.591269e-04 ; 5.408281e-01 1.433762e-01 0.093627 0.000000 0.028619 0.042764 False fibril 5 3 16 - CB_TTR_1 OG1_TTR_2 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 3 17 - CB_TTR_1 C_TTR_2 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 3 19 + CB_TTR_1 OG1_TTR_2 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 3 17 + CB_TTR_1 C_TTR_2 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 3 19 CB_TTR_1 O_TTR_2 1 2.053531e-03 1.280531e-05 ; 4.290239e-01 8.232896e-02 0.034925 0.000000 0.028619 0.046463 False fibril 6 3 20 - CB_TTR_1 N_TTR_3 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 3 21 + CB_TTR_1 N_TTR_3 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 3 21 CB_TTR_1 CA_TTR_3 1 3.170635e-03 3.578488e-05 ; 4.736151e-01 7.023165e-02 0.137632 0.480046 0.001369 0.004833 True native_MD 7 3 23 - CB_TTR_1 CB_TTR_3 1 0.000000e+00 4.106116e-05 ; 3.839555e-01 -4.106116e-05 0.076452 0.367129 0.001369 0.004833 True native_MD 7 3 24 + CB_TTR_1 CB_TTR_3 1 0.000000e+00 4.106099e-05 ; 3.839554e-01 -4.106099e-05 0.076452 0.367129 0.001369 0.004833 True native_MD 7 3 24 CB_TTR_1 CG1_TTR_3 1 9.828871e-04 3.286202e-06 ; 3.866919e-01 7.349420e-02 0.073120 0.280332 0.001369 0.006268 True native_MD 7 3 25 CB_TTR_1 CG2_TTR_3 1 1.215233e-03 3.993717e-06 ; 3.855845e-01 9.244471e-02 0.025561 0.117176 0.001369 0.019596 True native_MD 7 3 26 CB_TTR_1 CD_TTR_3 1 1.254774e-03 3.547955e-06 ; 3.760412e-01 1.109412e-01 0.087876 0.157657 0.001369 0.019596 True native_MD 7 3 27 - CB_TTR_1 C_TTR_3 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 3 28 + CB_TTR_1 C_TTR_3 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 3 28 CB_TTR_1 O_TTR_3 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000 0.000000 0.028619 0.046463 False fibril 7 3 29 - CB_TTR_1 N_TTR_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 3 30 - CB_TTR_1 CA_TTR_4 1 0.000000e+00 3.688513e-05 ; 3.805391e-01 -3.688513e-05 0.039037 0.198449 0.001369 0.004833 True native_MD 7 3 32 + CB_TTR_1 N_TTR_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 3 30 + CB_TTR_1 CA_TTR_4 1 0.000000e+00 3.688497e-05 ; 3.805390e-01 -3.688497e-05 0.039037 0.198449 0.001369 0.004833 True native_MD 7 3 32 CB_TTR_1 CB_TTR_4 1 7.965947e-04 1.770521e-06 ; 3.612523e-01 8.960117e-02 0.027170 0.143875 0.001369 0.019596 True native_MD 7 3 33 - CB_TTR_1 C_TTR_4 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 3 34 + CB_TTR_1 C_TTR_4 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 3 34 CB_TTR_1 O_TTR_4 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000 0.000000 0.028619 0.046463 False fibril 7 3 35 - CB_TTR_1 N_TTR_5 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 3 36 + CB_TTR_1 N_TTR_5 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 3 36 CB_TTR_1 CA_TTR_5 1 1.200967e-03 4.232200e-06 ; 3.900969e-01 8.519925e-02 0.023636 0.038588 0.001369 0.004833 True native_MD 7 3 38 CB_TTR_1 CB_TTR_5 1 1.002948e-03 2.126308e-06 ; 3.584192e-01 1.182688e-01 0.026202 0.032416 0.001369 0.019596 True native_MD 7 3 39 - CB_TTR_1 C_TTR_5 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 3 40 + CB_TTR_1 C_TTR_5 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 3 40 CB_TTR_1 O_TTR_5 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000 0.000000 0.028619 0.046463 False fibril 7 3 41 - CB_TTR_1 N_TTR_6 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 3 42 + CB_TTR_1 N_TTR_6 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 3 42 CB_TTR_1 CA_TTR_6 1 1.361144e-03 5.089360e-06 ; 3.939670e-01 9.100916e-02 0.010789 0.013119 0.001369 0.004833 True native_MD 7 3 44 CB_TTR_1 CB_TTR_6 1 1.453672e-03 6.535128e-06 ; 4.062543e-01 8.083861e-02 0.007071 0.018679 0.001369 0.006268 True native_MD 7 3 45 CB_TTR_1 CG_TTR_6 1 7.636636e-04 2.019844e-06 ; 3.718798e-01 7.218157e-02 0.011080 0.035006 0.001369 0.004833 True native_MD 7 3 46 CB_TTR_1 CD1_TTR_6 1 8.509317e-04 1.877703e-06 ; 3.608184e-01 9.640563e-02 0.007596 0.028483 0.001369 0.019596 True native_MD 7 3 47 CB_TTR_1 CD2_TTR_6 1 7.698637e-04 1.391589e-06 ; 3.490194e-01 1.064772e-01 0.010087 0.022695 0.001369 0.019596 True native_MD 7 3 48 - CB_TTR_1 C_TTR_6 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 3 49 + CB_TTR_1 C_TTR_6 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 3 49 CB_TTR_1 O_TTR_6 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000 0.000000 0.028619 0.046463 False fibril 7 3 50 - CB_TTR_1 N_TTR_7 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 3 51 + CB_TTR_1 N_TTR_7 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 3 51 CB_TTR_1 CB_TTR_7 1 2.638739e-03 1.750527e-05 ; 4.334730e-01 9.944067e-02 0.006095 0.005177 0.001369 0.006268 True native_MD 7 3 54 CB_TTR_1 CG_TTR_7 1 1.549725e-03 6.049510e-06 ; 3.968054e-01 9.924973e-02 0.016844 0.013485 0.001369 0.004833 True native_MD 7 3 55 CB_TTR_1 CD1_TTR_7 1 9.215752e-04 1.841901e-06 ; 3.549136e-01 1.152750e-01 0.013608 0.012258 0.001369 0.019596 True native_MD 7 3 56 CB_TTR_1 CD2_TTR_7 1 9.677176e-04 1.980994e-06 ; 3.563328e-01 1.181828e-01 0.015770 0.009906 0.001369 0.019596 True native_MD 7 3 57 - CB_TTR_1 C_TTR_7 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 3 58 + CB_TTR_1 C_TTR_7 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 3 58 CB_TTR_1 O_TTR_7 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000 0.000000 0.028619 0.046463 False fibril 7 3 59 - CB_TTR_1 N_TTR_8 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 3 60 + CB_TTR_1 N_TTR_8 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 3 60 CB_TTR_1 CA_TTR_8 1 1.747559e-03 1.023250e-05 ; 4.245462e-01 7.461431e-02 0.001759 0.004912 0.001369 0.004833 True native_MD 7 3 62 CB_TTR_1 CB_TTR_8 1 8.140101e-04 2.250069e-06 ; 3.746229e-01 7.362135e-02 0.002099 0.007996 0.001369 0.006268 True native_MD 7 3 63 - CB_TTR_1 OG_TTR_8 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 3 64 - CB_TTR_1 C_TTR_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 3 65 + CB_TTR_1 OG_TTR_8 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 3 64 + CB_TTR_1 C_TTR_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 3 65 CB_TTR_1 O_TTR_8 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000 0.000000 0.028619 0.046463 False fibril 7 3 66 - CB_TTR_1 N_TTR_9 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 3 67 - CB_TTR_1 C_TTR_9 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 3 72 + CB_TTR_1 N_TTR_9 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 3 67 + CB_TTR_1 C_TTR_9 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 3 72 CB_TTR_1 O_TTR_9 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000 0.000000 0.028619 0.046463 False fibril 7 3 73 - CB_TTR_1 N_TTR_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 3 74 + CB_TTR_1 N_TTR_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 3 74 CB_TTR_1 CB_TTR_10 1 1.788371e-02 2.892096e-04 ; 5.028740e-01 2.764664e-01 0.803635 0.000000 0.028619 0.046456 False fibril 7 3 77 CB_TTR_1 CG_TTR_10 1 7.958307e-03 5.459884e-05 ; 4.359069e-01 2.900000e-01 1.000000 0.000000 0.028619 0.066792 False fibril 7 3 78 CB_TTR_1 CD1_TTR_10 1 1.793295e-03 2.772333e-06 ; 3.400418e-01 2.900000e-01 1.000000 0.000000 0.028619 0.066792 False fibril 7 3 79 @@ -276,12 +276,12 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 CB_TTR_1 CE2_TTR_10 1 1.006933e-03 8.740644e-07 ; 3.088568e-01 2.900000e-01 1.000000 0.000000 0.028619 0.066792 False fibril 7 3 82 CB_TTR_1 CZ_TTR_10 1 2.609817e-03 5.871696e-06 ; 3.619864e-01 2.899990e-01 0.999983 0.000000 0.028619 0.066792 False fibril 7 3 83 CB_TTR_1 OH_TTR_10 1 1.383713e-03 1.668910e-06 ; 3.262605e-01 2.868134e-01 0.949828 0.000000 0.028619 0.009238 False fibril 7 3 84 - CB_TTR_1 C_TTR_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 3 85 + CB_TTR_1 C_TTR_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 3 85 CB_TTR_1 O_TTR_10 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000 0.000000 0.028619 0.046463 False fibril 7 3 86 - CB_TTR_1 N_TTR_11 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 3 87 + CB_TTR_1 N_TTR_11 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 3 87 CB_TTR_1 CA_TTR_11 1 2.141206e-02 5.335564e-04 ; 5.404477e-01 2.148209e-01 0.296895 0.000000 0.028619 0.042764 False fibril 7 3 89 CB_TTR_1 CB_TTR_11 1 7.744891e-04 1.959245e-06 ; 3.691296e-01 7.653884e-02 0.001908 0.002481 0.001369 0.006268 True native_MD 7 3 90 - CB_TTR_1 OG_TTR_11 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 3 91 + CB_TTR_1 OG_TTR_11 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 3 91 CB_TTR_1 C_TTR_11 1 7.986063e-03 5.498035e-05 ; 4.361600e-01 2.900000e-01 1.000000 0.000000 0.028619 0.009238 False fibril 7 3 92 CB_TTR_1 O1_TTR_11 1 4.424726e-03 1.687852e-05 ; 3.952829e-01 2.899870e-01 0.999790 0.000000 0.028619 0.009238 False fibril 7 3 93 CB_TTR_1 O2_TTR_11 1 4.424726e-03 1.687852e-05 ; 3.952829e-01 2.899870e-01 0.999790 0.000000 0.028619 0.009238 False fibril 7 3 94 @@ -679,64 +679,64 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 OH_TTR_1 OH_TTR_1 1 8.656179e-04 9.175460e-07 ; 3.193132e-01 2.041572e-01 0.249916 0.000000 0.028619 0.064182 False fibril 0 10 10 OH_TTR_1 H_TTR_2 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 10 14 OH_TTR_1 CA_TTR_2 1 3.918036e-03 3.292170e-05 ; 4.508883e-01 1.165721e-01 0.014533 0.000759 0.001369 0.007651 True native_MD 7 10 15 - OH_TTR_1 CB_TTR_2 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 10 16 + OH_TTR_1 CB_TTR_2 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 10 16 OH_TTR_1 OG1_TTR_2 1 5.128288e-04 5.078158e-07 ; 3.157105e-01 1.294728e-01 0.027959 0.004344 0.001369 0.017292 True native_MD 7 10 17 - OH_TTR_1 CG2_TTR_2 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 10 18 + OH_TTR_1 CG2_TTR_2 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 10 18 OH_TTR_1 C_TTR_2 1 1.501575e-03 3.967981e-06 ; 3.718237e-01 1.420576e-01 0.052932 0.002351 0.001369 0.017292 True native_MD 7 10 19 OH_TTR_1 O_TTR_2 1 5.937097e-04 5.690997e-07 ; 3.140044e-01 1.548460e-01 0.101252 0.012439 0.001369 0.017292 True native_MD 7 10 20 OH_TTR_1 N_TTR_3 1 8.994528e-04 1.552666e-06 ; 3.463511e-01 1.302623e-01 0.029101 0.000240 0.001369 0.017292 True native_MD 7 10 21 OH_TTR_1 H_TTR_3 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 10 22 OH_TTR_1 CA_TTR_3 1 1.031312e-03 1.741354e-06 ; 3.450771e-01 1.526978e-01 0.157594 0.013279 0.001369 0.007651 True native_MD 7 10 23 - OH_TTR_1 CB_TTR_3 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 10 24 - OH_TTR_1 CG1_TTR_3 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 10 25 - OH_TTR_1 CG2_TTR_3 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 10 26 - OH_TTR_1 CD_TTR_3 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 10 27 + OH_TTR_1 CB_TTR_3 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 10 24 + OH_TTR_1 CG1_TTR_3 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 10 25 + OH_TTR_1 CG2_TTR_3 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 10 26 + OH_TTR_1 CD_TTR_3 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 10 27 OH_TTR_1 C_TTR_3 1 8.487279e-04 1.364417e-06 ; 3.422655e-01 1.319866e-01 0.031760 0.002803 0.001369 0.017292 True native_MD 7 10 28 OH_TTR_1 O_TTR_3 1 1.584108e-04 5.926545e-08 ; 2.684331e-01 1.058542e-01 0.008439 0.005316 0.001369 0.017292 True native_MD 7 10 29 OH_TTR_1 N_TTR_4 1 3.500270e-04 2.262217e-07 ; 2.940393e-01 1.353970e-01 0.037758 0.001767 0.001369 0.017292 True native_MD 7 10 30 OH_TTR_1 H_TTR_4 1 1.745518e-05 6.189651e-10 ; 1.812551e-01 1.230616e-01 0.020197 0.000473 0.001369 0.079189 True native_MD 7 10 31 OH_TTR_1 CA_TTR_4 1 1.408675e-03 3.731325e-06 ; 3.719707e-01 1.329530e-01 0.046572 0.010682 0.001369 0.007651 True native_MD 7 10 32 - OH_TTR_1 CB_TTR_4 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 10 33 + OH_TTR_1 CB_TTR_4 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 10 33 OH_TTR_1 C_TTR_4 1 4.021317e-04 4.228205e-07 ; 3.188829e-01 9.561379e-02 0.005020 0.002006 0.001369 0.017292 True native_MD 7 10 34 OH_TTR_1 O_TTR_4 1 9.911676e-05 2.675711e-08 ; 2.542233e-01 9.178994e-02 0.004135 0.001333 0.001369 0.017292 True native_MD 7 10 35 OH_TTR_1 N_TTR_5 1 1.975084e-04 1.114507e-07 ; 2.874636e-01 8.750406e-02 0.003327 0.002232 0.001369 0.017292 True native_MD 7 10 36 OH_TTR_1 H_TTR_5 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 10 37 OH_TTR_1 CA_TTR_5 1 1.351382e-03 3.740046e-06 ; 3.746995e-01 1.220729e-01 0.019210 0.007448 0.001369 0.007651 True native_MD 7 10 38 - OH_TTR_1 CB_TTR_5 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 10 39 + OH_TTR_1 CB_TTR_5 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 10 39 OH_TTR_1 C_TTR_5 1 4.806704e-04 4.945607e-07 ; 3.177328e-01 1.167926e-01 0.014696 0.002732 0.001369 0.017292 True native_MD 7 10 40 OH_TTR_1 O_TTR_5 1 7.679416e-05 1.291538e-08 ; 2.349434e-01 1.141535e-01 0.012855 0.003671 0.001369 0.017292 True native_MD 7 10 41 OH_TTR_1 N_TTR_6 1 2.766609e-04 2.007510e-07 ; 2.997678e-01 9.531862e-02 0.004945 0.001318 0.001369 0.017292 True native_MD 7 10 42 OH_TTR_1 H_TTR_6 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 10 43 OH_TTR_1 CA_TTR_6 1 1.003591e-03 1.954064e-06 ; 3.533705e-01 1.288591e-01 0.027102 0.006535 0.001369 0.007651 True native_MD 7 10 44 - OH_TTR_1 CB_TTR_6 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 10 45 - OH_TTR_1 CG_TTR_6 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 10 46 - OH_TTR_1 CD1_TTR_6 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 10 47 - OH_TTR_1 CD2_TTR_6 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 10 48 + OH_TTR_1 CB_TTR_6 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 10 45 + OH_TTR_1 CG_TTR_6 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 10 46 + OH_TTR_1 CD1_TTR_6 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 10 47 + OH_TTR_1 CD2_TTR_6 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 10 48 OH_TTR_1 C_TTR_6 1 5.399059e-04 5.829726e-07 ; 3.202986e-01 1.250052e-01 0.022290 0.003883 0.001369 0.017292 True native_MD 7 10 49 OH_TTR_1 O_TTR_6 1 8.569935e-05 1.492821e-08 ; 2.363225e-01 1.229950e-01 0.020129 0.004324 0.001369 0.017292 True native_MD 7 10 50 OH_TTR_1 N_TTR_7 1 3.376140e-04 2.427908e-07 ; 2.993197e-01 1.173677e-01 0.015131 0.001502 0.001369 0.017292 True native_MD 7 10 51 OH_TTR_1 H_TTR_7 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 10 52 OH_TTR_1 CA_TTR_7 1 6.453090e-04 8.058857e-07 ; 3.281590e-01 1.291820e-01 0.027549 0.006360 0.001369 0.007651 True native_MD 7 10 53 - OH_TTR_1 CB_TTR_7 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 10 54 - OH_TTR_1 CG_TTR_7 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 10 55 - OH_TTR_1 CD1_TTR_7 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 10 56 - OH_TTR_1 CD2_TTR_7 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 10 57 + OH_TTR_1 CB_TTR_7 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 10 54 + OH_TTR_1 CG_TTR_7 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 10 55 + OH_TTR_1 CD1_TTR_7 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 10 56 + OH_TTR_1 CD2_TTR_7 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 10 57 OH_TTR_1 C_TTR_7 1 4.582886e-04 4.577570e-07 ; 3.161666e-01 1.147052e-01 0.013220 0.003006 0.001369 0.017292 True native_MD 7 10 58 OH_TTR_1 O_TTR_7 1 1.532073e-04 6.960321e-08 ; 2.772628e-01 8.430814e-02 0.002829 0.003832 0.001369 0.017292 True native_MD 7 10 59 OH_TTR_1 N_TTR_8 1 1.955627e-04 8.394029e-08 ; 2.746507e-01 1.139047e-01 0.012694 0.001886 0.001369 0.017292 True native_MD 7 10 60 OH_TTR_1 H_TTR_8 1 1.047339e-05 2.664909e-10 ; 1.715007e-01 1.029040e-01 0.007266 0.000938 0.001369 0.079189 True native_MD 7 10 61 OH_TTR_1 CA_TTR_8 1 7.920148e-04 1.342638e-06 ; 3.453061e-01 1.168013e-01 0.014703 0.005942 0.001369 0.007651 True native_MD 7 10 62 - OH_TTR_1 CB_TTR_8 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 10 63 + OH_TTR_1 CB_TTR_8 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 10 63 OH_TTR_1 OG_TTR_8 1 1.173016e-04 3.274179e-08 ; 2.556425e-01 1.050620e-01 0.008106 0.004835 0.001369 0.017292 True native_MD 7 10 64 OH_TTR_1 C_TTR_8 1 3.224615e-04 3.309046e-07 ; 3.175929e-01 7.855847e-02 0.002114 0.001988 0.001369 0.017292 True native_MD 7 10 65 OH_TTR_1 O_TTR_8 1 1.337946e-04 5.670633e-08 ; 2.740725e-01 7.891975e-02 0.002153 0.002756 0.001369 0.017292 True native_MD 7 10 66 OH_TTR_1 CA_TTR_9 1 3.693808e-04 4.408915e-07 ; 3.256939e-01 7.736720e-02 0.001990 0.006859 0.001369 0.007651 True native_MD 7 10 68 - OH_TTR_1 CB_TTR_9 1 0.000000e+00 2.447822e-06 ; 2.180762e-06 -2.447822e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 10 69 - OH_TTR_1 CG_TTR_9 1 0.000000e+00 2.447822e-06 ; 2.180762e-06 -2.447822e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 10 70 - OH_TTR_1 CD_TTR_9 1 0.000000e+00 2.447822e-06 ; 2.180762e-06 -2.447822e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 10 71 + OH_TTR_1 CB_TTR_9 1 0.000000e+00 2.447787e-06 ; 2.180730e-06 -2.447787e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 10 69 + OH_TTR_1 CG_TTR_9 1 0.000000e+00 2.447787e-06 ; 2.180730e-06 -2.447787e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 10 70 + OH_TTR_1 CD_TTR_9 1 0.000000e+00 2.447787e-06 ; 2.180730e-06 -2.447787e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 10 71 OH_TTR_1 H_TTR_10 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 10 75 OH_TTR_1 CA_TTR_10 1 6.543809e-04 1.216961e-06 ; 3.506773e-01 8.796795e-02 0.003406 0.005904 0.001369 0.007651 True native_MD 7 10 76 - OH_TTR_1 CB_TTR_10 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 10 77 + OH_TTR_1 CB_TTR_10 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 10 77 OH_TTR_1 CG_TTR_10 1 3.706521e-04 3.930387e-07 ; 3.193337e-01 8.738515e-02 0.003307 0.002228 0.001369 0.035467 True native_MD 7 10 78 OH_TTR_1 CD1_TTR_10 1 2.676397e-04 2.063063e-07 ; 3.028031e-01 8.680177e-02 0.003211 0.003372 0.001369 0.035467 True native_MD 7 10 79 OH_TTR_1 CD2_TTR_10 1 2.676397e-04 2.063063e-07 ; 3.028031e-01 8.680177e-02 0.003211 0.003372 0.001369 0.035467 True native_MD 7 10 80 @@ -757,34 +757,34 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 C_TTR_1 CA_TTR_2 1 4.441225e-03 1.700386e-05 ; 3.955252e-01 2.900000e-01 1.000000 0.000000 0.028619 0.049502 False fibril 2 11 15 C_TTR_1 CB_TTR_2 1 3.694567e-03 1.176709e-05 ; 3.835756e-01 2.900000e-01 1.000000 0.000000 0.028619 0.009238 False fibril 3 11 16 C_TTR_1 OG1_TTR_2 1 2.689654e-03 6.245908e-06 ; 3.639009e-01 2.895592e-01 0.992905 0.000000 0.028619 0.064181 False fibril 4 11 17 - C_TTR_1 CG2_TTR_2 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 11 18 + C_TTR_1 CG2_TTR_2 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 11 18 C_TTR_1 C_TTR_2 1 5.328653e-03 2.447805e-05 ; 4.077180e-01 2.900000e-01 1.000000 0.000000 0.028619 0.064180 False fibril 3 11 19 C_TTR_1 O_TTR_2 1 1.780058e-03 2.731558e-06 ; 3.396222e-01 2.900000e-01 1.000000 0.000000 0.028619 0.064181 False fibril 4 11 20 - C_TTR_1 CB_TTR_3 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 11 24 - C_TTR_1 CG1_TTR_3 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 11 25 - C_TTR_1 CG2_TTR_3 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 11 26 - C_TTR_1 CD_TTR_3 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 11 27 + C_TTR_1 CB_TTR_3 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 11 24 + C_TTR_1 CG1_TTR_3 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 11 25 + C_TTR_1 CG2_TTR_3 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 11 26 + C_TTR_1 CD_TTR_3 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 11 27 C_TTR_1 O_TTR_3 1 4.267792e-04 4.426106e-07 ; 3.181533e-01 1.028785e-01 0.050518 0.120379 0.001369 0.017292 True native_MD 7 11 29 C_TTR_1 N_TTR_4 1 8.771134e-04 2.447524e-06 ; 3.752136e-01 7.858226e-02 0.015955 0.130367 0.001369 0.017291 True native_MD 7 11 30 C_TTR_1 CA_TTR_4 1 2.240387e-03 1.740057e-05 ; 4.450137e-01 7.211453e-02 0.028320 0.142137 0.001369 0.007651 True native_MD 7 11 32 - C_TTR_1 CB_TTR_4 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 11 33 + C_TTR_1 CB_TTR_4 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 11 33 C_TTR_1 C_TTR_4 1 1.610535e-03 7.221764e-06 ; 4.060805e-01 8.979189e-02 0.003772 0.017456 0.001369 0.017291 True native_MD 7 11 34 C_TTR_1 O_TTR_4 1 2.947669e-04 2.244276e-07 ; 3.021804e-01 9.678793e-02 0.005328 0.012084 0.001369 0.017292 True native_MD 7 11 35 - C_TTR_1 CA_TTR_5 1 0.000000e+00 1.356710e-05 ; 3.501082e-01 -1.356710e-05 0.006211 0.045687 0.001369 0.007651 True native_MD 7 11 38 - C_TTR_1 CB_TTR_5 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 11 39 - C_TTR_1 CB_TTR_6 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 11 45 - C_TTR_1 CG_TTR_6 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 11 46 - C_TTR_1 CD1_TTR_6 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 11 47 - C_TTR_1 CD2_TTR_6 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 11 48 - C_TTR_1 CB_TTR_7 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 11 54 - C_TTR_1 CG_TTR_7 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 11 55 - C_TTR_1 CD1_TTR_7 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 11 56 - C_TTR_1 CD2_TTR_7 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 11 57 - C_TTR_1 CB_TTR_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 11 63 - C_TTR_1 CB_TTR_9 1 0.000000e+00 5.570103e-06 ; 4.962397e-06 -5.570103e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 11 69 - C_TTR_1 CG_TTR_9 1 0.000000e+00 5.570103e-06 ; 4.962397e-06 -5.570103e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 11 70 - C_TTR_1 CD_TTR_9 1 0.000000e+00 5.570103e-06 ; 4.962397e-06 -5.570103e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 11 71 - C_TTR_1 CB_TTR_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 11 77 + C_TTR_1 CA_TTR_5 1 0.000000e+00 1.356703e-05 ; 3.501080e-01 -1.356703e-05 0.006211 0.045687 0.001369 0.007651 True native_MD 7 11 38 + C_TTR_1 CB_TTR_5 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 11 39 + C_TTR_1 CB_TTR_6 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 11 45 + C_TTR_1 CG_TTR_6 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 11 46 + C_TTR_1 CD1_TTR_6 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 11 47 + C_TTR_1 CD2_TTR_6 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 11 48 + C_TTR_1 CB_TTR_7 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 11 54 + C_TTR_1 CG_TTR_7 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 11 55 + C_TTR_1 CD1_TTR_7 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 11 56 + C_TTR_1 CD2_TTR_7 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 11 57 + C_TTR_1 CB_TTR_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 11 63 + C_TTR_1 CB_TTR_9 1 0.000000e+00 5.570011e-06 ; 4.962315e-06 -5.570011e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 11 69 + C_TTR_1 CG_TTR_9 1 0.000000e+00 5.570011e-06 ; 4.962315e-06 -5.570011e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 11 70 + C_TTR_1 CD_TTR_9 1 0.000000e+00 5.570011e-06 ; 4.962315e-06 -5.570011e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 11 71 + C_TTR_1 CB_TTR_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 11 77 C_TTR_1 CE1_TTR_10 1 5.352973e-03 2.988957e-05 ; 4.211991e-01 2.396682e-01 0.443518 0.000000 0.028619 0.080679 False fibril 7 11 81 C_TTR_1 CE2_TTR_10 1 5.352973e-03 2.988957e-05 ; 4.211991e-01 2.396682e-01 0.443518 0.000000 0.028619 0.080679 False fibril 7 11 82 C_TTR_1 CZ_TTR_10 1 5.627340e-03 3.723310e-05 ; 4.332824e-01 2.126264e-01 0.286554 0.000000 0.028619 0.080679 False fibril 7 11 83 @@ -816,7 +816,7 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 O_TTR_1 O_TTR_4 1 0.000000e+00 1.536954e-06 ; 2.920004e-01 -1.536954e-06 0.011702 0.036338 0.001369 0.000039 True native_MD 7 12 35 O_TTR_1 N_TTR_5 1 0.000000e+00 1.604140e-06 ; 2.930433e-01 -1.604140e-06 0.002262 0.071688 0.001369 0.017292 True native_MD 7 12 36 O_TTR_1 H_TTR_5 1 3.219749e-06 3.649066e-11 ; 1.498741e-01 7.102354e-02 0.001442 0.026036 0.001369 0.079189 True native_MD 7 12 37 - O_TTR_1 CA_TTR_5 1 0.000000e+00 4.405825e-06 ; 3.187846e-01 -4.405825e-06 0.002085 0.062837 0.001369 0.007651 True native_MD 7 12 38 + O_TTR_1 CA_TTR_5 1 0.000000e+00 4.405860e-06 ; 3.187848e-01 -4.405860e-06 0.002085 0.062837 0.001369 0.007651 True native_MD 7 12 38 O_TTR_1 CB_TTR_5 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 12 39 O_TTR_1 O_TTR_5 1 0.000000e+00 1.500000e-06 ; 1.336348e-06 -1.500000e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 12 41 O_TTR_1 H_TTR_6 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 12 43 @@ -851,40 +851,40 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 N_TTR_2 N_TTR_2 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.017047 0.000000 0.028619 0.009238 False fibril 0 13 13 N_TTR_2 CA_TTR_2 1 7.592470e-03 4.969546e-05 ; 4.325028e-01 2.899943e-01 0.999907 0.000000 0.028619 0.049502 False fibril 1 13 15 N_TTR_2 CB_TTR_2 1 7.026618e-03 4.256324e-05 ; 4.269543e-01 2.900000e-01 1.000000 0.000000 0.028619 0.009238 False fibril 2 13 16 - N_TTR_2 CG2_TTR_2 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 13 18 + N_TTR_2 CG2_TTR_2 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 13 18 N_TTR_2 C_TTR_2 1 3.993447e-03 2.176438e-05 ; 4.195010e-01 1.831849e-01 0.178102 0.000000 0.028619 0.064181 False fibril 2 13 19 N_TTR_2 O_TTR_2 1 1.924290e-03 3.192178e-06 ; 3.440615e-01 2.899972e-01 0.999955 0.000000 0.028619 0.064181 False fibril 3 13 20 N_TTR_2 N_TTR_3 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 3 13 21 - N_TTR_2 CB_TTR_3 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 13 24 - N_TTR_2 CG1_TTR_3 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 13 25 - N_TTR_2 CG2_TTR_3 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 13 26 - N_TTR_2 CD_TTR_3 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 13 27 + N_TTR_2 CB_TTR_3 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 13 24 + N_TTR_2 CG1_TTR_3 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 13 25 + N_TTR_2 CG2_TTR_3 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 13 26 + N_TTR_2 CD_TTR_3 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 13 27 N_TTR_2 N_TTR_4 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 6 13 30 N_TTR_2 CA_TTR_4 1 2.412695e-03 2.073412e-05 ; 4.525819e-01 7.018745e-02 0.007425 0.041093 0.001369 0.007651 True native_MD 7 13 32 - N_TTR_2 CB_TTR_4 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 13 33 + N_TTR_2 CB_TTR_4 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 13 33 N_TTR_2 C_TTR_4 1 1.097443e-03 3.837485e-06 ; 3.895927e-01 7.846161e-02 0.002103 0.000568 0.001369 0.017291 True native_MD 7 13 34 N_TTR_2 O_TTR_4 1 2.460444e-04 1.634895e-07 ; 2.954015e-01 9.257148e-02 0.004302 0.005876 0.001369 0.017292 True native_MD 7 13 35 N_TTR_2 N_TTR_5 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 7 13 36 N_TTR_2 CA_TTR_5 1 3.160663e-03 2.326740e-05 ; 4.410572e-01 1.073368e-01 0.011883 0.009993 0.001369 0.007651 True native_MD 7 13 38 - N_TTR_2 CB_TTR_5 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 13 39 + N_TTR_2 CB_TTR_5 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 13 39 N_TTR_2 N_TTR_6 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 7 13 42 - N_TTR_2 CB_TTR_6 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 13 45 - N_TTR_2 CG_TTR_6 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 13 46 - N_TTR_2 CD1_TTR_6 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 13 47 - N_TTR_2 CD2_TTR_6 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 13 48 + N_TTR_2 CB_TTR_6 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 13 45 + N_TTR_2 CG_TTR_6 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 13 46 + N_TTR_2 CD1_TTR_6 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 13 47 + N_TTR_2 CD2_TTR_6 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 13 48 N_TTR_2 N_TTR_7 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 7 13 51 - N_TTR_2 CB_TTR_7 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 13 54 - N_TTR_2 CG_TTR_7 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 13 55 - N_TTR_2 CD1_TTR_7 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 13 56 - N_TTR_2 CD2_TTR_7 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 13 57 + N_TTR_2 CB_TTR_7 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 13 54 + N_TTR_2 CG_TTR_7 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 13 55 + N_TTR_2 CD1_TTR_7 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 13 56 + N_TTR_2 CD2_TTR_7 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 13 57 N_TTR_2 N_TTR_8 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 7 13 60 - N_TTR_2 CB_TTR_8 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 13 63 + N_TTR_2 CB_TTR_8 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 13 63 N_TTR_2 N_TTR_9 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 7 13 67 - N_TTR_2 CB_TTR_9 1 0.000000e+00 3.232756e-06 ; 2.880058e-06 -3.232756e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 13 69 - N_TTR_2 CG_TTR_9 1 0.000000e+00 3.232756e-06 ; 2.880058e-06 -3.232756e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 13 70 - N_TTR_2 CD_TTR_9 1 0.000000e+00 3.232756e-06 ; 2.880058e-06 -3.232756e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 13 71 + N_TTR_2 CB_TTR_9 1 0.000000e+00 3.232715e-06 ; 2.880021e-06 -3.232715e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 13 69 + N_TTR_2 CG_TTR_9 1 0.000000e+00 3.232715e-06 ; 2.880021e-06 -3.232715e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 13 70 + N_TTR_2 CD_TTR_9 1 0.000000e+00 3.232715e-06 ; 2.880021e-06 -3.232715e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 13 71 N_TTR_2 N_TTR_10 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 7 13 74 - N_TTR_2 CB_TTR_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 13 77 + N_TTR_2 CB_TTR_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 13 77 N_TTR_2 CE1_TTR_10 1 2.986305e-03 1.649314e-05 ; 4.204311e-01 1.351777e-01 0.082014 0.000000 0.028619 0.080680 False fibril 7 13 81 N_TTR_2 CE2_TTR_10 1 2.986305e-03 1.649314e-05 ; 4.204311e-01 1.351777e-01 0.082014 0.000000 0.028619 0.080680 False fibril 7 13 82 N_TTR_2 OH_TTR_10 1 2.258845e-03 4.988013e-06 ; 3.608612e-01 2.557322e-01 0.574915 0.000000 0.028619 0.064181 False fibril 7 13 84 @@ -933,12 +933,12 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 CA_TTR_2 CB_TTR_5 1 2.343282e-03 1.343431e-05 ; 4.230566e-01 1.021818e-01 0.076043 0.154711 0.001369 0.014251 True native_MD 7 15 39 CA_TTR_2 C_TTR_5 1 3.054772e-03 3.217100e-05 ; 4.681815e-01 7.251589e-02 0.003420 0.016820 0.001369 0.007651 True native_MD 7 15 40 CA_TTR_2 N_TTR_6 1 3.042326e-03 2.877920e-05 ; 4.598810e-01 8.040311e-02 0.002983 0.009834 0.001369 0.007651 True native_MD 7 15 42 - CA_TTR_2 CA_TTR_6 1 0.000000e+00 6.667374e-05 ; 3.997832e-01 -6.667374e-05 0.006066 0.023120 0.001369 0.003776 True native_MD 7 15 44 + CA_TTR_2 CA_TTR_6 1 0.000000e+00 6.667423e-05 ; 3.997835e-01 -6.667423e-05 0.006066 0.023120 0.001369 0.003776 True native_MD 7 15 44 CA_TTR_2 CB_TTR_6 1 4.517994e-03 6.910725e-05 ; 4.982298e-01 7.384271e-02 0.008049 0.023377 0.001369 0.004833 True native_MD 7 15 45 CA_TTR_2 CG_TTR_6 1 5.294073e-03 8.762279e-05 ; 5.048215e-01 7.996551e-02 0.027844 0.046317 0.001369 0.003776 True native_MD 7 15 46 CA_TTR_2 CD1_TTR_6 1 3.097111e-03 2.312672e-05 ; 4.421058e-01 1.036906e-01 0.016258 0.030641 0.001369 0.014251 True native_MD 7 15 47 CA_TTR_2 CD2_TTR_6 1 3.445307e-03 2.526830e-05 ; 4.407828e-01 1.174411e-01 0.017656 0.016567 0.001369 0.014251 True native_MD 7 15 48 - CA_TTR_2 CG_TTR_7 1 0.000000e+00 6.634390e-05 ; 3.996180e-01 -6.634390e-05 0.001843 0.013866 0.001369 0.003776 True native_MD 7 15 55 + CA_TTR_2 CG_TTR_7 1 0.000000e+00 6.634439e-05 ; 3.996183e-01 -6.634439e-05 0.001843 0.013866 0.001369 0.003776 True native_MD 7 15 55 CA_TTR_2 CD1_TTR_7 1 1.846764e-03 1.111582e-05 ; 4.265026e-01 7.670458e-02 0.001939 0.014364 0.001369 0.014251 True native_MD 7 15 56 CA_TTR_2 CD2_TTR_7 1 1.995707e-03 1.420445e-05 ; 4.385859e-01 7.009853e-02 0.001376 0.008407 0.001369 0.014251 True native_MD 7 15 57 CA_TTR_2 CA_TTR_8 1 3.426358e-03 3.239993e-05 ; 4.598525e-01 9.058604e-02 0.004318 0.004191 0.001369 0.003776 True native_MD 7 15 62 @@ -969,40 +969,40 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 CB_TTR_2 N_TTR_3 1 1.059432e-02 9.700035e-05 ; 4.573865e-01 2.892765e-01 0.988380 0.000000 0.028619 0.009238 False fibril 3 16 21 CB_TTR_2 CA_TTR_3 1 3.590589e-02 1.202171e-03 ; 5.677190e-01 2.681052e-01 0.702107 0.000000 0.028619 0.039532 False fibril 4 16 23 CB_TTR_2 CD_TTR_3 1 2.621289e-03 1.470003e-05 ; 4.215029e-01 1.168561e-01 0.131814 0.127407 0.001369 0.014251 True native_MD 7 16 27 - CB_TTR_2 C_TTR_3 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 16 28 + CB_TTR_2 C_TTR_3 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 16 28 CB_TTR_2 O_TTR_3 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000 0.000000 0.028619 0.046463 False fibril 6 16 29 - CB_TTR_2 N_TTR_4 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 16 30 + CB_TTR_2 N_TTR_4 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 16 30 CB_TTR_2 CA_TTR_4 1 4.730067e-03 5.781300e-05 ; 4.799467e-01 9.674956e-02 0.358993 0.254918 0.001369 0.003776 True native_MD 7 16 32 CB_TTR_2 CB_TTR_4 1 2.144605e-03 1.047146e-05 ; 4.118856e-01 1.098063e-01 0.094512 0.130619 0.001369 0.014251 True native_MD 7 16 33 - CB_TTR_2 C_TTR_4 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 16 34 + CB_TTR_2 C_TTR_4 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 16 34 CB_TTR_2 O_TTR_4 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000 0.000000 0.028619 0.046463 False fibril 7 16 35 - CB_TTR_2 N_TTR_5 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 16 36 + CB_TTR_2 N_TTR_5 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 16 36 CB_TTR_2 CA_TTR_5 1 3.350161e-03 3.458710e-05 ; 4.666323e-01 8.112545e-02 0.085745 0.134484 0.001369 0.003776 True native_MD 7 16 38 CB_TTR_2 CB_TTR_5 1 1.058319e-03 2.606215e-06 ; 3.674788e-01 1.074392e-01 0.079568 0.123993 0.001369 0.014251 True native_MD 7 16 39 - CB_TTR_2 C_TTR_5 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 16 40 + CB_TTR_2 C_TTR_5 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 16 40 CB_TTR_2 O_TTR_5 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000 0.000000 0.028619 0.046463 False fibril 7 16 41 - CB_TTR_2 N_TTR_6 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 16 42 + CB_TTR_2 N_TTR_6 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 16 42 CB_TTR_2 CA_TTR_6 1 3.912530e-03 5.156486e-05 ; 4.860147e-01 7.421669e-02 0.008645 0.019249 0.001369 0.003776 True native_MD 7 16 44 CB_TTR_2 CB_TTR_6 1 1.685558e-03 8.564902e-06 ; 4.146323e-01 8.292874e-02 0.011718 0.021466 0.001369 0.004833 True native_MD 7 16 45 CB_TTR_2 CG_TTR_6 1 3.299608e-03 3.275260e-05 ; 4.635863e-01 8.310342e-02 0.028911 0.041016 0.001369 0.003776 True native_MD 7 16 46 CB_TTR_2 CD1_TTR_6 1 1.457399e-03 4.990730e-06 ; 3.882376e-01 1.063978e-01 0.017713 0.029100 0.001369 0.014251 True native_MD 7 16 47 CB_TTR_2 CD2_TTR_6 1 1.240959e-03 3.255228e-06 ; 3.713676e-01 1.182698e-01 0.021703 0.019526 0.001369 0.014251 True native_MD 7 16 48 - CB_TTR_2 C_TTR_6 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 16 49 + CB_TTR_2 C_TTR_6 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 16 49 CB_TTR_2 O_TTR_6 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000 0.000000 0.028619 0.046463 False fibril 7 16 50 - CB_TTR_2 N_TTR_7 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 16 51 - CB_TTR_2 CA_TTR_7 1 0.000000e+00 6.599227e-05 ; 3.994411e-01 -6.599227e-05 0.003204 0.009863 0.001369 0.003776 True native_MD 7 16 53 - CB_TTR_2 CG_TTR_7 1 0.000000e+00 6.670937e-05 ; 3.998010e-01 -6.670937e-05 0.003479 0.021077 0.001369 0.003776 True native_MD 7 16 55 + CB_TTR_2 N_TTR_7 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 16 51 + CB_TTR_2 CA_TTR_7 1 0.000000e+00 6.599276e-05 ; 3.994414e-01 -6.599276e-05 0.003204 0.009863 0.001369 0.003776 True native_MD 7 16 53 + CB_TTR_2 CG_TTR_7 1 0.000000e+00 6.670986e-05 ; 3.998013e-01 -6.670986e-05 0.003479 0.021077 0.001369 0.003776 True native_MD 7 16 55 CB_TTR_2 CD1_TTR_7 1 1.125461e-03 3.799809e-06 ; 3.873218e-01 8.333717e-02 0.003404 0.018014 0.001369 0.014251 True native_MD 7 16 56 CB_TTR_2 CD2_TTR_7 1 7.627970e-04 1.741242e-06 ; 3.628622e-01 8.354085e-02 0.002721 0.013197 0.001369 0.014251 True native_MD 7 16 57 - CB_TTR_2 C_TTR_7 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 16 58 + CB_TTR_2 C_TTR_7 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 16 58 CB_TTR_2 O_TTR_7 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000 0.000000 0.028619 0.046463 False fibril 7 16 59 - CB_TTR_2 N_TTR_8 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 16 60 + CB_TTR_2 N_TTR_8 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 16 60 CB_TTR_2 CA_TTR_8 1 2.016803e-03 1.248660e-05 ; 4.285125e-01 8.143715e-02 0.005884 0.009084 0.001369 0.003776 True native_MD 7 16 62 CB_TTR_2 CB_TTR_8 1 1.443060e-03 6.320984e-06 ; 4.044983e-01 8.236149e-02 0.005559 0.010481 0.001369 0.004833 True native_MD 7 16 63 - CB_TTR_2 OG_TTR_8 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 16 64 - CB_TTR_2 C_TTR_8 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 16 65 + CB_TTR_2 OG_TTR_8 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 16 64 + CB_TTR_2 C_TTR_8 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 16 65 CB_TTR_2 O_TTR_8 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000 0.000000 0.028619 0.046463 False fibril 7 16 66 - CB_TTR_2 N_TTR_9 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 16 67 + CB_TTR_2 N_TTR_9 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 16 67 CB_TTR_2 CA_TTR_9 1 9.705502e-03 8.120596e-05 ; 4.505694e-01 2.899934e-01 0.999893 0.000000 0.028619 0.039532 False fibril 7 16 68 CB_TTR_2 CB_TTR_9 1 3.880163e-03 1.298018e-05 ; 3.867276e-01 2.899742e-01 0.999583 0.000000 0.028619 0.042761 False fibril 7 16 69 CB_TTR_2 CG_TTR_9 1 1.330654e-02 1.526413e-04 ; 4.748989e-01 2.900000e-01 1.000000 0.000000 0.028619 0.042761 False fibril 7 16 70 @@ -1018,54 +1018,54 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 CB_TTR_2 CE1_TTR_10 1 9.846541e-04 2.688646e-06 ; 3.738594e-01 9.015167e-02 0.003805 0.006180 0.001369 0.014253 True native_MD 7 16 81 CB_TTR_2 CE2_TTR_10 1 9.846541e-04 2.688646e-06 ; 3.738594e-01 9.015167e-02 0.003805 0.006180 0.001369 0.014253 True native_MD 7 16 82 CB_TTR_2 CZ_TTR_10 1 1.278740e-03 4.800940e-06 ; 3.942369e-01 8.514880e-02 0.002953 0.006782 0.001369 0.014253 True native_MD 7 16 83 - CB_TTR_2 OH_TTR_10 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 16 84 + CB_TTR_2 OH_TTR_10 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 16 84 CB_TTR_2 C_TTR_10 1 3.704308e-03 1.182922e-05 ; 3.837439e-01 2.900000e-01 1.000000 0.000000 0.028619 0.009238 False fibril 7 16 85 CB_TTR_2 O_TTR_10 1 8.949119e-04 6.904029e-07 ; 3.028450e-01 2.900000e-01 1.000000 0.000000 0.028619 0.046463 False fibril 7 16 86 CB_TTR_2 N_TTR_11 1 9.348282e-03 7.533653e-05 ; 4.477604e-01 2.900000e-01 1.000000 0.000000 0.028619 0.009238 False fibril 7 16 87 CB_TTR_2 CA_TTR_11 1 1.242557e-02 1.331171e-04 ; 4.695188e-01 2.899602e-01 0.999358 0.000000 0.028619 0.039532 False fibril 7 16 89 CB_TTR_2 CB_TTR_11 1 5.918896e-03 3.020374e-05 ; 4.149254e-01 2.899751e-01 0.999598 0.000000 0.028619 0.042764 False fibril 7 16 90 CB_TTR_2 OG_TTR_11 1 3.051234e-03 8.025887e-06 ; 3.715377e-01 2.900000e-01 1.000000 0.000000 0.028619 0.009238 False fibril 7 16 91 - CB_TTR_2 C_TTR_11 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 16 92 - CB_TTR_2 O1_TTR_11 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 16 93 - CB_TTR_2 O2_TTR_11 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 16 94 + CB_TTR_2 C_TTR_11 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 16 92 + CB_TTR_2 O1_TTR_11 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 16 93 + CB_TTR_2 O2_TTR_11 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 16 94 OG1_TTR_2 CG2_TTR_2 1 5.298401e-03 2.420156e-05 ; 4.073331e-01 2.899922e-01 0.999874 0.000000 0.028619 0.009238 False fibril 2 17 18 OG1_TTR_2 H_TTR_3 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 17 22 - OG1_TTR_2 CB_TTR_3 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 17 24 - OG1_TTR_2 CG1_TTR_3 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 17 25 - OG1_TTR_2 CG2_TTR_3 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 17 26 - OG1_TTR_2 CD_TTR_3 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 17 27 + OG1_TTR_2 CB_TTR_3 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 17 24 + OG1_TTR_2 CG1_TTR_3 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 17 25 + OG1_TTR_2 CG2_TTR_3 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 17 26 + OG1_TTR_2 CD_TTR_3 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 17 27 OG1_TTR_2 O_TTR_3 1 2.998288e-04 1.577757e-07 ; 2.841370e-01 1.424448e-01 0.126596 0.040553 0.001369 0.017292 True native_MD 7 17 29 OG1_TTR_2 N_TTR_4 1 2.210915e-04 1.007013e-07 ; 2.773813e-01 1.213525e-01 0.058969 0.055057 0.001369 0.017292 True native_MD 7 17 30 OG1_TTR_2 H_TTR_4 1 1.171166e-05 2.506433e-10 ; 1.666248e-01 1.368109e-01 0.040565 0.032620 0.001369 0.079189 True native_MD 7 17 31 OG1_TTR_2 CA_TTR_4 1 8.149447e-04 1.568506e-06 ; 3.526899e-01 1.058547e-01 0.077201 0.069994 0.001369 0.007651 True native_MD 7 17 32 - OG1_TTR_2 CB_TTR_4 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 17 33 + OG1_TTR_2 CB_TTR_4 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 17 33 OG1_TTR_2 C_TTR_4 1 6.667936e-04 8.659034e-07 ; 3.303034e-01 1.283670e-01 0.031005 0.020282 0.001369 0.017292 True native_MD 7 17 34 OG1_TTR_2 O_TTR_4 1 9.590387e-05 2.000505e-08 ; 2.435289e-01 1.149404e-01 0.013379 0.016942 0.001369 0.017292 True native_MD 7 17 35 OG1_TTR_2 N_TTR_5 1 1.927187e-04 7.751187e-08 ; 2.716903e-01 1.197897e-01 0.026089 0.026368 0.001369 0.017292 True native_MD 7 17 36 OG1_TTR_2 H_TTR_5 1 1.287513e-05 3.398476e-10 ; 1.725528e-01 1.219437e-01 0.019084 0.012324 0.001369 0.079189 True native_MD 7 17 37 OG1_TTR_2 CA_TTR_5 1 7.383164e-04 1.362896e-06 ; 3.502435e-01 9.999131e-02 0.037796 0.046136 0.001369 0.007651 True native_MD 7 17 38 - OG1_TTR_2 CB_TTR_5 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 17 39 + OG1_TTR_2 CB_TTR_5 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 17 39 OG1_TTR_2 H_TTR_6 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 17 43 OG1_TTR_2 CA_TTR_6 1 1.127992e-03 4.214279e-06 ; 3.939153e-01 7.547947e-02 0.001808 0.005377 0.001369 0.007651 True native_MD 7 17 44 - OG1_TTR_2 CB_TTR_6 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 17 45 - OG1_TTR_2 CG_TTR_6 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 17 46 - OG1_TTR_2 CD1_TTR_6 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 17 47 - OG1_TTR_2 CD2_TTR_6 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 17 48 + OG1_TTR_2 CB_TTR_6 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 17 45 + OG1_TTR_2 CG_TTR_6 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 17 46 + OG1_TTR_2 CD1_TTR_6 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 17 47 + OG1_TTR_2 CD2_TTR_6 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 17 48 OG1_TTR_2 H_TTR_7 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 17 52 - OG1_TTR_2 CB_TTR_7 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 17 54 - OG1_TTR_2 CG_TTR_7 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 17 55 - OG1_TTR_2 CD1_TTR_7 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 17 56 - OG1_TTR_2 CD2_TTR_7 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 17 57 + OG1_TTR_2 CB_TTR_7 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 17 54 + OG1_TTR_2 CG_TTR_7 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 17 55 + OG1_TTR_2 CD1_TTR_7 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 17 56 + OG1_TTR_2 CD2_TTR_7 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 17 57 OG1_TTR_2 H_TTR_8 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 17 61 OG1_TTR_2 CA_TTR_8 1 4.087009e-04 4.866322e-07 ; 3.255611e-01 8.581248e-02 0.003054 0.003205 0.001369 0.007651 True native_MD 7 17 62 - OG1_TTR_2 CB_TTR_8 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 17 63 - OG1_TTR_2 CB_TTR_9 1 0.000000e+00 2.447822e-06 ; 2.180762e-06 -2.447822e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 17 69 - OG1_TTR_2 CG_TTR_9 1 0.000000e+00 2.447822e-06 ; 2.180762e-06 -2.447822e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 17 70 - OG1_TTR_2 CD_TTR_9 1 0.000000e+00 2.447822e-06 ; 2.180762e-06 -2.447822e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 17 71 + OG1_TTR_2 CB_TTR_8 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 17 63 + OG1_TTR_2 CB_TTR_9 1 0.000000e+00 2.447787e-06 ; 2.180730e-06 -2.447787e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 17 69 + OG1_TTR_2 CG_TTR_9 1 0.000000e+00 2.447787e-06 ; 2.180730e-06 -2.447787e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 17 70 + OG1_TTR_2 CD_TTR_9 1 0.000000e+00 2.447787e-06 ; 2.180730e-06 -2.447787e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 17 71 OG1_TTR_2 N_TTR_10 1 2.279709e-03 8.017294e-06 ; 3.899642e-01 1.620582e-01 0.126608 0.000000 0.028619 0.064181 False fibril 7 17 74 OG1_TTR_2 H_TTR_10 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 17 75 OG1_TTR_2 CA_TTR_10 1 6.115788e-03 3.224536e-05 ; 4.171918e-01 2.899864e-01 0.999780 0.000000 0.028619 0.049502 False fibril 7 17 76 - OG1_TTR_2 CB_TTR_10 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 17 77 + OG1_TTR_2 CB_TTR_10 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 17 77 OG1_TTR_2 CE1_TTR_10 1 2.488537e-04 1.886375e-07 ; 3.019585e-01 8.207299e-02 0.002526 0.002161 0.001369 0.035467 True native_MD 7 17 81 OG1_TTR_2 CE2_TTR_10 1 2.488537e-04 1.886375e-07 ; 3.019585e-01 8.207299e-02 0.002526 0.002161 0.001369 0.035467 True native_MD 7 17 82 OG1_TTR_2 CZ_TTR_10 1 2.941485e-04 2.870624e-07 ; 3.149452e-01 7.535238e-02 0.001796 0.002244 0.001369 0.035467 True native_MD 7 17 83 @@ -1080,43 +1080,43 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 CG2_TTR_2 CG2_TTR_2 1 6.057459e-03 3.163173e-05 ; 4.165228e-01 2.900000e-01 1.000000 0.000000 0.028619 0.104186 False fibril 0 18 18 CG2_TTR_2 C_TTR_2 1 7.541874e-03 5.223362e-05 ; 4.365947e-01 2.722378e-01 0.750575 0.000000 0.028619 0.009238 False fibril 3 18 19 CG2_TTR_2 O_TTR_2 1 3.672774e-03 1.334358e-05 ; 3.920845e-01 2.527296e-01 0.547696 0.000000 0.028619 0.046463 False fibril 4 18 20 - CG2_TTR_2 N_TTR_3 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 18 21 + CG2_TTR_2 N_TTR_3 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 18 21 CG2_TTR_2 CA_TTR_3 1 1.345659e-02 2.893545e-04 ; 5.273301e-01 1.564515e-01 0.115645 0.000000 0.028619 0.060347 False fibril 5 18 23 CG2_TTR_2 CG1_TTR_3 1 1.953386e-03 8.821811e-06 ; 4.065634e-01 1.081330e-01 0.065844 0.136210 0.001369 0.019596 True native_MD 7 18 25 CG2_TTR_2 CG2_TTR_3 1 1.897843e-03 6.817600e-06 ; 3.913469e-01 1.320776e-01 0.033590 0.083329 0.001369 0.079154 True native_MD 7 18 26 CG2_TTR_2 CD_TTR_3 1 1.707456e-03 5.838499e-06 ; 3.881432e-01 1.248354e-01 0.022099 0.050297 0.001369 0.079154 True native_MD 7 18 27 - CG2_TTR_2 C_TTR_3 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 18 28 + CG2_TTR_2 C_TTR_3 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 18 28 CG2_TTR_2 O_TTR_3 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 18 29 - CG2_TTR_2 N_TTR_4 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 18 30 + CG2_TTR_2 N_TTR_4 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 18 30 CG2_TTR_2 CA_TTR_4 1 3.220083e-03 2.068708e-05 ; 4.311602e-01 1.253069e-01 0.167758 0.105627 0.001369 0.014251 True native_MD 7 18 32 CG2_TTR_2 CB_TTR_4 1 1.416566e-03 3.526615e-06 ; 3.681461e-01 1.422512e-01 0.053454 0.066655 0.001369 0.079154 True native_MD 7 18 33 - CG2_TTR_2 C_TTR_4 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 18 34 + CG2_TTR_2 C_TTR_4 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 18 34 CG2_TTR_2 O_TTR_4 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 18 35 - CG2_TTR_2 N_TTR_5 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 18 36 + CG2_TTR_2 N_TTR_5 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 18 36 CG2_TTR_2 CA_TTR_5 1 1.882773e-03 7.851408e-06 ; 4.011975e-01 1.128726e-01 0.048589 0.057480 0.001369 0.014251 True native_MD 7 18 38 CG2_TTR_2 CB_TTR_5 1 9.371922e-04 1.540187e-06 ; 3.435243e-01 1.425686e-01 0.054322 0.060852 0.001369 0.079154 True native_MD 7 18 39 - CG2_TTR_2 C_TTR_5 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 18 40 + CG2_TTR_2 C_TTR_5 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 18 40 CG2_TTR_2 O_TTR_5 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 18 41 - CG2_TTR_2 N_TTR_6 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 18 42 + CG2_TTR_2 N_TTR_6 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 18 42 CG2_TTR_2 CA_TTR_6 1 1.992044e-03 9.490155e-06 ; 4.102001e-01 1.045357e-01 0.007893 0.010757 0.001369 0.014251 True native_MD 7 18 44 CG2_TTR_2 CB_TTR_6 1 1.110710e-03 2.832615e-06 ; 3.696276e-01 1.088815e-01 0.009839 0.011402 0.001369 0.019596 True native_MD 7 18 45 CG2_TTR_2 CG_TTR_6 1 1.833370e-03 7.292785e-06 ; 3.980527e-01 1.152251e-01 0.020695 0.021729 0.001369 0.014251 True native_MD 7 18 46 CG2_TTR_2 CD1_TTR_6 1 9.862552e-04 2.124603e-06 ; 3.593752e-01 1.144566e-01 0.013054 0.017356 0.001369 0.079154 True native_MD 7 18 47 CG2_TTR_2 CD2_TTR_6 1 8.318031e-04 1.428325e-06 ; 3.460464e-01 1.211028e-01 0.018287 0.013448 0.001369 0.079154 True native_MD 7 18 48 - CG2_TTR_2 C_TTR_6 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 18 49 + CG2_TTR_2 C_TTR_6 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 18 49 CG2_TTR_2 O_TTR_6 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 18 50 - CG2_TTR_2 N_TTR_7 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 18 51 + CG2_TTR_2 N_TTR_7 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 18 51 CG2_TTR_2 CA_TTR_7 1 1.791264e-03 9.142119e-06 ; 4.149361e-01 8.774301e-02 0.003368 0.007435 0.001369 0.014251 True native_MD 7 18 53 CG2_TTR_2 CG_TTR_7 1 1.533039e-03 6.877978e-06 ; 4.061171e-01 8.542517e-02 0.003562 0.016953 0.001369 0.014251 True native_MD 7 18 55 CG2_TTR_2 CD1_TTR_7 1 5.637735e-04 9.375780e-07 ; 3.442050e-01 8.475044e-02 0.002894 0.015349 0.001369 0.079154 True native_MD 7 18 56 CG2_TTR_2 CD2_TTR_7 1 6.228700e-04 1.170811e-06 ; 3.513027e-01 8.284153e-02 0.002627 0.011633 0.001369 0.079154 True native_MD 7 18 57 - CG2_TTR_2 C_TTR_7 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 18 58 + CG2_TTR_2 C_TTR_7 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 18 58 CG2_TTR_2 O_TTR_7 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 18 59 - CG2_TTR_2 N_TTR_8 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 18 60 + CG2_TTR_2 N_TTR_8 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 18 60 CG2_TTR_2 CA_TTR_8 1 1.038547e-03 2.747248e-06 ; 3.718879e-01 9.815084e-02 0.005709 0.006487 0.001369 0.014251 True native_MD 7 18 62 CG2_TTR_2 CB_TTR_8 1 9.502224e-04 2.384686e-06 ; 3.686387e-01 9.465846e-02 0.004783 0.007321 0.001369 0.019596 True native_MD 7 18 63 - CG2_TTR_2 OG_TTR_8 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 18 64 - CG2_TTR_2 C_TTR_8 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 18 65 + CG2_TTR_2 OG_TTR_8 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 18 64 + CG2_TTR_2 C_TTR_8 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 18 65 CG2_TTR_2 O_TTR_8 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 18 66 CG2_TTR_2 N_TTR_9 1 2.822888e-03 2.103321e-05 ; 4.419455e-01 9.471562e-02 0.042662 0.000000 0.028619 0.009238 False fibril 7 18 67 CG2_TTR_2 CA_TTR_9 1 2.203683e-03 4.186395e-06 ; 3.519237e-01 2.900000e-01 1.000000 0.000000 0.028619 0.060347 False fibril 7 18 68 @@ -1134,14 +1134,14 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 CG2_TTR_2 CE1_TTR_10 1 3.230981e-04 3.448323e-07 ; 3.196776e-01 7.568347e-02 0.001827 0.005020 0.001369 0.079167 True native_MD 7 18 81 CG2_TTR_2 CE2_TTR_10 1 3.230981e-04 3.448323e-07 ; 3.196776e-01 7.568347e-02 0.001827 0.005020 0.001369 0.079167 True native_MD 7 18 82 CG2_TTR_2 CZ_TTR_10 1 5.138105e-04 9.250607e-07 ; 3.487877e-01 7.134700e-02 0.001466 0.004815 0.001369 0.079167 True native_MD 7 18 83 - CG2_TTR_2 OH_TTR_10 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 18 84 + CG2_TTR_2 OH_TTR_10 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 18 84 CG2_TTR_2 C_TTR_10 1 2.734282e-03 6.445083e-06 ; 3.648079e-01 2.900000e-01 1.000000 0.000000 0.028619 0.009238 False fibril 7 18 85 CG2_TTR_2 O_TTR_10 1 5.217313e-04 2.346782e-07 ; 2.768031e-01 2.899753e-01 0.999601 0.000000 0.028619 0.046463 False fibril 7 18 86 CG2_TTR_2 N_TTR_11 1 6.768258e-03 4.566141e-05 ; 4.346891e-01 2.508098e-01 0.530973 0.000000 0.028619 0.009238 False fibril 7 18 87 CG2_TTR_2 CA_TTR_11 1 1.655450e-02 2.362539e-04 ; 4.925048e-01 2.899966e-01 0.999946 0.000000 0.028619 0.060347 False fibril 7 18 89 CG2_TTR_2 CB_TTR_11 1 8.969023e-03 6.935714e-05 ; 4.446903e-01 2.899607e-01 0.999366 0.000000 0.028619 0.066790 False fibril 7 18 90 - CG2_TTR_2 OG_TTR_11 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 18 91 - CG2_TTR_2 C_TTR_11 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 18 92 + CG2_TTR_2 OG_TTR_11 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 18 91 + CG2_TTR_2 C_TTR_11 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 18 92 CG2_TTR_2 O1_TTR_11 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 18 93 CG2_TTR_2 O2_TTR_11 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 18 94 C_TTR_2 C_TTR_2 1 6.029914e-03 3.134471e-05 ; 4.162065e-01 2.900000e-01 1.000000 0.000000 0.028619 0.064180 False fibril 0 19 19 @@ -1149,38 +1149,38 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 C_TTR_2 N_TTR_3 1 2.931657e-03 7.409310e-06 ; 3.690717e-01 2.899937e-01 0.999898 0.000000 0.028619 0.064181 False fibril 1 19 21 C_TTR_2 CA_TTR_3 1 1.184353e-02 1.209218e-04 ; 4.657690e-01 2.900000e-01 1.000000 0.000000 0.028619 0.049502 False fibril 2 19 23 C_TTR_2 CB_TTR_3 1 9.941731e-03 8.520701e-05 ; 4.523788e-01 2.899938e-01 0.999900 0.000000 0.028619 0.009238 False fibril 3 19 24 - C_TTR_2 CG1_TTR_3 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 19 25 - C_TTR_2 CG2_TTR_3 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 19 26 - C_TTR_2 CD_TTR_3 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 19 27 - C_TTR_2 CB_TTR_4 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 19 33 + C_TTR_2 CG1_TTR_3 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 19 25 + C_TTR_2 CG2_TTR_3 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 19 26 + C_TTR_2 CD_TTR_3 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 19 27 + C_TTR_2 CB_TTR_4 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 19 33 C_TTR_2 O_TTR_4 1 4.457587e-04 4.508412e-07 ; 3.168259e-01 1.101834e-01 0.022945 0.037748 0.001369 0.017292 True native_MD 7 19 35 C_TTR_2 N_TTR_5 1 7.217513e-04 1.281871e-06 ; 3.479975e-01 1.015946e-01 0.064311 0.163555 0.001369 0.017291 True native_MD 7 19 36 C_TTR_2 CA_TTR_5 1 2.147582e-03 1.326730e-05 ; 4.283566e-01 8.690748e-02 0.071310 0.169014 0.001369 0.007651 True native_MD 7 19 38 - C_TTR_2 CB_TTR_5 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 19 39 + C_TTR_2 CB_TTR_5 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 19 39 C_TTR_2 C_TTR_5 1 2.059399e-03 1.063661e-05 ; 4.157611e-01 9.968224e-02 0.006171 0.014265 0.001369 0.017291 True native_MD 7 19 40 C_TTR_2 N_TTR_6 1 1.099722e-03 2.977005e-06 ; 3.733213e-01 1.015608e-01 0.006973 0.017763 0.001369 0.017291 True native_MD 7 19 42 C_TTR_2 CA_TTR_6 1 2.705283e-03 2.305291e-05 ; 4.519449e-01 7.936697e-02 0.007671 0.026650 0.001369 0.007651 True native_MD 7 19 44 - C_TTR_2 CB_TTR_6 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 19 45 - C_TTR_2 CG_TTR_6 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 19 46 - C_TTR_2 CD1_TTR_6 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 19 47 - C_TTR_2 CD2_TTR_6 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 19 48 - C_TTR_2 CB_TTR_7 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 19 54 - C_TTR_2 CG_TTR_7 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 19 55 - C_TTR_2 CD1_TTR_7 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 19 56 - C_TTR_2 CD2_TTR_7 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 19 57 + C_TTR_2 CB_TTR_6 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 19 45 + C_TTR_2 CG_TTR_6 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 19 46 + C_TTR_2 CD1_TTR_6 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 19 47 + C_TTR_2 CD2_TTR_6 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 19 48 + C_TTR_2 CB_TTR_7 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 19 54 + C_TTR_2 CG_TTR_7 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 19 55 + C_TTR_2 CD1_TTR_7 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 19 56 + C_TTR_2 CD2_TTR_7 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 19 57 C_TTR_2 CA_TTR_8 1 3.440397e-03 4.013634e-05 ; 4.762353e-01 7.372576e-02 0.001654 0.001132 0.001369 0.007651 True native_MD 7 19 62 - C_TTR_2 CB_TTR_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 19 63 + C_TTR_2 CB_TTR_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 19 63 C_TTR_2 C_TTR_8 1 1.611705e-03 8.762920e-06 ; 4.193344e-01 7.410754e-02 0.001687 0.000000 0.001369 0.017291 True native_MD 7 19 65 C_TTR_2 O_TTR_8 1 2.825946e-04 2.627036e-07 ; 3.124043e-01 7.599791e-02 0.001856 0.000196 0.001369 0.017292 True native_MD 7 19 66 C_TTR_2 CB_TTR_9 1 7.216536e-03 4.489521e-05 ; 4.288564e-01 2.899997e-01 0.999996 0.000000 0.028619 0.009238 False fibril 7 19 69 C_TTR_2 CG_TTR_9 1 7.212052e-03 7.350123e-05 ; 4.656282e-01 1.769144e-01 0.160946 0.000000 0.028619 0.009238 False fibril 7 19 70 - C_TTR_2 CD_TTR_9 1 0.000000e+00 5.570103e-06 ; 4.962397e-06 -5.570103e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 19 71 - C_TTR_2 CB_TTR_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 19 77 + C_TTR_2 CD_TTR_9 1 0.000000e+00 5.570011e-06 ; 4.962315e-06 -5.570011e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 19 71 + C_TTR_2 CB_TTR_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 19 77 C_TTR_2 CE1_TTR_10 1 9.669389e-04 2.615643e-06 ; 3.732759e-01 8.936337e-02 0.003656 0.001759 0.001369 0.035465 True native_MD 7 19 81 C_TTR_2 CE2_TTR_10 1 9.669389e-04 2.615643e-06 ; 3.732759e-01 8.936337e-02 0.003656 0.001759 0.001369 0.035465 True native_MD 7 19 82 C_TTR_2 CZ_TTR_10 1 1.330818e-03 5.025185e-06 ; 3.946138e-01 8.810997e-02 0.003431 0.002247 0.001369 0.035465 True native_MD 7 19 83 C_TTR_2 OH_TTR_10 1 3.605931e-03 1.126600e-05 ; 3.823479e-01 2.885395e-01 0.976684 0.000000 0.028619 0.064181 False fibril 7 19 84 - C_TTR_2 CB_TTR_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 19 90 + C_TTR_2 CB_TTR_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 19 90 O_TTR_2 O_TTR_2 1 5.524260e-03 2.778061e-05 ; 4.139151e-01 2.746290e-01 0.780134 0.000000 0.028619 0.009238 False fibril 0 20 20 O_TTR_2 N_TTR_3 1 5.772178e-04 2.872275e-07 ; 2.815017e-01 2.899969e-01 0.999950 0.000000 0.028619 0.064181 False fibril 2 20 21 O_TTR_2 H_TTR_3 1 1.210537e-04 1.263276e-08 ; 2.169802e-01 2.900000e-01 1.000000 0.000000 0.028619 0.104201 False fibril 3 20 22 @@ -1238,41 +1238,41 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 N_TTR_3 CA_TTR_3 1 4.790810e-03 1.978609e-05 ; 4.005516e-01 2.900000e-01 1.000000 0.000000 0.028619 0.049502 False fibril 1 21 23 N_TTR_3 CB_TTR_3 1 1.172773e-02 1.186307e-04 ; 4.650473e-01 2.898484e-01 0.997554 0.000000 0.028619 0.009238 False fibril 2 21 24 N_TTR_3 CG1_TTR_3 1 6.507179e-03 4.178033e-05 ; 4.311184e-01 2.533691e-01 0.553384 0.000000 0.028619 0.009238 False fibril 3 21 25 - N_TTR_3 CG2_TTR_3 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 21 26 - N_TTR_3 CD_TTR_3 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 21 27 + N_TTR_3 CG2_TTR_3 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 21 26 + N_TTR_3 CD_TTR_3 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 21 27 N_TTR_3 O_TTR_3 1 5.134660e-03 2.317434e-05 ; 4.065206e-01 2.844173e-01 0.913769 0.000000 0.028619 0.064181 False fibril 3 21 29 N_TTR_3 N_TTR_4 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 3 21 30 - N_TTR_3 CB_TTR_4 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 21 33 + N_TTR_3 CB_TTR_4 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 21 33 N_TTR_3 N_TTR_5 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 6 21 36 N_TTR_3 CA_TTR_5 1 3.698169e-03 3.916347e-05 ; 4.686145e-01 8.730365e-02 0.019492 0.045281 0.001369 0.007651 True native_MD 7 21 38 - N_TTR_3 CB_TTR_5 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 21 39 + N_TTR_3 CB_TTR_5 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 21 39 N_TTR_3 O_TTR_5 1 6.301195e-04 1.249252e-06 ; 3.544360e-01 7.945764e-02 0.002212 0.005280 0.001369 0.017292 True native_MD 7 21 41 N_TTR_3 N_TTR_6 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 7 21 42 N_TTR_3 CA_TTR_6 1 2.933113e-03 2.909489e-05 ; 4.635337e-01 7.392322e-02 0.001671 0.002400 0.001369 0.007651 True native_MD 7 21 44 - N_TTR_3 CB_TTR_6 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 21 45 - N_TTR_3 CG_TTR_6 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 21 46 - N_TTR_3 CD1_TTR_6 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 21 47 - N_TTR_3 CD2_TTR_6 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 21 48 + N_TTR_3 CB_TTR_6 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 21 45 + N_TTR_3 CG_TTR_6 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 21 46 + N_TTR_3 CD1_TTR_6 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 21 47 + N_TTR_3 CD2_TTR_6 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 21 48 N_TTR_3 N_TTR_7 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 7 21 51 - N_TTR_3 CB_TTR_7 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 21 54 - N_TTR_3 CG_TTR_7 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 21 55 - N_TTR_3 CD1_TTR_7 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 21 56 - N_TTR_3 CD2_TTR_7 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 21 57 + N_TTR_3 CB_TTR_7 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 21 54 + N_TTR_3 CG_TTR_7 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 21 55 + N_TTR_3 CD1_TTR_7 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 21 56 + N_TTR_3 CD2_TTR_7 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 21 57 N_TTR_3 N_TTR_8 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 7 21 60 N_TTR_3 CA_TTR_8 1 1.701413e-03 9.235464e-06 ; 4.192195e-01 7.836114e-02 0.002093 0.000093 0.001369 0.007651 True native_MD 7 21 62 - N_TTR_3 CB_TTR_8 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 21 63 + N_TTR_3 CB_TTR_8 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 21 63 N_TTR_3 C_TTR_8 1 5.380736e-04 9.498510e-07 ; 3.476447e-01 7.620227e-02 0.001876 0.000000 0.001369 0.017291 True native_MD 7 21 65 N_TTR_3 O_TTR_8 1 5.853553e-05 1.109150e-08 ; 2.396598e-01 7.723047e-02 0.001976 0.000146 0.001369 0.017292 True native_MD 7 21 66 N_TTR_3 N_TTR_9 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 7 21 67 N_TTR_3 CA_TTR_9 1 1.766321e-03 1.030932e-05 ; 4.243199e-01 7.565701e-02 0.001824 0.000252 0.001369 0.007651 True native_MD 7 21 68 N_TTR_3 CB_TTR_9 1 6.079760e-03 3.186571e-05 ; 4.167793e-01 2.899942e-01 0.999906 0.000000 0.028619 0.009238 False fibril 7 21 69 N_TTR_3 CG_TTR_9 1 4.343243e-03 1.887920e-05 ; 4.039816e-01 2.497955e-01 0.522344 0.000000 0.028619 0.009238 False fibril 7 21 70 - N_TTR_3 CD_TTR_9 1 0.000000e+00 3.232756e-06 ; 2.880058e-06 -3.232756e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 21 71 + N_TTR_3 CD_TTR_9 1 0.000000e+00 3.232715e-06 ; 2.880021e-06 -3.232715e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 21 71 N_TTR_3 N_TTR_10 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 7 21 74 - N_TTR_3 CB_TTR_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 21 77 + N_TTR_3 CB_TTR_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 21 77 N_TTR_3 OH_TTR_10 1 2.644397e-03 7.396581e-06 ; 3.753624e-01 2.363537e-01 0.420397 0.000000 0.028619 0.064181 False fibril 7 21 84 N_TTR_3 N_TTR_11 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 7 21 87 - N_TTR_3 CB_TTR_11 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 21 90 + N_TTR_3 CB_TTR_11 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 21 90 H_TTR_3 H_TTR_3 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000 1.000000 1.000000 1.000000 False mg 7 22 22 H_TTR_3 O_TTR_3 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 22 29 H_TTR_3 H_TTR_4 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000 1.000000 1.000000 1.000000 False mg 7 22 31 @@ -1310,13 +1310,13 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 CA_TTR_3 C_TTR_5 1 3.454076e-03 3.472945e-05 ; 4.645805e-01 8.588276e-02 0.032553 0.081271 0.001369 0.007651 True native_MD 7 23 40 CA_TTR_3 O_TTR_5 1 8.787997e-04 2.244682e-06 ; 3.697239e-01 8.601319e-02 0.026275 0.065167 0.001369 0.007651 True native_MD 7 23 41 CA_TTR_3 N_TTR_6 1 1.768531e-03 9.774176e-06 ; 4.204792e-01 7.999915e-02 0.037435 0.125958 0.001369 0.007651 True native_MD 7 23 42 - CA_TTR_3 CA_TTR_6 1 0.000000e+00 7.351302e-05 ; 4.030498e-01 -7.351302e-05 0.065716 0.187097 0.001369 0.003776 True native_MD 7 23 44 + CA_TTR_3 CA_TTR_6 1 0.000000e+00 7.351356e-05 ; 4.030500e-01 -7.351356e-05 0.065716 0.187097 0.001369 0.003776 True native_MD 7 23 44 CA_TTR_3 CB_TTR_6 1 1.680677e-03 8.919279e-06 ; 4.176453e-01 7.917327e-02 0.073031 0.161852 0.001369 0.004833 True native_MD 7 23 45 CA_TTR_3 CG_TTR_6 1 1.389471e-03 6.181121e-06 ; 4.055424e-01 7.808570e-02 0.098584 0.180395 0.001369 0.003776 True native_MD 7 23 46 CA_TTR_3 CD1_TTR_6 1 1.203765e-03 3.315237e-06 ; 3.743940e-01 1.092720e-01 0.074436 0.105699 0.001369 0.014251 True native_MD 7 23 47 CA_TTR_3 CD2_TTR_6 1 2.220053e-03 1.011278e-05 ; 4.071470e-01 1.218418e-01 0.068662 0.051538 0.001369 0.014251 True native_MD 7 23 48 - CA_TTR_3 C_TTR_6 1 0.000000e+00 1.325759e-05 ; 3.494355e-01 -1.325759e-05 0.003313 0.019075 0.001369 0.007651 True native_MD 7 23 49 - CA_TTR_3 O_TTR_6 1 0.000000e+00 4.251489e-06 ; 3.178387e-01 -4.251489e-06 0.002347 0.025941 0.001369 0.007651 True native_MD 7 23 50 + CA_TTR_3 C_TTR_6 1 0.000000e+00 1.325752e-05 ; 3.494354e-01 -1.325752e-05 0.003313 0.019075 0.001369 0.007651 True native_MD 7 23 49 + CA_TTR_3 O_TTR_6 1 0.000000e+00 4.251523e-06 ; 3.178389e-01 -4.251523e-06 0.002347 0.025941 0.001369 0.007651 True native_MD 7 23 50 CA_TTR_3 CA_TTR_7 1 9.497882e-03 2.699525e-04 ; 5.524294e-01 8.354226e-02 0.015751 0.021855 0.001369 0.003776 True native_MD 7 23 53 CA_TTR_3 CB_TTR_7 1 5.624591e-03 7.590157e-05 ; 4.879328e-01 1.042008e-01 0.034638 0.021572 0.001369 0.004833 True native_MD 7 23 54 CA_TTR_3 CG_TTR_7 1 6.222112e-03 1.141695e-04 ; 5.135728e-01 8.477459e-02 0.033670 0.043886 0.001369 0.003776 True native_MD 7 23 55 @@ -1357,41 +1357,41 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 CB_TTR_3 CB_TTR_4 1 7.086760e-03 1.549111e-04 ; 5.287769e-01 8.104998e-02 0.034211 0.000000 0.028619 0.060347 False fibril 5 24 33 CB_TTR_3 C_TTR_4 1 1.235882e-02 1.894059e-04 ; 4.983901e-01 2.016046e-01 0.239821 0.000000 0.028619 0.009238 False fibril 5 24 34 CB_TTR_3 O_TTR_4 1 7.915836e-03 6.477675e-05 ; 4.489043e-01 2.418324e-01 0.459297 0.000000 0.028619 0.046463 False fibril 6 24 35 - CB_TTR_3 N_TTR_5 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 24 36 + CB_TTR_3 N_TTR_5 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 24 36 CB_TTR_3 CA_TTR_5 1 4.851233e-03 7.954633e-05 ; 5.040357e-01 7.396463e-02 0.161049 0.363204 0.001369 0.003776 True native_MD 7 24 38 CB_TTR_3 CB_TTR_5 1 3.449428e-03 3.186076e-05 ; 4.580556e-01 9.336370e-02 0.066146 0.210474 0.001369 0.014251 True native_MD 7 24 39 - CB_TTR_3 C_TTR_5 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 24 40 + CB_TTR_3 C_TTR_5 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 24 40 CB_TTR_3 O_TTR_5 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000 0.000000 0.028619 0.046463 False fibril 7 24 41 - CB_TTR_3 N_TTR_6 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 24 42 - CB_TTR_3 CA_TTR_6 1 0.000000e+00 7.205204e-05 ; 4.023761e-01 -7.205204e-05 0.051534 0.150630 0.001369 0.003776 True native_MD 7 24 44 + CB_TTR_3 N_TTR_6 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 24 42 + CB_TTR_3 CA_TTR_6 1 0.000000e+00 7.205257e-05 ; 4.023764e-01 -7.205257e-05 0.051534 0.150630 0.001369 0.003776 True native_MD 7 24 44 CB_TTR_3 CB_TTR_6 1 1.605948e-03 8.066569e-06 ; 4.138340e-01 7.993084e-02 0.065164 0.138973 0.001369 0.004833 True native_MD 7 24 45 CB_TTR_3 CG_TTR_6 1 1.911230e-03 1.126955e-05 ; 4.250424e-01 8.103249e-02 0.112319 0.176996 0.001369 0.003776 True native_MD 7 24 46 CB_TTR_3 CD1_TTR_6 1 1.459902e-03 4.775485e-06 ; 3.852852e-01 1.115757e-01 0.089520 0.113100 0.001369 0.014251 True native_MD 7 24 47 CB_TTR_3 CD2_TTR_6 1 1.665288e-03 5.851841e-06 ; 3.899125e-01 1.184749e-01 0.069483 0.061867 0.001369 0.014251 True native_MD 7 24 48 - CB_TTR_3 C_TTR_6 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 24 49 + CB_TTR_3 C_TTR_6 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 24 49 CB_TTR_3 O_TTR_6 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000 0.000000 0.028619 0.046463 False fibril 7 24 50 - CB_TTR_3 N_TTR_7 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 24 51 + CB_TTR_3 N_TTR_7 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 24 51 CB_TTR_3 CA_TTR_7 1 8.139402e-03 1.635318e-04 ; 5.213967e-01 1.012798e-01 0.043333 0.024454 0.001369 0.003776 True native_MD 7 24 53 CB_TTR_3 CB_TTR_7 1 3.342357e-03 2.527930e-05 ; 4.430493e-01 1.104792e-01 0.050629 0.022932 0.001369 0.004833 True native_MD 7 24 54 CB_TTR_3 CG_TTR_7 1 3.988986e-03 4.319011e-05 ; 4.703491e-01 9.210446e-02 0.056049 0.050374 0.001369 0.003776 True native_MD 7 24 55 CB_TTR_3 CD1_TTR_7 1 1.974319e-03 8.428348e-06 ; 4.027673e-01 1.156198e-01 0.033679 0.034660 0.001369 0.014251 True native_MD 7 24 56 CB_TTR_3 CD2_TTR_7 1 1.921263e-03 7.723011e-06 ; 3.987493e-01 1.194887e-01 0.029100 0.024611 0.001369 0.014251 True native_MD 7 24 57 - CB_TTR_3 C_TTR_7 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 24 58 + CB_TTR_3 C_TTR_7 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 24 58 CB_TTR_3 O_TTR_7 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000 0.000000 0.028619 0.046463 False fibril 7 24 59 - CB_TTR_3 N_TTR_8 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 24 60 + CB_TTR_3 N_TTR_8 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 24 60 CB_TTR_3 CA_TTR_8 1 3.830896e-02 1.301535e-03 ; 5.691052e-01 2.818934e-01 0.877265 0.000000 0.028619 0.039532 False fibril 7 24 62 CB_TTR_3 CB_TTR_8 1 1.003310e-02 8.677850e-05 ; 4.530674e-01 2.900000e-01 1.000000 0.000000 0.028619 0.042764 False fibril 7 24 63 CB_TTR_3 OG_TTR_8 1 8.910800e-03 6.847978e-05 ; 4.442297e-01 2.898752e-01 0.997986 0.000000 0.028619 0.009238 False fibril 7 24 64 - CB_TTR_3 C_TTR_8 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 24 65 + CB_TTR_3 C_TTR_8 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 24 65 CB_TTR_3 O_TTR_8 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000 0.000000 0.028619 0.046463 False fibril 7 24 66 - CB_TTR_3 N_TTR_9 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 24 67 + CB_TTR_3 N_TTR_9 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 24 67 CB_TTR_3 CA_TTR_9 1 3.091800e-03 3.125718e-05 ; 4.650037e-01 7.645625e-02 0.006742 0.013400 0.001369 0.003776 True native_MD 7 24 68 CB_TTR_3 CB_TTR_9 1 1.534546e-03 7.999340e-06 ; 4.164016e-01 7.359451e-02 0.003039 0.008937 0.001369 0.004832 True native_MD 7 24 69 CB_TTR_3 CG_TTR_9 1 1.266006e-02 2.935516e-04 ; 5.340002e-01 1.364982e-01 0.083782 0.000000 0.028619 0.042761 False fibril 7 24 70 CB_TTR_3 CD_TTR_9 1 2.797454e-03 1.715435e-05 ; 4.278274e-01 1.140490e-01 0.025462 0.009621 0.001369 0.004832 True native_MD 7 24 71 - CB_TTR_3 C_TTR_9 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 24 72 + CB_TTR_3 C_TTR_9 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 24 72 CB_TTR_3 O_TTR_9 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000 0.000000 0.028619 0.046463 False fibril 7 24 73 - CB_TTR_3 N_TTR_10 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 24 74 + CB_TTR_3 N_TTR_10 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 24 74 CB_TTR_3 CA_TTR_10 1 3.522814e-03 3.606071e-05 ; 4.659694e-01 8.603699e-02 0.006011 0.007349 0.001369 0.003776 True native_MD 7 24 76 CB_TTR_3 CB_TTR_10 1 4.177909e-03 5.114054e-05 ; 4.800661e-01 8.532821e-02 0.004958 0.008042 0.001369 0.004833 True native_MD 7 24 77 CB_TTR_3 CG_TTR_10 1 2.056440e-03 1.137462e-05 ; 4.205363e-01 9.294701e-02 0.004385 0.004122 0.001369 0.014253 True native_MD 7 24 78 @@ -1401,58 +1401,58 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 CB_TTR_3 CE2_TTR_10 1 1.357004e-02 1.587501e-04 ; 4.764553e-01 2.899933e-01 0.999892 0.000000 0.028619 0.060349 False fibril 7 24 82 CB_TTR_3 CZ_TTR_10 1 1.165455e-02 1.170972e-04 ; 4.645244e-01 2.899909e-01 0.999852 0.000000 0.028619 0.060349 False fibril 7 24 83 CB_TTR_3 OH_TTR_10 1 2.856823e-03 7.035720e-06 ; 3.674832e-01 2.900000e-01 1.000000 0.000000 0.028619 0.009238 False fibril 7 24 84 - CB_TTR_3 C_TTR_10 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 24 85 + CB_TTR_3 C_TTR_10 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 24 85 CB_TTR_3 O_TTR_10 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000 0.000000 0.028619 0.046463 False fibril 7 24 86 - CB_TTR_3 N_TTR_11 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 24 87 + CB_TTR_3 N_TTR_11 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 24 87 CB_TTR_3 CA_TTR_11 1 5.467270e-03 8.014623e-05 ; 4.947116e-01 9.323907e-02 0.005428 0.004606 0.001369 0.003776 True native_MD 7 24 89 CB_TTR_3 CB_TTR_11 1 2.451450e-03 1.602264e-05 ; 4.323995e-01 9.376744e-02 0.005078 0.005369 0.001369 0.004833 True native_MD 7 24 90 - CB_TTR_3 OG_TTR_11 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 24 91 - CB_TTR_3 C_TTR_11 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 24 92 - CB_TTR_3 O1_TTR_11 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 24 93 - CB_TTR_3 O2_TTR_11 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 24 94 + CB_TTR_3 OG_TTR_11 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 24 91 + CB_TTR_3 C_TTR_11 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 24 92 + CB_TTR_3 O1_TTR_11 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 24 93 + CB_TTR_3 O2_TTR_11 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 24 94 CG1_TTR_3 CG1_TTR_3 1 6.026430e-03 3.130850e-05 ; 4.161664e-01 2.900000e-01 1.000000 0.000000 0.028619 0.046456 False fibril 0 25 25 CG1_TTR_3 CG2_TTR_3 1 6.572216e-03 3.723729e-05 ; 4.222254e-01 2.899917e-01 0.999867 0.000000 0.028619 0.066790 False fibril 2 25 26 CG1_TTR_3 CD_TTR_3 1 4.403761e-03 1.671874e-05 ; 3.949693e-01 2.899907e-01 0.999849 0.000000 0.028619 0.066790 False fibril 1 25 27 CG1_TTR_3 C_TTR_3 1 7.106134e-03 7.673092e-05 ; 4.701353e-01 1.645267e-01 0.131758 0.000000 0.028619 0.009238 False fibril 3 25 28 CG1_TTR_3 O_TTR_3 1 2.817842e-03 1.703514e-05 ; 4.268135e-01 1.165273e-01 0.060681 0.000000 0.028619 0.046463 False fibril 4 25 29 - CG1_TTR_3 N_TTR_4 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 25 30 - CG1_TTR_3 C_TTR_4 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 25 34 + CG1_TTR_3 N_TTR_4 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 25 30 + CG1_TTR_3 C_TTR_4 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 25 34 CG1_TTR_3 O_TTR_4 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000 0.000000 0.028619 0.046463 False fibril 7 25 35 - CG1_TTR_3 N_TTR_5 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 25 36 + CG1_TTR_3 N_TTR_5 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 25 36 CG1_TTR_3 CA_TTR_5 1 2.159748e-03 1.656441e-05 ; 4.440809e-01 7.039962e-02 0.049040 0.169595 0.001369 0.004833 True native_MD 7 25 38 CG1_TTR_3 CB_TTR_5 1 9.489981e-04 2.745743e-06 ; 3.774845e-01 8.199942e-02 0.014409 0.112193 0.001369 0.019596 True native_MD 7 25 39 - CG1_TTR_3 C_TTR_5 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 25 40 + CG1_TTR_3 C_TTR_5 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 25 40 CG1_TTR_3 O_TTR_5 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000 0.000000 0.028619 0.046463 False fibril 7 25 41 - CG1_TTR_3 N_TTR_6 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 25 42 - CG1_TTR_3 CA_TTR_6 1 0.000000e+00 3.373309e-05 ; 3.777168e-01 -3.373309e-05 0.011935 0.072269 0.001369 0.004833 True native_MD 7 25 44 + CG1_TTR_3 N_TTR_6 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 25 42 + CG1_TTR_3 CA_TTR_6 1 0.000000e+00 3.373294e-05 ; 3.777167e-01 -3.373294e-05 0.011935 0.072269 0.001369 0.004833 True native_MD 7 25 44 CG1_TTR_3 CB_TTR_6 1 1.053788e-03 3.524422e-06 ; 3.867133e-01 7.876960e-02 0.022035 0.064648 0.001369 0.006268 True native_MD 7 25 45 CG1_TTR_3 CG_TTR_6 1 2.280314e-03 1.519066e-05 ; 4.337741e-01 8.557615e-02 0.060793 0.097371 0.001369 0.004833 True native_MD 7 25 46 CG1_TTR_3 CD1_TTR_6 1 1.354496e-03 3.959210e-06 ; 3.781277e-01 1.158475e-01 0.049718 0.069548 0.001369 0.019596 True native_MD 7 25 47 CG1_TTR_3 CD2_TTR_6 1 1.386791e-03 4.014005e-06 ; 3.775094e-01 1.197800e-01 0.036670 0.042020 0.001369 0.019596 True native_MD 7 25 48 - CG1_TTR_3 C_TTR_6 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 25 49 + CG1_TTR_3 C_TTR_6 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 25 49 CG1_TTR_3 O_TTR_6 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000 0.000000 0.028619 0.046463 False fibril 7 25 50 - CG1_TTR_3 N_TTR_7 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 25 51 + CG1_TTR_3 N_TTR_7 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 25 51 CG1_TTR_3 CA_TTR_7 1 2.564144e-03 1.715080e-05 ; 4.340672e-01 9.583858e-02 0.014811 0.014097 0.001369 0.004833 True native_MD 7 25 53 CG1_TTR_3 CB_TTR_7 1 1.063504e-03 2.578559e-06 ; 3.665273e-01 1.096581e-01 0.017769 0.010882 0.001369 0.006268 True native_MD 7 25 54 CG1_TTR_3 CG_TTR_7 1 2.185393e-03 1.270010e-05 ; 4.240134e-01 9.401383e-02 0.026885 0.028069 0.001369 0.004833 True native_MD 7 25 55 CG1_TTR_3 CD1_TTR_7 1 1.494056e-03 4.715320e-06 ; 3.829929e-01 1.183484e-01 0.017157 0.021142 0.001369 0.019596 True native_MD 7 25 56 CG1_TTR_3 CD2_TTR_7 1 1.383826e-03 4.020646e-06 ; 3.777482e-01 1.190713e-01 0.016497 0.016753 0.001369 0.019596 True native_MD 7 25 57 - CG1_TTR_3 C_TTR_7 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 25 58 + CG1_TTR_3 C_TTR_7 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 25 58 CG1_TTR_3 O_TTR_7 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000 0.000000 0.028619 0.046463 False fibril 7 25 59 - CG1_TTR_3 N_TTR_8 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 25 60 + CG1_TTR_3 N_TTR_8 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 25 60 CG1_TTR_3 CA_TTR_8 1 1.733575e-02 2.590762e-04 ; 4.963036e-01 2.900000e-01 1.000000 0.000000 0.028619 0.042764 False fibril 7 25 62 CG1_TTR_3 CB_TTR_8 1 3.768911e-03 1.224542e-05 ; 3.848513e-01 2.900000e-01 1.000000 0.000000 0.028619 0.046456 False fibril 7 25 63 CG1_TTR_3 OG_TTR_8 1 5.660623e-03 2.762298e-05 ; 4.118456e-01 2.900000e-01 1.000000 0.000000 0.028619 0.009238 False fibril 7 25 64 - CG1_TTR_3 C_TTR_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 25 65 + CG1_TTR_3 C_TTR_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 25 65 CG1_TTR_3 O_TTR_8 1 3.750572e-03 2.330296e-05 ; 4.287646e-01 1.509121e-01 0.105747 0.000000 0.028619 0.046463 False fibril 7 25 66 - CG1_TTR_3 N_TTR_9 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 25 67 + CG1_TTR_3 N_TTR_9 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 25 67 CG1_TTR_3 CA_TTR_9 1 1.303822e-03 5.168126e-06 ; 3.978192e-01 8.223254e-02 0.004915 0.009328 0.001369 0.004833 True native_MD 7 25 68 CG1_TTR_3 CB_TTR_9 1 1.125930e-03 3.658266e-06 ; 3.848522e-01 8.663381e-02 0.003599 0.007085 0.001369 0.006267 True native_MD 7 25 69 CG1_TTR_3 CG_TTR_9 1 1.530373e-03 5.732368e-06 ; 3.940846e-01 1.021411e-01 0.009939 0.008910 0.001369 0.006267 True native_MD 7 25 70 CG1_TTR_3 CD_TTR_9 1 1.445887e-03 4.344323e-06 ; 3.798667e-01 1.203059e-01 0.022545 0.008044 0.001369 0.006267 True native_MD 7 25 71 - CG1_TTR_3 C_TTR_9 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 25 72 + CG1_TTR_3 C_TTR_9 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 25 72 CG1_TTR_3 O_TTR_9 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000 0.000000 0.028619 0.046463 False fibril 7 25 73 - CG1_TTR_3 N_TTR_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 25 74 + CG1_TTR_3 N_TTR_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 25 74 CG1_TTR_3 CA_TTR_10 1 2.567795e-03 2.079624e-05 ; 4.481301e-01 7.926396e-02 0.002191 0.004752 0.001369 0.004833 True native_MD 7 25 76 CG1_TTR_3 CB_TTR_10 1 1.021504e-03 3.331347e-06 ; 3.850910e-01 7.830687e-02 0.002087 0.005646 0.001369 0.006268 True native_MD 7 25 77 CG1_TTR_3 CG_TTR_10 1 5.754142e-03 6.508997e-05 ; 4.737933e-01 1.271707e-01 0.072064 0.000000 0.028619 0.066792 False fibril 7 25 78 @@ -1462,15 +1462,15 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 CG1_TTR_3 CE2_TTR_10 1 2.194052e-03 4.149963e-06 ; 3.516680e-01 2.899945e-01 0.999911 0.000000 0.028619 0.066792 False fibril 7 25 82 CG1_TTR_3 CZ_TTR_10 1 2.035436e-03 3.571623e-06 ; 3.472973e-01 2.899942e-01 0.999906 0.000000 0.028619 0.066792 False fibril 7 25 83 CG1_TTR_3 OH_TTR_10 1 8.639042e-04 6.433884e-07 ; 3.010703e-01 2.900000e-01 1.000000 0.000000 0.028619 0.009238 False fibril 7 25 84 - CG1_TTR_3 C_TTR_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 25 85 + CG1_TTR_3 C_TTR_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 25 85 CG1_TTR_3 O_TTR_10 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000 0.000000 0.028619 0.046463 False fibril 7 25 86 - CG1_TTR_3 N_TTR_11 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 25 87 + CG1_TTR_3 N_TTR_11 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 25 87 CG1_TTR_3 CA_TTR_11 1 1.877086e-03 1.223679e-05 ; 4.322124e-01 7.198481e-02 0.001514 0.003212 0.001369 0.004833 True native_MD 7 25 89 CG1_TTR_3 CB_TTR_11 1 1.179305e-03 4.625657e-06 ; 3.971226e-01 7.516554e-02 0.001780 0.003702 0.001369 0.006268 True native_MD 7 25 90 - CG1_TTR_3 OG_TTR_11 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 25 91 - CG1_TTR_3 C_TTR_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 25 92 - CG1_TTR_3 O1_TTR_11 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 25 93 - CG1_TTR_3 O2_TTR_11 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 25 94 + CG1_TTR_3 OG_TTR_11 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 25 91 + CG1_TTR_3 C_TTR_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 25 92 + CG1_TTR_3 O1_TTR_11 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 25 93 + CG1_TTR_3 O2_TTR_11 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 25 94 CG2_TTR_3 CG2_TTR_3 1 6.016297e-03 3.120330e-05 ; 4.160497e-01 2.900000e-01 1.000000 0.000000 0.028619 0.104186 False fibril 0 26 26 CG2_TTR_3 CD_TTR_3 1 1.203433e-02 1.495302e-04 ; 4.812653e-01 2.421334e-01 0.461535 0.000000 0.028619 0.104186 False fibril 3 26 27 CG2_TTR_3 C_TTR_3 1 8.409571e-03 7.867223e-05 ; 4.590302e-01 2.247326e-01 0.348446 0.000000 0.028619 0.009238 False fibril 3 26 28 @@ -1479,41 +1479,41 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 CG2_TTR_3 CA_TTR_4 1 1.583356e-02 2.171268e-04 ; 4.892406e-01 2.886580e-01 0.978556 0.000000 0.028619 0.060347 False fibril 5 26 32 CG2_TTR_3 C_TTR_4 1 7.965554e-03 6.214506e-05 ; 4.453469e-01 2.552498e-01 0.570453 0.000000 0.028619 0.009238 False fibril 6 26 34 CG2_TTR_3 O_TTR_4 1 3.590653e-03 1.140413e-05 ; 3.833965e-01 2.826342e-01 0.887825 0.000000 0.028619 0.046463 False fibril 7 26 35 - CG2_TTR_3 N_TTR_5 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 26 36 + CG2_TTR_3 N_TTR_5 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 26 36 CG2_TTR_3 CA_TTR_5 1 1.932738e-03 8.524245e-06 ; 4.049616e-01 1.095545e-01 0.157480 0.220440 0.001369 0.014251 True native_MD 7 26 38 CG2_TTR_3 CB_TTR_5 1 1.129528e-03 2.350861e-06 ; 3.573181e-01 1.356772e-01 0.072888 0.150644 0.001369 0.079154 True native_MD 7 26 39 - CG2_TTR_3 C_TTR_5 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 26 40 + CG2_TTR_3 C_TTR_5 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 26 40 CG2_TTR_3 O_TTR_5 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 26 41 - CG2_TTR_3 N_TTR_6 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 26 42 + CG2_TTR_3 N_TTR_6 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 26 42 CG2_TTR_3 CA_TTR_6 1 2.219748e-03 1.267455e-05 ; 4.227706e-01 9.718847e-02 0.039948 0.104699 0.001369 0.014251 True native_MD 7 26 44 CG2_TTR_3 CB_TTR_6 1 1.116418e-03 2.883804e-06 ; 3.704161e-01 1.080507e-01 0.045294 0.094092 0.001369 0.019596 True native_MD 7 26 45 CG2_TTR_3 CG_TTR_6 1 1.529055e-03 5.248163e-06 ; 3.883864e-01 1.113728e-01 0.093267 0.119053 0.001369 0.014251 True native_MD 7 26 46 CG2_TTR_3 CD1_TTR_6 1 1.060953e-02 9.703634e-05 ; 4.573054e-01 2.900000e-01 1.000000 0.000000 0.028619 0.104186 False fibril 7 26 47 CG2_TTR_3 CD2_TTR_6 1 1.113355e-03 2.141908e-06 ; 3.526640e-01 1.446794e-01 0.060460 0.047603 0.001369 0.079154 True native_MD 7 26 48 - CG2_TTR_3 C_TTR_6 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 26 49 + CG2_TTR_3 C_TTR_6 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 26 49 CG2_TTR_3 O_TTR_6 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 26 50 - CG2_TTR_3 N_TTR_7 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 26 51 + CG2_TTR_3 N_TTR_7 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 26 51 CG2_TTR_3 CA_TTR_7 1 2.321237e-03 1.040642e-05 ; 4.060663e-01 1.294428e-01 0.045830 0.023396 0.001369 0.014251 True native_MD 7 26 53 CG2_TTR_3 CB_TTR_7 1 8.525719e-04 1.295687e-06 ; 3.390743e-01 1.402497e-01 0.048294 0.019282 0.001369 0.019596 True native_MD 7 26 54 CG2_TTR_3 CG_TTR_7 1 1.559234e-03 4.801779e-06 ; 3.814303e-01 1.265786e-01 0.063955 0.037753 0.001369 0.014251 True native_MD 7 26 55 CG2_TTR_3 CD1_TTR_7 1 9.994818e-04 1.802910e-06 ; 3.488991e-01 1.385211e-01 0.044240 0.027991 0.001369 0.079154 True native_MD 7 26 56 CG2_TTR_3 CD2_TTR_7 1 9.663631e-04 1.771047e-06 ; 3.498230e-01 1.318228e-01 0.031498 0.020333 0.001369 0.079154 True native_MD 7 26 57 - CG2_TTR_3 C_TTR_7 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 26 58 + CG2_TTR_3 C_TTR_7 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 26 58 CG2_TTR_3 O_TTR_7 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 26 59 - CG2_TTR_3 N_TTR_8 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 26 60 + CG2_TTR_3 N_TTR_8 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 26 60 CG2_TTR_3 CA_TTR_8 1 2.250620e-02 4.397484e-04 ; 5.189797e-01 2.879652e-01 0.967666 0.000000 0.028619 0.060347 False fibril 7 26 62 CG2_TTR_3 CB_TTR_8 1 4.745723e-03 1.941542e-05 ; 3.999209e-01 2.900000e-01 1.000000 0.000000 0.028619 0.066790 False fibril 7 26 63 CG2_TTR_3 OG_TTR_8 1 2.982226e-03 7.666959e-06 ; 3.701239e-01 2.900000e-01 1.000000 0.000000 0.028619 0.009238 False fibril 7 26 64 - CG2_TTR_3 C_TTR_8 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 26 65 + CG2_TTR_3 C_TTR_8 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 26 65 CG2_TTR_3 O_TTR_8 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 26 66 - CG2_TTR_3 N_TTR_9 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 26 67 + CG2_TTR_3 N_TTR_9 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 26 67 CG2_TTR_3 CA_TTR_9 1 1.380007e-03 4.674346e-06 ; 3.875311e-01 1.018548e-01 0.006889 0.012551 0.001369 0.014251 True native_MD 7 26 68 CG2_TTR_3 CB_TTR_9 1 9.621535e-04 2.581378e-06 ; 3.727645e-01 8.965554e-02 0.003711 0.009813 0.001369 0.019591 True native_MD 7 26 69 CG2_TTR_3 CG_TTR_9 1 1.482535e-03 5.147603e-06 ; 3.891348e-01 1.067443e-01 0.008828 0.012398 0.001369 0.019591 True native_MD 7 26 70 CG2_TTR_3 CD_TTR_9 1 1.281498e-03 3.192857e-06 ; 3.681942e-01 1.285868e-01 0.026730 0.011168 0.001369 0.019591 True native_MD 7 26 71 - CG2_TTR_3 C_TTR_9 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 26 72 + CG2_TTR_3 C_TTR_9 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 26 72 CG2_TTR_3 O_TTR_9 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 26 73 - CG2_TTR_3 N_TTR_10 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 26 74 + CG2_TTR_3 N_TTR_10 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 26 74 CG2_TTR_3 CA_TTR_10 1 1.149301e-03 3.282988e-06 ; 3.766800e-01 1.005862e-01 0.006460 0.007716 0.001369 0.014251 True native_MD 7 26 76 CG2_TTR_3 CB_TTR_10 1 1.100896e-03 3.092601e-06 ; 3.756323e-01 9.797354e-02 0.005658 0.008053 0.001369 0.019596 True native_MD 7 26 77 CG2_TTR_3 CG_TTR_10 1 8.060698e-04 1.651227e-06 ; 3.563737e-01 9.837358e-02 0.005774 0.004904 0.001369 0.079167 True native_MD 7 26 78 @@ -1522,58 +1522,58 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 CG2_TTR_3 CE1_TTR_10 1 3.828103e-04 3.668612e-07 ; 3.139928e-01 9.986321e-02 0.006227 0.007122 0.001369 0.079167 True native_MD 7 26 81 CG2_TTR_3 CE2_TTR_10 1 3.828103e-04 3.668612e-07 ; 3.139928e-01 9.986321e-02 0.006227 0.007122 0.001369 0.079167 True native_MD 7 26 82 CG2_TTR_3 CZ_TTR_10 1 4.216710e-04 4.502843e-07 ; 3.197070e-01 9.871898e-02 0.005876 0.006376 0.001369 0.079167 True native_MD 7 26 83 - CG2_TTR_3 OH_TTR_10 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 26 84 - CG2_TTR_3 C_TTR_10 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 26 85 + CG2_TTR_3 OH_TTR_10 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 26 84 + CG2_TTR_3 C_TTR_10 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 26 85 CG2_TTR_3 O_TTR_10 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 26 86 - CG2_TTR_3 N_TTR_11 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 26 87 + CG2_TTR_3 N_TTR_11 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 26 87 CG2_TTR_3 CA_TTR_11 1 1.389870e-03 4.838265e-06 ; 3.893014e-01 9.981565e-02 0.006212 0.006021 0.001369 0.014251 True native_MD 7 26 89 CG2_TTR_3 CB_TTR_11 1 7.433319e-04 1.396946e-06 ; 3.512903e-01 9.888400e-02 0.005926 0.005164 0.001369 0.019596 True native_MD 7 26 90 - CG2_TTR_3 OG_TTR_11 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 26 91 - CG2_TTR_3 C_TTR_11 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 26 92 + CG2_TTR_3 OG_TTR_11 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 26 91 + CG2_TTR_3 C_TTR_11 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 26 92 CG2_TTR_3 O1_TTR_11 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 26 93 CG2_TTR_3 O2_TTR_11 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 26 94 CD_TTR_3 CD_TTR_3 1 6.018926e-03 3.123057e-05 ; 4.160800e-01 2.900000e-01 1.000000 0.000000 0.028619 0.104186 False fibril 0 27 27 - CD_TTR_3 C_TTR_3 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 27 28 + CD_TTR_3 C_TTR_3 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 27 28 CD_TTR_3 O_TTR_3 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 27 29 - CD_TTR_3 N_TTR_4 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 27 30 + CD_TTR_3 N_TTR_4 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 27 30 CD_TTR_3 CB_TTR_4 1 1.704861e-03 5.517077e-06 ; 3.845947e-01 1.317070e-01 0.031313 0.021761 0.001369 0.079154 True native_MD 7 27 33 - CD_TTR_3 C_TTR_4 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 27 34 + CD_TTR_3 C_TTR_4 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 27 34 CD_TTR_3 O_TTR_4 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 27 35 - CD_TTR_3 N_TTR_5 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 27 36 + CD_TTR_3 N_TTR_5 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 27 36 CD_TTR_3 CA_TTR_5 1 1.835294e-03 9.136579e-06 ; 4.132184e-01 9.216531e-02 0.032509 0.109925 0.001369 0.014251 True native_MD 7 27 38 CD_TTR_3 CB_TTR_5 1 9.176775e-04 1.860566e-06 ; 3.557617e-01 1.131553e-01 0.013421 0.086926 0.001369 0.079154 True native_MD 7 27 39 - CD_TTR_3 C_TTR_5 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 27 40 + CD_TTR_3 C_TTR_5 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 27 40 CD_TTR_3 O_TTR_5 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 27 41 - CD_TTR_3 N_TTR_6 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 27 42 + CD_TTR_3 N_TTR_6 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 27 42 CD_TTR_3 CA_TTR_6 1 1.150229e-03 4.064465e-06 ; 3.902742e-01 8.137763e-02 0.010395 0.060747 0.001369 0.014251 True native_MD 7 27 44 CD_TTR_3 CB_TTR_6 1 1.183967e-03 3.519480e-06 ; 3.791897e-01 9.957278e-02 0.017162 0.054806 0.001369 0.019596 True native_MD 7 27 45 CD_TTR_3 CG_TTR_6 1 1.999115e-03 9.548811e-06 ; 4.103791e-01 1.046324e-01 0.049359 0.088684 0.001369 0.014251 True native_MD 7 27 46 CD_TTR_3 CD1_TTR_6 1 1.161112e-03 2.455720e-06 ; 3.582758e-01 1.372489e-01 0.041476 0.067054 0.001369 0.079154 True native_MD 7 27 47 CD_TTR_3 CD2_TTR_6 1 1.119292e-03 2.371727e-06 ; 3.583881e-01 1.320573e-01 0.031874 0.045326 0.001369 0.079154 True native_MD 7 27 48 - CD_TTR_3 C_TTR_6 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 27 49 + CD_TTR_3 C_TTR_6 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 27 49 CD_TTR_3 O_TTR_6 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 27 50 - CD_TTR_3 N_TTR_7 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 27 51 + CD_TTR_3 N_TTR_7 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 27 51 CD_TTR_3 CA_TTR_7 1 2.445072e-03 1.316352e-05 ; 4.186458e-01 1.135406e-01 0.015906 0.018190 0.001369 0.014251 True native_MD 7 27 53 CD_TTR_3 CB_TTR_7 1 9.966489e-04 2.057480e-06 ; 3.568334e-01 1.206949e-01 0.017913 0.014749 0.001369 0.019596 True native_MD 7 27 54 CD_TTR_3 CG_TTR_7 1 1.835710e-03 7.544039e-06 ; 4.002211e-01 1.116719e-01 0.025463 0.032013 0.001369 0.014251 True native_MD 7 27 55 CD_TTR_3 CD1_TTR_7 1 1.122262e-03 2.648430e-06 ; 3.648792e-01 1.188885e-01 0.016345 0.024311 0.001369 0.079154 True native_MD 7 27 56 CD_TTR_3 CD2_TTR_7 1 1.003485e-03 2.112611e-06 ; 3.580014e-01 1.191633e-01 0.016574 0.021628 0.001369 0.079154 True native_MD 7 27 57 - CD_TTR_3 C_TTR_7 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 27 58 + CD_TTR_3 C_TTR_7 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 27 58 CD_TTR_3 O_TTR_7 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 27 59 - CD_TTR_3 N_TTR_8 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 27 60 + CD_TTR_3 N_TTR_8 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 27 60 CD_TTR_3 CA_TTR_8 1 6.010646e-03 3.114677e-05 ; 4.159891e-01 2.899809e-01 0.999691 0.000000 0.028619 0.060347 False fibril 7 27 62 CD_TTR_3 CB_TTR_8 1 9.366429e-04 7.562930e-07 ; 3.051542e-01 2.900000e-01 1.000000 0.000000 0.028619 0.066790 False fibril 7 27 63 CD_TTR_3 OG_TTR_8 1 3.056330e-03 8.052717e-06 ; 3.716411e-01 2.900000e-01 1.000000 0.000000 0.028619 0.009238 False fibril 7 27 64 CD_TTR_3 C_TTR_8 1 4.516976e-03 1.758905e-05 ; 3.966424e-01 2.899968e-01 0.999949 0.000000 0.028619 0.009238 False fibril 7 27 65 CD_TTR_3 O_TTR_8 1 1.168326e-03 1.176711e-06 ; 3.166049e-01 2.900000e-01 1.000000 0.000000 0.028619 0.046463 False fibril 7 27 66 - CD_TTR_3 N_TTR_9 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 27 67 + CD_TTR_3 N_TTR_9 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 27 67 CD_TTR_3 CA_TTR_9 1 1.001622e-03 2.445856e-06 ; 3.669621e-01 1.025455e-01 0.007166 0.014314 0.001369 0.014251 True native_MD 7 27 68 CD_TTR_3 CB_TTR_9 1 1.147603e-03 3.216704e-06 ; 3.754942e-01 1.023557e-01 0.007067 0.010408 0.001369 0.019591 True native_MD 7 27 69 CD_TTR_3 CG_TTR_9 1 1.037261e-03 2.262073e-06 ; 3.601111e-01 1.189075e-01 0.016360 0.013652 0.001369 0.019591 True native_MD 7 27 70 CD_TTR_3 CD_TTR_9 1 9.080412e-04 1.625483e-06 ; 3.484545e-01 1.268145e-01 0.024432 0.011017 0.001369 0.019591 True native_MD 7 27 71 - CD_TTR_3 C_TTR_9 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 27 72 + CD_TTR_3 C_TTR_9 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 27 72 CD_TTR_3 O_TTR_9 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 27 73 - CD_TTR_3 N_TTR_10 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 27 74 + CD_TTR_3 N_TTR_10 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 27 74 CD_TTR_3 CA_TTR_10 1 1.287143e-03 5.086471e-06 ; 3.976170e-01 8.142864e-02 0.002445 0.008871 0.001369 0.014251 True native_MD 7 27 76 CD_TTR_3 CB_TTR_10 1 1.029777e-02 1.560519e-04 ; 4.974556e-01 1.698860e-01 0.143673 0.000000 0.028619 0.066790 False fibril 7 27 77 CD_TTR_3 CG_TTR_10 1 6.074920e-03 3.181626e-05 ; 4.167268e-01 2.899827e-01 0.999721 0.000000 0.028619 0.104191 False fibril 7 27 78 @@ -1583,13 +1583,13 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 CD_TTR_3 CE2_TTR_10 1 8.868917e-04 6.781153e-07 ; 3.023933e-01 2.899864e-01 0.999780 0.000000 0.028619 0.104191 False fibril 7 27 82 CD_TTR_3 CZ_TTR_10 1 1.570250e-03 2.125637e-06 ; 3.325983e-01 2.899936e-01 0.999897 0.000000 0.028619 0.104191 False fibril 7 27 83 CD_TTR_3 OH_TTR_10 1 4.319666e-04 1.608579e-07 ; 2.682247e-01 2.900000e-01 1.000000 0.000000 0.028619 0.009238 False fibril 7 27 84 - CD_TTR_3 C_TTR_10 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 27 85 + CD_TTR_3 C_TTR_10 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 27 85 CD_TTR_3 O_TTR_10 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 27 86 - CD_TTR_3 N_TTR_11 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 27 87 + CD_TTR_3 N_TTR_11 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 27 87 CD_TTR_3 CA_TTR_11 1 1.421401e-03 6.373086e-06 ; 4.060743e-01 7.925444e-02 0.002190 0.004791 0.001369 0.014251 True native_MD 7 27 89 CD_TTR_3 CB_TTR_11 1 8.726801e-04 2.419929e-06 ; 3.748216e-01 7.867695e-02 0.002126 0.005975 0.001369 0.019596 True native_MD 7 27 90 - CD_TTR_3 OG_TTR_11 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 27 91 - CD_TTR_3 C_TTR_11 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 27 92 + CD_TTR_3 OG_TTR_11 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 27 91 + CD_TTR_3 C_TTR_11 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 27 92 CD_TTR_3 O1_TTR_11 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 27 93 CD_TTR_3 O2_TTR_11 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 27 94 C_TTR_3 C_TTR_3 1 6.019080e-03 3.123218e-05 ; 4.160818e-01 2.900000e-01 1.000000 0.000000 0.028619 0.064180 False fibril 0 28 28 @@ -1599,31 +1599,31 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 C_TTR_3 CB_TTR_4 1 4.829170e-03 2.010421e-05 ; 4.010844e-01 2.900000e-01 1.000000 0.000000 0.028619 0.009238 False fibril 3 28 33 C_TTR_3 C_TTR_4 1 5.124984e-03 2.264380e-05 ; 4.050818e-01 2.899852e-01 0.999761 0.000000 0.028619 0.064180 False fibril 3 28 34 C_TTR_3 O_TTR_4 1 1.648121e-03 2.341664e-06 ; 3.352915e-01 2.899972e-01 0.999955 0.000000 0.028619 0.064181 False fibril 4 28 35 - C_TTR_3 CB_TTR_5 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 28 39 + C_TTR_3 CB_TTR_5 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 28 39 C_TTR_3 O_TTR_5 1 5.840084e-04 7.917254e-07 ; 3.326794e-01 1.076970e-01 0.035440 0.066141 0.001369 0.017292 True native_MD 7 28 41 C_TTR_3 N_TTR_6 1 7.082072e-04 1.307595e-06 ; 3.502559e-01 9.589309e-02 0.053950 0.183212 0.001369 0.017291 True native_MD 7 28 42 C_TTR_3 CA_TTR_6 1 2.260125e-03 1.511824e-05 ; 4.340717e-01 8.447023e-02 0.066329 0.177892 0.001369 0.007651 True native_MD 7 28 44 - C_TTR_3 CB_TTR_6 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 28 45 - C_TTR_3 CG_TTR_6 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 28 46 - C_TTR_3 CD1_TTR_6 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 28 47 - C_TTR_3 CD2_TTR_6 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 28 48 + C_TTR_3 CB_TTR_6 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 28 45 + C_TTR_3 CG_TTR_6 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 28 46 + C_TTR_3 CD1_TTR_6 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 28 47 + C_TTR_3 CD2_TTR_6 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 28 48 C_TTR_3 C_TTR_6 1 1.882035e-03 9.853391e-06 ; 4.167027e-01 8.986893e-02 0.003751 0.015182 0.001369 0.017291 True native_MD 7 28 49 C_TTR_3 O_TTR_6 1 5.788858e-04 1.096455e-06 ; 3.517491e-01 7.640734e-02 0.003265 0.029791 0.001369 0.017292 True native_MD 7 28 50 C_TTR_3 N_TTR_7 1 8.550619e-04 2.242088e-06 ; 3.713435e-01 8.152345e-02 0.002457 0.014266 0.001369 0.017291 True native_MD 7 28 51 C_TTR_3 CA_TTR_7 1 3.010098e-03 3.089128e-05 ; 4.661681e-01 7.332724e-02 0.004870 0.022984 0.001369 0.007651 True native_MD 7 28 53 - C_TTR_3 CB_TTR_7 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 28 54 - C_TTR_3 CG_TTR_7 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 28 55 - C_TTR_3 CD1_TTR_7 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 28 56 - C_TTR_3 CD2_TTR_7 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 28 57 + C_TTR_3 CB_TTR_7 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 28 54 + C_TTR_3 CG_TTR_7 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 28 55 + C_TTR_3 CD1_TTR_7 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 28 56 + C_TTR_3 CD2_TTR_7 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 28 57 C_TTR_3 N_TTR_8 1 1.582014e-03 7.297497e-06 ; 4.080004e-01 8.574059e-02 0.003043 0.000244 0.001369 0.017291 True native_MD 7 28 60 C_TTR_3 CA_TTR_8 1 4.316404e-03 3.681548e-05 ; 4.520135e-01 1.265184e-01 0.024068 0.001801 0.001369 0.007651 True native_MD 7 28 62 - C_TTR_3 CB_TTR_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 28 63 + C_TTR_3 CB_TTR_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 28 63 C_TTR_3 OG_TTR_8 1 4.508710e-04 4.614861e-07 ; 3.174566e-01 1.101250e-01 0.010480 0.001883 0.001369 0.017292 True native_MD 7 28 64 C_TTR_3 CB_TTR_9 1 6.201356e-03 3.315243e-05 ; 4.181558e-01 2.900000e-01 1.000000 0.000000 0.028619 0.009238 False fibril 7 28 69 C_TTR_3 CG_TTR_9 1 4.151055e-03 1.485505e-05 ; 3.910983e-01 2.899899e-01 0.999837 0.000000 0.028619 0.009238 False fibril 7 28 70 C_TTR_3 CD_TTR_9 1 7.838152e-03 7.647421e-05 ; 4.622571e-01 2.008410e-01 0.236881 0.000000 0.028619 0.009238 False fibril 7 28 71 C_TTR_3 CA_TTR_10 1 9.832057e-04 2.659608e-06 ; 3.732750e-01 9.086803e-02 0.003946 0.000624 0.001369 0.007651 True native_MD 7 28 76 - C_TTR_3 CB_TTR_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 28 77 + C_TTR_3 CB_TTR_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 28 77 C_TTR_3 CG_TTR_10 1 1.187943e-03 4.535621e-06 ; 3.953425e-01 7.778470e-02 0.002032 0.000558 0.001369 0.035465 True native_MD 7 28 78 C_TTR_3 CD1_TTR_10 1 7.997062e-04 1.802942e-06 ; 3.621111e-01 8.867869e-02 0.003531 0.001286 0.001369 0.035465 True native_MD 7 28 79 C_TTR_3 CD2_TTR_10 1 7.997062e-04 1.802942e-06 ; 3.621111e-01 8.867869e-02 0.003531 0.001286 0.001369 0.035465 True native_MD 7 28 80 @@ -1633,7 +1633,7 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 C_TTR_3 C_TTR_10 1 1.399042e-03 6.345435e-06 ; 4.068538e-01 7.711526e-02 0.001964 0.000000 0.001369 0.017291 True native_MD 7 28 85 C_TTR_3 N_TTR_11 1 5.954480e-04 1.088459e-06 ; 3.496724e-01 8.143587e-02 0.002446 0.000000 0.001369 0.017291 True native_MD 7 28 87 C_TTR_3 CA_TTR_11 1 2.273273e-03 1.547442e-05 ; 4.353385e-01 8.348893e-02 0.002714 0.000613 0.001369 0.007651 True native_MD 7 28 89 - C_TTR_3 CB_TTR_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 28 90 + C_TTR_3 CB_TTR_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 28 90 C_TTR_3 OG_TTR_11 1 4.578574e-04 7.023761e-07 ; 3.396044e-01 7.461579e-02 0.001731 0.000808 0.001369 0.017292 True native_MD 7 28 91 O_TTR_3 O_TTR_3 1 5.528681e-03 2.779387e-05 ; 4.138928e-01 2.749375e-01 0.784032 0.000000 0.028619 0.009238 False fibril 0 29 29 O_TTR_3 N_TTR_4 1 2.067426e-04 3.684698e-08 ; 2.372258e-01 2.900000e-01 1.000000 0.000000 0.028619 0.064181 False fibril 2 29 30 @@ -1657,7 +1657,7 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 O_TTR_3 O_TTR_6 1 0.000000e+00 1.605376e-06 ; 2.930621e-01 -1.605376e-06 0.024372 0.094623 0.001369 0.000039 True native_MD 7 29 50 O_TTR_3 N_TTR_7 1 1.294254e-04 4.813945e-08 ; 2.681721e-01 8.699175e-02 0.011590 0.061822 0.001369 0.017292 True native_MD 7 29 51 O_TTR_3 H_TTR_7 1 3.983757e-06 4.598840e-11 ; 1.503347e-01 8.627348e-02 0.003126 0.024852 0.001369 0.079189 True native_MD 7 29 52 - O_TTR_3 CA_TTR_7 1 0.000000e+00 4.319762e-06 ; 3.182609e-01 -4.319762e-06 0.004904 0.044935 0.001369 0.007651 True native_MD 7 29 53 + O_TTR_3 CA_TTR_7 1 0.000000e+00 4.319796e-06 ; 3.182611e-01 -4.319796e-06 0.004904 0.044935 0.001369 0.007651 True native_MD 7 29 53 O_TTR_3 CB_TTR_7 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000 0.000000 0.028619 0.046463 False fibril 7 29 54 O_TTR_3 CG_TTR_7 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000 0.000000 0.028619 0.046463 False fibril 7 29 55 O_TTR_3 CD1_TTR_7 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 29 56 @@ -1694,32 +1694,32 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 N_TTR_4 C_TTR_4 1 4.787596e-03 2.553009e-05 ; 4.179803e-01 2.244516e-01 0.346868 0.000000 0.028619 0.064181 False fibril 2 30 34 N_TTR_4 O_TTR_4 1 1.581599e-03 2.156428e-06 ; 3.329966e-01 2.900000e-01 1.000000 0.000000 0.028619 0.064181 False fibril 3 30 35 N_TTR_4 N_TTR_5 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 3 30 36 - N_TTR_4 CB_TTR_5 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 30 39 + N_TTR_4 CB_TTR_5 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 30 39 N_TTR_4 N_TTR_6 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 6 30 42 N_TTR_4 CA_TTR_6 1 3.397920e-03 3.647589e-05 ; 4.696765e-01 7.913350e-02 0.009829 0.034556 0.001369 0.007651 True native_MD 7 30 44 - N_TTR_4 CB_TTR_6 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 30 45 - N_TTR_4 CG_TTR_6 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 30 46 - N_TTR_4 CD1_TTR_6 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 30 47 - N_TTR_4 CD2_TTR_6 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 30 48 + N_TTR_4 CB_TTR_6 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 30 45 + N_TTR_4 CG_TTR_6 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 30 46 + N_TTR_4 CD1_TTR_6 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 30 47 + N_TTR_4 CD2_TTR_6 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 30 48 N_TTR_4 O_TTR_6 1 8.793398e-04 2.510166e-06 ; 3.766381e-01 7.701070e-02 0.001954 0.015372 0.001369 0.017292 True native_MD 7 30 50 N_TTR_4 N_TTR_7 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 7 30 51 N_TTR_4 CA_TTR_7 1 4.503644e-03 4.377009e-05 ; 4.619577e-01 1.158486e-01 0.014009 0.003861 0.001369 0.007651 True native_MD 7 30 53 - N_TTR_4 CB_TTR_7 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 30 54 - N_TTR_4 CG_TTR_7 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 30 55 - N_TTR_4 CD1_TTR_7 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 30 56 - N_TTR_4 CD2_TTR_7 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 30 57 + N_TTR_4 CB_TTR_7 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 30 54 + N_TTR_4 CG_TTR_7 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 30 55 + N_TTR_4 CD1_TTR_7 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 30 56 + N_TTR_4 CD2_TTR_7 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 30 57 N_TTR_4 N_TTR_8 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 7 30 60 N_TTR_4 CA_TTR_8 1 4.057684e-03 4.059519e-05 ; 4.641939e-01 1.013962e-01 0.006731 0.000974 0.001369 0.007651 True native_MD 7 30 62 - N_TTR_4 CB_TTR_8 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 30 63 + N_TTR_4 CB_TTR_8 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 30 63 N_TTR_4 OG_TTR_8 1 3.940125e-04 4.361963e-07 ; 3.216340e-01 8.897705e-02 0.003585 0.001459 0.001369 0.017292 True native_MD 7 30 64 N_TTR_4 N_TTR_9 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 7 30 67 N_TTR_4 CB_TTR_9 1 5.551252e-03 2.656786e-05 ; 4.105137e-01 2.899782e-01 0.999647 0.000000 0.028619 0.009238 False fibril 7 30 69 N_TTR_4 CG_TTR_9 1 5.832977e-03 2.933158e-05 ; 4.139115e-01 2.899914e-01 0.999860 0.000000 0.028619 0.009238 False fibril 7 30 70 - N_TTR_4 CD_TTR_9 1 0.000000e+00 3.232756e-06 ; 2.880058e-06 -3.232756e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 30 71 + N_TTR_4 CD_TTR_9 1 0.000000e+00 3.232715e-06 ; 2.880021e-06 -3.232715e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 30 71 N_TTR_4 O_TTR_9 1 7.386654e-04 1.841885e-06 ; 3.682441e-01 7.405820e-02 0.001682 0.000091 0.001369 0.017292 True native_MD 7 30 73 N_TTR_4 N_TTR_10 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 7 30 74 N_TTR_4 CA_TTR_10 1 6.917505e-04 1.350151e-06 ; 3.535131e-01 8.860468e-02 0.003518 0.000142 0.001369 0.007651 True native_MD 7 30 76 - N_TTR_4 CB_TTR_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 30 77 + N_TTR_4 CB_TTR_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 30 77 N_TTR_4 CG_TTR_10 1 8.536955e-04 2.310601e-06 ; 3.733106e-01 7.885349e-02 0.002146 0.000341 0.001369 0.035466 True native_MD 7 30 78 N_TTR_4 CD1_TTR_10 1 4.536302e-04 5.855407e-07 ; 3.299711e-01 8.785911e-02 0.003388 0.001015 0.001369 0.035466 True native_MD 7 30 79 N_TTR_4 CD2_TTR_10 1 4.536302e-04 5.855407e-07 ; 3.299711e-01 8.785911e-02 0.003388 0.001015 0.001369 0.035466 True native_MD 7 30 80 @@ -1727,7 +1727,7 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 N_TTR_4 CE2_TTR_10 1 4.292620e-04 5.044618e-07 ; 3.248511e-01 9.131806e-02 0.004037 0.001622 0.001369 0.035466 True native_MD 7 30 82 N_TTR_4 CZ_TTR_10 1 5.715492e-04 1.006094e-06 ; 3.474808e-01 8.117248e-02 0.002413 0.001271 0.001369 0.035466 True native_MD 7 30 83 N_TTR_4 N_TTR_11 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 7 30 87 - N_TTR_4 CB_TTR_11 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 30 90 + N_TTR_4 CB_TTR_11 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 30 90 H_TTR_4 H_TTR_4 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000 1.000000 1.000000 1.000000 False mg 7 31 31 H_TTR_4 O_TTR_4 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 31 35 H_TTR_4 H_TTR_5 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000 1.000000 1.000000 1.000000 False mg 7 31 37 @@ -1767,7 +1767,7 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 CA_TTR_4 CD1_TTR_7 1 5.602028e-03 2.705407e-05 ; 4.111319e-01 2.900000e-01 1.000000 0.000000 0.028619 0.060347 False fibril 7 32 56 CA_TTR_4 CD2_TTR_7 1 2.128299e-02 3.905579e-04 ; 5.135808e-01 2.899477e-01 0.999156 0.000000 0.028619 0.060347 False fibril 7 32 57 CA_TTR_4 C_TTR_7 1 4.000296e-03 4.448127e-05 ; 4.724409e-01 8.993881e-02 0.017340 0.035242 0.001369 0.007651 True native_MD 7 32 58 - CA_TTR_4 O_TTR_7 1 0.000000e+00 4.281969e-06 ; 3.180280e-01 -4.281969e-06 0.003562 0.034493 0.001369 0.007651 True native_MD 7 32 59 + CA_TTR_4 O_TTR_7 1 0.000000e+00 4.282003e-06 ; 3.180282e-01 -4.282003e-06 0.003562 0.034493 0.001369 0.007651 True native_MD 7 32 59 CA_TTR_4 N_TTR_8 1 3.870139e-03 3.341450e-05 ; 4.529338e-01 1.120619e-01 0.030630 0.020270 0.001369 0.007651 True native_MD 7 32 60 CA_TTR_4 CA_TTR_8 1 7.098808e-03 1.373505e-04 ; 5.181324e-01 9.172352e-02 0.046879 0.042954 0.001369 0.003776 True native_MD 7 32 62 CA_TTR_4 CB_TTR_8 1 3.925293e-03 3.758808e-05 ; 4.608183e-01 1.024788e-01 0.054441 0.036999 0.001369 0.004833 True native_MD 7 32 63 @@ -1790,7 +1790,7 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 CA_TTR_4 CE1_TTR_10 1 6.808797e-04 1.195950e-06 ; 3.473552e-01 9.690981e-02 0.005361 0.010811 0.001369 0.014253 True native_MD 7 32 81 CA_TTR_4 CE2_TTR_10 1 6.808797e-04 1.195950e-06 ; 3.473552e-01 9.690981e-02 0.005361 0.010811 0.001369 0.014253 True native_MD 7 32 82 CA_TTR_4 CZ_TTR_10 1 1.074862e-03 3.089924e-06 ; 3.770791e-01 9.347554e-02 0.005123 0.016212 0.001369 0.014253 True native_MD 7 32 83 - CA_TTR_4 OH_TTR_10 1 0.000000e+00 5.825561e-06 ; 3.262920e-01 -5.825561e-06 0.002522 0.018182 0.001369 0.007651 True native_MD 7 32 84 + CA_TTR_4 OH_TTR_10 1 0.000000e+00 5.825541e-06 ; 3.262919e-01 -5.825541e-06 0.002522 0.018182 0.001369 0.007651 True native_MD 7 32 84 CA_TTR_4 C_TTR_10 1 3.009295e-03 2.612187e-05 ; 4.533392e-01 8.666932e-02 0.003189 0.000508 0.001369 0.007651 True native_MD 7 32 85 CA_TTR_4 N_TTR_11 1 2.403055e-03 1.803888e-05 ; 4.424942e-01 8.003096e-02 0.002278 0.000080 0.001369 0.007651 True native_MD 7 32 87 CA_TTR_4 CA_TTR_11 1 5.837555e-03 7.681295e-05 ; 4.858855e-01 1.109092e-01 0.012122 0.004198 0.001369 0.003776 True native_MD 7 32 89 @@ -1802,18 +1802,18 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 CB_TTR_4 CB_TTR_4 1 6.035902e-03 3.140728e-05 ; 4.162760e-01 2.899973e-01 0.999957 0.000000 0.028619 0.104186 False fibril 0 33 33 CB_TTR_4 C_TTR_4 1 8.650483e-03 6.719275e-05 ; 4.450208e-01 2.784186e-01 0.829381 0.000000 0.028619 0.009238 False fibril 2 33 34 CB_TTR_4 O_TTR_4 1 2.424827e-03 5.069051e-06 ; 3.575809e-01 2.899845e-01 0.999750 0.000000 0.028619 0.046463 False fibril 3 33 35 - CB_TTR_4 N_TTR_5 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 33 36 - CB_TTR_4 C_TTR_5 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 33 40 + CB_TTR_4 N_TTR_5 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 33 36 + CB_TTR_4 C_TTR_5 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 33 40 CB_TTR_4 O_TTR_5 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 33 41 - CB_TTR_4 N_TTR_6 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 33 42 + CB_TTR_4 N_TTR_6 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 33 42 CB_TTR_4 CA_TTR_6 1 3.866301e-03 3.456823e-05 ; 4.555789e-01 1.081071e-01 0.142982 0.215392 0.001369 0.014251 True native_MD 7 33 44 CB_TTR_4 CB_TTR_6 1 2.276135e-03 1.141133e-05 ; 4.137040e-01 1.135011e-01 0.086335 0.136032 0.001369 0.019596 True native_MD 7 33 45 CB_TTR_4 CG_TTR_6 1 1.252161e-03 3.571127e-06 ; 3.765802e-01 1.097628e-01 0.090270 0.125032 0.001369 0.014251 True native_MD 7 33 46 CB_TTR_4 CD1_TTR_6 1 1.102942e-03 2.166385e-06 ; 3.538864e-01 1.403815e-01 0.048618 0.061813 0.001369 0.079154 True native_MD 7 33 47 CB_TTR_4 CD2_TTR_6 1 1.055158e-03 1.953634e-06 ; 3.504190e-01 1.424727e-01 0.054058 0.029182 0.001369 0.079154 True native_MD 7 33 48 - CB_TTR_4 C_TTR_6 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 33 49 + CB_TTR_4 C_TTR_6 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 33 49 CB_TTR_4 O_TTR_6 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 33 50 - CB_TTR_4 N_TTR_7 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 33 51 + CB_TTR_4 N_TTR_7 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 33 51 CB_TTR_4 CA_TTR_7 1 7.031598e-03 4.262382e-05 ; 4.270051e-01 2.899985e-01 0.999976 0.000000 0.028619 0.060347 False fibril 7 33 53 CB_TTR_4 CB_TTR_7 1 1.537380e-03 2.037544e-06 ; 3.314268e-01 2.899984e-01 0.999974 0.000000 0.028619 0.066790 False fibril 7 33 54 CB_TTR_4 CG_TTR_7 1 5.885323e-03 2.985951e-05 ; 4.145263e-01 2.900000e-01 1.000000 0.000000 0.028619 0.060347 False fibril 7 33 55 @@ -1821,20 +1821,20 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 CB_TTR_4 CD2_TTR_7 1 1.119016e-02 1.079534e-04 ; 4.613884e-01 2.899853e-01 0.999763 0.000000 0.028619 0.104186 False fibril 7 33 57 CB_TTR_4 C_TTR_7 1 8.149711e-03 5.725886e-05 ; 4.376397e-01 2.899891e-01 0.999824 0.000000 0.028619 0.009238 False fibril 7 33 58 CB_TTR_4 O_TTR_7 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 33 59 - CB_TTR_4 N_TTR_8 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 33 60 + CB_TTR_4 N_TTR_8 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 33 60 CB_TTR_4 CA_TTR_8 1 2.268519e-02 4.636453e-04 ; 5.228863e-01 2.774847e-01 0.816963 0.000000 0.028619 0.060347 False fibril 7 33 62 CB_TTR_4 CB_TTR_8 1 9.688144e-04 2.003916e-06 ; 3.569493e-01 1.170959e-01 0.017102 0.022455 0.001369 0.019596 True native_MD 7 33 63 - CB_TTR_4 OG_TTR_8 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 33 64 - CB_TTR_4 C_TTR_8 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 33 65 + CB_TTR_4 OG_TTR_8 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 33 64 + CB_TTR_4 C_TTR_8 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 33 65 CB_TTR_4 O_TTR_8 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 33 66 CB_TTR_4 N_TTR_9 1 5.513898e-03 2.620954e-05 ; 4.100468e-01 2.900000e-01 1.000000 0.000000 0.028619 0.009238 False fibril 7 33 67 CB_TTR_4 CA_TTR_9 1 7.538364e-03 4.899231e-05 ; 4.319914e-01 2.899788e-01 0.999657 0.000000 0.028619 0.060347 False fibril 7 33 68 CB_TTR_4 CB_TTR_9 1 2.231882e-03 4.294220e-06 ; 3.526703e-01 2.900000e-01 1.000000 0.000000 0.028619 0.066784 False fibril 7 33 69 CB_TTR_4 CG_TTR_9 1 1.367436e-03 1.611966e-06 ; 3.250186e-01 2.900000e-01 1.000000 0.000000 0.028619 0.066784 False fibril 7 33 70 CB_TTR_4 CD_TTR_9 1 1.608162e-03 2.229470e-06 ; 3.339222e-01 2.900000e-01 1.000000 0.000000 0.028619 0.066784 False fibril 7 33 71 - CB_TTR_4 C_TTR_9 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 33 72 + CB_TTR_4 C_TTR_9 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 33 72 CB_TTR_4 O_TTR_9 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 33 73 - CB_TTR_4 N_TTR_10 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 33 74 + CB_TTR_4 N_TTR_10 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 33 74 CB_TTR_4 CA_TTR_10 1 8.890172e-04 1.977227e-06 ; 3.612915e-01 9.993179e-02 0.006249 0.005340 0.001369 0.014251 True native_MD 7 33 76 CB_TTR_4 CB_TTR_10 1 9.787157e-04 2.316416e-06 ; 3.650564e-01 1.033800e-01 0.007443 0.006191 0.001369 0.019596 True native_MD 7 33 77 CB_TTR_4 CG_TTR_10 1 7.605687e-04 1.424929e-06 ; 3.511094e-01 1.014901e-01 0.006763 0.004868 0.001369 0.079167 True native_MD 7 33 78 @@ -1843,26 +1843,26 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 CB_TTR_4 CE1_TTR_10 1 5.741488e-04 8.509257e-07 ; 3.376586e-01 9.684949e-02 0.005345 0.011562 0.001369 0.079167 True native_MD 7 33 81 CB_TTR_4 CE2_TTR_10 1 5.741488e-04 8.509257e-07 ; 3.376586e-01 9.684949e-02 0.005345 0.011562 0.001369 0.079167 True native_MD 7 33 82 CB_TTR_4 CZ_TTR_10 1 6.024579e-04 9.693295e-07 ; 3.423136e-01 9.360994e-02 0.004535 0.012165 0.001369 0.079167 True native_MD 7 33 83 - CB_TTR_4 OH_TTR_10 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 33 84 - CB_TTR_4 C_TTR_10 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 33 85 + CB_TTR_4 OH_TTR_10 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 33 84 + CB_TTR_4 C_TTR_10 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 33 85 CB_TTR_4 O_TTR_10 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 33 86 - CB_TTR_4 N_TTR_11 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 33 87 + CB_TTR_4 N_TTR_11 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 33 87 CB_TTR_4 CA_TTR_11 1 1.571753e-03 5.402067e-06 ; 3.884746e-01 1.143269e-01 0.012969 0.003553 0.001369 0.014251 True native_MD 7 33 89 CB_TTR_4 CB_TTR_11 1 8.316208e-04 1.490853e-06 ; 3.485392e-01 1.159727e-01 0.014098 0.003684 0.001369 0.019596 True native_MD 7 33 90 - CB_TTR_4 OG_TTR_11 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 33 91 - CB_TTR_4 C_TTR_11 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 33 92 + CB_TTR_4 OG_TTR_11 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 33 91 + CB_TTR_4 C_TTR_11 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 33 92 CB_TTR_4 O1_TTR_11 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 33 93 CB_TTR_4 O2_TTR_11 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 33 94 C_TTR_4 C_TTR_4 1 6.012511e-03 3.116404e-05 ; 4.160060e-01 2.900000e-01 1.000000 0.000000 0.028619 0.064180 False fibril 0 34 34 C_TTR_4 O_TTR_4 1 9.585268e-04 7.920463e-07 ; 3.063311e-01 2.900000e-01 1.000000 0.000000 0.028619 0.064181 False fibril 1 34 35 C_TTR_4 N_TTR_5 1 2.651374e-03 6.060159e-06 ; 3.629406e-01 2.900000e-01 1.000000 0.000000 0.028619 0.064181 False fibril 1 34 36 C_TTR_4 CA_TTR_5 1 1.192850e-02 1.226697e-04 ; 4.663285e-01 2.899841e-01 0.999743 0.000000 0.028619 0.049502 False fibril 2 34 38 - C_TTR_4 CB_TTR_5 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 34 39 + C_TTR_4 CB_TTR_5 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 34 39 C_TTR_4 O_TTR_5 1 4.010312e-03 1.414142e-05 ; 3.901388e-01 2.843173e-01 0.912294 0.000000 0.028619 0.064181 False fibril 4 34 41 - C_TTR_4 CB_TTR_6 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 34 45 - C_TTR_4 CG_TTR_6 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 34 46 - C_TTR_4 CD1_TTR_6 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 34 47 - C_TTR_4 CD2_TTR_6 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 34 48 + C_TTR_4 CB_TTR_6 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 34 45 + C_TTR_4 CG_TTR_6 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 34 46 + C_TTR_4 CD1_TTR_6 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 34 47 + C_TTR_4 CD2_TTR_6 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 34 48 C_TTR_4 O_TTR_6 1 5.043119e-04 6.912202e-07 ; 3.332879e-01 9.198608e-02 0.038749 0.160435 0.001369 0.017292 True native_MD 7 34 50 C_TTR_4 N_TTR_7 1 6.642731e-04 1.058233e-06 ; 3.417479e-01 1.042442e-01 0.078361 0.174229 0.001369 0.017291 True native_MD 7 34 51 C_TTR_4 CA_TTR_7 1 1.864874e-03 9.817020e-06 ; 4.170823e-01 8.856439e-02 0.082440 0.179645 0.001369 0.007651 True native_MD 7 34 53 @@ -1874,18 +1874,18 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 C_TTR_4 O_TTR_7 1 2.541465e-04 2.084673e-07 ; 3.059560e-01 7.745870e-02 0.004182 0.036173 0.001369 0.017292 True native_MD 7 34 59 C_TTR_4 N_TTR_8 1 1.105562e-03 2.408916e-06 ; 3.600585e-01 1.268484e-01 0.040573 0.028665 0.001369 0.017291 True native_MD 7 34 60 C_TTR_4 CA_TTR_8 1 2.630648e-03 1.653551e-05 ; 4.295949e-01 1.046280e-01 0.043481 0.041951 0.001369 0.007651 True native_MD 7 34 62 - C_TTR_4 CB_TTR_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 34 63 + C_TTR_4 CB_TTR_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 34 63 C_TTR_4 OG_TTR_8 1 4.774730e-04 4.931003e-07 ; 3.179297e-01 1.155852e-01 0.016046 0.020072 0.001369 0.017292 True native_MD 7 34 64 C_TTR_4 C_TTR_8 1 1.671311e-03 8.679222e-06 ; 4.161379e-01 8.045880e-02 0.002328 0.004326 0.001369 0.017291 True native_MD 7 34 65 C_TTR_4 O_TTR_8 1 4.284237e-04 5.142420e-07 ; 3.259985e-01 8.923177e-02 0.003632 0.008763 0.001369 0.017292 True native_MD 7 34 66 C_TTR_4 CA_TTR_9 1 2.453566e-03 2.009808e-05 ; 4.489791e-01 7.488262e-02 0.001754 0.004898 0.001369 0.007651 True native_MD 7 34 68 - C_TTR_4 CB_TTR_9 1 0.000000e+00 5.570103e-06 ; 4.962397e-06 -5.570103e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 34 69 - C_TTR_4 CG_TTR_9 1 0.000000e+00 5.570103e-06 ; 4.962397e-06 -5.570103e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 34 70 - C_TTR_4 CD_TTR_9 1 0.000000e+00 5.570103e-06 ; 4.962397e-06 -5.570103e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 34 71 + C_TTR_4 CB_TTR_9 1 0.000000e+00 5.570011e-06 ; 4.962315e-06 -5.570011e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 34 69 + C_TTR_4 CG_TTR_9 1 0.000000e+00 5.570011e-06 ; 4.962315e-06 -5.570011e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 34 70 + C_TTR_4 CD_TTR_9 1 0.000000e+00 5.570011e-06 ; 4.962315e-06 -5.570011e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 34 71 C_TTR_4 CA_TTR_10 1 3.600294e-03 4.056039e-05 ; 4.734717e-01 7.989396e-02 0.002262 0.000471 0.001369 0.007651 True native_MD 7 34 76 - C_TTR_4 CB_TTR_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 34 77 + C_TTR_4 CB_TTR_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 34 77 C_TTR_4 CA_TTR_11 1 3.159909e-03 2.601803e-05 ; 4.493657e-01 9.594332e-02 0.005105 0.000589 0.001369 0.007651 True native_MD 7 34 89 - C_TTR_4 CB_TTR_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 34 90 + C_TTR_4 CB_TTR_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 34 90 C_TTR_4 OG_TTR_11 1 4.692114e-04 5.163117e-07 ; 3.213097e-01 1.066020e-01 0.008765 0.000744 0.001369 0.017292 True native_MD 7 34 91 O_TTR_4 O_TTR_4 1 5.532487e-03 2.780366e-05 ; 4.138697e-01 2.752192e-01 0.787607 0.000000 0.028619 0.009238 False fibril 0 35 35 O_TTR_4 N_TTR_5 1 3.407228e-04 1.000793e-07 ; 2.578243e-01 2.900000e-01 1.000000 0.000000 0.028619 0.064181 False fibril 2 35 36 @@ -1935,33 +1935,33 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 N_TTR_5 CB_TTR_5 1 6.098907e-03 3.239192e-05 ; 4.176996e-01 2.870829e-01 0.953973 0.000000 0.028619 0.009238 False fibril 2 36 39 N_TTR_5 O_TTR_5 1 2.985760e-03 7.685138e-06 ; 3.701969e-01 2.900000e-01 1.000000 0.000000 0.028619 0.064181 False fibril 3 36 41 N_TTR_5 N_TTR_6 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 3 36 42 - N_TTR_5 CB_TTR_6 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 36 45 - N_TTR_5 CG_TTR_6 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 36 46 - N_TTR_5 CD1_TTR_6 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 36 47 - N_TTR_5 CD2_TTR_6 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 36 48 + N_TTR_5 CB_TTR_6 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 36 45 + N_TTR_5 CG_TTR_6 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 36 46 + N_TTR_5 CD1_TTR_6 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 36 47 + N_TTR_5 CD2_TTR_6 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 36 48 N_TTR_5 N_TTR_7 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 6 36 51 N_TTR_5 CA_TTR_7 1 4.062771e-03 4.262372e-05 ; 4.678840e-01 9.681293e-02 0.027071 0.038824 0.001369 0.007651 True native_MD 7 36 53 - N_TTR_5 CB_TTR_7 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 36 54 + N_TTR_5 CB_TTR_7 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 36 54 N_TTR_5 CG_TTR_7 1 1.225501e-02 1.300142e-04 ; 4.687553e-01 2.887864e-01 0.980587 0.000000 0.028619 0.009238 False fibril 7 36 55 N_TTR_5 CD1_TTR_7 1 3.582684e-03 1.106519e-05 ; 3.816147e-01 2.900000e-01 1.000000 0.000000 0.028619 0.009238 False fibril 7 36 56 N_TTR_5 CD2_TTR_7 1 2.722129e-03 2.072107e-05 ; 4.435241e-01 8.940158e-02 0.039152 0.000000 0.028619 0.009238 False fibril 7 36 57 N_TTR_5 O_TTR_7 1 3.018002e-04 2.443341e-07 ; 3.052887e-01 9.319550e-02 0.004441 0.017032 0.001369 0.017292 True native_MD 7 36 59 N_TTR_5 N_TTR_8 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 7 36 60 N_TTR_5 CA_TTR_8 1 3.756606e-03 2.792199e-05 ; 4.417655e-01 1.263528e-01 0.023867 0.004864 0.001369 0.007651 True native_MD 7 36 62 - N_TTR_5 CB_TTR_8 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 36 63 + N_TTR_5 CB_TTR_8 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 36 63 N_TTR_5 OG_TTR_8 1 4.549219e-04 4.323369e-07 ; 3.135554e-01 1.196717e-01 0.017007 0.006653 0.001369 0.017292 True native_MD 7 36 64 N_TTR_5 C_TTR_8 1 6.864630e-04 1.382838e-06 ; 3.553795e-01 8.519281e-02 0.002959 0.000732 0.001369 0.017291 True native_MD 7 36 65 N_TTR_5 O_TTR_8 1 1.010882e-04 2.641415e-08 ; 2.528460e-01 9.671732e-02 0.005309 0.012039 0.001369 0.017292 True native_MD 7 36 66 N_TTR_5 N_TTR_9 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 7 36 67 N_TTR_5 CA_TTR_9 1 2.058902e-03 1.343301e-05 ; 4.322712e-01 7.889290e-02 0.002150 0.004046 0.001369 0.007651 True native_MD 7 36 68 - N_TTR_5 CB_TTR_9 1 0.000000e+00 3.232756e-06 ; 2.880058e-06 -3.232756e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 36 69 - N_TTR_5 CG_TTR_9 1 0.000000e+00 3.232756e-06 ; 2.880058e-06 -3.232756e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 36 70 - N_TTR_5 CD_TTR_9 1 0.000000e+00 3.232756e-06 ; 2.880058e-06 -3.232756e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 36 71 + N_TTR_5 CB_TTR_9 1 0.000000e+00 3.232715e-06 ; 2.880021e-06 -3.232715e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 36 69 + N_TTR_5 CG_TTR_9 1 0.000000e+00 3.232715e-06 ; 2.880021e-06 -3.232715e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 36 70 + N_TTR_5 CD_TTR_9 1 0.000000e+00 3.232715e-06 ; 2.880021e-06 -3.232715e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 36 71 N_TTR_5 N_TTR_10 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 7 36 74 - N_TTR_5 CB_TTR_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 36 77 + N_TTR_5 CB_TTR_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 36 77 N_TTR_5 N_TTR_11 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 7 36 87 N_TTR_5 CA_TTR_11 1 2.167374e-03 1.625478e-05 ; 4.424265e-01 7.224818e-02 0.001535 0.000406 0.001369 0.007651 True native_MD 7 36 89 - N_TTR_5 CB_TTR_11 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 36 90 + N_TTR_5 CB_TTR_11 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 36 90 N_TTR_5 OG_TTR_11 1 4.558916e-04 5.307685e-07 ; 3.243450e-01 9.789444e-02 0.005636 0.000510 0.001369 0.017292 True native_MD 7 36 91 N_TTR_5 O1_TTR_11 1 2.157881e-04 1.513091e-07 ; 2.980617e-01 7.693608e-02 0.001947 0.000199 0.001369 0.017292 True native_MD 7 36 93 N_TTR_5 O2_TTR_11 1 2.157881e-04 1.513091e-07 ; 2.980617e-01 7.693608e-02 0.001947 0.000199 0.001369 0.017292 True native_MD 7 36 94 @@ -2004,13 +2004,13 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 CA_TTR_5 OG_TTR_8 1 6.068236e-04 8.782058e-07 ; 3.363223e-01 1.048259e-01 0.057277 0.054712 0.001369 0.007651 True native_MD 7 38 64 CA_TTR_5 C_TTR_8 1 1.681333e-03 8.794152e-06 ; 4.166359e-01 8.036252e-02 0.015776 0.052112 0.001369 0.007651 True native_MD 7 38 65 CA_TTR_5 O_TTR_8 1 3.555326e-04 4.287551e-07 ; 3.262533e-01 7.370375e-02 0.013298 0.061574 0.001369 0.007651 True native_MD 7 38 66 - CA_TTR_5 N_TTR_9 1 0.000000e+00 7.682384e-06 ; 3.339025e-01 -7.682384e-06 0.001472 0.015649 0.001369 0.007651 True native_MD 7 38 67 - CA_TTR_5 CA_TTR_9 1 0.000000e+00 6.801475e-05 ; 4.004472e-01 -6.801475e-05 0.005575 0.043085 0.001369 0.003776 True native_MD 7 38 68 - CA_TTR_5 CB_TTR_9 1 0.000000e+00 2.829246e-05 ; 3.722210e-01 -2.829246e-05 0.001624 0.012899 0.001369 0.004832 True native_MD 7 38 69 - CA_TTR_5 CG_TTR_9 1 0.000000e+00 2.838278e-05 ; 3.723199e-01 -2.838278e-05 0.002550 0.017054 0.001369 0.004832 True native_MD 7 38 70 - CA_TTR_5 CD_TTR_9 1 0.000000e+00 2.855152e-05 ; 3.725038e-01 -2.855152e-05 0.004828 0.025362 0.001369 0.004832 True native_MD 7 38 71 - CA_TTR_5 CA_TTR_10 1 0.000000e+00 6.595450e-05 ; 3.994220e-01 -6.595450e-05 0.001935 0.008017 0.001369 0.003776 True native_MD 7 38 76 - CA_TTR_5 CB_TTR_10 1 0.000000e+00 3.202822e-05 ; 3.760879e-01 -3.202822e-05 0.001588 0.008332 0.001369 0.004833 True native_MD 7 38 77 + CA_TTR_5 N_TTR_9 1 0.000000e+00 7.682372e-06 ; 3.339025e-01 -7.682372e-06 0.001472 0.015649 0.001369 0.007651 True native_MD 7 38 67 + CA_TTR_5 CA_TTR_9 1 0.000000e+00 6.801525e-05 ; 4.004474e-01 -6.801525e-05 0.005575 0.043085 0.001369 0.003776 True native_MD 7 38 68 + CA_TTR_5 CB_TTR_9 1 0.000000e+00 2.829235e-05 ; 3.722209e-01 -2.829235e-05 0.001624 0.012899 0.001369 0.004832 True native_MD 7 38 69 + CA_TTR_5 CG_TTR_9 1 0.000000e+00 2.838267e-05 ; 3.723198e-01 -2.838267e-05 0.002550 0.017054 0.001369 0.004832 True native_MD 7 38 70 + CA_TTR_5 CD_TTR_9 1 0.000000e+00 2.855140e-05 ; 3.725037e-01 -2.855140e-05 0.004828 0.025362 0.001369 0.004832 True native_MD 7 38 71 + CA_TTR_5 CA_TTR_10 1 0.000000e+00 6.595498e-05 ; 3.994223e-01 -6.595498e-05 0.001935 0.008017 0.001369 0.003776 True native_MD 7 38 76 + CA_TTR_5 CB_TTR_10 1 0.000000e+00 3.202808e-05 ; 3.760878e-01 -3.202808e-05 0.001588 0.008332 0.001369 0.004833 True native_MD 7 38 77 CA_TTR_5 CD1_TTR_10 1 1.092062e-03 4.082199e-06 ; 3.939501e-01 7.303652e-02 0.001597 0.009304 0.001369 0.014253 True native_MD 7 38 79 CA_TTR_5 CD2_TTR_10 1 1.092062e-03 4.082199e-06 ; 3.939501e-01 7.303652e-02 0.001597 0.009304 0.001369 0.014253 True native_MD 7 38 80 CA_TTR_5 CE1_TTR_10 1 1.253740e-03 4.288827e-06 ; 3.881699e-01 9.162544e-02 0.004808 0.016712 0.001369 0.014253 True native_MD 7 38 81 @@ -2027,36 +2027,36 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 CB_TTR_5 CB_TTR_5 1 6.010811e-03 3.114642e-05 ; 4.159864e-01 2.900000e-01 1.000000 0.000000 0.028619 0.104186 False fibril 0 39 39 CB_TTR_5 C_TTR_5 1 5.491939e-03 2.600358e-05 ; 4.097804e-01 2.899735e-01 0.999572 0.000000 0.028619 0.009238 False fibril 2 39 40 CB_TTR_5 O_TTR_5 1 1.254601e-03 1.356916e-06 ; 3.203868e-01 2.900000e-01 1.000000 0.000000 0.028619 0.046463 False fibril 3 39 41 - CB_TTR_5 N_TTR_6 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 39 42 + CB_TTR_5 N_TTR_6 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 39 42 CB_TTR_5 CA_TTR_6 1 2.261392e-02 4.436036e-04 ; 5.193218e-01 2.882017e-01 0.971369 0.000000 0.028619 0.060347 False fibril 4 39 44 CB_TTR_5 CB_TTR_6 1 3.823894e-03 1.260531e-05 ; 3.857814e-01 2.900000e-01 1.000000 0.000000 0.028619 0.066790 False fibril 5 39 45 CB_TTR_5 CG_TTR_6 1 2.686907e-03 6.223964e-06 ; 3.637495e-01 2.899869e-01 0.999788 0.000000 0.028619 0.060347 False fibril 6 39 46 CB_TTR_5 CD1_TTR_6 1 1.552076e-03 2.076673e-06 ; 3.319524e-01 2.900000e-01 1.000000 0.000000 0.028619 0.104186 False fibril 7 39 47 CB_TTR_5 CD2_TTR_6 1 9.585603e-04 7.921016e-07 ; 3.063329e-01 2.900000e-01 1.000000 0.000000 0.028619 0.104186 False fibril 7 39 48 - CB_TTR_5 C_TTR_6 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 39 49 + CB_TTR_5 C_TTR_6 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 39 49 CB_TTR_5 O_TTR_6 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 39 50 - CB_TTR_5 N_TTR_7 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 39 51 + CB_TTR_5 N_TTR_7 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 39 51 CB_TTR_5 CA_TTR_7 1 4.062309e-03 3.468884e-05 ; 4.521017e-01 1.189313e-01 0.170674 0.148488 0.001369 0.014251 True native_MD 7 39 53 CB_TTR_5 CB_TTR_7 1 2.497698e-03 1.271918e-05 ; 4.147820e-01 1.226199e-01 0.087016 0.086337 0.001369 0.019596 True native_MD 7 39 54 CB_TTR_5 CG_TTR_7 1 1.441534e-03 4.171805e-06 ; 3.774996e-01 1.245276e-01 0.121889 0.079840 0.001369 0.014251 True native_MD 7 39 55 CB_TTR_5 CD1_TTR_7 1 1.184388e-03 2.411762e-06 ; 3.560192e-01 1.454099e-01 0.062742 0.036084 0.001369 0.079154 True native_MD 7 39 56 CB_TTR_5 CD2_TTR_7 1 1.129788e-03 2.110998e-06 ; 3.509526e-01 1.511632e-01 0.084001 0.023143 0.001369 0.079154 True native_MD 7 39 57 - CB_TTR_5 C_TTR_7 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 39 58 + CB_TTR_5 C_TTR_7 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 39 58 CB_TTR_5 O_TTR_7 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 39 59 - CB_TTR_5 N_TTR_8 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 39 60 + CB_TTR_5 N_TTR_8 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 39 60 CB_TTR_5 CA_TTR_8 1 2.881016e-03 1.820364e-05 ; 4.299673e-01 1.139916e-01 0.057285 0.064028 0.001369 0.014251 True native_MD 7 39 62 CB_TTR_5 CB_TTR_8 1 1.431652e-03 4.049185e-06 ; 3.760581e-01 1.265458e-01 0.066042 0.053696 0.001369 0.019596 True native_MD 7 39 63 - CB_TTR_5 OG_TTR_8 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 39 64 - CB_TTR_5 C_TTR_8 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 39 65 + CB_TTR_5 OG_TTR_8 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 39 64 + CB_TTR_5 C_TTR_8 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 39 65 CB_TTR_5 O_TTR_8 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 39 66 - CB_TTR_5 N_TTR_9 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 39 67 + CB_TTR_5 N_TTR_9 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 39 67 CB_TTR_5 CA_TTR_9 1 1.073208e-03 3.633103e-06 ; 3.874946e-01 7.925555e-02 0.004698 0.030573 0.001369 0.014251 True native_MD 7 39 68 CB_TTR_5 CB_TTR_9 1 1.222209e-03 4.460795e-06 ; 3.923839e-01 8.371794e-02 0.002746 0.010585 0.001369 0.019591 True native_MD 7 39 69 CB_TTR_5 CG_TTR_9 1 1.041789e-03 2.858513e-06 ; 3.741623e-01 9.492043e-02 0.004847 0.013755 0.001369 0.019591 True native_MD 7 39 70 CB_TTR_5 CD_TTR_9 1 1.284649e-03 3.857367e-06 ; 3.798258e-01 1.069592e-01 0.008925 0.017144 0.001369 0.019591 True native_MD 7 39 71 - CB_TTR_5 C_TTR_9 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 39 72 + CB_TTR_5 C_TTR_9 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 39 72 CB_TTR_5 O_TTR_9 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 39 73 - CB_TTR_5 N_TTR_10 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 39 74 + CB_TTR_5 N_TTR_10 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 39 74 CB_TTR_5 CA_TTR_10 1 1.807188e-03 1.055130e-05 ; 4.243431e-01 7.738213e-02 0.001991 0.007279 0.001369 0.014251 True native_MD 7 39 76 CB_TTR_5 CB_TTR_10 1 7.105336e-04 1.689556e-06 ; 3.653406e-01 7.470278e-02 0.001738 0.007813 0.001369 0.019596 True native_MD 7 39 77 CB_TTR_5 CD1_TTR_10 1 6.342010e-04 1.336084e-06 ; 3.580424e-01 7.525931e-02 0.001788 0.007570 0.001369 0.079167 True native_MD 7 39 79 @@ -2064,14 +2064,14 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 CB_TTR_5 CE1_TTR_10 1 7.036978e-04 1.355562e-06 ; 3.527407e-01 9.132571e-02 0.004039 0.012101 0.001369 0.079167 True native_MD 7 39 81 CB_TTR_5 CE2_TTR_10 1 7.036978e-04 1.355562e-06 ; 3.527407e-01 9.132571e-02 0.004039 0.012101 0.001369 0.079167 True native_MD 7 39 82 CB_TTR_5 CZ_TTR_10 1 8.763754e-04 1.867715e-06 ; 3.587320e-01 1.028040e-01 0.007229 0.019229 0.001369 0.079167 True native_MD 7 39 83 - CB_TTR_5 OH_TTR_10 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 39 84 - CB_TTR_5 C_TTR_10 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 39 85 + CB_TTR_5 OH_TTR_10 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 39 84 + CB_TTR_5 C_TTR_10 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 39 85 CB_TTR_5 O_TTR_10 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 39 86 - CB_TTR_5 N_TTR_11 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 39 87 + CB_TTR_5 N_TTR_11 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 39 87 CB_TTR_5 CA_TTR_11 1 1.765727e-03 6.689657e-06 ; 3.948329e-01 1.165154e-01 0.014491 0.005783 0.001369 0.014251 True native_MD 7 39 89 CB_TTR_5 CB_TTR_11 1 1.097623e-03 2.581076e-06 ; 3.646627e-01 1.166931e-01 0.014622 0.005871 0.001369 0.019596 True native_MD 7 39 90 - CB_TTR_5 OG_TTR_11 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 39 91 - CB_TTR_5 C_TTR_11 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 39 92 + CB_TTR_5 OG_TTR_11 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 39 91 + CB_TTR_5 C_TTR_11 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 39 92 CB_TTR_5 O1_TTR_11 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 39 93 CB_TTR_5 O2_TTR_11 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 39 94 C_TTR_5 C_TTR_5 1 6.005156e-03 3.108794e-05 ; 4.159214e-01 2.899991e-01 0.999985 0.000000 0.028619 0.064180 False fibril 0 40 40 @@ -2080,30 +2080,30 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 C_TTR_5 CA_TTR_6 1 1.156533e-02 1.153105e-04 ; 4.639293e-01 2.899929e-01 0.999886 0.000000 0.028619 0.049502 False fibril 2 40 44 C_TTR_5 CB_TTR_6 1 9.465121e-03 9.980841e-05 ; 4.682813e-01 2.244012e-01 0.346585 0.000000 0.028619 0.009238 False fibril 3 40 45 C_TTR_5 CG_TTR_6 1 1.118878e-02 1.079214e-04 ; 4.613751e-01 2.900000e-01 1.000000 0.000000 0.028619 0.009238 False fibril 4 40 46 - C_TTR_5 CD1_TTR_6 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 40 47 + C_TTR_5 CD1_TTR_6 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 40 47 C_TTR_5 CD2_TTR_6 1 5.333824e-03 2.452559e-05 ; 4.077839e-01 2.900000e-01 1.000000 0.000000 0.028619 0.009238 False fibril 5 40 48 C_TTR_5 O_TTR_6 1 4.062481e-03 1.461734e-05 ; 3.914529e-01 2.822633e-01 0.882522 0.000000 0.028619 0.064181 False fibril 4 40 50 - C_TTR_5 CB_TTR_7 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 40 54 + C_TTR_5 CB_TTR_7 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 40 54 C_TTR_5 CG_TTR_7 1 1.570519e-02 2.126956e-04 ; 4.882241e-01 2.899133e-01 0.998601 0.000000 0.028619 0.009238 False fibril 7 40 55 C_TTR_5 CD1_TTR_7 1 5.783160e-03 2.883184e-05 ; 4.133182e-01 2.900000e-01 1.000000 0.000000 0.028619 0.009238 False fibril 7 40 56 C_TTR_5 CD2_TTR_7 1 6.611440e-03 3.768202e-05 ; 4.226424e-01 2.900000e-01 1.000000 0.000000 0.028619 0.009238 False fibril 7 40 57 C_TTR_5 O_TTR_7 1 5.715410e-04 7.266465e-07 ; 3.291390e-01 1.123858e-01 0.076258 0.112197 0.001369 0.017292 True native_MD 7 40 59 C_TTR_5 N_TTR_8 1 7.515884e-04 1.252894e-06 ; 3.443413e-01 1.127160e-01 0.092891 0.134395 0.001369 0.017291 True native_MD 7 40 60 C_TTR_5 CA_TTR_8 1 2.162547e-03 1.211759e-05 ; 4.214459e-01 9.648385e-02 0.099883 0.145655 0.001369 0.007651 True native_MD 7 40 62 - C_TTR_5 CB_TTR_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 40 63 + C_TTR_5 CB_TTR_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 40 63 C_TTR_5 C_TTR_8 1 1.466798e-03 5.679056e-06 ; 3.962637e-01 9.471183e-02 0.010988 0.039618 0.001369 0.017291 True native_MD 7 40 65 C_TTR_5 O_TTR_8 1 4.705825e-04 5.806988e-07 ; 3.275060e-01 9.533680e-02 0.015456 0.053993 0.001369 0.017292 True native_MD 7 40 66 - C_TTR_5 CA_TTR_9 1 0.000000e+00 1.338393e-05 ; 3.497118e-01 -1.338393e-05 0.001475 0.026917 0.001369 0.007651 True native_MD 7 40 68 - C_TTR_5 CB_TTR_9 1 0.000000e+00 5.570103e-06 ; 4.962397e-06 -5.570103e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 40 69 - C_TTR_5 CG_TTR_9 1 0.000000e+00 5.570103e-06 ; 4.962397e-06 -5.570103e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 40 70 - C_TTR_5 CD_TTR_9 1 0.000000e+00 5.570103e-06 ; 4.962397e-06 -5.570103e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 40 71 - C_TTR_5 CB_TTR_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 40 77 + C_TTR_5 CA_TTR_9 1 0.000000e+00 1.338386e-05 ; 3.497117e-01 -1.338386e-05 0.001475 0.026917 0.001369 0.007651 True native_MD 7 40 68 + C_TTR_5 CB_TTR_9 1 0.000000e+00 5.570011e-06 ; 4.962315e-06 -5.570011e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 40 69 + C_TTR_5 CG_TTR_9 1 0.000000e+00 5.570011e-06 ; 4.962315e-06 -5.570011e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 40 70 + C_TTR_5 CD_TTR_9 1 0.000000e+00 5.570011e-06 ; 4.962315e-06 -5.570011e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 40 71 + C_TTR_5 CB_TTR_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 40 77 C_TTR_5 CE1_TTR_10 1 1.153082e-03 4.179398e-06 ; 3.919304e-01 7.953281e-02 0.002221 0.007609 0.001369 0.035465 True native_MD 7 40 81 C_TTR_5 CE2_TTR_10 1 1.153082e-03 4.179398e-06 ; 3.919304e-01 7.953281e-02 0.002221 0.007609 0.001369 0.035465 True native_MD 7 40 82 C_TTR_5 CZ_TTR_10 1 1.516585e-03 5.822882e-06 ; 3.957114e-01 9.874966e-02 0.005885 0.010787 0.001369 0.035465 True native_MD 7 40 83 C_TTR_5 OH_TTR_10 1 3.957495e-04 3.787322e-07 ; 3.139197e-01 1.033829e-01 0.007445 0.015416 0.001369 0.017292 True native_MD 7 40 84 C_TTR_5 CA_TTR_11 1 2.134293e-03 9.557493e-06 ; 4.059897e-01 1.191528e-01 0.016565 0.001006 0.001369 0.007651 True native_MD 7 40 89 - C_TTR_5 CB_TTR_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 40 90 + C_TTR_5 CB_TTR_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 40 90 C_TTR_5 OG_TTR_11 1 4.893271e-04 4.784639e-07 ; 3.150467e-01 1.251092e-01 0.022408 0.001849 0.001369 0.017292 True native_MD 7 40 91 C_TTR_5 C_TTR_11 1 7.119952e-04 1.290164e-06 ; 3.491628e-01 9.823115e-02 0.005733 0.000333 0.001369 0.017291 True native_MD 7 40 92 C_TTR_5 O1_TTR_11 1 2.735956e-04 2.040340e-07 ; 3.011380e-01 9.171820e-02 0.004120 0.000200 0.001369 0.017292 True native_MD 7 40 93 @@ -2133,7 +2133,7 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 O_TTR_5 C_TTR_8 1 4.890436e-04 5.512106e-07 ; 3.225980e-01 1.084720e-01 0.035454 0.063617 0.001369 0.017292 True native_MD 7 41 65 O_TTR_5 O_TTR_8 1 0.000000e+00 1.582637e-06 ; 2.927140e-01 -1.582637e-06 0.066610 0.121701 0.001369 0.000039 True native_MD 7 41 66 O_TTR_5 N_TTR_9 1 2.451894e-04 2.040862e-07 ; 3.067035e-01 7.364267e-02 0.003136 0.032924 0.001369 0.017292 True native_MD 7 41 67 - O_TTR_5 CA_TTR_9 1 0.000000e+00 4.300298e-06 ; 3.181412e-01 -4.300298e-06 0.002360 0.037704 0.001369 0.007651 True native_MD 7 41 68 + O_TTR_5 CA_TTR_9 1 0.000000e+00 4.300332e-06 ; 3.181414e-01 -4.300332e-06 0.002360 0.037704 0.001369 0.007651 True native_MD 7 41 68 O_TTR_5 CB_TTR_9 1 5.202057e-04 6.765348e-07 ; 3.303841e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 41 69 O_TTR_5 CG_TTR_9 1 5.202057e-04 6.765348e-07 ; 3.303841e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 41 70 O_TTR_5 CD_TTR_9 1 5.202057e-04 6.765348e-07 ; 3.303841e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 41 71 @@ -2157,32 +2157,32 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 N_TTR_6 CA_TTR_6 1 4.261970e-03 1.565896e-05 ; 3.928186e-01 2.900000e-01 1.000000 0.000000 0.028619 0.049502 False fibril 1 42 44 N_TTR_6 CB_TTR_6 1 7.583729e-03 5.186843e-05 ; 4.356824e-01 2.772059e-01 0.813292 0.000000 0.028619 0.009238 False fibril 2 42 45 N_TTR_6 CG_TTR_6 1 8.159165e-03 5.738973e-05 ; 4.377217e-01 2.899995e-01 0.999992 0.000000 0.028619 0.009238 False fibril 3 42 46 - N_TTR_6 CD1_TTR_6 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 42 47 + N_TTR_6 CD1_TTR_6 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 42 47 N_TTR_6 CD2_TTR_6 1 6.734976e-03 4.551627e-05 ; 4.348156e-01 2.491411e-01 0.516852 0.000000 0.028619 0.009238 False fibril 4 42 48 N_TTR_6 O_TTR_6 1 3.421248e-03 1.009047e-05 ; 3.786934e-01 2.900000e-01 1.000000 0.000000 0.028619 0.064181 False fibril 3 42 50 N_TTR_6 N_TTR_7 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 3 42 51 - N_TTR_6 CB_TTR_7 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 42 54 + N_TTR_6 CB_TTR_7 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 42 54 N_TTR_6 CG_TTR_7 1 1.248619e-02 1.438933e-04 ; 4.752642e-01 2.708691e-01 0.734163 0.000000 0.028619 0.009238 False fibril 6 42 55 N_TTR_6 CD1_TTR_7 1 7.228625e-03 4.515289e-05 ; 4.291459e-01 2.893116e-01 0.988941 0.000000 0.028619 0.009238 False fibril 7 42 56 N_TTR_6 CD2_TTR_7 1 5.084464e-03 2.228601e-05 ; 4.045429e-01 2.900000e-01 1.000000 0.000000 0.028619 0.009238 False fibril 7 42 57 N_TTR_6 N_TTR_8 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 6 42 60 N_TTR_6 CA_TTR_8 1 4.192590e-03 4.420373e-05 ; 4.682697e-01 9.941363e-02 0.027293 0.034306 0.001369 0.007651 True native_MD 7 42 62 - N_TTR_6 CB_TTR_8 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 42 63 + N_TTR_6 CB_TTR_8 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 42 63 N_TTR_6 OG_TTR_8 1 3.501828e-04 4.314419e-07 ; 3.274195e-01 7.105707e-02 0.001445 0.003223 0.001369 0.017292 True native_MD 7 42 64 N_TTR_6 O_TTR_8 1 1.067075e-03 2.958182e-06 ; 3.748047e-01 9.622882e-02 0.006189 0.020663 0.001369 0.017292 True native_MD 7 42 66 N_TTR_6 N_TTR_9 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 7 42 67 - N_TTR_6 CB_TTR_9 1 0.000000e+00 3.232756e-06 ; 2.880058e-06 -3.232756e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 42 69 - N_TTR_6 CG_TTR_9 1 0.000000e+00 3.232756e-06 ; 2.880058e-06 -3.232756e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 42 70 - N_TTR_6 CD_TTR_9 1 0.000000e+00 3.232756e-06 ; 2.880058e-06 -3.232756e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 42 71 + N_TTR_6 CB_TTR_9 1 0.000000e+00 3.232715e-06 ; 2.880021e-06 -3.232715e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 42 69 + N_TTR_6 CG_TTR_9 1 0.000000e+00 3.232715e-06 ; 2.880021e-06 -3.232715e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 42 70 + N_TTR_6 CD_TTR_9 1 0.000000e+00 3.232715e-06 ; 2.880021e-06 -3.232715e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 42 71 N_TTR_6 N_TTR_10 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 7 42 74 - N_TTR_6 CB_TTR_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 42 77 + N_TTR_6 CB_TTR_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 42 77 N_TTR_6 CE1_TTR_10 1 4.282593e-04 5.864444e-07 ; 3.332371e-01 7.818559e-02 0.002074 0.001496 0.001369 0.035466 True native_MD 7 42 81 N_TTR_6 CE2_TTR_10 1 4.282593e-04 5.864444e-07 ; 3.332371e-01 7.818559e-02 0.002074 0.001496 0.001369 0.035466 True native_MD 7 42 82 N_TTR_6 CZ_TTR_10 1 5.037098e-04 7.350117e-07 ; 3.367847e-01 8.629917e-02 0.003130 0.002305 0.001369 0.035466 True native_MD 7 42 83 N_TTR_6 OH_TTR_10 1 1.270470e-04 4.392026e-08 ; 2.649212e-01 9.187645e-02 0.004153 0.007119 0.001369 0.017292 True native_MD 7 42 84 N_TTR_6 N_TTR_11 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 7 42 87 N_TTR_6 CA_TTR_11 1 2.530809e-03 1.622931e-05 ; 4.310293e-01 9.866403e-02 0.005860 0.000121 0.001369 0.007651 True native_MD 7 42 89 - N_TTR_6 CB_TTR_11 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 42 90 + N_TTR_6 CB_TTR_11 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 42 90 N_TTR_6 OG_TTR_11 1 1.970954e-04 8.817315e-08 ; 2.765519e-01 1.101430e-01 0.010489 0.000662 0.001369 0.017292 True native_MD 7 42 91 N_TTR_6 C_TTR_11 1 7.322072e-04 1.650838e-06 ; 3.621138e-01 8.119018e-02 0.002415 0.000000 0.001369 0.017291 True native_MD 7 42 92 N_TTR_6 O1_TTR_11 1 2.207323e-04 1.370876e-07 ; 2.920936e-01 8.885328e-02 0.003563 0.000046 0.001369 0.017292 True native_MD 7 42 93 @@ -2219,10 +2219,10 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 CA_TTR_6 C_TTR_8 1 3.327849e-03 3.287479e-05 ; 4.632157e-01 8.421785e-02 0.054413 0.147814 0.001369 0.007651 True native_MD 7 44 65 CA_TTR_6 O_TTR_8 1 1.026318e-03 2.917320e-06 ; 3.763717e-01 9.026511e-02 0.076119 0.152168 0.001369 0.007651 True native_MD 7 44 66 CA_TTR_6 N_TTR_9 1 2.209642e-03 1.631892e-05 ; 4.412942e-01 7.479844e-02 0.002630 0.011520 0.001369 0.007651 True native_MD 7 44 67 - CA_TTR_6 CA_TTR_9 1 0.000000e+00 6.878787e-05 ; 4.008246e-01 -6.878787e-05 0.012637 0.061941 0.001369 0.003776 True native_MD 7 44 68 - CA_TTR_6 CB_TTR_9 1 0.000000e+00 2.818242e-05 ; 3.721002e-01 -2.818242e-05 0.002856 0.010198 0.001369 0.004832 True native_MD 7 44 69 - CA_TTR_6 CG_TTR_9 1 0.000000e+00 2.856460e-05 ; 3.725181e-01 -2.856460e-05 0.002953 0.023955 0.001369 0.004832 True native_MD 7 44 70 - CA_TTR_6 CD_TTR_9 1 0.000000e+00 2.908322e-05 ; 3.730771e-01 -2.908322e-05 0.005001 0.044541 0.001369 0.004832 True native_MD 7 44 71 + CA_TTR_6 CA_TTR_9 1 0.000000e+00 6.878838e-05 ; 4.008248e-01 -6.878838e-05 0.012637 0.061941 0.001369 0.003776 True native_MD 7 44 68 + CA_TTR_6 CB_TTR_9 1 0.000000e+00 2.818231e-05 ; 3.721000e-01 -2.818231e-05 0.002856 0.010198 0.001369 0.004832 True native_MD 7 44 69 + CA_TTR_6 CG_TTR_9 1 0.000000e+00 2.856449e-05 ; 3.725179e-01 -2.856449e-05 0.002953 0.023955 0.001369 0.004832 True native_MD 7 44 70 + CA_TTR_6 CD_TTR_9 1 0.000000e+00 2.908311e-05 ; 3.730769e-01 -2.908311e-05 0.005001 0.044541 0.001369 0.004832 True native_MD 7 44 71 CA_TTR_6 CD1_TTR_10 1 1.177676e-03 4.514569e-06 ; 3.956080e-01 7.680246e-02 0.001934 0.003380 0.001369 0.014253 True native_MD 7 44 79 CA_TTR_6 CD2_TTR_10 1 1.177676e-03 4.514569e-06 ; 3.956080e-01 7.680246e-02 0.001934 0.003380 0.001369 0.014253 True native_MD 7 44 80 CA_TTR_6 CE1_TTR_10 1 1.361859e-03 5.024494e-06 ; 3.930912e-01 9.228093e-02 0.004701 0.015805 0.001369 0.014253 True native_MD 7 44 81 @@ -2241,26 +2241,26 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 CB_TTR_6 CD2_TTR_6 1 6.466917e-04 3.605356e-07 ; 2.868854e-01 2.899922e-01 0.999875 0.000000 0.028619 0.066790 False fibril 2 45 48 CB_TTR_6 C_TTR_6 1 7.914723e-03 5.400287e-05 ; 4.355087e-01 2.899978e-01 0.999964 0.000000 0.028619 0.009238 False fibril 2 45 49 CB_TTR_6 O_TTR_6 1 2.259049e-03 4.399461e-06 ; 3.533830e-01 2.899958e-01 0.999932 0.000000 0.028619 0.046463 False fibril 3 45 50 - CB_TTR_6 N_TTR_7 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 45 51 + CB_TTR_6 N_TTR_7 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 45 51 CB_TTR_6 CG_TTR_7 1 9.916279e-03 8.477518e-05 ; 4.521890e-01 2.899805e-01 0.999684 0.000000 0.028619 0.042764 False fibril 6 45 55 CB_TTR_6 CD1_TTR_7 1 8.893649e-03 6.818776e-05 ; 4.440560e-01 2.899970e-01 0.999952 0.000000 0.028619 0.066790 False fibril 7 45 56 CB_TTR_6 CD2_TTR_7 1 1.415649e-03 1.727641e-06 ; 3.269010e-01 2.900000e-01 1.000000 0.000000 0.028619 0.066790 False fibril 7 45 57 - CB_TTR_6 C_TTR_7 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 45 58 + CB_TTR_6 C_TTR_7 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 45 58 CB_TTR_6 O_TTR_7 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000 0.000000 0.028619 0.046463 False fibril 6 45 59 - CB_TTR_6 N_TTR_8 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 45 60 + CB_TTR_6 N_TTR_8 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 45 60 CB_TTR_6 CA_TTR_8 1 2.763716e-03 2.152089e-05 ; 4.452061e-01 8.872918e-02 0.182114 0.248579 0.001369 0.004833 True native_MD 7 45 62 CB_TTR_6 CB_TTR_8 1 1.800497e-03 7.766729e-06 ; 4.034666e-01 1.043486e-01 0.117245 0.093996 0.001369 0.006268 True native_MD 7 45 63 - CB_TTR_6 OG_TTR_8 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 45 64 - CB_TTR_6 C_TTR_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 45 65 + CB_TTR_6 OG_TTR_8 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 45 64 + CB_TTR_6 C_TTR_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 45 65 CB_TTR_6 O_TTR_8 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000 0.000000 0.028619 0.046463 False fibril 7 45 66 - CB_TTR_6 N_TTR_9 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 45 67 - CB_TTR_6 CA_TTR_9 1 0.000000e+00 3.388861e-05 ; 3.778617e-01 -3.388861e-05 0.020079 0.085301 0.001369 0.004833 True native_MD 7 45 68 - CB_TTR_6 CB_TTR_9 1 0.000000e+00 1.378617e-05 ; 3.505758e-01 -1.378617e-05 0.004084 0.019489 0.001369 0.006267 True native_MD 7 45 69 - CB_TTR_6 CG_TTR_9 1 0.000000e+00 1.388189e-05 ; 3.507780e-01 -1.388189e-05 0.003321 0.025777 0.001369 0.006267 True native_MD 7 45 70 - CB_TTR_6 CD_TTR_9 1 0.000000e+00 1.405086e-05 ; 3.511319e-01 -1.405086e-05 0.005339 0.040240 0.001369 0.006267 True native_MD 7 45 71 - CB_TTR_6 C_TTR_9 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 45 72 + CB_TTR_6 N_TTR_9 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 45 67 + CB_TTR_6 CA_TTR_9 1 0.000000e+00 3.388847e-05 ; 3.778615e-01 -3.388847e-05 0.020079 0.085301 0.001369 0.004833 True native_MD 7 45 68 + CB_TTR_6 CB_TTR_9 1 0.000000e+00 1.378595e-05 ; 3.505754e-01 -1.378595e-05 0.004084 0.019489 0.001369 0.006267 True native_MD 7 45 69 + CB_TTR_6 CG_TTR_9 1 0.000000e+00 1.388167e-05 ; 3.507776e-01 -1.388167e-05 0.003321 0.025777 0.001369 0.006267 True native_MD 7 45 70 + CB_TTR_6 CD_TTR_9 1 0.000000e+00 1.405065e-05 ; 3.511314e-01 -1.405065e-05 0.005339 0.040240 0.001369 0.006267 True native_MD 7 45 71 + CB_TTR_6 C_TTR_9 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 45 72 CB_TTR_6 O_TTR_9 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000 0.000000 0.028619 0.046463 False fibril 7 45 73 - CB_TTR_6 N_TTR_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 45 74 + CB_TTR_6 N_TTR_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 45 74 CB_TTR_6 CA_TTR_10 1 6.350380e-03 1.051737e-04 ; 5.048759e-01 9.585881e-02 0.005083 0.002484 0.001369 0.004833 True native_MD 7 45 76 CB_TTR_6 CB_TTR_10 1 1.832403e-03 9.989819e-06 ; 4.195233e-01 8.402808e-02 0.002789 0.004232 0.001369 0.006268 True native_MD 7 45 77 CB_TTR_6 CG_TTR_10 1 1.212962e-03 5.214791e-06 ; 4.032413e-01 7.053383e-02 0.001407 0.001721 0.001369 0.019598 True native_MD 7 45 78 @@ -2269,16 +2269,16 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 CB_TTR_6 CE1_TTR_10 1 5.949015e-04 1.044529e-06 ; 3.473329e-01 8.470510e-02 0.002887 0.017594 0.001369 0.019598 True native_MD 7 45 81 CB_TTR_6 CE2_TTR_10 1 5.949015e-04 1.044529e-06 ; 3.473329e-01 8.470510e-02 0.002887 0.017594 0.001369 0.019598 True native_MD 7 45 82 CB_TTR_6 CZ_TTR_10 1 7.501579e-04 1.475945e-06 ; 3.539861e-01 9.531806e-02 0.004945 0.018056 0.001369 0.019598 True native_MD 7 45 83 - CB_TTR_6 OH_TTR_10 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 45 84 - CB_TTR_6 C_TTR_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 45 85 + CB_TTR_6 OH_TTR_10 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 45 84 + CB_TTR_6 C_TTR_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 45 85 CB_TTR_6 O_TTR_10 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000 0.000000 0.028619 0.046463 False fibril 7 45 86 - CB_TTR_6 N_TTR_11 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 45 87 + CB_TTR_6 N_TTR_11 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 45 87 CB_TTR_6 CA_TTR_11 1 4.136453e-03 3.292179e-05 ; 4.468303e-01 1.299310e-01 0.028616 0.002862 0.001369 0.004833 True native_MD 7 45 89 CB_TTR_6 CB_TTR_11 1 1.253687e-03 2.884768e-06 ; 3.633459e-01 1.362096e-01 0.039346 0.005015 0.001369 0.006268 True native_MD 7 45 90 - CB_TTR_6 OG_TTR_11 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 45 91 - CB_TTR_6 C_TTR_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 45 92 - CB_TTR_6 O1_TTR_11 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 45 93 - CB_TTR_6 O2_TTR_11 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 45 94 + CB_TTR_6 OG_TTR_11 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 45 91 + CB_TTR_6 C_TTR_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 45 92 + CB_TTR_6 O1_TTR_11 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 45 93 + CB_TTR_6 O2_TTR_11 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 45 94 CG_TTR_6 CG_TTR_6 1 6.044124e-03 3.149734e-05 ; 4.163802e-01 2.899565e-01 0.999297 0.000000 0.028619 0.039532 False fibril 0 46 46 CG_TTR_6 CD1_TTR_6 1 7.051022e-03 4.285940e-05 ; 4.272011e-01 2.900000e-01 1.000000 0.000000 0.028619 0.060347 False fibril 1 46 47 CG_TTR_6 CD2_TTR_6 1 4.851029e-03 2.028663e-05 ; 4.013864e-01 2.900000e-01 1.000000 0.000000 0.028619 0.060347 False fibril 1 46 48 @@ -2291,20 +2291,20 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 CG_TTR_6 CD2_TTR_7 1 3.334008e-03 9.582425e-06 ; 3.770666e-01 2.900000e-01 1.000000 0.000000 0.028619 0.060347 False fibril 7 46 57 CG_TTR_6 C_TTR_7 1 1.341303e-02 1.798444e-04 ; 4.874107e-01 2.500901e-01 0.524836 0.000000 0.028619 0.009238 False fibril 6 46 58 CG_TTR_6 O_TTR_7 1 7.480711e-03 6.068222e-05 ; 4.482495e-01 2.305495e-01 0.382774 0.000000 0.028619 0.046463 False fibril 7 46 59 - CG_TTR_6 N_TTR_8 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 46 60 + CG_TTR_6 N_TTR_8 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 46 60 CG_TTR_6 CA_TTR_8 1 3.936480e-03 4.288969e-05 ; 4.708409e-01 9.032400e-02 0.173531 0.170697 0.001369 0.003776 True native_MD 7 46 62 CG_TTR_6 CB_TTR_8 1 1.959700e-03 9.756031e-06 ; 4.132193e-01 9.841149e-02 0.099544 0.083151 0.001369 0.004833 True native_MD 7 46 63 CG_TTR_6 OG_TTR_8 1 7.840714e-03 8.138444e-05 ; 4.670510e-01 1.888469e-01 0.195159 0.000000 0.028619 0.009238 False fibril 7 46 64 - CG_TTR_6 C_TTR_8 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 46 65 + CG_TTR_6 C_TTR_8 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 46 65 CG_TTR_6 O_TTR_8 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000 0.000000 0.028619 0.046463 False fibril 7 46 66 - CG_TTR_6 N_TTR_9 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 46 67 - CG_TTR_6 CA_TTR_9 1 0.000000e+00 6.933728e-05 ; 4.010904e-01 -6.933728e-05 0.020587 0.078271 0.001369 0.003776 True native_MD 7 46 68 - CG_TTR_6 CB_TTR_9 1 0.000000e+00 2.842381e-05 ; 3.723647e-01 -2.842381e-05 0.006122 0.022092 0.001369 0.004832 True native_MD 7 46 69 - CG_TTR_6 CG_TTR_9 1 0.000000e+00 2.851404e-05 ; 3.724631e-01 -2.851404e-05 0.005790 0.024985 0.001369 0.004832 True native_MD 7 46 70 + CG_TTR_6 N_TTR_9 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 46 67 + CG_TTR_6 CA_TTR_9 1 0.000000e+00 6.933779e-05 ; 4.010906e-01 -6.933779e-05 0.020587 0.078271 0.001369 0.003776 True native_MD 7 46 68 + CG_TTR_6 CB_TTR_9 1 0.000000e+00 2.842370e-05 ; 3.723646e-01 -2.842370e-05 0.006122 0.022092 0.001369 0.004832 True native_MD 7 46 69 + CG_TTR_6 CG_TTR_9 1 0.000000e+00 2.851392e-05 ; 3.724630e-01 -2.851392e-05 0.005790 0.024985 0.001369 0.004832 True native_MD 7 46 70 CG_TTR_6 CD_TTR_9 1 1.982143e-03 1.281178e-05 ; 4.315977e-01 7.666561e-02 0.012065 0.030359 0.001369 0.004832 True native_MD 7 46 71 - CG_TTR_6 C_TTR_9 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 46 72 + CG_TTR_6 C_TTR_9 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 46 72 CG_TTR_6 O_TTR_9 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000 0.000000 0.028619 0.046463 False fibril 7 46 73 - CG_TTR_6 N_TTR_10 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 46 74 + CG_TTR_6 N_TTR_10 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 46 74 CG_TTR_6 CA_TTR_10 1 5.878892e-03 9.325504e-05 ; 5.012597e-01 9.265284e-02 0.011202 0.009791 0.001369 0.003776 True native_MD 7 46 76 CG_TTR_6 CB_TTR_10 1 3.024097e-03 2.687140e-05 ; 4.551094e-01 8.508264e-02 0.007833 0.012864 0.001369 0.004833 True native_MD 7 46 77 CG_TTR_6 CG_TTR_10 1 2.103366e-03 1.296821e-05 ; 4.282140e-01 8.528829e-02 0.002974 0.005904 0.001369 0.014253 True native_MD 7 46 78 @@ -2313,16 +2313,16 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 CG_TTR_6 CE1_TTR_10 1 8.419990e-04 2.175428e-06 ; 3.704295e-01 8.147391e-02 0.004667 0.027147 0.001369 0.014253 True native_MD 7 46 81 CG_TTR_6 CE2_TTR_10 1 8.419990e-04 2.175428e-06 ; 3.704295e-01 8.147391e-02 0.004667 0.027147 0.001369 0.014253 True native_MD 7 46 82 CG_TTR_6 CZ_TTR_10 1 1.251273e-03 4.659790e-06 ; 3.937033e-01 8.399972e-02 0.006453 0.033021 0.001369 0.014253 True native_MD 7 46 83 - CG_TTR_6 OH_TTR_10 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 46 84 - CG_TTR_6 C_TTR_10 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 46 85 + CG_TTR_6 OH_TTR_10 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 46 84 + CG_TTR_6 C_TTR_10 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 46 85 CG_TTR_6 O_TTR_10 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000 0.000000 0.028619 0.046463 False fibril 7 46 86 - CG_TTR_6 N_TTR_11 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 46 87 + CG_TTR_6 N_TTR_11 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 46 87 CG_TTR_6 CA_TTR_11 1 6.315799e-03 8.588388e-05 ; 4.885555e-01 1.161141e-01 0.031253 0.008311 0.001369 0.003776 True native_MD 7 46 89 CG_TTR_6 CB_TTR_11 1 2.526378e-03 1.332010e-05 ; 4.171909e-01 1.197924e-01 0.039956 0.011284 0.001369 0.004833 True native_MD 7 46 90 - CG_TTR_6 OG_TTR_11 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 46 91 - CG_TTR_6 C_TTR_11 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 46 92 - CG_TTR_6 O1_TTR_11 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 46 93 - CG_TTR_6 O2_TTR_11 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 46 94 + CG_TTR_6 OG_TTR_11 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 46 91 + CG_TTR_6 C_TTR_11 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 46 92 + CG_TTR_6 O1_TTR_11 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 46 93 + CG_TTR_6 O2_TTR_11 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 46 94 CD1_TTR_6 CD1_TTR_6 1 6.032759e-03 3.137803e-05 ; 4.162475e-01 2.899655e-01 0.999443 0.000000 0.028619 0.104186 False fibril 0 47 47 CD1_TTR_6 CD2_TTR_6 1 4.780718e-03 1.970281e-05 ; 4.004109e-01 2.900000e-01 1.000000 0.000000 0.028619 0.104186 False fibril 2 47 48 CD1_TTR_6 C_TTR_6 1 8.116878e-03 6.486963e-05 ; 4.471385e-01 2.539081e-01 0.558223 0.000000 0.028619 0.009238 False fibril 4 47 49 @@ -2335,20 +2335,20 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 CD1_TTR_6 CD2_TTR_7 1 1.251234e-02 1.353400e-04 ; 4.702707e-01 2.891953e-01 0.987085 0.000000 0.028619 0.104186 False fibril 7 47 57 CD1_TTR_6 C_TTR_7 1 7.392824e-03 5.382523e-05 ; 4.402465e-01 2.538486e-01 0.557687 0.000000 0.028619 0.009238 False fibril 7 47 58 CD1_TTR_6 O_TTR_7 1 3.698576e-03 1.343146e-05 ; 3.920560e-01 2.546161e-01 0.564643 0.000000 0.028619 0.046463 False fibril 7 47 59 - CD1_TTR_6 N_TTR_8 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 47 60 + CD1_TTR_6 N_TTR_8 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 47 60 CD1_TTR_6 CA_TTR_8 1 1.927461e-02 3.773869e-04 ; 5.191588e-01 2.461073e-01 0.492134 0.000000 0.028619 0.060347 False fibril 7 47 62 CD1_TTR_6 CB_TTR_8 1 1.381984e-02 1.972268e-04 ; 4.925048e-01 2.420917e-01 0.461225 0.000000 0.028619 0.066790 False fibril 7 47 63 CD1_TTR_6 OG_TTR_8 1 3.502791e-03 1.057719e-05 ; 3.801830e-01 2.900000e-01 1.000000 0.000000 0.028619 0.009238 False fibril 7 47 64 - CD1_TTR_6 C_TTR_8 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 47 65 + CD1_TTR_6 C_TTR_8 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 47 65 CD1_TTR_6 O_TTR_8 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 47 66 - CD1_TTR_6 N_TTR_9 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 47 67 + CD1_TTR_6 N_TTR_9 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 47 67 CD1_TTR_6 CA_TTR_9 1 1.198955e-03 3.903006e-06 ; 3.849752e-01 9.207608e-02 0.016751 0.056898 0.001369 0.014251 True native_MD 7 47 68 CD1_TTR_6 CB_TTR_9 1 1.383001e-03 4.911744e-06 ; 3.906030e-01 9.735301e-02 0.005483 0.018619 0.001369 0.019591 True native_MD 7 47 69 CD1_TTR_6 CG_TTR_9 1 1.145084e-03 3.561657e-06 ; 3.820637e-01 9.203709e-02 0.004187 0.016661 0.001369 0.019591 True native_MD 7 47 70 CD1_TTR_6 CD_TTR_9 1 1.268855e-03 3.955807e-06 ; 3.822116e-01 1.017487e-01 0.006852 0.014511 0.001369 0.019591 True native_MD 7 47 71 - CD1_TTR_6 C_TTR_9 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 47 72 + CD1_TTR_6 C_TTR_9 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 47 72 CD1_TTR_6 O_TTR_9 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 47 73 - CD1_TTR_6 N_TTR_10 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 47 74 + CD1_TTR_6 N_TTR_10 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 47 74 CD1_TTR_6 CA_TTR_10 1 1.228351e-03 3.367523e-06 ; 3.741089e-01 1.120146e-01 0.012903 0.015943 0.001369 0.014251 True native_MD 7 47 76 CD1_TTR_6 CB_TTR_10 1 9.740792e-04 2.178973e-06 ; 3.616398e-01 1.088621e-01 0.009829 0.018952 0.001369 0.019596 True native_MD 7 47 77 CD1_TTR_6 CG_TTR_10 1 8.116065e-04 1.649297e-06 ; 3.558980e-01 9.984636e-02 0.006222 0.013730 0.001369 0.079167 True native_MD 7 47 78 @@ -2357,14 +2357,14 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 CD1_TTR_6 CE1_TTR_10 1 5.773123e-04 8.570781e-07 ; 3.377548e-01 9.721679e-02 0.005445 0.029003 0.001369 0.079167 True native_MD 7 47 81 CD1_TTR_6 CE2_TTR_10 1 5.773123e-04 8.570781e-07 ; 3.377548e-01 9.721679e-02 0.005445 0.029003 0.001369 0.079167 True native_MD 7 47 82 CD1_TTR_6 CZ_TTR_10 1 7.161762e-04 1.290209e-06 ; 3.488243e-01 9.938476e-02 0.006078 0.032214 0.001369 0.079167 True native_MD 7 47 83 - CD1_TTR_6 OH_TTR_10 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 47 84 - CD1_TTR_6 C_TTR_10 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 47 85 + CD1_TTR_6 OH_TTR_10 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 47 84 + CD1_TTR_6 C_TTR_10 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 47 85 CD1_TTR_6 O_TTR_10 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 47 86 - CD1_TTR_6 N_TTR_11 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 47 87 + CD1_TTR_6 N_TTR_11 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 47 87 CD1_TTR_6 CA_TTR_11 1 1.866247e-03 6.829136e-06 ; 3.925540e-01 1.275007e-01 0.025297 0.011129 0.001369 0.014251 True native_MD 7 47 89 CD1_TTR_6 CB_TTR_11 1 1.005883e-03 1.938613e-06 ; 3.527692e-01 1.304799e-01 0.029424 0.012589 0.001369 0.019596 True native_MD 7 47 90 - CD1_TTR_6 OG_TTR_11 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 47 91 - CD1_TTR_6 C_TTR_11 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 47 92 + CD1_TTR_6 OG_TTR_11 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 47 91 + CD1_TTR_6 C_TTR_11 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 47 92 CD1_TTR_6 O1_TTR_11 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 47 93 CD1_TTR_6 O2_TTR_11 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 47 94 CD2_TTR_6 CD2_TTR_6 1 6.038566e-03 3.143890e-05 ; 4.163152e-01 2.899615e-01 0.999378 0.000000 0.028619 0.104186 False fibril 0 48 48 @@ -2375,22 +2375,22 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 CD2_TTR_6 CG_TTR_7 1 3.763993e-03 1.221348e-05 ; 3.847676e-01 2.900000e-01 1.000000 0.000000 0.028619 0.060347 False fibril 7 48 55 CD2_TTR_6 CD1_TTR_7 1 3.658466e-03 1.153955e-05 ; 3.829555e-01 2.899674e-01 0.999474 0.000000 0.028619 0.104186 False fibril 7 48 56 CD2_TTR_6 CD2_TTR_7 1 8.623715e-04 6.411074e-07 ; 3.009812e-01 2.900000e-01 1.000000 0.000000 0.028619 0.104186 False fibril 7 48 57 - CD2_TTR_6 C_TTR_7 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 48 58 + CD2_TTR_6 C_TTR_7 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 48 58 CD2_TTR_6 O_TTR_7 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 48 59 - CD2_TTR_6 N_TTR_8 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 48 60 + CD2_TTR_6 N_TTR_8 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 48 60 CD2_TTR_6 CA_TTR_8 1 2.343373e-03 1.252222e-05 ; 4.181255e-01 1.096330e-01 0.041017 0.057187 0.001369 0.014251 True native_MD 7 48 62 CD2_TTR_6 CB_TTR_8 1 1.347863e-03 3.730414e-06 ; 3.747013e-01 1.217516e-01 0.036510 0.037856 0.001369 0.019596 True native_MD 7 48 63 - CD2_TTR_6 OG_TTR_8 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 48 64 - CD2_TTR_6 C_TTR_8 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 48 65 + CD2_TTR_6 OG_TTR_8 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 48 64 + CD2_TTR_6 C_TTR_8 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 48 65 CD2_TTR_6 O_TTR_8 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 48 66 - CD2_TTR_6 N_TTR_9 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 48 67 + CD2_TTR_6 N_TTR_9 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 48 67 CD2_TTR_6 CA_TTR_9 1 1.040001e-03 3.152422e-06 ; 3.804244e-01 8.577552e-02 0.008801 0.041151 0.001369 0.014251 True native_MD 7 48 68 CD2_TTR_6 CB_TTR_9 1 9.020749e-04 2.291238e-06 ; 3.693782e-01 8.878818e-02 0.003551 0.012984 0.001369 0.019591 True native_MD 7 48 69 CD2_TTR_6 CG_TTR_9 1 9.856879e-04 2.683973e-06 ; 3.736857e-01 9.049835e-02 0.003873 0.014282 0.001369 0.019591 True native_MD 7 48 70 CD2_TTR_6 CD_TTR_9 1 1.304649e-03 4.183725e-06 ; 3.840121e-01 1.017102e-01 0.006839 0.015257 0.001369 0.019591 True native_MD 7 48 71 - CD2_TTR_6 C_TTR_9 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 48 72 + CD2_TTR_6 C_TTR_9 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 48 72 CD2_TTR_6 O_TTR_9 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 48 73 - CD2_TTR_6 N_TTR_10 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 48 74 + CD2_TTR_6 N_TTR_10 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 48 74 CD2_TTR_6 CA_TTR_10 1 1.323340e-03 4.601737e-06 ; 3.892319e-01 9.513956e-02 0.004901 0.009198 0.001369 0.014251 True native_MD 7 48 76 CD2_TTR_6 CB_TTR_10 1 9.648252e-04 2.662385e-06 ; 3.745160e-01 8.741106e-02 0.003312 0.010849 0.001369 0.019596 True native_MD 7 48 77 CD2_TTR_6 CG_TTR_10 1 8.171517e-04 2.222259e-06 ; 3.736073e-01 7.511915e-02 0.001775 0.009884 0.001369 0.079167 True native_MD 7 48 78 @@ -2399,14 +2399,14 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 CD2_TTR_6 CE1_TTR_10 1 4.655582e-04 6.409744e-07 ; 3.335373e-01 8.453709e-02 0.002862 0.023899 0.001369 0.079167 True native_MD 7 48 81 CD2_TTR_6 CE2_TTR_10 1 4.655582e-04 6.409744e-07 ; 3.335373e-01 8.453709e-02 0.002862 0.023899 0.001369 0.079167 True native_MD 7 48 82 CD2_TTR_6 CZ_TTR_10 1 6.414976e-04 1.224717e-06 ; 3.522141e-01 8.400291e-02 0.002786 0.027360 0.001369 0.079167 True native_MD 7 48 83 - CD2_TTR_6 OH_TTR_10 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 48 84 - CD2_TTR_6 C_TTR_10 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 48 85 + CD2_TTR_6 OH_TTR_10 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 48 84 + CD2_TTR_6 C_TTR_10 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 48 85 CD2_TTR_6 O_TTR_10 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 48 86 - CD2_TTR_6 N_TTR_11 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 48 87 + CD2_TTR_6 N_TTR_11 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 48 87 CD2_TTR_6 CA_TTR_11 1 2.269899e-03 1.115578e-05 ; 4.123338e-01 1.154657e-01 0.013740 0.007332 0.001369 0.014251 True native_MD 7 48 89 CD2_TTR_6 CB_TTR_11 1 1.091125e-03 2.482914e-06 ; 3.626724e-01 1.198747e-01 0.017183 0.008411 0.001369 0.019596 True native_MD 7 48 90 - CD2_TTR_6 OG_TTR_11 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 48 91 - CD2_TTR_6 C_TTR_11 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 48 92 + CD2_TTR_6 OG_TTR_11 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 48 91 + CD2_TTR_6 C_TTR_11 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 48 92 CD2_TTR_6 O1_TTR_11 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 48 93 CD2_TTR_6 O2_TTR_11 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 48 94 C_TTR_6 C_TTR_6 1 6.007538e-03 3.111386e-05 ; 4.159517e-01 2.899874e-01 0.999796 0.000000 0.028619 0.064180 False fibril 0 49 49 @@ -2419,21 +2419,21 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 C_TTR_6 CD2_TTR_7 1 7.454961e-03 6.697539e-05 ; 4.559441e-01 2.074510e-01 0.263573 0.000000 0.028619 0.009238 False fibril 5 49 57 C_TTR_6 C_TTR_7 1 7.144346e-03 4.729656e-05 ; 4.333224e-01 2.697959e-01 0.721546 0.000000 0.028619 0.064180 False fibril 3 49 58 C_TTR_6 O_TTR_7 1 2.976307e-03 7.636615e-06 ; 3.700018e-01 2.899977e-01 0.999963 0.000000 0.028619 0.064181 False fibril 4 49 59 - C_TTR_6 CB_TTR_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 49 63 + C_TTR_6 CB_TTR_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 49 63 C_TTR_6 OG_TTR_8 1 8.428966e-04 1.502536e-06 ; 3.482104e-01 1.182126e-01 0.052543 0.057526 0.001369 0.017292 True native_MD 7 49 64 C_TTR_6 O_TTR_8 1 6.491683e-04 9.324323e-07 ; 3.359000e-01 1.129893e-01 0.092493 0.131980 0.001369 0.017292 True native_MD 7 49 66 C_TTR_6 N_TTR_9 1 1.098273e-03 3.703160e-06 ; 3.872371e-01 8.143073e-02 0.002445 0.007276 0.001369 0.017291 True native_MD 7 49 67 C_TTR_6 CA_TTR_9 1 2.711136e-03 2.314900e-05 ; 4.520955e-01 7.937988e-02 0.004973 0.017268 0.001369 0.007651 True native_MD 7 49 68 - C_TTR_6 CB_TTR_9 1 0.000000e+00 5.570103e-06 ; 4.962397e-06 -5.570103e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 49 69 - C_TTR_6 CG_TTR_9 1 0.000000e+00 5.570103e-06 ; 4.962397e-06 -5.570103e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 49 70 - C_TTR_6 CD_TTR_9 1 0.000000e+00 5.570103e-06 ; 4.962397e-06 -5.570103e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 49 71 - C_TTR_6 CB_TTR_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 49 77 + C_TTR_6 CB_TTR_9 1 0.000000e+00 5.570011e-06 ; 4.962315e-06 -5.570011e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 49 69 + C_TTR_6 CG_TTR_9 1 0.000000e+00 5.570011e-06 ; 4.962315e-06 -5.570011e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 49 70 + C_TTR_6 CD_TTR_9 1 0.000000e+00 5.570011e-06 ; 4.962315e-06 -5.570011e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 49 71 + C_TTR_6 CB_TTR_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 49 77 C_TTR_6 CE1_TTR_10 1 9.627760e-04 2.875749e-06 ; 3.794935e-01 8.058228e-02 0.002342 0.004115 0.001369 0.035465 True native_MD 7 49 81 C_TTR_6 CE2_TTR_10 1 9.627760e-04 2.875749e-06 ; 3.794935e-01 8.058228e-02 0.002342 0.004115 0.001369 0.035465 True native_MD 7 49 82 C_TTR_6 CZ_TTR_10 1 1.403574e-03 6.149079e-06 ; 4.045099e-01 8.009407e-02 0.002285 0.005561 0.001369 0.035465 True native_MD 7 49 83 C_TTR_6 OH_TTR_10 1 3.843503e-04 4.342218e-07 ; 3.227236e-01 8.505166e-02 0.002938 0.009580 0.001369 0.017292 True native_MD 7 49 84 C_TTR_6 CA_TTR_11 1 3.923641e-03 3.226304e-05 ; 4.492651e-01 1.192925e-01 0.016683 0.000039 0.001369 0.007651 True native_MD 7 49 89 - C_TTR_6 CB_TTR_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 49 90 + C_TTR_6 CB_TTR_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 49 90 C_TTR_6 OG_TTR_11 1 4.599397e-04 4.214429e-07 ; 3.116542e-01 1.254883e-01 0.022843 0.001272 0.001369 0.017292 True native_MD 7 49 91 C_TTR_6 C_TTR_11 1 8.983764e-04 2.122879e-06 ; 3.649593e-01 9.504549e-02 0.004877 0.000100 0.001369 0.017291 True native_MD 7 49 92 C_TTR_6 O1_TTR_11 1 2.343272e-04 1.522398e-07 ; 2.942959e-01 9.016902e-02 0.003809 0.000100 0.001369 0.017292 True native_MD 7 49 93 @@ -2478,19 +2478,19 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 N_TTR_7 CB_TTR_7 1 7.364785e-03 5.212507e-05 ; 4.381752e-01 2.601438e-01 0.617380 0.000000 0.028619 0.009238 False fibril 2 51 54 N_TTR_7 CG_TTR_7 1 7.565071e-03 4.933769e-05 ; 4.322427e-01 2.899927e-01 0.999883 0.000000 0.028619 0.009238 False fibril 3 51 55 N_TTR_7 CD1_TTR_7 1 5.923936e-03 3.588922e-05 ; 4.269650e-01 2.444538e-01 0.479163 0.000000 0.028619 0.009238 False fibril 4 51 56 - N_TTR_7 CD2_TTR_7 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 51 57 + N_TTR_7 CD2_TTR_7 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 51 57 N_TTR_7 O_TTR_7 1 2.345958e-03 4.744802e-06 ; 3.556174e-01 2.899763e-01 0.999618 0.000000 0.028619 0.064181 False fibril 3 51 59 N_TTR_7 N_TTR_8 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 3 51 60 - N_TTR_7 CB_TTR_8 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 51 63 + N_TTR_7 CB_TTR_8 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 51 63 N_TTR_7 N_TTR_9 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 6 51 67 - N_TTR_7 CB_TTR_9 1 0.000000e+00 3.232756e-06 ; 2.880058e-06 -3.232756e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 51 69 - N_TTR_7 CG_TTR_9 1 0.000000e+00 3.232756e-06 ; 2.880058e-06 -3.232756e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 51 70 - N_TTR_7 CD_TTR_9 1 0.000000e+00 3.232756e-06 ; 2.880058e-06 -3.232756e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 51 71 + N_TTR_7 CB_TTR_9 1 0.000000e+00 3.232715e-06 ; 2.880021e-06 -3.232715e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 51 69 + N_TTR_7 CG_TTR_9 1 0.000000e+00 3.232715e-06 ; 2.880021e-06 -3.232715e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 51 70 + N_TTR_7 CD_TTR_9 1 0.000000e+00 3.232715e-06 ; 2.880021e-06 -3.232715e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 51 71 N_TTR_7 N_TTR_10 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 7 51 74 - N_TTR_7 CB_TTR_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 51 77 + N_TTR_7 CB_TTR_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 51 77 N_TTR_7 N_TTR_11 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 7 51 87 N_TTR_7 CA_TTR_11 1 2.655467e-03 2.340169e-05 ; 4.544831e-01 7.533115e-02 0.001795 0.000000 0.001369 0.007651 True native_MD 7 51 89 - N_TTR_7 CB_TTR_11 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 51 90 + N_TTR_7 CB_TTR_11 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 51 90 N_TTR_7 OG_TTR_11 1 2.227782e-04 1.224041e-07 ; 2.861896e-01 1.013653e-01 0.006720 0.000007 0.001369 0.017292 True native_MD 7 51 91 N_TTR_7 O1_TTR_11 1 2.284157e-04 1.601778e-07 ; 2.980662e-01 8.143097e-02 0.002445 0.000000 0.001369 0.017292 True native_MD 7 51 93 N_TTR_7 O2_TTR_11 1 2.284157e-04 1.601778e-07 ; 2.980662e-01 8.143097e-02 0.002445 0.000000 0.001369 0.017292 True native_MD 7 51 94 @@ -2537,144 +2537,144 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 CB_TTR_7 CD2_TTR_7 1 1.260575e-02 1.369870e-04 ; 4.706360e-01 2.900000e-01 1.000000 0.000000 0.028619 0.066790 False fibril 2 54 57 CB_TTR_7 C_TTR_7 1 6.334457e-03 3.459161e-05 ; 4.196400e-01 2.899933e-01 0.999892 0.000000 0.028619 0.009238 False fibril 2 54 58 CB_TTR_7 O_TTR_7 1 1.315538e-03 1.491932e-06 ; 3.229294e-01 2.900000e-01 1.000000 0.000000 0.028619 0.046463 False fibril 3 54 59 - CB_TTR_7 N_TTR_8 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 54 60 + CB_TTR_7 N_TTR_8 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 54 60 CB_TTR_7 CA_TTR_8 1 1.903484e-02 4.660949e-04 ; 5.388743e-01 1.943409e-01 0.213271 0.000000 0.028619 0.042764 False fibril 4 54 62 - CB_TTR_7 OG_TTR_8 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 54 64 - CB_TTR_7 C_TTR_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 54 65 + CB_TTR_7 OG_TTR_8 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 54 64 + CB_TTR_7 C_TTR_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 54 65 CB_TTR_7 O_TTR_8 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000 0.000000 0.028619 0.046463 False fibril 6 54 66 - CB_TTR_7 N_TTR_9 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 54 67 + CB_TTR_7 N_TTR_9 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 54 67 CB_TTR_7 CA_TTR_9 1 8.109856e-03 1.559857e-04 ; 5.176211e-01 1.054099e-01 0.037054 0.021704 0.001369 0.004833 True native_MD 7 54 68 CB_TTR_7 CB_TTR_9 1 3.631791e-03 3.790801e-05 ; 4.674857e-01 8.698625e-02 0.003241 0.001135 0.001369 0.006267 True native_MD 7 54 69 CB_TTR_7 CG_TTR_9 1 2.316034e-03 1.440841e-05 ; 4.288564e-01 9.307087e-02 0.008023 0.011395 0.001369 0.006267 True native_MD 7 54 70 CB_TTR_7 CD_TTR_9 1 1.699816e-02 2.595245e-04 ; 4.980765e-01 2.783335e-01 0.828241 0.000000 0.028619 0.046453 False fibril 7 54 71 - CB_TTR_7 C_TTR_9 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 54 72 + CB_TTR_7 C_TTR_9 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 54 72 CB_TTR_7 O_TTR_9 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000 0.000000 0.028619 0.046463 False fibril 7 54 73 - CB_TTR_7 N_TTR_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 54 74 + CB_TTR_7 N_TTR_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 54 74 CB_TTR_7 CD1_TTR_10 1 1.669566e-03 9.912124e-06 ; 4.255271e-01 7.030404e-02 0.001391 0.001143 0.001369 0.019598 True native_MD 7 54 79 CB_TTR_7 CD2_TTR_10 1 1.669566e-03 9.912124e-06 ; 4.255271e-01 7.030404e-02 0.001391 0.001143 0.001369 0.019598 True native_MD 7 54 80 CB_TTR_7 CE1_TTR_10 1 1.501701e-03 5.563223e-06 ; 3.933603e-01 1.013398e-01 0.006712 0.007563 0.001369 0.019598 True native_MD 7 54 81 CB_TTR_7 CE2_TTR_10 1 1.501701e-03 5.563223e-06 ; 3.933603e-01 1.013398e-01 0.006712 0.007563 0.001369 0.019598 True native_MD 7 54 82 CB_TTR_7 CZ_TTR_10 1 2.014356e-03 9.356998e-06 ; 4.084762e-01 1.084116e-01 0.009607 0.010330 0.001369 0.019598 True native_MD 7 54 83 - CB_TTR_7 OH_TTR_10 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 54 84 - CB_TTR_7 C_TTR_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 54 85 + CB_TTR_7 OH_TTR_10 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 54 84 + CB_TTR_7 C_TTR_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 54 85 CB_TTR_7 O_TTR_10 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000 0.000000 0.028619 0.046463 False fibril 7 54 86 - CB_TTR_7 N_TTR_11 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 54 87 + CB_TTR_7 N_TTR_11 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 54 87 CB_TTR_7 CA_TTR_11 1 5.605190e-03 5.533042e-05 ; 4.631578e-01 1.419570e-01 0.052662 0.000669 0.001369 0.004833 True native_MD 7 54 89 CB_TTR_7 CB_TTR_11 1 1.322783e-03 2.965005e-06 ; 3.617619e-01 1.475338e-01 0.069878 0.003196 0.001369 0.006268 True native_MD 7 54 90 - CB_TTR_7 OG_TTR_11 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 54 91 - CB_TTR_7 C_TTR_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 54 92 - CB_TTR_7 O1_TTR_11 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 54 93 - CB_TTR_7 O2_TTR_11 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 54 94 + CB_TTR_7 OG_TTR_11 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 54 91 + CB_TTR_7 C_TTR_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 54 92 + CB_TTR_7 O1_TTR_11 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 54 93 + CB_TTR_7 O2_TTR_11 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 54 94 CG_TTR_7 CG_TTR_7 1 6.018307e-03 3.122416e-05 ; 4.160729e-01 2.900000e-01 1.000000 0.000000 0.028619 0.039532 False fibril 0 55 55 CG_TTR_7 CD1_TTR_7 1 2.814191e-03 6.827436e-06 ; 3.665647e-01 2.899943e-01 0.999909 0.000000 0.028619 0.060347 False fibril 1 55 56 CG_TTR_7 CD2_TTR_7 1 2.685726e-03 6.218212e-06 ; 3.637201e-01 2.900000e-01 1.000000 0.000000 0.028619 0.060347 False fibril 1 55 57 CG_TTR_7 C_TTR_7 1 1.403747e-02 2.078871e-04 ; 4.955526e-01 2.369683e-01 0.424591 0.000000 0.028619 0.009238 False fibril 3 55 58 CG_TTR_7 O_TTR_7 1 8.040582e-03 6.189108e-05 ; 4.443482e-01 2.611481e-01 0.627477 0.000000 0.028619 0.046463 False fibril 4 55 59 - CG_TTR_7 N_TTR_8 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 55 60 - CG_TTR_7 OG_TTR_8 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 55 64 - CG_TTR_7 C_TTR_8 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 55 65 + CG_TTR_7 N_TTR_8 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 55 60 + CG_TTR_7 OG_TTR_8 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 55 64 + CG_TTR_7 C_TTR_8 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 55 65 CG_TTR_7 O_TTR_8 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000 0.000000 0.028619 0.046463 False fibril 7 55 66 - CG_TTR_7 N_TTR_9 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 55 67 + CG_TTR_7 N_TTR_9 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 55 67 CG_TTR_7 CA_TTR_9 1 6.356618e-03 9.982864e-05 ; 5.004240e-01 1.011899e-01 0.091759 0.052018 0.001369 0.003776 True native_MD 7 55 68 CG_TTR_7 CB_TTR_9 1 1.869923e-03 8.807501e-06 ; 4.094223e-01 9.925096e-02 0.006037 0.004250 0.001369 0.004832 True native_MD 7 55 69 CG_TTR_7 CG_TTR_9 1 1.317013e-03 5.567696e-06 ; 4.021125e-01 7.788340e-02 0.006890 0.016299 0.001369 0.004832 True native_MD 7 55 70 CG_TTR_7 CD_TTR_9 1 1.284567e-03 5.390800e-06 ; 4.016207e-01 7.652443e-02 0.020361 0.051602 0.001369 0.004832 True native_MD 7 55 71 - CG_TTR_7 C_TTR_9 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 55 72 + CG_TTR_7 C_TTR_9 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 55 72 CG_TTR_7 O_TTR_9 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000 0.000000 0.028619 0.046463 False fibril 7 55 73 - CG_TTR_7 N_TTR_10 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 55 74 + CG_TTR_7 N_TTR_10 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 55 74 CG_TTR_7 CD1_TTR_10 1 1.807359e-03 8.631874e-06 ; 4.103711e-01 9.460709e-02 0.004770 0.002948 0.001369 0.014253 True native_MD 7 55 79 CG_TTR_7 CD2_TTR_10 1 1.807359e-03 8.631874e-06 ; 4.103711e-01 9.460709e-02 0.004770 0.002948 0.001369 0.014253 True native_MD 7 55 80 CG_TTR_7 CE1_TTR_10 1 2.003373e-03 8.838342e-06 ; 4.049812e-01 1.135253e-01 0.012452 0.011192 0.001369 0.014253 True native_MD 7 55 81 CG_TTR_7 CE2_TTR_10 1 2.003373e-03 8.838342e-06 ; 4.049812e-01 1.135253e-01 0.012452 0.011192 0.001369 0.014253 True native_MD 7 55 82 CG_TTR_7 CZ_TTR_10 1 3.361022e-03 2.357636e-05 ; 4.375230e-01 1.197859e-01 0.018843 0.015700 0.001369 0.014253 True native_MD 7 55 83 - CG_TTR_7 OH_TTR_10 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 55 84 - CG_TTR_7 C_TTR_10 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 55 85 + CG_TTR_7 OH_TTR_10 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 55 84 + CG_TTR_7 C_TTR_10 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 55 85 CG_TTR_7 O_TTR_10 1 1.063450e-03 2.827313e-06 ; 3.721998e-01 1.000001e-01 0.000000 0.000000 0.028619 0.046463 False fibril 7 55 86 - CG_TTR_7 N_TTR_11 1 0.000000e+00 7.574995e-06 ; 6.748553e-06 -7.574995e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 55 87 + CG_TTR_7 N_TTR_11 1 0.000000e+00 7.574983e-06 ; 6.748543e-06 -7.574983e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 55 87 CG_TTR_7 CA_TTR_11 1 8.000788e-03 1.112648e-04 ; 4.903854e-01 1.438294e-01 0.057909 0.002406 0.001369 0.003776 True native_MD 7 55 89 CG_TTR_7 CB_TTR_11 1 2.181897e-03 7.983865e-06 ; 3.925514e-01 1.490718e-01 0.075547 0.004734 0.001369 0.004833 True native_MD 7 55 90 - CG_TTR_7 OG_TTR_11 1 0.000000e+00 5.735738e-06 ; 5.109962e-06 -5.735738e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 55 91 - CG_TTR_7 C_TTR_11 1 0.000000e+00 1.305186e-05 ; 1.162789e-05 -1.305186e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 55 92 - CG_TTR_7 O1_TTR_11 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 55 93 - CG_TTR_7 O2_TTR_11 1 0.000000e+00 3.362209e-06 ; 2.995388e-06 -3.362209e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 55 94 + CG_TTR_7 OG_TTR_11 1 0.000000e+00 5.735719e-06 ; 5.109944e-06 -5.735719e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 55 91 + CG_TTR_7 C_TTR_11 1 0.000000e+00 1.305180e-05 ; 1.162783e-05 -1.305180e-05 1.000000 1.000000 1.000000 1.000000 False mg 7 55 92 + CG_TTR_7 O1_TTR_11 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 55 93 + CG_TTR_7 O2_TTR_11 1 0.000000e+00 3.362237e-06 ; 2.995412e-06 -3.362237e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 55 94 CD1_TTR_7 CD1_TTR_7 1 6.003091e-03 3.106647e-05 ; 4.158974e-01 2.900000e-01 1.000000 0.000000 0.028619 0.104186 False fibril 0 56 56 CD1_TTR_7 CD2_TTR_7 1 7.516155e-04 4.870050e-07 ; 2.941641e-01 2.900000e-01 1.000000 0.000000 0.028619 0.104186 False fibril 2 56 57 - CD1_TTR_7 C_TTR_7 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 56 58 + CD1_TTR_7 C_TTR_7 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 56 58 CD1_TTR_7 O_TTR_7 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 56 59 - CD1_TTR_7 N_TTR_8 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 56 60 + CD1_TTR_7 N_TTR_8 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 56 60 CD1_TTR_7 CB_TTR_8 1 3.908060e-03 2.693686e-05 ; 4.362455e-01 1.417476e-01 0.060224 0.022649 0.001369 0.019596 True native_MD 7 56 63 - CD1_TTR_7 OG_TTR_8 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 56 64 - CD1_TTR_7 C_TTR_8 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 56 65 + CD1_TTR_7 OG_TTR_8 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 56 64 + CD1_TTR_7 C_TTR_8 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 56 65 CD1_TTR_7 O_TTR_8 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 56 66 - CD1_TTR_7 N_TTR_9 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 56 67 + CD1_TTR_7 N_TTR_9 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 56 67 CD1_TTR_7 CA_TTR_9 1 2.305723e-03 1.105011e-05 ; 4.106072e-01 1.202784e-01 0.017538 0.009754 0.001369 0.014251 True native_MD 7 56 68 CD1_TTR_7 CB_TTR_9 1 1.591117e-03 7.537555e-06 ; 4.098152e-01 8.396801e-02 0.002781 0.001557 0.001369 0.019591 True native_MD 7 56 69 CD1_TTR_7 CG_TTR_9 1 1.212310e-03 4.393236e-06 ; 3.919179e-01 8.363403e-02 0.002734 0.004093 0.001369 0.019591 True native_MD 7 56 70 CD1_TTR_7 CD_TTR_9 1 1.370190e-03 4.842385e-06 ; 3.902831e-01 9.692639e-02 0.005366 0.011407 0.001369 0.019591 True native_MD 7 56 71 - CD1_TTR_7 C_TTR_9 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 56 72 + CD1_TTR_7 C_TTR_9 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 56 72 CD1_TTR_7 O_TTR_9 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 56 73 - CD1_TTR_7 N_TTR_10 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 56 74 + CD1_TTR_7 N_TTR_10 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 56 74 CD1_TTR_7 CD1_TTR_10 1 1.224100e-03 4.135520e-06 ; 3.873637e-01 9.058238e-02 0.003889 0.001489 0.001369 0.079167 True native_MD 7 56 79 CD1_TTR_7 CD2_TTR_10 1 1.224100e-03 4.135520e-06 ; 3.873637e-01 9.058238e-02 0.003889 0.001489 0.001369 0.079167 True native_MD 7 56 80 CD1_TTR_7 CE1_TTR_10 1 9.876289e-04 2.184225e-06 ; 3.609530e-01 1.116426e-01 0.011318 0.009012 0.001369 0.079167 True native_MD 7 56 81 CD1_TTR_7 CE2_TTR_10 1 9.876289e-04 2.184225e-06 ; 3.609530e-01 1.116426e-01 0.011318 0.009012 0.001369 0.079167 True native_MD 7 56 82 CD1_TTR_7 CZ_TTR_10 1 1.212686e-03 3.081470e-06 ; 3.694040e-01 1.193104e-01 0.016698 0.012653 0.001369 0.079167 True native_MD 7 56 83 - CD1_TTR_7 OH_TTR_10 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 56 84 - CD1_TTR_7 C_TTR_10 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 56 85 + CD1_TTR_7 OH_TTR_10 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 56 84 + CD1_TTR_7 C_TTR_10 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 56 85 CD1_TTR_7 O_TTR_10 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 56 86 - CD1_TTR_7 N_TTR_11 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 56 87 + CD1_TTR_7 N_TTR_11 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 56 87 CD1_TTR_7 CA_TTR_11 1 3.940982e-03 2.871906e-05 ; 4.403124e-01 1.352007e-01 0.037384 0.001367 0.001369 0.014251 True native_MD 7 56 89 CD1_TTR_7 CB_TTR_11 1 1.094822e-03 2.085302e-06 ; 3.520769e-01 1.437004e-01 0.057531 0.003160 0.001369 0.019596 True native_MD 7 56 90 - CD1_TTR_7 OG_TTR_11 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 56 91 - CD1_TTR_7 C_TTR_11 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 56 92 + CD1_TTR_7 OG_TTR_11 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 56 91 + CD1_TTR_7 C_TTR_11 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 56 92 CD1_TTR_7 O1_TTR_11 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 56 93 CD1_TTR_7 O2_TTR_11 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 56 94 CD2_TTR_7 CD2_TTR_7 1 6.003400e-03 3.106967e-05 ; 4.159009e-01 2.900000e-01 1.000000 0.000000 0.028619 0.104186 False fibril 0 57 57 - CD2_TTR_7 C_TTR_7 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 57 58 + CD2_TTR_7 C_TTR_7 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 57 58 CD2_TTR_7 O_TTR_7 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 57 59 - CD2_TTR_7 N_TTR_8 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 57 60 + CD2_TTR_7 N_TTR_8 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 57 60 CD2_TTR_7 CB_TTR_8 1 1.996728e-03 9.422460e-06 ; 4.095506e-01 1.057824e-01 0.012223 0.028488 0.001369 0.019596 True native_MD 7 57 63 - CD2_TTR_7 OG_TTR_8 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 57 64 - CD2_TTR_7 C_TTR_8 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 57 65 + CD2_TTR_7 OG_TTR_8 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 57 64 + CD2_TTR_7 C_TTR_8 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 57 65 CD2_TTR_7 O_TTR_8 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 57 66 - CD2_TTR_7 N_TTR_9 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 57 67 + CD2_TTR_7 N_TTR_9 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 57 67 CD2_TTR_7 CA_TTR_9 1 2.826856e-03 1.715738e-05 ; 4.270951e-01 1.164385e-01 0.014435 0.010330 0.001369 0.014251 True native_MD 7 57 68 CD2_TTR_7 CB_TTR_9 1 1.079924e-03 3.186606e-06 ; 3.787237e-01 9.149521e-02 0.004074 0.002023 0.001369 0.019591 True native_MD 7 57 69 CD2_TTR_7 CG_TTR_9 1 9.976302e-04 2.650071e-06 ; 3.721471e-01 9.389052e-02 0.004600 0.006807 0.001369 0.019591 True native_MD 7 57 70 CD2_TTR_7 CD_TTR_9 1 1.283746e-03 4.094793e-06 ; 3.836709e-01 1.006157e-01 0.006470 0.013269 0.001369 0.019591 True native_MD 7 57 71 - CD2_TTR_7 C_TTR_9 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 57 72 + CD2_TTR_7 C_TTR_9 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 57 72 CD2_TTR_7 O_TTR_9 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 57 73 - CD2_TTR_7 N_TTR_10 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 57 74 + CD2_TTR_7 N_TTR_10 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 57 74 CD2_TTR_7 CD1_TTR_10 1 7.621270e-04 1.667938e-06 ; 3.603231e-01 8.705921e-02 0.003253 0.001523 0.001369 0.079167 True native_MD 7 57 79 CD2_TTR_7 CD2_TTR_10 1 7.621270e-04 1.667938e-06 ; 3.603231e-01 8.705921e-02 0.003253 0.001523 0.001369 0.079167 True native_MD 7 57 80 CD2_TTR_7 CE1_TTR_10 1 7.831237e-04 1.435950e-06 ; 3.498524e-01 1.067730e-01 0.008841 0.009079 0.001369 0.079167 True native_MD 7 57 81 CD2_TTR_7 CE2_TTR_10 1 7.831237e-04 1.435950e-06 ; 3.498524e-01 1.067730e-01 0.008841 0.009079 0.001369 0.079167 True native_MD 7 57 82 CD2_TTR_7 CZ_TTR_10 1 1.011783e-03 2.248868e-06 ; 3.612541e-01 1.138022e-01 0.012628 0.012028 0.001369 0.079167 True native_MD 7 57 83 - CD2_TTR_7 OH_TTR_10 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 57 84 - CD2_TTR_7 C_TTR_10 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 57 85 + CD2_TTR_7 OH_TTR_10 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 57 84 + CD2_TTR_7 C_TTR_10 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 57 85 CD2_TTR_7 O_TTR_10 1 4.427906e-04 4.901589e-07 ; 3.216299e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 57 86 - CD2_TTR_7 N_TTR_11 1 0.000000e+00 2.742926e-06 ; 2.443669e-06 -2.742926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 57 87 + CD2_TTR_7 N_TTR_11 1 0.000000e+00 2.742900e-06 ; 2.443646e-06 -2.742900e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 57 87 CD2_TTR_7 CA_TTR_11 1 3.978035e-03 2.965307e-05 ; 4.419775e-01 1.334159e-01 0.034148 0.001289 0.001369 0.014251 True native_MD 7 57 89 CD2_TTR_7 CB_TTR_11 1 1.196046e-03 2.491390e-06 ; 3.573680e-01 1.435470e-01 0.057085 0.002569 0.001369 0.019596 True native_MD 7 57 90 - CD2_TTR_7 OG_TTR_11 1 0.000000e+00 2.076926e-06 ; 1.850331e-06 -2.076926e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 57 91 - CD2_TTR_7 C_TTR_11 1 0.000000e+00 4.726116e-06 ; 4.210490e-06 -4.726116e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 57 92 + CD2_TTR_7 OG_TTR_11 1 0.000000e+00 2.076903e-06 ; 1.850310e-06 -2.076903e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 57 91 + CD2_TTR_7 C_TTR_11 1 0.000000e+00 4.726054e-06 ; 4.210435e-06 -4.726054e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 57 92 CD2_TTR_7 O1_TTR_11 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 57 93 CD2_TTR_7 O2_TTR_11 1 0.000000e+00 1.217465e-06 ; 1.084638e-06 -1.217465e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 57 94 C_TTR_7 C_TTR_7 1 6.010481e-03 3.114551e-05 ; 4.159882e-01 2.899766e-01 0.999622 0.000000 0.028619 0.064180 False fibril 0 58 58 C_TTR_7 O_TTR_7 1 9.535699e-04 7.838755e-07 ; 3.060665e-01 2.900000e-01 1.000000 0.000000 0.028619 0.064181 False fibril 1 58 59 C_TTR_7 N_TTR_8 1 2.738170e-03 6.463428e-06 ; 3.648943e-01 2.900000e-01 1.000000 0.000000 0.028619 0.064181 False fibril 1 58 60 C_TTR_7 CA_TTR_8 1 1.215159e-02 1.272966e-04 ; 4.677682e-01 2.899940e-01 0.999904 0.000000 0.028619 0.049502 False fibril 2 58 62 - C_TTR_7 CB_TTR_8 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 58 63 - C_TTR_7 CB_TTR_9 1 0.000000e+00 5.570103e-06 ; 4.962397e-06 -5.570103e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 58 69 - C_TTR_7 CG_TTR_9 1 0.000000e+00 5.570103e-06 ; 4.962397e-06 -5.570103e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 58 70 + C_TTR_7 CB_TTR_8 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 58 63 + C_TTR_7 CB_TTR_9 1 0.000000e+00 5.570011e-06 ; 4.962315e-06 -5.570011e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 58 69 + C_TTR_7 CG_TTR_9 1 0.000000e+00 5.570011e-06 ; 4.962315e-06 -5.570011e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 58 70 C_TTR_7 CD_TTR_9 1 6.513232e-03 6.827994e-05 ; 4.678243e-01 1.553245e-01 0.113559 0.000000 0.028619 0.009238 False fibril 5 58 71 - C_TTR_7 CB_TTR_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 58 77 + C_TTR_7 CB_TTR_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 58 77 C_TTR_7 CE1_TTR_10 1 1.062050e-03 3.807015e-06 ; 3.912070e-01 7.407051e-02 0.001683 0.002821 0.001369 0.035465 True native_MD 7 58 81 C_TTR_7 CE2_TTR_10 1 1.062050e-03 3.807015e-06 ; 3.912070e-01 7.407051e-02 0.001683 0.002821 0.001369 0.035465 True native_MD 7 58 82 C_TTR_7 CZ_TTR_10 1 1.411025e-03 6.373176e-06 ; 4.065714e-01 7.810046e-02 0.002065 0.002348 0.001369 0.035465 True native_MD 7 58 83 C_TTR_7 OH_TTR_10 1 5.895567e-04 1.125417e-06 ; 3.522070e-01 7.721073e-02 0.001974 0.002849 0.001369 0.017292 True native_MD 7 58 84 C_TTR_7 CA_TTR_11 1 5.527576e-03 6.587624e-05 ; 4.779315e-01 1.159526e-01 0.014083 0.000237 0.001369 0.007651 True native_MD 7 58 89 - C_TTR_7 CB_TTR_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 58 90 + C_TTR_7 CB_TTR_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 58 90 C_TTR_7 OG_TTR_11 1 6.833962e-04 8.490807e-07 ; 3.278783e-01 1.375106e-01 0.042030 0.000718 0.001369 0.017292 True native_MD 7 58 91 C_TTR_7 C_TTR_11 1 1.662593e-03 7.615994e-06 ; 4.075274e-01 9.073718e-02 0.003920 0.000002 0.001369 0.017291 True native_MD 7 58 92 C_TTR_7 O1_TTR_11 1 4.615288e-04 5.573387e-07 ; 3.263273e-01 9.554731e-02 0.005003 0.000030 0.001369 0.017292 True native_MD 7 58 93 @@ -2704,11 +2704,11 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 N_TTR_8 CB_TTR_8 1 6.704133e-03 3.879930e-05 ; 4.237212e-01 2.896018e-01 0.993588 0.000000 0.028619 0.009238 False fibril 2 60 63 N_TTR_8 OG_TTR_8 1 2.726584e-03 7.415315e-06 ; 3.736100e-01 2.506388e-01 0.529508 0.000000 0.028619 0.064181 False fibril 3 60 64 N_TTR_8 N_TTR_9 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 3 60 67 - N_TTR_8 CB_TTR_9 1 0.000000e+00 3.232756e-06 ; 2.880058e-06 -3.232756e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 60 69 - N_TTR_8 CG_TTR_9 1 0.000000e+00 3.232756e-06 ; 2.880058e-06 -3.232756e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 60 70 + N_TTR_8 CB_TTR_9 1 0.000000e+00 3.232715e-06 ; 2.880021e-06 -3.232715e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 60 69 + N_TTR_8 CG_TTR_9 1 0.000000e+00 3.232715e-06 ; 2.880021e-06 -3.232715e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 60 70 N_TTR_8 CD_TTR_9 1 5.565027e-03 2.673313e-05 ; 4.107685e-01 2.896175e-01 0.993840 0.000000 0.028619 0.009238 False fibril 4 60 71 N_TTR_8 N_TTR_10 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 6 60 74 - N_TTR_8 CB_TTR_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 60 77 + N_TTR_8 CB_TTR_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 60 77 N_TTR_8 CE1_TTR_10 1 5.279927e-04 6.896376e-07 ; 3.306223e-01 1.010590e-01 0.006617 0.007692 0.001369 0.035466 True native_MD 7 60 81 N_TTR_8 CE2_TTR_10 1 5.279927e-04 6.896376e-07 ; 3.306223e-01 1.010590e-01 0.006617 0.007692 0.001369 0.035466 True native_MD 7 60 82 N_TTR_8 CZ_TTR_10 1 5.616656e-04 8.158671e-07 ; 3.365299e-01 9.666653e-02 0.005295 0.007044 0.001369 0.035466 True native_MD 7 60 83 @@ -2716,7 +2716,7 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 N_TTR_8 O_TTR_10 1 1.283707e-03 5.102287e-06 ; 3.980001e-01 8.074336e-02 0.002361 0.001045 0.001369 0.017292 True native_MD 7 60 86 N_TTR_8 N_TTR_11 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 7 60 87 N_TTR_8 CA_TTR_11 1 3.870948e-03 2.587696e-05 ; 4.340263e-01 1.447642e-01 0.060720 0.000990 0.001369 0.007651 True native_MD 7 60 89 - N_TTR_8 CB_TTR_11 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 60 90 + N_TTR_8 CB_TTR_11 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 60 90 N_TTR_8 OG_TTR_11 1 2.554254e-04 1.085617e-07 ; 2.742008e-01 1.502422e-01 0.080167 0.004104 0.001369 0.017292 True native_MD 7 60 91 N_TTR_8 C_TTR_11 1 9.647211e-04 2.139225e-06 ; 3.611124e-01 1.087645e-01 0.009781 0.000199 0.001369 0.017291 True native_MD 7 60 92 N_TTR_8 O1_TTR_11 1 1.967504e-04 8.462937e-08 ; 2.747478e-01 1.143537e-01 0.012986 0.002519 0.001369 0.017292 True native_MD 7 60 93 @@ -2763,12 +2763,12 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 CB_TTR_8 OG_TTR_8 1 3.168455e-03 8.655578e-06 ; 3.738879e-01 2.899605e-01 0.999363 0.000000 0.028619 0.009238 False fibril 1 63 64 CB_TTR_8 C_TTR_8 1 6.884265e-03 4.085612e-05 ; 4.255004e-01 2.900000e-01 1.000000 0.000000 0.028619 0.009238 False fibril 2 63 65 CB_TTR_8 O_TTR_8 1 3.152309e-03 8.566633e-06 ; 3.735627e-01 2.899930e-01 0.999887 0.000000 0.028619 0.046463 False fibril 3 63 66 - CB_TTR_8 N_TTR_9 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 63 67 + CB_TTR_8 N_TTR_9 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 63 67 CB_TTR_8 CA_TTR_9 1 2.143059e-02 4.864390e-04 ; 5.321071e-01 2.360369e-01 0.418251 0.000000 0.028619 0.042764 False fibril 4 63 68 CB_TTR_8 CD_TTR_9 1 7.595753e-03 1.241871e-04 ; 5.037916e-01 1.161462e-01 0.060308 0.000000 0.028619 0.046453 False fibril 4 63 71 - CB_TTR_8 C_TTR_9 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 63 72 + CB_TTR_8 C_TTR_9 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 63 72 CB_TTR_8 O_TTR_9 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000 0.000000 0.028619 0.046463 False fibril 6 63 73 - CB_TTR_8 N_TTR_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 63 74 + CB_TTR_8 N_TTR_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 63 74 CB_TTR_8 CA_TTR_10 1 2.727406e-03 1.896085e-05 ; 4.368691e-01 9.808030e-02 0.295230 0.250789 0.001369 0.004833 True native_MD 7 63 76 CB_TTR_8 CB_TTR_10 1 2.668681e-03 1.567954e-05 ; 4.247885e-01 1.135534e-01 0.241719 0.121499 0.001369 0.006268 True native_MD 7 63 77 CB_TTR_8 CG_TTR_10 1 2.194603e-03 8.715288e-06 ; 3.979431e-01 1.381562e-01 0.113842 0.051374 0.001369 0.019598 True native_MD 7 63 78 @@ -2777,23 +2777,23 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 CB_TTR_8 CE1_TTR_10 1 6.222602e-04 8.174279e-07 ; 3.309377e-01 1.184226e-01 0.075715 0.092958 0.001369 0.019598 True native_MD 7 63 81 CB_TTR_8 CE2_TTR_10 1 6.222602e-04 8.174279e-07 ; 3.309377e-01 1.184226e-01 0.075715 0.092958 0.001369 0.019598 True native_MD 7 63 82 CB_TTR_8 CZ_TTR_10 1 5.667842e-04 6.937801e-07 ; 3.270650e-01 1.157587e-01 0.065569 0.092147 0.001369 0.019598 True native_MD 7 63 83 - CB_TTR_8 OH_TTR_10 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 63 84 - CB_TTR_8 C_TTR_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 63 85 + CB_TTR_8 OH_TTR_10 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 63 84 + CB_TTR_8 C_TTR_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 63 85 CB_TTR_8 O_TTR_10 1 5.672109e-04 8.043206e-07 ; 3.351821e-01 9.999999e-02 0.000000 0.000000 0.028619 0.046463 False fibril 7 63 86 - CB_TTR_8 N_TTR_11 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 63 87 + CB_TTR_8 N_TTR_11 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 63 87 CB_TTR_8 CA_TTR_11 1 2.473527e-03 1.417690e-05 ; 4.230361e-01 1.078927e-01 0.217529 0.112339 0.001369 0.004833 True native_MD 7 63 89 CB_TTR_8 CB_TTR_11 1 1.368428e-03 3.962479e-06 ; 3.775353e-01 1.181454e-01 0.197131 0.078500 0.001369 0.006268 True native_MD 7 63 90 - CB_TTR_8 OG_TTR_11 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 63 91 - CB_TTR_8 C_TTR_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 63 92 - CB_TTR_8 O1_TTR_11 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 63 93 - CB_TTR_8 O2_TTR_11 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 63 94 - OG_TTR_8 CB_TTR_9 1 0.000000e+00 2.447822e-06 ; 2.180762e-06 -2.447822e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 64 69 - OG_TTR_8 CG_TTR_9 1 0.000000e+00 2.447822e-06 ; 2.180762e-06 -2.447822e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 64 70 - OG_TTR_8 CD_TTR_9 1 0.000000e+00 2.447822e-06 ; 2.180762e-06 -2.447822e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 64 71 + CB_TTR_8 OG_TTR_11 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 63 91 + CB_TTR_8 C_TTR_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 63 92 + CB_TTR_8 O1_TTR_11 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 63 93 + CB_TTR_8 O2_TTR_11 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 63 94 + OG_TTR_8 CB_TTR_9 1 0.000000e+00 2.447787e-06 ; 2.180730e-06 -2.447787e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 64 69 + OG_TTR_8 CG_TTR_9 1 0.000000e+00 2.447787e-06 ; 2.180730e-06 -2.447787e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 64 70 + OG_TTR_8 CD_TTR_9 1 0.000000e+00 2.447787e-06 ; 2.180730e-06 -2.447787e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 64 71 OG_TTR_8 N_TTR_10 1 2.260152e-04 9.117779e-08 ; 2.718266e-01 1.400639e-01 0.241436 0.087266 0.001369 0.017292 True native_MD 7 64 74 OG_TTR_8 H_TTR_10 1 1.620212e-05 3.852439e-10 ; 1.695746e-01 1.703522e-01 0.222307 0.055238 0.001369 0.079189 True native_MD 7 64 75 OG_TTR_8 CA_TTR_10 1 6.807492e-04 9.615839e-07 ; 3.349654e-01 1.204834e-01 0.250147 0.107997 0.001369 0.007651 True native_MD 7 64 76 - OG_TTR_8 CB_TTR_10 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 64 77 + OG_TTR_8 CB_TTR_10 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 64 77 OG_TTR_8 CG_TTR_10 1 6.320346e-04 6.081603e-07 ; 3.142048e-01 1.642116e-01 0.162816 0.026397 0.001369 0.035467 True native_MD 7 64 78 OG_TTR_8 CD1_TTR_10 1 3.933078e-04 2.499083e-07 ; 2.932072e-01 1.547478e-01 0.107612 0.037883 0.001369 0.035467 True native_MD 7 64 79 OG_TTR_8 CD2_TTR_10 1 3.933078e-04 2.499083e-07 ; 2.932072e-01 1.547478e-01 0.107612 0.037883 0.001369 0.035467 True native_MD 7 64 80 @@ -2806,7 +2806,7 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 OG_TTR_8 N_TTR_11 1 2.448250e-04 1.012702e-07 ; 2.729633e-01 1.479686e-01 0.123138 0.029807 0.001369 0.017292 True native_MD 7 64 87 OG_TTR_8 H_TTR_11 1 1.303769e-05 2.803043e-10 ; 1.667522e-01 1.516043e-01 0.085901 0.011599 0.001369 0.079189 True native_MD 7 64 88 OG_TTR_8 CA_TTR_11 1 8.148956e-04 1.342124e-06 ; 3.436490e-01 1.236947e-01 0.149704 0.054918 0.001369 0.007651 True native_MD 7 64 89 - OG_TTR_8 CB_TTR_11 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 64 90 + OG_TTR_8 CB_TTR_11 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 64 90 OG_TTR_8 OG_TTR_11 1 1.408574e-04 3.294120e-08 ; 2.482142e-01 1.505776e-01 0.108582 0.023026 0.001369 0.017292 True native_MD 7 64 91 OG_TTR_8 C_TTR_11 1 4.979177e-04 4.950657e-07 ; 3.159252e-01 1.251965e-01 0.022507 0.010258 0.001369 0.017292 True native_MD 7 64 92 OG_TTR_8 O1_TTR_11 1 1.749466e-04 6.696912e-08 ; 2.694603e-01 1.142553e-01 0.012922 0.003068 0.001369 0.017292 True native_MD 7 64 93 @@ -2815,11 +2815,11 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 C_TTR_8 O_TTR_8 1 2.775890e-03 6.642726e-06 ; 3.657273e-01 2.900000e-01 1.000000 0.000000 0.028619 0.064181 False fibril 1 65 66 C_TTR_8 N_TTR_9 1 5.008289e-03 2.296812e-05 ; 4.076049e-01 2.730192e-01 0.760109 0.000000 0.028619 0.064181 False fibril 1 65 67 C_TTR_8 CA_TTR_9 1 1.012447e-02 8.836632e-05 ; 4.537525e-01 2.900000e-01 1.000000 0.000000 0.028619 0.049502 False fibril 2 65 68 - C_TTR_8 CB_TTR_9 1 0.000000e+00 5.570103e-06 ; 4.962397e-06 -5.570103e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 65 69 + C_TTR_8 CB_TTR_9 1 0.000000e+00 5.570011e-06 ; 4.962315e-06 -5.570011e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 65 69 C_TTR_8 CG_TTR_9 1 6.127489e-03 3.237749e-05 ; 4.173433e-01 2.899092e-01 0.998534 0.000000 0.028619 0.009238 False fibril 3 65 70 C_TTR_8 CD_TTR_9 1 3.290689e-03 9.335102e-06 ; 3.762461e-01 2.899977e-01 0.999963 0.000000 0.028619 0.009238 False fibril 2 65 71 C_TTR_8 O_TTR_9 1 3.753519e-03 1.270635e-05 ; 3.874928e-01 2.772022e-01 0.813243 0.000000 0.028619 0.064181 False fibril 4 65 73 - C_TTR_8 CB_TTR_10 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 65 77 + C_TTR_8 CB_TTR_10 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 65 77 C_TTR_8 CG_TTR_10 1 2.193962e-03 1.007437e-05 ; 4.076913e-01 1.194485e-01 0.045488 0.095937 0.001369 0.035465 True native_MD 7 65 78 C_TTR_8 CD1_TTR_10 1 1.351039e-03 2.281633e-06 ; 3.450878e-01 2.000000e-01 1.000000 0.135866 0.060567 0.241695 True fibril 7 65 79 C_TTR_8 CD2_TTR_10 1 1.351039e-03 2.281633e-06 ; 3.450878e-01 2.000000e-01 1.000000 0.135866 0.060567 0.241695 True fibril 7 65 80 @@ -2830,7 +2830,7 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 C_TTR_8 O_TTR_10 1 7.710720e-04 1.310559e-06 ; 3.454567e-01 1.134158e-01 0.072527 0.101276 0.001369 0.017292 True native_MD 7 65 86 C_TTR_8 N_TTR_11 1 1.012625e-03 1.796022e-06 ; 3.479182e-01 1.427334e-01 0.201165 0.063501 0.001369 0.017291 True native_MD 7 65 87 C_TTR_8 CA_TTR_11 1 3.018759e-03 1.805976e-05 ; 4.260696e-01 1.261493e-01 0.225720 0.073109 0.001369 0.007651 True native_MD 7 65 89 - C_TTR_8 CB_TTR_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 65 90 + C_TTR_8 CB_TTR_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 65 90 C_TTR_8 OG_TTR_11 1 7.355418e-04 8.675023e-07 ; 3.250453e-01 1.559136e-01 0.135859 0.021979 0.001369 0.017292 True native_MD 7 65 91 C_TTR_8 C_TTR_11 1 1.818749e-03 6.413391e-06 ; 3.901388e-01 1.289431e-01 0.027217 0.007044 0.001369 0.017291 True native_MD 7 65 92 C_TTR_8 O1_TTR_11 1 5.321711e-04 5.930345e-07 ; 3.219868e-01 1.193885e-01 0.016764 0.013245 0.001369 0.017292 True native_MD 7 65 93 @@ -2869,7 +2869,7 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 N_TTR_9 CD_TTR_9 1 2.522993e-03 5.487497e-06 ; 3.599507e-01 2.900000e-01 1.000000 0.000000 0.028619 0.009238 False fibril 1 67 71 N_TTR_9 O_TTR_9 1 3.639460e-03 1.141900e-05 ; 3.826178e-01 2.899918e-01 0.999867 0.000000 0.028619 0.064181 False fibril 3 67 73 N_TTR_9 N_TTR_10 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 3 67 74 - N_TTR_9 CB_TTR_10 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 67 77 + N_TTR_9 CB_TTR_10 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 67 77 N_TTR_9 CD1_TTR_10 1 1.611925e-03 4.392761e-06 ; 3.737365e-01 1.478740e-01 0.076166 0.037996 0.001369 0.035466 True native_MD 7 67 79 N_TTR_9 CD2_TTR_10 1 1.611925e-03 4.392761e-06 ; 3.737365e-01 1.478740e-01 0.076166 0.037996 0.001369 0.035466 True native_MD 7 67 80 N_TTR_9 CE1_TTR_10 1 1.736333e-03 6.005431e-06 ; 3.888826e-01 1.255052e-01 0.022862 0.006900 0.001369 0.035466 True native_MD 7 67 81 @@ -2877,7 +2877,7 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 N_TTR_9 CZ_TTR_10 1 1.592713e-03 6.814177e-06 ; 4.029143e-01 9.306822e-02 0.004412 0.000764 0.001369 0.035466 True native_MD 7 67 83 N_TTR_9 N_TTR_11 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 6 67 87 N_TTR_9 CA_TTR_11 1 5.638483e-03 5.949097e-05 ; 4.683259e-01 1.336021e-01 0.034472 0.005030 0.001369 0.007651 True native_MD 7 67 89 - N_TTR_9 CB_TTR_11 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 67 90 + N_TTR_9 CB_TTR_11 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 67 90 N_TTR_9 OG_TTR_11 1 8.820606e-04 1.748847e-06 ; 3.544396e-01 1.112205e-01 0.011078 0.000989 0.001369 0.017292 True native_MD 7 67 91 N_TTR_9 O1_TTR_11 1 9.921688e-04 2.653177e-06 ; 3.725605e-01 9.275661e-02 0.004343 0.000199 0.001369 0.017292 True native_MD 7 67 93 N_TTR_9 O2_TTR_11 1 9.921688e-04 2.653177e-06 ; 3.725605e-01 9.275661e-02 0.004343 0.000199 0.001369 0.017292 True native_MD 7 67 94 @@ -2911,16 +2911,16 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 CB_TTR_9 CE1_TTR_10 1 1.265374e-03 2.787270e-06 ; 3.607115e-01 1.436147e-01 0.184292 0.063038 0.001369 0.019593 True native_MD 7 69 81 CB_TTR_9 CE2_TTR_10 1 1.265374e-03 2.787270e-06 ; 3.607115e-01 1.436147e-01 0.184292 0.063038 0.001369 0.019593 True native_MD 7 69 82 CB_TTR_9 CZ_TTR_10 1 1.729636e-03 4.958833e-06 ; 3.769098e-01 1.508237e-01 0.159140 0.037764 0.001369 0.019593 True native_MD 7 69 83 - CB_TTR_9 OH_TTR_10 1 0.000000e+00 2.447822e-06 ; 2.180762e-06 -2.447822e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 69 84 - CB_TTR_9 C_TTR_10 1 0.000000e+00 5.570103e-06 ; 4.962397e-06 -5.570103e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 69 85 + CB_TTR_9 OH_TTR_10 1 0.000000e+00 2.447787e-06 ; 2.180730e-06 -2.447787e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 69 84 + CB_TTR_9 C_TTR_10 1 0.000000e+00 5.570011e-06 ; 4.962315e-06 -5.570011e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 69 85 CB_TTR_9 O_TTR_10 1 5.202057e-04 6.765348e-07 ; 3.303841e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 69 86 - CB_TTR_9 N_TTR_11 1 0.000000e+00 3.232756e-06 ; 2.880058e-06 -3.232756e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 69 87 - CB_TTR_9 CA_TTR_11 1 0.000000e+00 3.353015e-05 ; 3.775269e-01 -3.353015e-05 0.071119 0.269608 0.001369 0.004832 True native_MD 7 69 89 + CB_TTR_9 N_TTR_11 1 0.000000e+00 3.232715e-06 ; 2.880021e-06 -3.232715e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 69 87 + CB_TTR_9 CA_TTR_11 1 0.000000e+00 3.353001e-05 ; 3.775268e-01 -3.353001e-05 0.071119 0.269608 0.001369 0.004832 True native_MD 7 69 89 CB_TTR_9 CB_TTR_11 1 1.509356e-03 6.973936e-06 ; 4.081136e-01 8.166678e-02 0.044600 0.112944 0.001369 0.006267 True native_MD 7 69 90 - CB_TTR_9 OG_TTR_11 1 0.000000e+00 2.447822e-06 ; 2.180762e-06 -2.447822e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 69 91 - CB_TTR_9 C_TTR_11 1 0.000000e+00 5.570103e-06 ; 4.962397e-06 -5.570103e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 69 92 - CB_TTR_9 O1_TTR_11 1 0.000000e+00 1.434879e-06 ; 1.278332e-06 -1.434879e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 69 93 - CB_TTR_9 O2_TTR_11 1 0.000000e+00 1.434879e-06 ; 1.278332e-06 -1.434879e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 69 94 + CB_TTR_9 OG_TTR_11 1 0.000000e+00 2.447787e-06 ; 2.180730e-06 -2.447787e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 69 91 + CB_TTR_9 C_TTR_11 1 0.000000e+00 5.570011e-06 ; 4.962315e-06 -5.570011e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 69 92 + CB_TTR_9 O1_TTR_11 1 0.000000e+00 1.434875e-06 ; 1.278328e-06 -1.434875e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 69 93 + CB_TTR_9 O2_TTR_11 1 0.000000e+00 1.434875e-06 ; 1.278328e-06 -1.434875e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 69 94 CG_TTR_9 CG_TTR_9 1 6.017457e-03 3.121533e-05 ; 4.160631e-01 2.900000e-01 1.000000 0.000000 0.028619 0.046450 False fibril 0 70 70 CG_TTR_9 CD_TTR_9 1 6.888763e-03 4.090953e-05 ; 4.255467e-01 2.900000e-01 1.000000 0.000000 0.028619 0.046450 False fibril 1 70 71 CG_TTR_9 C_TTR_9 1 6.792500e-03 3.977418e-05 ; 4.245498e-01 2.900000e-01 1.000000 0.000000 0.028619 0.009238 False fibril 3 70 72 @@ -2933,36 +2933,36 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 CG_TTR_9 CE1_TTR_10 1 1.098517e-03 2.036520e-06 ; 3.504938e-01 1.481373e-01 0.176193 0.047914 0.001369 0.019593 True native_MD 7 70 81 CG_TTR_9 CE2_TTR_10 1 1.098517e-03 2.036520e-06 ; 3.504938e-01 1.481373e-01 0.176193 0.047914 0.001369 0.019593 True native_MD 7 70 82 CG_TTR_9 CZ_TTR_10 1 1.271668e-03 2.648437e-06 ; 3.573573e-01 1.526504e-01 0.158638 0.034315 0.001369 0.019593 True native_MD 7 70 83 - CG_TTR_9 OH_TTR_10 1 0.000000e+00 2.447822e-06 ; 2.180762e-06 -2.447822e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 70 84 - CG_TTR_9 C_TTR_10 1 0.000000e+00 5.570103e-06 ; 4.962397e-06 -5.570103e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 70 85 + CG_TTR_9 OH_TTR_10 1 0.000000e+00 2.447787e-06 ; 2.180730e-06 -2.447787e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 70 84 + CG_TTR_9 C_TTR_10 1 0.000000e+00 5.570011e-06 ; 4.962315e-06 -5.570011e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 70 85 CG_TTR_9 O_TTR_10 1 5.202057e-04 6.765348e-07 ; 3.303841e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 70 86 - CG_TTR_9 N_TTR_11 1 0.000000e+00 3.232756e-06 ; 2.880058e-06 -3.232756e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 70 87 + CG_TTR_9 N_TTR_11 1 0.000000e+00 3.232715e-06 ; 2.880021e-06 -3.232715e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 70 87 CG_TTR_9 CA_TTR_11 1 3.874765e-03 4.228106e-05 ; 4.709594e-01 8.877380e-02 0.036215 0.049311 0.001369 0.004832 True native_MD 7 70 89 CG_TTR_9 CB_TTR_11 1 1.956091e-03 9.380486e-06 ; 4.106509e-01 1.019747e-01 0.024480 0.022132 0.001369 0.006267 True native_MD 7 70 90 - CG_TTR_9 OG_TTR_11 1 0.000000e+00 2.447822e-06 ; 2.180762e-06 -2.447822e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 70 91 - CG_TTR_9 C_TTR_11 1 0.000000e+00 5.570103e-06 ; 4.962397e-06 -5.570103e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 70 92 - CG_TTR_9 O1_TTR_11 1 0.000000e+00 1.434879e-06 ; 1.278332e-06 -1.434879e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 70 93 - CG_TTR_9 O2_TTR_11 1 0.000000e+00 1.434879e-06 ; 1.278332e-06 -1.434879e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 70 94 + CG_TTR_9 OG_TTR_11 1 0.000000e+00 2.447787e-06 ; 2.180730e-06 -2.447787e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 70 91 + CG_TTR_9 C_TTR_11 1 0.000000e+00 5.570011e-06 ; 4.962315e-06 -5.570011e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 70 92 + CG_TTR_9 O1_TTR_11 1 0.000000e+00 1.434875e-06 ; 1.278328e-06 -1.434875e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 70 93 + CG_TTR_9 O2_TTR_11 1 0.000000e+00 1.434875e-06 ; 1.278328e-06 -1.434875e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 70 94 CD_TTR_9 CD_TTR_9 1 6.023412e-03 3.127715e-05 ; 4.161317e-01 2.900000e-01 1.000000 0.000000 0.028619 0.046450 False fibril 0 71 71 CD_TTR_9 C_TTR_9 1 1.049566e-02 9.832282e-05 ; 4.591353e-01 2.800952e-01 0.852149 0.000000 0.028619 0.009238 False fibril 3 71 72 CD_TTR_9 O_TTR_9 1 5.202057e-04 6.765348e-07 ; 3.303841e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 71 73 - CD_TTR_9 N_TTR_10 1 0.000000e+00 3.232756e-06 ; 2.880058e-06 -3.232756e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 71 74 + CD_TTR_9 N_TTR_10 1 0.000000e+00 3.232715e-06 ; 2.880021e-06 -3.232715e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 71 74 CD_TTR_9 CG_TTR_10 1 2.693957e-03 1.233188e-05 ; 4.074801e-01 1.471269e-01 0.167311 0.047892 0.001369 0.019593 True native_MD 7 71 78 CD_TTR_9 CD1_TTR_10 1 1.280231e-03 2.849671e-06 ; 3.613414e-01 1.437878e-01 0.147647 0.050062 0.001369 0.019593 True native_MD 7 71 79 CD_TTR_9 CD2_TTR_10 1 1.280231e-03 2.849671e-06 ; 3.613414e-01 1.437878e-01 0.147647 0.050062 0.001369 0.019593 True native_MD 7 71 80 CD_TTR_9 CE1_TTR_10 1 1.329055e-03 2.949301e-06 ; 3.611570e-01 1.497294e-01 0.122674 0.030773 0.001369 0.019593 True native_MD 7 71 81 CD_TTR_9 CE2_TTR_10 1 1.329055e-03 2.949301e-06 ; 3.611570e-01 1.497294e-01 0.122674 0.030773 0.001369 0.019593 True native_MD 7 71 82 CD_TTR_9 CZ_TTR_10 1 1.982176e-03 6.299284e-06 ; 3.834348e-01 1.559312e-01 0.106981 0.015575 0.001369 0.019593 True native_MD 7 71 83 - CD_TTR_9 OH_TTR_10 1 0.000000e+00 2.447822e-06 ; 2.180762e-06 -2.447822e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 71 84 - CD_TTR_9 C_TTR_10 1 0.000000e+00 5.570103e-06 ; 4.962397e-06 -5.570103e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 71 85 + CD_TTR_9 OH_TTR_10 1 0.000000e+00 2.447787e-06 ; 2.180730e-06 -2.447787e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 71 84 + CD_TTR_9 C_TTR_10 1 0.000000e+00 5.570011e-06 ; 4.962315e-06 -5.570011e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 71 85 CD_TTR_9 O_TTR_10 1 5.202057e-04 6.765348e-07 ; 3.303841e-01 1.000000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 71 86 - CD_TTR_9 N_TTR_11 1 0.000000e+00 3.232756e-06 ; 2.880058e-06 -3.232756e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 71 87 + CD_TTR_9 N_TTR_11 1 0.000000e+00 3.232715e-06 ; 2.880021e-06 -3.232715e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 71 87 CD_TTR_9 CA_TTR_11 1 6.884195e-03 1.341698e-04 ; 5.187605e-01 8.830629e-02 0.003620 0.005047 0.001369 0.004832 True native_MD 7 71 89 CD_TTR_9 CB_TTR_11 1 4.721200e-03 5.846522e-05 ; 4.809953e-01 9.531194e-02 0.004944 0.001724 0.001369 0.006267 True native_MD 7 71 90 - CD_TTR_9 OG_TTR_11 1 0.000000e+00 2.447822e-06 ; 2.180762e-06 -2.447822e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 71 91 - CD_TTR_9 C_TTR_11 1 0.000000e+00 5.570103e-06 ; 4.962397e-06 -5.570103e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 71 92 - CD_TTR_9 O1_TTR_11 1 0.000000e+00 1.434879e-06 ; 1.278332e-06 -1.434879e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 71 93 - CD_TTR_9 O2_TTR_11 1 0.000000e+00 1.434879e-06 ; 1.278332e-06 -1.434879e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 71 94 + CD_TTR_9 OG_TTR_11 1 0.000000e+00 2.447787e-06 ; 2.180730e-06 -2.447787e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 71 91 + CD_TTR_9 C_TTR_11 1 0.000000e+00 5.570011e-06 ; 4.962315e-06 -5.570011e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 71 92 + CD_TTR_9 O1_TTR_11 1 0.000000e+00 1.434875e-06 ; 1.278328e-06 -1.434875e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 71 93 + CD_TTR_9 O2_TTR_11 1 0.000000e+00 1.434875e-06 ; 1.278328e-06 -1.434875e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 71 94 C_TTR_9 C_TTR_9 1 6.020395e-03 3.124582e-05 ; 4.160969e-01 2.900000e-01 1.000000 0.000000 0.028619 0.064180 False fibril 0 72 72 C_TTR_9 O_TTR_9 1 1.060850e-03 9.701746e-07 ; 3.115535e-01 2.900000e-01 1.000000 0.000000 0.028619 0.064181 False fibril 1 72 73 C_TTR_9 N_TTR_10 1 2.230668e-03 4.289609e-06 ; 3.526391e-01 2.899962e-01 0.999938 0.000000 0.028619 0.064181 False fibril 1 72 74 @@ -2970,7 +2970,7 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 C_TTR_9 CB_TTR_10 1 7.077000e-03 4.317580e-05 ; 4.274630e-01 2.900000e-01 1.000000 0.000000 0.028619 0.009238 False fibril 3 72 77 C_TTR_9 CZ_TTR_10 1 3.038791e-03 1.621984e-05 ; 4.180462e-01 1.423295e-01 0.053667 0.031113 0.001369 0.035465 True native_MD 7 72 83 C_TTR_9 O_TTR_10 1 2.778309e-03 1.111360e-05 ; 3.984242e-01 1.736387e-01 0.152651 0.000000 0.028619 0.064181 False fibril 4 72 86 - C_TTR_9 CB_TTR_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 72 90 + C_TTR_9 CB_TTR_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 72 90 C_TTR_9 OG_TTR_11 1 8.409215e-04 1.326147e-06 ; 3.411714e-01 1.333090e-01 0.084306 0.042922 0.001369 0.017292 True native_MD 7 72 91 C_TTR_9 O1_TTR_11 1 6.613189e-04 8.205798e-07 ; 3.278071e-01 1.332420e-01 0.033848 0.008043 0.001369 0.017292 True native_MD 7 72 93 C_TTR_9 O2_TTR_11 1 6.613189e-04 8.205798e-07 ; 3.278071e-01 1.332420e-01 0.033848 0.008043 0.001369 0.017292 True native_MD 7 72 94 @@ -3002,7 +3002,7 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 N_TTR_10 CE2_TTR_10 1 2.698615e-03 1.420962e-05 ; 4.171001e-01 1.281266e-01 0.073185 0.000000 0.028619 0.080680 False fibril 5 74 82 N_TTR_10 O_TTR_10 1 5.194918e-03 2.444234e-05 ; 4.093493e-01 2.760290e-01 0.797977 0.000000 0.028619 0.064181 False fibril 3 74 86 N_TTR_10 N_TTR_11 1 0.000000e+00 2.500000e-05 ; 3.684031e-01 -2.500000e-05 0.000000 0.000000 0.028619 0.009238 False fibril 3 74 87 - N_TTR_10 CB_TTR_11 1 0.000000e+00 3.676082e-06 ; 3.275016e-06 -3.676082e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 74 90 + N_TTR_10 CB_TTR_11 1 0.000000e+00 3.676033e-06 ; 3.274973e-06 -3.676033e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 74 90 H_TTR_10 H_TTR_10 1 0.000000e+00 1.200000e-08 ; 1.069078e-08 -1.200000e-08 1.000000 1.000000 1.000000 1.000000 False mg 7 75 75 H_TTR_10 OH_TTR_10 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 75 84 H_TTR_10 O_TTR_10 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 75 86 @@ -3036,10 +3036,10 @@ CE2_TTR_10 6 13.0190 0.0 A 1.265613e-03 2.669668e-06 CB_TTR_10 N_TTR_11 1 5.333195e-03 2.451980e-05 ; 4.077759e-01 2.900000e-01 1.000000 0.000000 0.028619 0.009238 False fibril 3 77 87 CB_TTR_10 CA_TTR_11 1 2.047754e-02 3.647104e-04 ; 5.110284e-01 2.874403e-01 0.959495 0.000000 0.028619 0.042764 False fibril 4 77 89 CB_TTR_10 CB_TTR_11 1 9.600949e-03 1.641961e-04 ; 5.075842e-01 1.403478e-01 0.089157 0.000000 0.028619 0.046456 False fibril 5 77 90 - CB_TTR_10 OG_TTR_11 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 77 91 - CB_TTR_10 C_TTR_11 1 0.000000e+00 6.333961e-06 ; 5.642918e-06 -6.333961e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 77 92 - CB_TTR_10 O1_TTR_11 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 77 93 - CB_TTR_10 O2_TTR_11 1 0.000000e+00 1.631652e-06 ; 1.453637e-06 -1.631652e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 77 94 + CB_TTR_10 OG_TTR_11 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 77 91 + CB_TTR_10 C_TTR_11 1 0.000000e+00 6.333855e-06 ; 5.642823e-06 -6.333855e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 77 92 + CB_TTR_10 O1_TTR_11 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 77 93 + CB_TTR_10 O2_TTR_11 1 0.000000e+00 1.631646e-06 ; 1.453632e-06 -1.631646e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 77 94 CG_TTR_10 CG_TTR_10 1 6.042704e-03 3.147782e-05 ; 4.163535e-01 2.900000e-01 1.000000 0.000000 0.028619 0.104197 False fibril 0 78 78 CG_TTR_10 CD1_TTR_10 1 3.866851e-03 1.289012e-05 ; 3.865004e-01 2.900000e-01 1.000000 0.000000 0.028619 0.104197 False fibril 1 78 79 CG_TTR_10 CD2_TTR_10 1 3.866851e-03 1.289012e-05 ; 3.865004e-01 2.900000e-01 1.000000 0.000000 0.028619 0.104197 False fibril 1 78 80 @@ -3102,7 +3102,7 @@ CE2_TTR_10 O2_TTR_11 1 2.889305e-04 1.399911e-07 ; 2.802536e-01 1.490824e- CZ_TTR_10 O2_TTR_11 1 3.695147e-04 2.119267e-07 ; 2.882432e-01 1.610712e-01 0.138843 0.006090 0.001369 0.035467 True native_MD 7 83 94 OH_TTR_10 H_TTR_11 1 1.422884e-05 3.374331e-10 ; 1.695000e-01 1.500000e-01 1.000000 1.000000 1.000000 1.000000 False mg 7 84 88 OH_TTR_10 CA_TTR_11 1 4.303054e-03 3.621991e-05 ; 4.510193e-01 1.278045e-01 0.025690 0.001311 0.001369 0.007651 True native_MD 7 84 89 - OH_TTR_10 CB_TTR_11 1 0.000000e+00 2.783506e-06 ; 2.479822e-06 -2.783506e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 84 90 + OH_TTR_10 CB_TTR_11 1 0.000000e+00 2.783464e-06 ; 2.479785e-06 -2.783464e-06 1.000000 1.000000 1.000000 1.000000 False mg 7 84 90 OH_TTR_10 OG_TTR_11 1 5.569929e-04 5.908318e-07 ; 3.193516e-01 1.312730e-01 0.030631 0.002590 0.001369 0.017292 True native_MD 7 84 91 OH_TTR_10 C_TTR_11 1 1.131997e-03 2.317668e-06 ; 3.563426e-01 1.382226e-01 0.043576 0.003321 0.001369 0.017292 True native_MD 7 84 92 OH_TTR_10 O1_TTR_11 1 4.250354e-04 3.184530e-07 ; 3.013723e-01 1.418224e-01 0.052304 0.001266 0.001369 0.017292 True native_MD 7 84 93 diff --git a/test/test_outputs/ttrref/case_1/topol_mego.top b/test/test_outputs/ttrref/case_1/topol_mego.top index 5a5c4644..4375eb66 100644 --- a/test/test_outputs/ttrref/case_1/topol_mego.top +++ b/test/test_outputs/ttrref/case_1/topol_mego.top @@ -471,26 +471,26 @@ TTR 3 [ pairs ] ; ai aj func c6 c12 ; probability rc_probability source - 1 4 1 0.000000e+00 3.016298e-07 ; 9.998127e-01 9.992607e-01 native_MD - 1 5 1 0.000000e+00 1.390580e-06 ; 9.998779e-01 9.219223e-01 fibril - 1 6 1 0.000000e+00 1.390580e-06 ; 9.998779e-01 9.219223e-01 fibril - 1 7 1 0.000000e+00 5.610045e-07 ; 1.000000e+00 3.719822e-01 fibril - 1 8 1 0.000000e+00 5.610045e-07 ; 1.000000e+00 3.719822e-01 fibril - 1 9 1 0.000000e+00 1.529987e-06 ; 2.351510e-02 3.799502e-02 native_MD + 1 4 1 0.000000e+00 3.016255e-07 ; 9.998127e-01 9.992607e-01 native_MD + 1 5 1 0.000000e+00 1.390561e-06 ; 9.998779e-01 9.219223e-01 fibril + 1 6 1 0.000000e+00 1.390561e-06 ; 9.998779e-01 9.219223e-01 fibril + 1 7 1 0.000000e+00 5.609966e-07 ; 1.000000e+00 3.719822e-01 fibril + 1 8 1 0.000000e+00 5.609966e-07 ; 1.000000e+00 3.719822e-01 fibril + 1 9 1 0.000000e+00 1.529965e-06 ; 2.351510e-02 3.799502e-02 native_MD 1 13 1 0.000000e+00 4.000000e-06 ; 1.000000e+00 1.000000e+00 native_MD - 1 15 1 0.000000e+00 7.574739e-06 ; 9.999988e-01 9.999650e-01 native_MD - 1 16 1 0.000000e+00 7.775660e-06 ; 1.211673e-01 1.476578e-01 native_MD - 1 17 1 0.000000e+00 6.679812e-07 ; 4.336497e-03 1.220372e-02 native_MD - 1 18 1 0.000000e+00 2.759012e-06 ; 4.003156e-02 4.589606e-02 native_MD - 1 19 1 0.000000e+00 1.510478e-06 ; 1.550362e-03 3.094872e-03 native_MD + 1 15 1 0.000000e+00 7.574727e-06 ; 9.999988e-01 9.999650e-01 native_MD + 1 16 1 0.000000e+00 7.775648e-06 ; 1.211673e-01 1.476578e-01 native_MD + 1 17 1 0.000000e+00 6.679730e-07 ; 4.336497e-03 1.220372e-02 native_MD + 1 18 1 0.000000e+00 2.758986e-06 ; 4.003156e-02 4.589606e-02 native_MD + 1 19 1 0.000000e+00 1.510457e-06 ; 1.550362e-03 3.094872e-03 native_MD 1 20 1 0.000000e+00 4.799381e-07 ; 1.112767e-03 1.711064e-03 native_MD 1 21 1 0.000000e+00 8.752940e-07 ; 4.484375e-04 5.195282e-03 native_MD 1 24 1 0.000000e+00 6.327260e-06 ; 7.887250e-05 6.171908e-03 native_MD 1 25 1 0.000000e+00 1.897280e-06 ; 8.238450e-04 1.047527e-02 native_MD 1 26 1 0.000000e+00 1.416111e-06 ; 2.869250e-04 5.308083e-03 native_MD - 1 27 1 0.000000e+00 2.752226e-06 ; 2.327722e-03 5.718102e-03 native_MD + 1 27 1 0.000000e+00 2.752200e-06 ; 2.327722e-03 5.718102e-03 native_MD 1 30 1 0.000000e+00 2.500000e-05 ; 6.552500e-06 2.536382e-03 native_MD - 1 33 1 0.000000e+00 2.835721e-06 ; 4.103367e-03 3.793406e-02 native_MD + 1 33 1 0.000000e+00 2.835694e-06 ; 4.103367e-03 3.793406e-02 native_MD 1 36 1 0.000000e+00 2.500000e-05 ; 2.153200e-04 2.067860e-03 native_MD 1 39 1 0.000000e+00 1.416111e-06 ; 1.137825e-03 1.217672e-02 native_MD 1 42 1 0.000000e+00 2.500000e-05 ; 1.043925e-04 2.250807e-04 native_MD @@ -515,48 +515,48 @@ TTR 3 1 90 1 0.000000e+00 1.897280e-06 ; 0.000000e+00 2.215069e-03 native_MD 2 5 1 0.000000e+00 5.000000e-07 ; 1.000000e+00 9.999983e-01 native_MD 2 6 1 0.000000e+00 5.000000e-07 ; 9.999988e-01 1.000000e+00 native_MD - 2 7 1 0.000000e+00 1.305184e-05 ; 9.999983e-01 9.999962e-01 native_MD - 2 8 1 0.000000e+00 1.305184e-05 ; 9.999983e-01 9.999962e-01 native_MD - 2 9 1 0.000000e+00 1.304728e-05 ; 1.000000e+00 9.996484e-01 fibril + 2 7 1 0.000000e+00 1.305177e-05 ; 9.999983e-01 9.999962e-01 native_MD + 2 8 1 0.000000e+00 1.305177e-05 ; 9.999983e-01 9.999962e-01 native_MD + 2 9 1 0.000000e+00 1.304721e-05 ; 1.000000e+00 9.996484e-01 fibril 2 10 1 0.000000e+00 5.735738e-06 ; 0.000000e+00 8.317584e-06 native_MD - 2 16 1 0.000000e+00 6.555533e-05 ; 1.000000e+00 9.999938e-01 fibril - 2 17 1 0.000000e+00 4.270338e-06 ; 9.998313e-01 7.443454e-01 fibril - 2 18 1 0.000000e+00 1.796015e-05 ; 9.891704e-01 7.457724e-01 fibril - 2 19 1 0.000000e+00 1.305179e-05 ; 9.999995e-01 9.999941e-01 native_MD - 2 20 1 0.000000e+00 1.773748e-06 ; 9.974190e-01 4.244686e-01 fibril - 2 21 1 0.000000e+00 1.014413e-05 ; 3.160666e-01 6.552264e-01 native_MD - 2 23 1 0.000000e+00 8.590323e-05 ; 3.309915e-01 6.413760e-01 native_MD + 2 16 1 0.000000e+00 6.555582e-05 ; 1.000000e+00 9.999938e-01 fibril + 2 17 1 0.000000e+00 4.270323e-06 ; 9.998313e-01 7.443454e-01 fibril + 2 18 1 0.000000e+00 1.796014e-05 ; 9.891704e-01 7.457724e-01 fibril + 2 19 1 0.000000e+00 1.305173e-05 ; 9.999995e-01 9.999941e-01 native_MD + 2 20 1 0.000000e+00 1.773762e-06 ; 9.974190e-01 4.244686e-01 fibril + 2 21 1 0.000000e+00 1.014411e-05 ; 3.160666e-01 6.552264e-01 native_MD + 2 23 1 0.000000e+00 8.590386e-05 ; 3.309915e-01 6.413760e-01 native_MD 2 81 1 1.986583e-03 1.194183e-05 ; 2.597095e-03 5.936793e-03 native_MD 2 82 1 1.986583e-03 1.194183e-05 ; 2.597095e-03 5.936793e-03 native_MD 2 83 1 2.498665e-03 1.685058e-05 ; 4.314570e-03 7.314005e-03 native_MD 2 84 1 4.533808e-04 5.353534e-07 ; 5.116760e-03 6.820425e-03 native_MD - 3 9 1 0.000000e+00 6.333961e-06 ; 1.000000e+00 1.000000e+00 native_MD + 3 9 1 0.000000e+00 6.333855e-06 ; 1.000000e+00 1.000000e+00 native_MD 3 10 1 0.000000e+00 2.783506e-06 ; 0.000000e+00 1.507653e-06 native_MD 3 12 1 0.000000e+00 1.500000e-06 ; 1.000000e+00 1.000000e+00 native_MD 3 13 1 0.000000e+00 2.700000e-06 ; 1.000000e+00 9.999973e-01 native_MD - 3 15 1 0.000000e+00 3.181346e-05 ; 9.999993e-01 9.999932e-01 native_MD - 3 16 1 0.000000e+00 3.032007e-05 ; 9.998856e-01 9.529377e-01 fibril - 3 17 1 0.000000e+00 2.791858e-06 ; 5.043575e-02 5.343656e-02 native_MD - 3 18 1 0.000000e+00 1.205064e-05 ; 5.381760e-02 9.989706e-02 native_MD - 3 19 1 0.000000e+00 5.190904e-06 ; 9.997416e-01 8.192768e-01 fibril - 3 20 1 0.000000e+00 1.433573e-06 ; 5.237368e-01 2.349559e-01 native_MD - 3 21 1 0.000000e+00 4.986855e-06 ; 9.860007e-02 4.551681e-01 native_MD - 3 28 1 0.000000e+00 7.301104e-06 ; 3.987588e-02 1.925676e-01 native_MD + 3 15 1 0.000000e+00 3.181332e-05 ; 9.999993e-01 9.999932e-01 native_MD + 3 16 1 0.000000e+00 3.031994e-05 ; 9.998856e-01 9.529377e-01 fibril + 3 17 1 0.000000e+00 2.791817e-06 ; 5.043575e-02 5.343656e-02 native_MD + 3 18 1 0.000000e+00 1.205049e-05 ; 5.381760e-02 9.989706e-02 native_MD + 3 19 1 0.000000e+00 5.190817e-06 ; 9.997416e-01 8.192768e-01 fibril + 3 20 1 0.000000e+00 1.433568e-06 ; 5.237368e-01 2.349559e-01 native_MD + 3 21 1 0.000000e+00 4.986789e-06 ; 9.860007e-02 4.551681e-01 native_MD + 3 28 1 0.000000e+00 7.300982e-06 ; 3.987588e-02 1.925676e-01 native_MD 3 29 1 2.514750e-04 2.077000e-07 ; 5.108348e-02 1.715146e-01 native_MD - 3 30 1 0.000000e+00 4.131179e-06 ; 6.376330e-03 1.301758e-01 native_MD - 3 34 1 0.000000e+00 6.524279e-06 ; 6.203812e-03 3.625103e-02 native_MD + 3 30 1 0.000000e+00 4.131124e-06 ; 6.376330e-03 1.301758e-01 native_MD + 3 34 1 0.000000e+00 6.524169e-06 ; 6.203812e-03 3.625103e-02 native_MD 3 35 1 1.767666e-04 1.089532e-07 ; 4.905355e-03 2.061089e-02 native_MD - 3 36 1 0.000000e+00 3.728982e-06 ; 5.116475e-03 1.950700e-02 native_MD - 3 40 1 0.000000e+00 6.304937e-06 ; 9.256885e-03 4.674571e-03 native_MD + 3 36 1 0.000000e+00 3.728933e-06 ; 5.116475e-03 1.950700e-02 native_MD + 3 40 1 0.000000e+00 6.304831e-06 ; 9.256885e-03 4.674571e-03 native_MD 3 41 1 3.008253e-04 2.343333e-07 ; 5.263145e-03 4.818505e-03 native_MD - 3 42 1 0.000000e+00 3.658530e-06 ; 6.696315e-03 1.921852e-03 native_MD - 3 49 1 0.000000e+00 6.348724e-06 ; 1.731202e-03 4.062034e-03 native_MD + 3 42 1 0.000000e+00 3.658482e-06 ; 6.696315e-03 1.921852e-03 native_MD + 3 49 1 0.000000e+00 6.348618e-06 ; 1.731202e-03 4.062034e-03 native_MD 3 50 1 5.672109e-04 8.043206e-07 ; 6.312250e-04 6.788086e-03 native_MD 3 51 1 0.000000e+00 1.897280e-06 ; 1.124897e-03 1.179869e-03 native_MD 3 58 1 0.000000e+00 4.203747e-06 ; 2.260775e-04 1.659846e-03 native_MD 3 59 1 5.672109e-04 8.043206e-07 ; 1.771475e-04 2.283448e-03 native_MD 3 60 1 0.000000e+00 1.897280e-06 ; 2.573350e-04 2.815413e-04 native_MD - 3 64 1 0.000000e+00 2.793604e-06 ; 1.742927e-03 5.370924e-03 native_MD + 3 64 1 0.000000e+00 2.793562e-06 ; 1.742927e-03 5.370924e-03 native_MD 3 65 1 0.000000e+00 4.203747e-06 ; 1.306100e-04 6.457662e-04 native_MD 3 66 1 5.672109e-04 8.043206e-07 ; 1.170250e-04 8.177985e-04 native_MD 3 67 1 0.000000e+00 1.897280e-06 ; 1.027925e-04 4.698730e-04 native_MD @@ -570,7 +570,7 @@ TTR 3 3 81 1 5.971500e-04 9.106784e-07 ; 5.634615e-03 5.680642e-03 native_MD 3 82 1 5.971500e-04 9.106784e-07 ; 5.634615e-03 5.680642e-03 native_MD 3 83 1 7.636336e-04 1.439537e-06 ; 6.688522e-03 5.957670e-03 native_MD - 3 84 1 0.000000e+00 2.781580e-06 ; 7.092330e-03 6.400371e-03 native_MD + 3 84 1 0.000000e+00 2.781538e-06 ; 7.092330e-03 6.400371e-03 native_MD 3 85 1 0.000000e+00 4.203747e-06 ; 1.554175e-04 1.205711e-03 native_MD 3 86 1 5.672109e-04 8.043206e-07 ; 1.786625e-04 1.399190e-03 native_MD 3 87 1 0.000000e+00 1.897280e-06 ; 7.334250e-05 2.493562e-04 native_MD @@ -579,13 +579,13 @@ TTR 3 3 92 1 0.000000e+00 4.203747e-06 ; 1.168567e-03 9.455946e-04 native_MD 3 93 1 0.000000e+00 6.532924e-07 ; 5.642000e-04 6.112821e-04 native_MD 3 94 1 0.000000e+00 6.532924e-07 ; 9.573750e-04 3.566450e-04 native_MD - 4 10 1 0.000000e+00 1.141961e-06 ; 1.000000e+00 1.000000e+00 native_MD - 4 11 1 0.000000e+00 6.496425e-07 ; 9.999990e-01 9.999910e-01 native_MD - 4 12 1 0.000000e+00 5.674932e-07 ; 7.112665e-01 3.975209e-01 native_MD - 4 13 1 0.000000e+00 1.287838e-06 ; 1.000000e+00 8.539195e-01 fibril - 4 15 1 0.000000e+00 9.886899e-06 ; 5.694168e-01 3.269253e-01 native_MD - 4 16 1 0.000000e+00 1.066181e-05 ; 2.706380e-01 8.751804e-02 native_MD - 4 19 1 0.000000e+00 1.865606e-06 ; 3.859883e-01 1.039241e-01 native_MD + 4 10 1 0.000000e+00 1.141943e-06 ; 1.000000e+00 1.000000e+00 native_MD + 4 11 1 0.000000e+00 6.496310e-07 ; 9.999990e-01 9.999910e-01 native_MD + 4 12 1 0.000000e+00 5.674906e-07 ; 7.112665e-01 3.975209e-01 native_MD + 4 13 1 0.000000e+00 1.287819e-06 ; 1.000000e+00 8.539195e-01 fibril + 4 15 1 0.000000e+00 9.886847e-06 ; 5.694168e-01 3.269253e-01 native_MD + 4 16 1 0.000000e+00 1.066175e-05 ; 2.706380e-01 8.751804e-02 native_MD + 4 19 1 0.000000e+00 1.865573e-06 ; 3.859883e-01 1.039241e-01 native_MD 4 77 1 6.188316e-04 1.193219e-06 ; 2.301275e-03 4.298702e-03 native_MD 4 78 1 5.281828e-04 8.803690e-07 ; 2.185967e-03 1.629972e-03 native_MD 4 79 1 3.958359e-04 4.961087e-07 ; 2.156882e-03 2.081013e-03 native_MD @@ -597,10 +597,10 @@ TTR 3 4 89 1 9.661350e-04 2.974619e-06 ; 2.101902e-03 1.548315e-03 native_MD 4 90 1 3.466273e-04 3.832853e-07 ; 2.093430e-03 1.796899e-03 native_MD 4 92 1 5.623244e-04 1.100030e-06 ; 1.505120e-03 8.265003e-04 native_MD - 5 11 1 0.000000e+00 2.231772e-06 ; 9.999827e-01 8.588291e-01 fibril - 5 12 1 0.000000e+00 6.618393e-07 ; 3.152749e-01 1.156196e-01 native_MD - 5 13 1 0.000000e+00 1.172798e-06 ; 5.041542e-01 2.817952e-01 native_MD - 5 15 1 0.000000e+00 9.456684e-06 ; 4.705683e-01 1.951149e-01 native_MD + 5 11 1 0.000000e+00 2.231733e-06 ; 9.999827e-01 8.588291e-01 fibril + 5 12 1 0.000000e+00 6.618363e-07 ; 3.152749e-01 1.156196e-01 native_MD + 5 13 1 0.000000e+00 1.172782e-06 ; 5.041542e-01 2.817952e-01 native_MD + 5 15 1 0.000000e+00 9.456635e-06 ; 4.705683e-01 1.951149e-01 native_MD 5 77 1 5.375766e-04 8.663844e-07 ; 2.700490e-03 4.855263e-03 native_MD 5 78 1 3.894965e-04 4.688757e-07 ; 2.378867e-03 2.978544e-03 native_MD 5 79 1 3.160519e-04 3.121842e-07 ; 2.273050e-03 3.052644e-03 native_MD @@ -614,10 +614,10 @@ TTR 3 5 92 1 3.237946e-04 3.486320e-07 ; 1.780968e-03 1.698397e-03 native_MD 5 93 1 1.313543e-04 6.105045e-08 ; 1.415590e-03 1.238781e-03 native_MD 5 94 1 1.313543e-04 6.105045e-08 ; 1.415590e-03 1.238781e-03 native_MD - 6 11 1 0.000000e+00 2.231772e-06 ; 9.999827e-01 8.588291e-01 fibril - 6 12 1 0.000000e+00 6.618393e-07 ; 3.152749e-01 1.156196e-01 native_MD - 6 13 1 0.000000e+00 1.172798e-06 ; 5.041542e-01 2.817952e-01 native_MD - 6 15 1 0.000000e+00 9.456684e-06 ; 4.705683e-01 1.951149e-01 native_MD + 6 11 1 0.000000e+00 2.231733e-06 ; 9.999827e-01 8.588291e-01 fibril + 6 12 1 0.000000e+00 6.618363e-07 ; 3.152749e-01 1.156196e-01 native_MD + 6 13 1 0.000000e+00 1.172782e-06 ; 5.041542e-01 2.817952e-01 native_MD + 6 15 1 0.000000e+00 9.456635e-06 ; 4.705683e-01 1.951149e-01 native_MD 6 77 1 5.375766e-04 8.663844e-07 ; 2.700490e-03 4.855263e-03 native_MD 6 78 1 3.894965e-04 4.688757e-07 ; 2.378867e-03 2.978544e-03 native_MD 6 79 1 3.160519e-04 3.121842e-07 ; 2.273050e-03 3.052644e-03 native_MD @@ -631,9 +631,9 @@ TTR 3 6 92 1 3.237946e-04 3.486320e-07 ; 1.780968e-03 1.698397e-03 native_MD 6 93 1 1.313543e-04 6.105045e-08 ; 1.415590e-03 1.238781e-03 native_MD 6 94 1 1.313543e-04 6.105045e-08 ; 1.415590e-03 1.238781e-03 native_MD - 7 11 1 0.000000e+00 1.878010e-06 ; 3.952758e-01 1.179848e-01 native_MD - 7 12 1 0.000000e+00 7.854767e-07 ; 7.683276e-02 2.668889e-02 native_MD - 7 13 1 0.000000e+00 1.158798e-06 ; 3.140087e-01 8.236663e-02 native_MD + 7 11 1 0.000000e+00 1.877977e-06 ; 3.952758e-01 1.179848e-01 native_MD + 7 12 1 0.000000e+00 7.854731e-07 ; 7.683276e-02 2.668889e-02 native_MD + 7 13 1 0.000000e+00 1.158782e-06 ; 3.140087e-01 8.236663e-02 native_MD 7 76 1 6.639557e-04 1.274476e-06 ; 3.157867e-03 5.711523e-03 native_MD 7 77 1 5.373843e-04 7.790852e-07 ; 4.323160e-03 6.016358e-03 native_MD 7 78 1 3.925211e-04 4.404280e-07 ; 3.319152e-03 3.103835e-03 native_MD @@ -646,9 +646,9 @@ TTR 3 7 92 1 3.670824e-04 4.332453e-07 ; 2.029353e-03 2.603795e-03 native_MD 7 93 1 1.581012e-04 8.597438e-08 ; 1.569100e-03 2.121754e-03 native_MD 7 94 1 1.581012e-04 8.597438e-08 ; 1.569100e-03 2.121754e-03 native_MD - 8 11 1 0.000000e+00 1.878010e-06 ; 3.952758e-01 1.179848e-01 native_MD - 8 12 1 0.000000e+00 7.854767e-07 ; 7.683276e-02 2.668889e-02 native_MD - 8 13 1 0.000000e+00 1.158798e-06 ; 3.140087e-01 8.236663e-02 native_MD + 8 11 1 0.000000e+00 1.877977e-06 ; 3.952758e-01 1.179848e-01 native_MD + 8 12 1 0.000000e+00 7.854731e-07 ; 7.683276e-02 2.668889e-02 native_MD + 8 13 1 0.000000e+00 1.158782e-06 ; 3.140087e-01 8.236663e-02 native_MD 8 76 1 6.639557e-04 1.274476e-06 ; 3.157867e-03 5.711523e-03 native_MD 8 77 1 5.373843e-04 7.790852e-07 ; 4.323160e-03 6.016358e-03 native_MD 8 78 1 3.925211e-04 4.404280e-07 ; 3.319152e-03 3.103835e-03 native_MD @@ -661,7 +661,7 @@ TTR 3 8 92 1 3.670824e-04 4.332453e-07 ; 2.029353e-03 2.603795e-03 native_MD 8 93 1 1.581012e-04 8.597438e-08 ; 1.569100e-03 2.121754e-03 native_MD 8 94 1 1.581012e-04 8.597438e-08 ; 1.569100e-03 2.121754e-03 native_MD - 9 11 1 0.000000e+00 2.386236e-06 ; 9.484043e-02 1.312870e-02 native_MD + 9 11 1 0.000000e+00 2.386194e-06 ; 9.484043e-02 1.312870e-02 native_MD 9 77 1 6.114795e-04 9.687785e-07 ; 5.248017e-03 5.603005e-03 native_MD 9 79 1 3.566363e-04 3.445331e-07 ; 4.241530e-03 4.271658e-03 native_MD 9 80 1 3.566363e-04 3.445331e-07 ; 4.241530e-03 4.271658e-03 native_MD @@ -670,67 +670,67 @@ TTR 3 9 92 1 5.750939e-04 1.019252e-06 ; 2.407087e-03 3.225174e-03 native_MD 9 93 1 1.599415e-04 8.840048e-08 ; 1.542305e-03 1.690630e-03 native_MD 9 94 1 1.599415e-04 8.840048e-08 ; 1.542305e-03 1.690630e-03 native_MD - 10 16 1 0.000000e+00 5.562114e-06 ; 3.367309e-02 3.402601e-03 native_MD - 10 18 1 0.000000e+00 2.040489e-06 ; 2.039974e-02 2.855681e-03 native_MD - 10 24 1 0.000000e+00 5.199223e-06 ; 1.073082e-01 1.376921e-02 native_MD - 10 25 1 0.000000e+00 2.595092e-06 ; 8.253370e-02 1.484439e-02 native_MD - 10 26 1 0.000000e+00 1.980032e-06 ; 5.986295e-02 1.321017e-02 native_MD - 10 27 1 0.000000e+00 1.962528e-06 ; 7.128406e-02 1.620368e-02 native_MD - 10 33 1 0.000000e+00 2.007797e-06 ; 4.384643e-02 1.056182e-02 native_MD - 10 39 1 0.000000e+00 2.061767e-06 ; 1.625737e-02 8.958483e-03 native_MD - 10 45 1 0.000000e+00 2.784112e-06 ; 4.889370e-03 5.107283e-03 native_MD - 10 46 1 0.000000e+00 5.730194e-06 ; 1.182054e-02 1.085404e-02 native_MD - 10 47 1 0.000000e+00 2.083155e-06 ; 9.696882e-03 1.269571e-02 native_MD - 10 48 1 0.000000e+00 2.076144e-06 ; 9.420450e-03 9.043632e-03 native_MD - 10 54 1 0.000000e+00 2.753689e-06 ; 1.534500e-02 4.632920e-03 native_MD - 10 55 1 0.000000e+00 5.671649e-06 ; 2.022902e-02 9.055473e-03 native_MD - 10 56 1 0.000000e+00 2.065009e-06 ; 1.349837e-02 7.760535e-03 native_MD - 10 57 1 0.000000e+00 2.067055e-06 ; 1.308353e-02 8.330545e-03 native_MD - 10 63 1 0.000000e+00 2.767054e-06 ; 1.298396e-02 7.073437e-03 native_MD - 10 69 1 0.000000e+00 2.457877e-06 ; 2.010237e-03 6.117704e-03 native_MD - 10 70 1 0.000000e+00 2.459369e-06 ; 2.905577e-03 7.622474e-03 native_MD - 10 71 1 0.000000e+00 2.455202e-06 ; 2.720710e-03 5.735441e-03 native_MD - 10 77 1 0.000000e+00 2.781888e-06 ; 5.200245e-03 4.619116e-03 native_MD + 10 16 1 0.000000e+00 5.562096e-06 ; 3.367309e-02 3.402601e-03 native_MD + 10 18 1 0.000000e+00 2.040466e-06 ; 2.039974e-02 2.855681e-03 native_MD + 10 24 1 0.000000e+00 5.199205e-06 ; 1.073082e-01 1.376921e-02 native_MD + 10 25 1 0.000000e+00 2.595053e-06 ; 8.253370e-02 1.484439e-02 native_MD + 10 26 1 0.000000e+00 1.980010e-06 ; 5.986295e-02 1.321017e-02 native_MD + 10 27 1 0.000000e+00 1.962506e-06 ; 7.128406e-02 1.620368e-02 native_MD + 10 33 1 0.000000e+00 2.007774e-06 ; 4.384643e-02 1.056182e-02 native_MD + 10 39 1 0.000000e+00 2.061744e-06 ; 1.625737e-02 8.958483e-03 native_MD + 10 45 1 0.000000e+00 2.784071e-06 ; 4.889370e-03 5.107283e-03 native_MD + 10 46 1 0.000000e+00 5.730175e-06 ; 1.182054e-02 1.085404e-02 native_MD + 10 47 1 0.000000e+00 2.083131e-06 ; 9.696882e-03 1.269571e-02 native_MD + 10 48 1 0.000000e+00 2.076120e-06 ; 9.420450e-03 9.043632e-03 native_MD + 10 54 1 0.000000e+00 2.753647e-06 ; 1.534500e-02 4.632920e-03 native_MD + 10 55 1 0.000000e+00 5.671630e-06 ; 2.022902e-02 9.055473e-03 native_MD + 10 56 1 0.000000e+00 2.064986e-06 ; 1.349837e-02 7.760535e-03 native_MD + 10 57 1 0.000000e+00 2.067031e-06 ; 1.308353e-02 8.330545e-03 native_MD + 10 63 1 0.000000e+00 2.767012e-06 ; 1.298396e-02 7.073437e-03 native_MD + 10 69 1 0.000000e+00 2.457841e-06 ; 2.010237e-03 6.117704e-03 native_MD + 10 70 1 0.000000e+00 2.459333e-06 ; 2.905577e-03 7.622474e-03 native_MD + 10 71 1 0.000000e+00 2.455166e-06 ; 2.720710e-03 5.735441e-03 native_MD + 10 77 1 0.000000e+00 2.781847e-06 ; 5.200245e-03 4.619116e-03 native_MD 10 89 1 5.539875e-04 9.463635e-07 ; 2.401302e-03 6.630303e-03 native_MD - 10 90 1 0.000000e+00 2.792236e-06 ; 2.364840e-03 5.501273e-03 native_MD + 10 90 1 0.000000e+00 2.792194e-06 ; 2.364840e-03 5.501273e-03 native_MD 10 92 1 2.763967e-04 2.533970e-07 ; 1.798150e-03 3.029247e-03 native_MD 11 16 1 0.000000e+00 1.299682e-06 ; 1.000000e+00 9.999921e-01 native_MD - 11 17 1 0.000000e+00 9.865067e-07 ; 9.998474e-01 8.637184e-01 fibril - 11 18 1 0.000000e+00 4.688256e-06 ; 1.000000e+00 9.919892e-01 fibril - 11 19 1 0.000000e+00 1.299285e-06 ; 1.000000e+00 9.999923e-01 native_MD - 11 20 1 0.000000e+00 6.949545e-07 ; 9.997671e-01 8.401571e-01 fibril - 11 21 1 0.000000e+00 1.465032e-06 ; 9.999811e-01 9.713916e-01 fibril - 11 23 1 0.000000e+00 1.410079e-05 ; 7.693822e-01 8.497482e-01 native_MD - 11 24 1 0.000000e+00 1.567966e-05 ; 1.917845e-01 3.931193e-01 native_MD - 11 25 1 0.000000e+00 6.698569e-06 ; 1.839709e-01 2.415348e-01 native_MD - 11 26 1 0.000000e+00 4.923568e-06 ; 5.202986e-02 9.380882e-02 native_MD - 11 27 1 0.000000e+00 4.229624e-06 ; 1.385735e-01 3.352080e-02 native_MD - 11 28 1 0.000000e+00 2.951478e-06 ; 5.338259e-02 1.891913e-01 native_MD - 11 33 1 0.000000e+00 5.058703e-06 ; 2.207994e-02 9.245213e-02 native_MD - 11 39 1 0.000000e+00 4.879518e-06 ; 1.426810e-02 4.672653e-02 native_MD + 11 17 1 0.000000e+00 9.864910e-07 ; 9.998474e-01 8.637184e-01 fibril + 11 18 1 0.000000e+00 4.688194e-06 ; 1.000000e+00 9.919892e-01 fibril + 11 19 1 0.000000e+00 1.299262e-06 ; 1.000000e+00 9.999923e-01 native_MD + 11 20 1 0.000000e+00 6.949513e-07 ; 9.997671e-01 8.401571e-01 fibril + 11 21 1 0.000000e+00 1.465011e-06 ; 9.999811e-01 9.713916e-01 fibril + 11 23 1 0.000000e+00 1.410072e-05 ; 7.693822e-01 8.497482e-01 native_MD + 11 24 1 0.000000e+00 1.567958e-05 ; 1.917845e-01 3.931193e-01 native_MD + 11 25 1 0.000000e+00 6.698456e-06 ; 1.839709e-01 2.415348e-01 native_MD + 11 26 1 0.000000e+00 4.923504e-06 ; 5.202986e-02 9.380882e-02 native_MD + 11 27 1 0.000000e+00 4.229569e-06 ; 1.385735e-01 3.352080e-02 native_MD + 11 28 1 0.000000e+00 2.951426e-06 ; 5.338259e-02 1.891913e-01 native_MD + 11 33 1 0.000000e+00 5.058637e-06 ; 2.207994e-02 9.245213e-02 native_MD + 11 39 1 0.000000e+00 4.879454e-06 ; 1.426810e-02 4.672653e-02 native_MD 11 45 1 0.000000e+00 4.203747e-06 ; 8.900750e-04 1.816664e-03 native_MD - 11 46 1 0.000000e+00 1.304480e-05 ; 5.588255e-03 5.047246e-03 native_MD - 11 47 1 0.000000e+00 4.738787e-06 ; 3.905190e-03 6.586362e-03 native_MD - 11 48 1 0.000000e+00 4.731942e-06 ; 3.323175e-03 4.555991e-03 native_MD + 11 46 1 0.000000e+00 1.304474e-05 ; 5.588255e-03 5.047246e-03 native_MD + 11 47 1 0.000000e+00 4.738725e-06 ; 3.905190e-03 6.586362e-03 native_MD + 11 48 1 0.000000e+00 4.731880e-06 ; 3.323175e-03 4.555991e-03 native_MD 11 54 1 0.000000e+00 4.203747e-06 ; 0.000000e+00 1.520266e-03 native_MD 11 55 1 0.000000e+00 1.401912e-05 ; 8.004000e-05 4.317524e-03 native_MD 11 56 1 0.000000e+00 3.137637e-06 ; 2.461875e-04 5.504456e-03 native_MD 11 57 1 0.000000e+00 3.137637e-06 ; 1.137800e-04 3.832748e-03 native_MD - 11 63 1 0.000000e+00 6.337214e-06 ; 1.916037e-03 2.429566e-03 native_MD + 11 63 1 0.000000e+00 6.337107e-06 ; 1.916037e-03 2.429566e-03 native_MD 11 69 1 0.000000e+00 3.536268e-06 ; 6.070000e-06 1.351021e-03 native_MD 11 70 1 0.000000e+00 3.536268e-06 ; 9.315000e-05 1.788211e-03 native_MD 11 71 1 0.000000e+00 3.536268e-06 ; 4.937250e-05 5.491939e-04 native_MD 11 77 1 0.000000e+00 4.203747e-06 ; 7.573000e-05 1.749364e-03 native_MD 11 84 1 2.518038e-04 1.881431e-07 ; 2.821172e-03 2.870963e-03 native_MD 11 90 1 0.000000e+00 4.203747e-06 ; 3.864000e-05 1.279023e-03 native_MD - 12 16 1 0.000000e+00 4.153452e-06 ; 9.999982e-01 9.999879e-01 native_MD + 12 16 1 0.000000e+00 4.153485e-06 ; 9.999982e-01 9.999879e-01 native_MD 12 17 1 2.266340e-04 1.545671e-07 ; 9.998393e-01 1.666199e-01 fibril - 12 18 1 0.000000e+00 7.303759e-07 ; 9.999759e-01 4.856009e-01 fibril - 12 19 1 0.000000e+00 8.215170e-07 ; 9.999293e-01 9.933680e-01 fibril + 12 18 1 0.000000e+00 7.303760e-07 ; 9.999759e-01 4.856009e-01 fibril + 12 19 1 0.000000e+00 8.215132e-07 ; 9.999293e-01 9.933680e-01 fibril 12 20 1 0.000000e+00 1.394732e-06 ; 8.470227e-01 7.768437e-01 native_MD 12 21 1 0.000000e+00 1.537960e-06 ; 8.457756e-01 8.710823e-01 native_MD - 12 22 1 0.000000e+00 1.614610e-08 ; 9.964235e-02 1.402386e-01 native_MD - 12 23 1 0.000000e+00 3.772762e-06 ; 5.904222e-01 4.987565e-01 native_MD + 12 22 1 0.000000e+00 1.614635e-08 ; 9.964235e-02 1.402386e-01 native_MD + 12 23 1 0.000000e+00 3.772792e-06 ; 5.904222e-01 4.987565e-01 native_MD 12 24 1 1.689980e-03 6.661790e-06 ; 2.300036e-01 1.598057e-01 native_MD 12 25 1 6.530205e-04 9.301562e-07 ; 2.628967e-01 1.252811e-01 native_MD 12 26 1 4.996695e-04 6.366335e-07 ; 7.024197e-02 7.757203e-02 native_MD @@ -751,24 +751,24 @@ TTR 3 12 71 1 5.202448e-04 6.766365e-07 ; 2.084250e-05 1.314565e-03 native_MD 12 77 1 5.672109e-04 8.043206e-07 ; 1.575050e-04 1.842512e-03 native_MD 12 90 1 5.672109e-04 8.043206e-07 ; 5.596250e-05 1.451065e-03 native_MD - 13 17 1 0.000000e+00 1.325534e-07 ; 9.959189e-01 9.755411e-01 native_MD - 13 18 1 0.000000e+00 5.485852e-07 ; 9.999998e-01 9.999937e-01 native_MD - 13 21 1 0.000000e+00 3.002258e-07 ; 9.999989e-01 1.000000e+00 native_MD - 13 23 1 0.000000e+00 7.574596e-06 ; 9.999997e-01 9.999471e-01 native_MD - 13 24 1 0.000000e+00 4.779832e-06 ; 9.466703e-01 5.776717e-01 fibril - 13 25 1 0.000000e+00 1.285458e-06 ; 9.728860e-01 3.225675e-01 fibril - 13 26 1 0.000000e+00 2.976624e-06 ; 2.157992e-02 1.067802e-01 native_MD - 13 27 1 0.000000e+00 2.686210e-06 ; 3.930877e-02 1.863139e-02 native_MD - 13 28 1 0.000000e+00 1.638911e-06 ; 3.288452e-02 1.195886e-01 native_MD + 13 17 1 0.000000e+00 1.325518e-07 ; 9.959189e-01 9.755411e-01 native_MD + 13 18 1 0.000000e+00 5.485800e-07 ; 9.999998e-01 9.999937e-01 native_MD + 13 21 1 0.000000e+00 3.002227e-07 ; 9.999989e-01 1.000000e+00 native_MD + 13 23 1 0.000000e+00 7.574584e-06 ; 9.999997e-01 9.999471e-01 native_MD + 13 24 1 0.000000e+00 4.779825e-06 ; 9.466703e-01 5.776717e-01 fibril + 13 25 1 0.000000e+00 1.285441e-06 ; 9.728860e-01 3.225675e-01 fibril + 13 26 1 0.000000e+00 2.976596e-06 ; 2.157992e-02 1.067802e-01 native_MD + 13 27 1 0.000000e+00 2.686184e-06 ; 3.930877e-02 1.863139e-02 native_MD + 13 28 1 0.000000e+00 1.638888e-06 ; 3.288452e-02 1.195886e-01 native_MD 13 29 1 0.000000e+00 1.669053e-06 ; 6.025147e-02 1.729537e-01 native_MD - 13 30 1 0.000000e+00 9.394403e-07 ; 3.799582e-03 7.708499e-02 native_MD - 13 33 1 0.000000e+00 2.752558e-06 ; 6.207580e-03 9.719072e-03 native_MD + 13 30 1 0.000000e+00 9.394304e-07 ; 3.799582e-03 7.708499e-02 native_MD + 13 33 1 0.000000e+00 2.752532e-06 ; 6.207580e-03 9.719072e-03 native_MD 13 36 1 0.000000e+00 2.500000e-05 ; 7.569575e-04 1.768786e-03 native_MD - 13 39 1 0.000000e+00 2.735590e-06 ; 2.645922e-02 2.378483e-02 native_MD + 13 39 1 0.000000e+00 2.735565e-06 ; 2.645922e-02 2.378483e-02 native_MD 13 42 1 0.000000e+00 2.500000e-05 ; 2.780750e-05 5.078517e-05 native_MD 13 45 1 0.000000e+00 1.897280e-06 ; 1.205400e-04 9.992610e-04 native_MD - 13 46 1 0.000000e+00 7.570612e-06 ; 3.375765e-03 2.797132e-03 native_MD - 13 47 1 0.000000e+00 2.747644e-06 ; 1.572865e-03 3.292737e-03 native_MD + 13 46 1 0.000000e+00 7.570600e-06 ; 3.375765e-03 2.797132e-03 native_MD + 13 47 1 0.000000e+00 2.747618e-06 ; 1.572865e-03 3.292737e-03 native_MD 13 48 1 0.000000e+00 1.416111e-06 ; 8.833675e-04 2.042926e-03 native_MD 13 51 1 0.000000e+00 2.500000e-05 ; 0.000000e+00 0.000000e+00 native_MD 13 54 1 0.000000e+00 1.897280e-06 ; 0.000000e+00 5.800454e-04 native_MD @@ -776,7 +776,7 @@ TTR 3 13 56 1 0.000000e+00 1.416111e-06 ; 4.102075e-04 2.226065e-03 native_MD 13 57 1 0.000000e+00 1.416111e-06 ; 3.504375e-04 1.562989e-03 native_MD 13 60 1 0.000000e+00 2.500000e-05 ; 1.867500e-06 0.000000e+00 native_MD - 13 63 1 0.000000e+00 3.673527e-06 ; 1.862945e-03 1.168042e-03 native_MD + 13 63 1 0.000000e+00 3.673479e-06 ; 1.862945e-03 1.168042e-03 native_MD 13 67 1 0.000000e+00 2.500000e-05 ; 0.000000e+00 0.000000e+00 native_MD 13 69 1 0.000000e+00 1.596026e-06 ; 6.600000e-06 2.555432e-04 native_MD 13 70 1 0.000000e+00 1.596026e-06 ; 1.435825e-04 1.326415e-03 native_MD @@ -786,54 +786,54 @@ TTR 3 13 84 1 1.530887e-04 7.343268e-08 ; 2.249657e-03 1.599973e-03 native_MD 13 87 1 0.000000e+00 2.500000e-05 ; 0.000000e+00 0.000000e+00 native_MD 13 90 1 0.000000e+00 1.897280e-06 ; 1.744500e-05 5.696938e-04 native_MD - 14 17 1 0.000000e+00 1.629660e-08 ; 1.000000e+00 7.605644e-01 fibril - 14 20 1 0.000000e+00 5.185390e-09 ; 1.000000e+00 3.341920e-01 fibril + 14 17 1 0.000000e+00 1.629667e-08 ; 1.000000e+00 7.605644e-01 fibril + 14 20 1 0.000000e+00 5.185472e-09 ; 1.000000e+00 3.341920e-01 fibril 14 22 1 0.000000e+00 1.686877e-08 ; 9.162981e-02 4.973604e-01 native_MD - 15 24 1 0.000000e+00 6.555531e-05 ; 1.000000e+00 9.999934e-01 native_MD - 15 25 1 0.000000e+00 2.860634e-05 ; 1.000000e+00 8.991843e-01 fibril - 15 26 1 0.000000e+00 2.986943e-05 ; 3.212505e-01 5.795512e-01 native_MD - 15 27 1 0.000000e+00 6.277289e-06 ; 9.940355e-01 2.584770e-01 fibril - 15 28 1 0.000000e+00 1.305186e-05 ; 1.000000e+00 1.000000e+00 native_MD - 15 29 1 0.000000e+00 2.393066e-06 ; 9.636604e-01 5.398176e-01 fibril - 15 30 1 0.000000e+00 8.641916e-06 ; 4.392431e-01 5.800909e-01 native_MD - 15 32 1 0.000000e+00 7.215368e-05 ; 4.768901e-01 5.775364e-01 native_MD - 15 68 1 0.000000e+00 6.581526e-05 ; 1.910080e-03 5.868821e-03 native_MD + 15 24 1 0.000000e+00 6.555579e-05 ; 1.000000e+00 9.999934e-01 native_MD + 15 25 1 0.000000e+00 2.860622e-05 ; 1.000000e+00 8.991843e-01 fibril + 15 26 1 0.000000e+00 2.986941e-05 ; 3.212505e-01 5.795512e-01 native_MD + 15 27 1 0.000000e+00 6.277285e-06 ; 9.940355e-01 2.584770e-01 fibril + 15 28 1 0.000000e+00 1.305180e-05 ; 1.000000e+00 1.000000e+00 native_MD + 15 29 1 0.000000e+00 2.393085e-06 ; 9.636604e-01 5.398176e-01 fibril + 15 30 1 0.000000e+00 8.641903e-06 ; 4.392431e-01 5.800909e-01 native_MD + 15 32 1 0.000000e+00 7.215421e-05 ; 4.768901e-01 5.775364e-01 native_MD + 15 68 1 0.000000e+00 6.581574e-05 ; 1.910080e-03 5.868821e-03 native_MD 15 76 1 4.761186e-03 7.920931e-05 ; 1.481172e-03 2.391609e-03 native_MD 15 83 1 2.780381e-03 2.234499e-05 ; 3.160480e-03 5.495373e-03 native_MD 15 84 1 8.019112e-04 1.772025e-06 ; 3.917477e-03 5.908000e-03 native_MD 16 20 1 0.000000e+00 1.500000e-06 ; 9.999982e-01 9.999880e-01 native_MD 16 21 1 0.000000e+00 2.700000e-06 ; 9.999992e-01 9.999941e-01 native_MD - 16 23 1 0.000000e+00 6.555575e-05 ; 9.999998e-01 1.000000e+00 native_MD - 16 24 1 0.000000e+00 6.545461e-05 ; 9.999841e-01 9.984415e-01 fibril - 16 25 1 0.000000e+00 1.970932e-05 ; 9.999605e-01 6.194843e-01 fibril - 16 26 1 0.000000e+00 2.697504e-05 ; 1.701812e-01 3.065508e-01 native_MD - 16 28 1 0.000000e+00 7.787921e-06 ; 9.998984e-01 5.965887e-01 fibril - 16 29 1 0.000000e+00 2.115976e-06 ; 6.899394e-01 1.993842e-01 native_MD - 16 30 1 0.000000e+00 7.811366e-06 ; 1.807801e-01 2.119842e-01 native_MD - 16 34 1 0.000000e+00 1.321122e-05 ; 5.836588e-02 7.057553e-02 native_MD + 16 23 1 0.000000e+00 6.555624e-05 ; 9.999998e-01 1.000000e+00 native_MD + 16 24 1 0.000000e+00 6.545510e-05 ; 9.999841e-01 9.984415e-01 fibril + 16 25 1 0.000000e+00 1.970923e-05 ; 9.999605e-01 6.194843e-01 fibril + 16 26 1 0.000000e+00 2.697503e-05 ; 1.701812e-01 3.065508e-01 native_MD + 16 28 1 0.000000e+00 7.787881e-06 ; 9.998984e-01 5.965887e-01 fibril + 16 29 1 0.000000e+00 2.115993e-06 ; 6.899394e-01 1.993842e-01 native_MD + 16 30 1 0.000000e+00 7.811353e-06 ; 1.807801e-01 2.119842e-01 native_MD + 16 34 1 0.000000e+00 1.321116e-05 ; 5.836588e-02 7.057553e-02 native_MD 16 35 1 3.940331e-04 4.072374e-07 ; 3.295011e-02 4.178986e-02 native_MD - 16 36 1 0.000000e+00 7.707089e-06 ; 5.709013e-02 7.452826e-02 native_MD - 16 40 1 0.000000e+00 1.316921e-05 ; 4.214620e-03 1.320562e-02 native_MD - 16 41 1 0.000000e+00 4.202650e-06 ; 1.729302e-03 1.356410e-02 native_MD + 16 36 1 0.000000e+00 7.707076e-06 ; 5.709013e-02 7.452826e-02 native_MD + 16 40 1 0.000000e+00 1.316915e-05 ; 4.214620e-03 1.320562e-02 native_MD + 16 41 1 0.000000e+00 4.202684e-06 ; 1.729302e-03 1.356410e-02 native_MD 16 42 1 0.000000e+00 6.327260e-06 ; 1.052980e-03 6.820016e-03 native_MD - 16 49 1 0.000000e+00 1.305168e-05 ; 2.364980e-03 2.350680e-03 native_MD + 16 49 1 0.000000e+00 1.305161e-05 ; 2.364980e-03 2.350680e-03 native_MD 16 50 1 3.176798e-04 2.991907e-07 ; 2.832157e-03 3.405541e-03 native_MD 16 51 1 0.000000e+00 6.327260e-06 ; 1.015047e-03 1.492865e-03 native_MD - 16 58 1 0.000000e+00 1.305813e-05 ; 2.354010e-03 2.834183e-03 native_MD + 16 58 1 0.000000e+00 1.305806e-05 ; 2.354010e-03 2.834183e-03 native_MD 16 59 1 3.661090e-04 4.351321e-07 ; 1.953887e-03 3.738895e-03 native_MD - 16 60 1 0.000000e+00 7.567708e-06 ; 2.220382e-03 1.258381e-03 native_MD - 16 64 1 0.000000e+00 5.761143e-06 ; 1.555775e-03 5.985121e-03 native_MD - 16 65 1 0.000000e+00 1.302969e-05 ; 2.600187e-03 9.011875e-04 native_MD + 16 60 1 0.000000e+00 7.567696e-06 ; 2.220382e-03 1.258381e-03 native_MD + 16 64 1 0.000000e+00 5.761124e-06 ; 1.555775e-03 5.985121e-03 native_MD + 16 65 1 0.000000e+00 1.302962e-05 ; 2.600187e-03 9.011875e-04 native_MD 16 66 1 3.854075e-04 4.898805e-07 ; 1.838047e-03 1.449252e-03 native_MD 16 67 1 0.000000e+00 6.327260e-06 ; 7.730350e-04 6.964877e-04 native_MD - 16 68 1 0.000000e+00 6.595568e-05 ; 2.607167e-03 8.707962e-03 native_MD - 16 70 1 0.000000e+00 2.821100e-05 ; 2.255495e-03 1.061889e-02 native_MD - 16 72 1 0.000000e+00 1.304855e-05 ; 1.737347e-03 1.483448e-03 native_MD + 16 68 1 0.000000e+00 6.595617e-05 ; 2.607167e-03 8.707962e-03 native_MD + 16 70 1 0.000000e+00 2.821088e-05 ; 2.255495e-03 1.061889e-02 native_MD + 16 72 1 0.000000e+00 1.304848e-05 ; 1.737347e-03 1.483448e-03 native_MD 16 73 1 3.358957e-04 3.915671e-07 ; 1.518245e-03 1.345452e-03 native_MD 16 74 1 0.000000e+00 6.327260e-06 ; 1.072630e-03 1.215181e-03 native_MD 16 76 1 1.260064e-03 5.175460e-06 ; 2.300040e-03 4.515967e-03 native_MD 16 77 1 2.785004e-03 2.668151e-05 ; 1.568297e-03 4.552260e-03 native_MD - 16 84 1 0.000000e+00 5.755559e-06 ; 2.609445e-03 6.065207e-03 native_MD + 16 84 1 0.000000e+00 5.755540e-06 ; 2.609445e-03 6.065207e-03 native_MD 16 85 1 0.000000e+00 1.401912e-05 ; 4.712200e-04 1.376508e-03 native_MD 16 86 1 1.063450e-03 2.827313e-06 ; 3.780250e-04 1.385750e-03 native_MD 16 87 1 0.000000e+00 6.327260e-06 ; 1.019400e-04 6.439148e-04 native_MD @@ -841,62 +841,62 @@ TTR 3 16 92 1 0.000000e+00 1.401912e-05 ; 7.098950e-04 1.803153e-03 native_MD 16 93 1 0.000000e+00 2.178672e-06 ; 5.293725e-04 1.292581e-03 native_MD 16 94 1 0.000000e+00 2.178672e-06 ; 6.190975e-04 1.319371e-03 native_MD - 17 19 1 0.000000e+00 2.854902e-07 ; 9.999889e-01 9.984883e-01 native_MD - 17 20 1 0.000000e+00 3.442412e-07 ; 7.617919e-01 7.090551e-01 fibril - 17 21 1 0.000000e+00 6.969885e-07 ; 6.699357e-01 7.215699e-01 native_MD - 17 22 1 0.000000e+00 2.211325e-08 ; 1.423210e-01 1.743493e-01 native_MD - 17 23 1 0.000000e+00 5.813225e-06 ; 5.575896e-01 5.710991e-01 native_MD - 17 24 1 0.000000e+00 6.141192e-06 ; 1.482625e-01 2.189516e-01 native_MD - 17 25 1 0.000000e+00 2.915342e-06 ; 1.057844e-01 1.531478e-01 native_MD - 17 26 1 0.000000e+00 2.199777e-06 ; 3.159624e-02 9.074635e-02 native_MD - 17 27 1 0.000000e+00 2.063966e-06 ; 4.865014e-02 4.241022e-02 native_MD - 17 28 1 0.000000e+00 1.043635e-06 ; 1.497657e-01 6.366313e-02 native_MD - 17 33 1 0.000000e+00 2.048177e-06 ; 5.701281e-02 4.317073e-02 native_MD - 17 39 1 0.000000e+00 2.087345e-06 ; 4.285672e-02 4.787319e-02 native_MD - 17 45 1 0.000000e+00 2.792310e-06 ; 2.229095e-03 5.392109e-03 native_MD - 17 46 1 0.000000e+00 5.747993e-06 ; 8.066175e-03 1.020279e-02 native_MD - 17 47 1 0.000000e+00 2.083959e-06 ; 4.838475e-03 8.224659e-03 native_MD - 17 48 1 0.000000e+00 2.068396e-06 ; 9.140245e-03 5.033254e-03 native_MD + 17 19 1 0.000000e+00 2.854856e-07 ; 9.999889e-01 9.984883e-01 native_MD + 17 20 1 0.000000e+00 3.442403e-07 ; 7.617919e-01 7.090551e-01 fibril + 17 21 1 0.000000e+00 6.969800e-07 ; 6.699357e-01 7.215699e-01 native_MD + 17 22 1 0.000000e+00 2.211335e-08 ; 1.423210e-01 1.743493e-01 native_MD + 17 23 1 0.000000e+00 5.813205e-06 ; 5.575896e-01 5.710991e-01 native_MD + 17 24 1 0.000000e+00 6.141172e-06 ; 1.482625e-01 2.189516e-01 native_MD + 17 25 1 0.000000e+00 2.915298e-06 ; 1.057844e-01 1.531478e-01 native_MD + 17 26 1 0.000000e+00 2.199752e-06 ; 3.159624e-02 9.074635e-02 native_MD + 17 27 1 0.000000e+00 2.063943e-06 ; 4.865014e-02 4.241022e-02 native_MD + 17 28 1 0.000000e+00 1.043618e-06 ; 1.497657e-01 6.366313e-02 native_MD + 17 33 1 0.000000e+00 2.048154e-06 ; 5.701281e-02 4.317073e-02 native_MD + 17 39 1 0.000000e+00 2.087322e-06 ; 4.285672e-02 4.787319e-02 native_MD + 17 45 1 0.000000e+00 2.792268e-06 ; 2.229095e-03 5.392109e-03 native_MD + 17 46 1 0.000000e+00 5.747974e-06 ; 8.066175e-03 1.020279e-02 native_MD + 17 47 1 0.000000e+00 2.083936e-06 ; 4.838475e-03 8.224659e-03 native_MD + 17 48 1 0.000000e+00 2.068373e-06 ; 9.140245e-03 5.033254e-03 native_MD 17 54 1 0.000000e+00 1.326442e-06 ; 1.969600e-04 2.911155e-03 native_MD 17 55 1 0.000000e+00 4.423567e-06 ; 9.276000e-04 5.489374e-03 native_MD 17 56 1 0.000000e+00 9.900438e-07 ; 1.002975e-03 6.225480e-03 native_MD 17 57 1 0.000000e+00 9.900438e-07 ; 8.249100e-04 4.035517e-03 native_MD - 17 63 1 0.000000e+00 2.788190e-06 ; 2.782317e-03 4.465247e-03 native_MD + 17 63 1 0.000000e+00 2.788148e-06 ; 2.782317e-03 4.465247e-03 native_MD 17 69 1 0.000000e+00 1.115827e-06 ; 3.324250e-04 3.407193e-03 native_MD - 17 70 1 0.000000e+00 2.453798e-06 ; 1.676227e-03 4.117296e-03 native_MD - 17 71 1 0.000000e+00 2.450026e-06 ; 2.378567e-03 3.278842e-03 native_MD + 17 70 1 0.000000e+00 2.453762e-06 ; 1.676227e-03 4.117296e-03 native_MD + 17 71 1 0.000000e+00 2.449990e-06 ; 2.378567e-03 3.278842e-03 native_MD 17 77 1 0.000000e+00 1.326442e-06 ; 3.504750e-04 1.288119e-03 native_MD 17 90 1 0.000000e+00 1.326442e-06 ; 3.521550e-04 1.705672e-03 native_MD - 18 19 1 0.000000e+00 1.181529e-06 ; 9.999999e-01 1.000000e+00 native_MD + 18 19 1 0.000000e+00 1.181513e-06 ; 9.999999e-01 1.000000e+00 native_MD 18 20 1 0.000000e+00 1.355325e-06 ; 1.000000e+00 9.011522e-01 fibril - 18 21 1 0.000000e+00 2.602265e-06 ; 9.997790e-01 9.484976e-01 fibril - 18 23 1 0.000000e+00 1.459044e-05 ; 9.998960e-01 6.145432e-01 fibril - 18 24 1 0.000000e+00 1.959633e-05 ; 4.275444e-01 2.530733e-01 fibril + 18 21 1 0.000000e+00 2.602240e-06 ; 9.997790e-01 9.484976e-01 fibril + 18 23 1 0.000000e+00 1.459043e-05 ; 9.998960e-01 6.145432e-01 fibril + 18 24 1 0.000000e+00 1.959632e-05 ; 4.275444e-01 2.530733e-01 fibril 18 28 1 2.949705e-03 2.416904e-05 ; 9.909841e-01 1.422356e-01 fibril 18 29 1 5.760695e-04 6.371514e-07 ; 3.433126e-01 7.417251e-02 native_MD - 18 30 1 0.000000e+00 2.728972e-06 ; 7.924919e-02 7.416197e-02 native_MD - 18 34 1 0.000000e+00 4.759006e-06 ; 2.916179e-02 3.612109e-02 native_MD + 18 30 1 0.000000e+00 2.728946e-06 ; 7.924919e-02 7.416197e-02 native_MD + 18 34 1 0.000000e+00 4.758944e-06 ; 2.916179e-02 3.612109e-02 native_MD 18 35 1 3.223466e-04 2.541038e-07 ; 2.475572e-02 2.210919e-02 native_MD - 18 36 1 0.000000e+00 2.773255e-06 ; 2.221505e-02 3.327204e-02 native_MD - 18 40 1 0.000000e+00 4.756459e-06 ; 2.949078e-03 9.369496e-03 native_MD + 18 36 1 0.000000e+00 2.773228e-06 ; 2.221505e-02 3.327204e-02 native_MD + 18 40 1 0.000000e+00 4.756397e-06 ; 2.949078e-03 9.369496e-03 native_MD 18 41 1 1.807116e-04 1.152794e-07 ; 1.745948e-03 7.669309e-03 native_MD - 18 42 1 0.000000e+00 2.750094e-06 ; 1.577122e-03 4.190405e-03 native_MD - 18 49 1 0.000000e+00 4.720735e-06 ; 3.270112e-03 2.131547e-03 native_MD + 18 42 1 0.000000e+00 2.750068e-06 ; 1.577122e-03 4.190405e-03 native_MD + 18 49 1 0.000000e+00 4.720673e-06 ; 3.270112e-03 2.131547e-03 native_MD 18 50 1 3.013987e-04 2.570119e-07 ; 3.475308e-03 3.449493e-03 native_MD 18 51 1 0.000000e+00 1.416111e-06 ; 1.214887e-03 1.065670e-03 native_MD - 18 58 1 0.000000e+00 4.724376e-06 ; 2.614340e-03 2.246326e-03 native_MD + 18 58 1 0.000000e+00 4.724315e-06 ; 2.614340e-03 2.246326e-03 native_MD 18 59 1 2.516903e-04 1.972016e-07 ; 2.309870e-03 3.117567e-03 native_MD - 18 60 1 0.000000e+00 2.739774e-06 ; 2.241555e-03 1.092333e-03 native_MD - 18 64 1 0.000000e+00 2.084456e-06 ; 1.497140e-03 5.122604e-03 native_MD - 18 65 1 0.000000e+00 4.720311e-06 ; 2.631195e-03 1.403071e-03 native_MD + 18 60 1 0.000000e+00 2.739748e-06 ; 2.241555e-03 1.092333e-03 native_MD + 18 64 1 0.000000e+00 2.084433e-06 ; 1.497140e-03 5.122604e-03 native_MD + 18 65 1 0.000000e+00 4.720250e-06 ; 2.631195e-03 1.403071e-03 native_MD 18 66 1 2.223754e-04 1.656983e-07 ; 1.730050e-03 1.941860e-03 native_MD - 18 67 1 0.000000e+00 2.742672e-06 ; 1.452825e-03 1.360083e-03 native_MD + 18 67 1 0.000000e+00 2.742646e-06 ; 1.452825e-03 1.360083e-03 native_MD 18 68 1 1.764653e-03 9.165722e-06 ; 2.920880e-03 7.428909e-03 native_MD 18 70 1 7.201145e-04 1.608509e-06 ; 2.343910e-03 8.638866e-03 native_MD 18 71 1 6.020483e-04 1.042119e-06 ; 3.235527e-03 5.974550e-03 native_MD - 18 72 1 0.000000e+00 4.728693e-06 ; 1.926672e-03 2.472036e-03 native_MD + 18 72 1 0.000000e+00 4.728631e-06 ; 1.926672e-03 2.472036e-03 native_MD 18 73 1 2.122766e-04 1.481754e-07 ; 1.858990e-03 1.627927e-03 native_MD - 18 74 1 0.000000e+00 2.742076e-06 ; 1.744687e-03 1.434846e-03 native_MD + 18 74 1 0.000000e+00 2.742050e-06 ; 1.744687e-03 1.434846e-03 native_MD 18 76 1 5.554005e-04 9.703210e-07 ; 2.214375e-03 3.798167e-03 native_MD 18 77 1 7.932530e-04 2.039804e-06 ; 1.965092e-03 4.657698e-03 native_MD 18 84 1 0.000000e+00 9.900438e-07 ; 1.292040e-03 4.108812e-03 native_MD @@ -908,40 +908,40 @@ TTR 3 18 93 1 0.000000e+00 4.876112e-07 ; 4.542225e-04 8.919101e-04 native_MD 18 94 1 0.000000e+00 4.876112e-07 ; 5.384625e-04 1.148796e-03 native_MD 19 24 1 0.000000e+00 1.299682e-06 ; 9.999993e-01 1.000000e+00 native_MD - 19 25 1 0.000000e+00 6.332116e-06 ; 1.000000e+00 9.997087e-01 fibril - 19 26 1 0.000000e+00 4.649372e-06 ; 1.000000e+00 9.837617e-01 fibril - 19 27 1 0.000000e+00 1.463928e-06 ; 1.000000e+00 3.097528e-01 fibril - 19 28 1 0.000000e+00 1.299285e-06 ; 9.999997e-01 1.000000e+00 native_MD - 19 29 1 0.000000e+00 7.379488e-07 ; 1.000000e+00 8.923818e-01 fibril - 19 30 1 0.000000e+00 1.466465e-06 ; 1.000000e+00 9.723612e-01 fibril - 19 32 1 0.000000e+00 1.255672e-05 ; 8.892555e-01 8.513184e-01 native_MD - 19 33 1 0.000000e+00 4.997976e-06 ; 1.221404e-01 1.796633e-01 native_MD - 19 34 1 0.000000e+00 2.734958e-06 ; 5.508422e-02 1.075701e-01 native_MD - 19 39 1 0.000000e+00 5.003818e-06 ; 6.785799e-02 1.266171e-01 native_MD - 19 45 1 0.000000e+00 6.451515e-06 ; 8.400302e-03 2.695968e-02 native_MD - 19 46 1 0.000000e+00 1.326903e-05 ; 3.102037e-02 4.765861e-02 native_MD - 19 47 1 0.000000e+00 4.773399e-06 ; 1.942903e-02 2.943363e-02 native_MD - 19 48 1 0.000000e+00 4.714822e-06 ; 1.476584e-02 1.237625e-02 native_MD + 19 25 1 0.000000e+00 6.332010e-06 ; 1.000000e+00 9.997087e-01 fibril + 19 26 1 0.000000e+00 4.649311e-06 ; 1.000000e+00 9.837617e-01 fibril + 19 27 1 0.000000e+00 1.463908e-06 ; 1.000000e+00 3.097528e-01 fibril + 19 28 1 0.000000e+00 1.299262e-06 ; 9.999997e-01 1.000000e+00 native_MD + 19 29 1 0.000000e+00 7.379453e-07 ; 1.000000e+00 8.923818e-01 fibril + 19 30 1 0.000000e+00 1.466445e-06 ; 1.000000e+00 9.723612e-01 fibril + 19 32 1 0.000000e+00 1.255665e-05 ; 8.892555e-01 8.513184e-01 native_MD + 19 33 1 0.000000e+00 4.997910e-06 ; 1.221404e-01 1.796633e-01 native_MD + 19 34 1 0.000000e+00 2.734910e-06 ; 5.508422e-02 1.075701e-01 native_MD + 19 39 1 0.000000e+00 5.003753e-06 ; 6.785799e-02 1.266171e-01 native_MD + 19 45 1 0.000000e+00 6.451407e-06 ; 8.400302e-03 2.695968e-02 native_MD + 19 46 1 0.000000e+00 1.326896e-05 ; 3.102037e-02 4.765861e-02 native_MD + 19 47 1 0.000000e+00 4.773336e-06 ; 1.942903e-02 2.943363e-02 native_MD + 19 48 1 0.000000e+00 4.714761e-06 ; 1.476584e-02 1.237625e-02 native_MD 19 54 1 0.000000e+00 4.203747e-06 ; 2.881500e-05 2.007461e-03 native_MD 19 55 1 0.000000e+00 1.401912e-05 ; 5.603250e-04 5.149397e-03 native_MD 19 56 1 0.000000e+00 3.137637e-06 ; 8.878225e-04 5.835226e-03 native_MD 19 57 1 0.000000e+00 3.137637e-06 ; 5.179475e-04 2.971329e-03 native_MD - 19 63 1 0.000000e+00 6.342941e-06 ; 1.910790e-03 3.328483e-03 native_MD + 19 63 1 0.000000e+00 6.342834e-06 ; 1.910790e-03 3.328483e-03 native_MD 19 69 1 0.000000e+00 3.536268e-06 ; 2.684250e-05 1.708583e-03 native_MD 19 70 1 0.000000e+00 3.536268e-06 ; 2.284250e-05 2.645490e-03 native_MD 19 71 1 0.000000e+00 3.536268e-06 ; 0.000000e+00 9.587595e-04 native_MD 19 77 1 0.000000e+00 4.203747e-06 ; 5.615000e-05 7.307111e-04 native_MD 19 84 1 3.439295e-04 3.329021e-07 ; 3.558747e-03 3.890076e-03 native_MD 19 90 1 0.000000e+00 4.203747e-06 ; 3.592950e-04 1.004836e-03 native_MD - 20 24 1 0.000000e+00 4.153468e-06 ; 1.000000e+00 9.999936e-01 native_MD - 20 25 1 0.000000e+00 1.021327e-06 ; 9.999854e-01 5.066822e-01 fibril + 20 24 1 0.000000e+00 4.153501e-06 ; 1.000000e+00 9.999936e-01 native_MD + 20 25 1 0.000000e+00 1.021323e-06 ; 9.999854e-01 5.066822e-01 fibril 20 26 1 0.000000e+00 1.763176e-06 ; 2.067757e-01 3.791065e-01 fibril 20 27 1 1.709998e-03 7.070132e-06 ; 1.000000e+00 1.075095e-01 fibril - 20 28 1 0.000000e+00 8.240449e-07 ; 9.998923e-01 9.963879e-01 native_MD + 20 28 1 0.000000e+00 8.240411e-07 ; 9.998923e-01 9.963879e-01 native_MD 20 29 1 0.000000e+00 1.351160e-06 ; 9.241599e-01 8.249332e-01 native_MD 20 30 1 0.000000e+00 1.445603e-06 ; 9.436149e-01 9.073504e-01 native_MD - 20 31 1 0.000000e+00 1.579241e-08 ; 1.429236e-01 1.607251e-01 native_MD - 20 32 1 0.000000e+00 3.430846e-06 ; 7.152774e-01 5.412918e-01 native_MD + 20 31 1 0.000000e+00 1.579266e-08 ; 1.429236e-01 1.607251e-01 native_MD + 20 32 1 0.000000e+00 3.430874e-06 ; 7.152774e-01 5.412918e-01 native_MD 20 33 1 6.976657e-04 1.155587e-06 ; 1.520688e-01 1.162193e-01 native_MD 20 39 1 2.384387e-04 1.631755e-07 ; 6.775825e-02 1.303218e-01 native_MD 20 45 1 2.787760e-04 2.687205e-07 ; 1.157101e-02 4.714869e-02 native_MD @@ -961,27 +961,27 @@ TTR 3 20 84 1 5.730153e-05 9.092137e-09 ; 3.830820e-03 4.656195e-03 native_MD 20 90 1 5.672109e-04 8.043206e-07 ; 4.081625e-04 1.376921e-03 native_MD 21 25 1 0.000000e+00 5.500000e-07 ; 1.000000e+00 1.000000e+00 native_MD - 21 26 1 0.000000e+00 5.485852e-07 ; 9.999975e-01 9.999939e-01 native_MD - 21 27 1 0.000000e+00 2.576099e-06 ; 1.000000e+00 9.391792e-01 fibril - 21 30 1 0.000000e+00 3.002258e-07 ; 1.000000e+00 9.999676e-01 native_MD - 21 32 1 0.000000e+00 7.574392e-06 ; 1.000000e+00 9.999204e-01 native_MD - 21 33 1 0.000000e+00 3.176682e-06 ; 9.416678e-02 2.523030e-01 native_MD - 21 34 1 0.000000e+00 1.557547e-06 ; 2.296229e-02 5.571628e-02 native_MD + 21 26 1 0.000000e+00 5.485800e-07 ; 9.999975e-01 9.999939e-01 native_MD + 21 27 1 0.000000e+00 2.576075e-06 ; 1.000000e+00 9.391792e-01 fibril + 21 30 1 0.000000e+00 3.002227e-07 ; 1.000000e+00 9.999676e-01 native_MD + 21 32 1 0.000000e+00 7.574380e-06 ; 1.000000e+00 9.999204e-01 native_MD + 21 33 1 0.000000e+00 3.176652e-06 ; 9.416678e-02 2.523030e-01 native_MD + 21 34 1 0.000000e+00 1.557525e-06 ; 2.296229e-02 5.571628e-02 native_MD 21 35 1 0.000000e+00 1.534814e-06 ; 3.704192e-02 6.025142e-02 native_MD - 21 36 1 0.000000e+00 9.258979e-07 ; 2.762543e-02 8.543904e-02 native_MD - 21 39 1 0.000000e+00 2.764436e-06 ; 1.009680e-02 1.793865e-02 native_MD + 21 36 1 0.000000e+00 9.258882e-07 ; 2.762543e-02 8.543904e-02 native_MD + 21 39 1 0.000000e+00 2.764410e-06 ; 1.009680e-02 1.793865e-02 native_MD 21 42 1 0.000000e+00 2.500000e-05 ; 1.575325e-04 3.023004e-04 native_MD - 21 45 1 0.000000e+00 3.678398e-06 ; 8.501962e-03 9.132014e-03 native_MD - 21 46 1 0.000000e+00 7.472752e-06 ; 3.223715e-02 1.873979e-02 native_MD - 21 47 1 0.000000e+00 2.719928e-06 ; 2.105483e-02 1.267026e-02 native_MD - 21 48 1 0.000000e+00 2.721110e-06 ; 1.180278e-02 3.849295e-03 native_MD + 21 45 1 0.000000e+00 3.678349e-06 ; 8.501962e-03 9.132014e-03 native_MD + 21 46 1 0.000000e+00 7.472741e-06 ; 3.223715e-02 1.873979e-02 native_MD + 21 47 1 0.000000e+00 2.719902e-06 ; 2.105483e-02 1.267026e-02 native_MD + 21 48 1 0.000000e+00 2.721085e-06 ; 1.180278e-02 3.849295e-03 native_MD 21 51 1 0.000000e+00 2.500000e-05 ; 0.000000e+00 0.000000e+00 native_MD 21 54 1 0.000000e+00 1.897280e-06 ; 4.988000e-05 4.900759e-04 native_MD 21 55 1 0.000000e+00 6.327260e-06 ; 3.196975e-04 2.072498e-03 native_MD 21 56 1 0.000000e+00 1.416111e-06 ; 7.868500e-04 2.964866e-03 native_MD 21 57 1 0.000000e+00 1.416111e-06 ; 2.392550e-04 9.830854e-04 native_MD 21 60 1 0.000000e+00 2.500000e-05 ; 0.000000e+00 0.000000e+00 native_MD - 21 63 1 0.000000e+00 3.668071e-06 ; 3.372170e-03 1.193108e-03 native_MD + 21 63 1 0.000000e+00 3.668023e-06 ; 3.372170e-03 1.193108e-03 native_MD 21 67 1 0.000000e+00 2.500000e-05 ; 4.388250e-05 0.000000e+00 native_MD 21 69 1 0.000000e+00 1.596026e-06 ; 1.151750e-05 4.147477e-04 native_MD 21 70 1 0.000000e+00 1.596026e-06 ; 1.106750e-05 4.371051e-04 native_MD @@ -990,77 +990,77 @@ TTR 3 21 77 1 0.000000e+00 1.897280e-06 ; 4.629750e-05 1.793820e-04 native_MD 21 87 1 0.000000e+00 2.500000e-05 ; 0.000000e+00 0.000000e+00 native_MD 21 90 1 0.000000e+00 1.897280e-06 ; 3.448375e-04 3.924219e-04 native_MD - 22 29 1 0.000000e+00 6.634120e-09 ; 9.993716e-01 4.269325e-01 fibril + 22 29 1 0.000000e+00 6.634225e-09 ; 9.993716e-01 4.269325e-01 fibril 22 31 1 0.000000e+00 1.521833e-08 ; 9.597729e-02 3.641715e-01 native_MD 23 27 1 0.000000e+00 5.000000e-07 ; 9.999927e-01 9.998175e-01 native_MD - 23 33 1 0.000000e+00 2.373791e-05 ; 1.000000e+00 1.000000e+00 native_MD - 23 34 1 0.000000e+00 1.305186e-05 ; 1.000000e+00 9.999996e-01 native_MD - 23 35 1 0.000000e+00 2.044414e-06 ; 8.138464e-01 3.060618e-01 native_MD - 23 36 1 0.000000e+00 1.090727e-05 ; 2.978457e-01 7.377503e-01 native_MD - 23 38 1 0.000000e+00 9.092344e-05 ; 3.252783e-01 7.122422e-01 native_MD + 23 33 1 0.000000e+00 2.373790e-05 ; 1.000000e+00 1.000000e+00 native_MD + 23 34 1 0.000000e+00 1.305179e-05 ; 1.000000e+00 9.999996e-01 native_MD + 23 35 1 0.000000e+00 2.044430e-06 ; 8.138464e-01 3.060618e-01 native_MD + 23 36 1 0.000000e+00 1.090725e-05 ; 2.978457e-01 7.377503e-01 native_MD + 23 38 1 0.000000e+00 9.092411e-05 ; 3.252783e-01 7.122422e-01 native_MD 23 63 1 3.180036e-03 2.111677e-05 ; 3.694310e-02 1.047051e-02 native_MD 23 68 1 3.314331e-03 3.736448e-05 ; 3.511980e-03 8.110243e-03 native_MD 23 84 1 6.296498e-04 1.138246e-06 ; 3.493625e-03 8.209844e-03 native_MD 24 29 1 0.000000e+00 1.500000e-06 ; 1.000000e+00 9.999945e-01 native_MD 24 30 1 0.000000e+00 2.700000e-06 ; 9.999985e-01 1.000000e+00 native_MD - 24 32 1 0.000000e+00 6.555577e-05 ; 9.999996e-01 1.000000e+00 native_MD - 24 33 1 0.000000e+00 1.934974e-05 ; 1.000000e+00 8.151406e-01 fibril - 24 34 1 0.000000e+00 8.278769e-06 ; 1.000000e+00 6.342978e-01 fibril - 24 35 1 0.000000e+00 1.893128e-06 ; 6.759340e-01 1.317256e-01 native_MD - 24 36 1 0.000000e+00 9.402055e-06 ; 1.042519e-01 3.454481e-01 native_MD - 24 40 1 0.000000e+00 1.392178e-05 ; 3.390791e-02 1.005588e-01 native_MD + 24 32 1 0.000000e+00 6.555625e-05 ; 9.999996e-01 1.000000e+00 native_MD + 24 33 1 0.000000e+00 1.934972e-05 ; 1.000000e+00 8.151406e-01 fibril + 24 34 1 0.000000e+00 8.278726e-06 ; 1.000000e+00 6.342978e-01 fibril + 24 35 1 0.000000e+00 1.893143e-06 ; 6.759340e-01 1.317256e-01 native_MD + 24 36 1 0.000000e+00 9.402040e-06 ; 1.042519e-01 3.454481e-01 native_MD + 24 40 1 0.000000e+00 1.392171e-05 ; 3.390791e-02 1.005588e-01 native_MD 24 41 1 7.589933e-04 1.677882e-06 ; 3.980408e-02 8.165478e-02 native_MD - 24 42 1 0.000000e+00 8.037480e-06 ; 1.410256e-02 7.515672e-02 native_MD - 24 49 1 0.000000e+00 1.325325e-05 ; 2.377922e-03 1.780721e-02 native_MD - 24 50 1 0.000000e+00 4.241079e-06 ; 2.285588e-03 2.337256e-02 native_MD + 24 42 1 0.000000e+00 8.037467e-06 ; 1.410256e-02 7.515672e-02 native_MD + 24 49 1 0.000000e+00 1.325318e-05 ; 2.377922e-03 1.780721e-02 native_MD + 24 50 1 0.000000e+00 4.241113e-06 ; 2.285588e-03 2.337256e-02 native_MD 24 51 1 0.000000e+00 6.327260e-06 ; 1.157015e-03 4.810826e-03 native_MD - 24 58 1 0.000000e+00 1.270852e-05 ; 3.030815e-02 4.001622e-03 native_MD + 24 58 1 0.000000e+00 1.270845e-05 ; 3.030815e-02 4.001622e-03 native_MD 24 59 1 1.448547e-03 4.660713e-06 ; 1.185223e-02 4.670424e-03 native_MD - 24 60 1 0.000000e+00 7.345983e-06 ; 3.179295e-02 1.560347e-03 native_MD + 24 60 1 0.000000e+00 7.345971e-06 ; 3.179295e-02 1.560347e-03 native_MD 24 62 1 2.338994e-03 1.160878e-05 ; 5.205989e-02 1.269838e-02 native_MD 24 63 1 1.533445e-03 5.165480e-06 ; 4.777796e-02 1.828033e-02 native_MD - 24 64 1 0.000000e+00 5.618956e-06 ; 3.020015e-02 9.839670e-03 native_MD - 24 65 1 0.000000e+00 1.296476e-05 ; 8.231290e-03 1.557488e-03 native_MD + 24 64 1 0.000000e+00 5.618937e-06 ; 3.020015e-02 9.839670e-03 native_MD + 24 65 1 0.000000e+00 1.296469e-05 ; 8.231290e-03 1.557488e-03 native_MD 24 66 1 8.100308e-04 1.805959e-06 ; 3.938807e-03 2.935395e-03 native_MD - 24 67 1 0.000000e+00 7.562846e-06 ; 1.992385e-03 3.885622e-04 native_MD + 24 67 1 0.000000e+00 7.562834e-06 ; 1.992385e-03 3.885622e-04 native_MD 24 70 1 3.218755e-03 2.959233e-05 ; 9.044687e-03 1.312002e-02 native_MD - 24 72 1 0.000000e+00 1.304629e-05 ; 2.109590e-03 1.682427e-03 native_MD + 24 72 1 0.000000e+00 1.304622e-05 ; 2.109590e-03 1.682427e-03 native_MD 24 73 1 1.063450e-03 2.827313e-06 ; 7.569525e-04 1.820250e-03 native_MD - 24 74 1 0.000000e+00 7.580493e-06 ; 1.382937e-03 2.108739e-03 native_MD + 24 74 1 0.000000e+00 7.580481e-06 ; 1.382937e-03 2.108739e-03 native_MD 24 81 1 6.388726e-04 1.000131e-06 ; 6.949490e-03 7.526943e-03 native_MD 24 82 1 6.388726e-04 1.000131e-06 ; 6.949490e-03 7.526943e-03 native_MD 24 83 1 9.428762e-04 2.243873e-06 ; 5.975587e-03 7.904785e-03 native_MD - 24 84 1 0.000000e+00 5.749742e-06 ; 5.152555e-03 7.594133e-03 native_MD - 24 85 1 0.000000e+00 1.304293e-05 ; 1.785005e-03 1.100555e-03 native_MD + 24 84 1 0.000000e+00 5.749723e-06 ; 5.152555e-03 7.594133e-03 native_MD + 24 85 1 0.000000e+00 1.304286e-05 ; 1.785005e-03 1.100555e-03 native_MD 24 86 1 1.063450e-03 2.827313e-06 ; 4.231900e-04 1.724472e-03 native_MD - 24 87 1 0.000000e+00 7.555449e-06 ; 3.181715e-03 6.013825e-04 native_MD - 24 91 1 0.000000e+00 5.735869e-06 ; 2.878947e-03 2.901852e-03 native_MD - 24 92 1 0.000000e+00 1.305364e-05 ; 1.955940e-03 2.091722e-03 native_MD - 24 93 1 0.000000e+00 3.360978e-06 ; 1.566720e-03 1.200491e-03 native_MD - 24 94 1 0.000000e+00 3.360978e-06 ; 1.566720e-03 1.200491e-03 native_MD + 24 87 1 0.000000e+00 7.555437e-06 ; 3.181715e-03 6.013825e-04 native_MD + 24 91 1 0.000000e+00 5.735850e-06 ; 2.878947e-03 2.901852e-03 native_MD + 24 92 1 0.000000e+00 1.305357e-05 ; 1.955940e-03 2.091722e-03 native_MD + 24 93 1 0.000000e+00 3.361005e-06 ; 1.566720e-03 1.200491e-03 native_MD + 24 94 1 0.000000e+00 3.361005e-06 ; 1.566720e-03 1.200491e-03 native_MD 25 28 1 0.000000e+00 1.200000e-06 ; 9.999978e-01 1.000000e+00 native_MD - 25 29 1 0.000000e+00 1.951920e-06 ; 1.000000e+00 9.683796e-01 fibril - 25 30 1 0.000000e+00 3.637422e-06 ; 1.000000e+00 9.894835e-01 fibril - 25 32 1 0.000000e+00 2.414676e-05 ; 1.000000e+00 7.590063e-01 fibril - 25 33 1 0.000000e+00 1.232228e-05 ; 1.094730e-01 1.791330e-01 native_MD - 25 34 1 0.000000e+00 6.178157e-06 ; 1.875640e-01 1.629658e-01 native_MD + 25 29 1 0.000000e+00 1.951913e-06 ; 1.000000e+00 9.683796e-01 fibril + 25 30 1 0.000000e+00 3.637374e-06 ; 1.000000e+00 9.894835e-01 fibril + 25 32 1 0.000000e+00 2.414666e-05 ; 1.000000e+00 7.590063e-01 fibril + 25 33 1 0.000000e+00 1.232213e-05 ; 1.094730e-01 1.791330e-01 native_MD + 25 34 1 0.000000e+00 6.178053e-06 ; 1.875640e-01 1.629658e-01 native_MD 25 35 1 6.464442e-04 8.477167e-07 ; 1.721602e-01 5.297033e-02 native_MD - 25 36 1 0.000000e+00 4.101011e-06 ; 2.013698e-02 1.357301e-01 native_MD - 25 40 1 0.000000e+00 6.666639e-06 ; 7.010707e-03 5.953367e-02 native_MD - 25 41 1 0.000000e+00 2.096016e-06 ; 7.091027e-03 4.695861e-02 native_MD - 25 42 1 0.000000e+00 3.802957e-06 ; 3.620155e-03 3.813391e-02 native_MD - 25 49 1 0.000000e+00 6.385378e-06 ; 2.184040e-03 1.030168e-02 native_MD - 25 50 1 0.000000e+00 2.036803e-06 ; 1.841107e-03 1.233218e-02 native_MD + 25 36 1 0.000000e+00 4.100957e-06 ; 2.013698e-02 1.357301e-01 native_MD + 25 40 1 0.000000e+00 6.666528e-06 ; 7.010707e-03 5.953367e-02 native_MD + 25 41 1 0.000000e+00 2.096008e-06 ; 7.091027e-03 4.695861e-02 native_MD + 25 42 1 0.000000e+00 3.802907e-06 ; 3.620155e-03 3.813391e-02 native_MD + 25 49 1 0.000000e+00 6.385271e-06 ; 2.184040e-03 1.030168e-02 native_MD + 25 50 1 0.000000e+00 2.036795e-06 ; 1.841107e-03 1.233218e-02 native_MD 25 51 1 0.000000e+00 1.897280e-06 ; 9.543725e-04 3.138835e-03 native_MD - 25 58 1 0.000000e+00 6.275509e-06 ; 1.240477e-02 3.176398e-03 native_MD + 25 58 1 0.000000e+00 6.275404e-06 ; 1.240477e-02 3.176398e-03 native_MD 25 59 1 5.623824e-04 7.444680e-07 ; 8.591452e-03 4.094249e-03 native_MD - 25 60 1 0.000000e+00 3.637765e-06 ; 1.137965e-02 9.562746e-04 native_MD + 25 60 1 0.000000e+00 3.637717e-06 ; 1.137965e-02 9.562746e-04 native_MD 25 62 1 1.610366e-03 5.218964e-06 ; 3.826194e-02 8.630947e-03 native_MD 25 63 1 1.492056e-03 4.749573e-06 ; 2.959655e-02 1.237675e-02 native_MD - 25 64 1 0.000000e+00 2.764443e-06 ; 1.460246e-02 7.754192e-03 native_MD - 25 65 1 0.000000e+00 6.309646e-06 ; 4.515592e-03 6.766784e-04 native_MD + 25 64 1 0.000000e+00 2.764402e-06 ; 1.460246e-02 7.754192e-03 native_MD + 25 65 1 0.000000e+00 6.309540e-06 ; 4.515592e-03 6.766784e-04 native_MD 25 66 1 5.672109e-04 8.043206e-07 ; 1.032820e-03 1.702805e-03 native_MD - 25 67 1 0.000000e+00 3.670208e-06 ; 2.131280e-03 5.334581e-04 native_MD + 25 67 1 0.000000e+00 3.670160e-06 ; 2.131280e-03 5.334581e-04 native_MD 25 72 1 0.000000e+00 4.203747e-06 ; 1.100450e-03 1.470527e-03 native_MD 25 73 1 5.672109e-04 8.043206e-07 ; 5.189375e-04 1.097559e-03 native_MD 25 74 1 0.000000e+00 1.897280e-06 ; 3.700300e-04 1.474881e-03 native_MD @@ -1070,7 +1070,7 @@ TTR 3 25 81 1 8.351999e-04 1.706670e-06 ; 7.004385e-03 6.166288e-03 native_MD 25 82 1 8.351999e-04 1.706670e-06 ; 7.004385e-03 6.166288e-03 native_MD 25 83 1 9.730901e-04 2.350754e-06 ; 6.498162e-03 6.073056e-03 native_MD - 25 84 1 0.000000e+00 2.787351e-06 ; 4.910030e-03 6.291489e-03 native_MD + 25 84 1 0.000000e+00 2.787309e-06 ; 4.910030e-03 6.291489e-03 native_MD 25 85 1 0.000000e+00 4.203747e-06 ; 6.668425e-04 1.539376e-03 native_MD 25 86 1 5.672109e-04 8.043206e-07 ; 6.158475e-04 1.755126e-03 native_MD 25 87 1 0.000000e+00 1.897280e-06 ; 2.393950e-04 4.511076e-04 native_MD @@ -1078,63 +1078,63 @@ TTR 3 25 92 1 0.000000e+00 4.203747e-06 ; 7.257700e-04 9.790766e-04 native_MD 25 93 1 0.000000e+00 6.532924e-07 ; 5.508050e-04 9.658886e-04 native_MD 25 94 1 0.000000e+00 6.532924e-07 ; 5.648525e-04 3.884948e-04 native_MD - 26 28 1 0.000000e+00 1.181529e-06 ; 1.000000e+00 9.999984e-01 native_MD + 26 28 1 0.000000e+00 1.181513e-06 ; 1.000000e+00 9.999984e-01 native_MD 26 29 1 0.000000e+00 1.351767e-06 ; 9.997436e-01 8.985297e-01 fibril - 26 30 1 0.000000e+00 2.640058e-06 ; 9.998883e-01 9.623851e-01 fibril - 26 32 1 0.000000e+00 1.768607e-05 ; 1.000000e+00 7.450558e-01 fibril - 26 33 1 0.000000e+00 4.318703e-06 ; 6.599997e-01 1.624338e-01 fibril - 26 34 1 0.000000e+00 1.134074e-06 ; 1.000000e+00 2.399591e-01 fibril + 26 30 1 0.000000e+00 2.640033e-06 ; 9.998883e-01 9.623851e-01 fibril + 26 32 1 0.000000e+00 1.768606e-05 ; 1.000000e+00 7.450558e-01 fibril + 26 33 1 0.000000e+00 4.318667e-06 ; 6.599997e-01 1.624338e-01 fibril + 26 34 1 0.000000e+00 1.134060e-06 ; 1.000000e+00 2.399591e-01 fibril 26 35 1 5.683103e-04 5.775399e-07 ; 5.499247e-01 7.302692e-02 native_MD 26 36 1 1.625633e-03 8.528921e-06 ; 9.998203e-01 1.880612e-01 fibril - 26 40 1 0.000000e+00 4.903084e-06 ; 5.239963e-02 8.984445e-02 native_MD + 26 40 1 0.000000e+00 4.903020e-06 ; 5.239963e-02 8.984445e-02 native_MD 26 41 1 2.943497e-04 2.254931e-07 ; 4.685544e-02 5.722518e-02 native_MD - 26 42 1 0.000000e+00 2.885587e-06 ; 1.746580e-02 6.947612e-02 native_MD + 26 42 1 0.000000e+00 2.885559e-06 ; 1.746580e-02 6.947612e-02 native_MD 26 47 1 1.178186e-03 2.363477e-06 ; 7.463562e-02 8.761363e-02 native_MD - 26 49 1 0.000000e+00 4.805655e-06 ; 2.335132e-03 1.916485e-02 native_MD + 26 49 1 0.000000e+00 4.805592e-06 ; 2.335132e-03 1.916485e-02 native_MD 26 50 1 0.000000e+00 1.529143e-06 ; 1.592332e-03 1.831543e-02 native_MD - 26 51 1 0.000000e+00 2.745667e-06 ; 7.065470e-03 8.064854e-03 native_MD - 26 58 1 0.000000e+00 4.568018e-06 ; 3.925982e-02 5.807818e-03 native_MD + 26 51 1 0.000000e+00 2.745641e-06 ; 7.065470e-03 8.064854e-03 native_MD + 26 58 1 0.000000e+00 4.567958e-06 ; 3.925982e-02 5.807818e-03 native_MD 26 59 1 4.517162e-04 3.920697e-07 ; 2.914747e-02 6.329835e-03 native_MD - 26 60 1 0.000000e+00 2.644926e-06 ; 3.844687e-02 2.718425e-03 native_MD + 26 60 1 0.000000e+00 2.644901e-06 ; 3.844687e-02 2.718425e-03 native_MD 26 62 1 1.032002e-03 1.881539e-06 ; 5.148266e-02 1.395512e-02 native_MD 26 63 1 1.043048e-03 1.947353e-06 ; 4.689559e-02 1.630159e-02 native_MD - 26 64 1 0.000000e+00 2.034674e-06 ; 2.986097e-02 9.517469e-03 native_MD - 26 65 1 0.000000e+00 4.668421e-06 ; 1.590703e-02 3.699383e-03 native_MD + 26 64 1 0.000000e+00 2.034651e-06 ; 2.986097e-02 9.517469e-03 native_MD + 26 65 1 0.000000e+00 4.668360e-06 ; 1.590703e-02 3.699383e-03 native_MD 26 66 1 3.448992e-04 3.213147e-07 ; 4.298392e-03 4.000237e-03 native_MD - 26 67 1 0.000000e+00 2.738279e-06 ; 4.653017e-03 2.958908e-03 native_MD - 26 72 1 0.000000e+00 4.731044e-06 ; 2.757667e-03 3.800350e-03 native_MD + 26 67 1 0.000000e+00 2.738253e-06 ; 4.653017e-03 2.958908e-03 native_MD + 26 72 1 0.000000e+00 4.730982e-06 ; 2.757667e-03 3.800350e-03 native_MD 26 73 1 4.427933e-04 4.901648e-07 ; 8.819675e-04 2.129809e-03 native_MD - 26 74 1 0.000000e+00 2.746826e-06 ; 2.278732e-03 3.700664e-03 native_MD - 26 84 1 0.000000e+00 2.079844e-06 ; 4.415472e-03 5.820344e-03 native_MD - 26 85 1 0.000000e+00 4.720082e-06 ; 3.615740e-03 2.339105e-03 native_MD + 26 74 1 0.000000e+00 2.746800e-06 ; 2.278732e-03 3.700664e-03 native_MD + 26 84 1 0.000000e+00 2.079821e-06 ; 4.415472e-03 5.820344e-03 native_MD + 26 85 1 0.000000e+00 4.720020e-06 ; 3.615740e-03 2.339105e-03 native_MD 26 86 1 4.427933e-04 4.901648e-07 ; 4.754925e-04 1.928461e-03 native_MD - 26 87 1 0.000000e+00 2.737152e-06 ; 3.827162e-03 1.721937e-03 native_MD - 26 91 1 0.000000e+00 2.075527e-06 ; 3.929997e-03 3.256111e-03 native_MD - 26 92 1 0.000000e+00 4.718654e-06 ; 4.031792e-03 2.453026e-03 native_MD + 26 87 1 0.000000e+00 2.737126e-06 ; 3.827162e-03 1.721937e-03 native_MD + 26 91 1 0.000000e+00 2.075503e-06 ; 3.929997e-03 3.256111e-03 native_MD + 26 92 1 0.000000e+00 4.718593e-06 ; 4.031792e-03 2.453026e-03 native_MD 26 93 1 0.000000e+00 1.216480e-06 ; 2.481162e-03 1.672096e-03 native_MD 26 94 1 0.000000e+00 1.216480e-06 ; 2.481162e-03 1.672096e-03 native_MD - 27 28 1 0.000000e+00 4.459195e-06 ; 9.999591e-01 9.434812e-01 fibril + 27 28 1 0.000000e+00 4.459136e-06 ; 9.999591e-01 9.434812e-01 fibril 27 29 1 0.000000e+00 1.614714e-06 ; 1.586372e-01 2.322562e-01 native_MD - 27 30 1 0.000000e+00 2.592091e-06 ; 2.815731e-01 2.265824e-01 native_MD - 27 32 1 0.000000e+00 2.330818e-05 ; 1.858045e-01 1.677013e-01 native_MD - 27 34 1 0.000000e+00 4.536690e-06 ; 5.722447e-02 1.714379e-02 native_MD - 27 36 1 0.000000e+00 2.854285e-06 ; 1.360023e-02 5.419888e-02 native_MD - 27 40 1 0.000000e+00 4.873333e-06 ; 6.376165e-03 3.752581e-02 native_MD + 27 30 1 0.000000e+00 2.592066e-06 ; 2.815731e-01 2.265824e-01 native_MD + 27 32 1 0.000000e+00 2.330817e-05 ; 1.858045e-01 1.677013e-01 native_MD + 27 34 1 0.000000e+00 4.536630e-06 ; 5.722447e-02 1.714379e-02 native_MD + 27 36 1 0.000000e+00 2.854258e-06 ; 1.360023e-02 5.419888e-02 native_MD + 27 40 1 0.000000e+00 4.873269e-06 ; 6.376165e-03 3.752581e-02 native_MD 27 41 1 0.000000e+00 1.552233e-06 ; 5.925067e-03 3.800087e-02 native_MD - 27 42 1 0.000000e+00 2.797431e-06 ; 3.173827e-03 2.304498e-02 native_MD - 27 49 1 0.000000e+00 4.768664e-06 ; 3.007245e-03 1.201000e-02 native_MD + 27 42 1 0.000000e+00 2.797405e-06 ; 3.173827e-03 2.304498e-02 native_MD + 27 49 1 0.000000e+00 4.768601e-06 ; 3.007245e-03 1.201000e-02 native_MD 27 50 1 0.000000e+00 1.517524e-06 ; 2.397885e-03 1.139556e-02 native_MD 27 51 1 0.000000e+00 1.416111e-06 ; 1.249092e-03 6.308560e-03 native_MD - 27 58 1 0.000000e+00 4.697064e-06 ; 1.279687e-02 6.649726e-03 native_MD + 27 58 1 0.000000e+00 4.697002e-06 ; 1.279687e-02 6.649726e-03 native_MD 27 59 1 3.910019e-04 3.485308e-07 ; 1.103816e-02 6.761947e-03 native_MD - 27 60 1 0.000000e+00 2.723206e-06 ; 1.099905e-02 3.809479e-03 native_MD + 27 60 1 0.000000e+00 2.723180e-06 ; 1.099905e-02 3.809479e-03 native_MD 27 62 1 1.259277e-03 3.120314e-06 ; 2.637081e-02 1.519706e-02 native_MD 27 63 1 1.356228e-03 3.797473e-06 ; 1.827612e-02 1.792879e-02 native_MD - 27 64 1 0.000000e+00 2.082397e-06 ; 8.204795e-03 1.083885e-02 native_MD - 27 65 1 0.000000e+00 4.709608e-06 ; 7.297420e-03 3.804613e-03 native_MD + 27 64 1 0.000000e+00 2.082374e-06 ; 8.204795e-03 1.083885e-02 native_MD + 27 65 1 0.000000e+00 4.709547e-06 ; 7.297420e-03 3.804613e-03 native_MD 27 66 1 2.670372e-04 2.209114e-07 ; 2.355990e-03 4.148032e-03 native_MD - 27 67 1 0.000000e+00 2.733799e-06 ; 5.560745e-03 2.233383e-03 native_MD - 27 72 1 0.000000e+00 4.735419e-06 ; 2.233625e-03 4.202196e-03 native_MD + 27 67 1 0.000000e+00 2.733774e-06 ; 5.560745e-03 2.233383e-03 native_MD + 27 72 1 0.000000e+00 4.735357e-06 ; 2.233625e-03 4.202196e-03 native_MD 27 73 1 1.823192e-04 1.154262e-07 ; 1.515155e-03 2.193220e-03 native_MD 27 74 1 0.000000e+00 1.416111e-06 ; 1.006595e-03 3.440982e-03 native_MD 27 77 1 7.570261e-04 1.839335e-06 ; 2.043562e-03 9.941287e-03 native_MD @@ -1144,7 +1144,7 @@ TTR 3 27 81 1 5.944554e-04 8.542260e-07 ; 7.458677e-03 8.184084e-03 native_MD 27 82 1 5.944554e-04 8.542260e-07 ; 7.458677e-03 8.184084e-03 native_MD 27 83 1 8.143957e-04 1.573540e-06 ; 8.235560e-03 8.017974e-03 native_MD - 27 84 1 0.000000e+00 2.079235e-06 ; 5.919142e-03 7.030743e-03 native_MD + 27 84 1 0.000000e+00 2.079212e-06 ; 5.919142e-03 7.030743e-03 native_MD 27 85 1 0.000000e+00 3.137637e-06 ; 1.223090e-03 2.613092e-03 native_MD 27 86 1 4.427933e-04 4.901648e-07 ; 9.517500e-04 3.065292e-03 native_MD 27 87 1 0.000000e+00 1.416111e-06 ; 6.758000e-04 1.058211e-03 native_MD @@ -1152,40 +1152,40 @@ TTR 3 27 92 1 0.000000e+00 3.137637e-06 ; 1.323805e-03 2.281246e-03 native_MD 27 93 1 0.000000e+00 4.876112e-07 ; 1.033035e-03 1.573423e-03 native_MD 27 94 1 0.000000e+00 4.876112e-07 ; 8.742025e-04 1.641077e-03 native_MD - 28 33 1 0.000000e+00 1.299682e-06 ; 1.000000e+00 1.000000e+00 native_MD - 28 34 1 0.000000e+00 1.299285e-06 ; 9.999989e-01 1.000000e+00 native_MD - 28 35 1 0.000000e+00 6.462368e-07 ; 1.000000e+00 7.814770e-01 fibril - 28 36 1 0.000000e+00 1.450349e-06 ; 1.000000e+00 9.616750e-01 fibril - 28 38 1 0.000000e+00 1.286555e-05 ; 8.654291e-01 8.511543e-01 native_MD - 28 39 1 0.000000e+00 5.368471e-06 ; 1.193044e-01 2.552205e-01 native_MD - 28 40 1 0.000000e+00 2.847888e-06 ; 6.291046e-02 1.588549e-01 native_MD - 28 45 1 0.000000e+00 6.688629e-06 ; 6.911582e-02 1.251105e-01 native_MD - 28 46 1 0.000000e+00 1.344575e-05 ; 8.356450e-02 1.137433e-01 native_MD - 28 47 1 0.000000e+00 4.673059e-06 ; 5.577553e-02 4.454916e-02 native_MD - 28 48 1 0.000000e+00 4.651658e-06 ; 3.298484e-02 1.723042e-02 native_MD - 28 54 1 0.000000e+00 6.393561e-06 ; 1.418301e-02 2.359259e-02 native_MD - 28 55 1 0.000000e+00 1.337142e-05 ; 1.553950e-02 4.002278e-02 native_MD - 28 56 1 0.000000e+00 4.786077e-06 ; 1.200528e-02 2.469255e-02 native_MD - 28 57 1 0.000000e+00 4.755006e-06 ; 4.261537e-03 1.037451e-02 native_MD - 28 63 1 0.000000e+00 6.179129e-06 ; 2.878950e-02 4.344801e-03 native_MD + 28 33 1 0.000000e+00 1.299665e-06 ; 1.000000e+00 1.000000e+00 native_MD + 28 34 1 0.000000e+00 1.299262e-06 ; 9.999989e-01 1.000000e+00 native_MD + 28 35 1 0.000000e+00 6.462338e-07 ; 1.000000e+00 7.814770e-01 fibril + 28 36 1 0.000000e+00 1.450329e-06 ; 1.000000e+00 9.616750e-01 fibril + 28 38 1 0.000000e+00 1.286549e-05 ; 8.654291e-01 8.511543e-01 native_MD + 28 39 1 0.000000e+00 5.368401e-06 ; 1.193044e-01 2.552205e-01 native_MD + 28 40 1 0.000000e+00 2.847838e-06 ; 6.291046e-02 1.588549e-01 native_MD + 28 45 1 0.000000e+00 6.688517e-06 ; 6.911582e-02 1.251105e-01 native_MD + 28 46 1 0.000000e+00 1.344568e-05 ; 8.356450e-02 1.137433e-01 native_MD + 28 47 1 0.000000e+00 4.672997e-06 ; 5.577553e-02 4.454916e-02 native_MD + 28 48 1 0.000000e+00 4.651598e-06 ; 3.298484e-02 1.723042e-02 native_MD + 28 54 1 0.000000e+00 6.393454e-06 ; 1.418301e-02 2.359259e-02 native_MD + 28 55 1 0.000000e+00 1.337135e-05 ; 1.553950e-02 4.002278e-02 native_MD + 28 56 1 0.000000e+00 4.786015e-06 ; 1.200528e-02 2.469255e-02 native_MD + 28 57 1 0.000000e+00 4.754944e-06 ; 4.261537e-03 1.037451e-02 native_MD + 28 63 1 0.000000e+00 6.179026e-06 ; 2.878950e-02 4.344801e-03 native_MD 28 69 1 0.000000e+00 3.536268e-06 ; 5.537000e-05 1.568801e-03 native_MD 28 70 1 0.000000e+00 3.536268e-06 ; 1.713000e-05 1.839707e-03 native_MD 28 71 1 0.000000e+00 3.536268e-06 ; 7.211000e-05 1.242527e-03 native_MD - 28 77 1 0.000000e+00 6.327045e-06 ; 2.599912e-03 1.507952e-03 native_MD - 28 90 1 0.000000e+00 6.321349e-06 ; 3.034632e-03 1.043489e-03 native_MD + 28 77 1 0.000000e+00 6.326938e-06 ; 2.599912e-03 1.507952e-03 native_MD + 28 90 1 0.000000e+00 6.321243e-06 ; 3.034632e-03 1.043489e-03 native_MD 29 33 1 0.000000e+00 1.503260e-06 ; 1.000000e+00 9.995138e-01 fibril - 29 34 1 0.000000e+00 8.161551e-07 ; 1.000000e+00 9.869546e-01 fibril + 29 34 1 0.000000e+00 8.161513e-07 ; 1.000000e+00 9.869546e-01 fibril 29 35 1 0.000000e+00 1.188294e-06 ; 9.436273e-01 7.358230e-01 native_MD 29 36 1 0.000000e+00 1.288239e-06 ; 9.796611e-01 8.384869e-01 fibril - 29 37 1 0.000000e+00 1.721816e-08 ; 1.150682e-01 2.247573e-01 native_MD - 29 38 1 0.000000e+00 3.686397e-06 ; 6.962226e-01 5.837636e-01 native_MD + 29 37 1 0.000000e+00 1.721843e-08 ; 1.150682e-01 2.247573e-01 native_MD + 29 38 1 0.000000e+00 3.686426e-06 ; 6.962226e-01 5.837636e-01 native_MD 29 39 1 6.292321e-04 9.861063e-07 ; 1.118513e-01 1.097280e-01 native_MD 29 45 1 2.622439e-04 1.985625e-07 ; 7.630197e-02 1.506525e-01 native_MD 29 46 1 3.359790e-04 3.082433e-07 ; 8.462949e-02 1.298949e-01 native_MD 29 47 1 3.326135e-04 2.779664e-07 ; 5.750019e-02 5.897400e-02 native_MD 29 48 1 3.486975e-04 2.965563e-07 ; 3.449167e-02 3.038175e-02 native_MD - 29 54 1 0.000000e+00 2.090181e-06 ; 3.685217e-03 4.065816e-02 native_MD - 29 55 1 0.000000e+00 4.337980e-06 ; 1.163380e-02 5.605078e-02 native_MD + 29 54 1 0.000000e+00 2.090173e-06 ; 3.685217e-03 4.065816e-02 native_MD + 29 55 1 0.000000e+00 4.338015e-06 ; 1.163380e-02 5.605078e-02 native_MD 29 56 1 0.000000e+00 1.548990e-06 ; 5.539155e-03 3.545850e-02 native_MD 29 57 1 0.000000e+00 1.526643e-06 ; 3.957805e-03 1.901838e-02 native_MD 29 63 1 5.015590e-04 4.932268e-07 ; 2.530675e-02 5.493230e-03 native_MD @@ -1194,110 +1194,110 @@ TTR 3 29 71 1 5.202448e-04 6.766365e-07 ; 5.611500e-05 1.810331e-03 native_MD 29 77 1 3.975632e-04 5.069914e-07 ; 2.048232e-03 1.914954e-03 native_MD 29 90 1 2.635089e-04 2.080733e-07 ; 2.705860e-03 6.354656e-04 native_MD - 30 36 1 0.000000e+00 3.002258e-07 ; 1.000000e+00 1.000000e+00 native_MD - 30 38 1 0.000000e+00 7.574874e-06 ; 9.999954e-01 9.999794e-01 native_MD - 30 39 1 0.000000e+00 3.195168e-06 ; 2.186091e-01 3.834847e-01 fibril - 30 40 1 0.000000e+00 1.573687e-06 ; 2.108491e-02 6.454122e-02 native_MD + 30 36 1 0.000000e+00 3.002227e-07 ; 1.000000e+00 1.000000e+00 native_MD + 30 38 1 0.000000e+00 7.574862e-06 ; 9.999954e-01 9.999794e-01 native_MD + 30 39 1 0.000000e+00 3.195138e-06 ; 2.186091e-01 3.834847e-01 fibril + 30 40 1 0.000000e+00 1.573665e-06 ; 2.108491e-02 6.454122e-02 native_MD 30 41 1 0.000000e+00 1.569378e-06 ; 5.272622e-02 9.897849e-02 native_MD - 30 42 1 0.000000e+00 9.305031e-07 ; 2.015953e-02 8.323446e-02 native_MD - 30 45 1 0.000000e+00 3.688099e-06 ; 6.265372e-03 9.534458e-03 native_MD - 30 46 1 0.000000e+00 7.346541e-06 ; 5.007468e-02 1.991568e-02 native_MD - 30 47 1 0.000000e+00 2.722437e-06 ; 1.272063e-02 5.250929e-03 native_MD - 30 48 1 0.000000e+00 2.716662e-06 ; 1.290648e-02 3.331228e-03 native_MD + 30 42 1 0.000000e+00 9.304934e-07 ; 2.015953e-02 8.323446e-02 native_MD + 30 45 1 0.000000e+00 3.688051e-06 ; 6.265372e-03 9.534458e-03 native_MD + 30 46 1 0.000000e+00 7.346529e-06 ; 5.007468e-02 1.991568e-02 native_MD + 30 47 1 0.000000e+00 2.722412e-06 ; 1.272063e-02 5.250929e-03 native_MD + 30 48 1 0.000000e+00 2.716636e-06 ; 1.290648e-02 3.331228e-03 native_MD 30 51 1 0.000000e+00 2.500000e-05 ; 5.307000e-05 6.103092e-04 native_MD - 30 54 1 0.000000e+00 3.586399e-06 ; 3.624534e-02 1.184897e-02 native_MD - 30 55 1 0.000000e+00 7.426686e-06 ; 3.819558e-02 1.861682e-02 native_MD - 30 56 1 0.000000e+00 2.715389e-06 ; 2.350266e-02 1.346339e-02 native_MD - 30 57 1 0.000000e+00 2.730076e-06 ; 9.415225e-03 4.730226e-03 native_MD + 30 54 1 0.000000e+00 3.586351e-06 ; 3.624534e-02 1.184897e-02 native_MD + 30 55 1 0.000000e+00 7.426674e-06 ; 3.819558e-02 1.861682e-02 native_MD + 30 56 1 0.000000e+00 2.715364e-06 ; 2.350266e-02 1.346339e-02 native_MD + 30 57 1 0.000000e+00 2.730050e-06 ; 9.415225e-03 4.730226e-03 native_MD 30 60 1 0.000000e+00 2.500000e-05 ; 3.303825e-04 6.762160e-05 native_MD - 30 63 1 0.000000e+00 3.646939e-06 ; 1.050238e-02 2.574719e-03 native_MD + 30 63 1 0.000000e+00 3.646891e-06 ; 1.050238e-02 2.574719e-03 native_MD 30 67 1 0.000000e+00 2.500000e-05 ; 2.000000e-08 0.000000e+00 native_MD 30 69 1 0.000000e+00 1.596026e-06 ; 2.032950e-04 6.582189e-04 native_MD 30 70 1 0.000000e+00 1.596026e-06 ; 8.932500e-05 1.247189e-03 native_MD 30 71 1 0.000000e+00 1.596026e-06 ; 1.564325e-04 9.859435e-04 native_MD 30 74 1 0.000000e+00 2.500000e-05 ; 1.049730e-03 0.000000e+00 native_MD - 30 77 1 0.000000e+00 3.670285e-06 ; 2.599170e-03 1.022271e-03 native_MD + 30 77 1 0.000000e+00 3.670237e-06 ; 2.599170e-03 1.022271e-03 native_MD 30 87 1 0.000000e+00 2.500000e-05 ; 2.929200e-04 0.000000e+00 native_MD - 30 90 1 0.000000e+00 3.671179e-06 ; 2.086045e-03 7.524987e-04 native_MD - 31 35 1 0.000000e+00 3.692410e-09 ; 9.998867e-01 2.378580e-01 fibril + 30 90 1 0.000000e+00 3.671131e-06 ; 2.086045e-03 7.524987e-04 native_MD + 31 35 1 0.000000e+00 3.692469e-09 ; 9.998867e-01 2.378580e-01 fibril 31 37 1 0.000000e+00 1.740673e-08 ; 1.390292e-01 5.895897e-01 native_MD - 32 39 1 0.000000e+00 2.373791e-05 ; 1.000000e+00 1.000000e+00 native_MD - 32 40 1 0.000000e+00 1.305187e-05 ; 9.999994e-01 1.000000e+00 native_MD - 32 41 1 0.000000e+00 1.239707e-06 ; 9.906918e-01 2.891651e-01 fibril - 32 42 1 0.000000e+00 1.052856e-05 ; 3.643247e-01 7.542344e-01 native_MD - 32 44 1 0.000000e+00 8.820287e-05 ; 3.884272e-01 7.338909e-01 native_MD + 32 39 1 0.000000e+00 2.373790e-05 ; 1.000000e+00 1.000000e+00 native_MD + 32 40 1 0.000000e+00 1.305181e-05 ; 9.999994e-01 1.000000e+00 native_MD + 32 41 1 0.000000e+00 1.239717e-06 ; 9.906918e-01 2.891651e-01 fibril + 32 42 1 0.000000e+00 1.052854e-05 ; 3.643247e-01 7.542344e-01 native_MD + 32 44 1 0.000000e+00 8.820352e-05 ; 3.884272e-01 7.338909e-01 native_MD 32 53 1 3.965369e-03 5.393334e-05 ; 8.587278e-02 2.045434e-01 native_MD 32 54 1 2.126935e-03 1.397757e-05 ; 8.064948e-02 1.636422e-01 native_MD 32 55 1 1.841231e-03 1.089824e-05 ; 9.488287e-02 1.764443e-01 native_MD 32 56 1 1.545540e-03 5.561131e-06 ; 6.648540e-02 1.038993e-01 native_MD 32 57 1 2.711270e-03 1.673522e-05 ; 4.258697e-02 5.883643e-02 native_MD - 32 68 1 0.000000e+00 6.629724e-05 ; 4.319235e-03 1.563016e-02 native_MD - 32 69 1 0.000000e+00 2.818669e-05 ; 1.387162e-03 8.881830e-03 native_MD - 32 71 1 0.000000e+00 2.831083e-05 ; 1.671370e-03 1.360325e-02 native_MD + 32 68 1 0.000000e+00 6.629772e-05 ; 4.319235e-03 1.563016e-02 native_MD + 32 69 1 0.000000e+00 2.818658e-05 ; 1.387162e-03 8.881830e-03 native_MD + 32 71 1 0.000000e+00 2.831072e-05 ; 1.671370e-03 1.360325e-02 native_MD 33 35 1 0.000000e+00 1.500000e-06 ; 9.999988e-01 1.000000e+00 native_MD 33 36 1 0.000000e+00 2.700000e-06 ; 1.000000e+00 1.000000e+00 native_MD - 33 38 1 0.000000e+00 2.373791e-05 ; 1.000000e+00 1.000000e+00 native_MD - 33 39 1 0.000000e+00 7.790490e-06 ; 4.237617e-01 3.301004e-01 native_MD - 33 40 1 0.000000e+00 2.797364e-06 ; 6.502182e-01 2.421132e-01 native_MD - 33 41 1 0.000000e+00 8.819554e-07 ; 4.516096e-01 3.801940e-02 native_MD - 33 42 1 0.000000e+00 2.968030e-06 ; 1.312309e-01 2.132981e-01 native_MD - 33 49 1 0.000000e+00 4.852066e-06 ; 3.356748e-02 6.021724e-02 native_MD + 33 38 1 0.000000e+00 2.373790e-05 ; 1.000000e+00 1.000000e+00 native_MD + 33 39 1 0.000000e+00 7.790425e-06 ; 4.237617e-01 3.301004e-01 native_MD + 33 40 1 0.000000e+00 2.797328e-06 ; 6.502182e-01 2.421132e-01 native_MD + 33 41 1 0.000000e+00 8.819555e-07 ; 4.516096e-01 3.801940e-02 native_MD + 33 42 1 0.000000e+00 2.968002e-06 ; 1.312309e-01 2.132981e-01 native_MD + 33 49 1 0.000000e+00 4.852002e-06 ; 3.356748e-02 6.021724e-02 native_MD 33 50 1 2.732302e-04 2.187139e-07 ; 3.090731e-02 6.502937e-02 native_MD - 33 51 1 0.000000e+00 2.767150e-06 ; 3.962775e-02 4.845925e-02 native_MD + 33 51 1 0.000000e+00 2.767124e-06 ; 3.962775e-02 4.845925e-02 native_MD 33 53 1 3.240046e-03 2.398362e-05 ; 6.279420e-02 8.846564e-02 native_MD 33 54 1 1.529728e-03 5.068386e-06 ; 6.341570e-02 9.063143e-02 native_MD 33 55 1 1.726866e-03 6.590673e-06 ; 8.723522e-02 1.019266e-01 native_MD 33 56 1 1.397261e-03 3.339995e-06 ; 6.508697e-02 7.193808e-02 native_MD 33 57 1 1.398848e-03 3.603970e-06 ; 3.841531e-02 3.597578e-02 native_MD - 33 58 1 0.000000e+00 4.800774e-06 ; 3.641952e-03 1.943901e-02 native_MD + 33 58 1 0.000000e+00 4.800712e-06 ; 3.641952e-03 1.943901e-02 native_MD 33 59 1 0.000000e+00 1.527687e-06 ; 3.085307e-03 1.884013e-02 native_MD - 33 60 1 0.000000e+00 2.757040e-06 ; 1.920445e-03 7.065864e-03 native_MD + 33 60 1 0.000000e+00 2.757014e-06 ; 1.920445e-03 7.065864e-03 native_MD 33 62 1 1.867140e-03 8.573307e-06 ; 1.158671e-02 2.420695e-02 native_MD - 33 64 1 0.000000e+00 2.083090e-06 ; 9.643500e-03 1.261131e-02 native_MD - 33 65 1 0.000000e+00 4.734272e-06 ; 3.265760e-03 4.991530e-03 native_MD + 33 64 1 0.000000e+00 2.083067e-06 ; 9.643500e-03 1.261131e-02 native_MD + 33 65 1 0.000000e+00 4.734210e-06 ; 3.265760e-03 4.991530e-03 native_MD 33 66 1 3.383554e-04 3.165470e-07 ; 3.856842e-03 5.566362e-03 native_MD - 33 67 1 0.000000e+00 2.748915e-06 ; 1.436140e-03 3.619367e-03 native_MD + 33 67 1 0.000000e+00 2.748889e-06 ; 1.436140e-03 3.619367e-03 native_MD 33 68 1 1.063268e-03 3.126975e-06 ; 4.216233e-03 1.560313e-02 native_MD 33 69 1 5.874957e-04 1.196080e-06 ; 1.526532e-03 1.014699e-02 native_MD 33 70 1 7.300267e-04 1.827861e-06 ; 1.585630e-03 1.364808e-02 native_MD 33 71 1 6.421836e-04 1.283961e-06 ; 2.308663e-03 1.312004e-02 native_MD - 33 72 1 0.000000e+00 4.723520e-06 ; 3.184632e-03 2.635451e-03 native_MD + 33 72 1 0.000000e+00 4.723458e-06 ; 3.184632e-03 2.635451e-03 native_MD 33 73 1 6.314574e-04 1.235643e-06 ; 2.353102e-03 1.018255e-03 native_MD - 33 74 1 0.000000e+00 2.741737e-06 ; 2.993182e-03 2.559633e-03 native_MD - 33 84 1 0.000000e+00 2.101154e-06 ; 2.094635e-03 1.376003e-02 native_MD + 33 74 1 0.000000e+00 2.741711e-06 ; 2.993182e-03 2.559633e-03 native_MD + 33 84 1 0.000000e+00 2.101131e-06 ; 2.094635e-03 1.376003e-02 native_MD 33 85 1 0.000000e+00 3.137637e-06 ; 1.049407e-03 1.368794e-03 native_MD 33 86 1 4.427933e-04 4.901648e-07 ; 3.205350e-04 1.654223e-03 native_MD 33 87 1 0.000000e+00 1.416111e-06 ; 6.152625e-04 7.026250e-04 native_MD - 33 91 1 0.000000e+00 2.054248e-06 ; 1.289837e-02 1.979427e-03 native_MD - 33 92 1 0.000000e+00 4.713419e-06 ; 4.114420e-03 1.427889e-03 native_MD + 33 91 1 0.000000e+00 2.054225e-06 ; 1.289837e-02 1.979427e-03 native_MD + 33 92 1 0.000000e+00 4.713357e-06 ; 4.114420e-03 1.427889e-03 native_MD 33 93 1 0.000000e+00 1.215913e-06 ; 2.252450e-03 9.776906e-04 native_MD 33 94 1 0.000000e+00 1.215913e-06 ; 2.252450e-03 9.776906e-04 native_MD - 34 39 1 0.000000e+00 1.299682e-06 ; 9.999998e-01 9.999978e-01 native_MD - 34 40 1 0.000000e+00 1.299285e-06 ; 1.000000e+00 9.999993e-01 native_MD - 34 41 1 0.000000e+00 6.865231e-07 ; 9.999050e-01 8.300991e-01 fibril - 34 42 1 0.000000e+00 1.452185e-06 ; 9.997021e-01 9.625944e-01 fibril - 34 44 1 0.000000e+00 1.296367e-05 ; 8.687514e-01 8.619940e-01 native_MD - 34 45 1 0.000000e+00 6.899326e-06 ; 2.009074e-01 2.901667e-01 native_MD - 34 46 1 0.000000e+00 1.286736e-05 ; 2.530424e-01 2.389060e-01 native_MD - 34 47 1 0.000000e+00 4.588262e-06 ; 6.823293e-02 3.906453e-02 native_MD - 34 48 1 0.000000e+00 4.442893e-06 ; 1.141345e-01 5.420739e-02 native_MD - 34 49 1 0.000000e+00 2.975541e-06 ; 1.080613e-01 2.531301e-01 native_MD - 34 54 1 0.000000e+00 6.620094e-06 ; 7.731044e-02 1.224849e-01 native_MD - 34 55 1 0.000000e+00 1.345051e-05 ; 7.638918e-02 1.069325e-01 native_MD - 34 56 1 0.000000e+00 4.755918e-06 ; 3.486160e-02 4.116754e-02 native_MD - 34 57 1 0.000000e+00 4.760923e-06 ; 1.820130e-02 2.556619e-02 native_MD - 34 63 1 0.000000e+00 6.248224e-06 ; 5.022375e-02 3.668770e-02 native_MD + 34 39 1 0.000000e+00 1.299665e-06 ; 9.999998e-01 9.999978e-01 native_MD + 34 40 1 0.000000e+00 1.299262e-06 ; 1.000000e+00 9.999993e-01 native_MD + 34 41 1 0.000000e+00 6.865199e-07 ; 9.999050e-01 8.300991e-01 fibril + 34 42 1 0.000000e+00 1.452164e-06 ; 9.997021e-01 9.625944e-01 fibril + 34 44 1 0.000000e+00 1.296360e-05 ; 8.687514e-01 8.619940e-01 native_MD + 34 45 1 0.000000e+00 6.899210e-06 ; 2.009074e-01 2.901667e-01 native_MD + 34 46 1 0.000000e+00 1.286729e-05 ; 2.530424e-01 2.389060e-01 native_MD + 34 47 1 0.000000e+00 4.588202e-06 ; 6.823293e-02 3.906453e-02 native_MD + 34 48 1 0.000000e+00 4.442835e-06 ; 1.141345e-01 5.420739e-02 native_MD + 34 49 1 0.000000e+00 2.975489e-06 ; 1.080613e-01 2.531301e-01 native_MD + 34 54 1 0.000000e+00 6.619983e-06 ; 7.731044e-02 1.224849e-01 native_MD + 34 55 1 0.000000e+00 1.345044e-05 ; 7.638918e-02 1.069325e-01 native_MD + 34 56 1 0.000000e+00 4.755856e-06 ; 3.486160e-02 4.116754e-02 native_MD + 34 57 1 0.000000e+00 4.760861e-06 ; 1.820130e-02 2.556619e-02 native_MD + 34 63 1 0.000000e+00 6.248119e-06 ; 5.022375e-02 3.668770e-02 native_MD 34 69 1 0.000000e+00 3.536268e-06 ; 2.828325e-04 1.754267e-03 native_MD 34 70 1 0.000000e+00 3.536268e-06 ; 2.625050e-04 5.313676e-03 native_MD 34 71 1 0.000000e+00 3.536268e-06 ; 4.253050e-04 7.198462e-03 native_MD 34 77 1 0.000000e+00 4.203747e-06 ; 8.305825e-04 1.602073e-03 native_MD - 34 90 1 0.000000e+00 6.282430e-06 ; 9.571987e-03 1.436379e-03 native_MD + 34 90 1 0.000000e+00 6.282325e-06 ; 9.571987e-03 1.436379e-03 native_MD 35 39 1 0.000000e+00 1.503490e-06 ; 9.999987e-01 9.996649e-01 native_MD - 35 40 1 0.000000e+00 8.193663e-07 ; 1.000000e+00 9.908379e-01 fibril + 35 40 1 0.000000e+00 8.193625e-07 ; 1.000000e+00 9.908379e-01 fibril 35 41 1 0.000000e+00 1.283925e-06 ; 9.306575e-01 7.866073e-01 native_MD 35 42 1 0.000000e+00 1.399006e-06 ; 9.261352e-01 8.588061e-01 native_MD - 35 43 1 0.000000e+00 1.644560e-08 ; 1.649605e-01 2.248589e-01 native_MD - 35 44 1 0.000000e+00 3.801317e-06 ; 7.112878e-01 6.264972e-01 native_MD + 35 43 1 0.000000e+00 1.644586e-08 ; 1.649605e-01 2.248589e-01 native_MD + 35 44 1 0.000000e+00 3.801347e-06 ; 7.112878e-01 6.264972e-01 native_MD 35 45 1 8.971682e-04 1.847234e-06 ; 1.630621e-01 1.036460e-01 native_MD 35 46 1 7.534970e-04 1.235260e-06 ; 3.270146e-01 1.535417e-01 native_MD 35 47 1 5.058727e-04 5.482058e-07 ; 1.003210e-01 4.300288e-02 native_MD @@ -1312,21 +1312,21 @@ TTR 3 35 71 1 5.202448e-04 6.766365e-07 ; 3.390325e-04 1.023436e-02 native_MD 35 77 1 5.672109e-04 8.043206e-07 ; 7.349025e-04 1.016354e-03 native_MD 35 90 1 3.127280e-04 2.377702e-07 ; 7.238372e-03 1.217754e-03 native_MD - 36 42 1 0.000000e+00 3.002258e-07 ; 1.000000e+00 9.999987e-01 native_MD - 36 44 1 0.000000e+00 7.574821e-06 ; 1.000000e+00 9.999771e-01 native_MD - 36 45 1 0.000000e+00 4.609185e-06 ; 1.873373e-01 4.411682e-01 native_MD - 36 46 1 0.000000e+00 8.787589e-06 ; 1.936318e-01 3.537103e-01 native_MD - 36 47 1 0.000000e+00 2.787003e-06 ; 1.903063e-02 3.509977e-02 native_MD - 36 48 1 0.000000e+00 2.743434e-06 ; 3.058024e-02 3.076532e-02 native_MD - 36 49 1 0.000000e+00 1.635747e-06 ; 3.264796e-02 1.172537e-01 native_MD + 36 42 1 0.000000e+00 3.002227e-07 ; 1.000000e+00 9.999987e-01 native_MD + 36 44 1 0.000000e+00 7.574809e-06 ; 1.000000e+00 9.999771e-01 native_MD + 36 45 1 0.000000e+00 4.609124e-06 ; 1.873373e-01 4.411682e-01 native_MD + 36 46 1 0.000000e+00 8.787575e-06 ; 1.936318e-01 3.537103e-01 native_MD + 36 47 1 0.000000e+00 2.786976e-06 ; 1.903063e-02 3.509977e-02 native_MD + 36 48 1 0.000000e+00 2.743408e-06 ; 3.058024e-02 3.076532e-02 native_MD + 36 49 1 0.000000e+00 1.635724e-06 ; 3.264796e-02 1.172537e-01 native_MD 36 50 1 0.000000e+00 1.717930e-06 ; 4.709036e-02 1.923770e-01 native_MD - 36 51 1 0.000000e+00 9.041155e-07 ; 4.953949e-02 8.246733e-02 native_MD - 36 54 1 0.000000e+00 3.699883e-06 ; 2.096370e-03 8.570910e-03 native_MD - 36 55 1 0.000000e+00 7.472732e-06 ; 2.791111e-02 1.441102e-02 native_MD - 36 56 1 0.000000e+00 2.734738e-06 ; 6.477202e-03 3.492039e-03 native_MD - 36 57 1 0.000000e+00 2.728757e-06 ; 7.197207e-03 2.031594e-03 native_MD - 36 60 1 0.000000e+00 8.730300e-07 ; 3.421607e-03 8.350663e-04 native_MD - 36 63 1 0.000000e+00 3.537931e-06 ; 5.041077e-02 1.282971e-02 native_MD + 36 51 1 0.000000e+00 9.041061e-07 ; 4.953949e-02 8.246733e-02 native_MD + 36 54 1 0.000000e+00 3.699834e-06 ; 2.096370e-03 8.570910e-03 native_MD + 36 55 1 0.000000e+00 7.472720e-06 ; 2.791111e-02 1.441102e-02 native_MD + 36 56 1 0.000000e+00 2.734712e-06 ; 6.477202e-03 3.492039e-03 native_MD + 36 57 1 0.000000e+00 2.728731e-06 ; 7.197207e-03 2.031594e-03 native_MD + 36 60 1 0.000000e+00 8.730209e-07 ; 3.421607e-03 8.350663e-04 native_MD + 36 63 1 0.000000e+00 3.537884e-06 ; 5.041077e-02 1.282971e-02 native_MD 36 67 1 0.000000e+00 2.500000e-05 ; 4.607500e-06 1.568052e-05 native_MD 36 69 1 0.000000e+00 1.596026e-06 ; 1.483500e-04 6.305533e-04 native_MD 36 70 1 0.000000e+00 1.596026e-06 ; 2.538475e-04 1.057610e-03 native_MD @@ -1334,77 +1334,77 @@ TTR 3 36 74 1 0.000000e+00 2.500000e-05 ; 0.000000e+00 7.769836e-07 native_MD 36 77 1 0.000000e+00 1.897280e-06 ; 8.734000e-05 9.228914e-04 native_MD 36 87 1 0.000000e+00 2.500000e-05 ; 0.000000e+00 0.000000e+00 native_MD - 36 90 1 0.000000e+00 3.656639e-06 ; 6.347780e-03 1.058692e-03 native_MD - 37 41 1 0.000000e+00 3.504567e-09 ; 9.997412e-01 2.256062e-01 fibril + 36 90 1 0.000000e+00 3.656590e-06 ; 6.347780e-03 1.058692e-03 native_MD + 37 41 1 0.000000e+00 3.504622e-09 ; 9.997412e-01 2.256062e-01 fibril 37 43 1 0.000000e+00 1.712303e-08 ; 1.840271e-01 6.109460e-01 native_MD - 38 45 1 0.000000e+00 3.181365e-05 ; 1.000000e+00 1.000000e+00 native_MD - 38 46 1 0.000000e+00 6.513512e-05 ; 1.000000e+00 9.935838e-01 fibril - 38 47 1 0.000000e+00 2.427330e-05 ; 1.928938e-01 2.154478e-01 native_MD - 38 48 1 0.000000e+00 2.312979e-05 ; 5.527495e-01 5.271315e-01 native_MD - 38 49 1 0.000000e+00 1.305179e-05 ; 9.999999e-01 9.999938e-01 native_MD - 38 50 1 0.000000e+00 2.110166e-06 ; 9.999718e-01 5.080177e-01 fibril - 38 51 1 0.000000e+00 8.786002e-06 ; 4.483278e-01 6.081968e-01 native_MD - 38 53 1 0.000000e+00 7.417736e-05 ; 4.714167e-01 6.029325e-01 native_MD + 38 45 1 0.000000e+00 3.181352e-05 ; 1.000000e+00 1.000000e+00 native_MD + 38 46 1 0.000000e+00 6.513560e-05 ; 1.000000e+00 9.935838e-01 fibril + 38 47 1 0.000000e+00 2.427328e-05 ; 1.928938e-01 2.154478e-01 native_MD + 38 48 1 0.000000e+00 2.312978e-05 ; 5.527495e-01 5.271315e-01 native_MD + 38 49 1 0.000000e+00 1.305172e-05 ; 9.999999e-01 9.999938e-01 native_MD + 38 50 1 0.000000e+00 2.110183e-06 ; 9.999718e-01 5.080177e-01 fibril + 38 51 1 0.000000e+00 8.785988e-06 ; 4.483278e-01 6.081968e-01 native_MD + 38 53 1 0.000000e+00 7.417790e-05 ; 4.714167e-01 6.029325e-01 native_MD 38 54 1 5.627964e-03 8.850722e-05 ; 1.625522e-01 2.137265e-01 native_MD 38 55 1 3.584753e-03 3.572768e-05 ; 2.226550e-01 2.235588e-01 native_MD 38 56 1 3.060882e-03 1.903630e-05 ; 7.663371e-02 5.412720e-02 native_MD 38 57 1 2.864125e-03 1.586083e-05 ; 1.122982e-01 5.774480e-02 native_MD 39 41 1 0.000000e+00 1.500000e-06 ; 1.000000e+00 1.000000e+00 native_MD 39 42 1 0.000000e+00 2.700000e-06 ; 1.000000e+00 9.999924e-01 native_MD - 39 44 1 0.000000e+00 2.373792e-05 ; 9.999989e-01 9.999993e-01 native_MD - 39 45 1 0.000000e+00 1.097284e-05 ; 5.347820e-01 4.873008e-01 native_MD - 39 46 1 0.000000e+00 2.764273e-05 ; 2.976532e-01 4.621503e-01 native_MD + 39 44 1 0.000000e+00 2.373791e-05 ; 9.999989e-01 9.999993e-01 native_MD + 39 45 1 0.000000e+00 1.097270e-05 ; 5.347820e-01 4.873008e-01 native_MD + 39 46 1 0.000000e+00 2.764271e-05 ; 2.976532e-01 4.621503e-01 native_MD 39 47 1 1.726928e-03 5.789741e-06 ; 2.698539e-02 6.431889e-02 native_MD 39 48 1 2.113958e-03 8.634061e-06 ; 5.081758e-02 1.444393e-01 native_MD - 39 49 1 0.000000e+00 2.899213e-06 ; 6.457644e-01 2.592095e-01 native_MD + 39 49 1 0.000000e+00 2.899175e-06 ; 6.457644e-01 2.592095e-01 native_MD 39 50 1 0.000000e+00 1.030702e-06 ; 4.035148e-01 8.882575e-02 native_MD - 39 51 1 0.000000e+00 2.726493e-06 ; 1.453084e-01 1.393173e-01 native_MD - 39 58 1 0.000000e+00 4.661663e-06 ; 6.245843e-02 4.882087e-02 native_MD + 39 51 1 0.000000e+00 2.726467e-06 ; 1.453084e-01 1.393173e-01 native_MD + 39 58 1 0.000000e+00 4.661602e-06 ; 6.245843e-02 4.882087e-02 native_MD 39 59 1 3.415142e-04 2.792277e-07 ; 6.766390e-02 5.406520e-02 native_MD - 39 60 1 0.000000e+00 2.763179e-06 ; 2.561758e-02 3.300133e-02 native_MD - 39 64 1 0.000000e+00 2.065965e-06 ; 3.224638e-02 2.696855e-02 native_MD - 39 65 1 0.000000e+00 4.809143e-06 ; 5.516932e-03 2.308480e-02 native_MD + 39 60 1 0.000000e+00 2.763153e-06 ; 2.561758e-02 3.300133e-02 native_MD + 39 64 1 0.000000e+00 2.065941e-06 ; 3.224638e-02 2.696855e-02 native_MD + 39 65 1 0.000000e+00 4.809081e-06 ; 5.516932e-03 2.308480e-02 native_MD 39 66 1 0.000000e+00 1.536646e-06 ; 5.940367e-03 2.765190e-02 native_MD - 39 67 1 0.000000e+00 2.766034e-06 ; 1.664425e-03 1.008892e-02 native_MD + 39 67 1 0.000000e+00 2.766008e-06 ; 1.664425e-03 1.008892e-02 native_MD 39 72 1 0.000000e+00 3.137637e-06 ; 7.049950e-04 6.521227e-03 native_MD 39 73 1 4.427933e-04 4.901648e-07 ; 3.678325e-04 1.810731e-03 native_MD 39 74 1 0.000000e+00 1.416111e-06 ; 4.650550e-04 4.615264e-03 native_MD - 39 84 1 0.000000e+00 2.100370e-06 ; 1.032955e-02 2.161722e-02 native_MD - 39 85 1 0.000000e+00 4.726214e-06 ; 1.666960e-03 1.687795e-03 native_MD + 39 84 1 0.000000e+00 2.100346e-06 ; 1.032955e-02 2.161722e-02 native_MD + 39 85 1 0.000000e+00 4.726152e-06 ; 1.666960e-03 1.687795e-03 native_MD 39 86 1 2.880090e-04 2.762587e-07 ; 1.770440e-03 1.981594e-03 native_MD 39 87 1 0.000000e+00 1.416111e-06 ; 1.326365e-03 8.460286e-04 native_MD - 39 91 1 0.000000e+00 2.063947e-06 ; 1.009279e-02 3.843358e-03 native_MD - 39 92 1 0.000000e+00 4.689867e-06 ; 1.001189e-02 2.342076e-03 native_MD - 39 93 1 0.000000e+00 1.211167e-06 ; 6.875570e-03 1.702686e-03 native_MD - 39 94 1 0.000000e+00 1.211167e-06 ; 6.875570e-03 1.702686e-03 native_MD + 39 91 1 0.000000e+00 2.063923e-06 ; 1.009279e-02 3.843358e-03 native_MD + 39 92 1 0.000000e+00 4.689806e-06 ; 1.001189e-02 2.342076e-03 native_MD + 39 93 1 0.000000e+00 1.211168e-06 ; 6.875570e-03 1.702686e-03 native_MD + 39 94 1 0.000000e+00 1.211168e-06 ; 6.875570e-03 1.702686e-03 native_MD 40 45 1 0.000000e+00 1.299682e-06 ; 1.000000e+00 1.000000e+00 native_MD - 40 46 1 0.000000e+00 1.305189e-05 ; 9.999980e-01 1.000000e+00 native_MD - 40 47 1 0.000000e+00 5.203467e-06 ; 2.680310e-01 3.690339e-01 native_MD - 40 48 1 0.000000e+00 4.718812e-06 ; 6.760564e-01 6.745111e-01 native_MD - 40 49 1 0.000000e+00 1.299285e-06 ; 1.000000e+00 1.000000e+00 native_MD - 40 50 1 0.000000e+00 7.599892e-07 ; 1.000000e+00 9.190347e-01 fibril - 40 51 1 0.000000e+00 1.487584e-06 ; 9.999679e-01 9.863323e-01 fibril - 40 53 1 0.000000e+00 1.335805e-05 ; 8.687851e-01 8.922439e-01 native_MD - 40 54 1 0.000000e+00 6.492409e-06 ; 1.704597e-01 1.954753e-01 native_MD - 40 55 1 0.000000e+00 3.126153e-06 ; 1.000000e+00 2.395177e-01 fibril - 40 56 1 0.000000e+00 4.563433e-06 ; 7.197507e-02 3.755303e-02 native_MD + 40 46 1 0.000000e+00 1.305182e-05 ; 9.999980e-01 1.000000e+00 native_MD + 40 47 1 0.000000e+00 5.203399e-06 ; 2.680310e-01 3.690339e-01 native_MD + 40 48 1 0.000000e+00 4.718751e-06 ; 6.760564e-01 6.745111e-01 native_MD + 40 49 1 0.000000e+00 1.299262e-06 ; 1.000000e+00 1.000000e+00 native_MD + 40 50 1 0.000000e+00 7.599857e-07 ; 1.000000e+00 9.190347e-01 fibril + 40 51 1 0.000000e+00 1.487563e-06 ; 9.999679e-01 9.863323e-01 fibril + 40 53 1 0.000000e+00 1.335798e-05 ; 8.687851e-01 8.922439e-01 native_MD + 40 54 1 0.000000e+00 6.492300e-06 ; 1.704597e-01 1.954753e-01 native_MD + 40 55 1 0.000000e+00 3.126136e-06 ; 1.000000e+00 2.395177e-01 fibril + 40 56 1 0.000000e+00 4.563373e-06 ; 7.197507e-02 3.755303e-02 native_MD 40 57 1 2.036102e-03 8.255991e-06 ; 1.000000e+00 6.668800e-02 fibril - 40 58 1 0.000000e+00 2.666225e-06 ; 1.472453e-01 1.732806e-01 native_MD - 40 63 1 0.000000e+00 6.274082e-06 ; 9.115890e-02 8.170524e-02 native_MD + 40 58 1 0.000000e+00 2.666177e-06 ; 1.472453e-01 1.732806e-01 native_MD + 40 63 1 0.000000e+00 6.273977e-06 ; 9.115890e-02 8.170524e-02 native_MD 40 69 1 0.000000e+00 3.536268e-06 ; 4.452750e-04 5.162308e-03 native_MD 40 70 1 0.000000e+00 3.536268e-06 ; 4.482400e-04 8.290343e-03 native_MD 40 71 1 0.000000e+00 3.536268e-06 ; 9.666550e-04 1.362750e-02 native_MD 40 77 1 0.000000e+00 4.203747e-06 ; 2.674800e-04 1.281045e-03 native_MD - 40 90 1 0.000000e+00 6.163672e-06 ; 2.981460e-02 2.929573e-03 native_MD - 41 45 1 0.000000e+00 2.015577e-06 ; 1.000000e+00 9.999609e-01 fibril - 41 46 1 0.000000e+00 3.839468e-06 ; 9.437487e-01 8.681433e-01 fibril - 41 47 1 0.000000e+00 1.608345e-06 ; 7.281503e-02 1.421996e-01 native_MD + 40 90 1 0.000000e+00 6.163569e-06 ; 2.981460e-02 2.929573e-03 native_MD + 41 45 1 0.000000e+00 2.015570e-06 ; 1.000000e+00 9.999609e-01 fibril + 41 46 1 0.000000e+00 3.839498e-06 ; 9.437487e-01 8.681433e-01 fibril + 41 47 1 0.000000e+00 1.608346e-06 ; 7.281503e-02 1.421996e-01 native_MD 41 48 1 0.000000e+00 1.595192e-06 ; 2.891884e-01 3.498275e-01 native_MD - 41 49 1 0.000000e+00 8.252570e-07 ; 1.000000e+00 9.979614e-01 fibril + 41 49 1 0.000000e+00 8.252532e-07 ; 1.000000e+00 9.979614e-01 fibril 41 50 1 0.000000e+00 1.450523e-06 ; 9.304906e-01 8.975062e-01 native_MD 41 51 1 0.000000e+00 1.405004e-06 ; 9.985796e-01 9.352486e-01 fibril - 41 52 1 0.000000e+00 1.533432e-08 ; 1.658964e-01 1.541744e-01 native_MD - 41 53 1 0.000000e+00 3.799897e-06 ; 6.837654e-01 5.986328e-01 native_MD + 41 52 1 0.000000e+00 1.533456e-08 ; 1.658964e-01 1.541744e-01 native_MD + 41 53 1 0.000000e+00 3.799927e-06 ; 6.837654e-01 5.986328e-01 native_MD 41 54 1 9.779102e-04 2.227387e-06 ; 1.427116e-01 9.837558e-02 native_MD 41 55 1 7.068810e-04 1.147467e-06 ; 3.431375e-01 2.188667e-01 native_MD 41 56 1 4.582267e-04 4.589114e-07 ; 1.054603e-01 5.084130e-02 native_MD @@ -1412,22 +1412,22 @@ TTR 3 41 63 1 2.560454e-04 1.616533e-07 ; 8.974526e-02 8.364186e-02 native_MD 41 69 1 5.202448e-04 6.766365e-07 ; 6.664500e-04 1.153667e-02 native_MD 41 70 1 5.202448e-04 6.766365e-07 ; 6.015050e-04 1.424684e-02 native_MD - 41 71 1 0.000000e+00 1.807566e-06 ; 1.450842e-03 2.119165e-02 native_MD + 41 71 1 0.000000e+00 1.807560e-06 ; 1.450842e-03 2.119165e-02 native_MD 41 77 1 5.672109e-04 8.043206e-07 ; 4.270150e-04 2.004164e-03 native_MD 41 90 1 2.806206e-04 1.507079e-07 ; 2.964861e-02 4.085316e-03 native_MD 42 46 1 0.000000e+00 5.500000e-07 ; 1.000000e+00 1.000000e+00 native_MD - 42 47 1 0.000000e+00 2.734664e-06 ; 9.999988e-01 9.969867e-01 fibril - 42 48 1 0.000000e+00 2.499943e-06 ; 9.999408e-01 9.113556e-01 fibril - 42 51 1 0.000000e+00 3.002258e-07 ; 1.000000e+00 9.999997e-01 native_MD - 42 53 1 0.000000e+00 7.574590e-06 ; 1.000000e+00 9.999466e-01 native_MD - 42 54 1 0.000000e+00 4.055135e-06 ; 1.949028e-01 2.980163e-01 native_MD - 42 55 1 0.000000e+00 1.952662e-06 ; 9.999942e-01 2.577715e-01 fibril - 42 56 1 0.000000e+00 2.741915e-06 ; 2.527550e-02 2.490697e-02 native_MD + 42 47 1 0.000000e+00 2.734638e-06 ; 9.999988e-01 9.969867e-01 fibril + 42 48 1 0.000000e+00 2.499920e-06 ; 9.999408e-01 9.113556e-01 fibril + 42 51 1 0.000000e+00 3.002227e-07 ; 1.000000e+00 9.999997e-01 native_MD + 42 53 1 0.000000e+00 7.574578e-06 ; 1.000000e+00 9.999466e-01 native_MD + 42 54 1 0.000000e+00 4.055082e-06 ; 1.949028e-01 2.980163e-01 native_MD + 42 55 1 0.000000e+00 1.952659e-06 ; 9.999942e-01 2.577715e-01 fibril + 42 56 1 0.000000e+00 2.741889e-06 ; 2.527550e-02 2.490697e-02 native_MD 42 57 1 1.706203e-03 4.384360e-06 ; 1.000000e+00 2.786476e-02 fibril - 42 58 1 0.000000e+00 1.560482e-06 ; 6.426019e-02 9.896062e-02 native_MD + 42 58 1 0.000000e+00 1.560460e-06 ; 6.426019e-02 9.896062e-02 native_MD 42 59 1 0.000000e+00 1.574047e-06 ; 9.171094e-02 1.410754e-01 native_MD - 42 60 1 0.000000e+00 8.894907e-07 ; 5.132470e-02 6.754410e-02 native_MD - 42 63 1 0.000000e+00 3.670413e-06 ; 1.221516e-02 1.067301e-02 native_MD + 42 60 1 0.000000e+00 8.894814e-07 ; 5.132470e-02 6.754410e-02 native_MD + 42 63 1 0.000000e+00 3.670364e-06 ; 1.221516e-02 1.067301e-02 native_MD 42 67 1 0.000000e+00 2.500000e-05 ; 1.355000e-06 0.000000e+00 native_MD 42 69 1 0.000000e+00 1.596026e-06 ; 2.155400e-04 2.687558e-04 native_MD 42 70 1 0.000000e+00 1.596026e-06 ; 3.286375e-04 1.274729e-03 native_MD @@ -1435,71 +1435,71 @@ TTR 3 42 74 1 0.000000e+00 2.500000e-05 ; 0.000000e+00 0.000000e+00 native_MD 42 77 1 0.000000e+00 1.897280e-06 ; 8.989750e-05 1.269539e-04 native_MD 42 87 1 0.000000e+00 2.500000e-05 ; 1.317500e-06 0.000000e+00 native_MD - 42 90 1 0.000000e+00 3.596954e-06 ; 2.245487e-02 9.299965e-04 native_MD - 43 50 1 0.000000e+00 5.437565e-09 ; 9.998782e-01 3.503226e-01 fibril + 42 90 1 0.000000e+00 3.596907e-06 ; 2.245487e-02 9.299965e-04 native_MD + 43 50 1 0.000000e+00 5.437651e-09 ; 9.998782e-01 3.503226e-01 fibril 43 52 1 0.000000e+00 1.437450e-08 ; 2.248134e-01 4.226888e-01 native_MD 44 47 1 0.000000e+00 5.000000e-07 ; 9.999978e-01 9.998693e-01 native_MD 44 48 1 0.000000e+00 5.000000e-07 ; 1.000000e+00 9.999205e-01 native_MD - 44 54 1 0.000000e+00 3.181357e-05 ; 1.000000e+00 9.999975e-01 native_MD - 44 55 1 0.000000e+00 6.510475e-05 ; 1.000000e+00 9.931205e-01 fibril + 44 54 1 0.000000e+00 3.181344e-05 ; 1.000000e+00 9.999975e-01 native_MD + 44 55 1 0.000000e+00 6.510523e-05 ; 1.000000e+00 9.931205e-01 fibril 44 56 1 5.066322e-03 8.841873e-05 ; 1.000000e+00 2.090108e-01 fibril - 44 57 1 0.000000e+00 1.262239e-05 ; 1.000000e+00 5.317395e-01 fibril - 44 58 1 0.000000e+00 1.305186e-05 ; 1.000000e+00 1.000000e+00 native_MD - 44 59 1 0.000000e+00 3.252549e-06 ; 7.123918e-01 4.954791e-01 native_MD - 44 60 1 0.000000e+00 8.957277e-06 ; 4.373707e-01 6.198503e-01 native_MD - 44 62 1 0.000000e+00 7.651640e-05 ; 4.506993e-01 6.178953e-01 native_MD + 44 57 1 0.000000e+00 1.262238e-05 ; 1.000000e+00 5.317395e-01 fibril + 44 58 1 0.000000e+00 1.305180e-05 ; 1.000000e+00 1.000000e+00 native_MD + 44 59 1 0.000000e+00 3.252575e-06 ; 7.123918e-01 4.954791e-01 native_MD + 44 60 1 0.000000e+00 8.957263e-06 ; 4.373707e-01 6.198503e-01 native_MD + 44 62 1 0.000000e+00 7.651696e-05 ; 4.506993e-01 6.178953e-01 native_MD 45 50 1 0.000000e+00 1.500000e-06 ; 1.000000e+00 9.999917e-01 native_MD 45 51 1 0.000000e+00 2.700000e-06 ; 9.999994e-01 9.999987e-01 native_MD - 45 53 1 0.000000e+00 3.181351e-05 ; 1.000000e+00 9.999954e-01 fibril - 45 54 1 0.000000e+00 1.456116e-05 ; 6.742174e-01 6.173651e-01 native_MD - 45 55 1 0.000000e+00 1.459159e-05 ; 9.997012e-01 4.583594e-01 fibril + 45 53 1 0.000000e+00 3.181337e-05 ; 1.000000e+00 9.999954e-01 fibril + 45 54 1 0.000000e+00 1.456093e-05 ; 6.742174e-01 6.173651e-01 native_MD + 45 55 1 0.000000e+00 1.459153e-05 ; 9.997012e-01 4.583594e-01 fibril 45 56 1 1.729058e-03 6.172941e-06 ; 5.917932e-02 6.349190e-02 native_MD 45 57 1 2.053088e-03 9.122060e-06 ; 1.051865e-01 1.495945e-01 native_MD - 45 58 1 0.000000e+00 5.035149e-06 ; 6.753484e-01 4.702932e-01 fibril - 45 59 1 0.000000e+00 1.554302e-06 ; 3.847047e-01 1.558193e-01 native_MD - 45 60 1 0.000000e+00 3.944650e-06 ; 1.510308e-01 2.240891e-01 native_MD - 45 64 1 0.000000e+00 2.659640e-06 ; 8.237844e-02 3.787873e-02 native_MD - 45 65 1 0.000000e+00 6.785204e-06 ; 5.518192e-02 1.264238e-01 native_MD + 45 58 1 0.000000e+00 5.035065e-06 ; 6.753484e-01 4.702932e-01 fibril + 45 59 1 0.000000e+00 1.554296e-06 ; 3.847047e-01 1.558193e-01 native_MD + 45 60 1 0.000000e+00 3.944598e-06 ; 1.510308e-01 2.240891e-01 native_MD + 45 64 1 0.000000e+00 2.659601e-06 ; 8.237844e-02 3.787873e-02 native_MD + 45 65 1 0.000000e+00 6.785090e-06 ; 5.518192e-02 1.264238e-01 native_MD 45 66 1 2.970614e-04 2.576577e-07 ; 6.527152e-02 1.353342e-01 native_MD - 45 67 1 0.000000e+00 3.760192e-06 ; 7.666323e-03 3.054672e-02 native_MD - 45 72 1 0.000000e+00 6.319513e-06 ; 3.303265e-03 1.022195e-03 native_MD + 45 67 1 0.000000e+00 3.760142e-06 ; 7.666323e-03 3.054672e-02 native_MD + 45 72 1 0.000000e+00 6.319407e-06 ; 3.303265e-03 1.022195e-03 native_MD 45 73 1 5.672109e-04 8.043206e-07 ; 1.190775e-04 3.981388e-04 native_MD - 45 74 1 0.000000e+00 3.672000e-06 ; 1.428675e-03 3.182753e-04 native_MD - 45 84 1 0.000000e+00 2.825934e-06 ; 5.335452e-03 2.057808e-02 native_MD + 45 74 1 0.000000e+00 3.671951e-06 ; 1.428675e-03 3.182753e-04 native_MD + 45 84 1 0.000000e+00 2.825891e-06 ; 5.335452e-03 2.057808e-02 native_MD 45 85 1 0.000000e+00 4.203747e-06 ; 4.952425e-04 1.068200e-04 native_MD 45 86 1 5.672109e-04 8.043206e-07 ; 6.523275e-04 5.496961e-04 native_MD 45 87 1 0.000000e+00 1.897280e-06 ; 1.239432e-03 1.621041e-05 native_MD - 45 91 1 0.000000e+00 2.727002e-06 ; 2.444133e-02 4.142038e-03 native_MD - 45 92 1 0.000000e+00 6.278583e-06 ; 9.799022e-03 1.056058e-03 native_MD - 45 93 1 0.000000e+00 1.621925e-06 ; 6.503880e-03 5.421736e-04 native_MD - 45 94 1 0.000000e+00 1.621925e-06 ; 6.503880e-03 5.421736e-04 native_MD + 45 91 1 0.000000e+00 2.726962e-06 ; 2.444133e-02 4.142038e-03 native_MD + 45 92 1 0.000000e+00 6.278478e-06 ; 9.799022e-03 1.056058e-03 native_MD + 45 93 1 0.000000e+00 1.621919e-06 ; 6.503880e-03 5.421736e-04 native_MD + 45 94 1 0.000000e+00 1.621919e-06 ; 6.503880e-03 5.421736e-04 native_MD 46 49 1 0.000000e+00 1.200000e-06 ; 1.000000e+00 9.999984e-01 native_MD - 46 50 1 0.000000e+00 4.148971e-06 ; 1.000000e+00 9.989109e-01 fibril - 46 51 1 0.000000e+00 7.574253e-06 ; 9.999956e-01 9.998977e-01 native_MD - 46 53 1 0.000000e+00 6.455742e-05 ; 9.997920e-01 9.845634e-01 fibril + 46 50 1 0.000000e+00 4.149004e-06 ; 1.000000e+00 9.989109e-01 fibril + 46 51 1 0.000000e+00 7.574241e-06 ; 9.999956e-01 9.998977e-01 native_MD + 46 53 1 0.000000e+00 6.455789e-05 ; 9.997920e-01 9.845634e-01 fibril 46 54 1 7.821058e-03 1.732056e-04 ; 9.872769e-01 1.470261e-01 fibril 46 55 1 2.461480e-03 1.755230e-05 ; 1.703050e-01 2.054776e-01 native_MD 46 56 1 2.113843e-03 9.380865e-06 ; 4.022587e-02 3.473212e-02 native_MD 46 57 1 1.801868e-03 6.913826e-06 ; 6.271968e-02 5.897413e-02 native_MD 46 58 1 4.500127e-03 5.151946e-05 ; 9.998094e-01 1.200568e-01 fibril 46 59 1 6.623493e-04 9.598898e-07 ; 1.530523e-01 7.425881e-02 native_MD - 46 60 1 0.000000e+00 7.606708e-06 ; 8.433303e-02 8.851958e-02 native_MD - 46 64 1 0.000000e+00 5.483605e-06 ; 7.786406e-02 3.390582e-02 native_MD - 46 65 1 0.000000e+00 1.362981e-05 ; 2.718577e-02 7.146604e-02 native_MD + 46 60 1 0.000000e+00 7.606696e-06 ; 8.433303e-02 8.851958e-02 native_MD + 46 64 1 0.000000e+00 5.483587e-06 ; 7.786406e-02 3.390582e-02 native_MD + 46 65 1 0.000000e+00 1.362973e-05 ; 2.718577e-02 7.146604e-02 native_MD 46 66 1 4.644459e-04 6.669261e-07 ; 3.686631e-02 9.732573e-02 native_MD - 46 67 1 0.000000e+00 7.688891e-06 ; 6.714997e-03 2.175079e-02 native_MD - 46 72 1 0.000000e+00 1.302269e-05 ; 5.982927e-03 3.747418e-03 native_MD + 46 67 1 0.000000e+00 7.688879e-06 ; 6.714997e-03 2.175079e-02 native_MD + 46 72 1 0.000000e+00 1.302262e-05 ; 5.982927e-03 3.747418e-03 native_MD 46 73 1 1.063450e-03 2.827313e-06 ; 8.647250e-04 8.701596e-04 native_MD - 46 74 1 0.000000e+00 7.556792e-06 ; 5.109380e-03 2.706429e-03 native_MD - 46 84 1 0.000000e+00 5.886974e-06 ; 6.882705e-03 3.324996e-02 native_MD - 46 85 1 0.000000e+00 1.304045e-05 ; 2.087992e-03 1.213418e-03 native_MD + 46 74 1 0.000000e+00 7.556781e-06 ; 5.109380e-03 2.706429e-03 native_MD + 46 84 1 0.000000e+00 5.886954e-06 ; 6.882705e-03 3.324996e-02 native_MD + 46 85 1 0.000000e+00 1.304038e-05 ; 2.087992e-03 1.213418e-03 native_MD 46 86 1 1.063450e-03 2.827313e-06 ; 1.215325e-03 2.750718e-03 native_MD - 46 87 1 0.000000e+00 7.560098e-06 ; 2.584202e-03 6.175839e-04 native_MD - 46 91 1 0.000000e+00 5.652300e-06 ; 2.117401e-02 6.626908e-03 native_MD - 46 92 1 0.000000e+00 1.289930e-05 ; 1.422248e-02 2.533261e-03 native_MD - 46 93 1 0.000000e+00 3.333787e-06 ; 9.513207e-03 1.059848e-03 native_MD - 46 94 1 0.000000e+00 3.333787e-06 ; 9.513207e-03 1.059848e-03 native_MD - 47 49 1 0.000000e+00 4.385791e-06 ; 9.998924e-01 9.278830e-01 fibril + 46 87 1 0.000000e+00 7.560086e-06 ; 2.584202e-03 6.175839e-04 native_MD + 46 91 1 0.000000e+00 5.652281e-06 ; 2.117401e-02 6.626908e-03 native_MD + 46 92 1 0.000000e+00 1.289923e-05 ; 1.422248e-02 2.533261e-03 native_MD + 46 93 1 0.000000e+00 3.333814e-06 ; 9.513207e-03 1.059848e-03 native_MD + 46 94 1 0.000000e+00 3.333814e-06 ; 9.513207e-03 1.059848e-03 native_MD + 47 49 1 0.000000e+00 4.385734e-06 ; 9.998924e-01 9.278830e-01 fibril 47 50 1 2.498754e-04 1.808918e-07 ; 9.996558e-01 1.554253e-01 fibril 47 51 1 3.410287e-04 3.680964e-07 ; 9.999230e-01 1.819928e-01 fibril 47 53 1 1.064366e-03 3.105883e-06 ; 9.998559e-01 1.398760e-01 fibril @@ -1510,117 +1510,117 @@ TTR 3 47 62 1 2.864954e-03 1.678575e-05 ; 6.046688e-02 4.446631e-02 native_MD 47 63 1 1.831721e-03 6.262551e-06 ; 5.934797e-02 3.316484e-02 native_MD 47 64 1 1.548966e-03 3.098817e-06 ; 9.998629e-01 1.537207e-02 fibril - 47 65 1 0.000000e+00 4.781224e-06 ; 1.509801e-02 2.675838e-02 native_MD + 47 65 1 0.000000e+00 4.781161e-06 ; 1.509801e-02 2.675838e-02 native_MD 47 66 1 2.916796e-04 2.574895e-07 ; 2.120809e-02 5.125239e-02 native_MD - 47 67 1 0.000000e+00 2.754876e-06 ; 5.071960e-03 9.428662e-03 native_MD - 47 72 1 0.000000e+00 4.716659e-06 ; 8.548013e-03 6.547074e-03 native_MD + 47 67 1 0.000000e+00 2.754850e-06 ; 5.071960e-03 9.428662e-03 native_MD + 47 72 1 0.000000e+00 4.716597e-06 ; 8.548013e-03 6.547074e-03 native_MD 47 73 1 4.687002e-04 7.512620e-07 ; 1.602815e-03 1.520146e-03 native_MD - 47 74 1 0.000000e+00 2.741019e-06 ; 8.228557e-03 7.533422e-03 native_MD - 47 84 1 0.000000e+00 2.125148e-06 ; 5.133867e-03 2.835165e-02 native_MD - 47 85 1 0.000000e+00 4.720501e-06 ; 3.887112e-03 2.699023e-03 native_MD + 47 74 1 0.000000e+00 2.740994e-06 ; 8.228557e-03 7.533422e-03 native_MD + 47 84 1 0.000000e+00 2.125124e-06 ; 5.133867e-03 2.835165e-02 native_MD + 47 85 1 0.000000e+00 4.720439e-06 ; 3.887112e-03 2.699023e-03 native_MD 47 86 1 3.008650e-04 2.921302e-07 ; 1.999657e-03 3.611759e-03 native_MD - 47 87 1 0.000000e+00 2.737344e-06 ; 3.630125e-03 1.595043e-03 native_MD - 47 91 1 0.000000e+00 2.060983e-06 ; 1.598185e-02 8.305246e-03 native_MD - 47 92 1 0.000000e+00 4.674063e-06 ; 1.473956e-02 3.725810e-03 native_MD - 47 93 1 0.000000e+00 1.208394e-06 ; 9.427382e-03 1.976941e-03 native_MD - 47 94 1 0.000000e+00 1.208394e-06 ; 9.427382e-03 1.976941e-03 native_MD - 48 49 1 0.000000e+00 4.710322e-06 ; 9.998611e-01 9.965194e-01 fibril - 48 50 1 0.000000e+00 4.049088e-07 ; 1.000000e+00 2.692228e-01 fibril - 48 51 1 0.000000e+00 2.567043e-06 ; 4.571597e-01 3.930371e-01 native_MD - 48 53 1 0.000000e+00 2.466749e-05 ; 1.651282e-01 2.042881e-01 native_MD + 47 87 1 0.000000e+00 2.737318e-06 ; 3.630125e-03 1.595043e-03 native_MD + 47 91 1 0.000000e+00 2.060959e-06 ; 1.598185e-02 8.305246e-03 native_MD + 47 92 1 0.000000e+00 4.674002e-06 ; 1.473956e-02 3.725810e-03 native_MD + 47 93 1 0.000000e+00 1.208395e-06 ; 9.427382e-03 1.976941e-03 native_MD + 47 94 1 0.000000e+00 1.208395e-06 ; 9.427382e-03 1.976941e-03 native_MD + 48 49 1 0.000000e+00 4.710261e-06 ; 9.998611e-01 9.965194e-01 fibril + 48 50 1 0.000000e+00 4.049089e-07 ; 1.000000e+00 2.692228e-01 fibril + 48 51 1 0.000000e+00 2.567018e-06 ; 4.571597e-01 3.930371e-01 native_MD + 48 53 1 0.000000e+00 2.466747e-05 ; 1.651282e-01 2.042881e-01 native_MD 48 54 1 3.236210e-03 2.196952e-05 ; 1.658564e-02 1.924826e-02 native_MD 48 55 1 2.196076e-03 1.058120e-05 ; 4.961519e-02 5.558344e-02 native_MD 48 56 1 1.482452e-03 4.577621e-06 ; 1.731199e-02 1.242730e-02 native_MD 48 57 1 1.459986e-03 4.055048e-06 ; 3.085113e-02 2.085887e-02 native_MD - 48 58 1 0.000000e+00 4.658030e-06 ; 2.908798e-02 1.468178e-02 native_MD + 48 58 1 0.000000e+00 4.657969e-06 ; 2.908798e-02 1.468178e-02 native_MD 48 59 1 4.635924e-04 4.546712e-07 ; 4.683739e-02 1.863455e-02 native_MD - 48 60 1 0.000000e+00 2.763823e-06 ; 1.540420e-02 2.302267e-02 native_MD - 48 64 1 0.000000e+00 2.050588e-06 ; 3.099562e-02 1.831445e-02 native_MD - 48 65 1 0.000000e+00 4.831849e-06 ; 8.875107e-03 3.124716e-02 native_MD + 48 60 1 0.000000e+00 2.763797e-06 ; 1.540420e-02 2.302267e-02 native_MD + 48 64 1 0.000000e+00 2.050565e-06 ; 3.099562e-02 1.831445e-02 native_MD + 48 65 1 0.000000e+00 4.831785e-06 ; 8.875107e-03 3.124716e-02 native_MD 48 66 1 2.517614e-04 2.156854e-07 ; 1.216383e-02 4.671823e-02 native_MD - 48 67 1 0.000000e+00 2.765858e-06 ; 3.396862e-03 1.175738e-02 native_MD - 48 72 1 0.000000e+00 4.740603e-06 ; 3.417572e-03 6.482979e-03 native_MD + 48 67 1 0.000000e+00 2.765832e-06 ; 3.396862e-03 1.175738e-02 native_MD + 48 72 1 0.000000e+00 4.740541e-06 ; 3.417572e-03 6.482979e-03 native_MD 48 73 1 4.427933e-04 4.901648e-07 ; 1.126792e-03 1.474971e-03 native_MD - 48 74 1 0.000000e+00 2.748744e-06 ; 2.648422e-03 4.769435e-03 native_MD - 48 84 1 0.000000e+00 2.123569e-06 ; 2.855940e-03 2.531361e-02 native_MD + 48 74 1 0.000000e+00 2.748718e-06 ; 2.648422e-03 4.769435e-03 native_MD + 48 84 1 0.000000e+00 2.123545e-06 ; 2.855940e-03 2.531361e-02 native_MD 48 85 1 0.000000e+00 3.137637e-06 ; 1.177845e-03 2.134235e-03 native_MD 48 86 1 4.427933e-04 4.901648e-07 ; 6.780825e-04 2.186380e-03 native_MD - 48 87 1 0.000000e+00 2.741417e-06 ; 1.466215e-03 9.160395e-04 native_MD - 48 91 1 0.000000e+00 2.069539e-06 ; 8.500713e-03 4.944130e-03 native_MD - 48 92 1 0.000000e+00 4.698595e-06 ; 8.459420e-03 2.636219e-03 native_MD + 48 87 1 0.000000e+00 2.741391e-06 ; 1.466215e-03 9.160395e-04 native_MD + 48 91 1 0.000000e+00 2.069516e-06 ; 8.500713e-03 4.944130e-03 native_MD + 48 92 1 0.000000e+00 4.698533e-06 ; 8.459420e-03 2.636219e-03 native_MD 48 93 1 0.000000e+00 1.212682e-06 ; 5.590435e-03 1.661656e-03 native_MD 48 94 1 0.000000e+00 1.212682e-06 ; 5.590435e-03 1.661656e-03 native_MD 49 54 1 0.000000e+00 1.299682e-06 ; 9.999996e-01 9.999889e-01 native_MD - 49 55 1 0.000000e+00 1.305186e-05 ; 9.999987e-01 9.999984e-01 native_MD - 49 56 1 0.000000e+00 1.722357e-06 ; 1.000000e+00 3.644340e-01 fibril - 49 57 1 0.000000e+00 3.180192e-06 ; 9.998449e-01 6.727425e-01 fibril - 49 58 1 0.000000e+00 1.299285e-06 ; 9.999981e-01 9.999989e-01 native_MD - 49 59 1 0.000000e+00 7.603434e-07 ; 1.000000e+00 9.194631e-01 fibril - 49 60 1 0.000000e+00 1.484017e-06 ; 1.000000e+00 9.839994e-01 fibril - 49 62 1 0.000000e+00 1.383028e-05 ; 8.296750e-01 8.893150e-01 native_MD - 49 63 1 0.000000e+00 6.610184e-06 ; 1.924918e-01 2.361017e-01 native_MD - 49 65 1 0.000000e+00 2.838389e-06 ; 7.932876e-02 1.716177e-01 native_MD - 49 69 1 0.000000e+00 5.574051e-06 ; 1.489320e-03 2.198134e-03 native_MD - 49 70 1 0.000000e+00 5.628249e-06 ; 2.692095e-03 1.313106e-02 native_MD - 49 71 1 0.000000e+00 5.772558e-06 ; 5.763552e-03 4.211041e-02 native_MD + 49 55 1 0.000000e+00 1.305179e-05 ; 9.999987e-01 9.999984e-01 native_MD + 49 56 1 0.000000e+00 1.722335e-06 ; 1.000000e+00 3.644340e-01 fibril + 49 57 1 0.000000e+00 3.180150e-06 ; 9.998449e-01 6.727425e-01 fibril + 49 58 1 0.000000e+00 1.299262e-06 ; 9.999981e-01 9.999989e-01 native_MD + 49 59 1 0.000000e+00 7.603399e-07 ; 1.000000e+00 9.194631e-01 fibril + 49 60 1 0.000000e+00 1.483997e-06 ; 1.000000e+00 9.839994e-01 fibril + 49 62 1 0.000000e+00 1.383021e-05 ; 8.296750e-01 8.893150e-01 native_MD + 49 63 1 0.000000e+00 6.610073e-06 ; 1.924918e-01 2.361017e-01 native_MD + 49 65 1 0.000000e+00 2.838339e-06 ; 7.932876e-02 1.716177e-01 native_MD + 49 69 1 0.000000e+00 5.573959e-06 ; 1.489320e-03 2.198134e-03 native_MD + 49 70 1 0.000000e+00 5.628156e-06 ; 2.692095e-03 1.313106e-02 native_MD + 49 71 1 0.000000e+00 5.772463e-06 ; 5.763552e-03 4.211041e-02 native_MD 49 77 1 0.000000e+00 4.203747e-06 ; 1.832500e-05 9.099131e-05 native_MD - 49 90 1 0.000000e+00 6.126624e-06 ; 3.417643e-02 1.442226e-03 native_MD - 50 54 1 0.000000e+00 2.015545e-06 ; 9.999968e-01 9.999414e-01 native_MD - 50 55 1 0.000000e+00 3.577633e-06 ; 9.998045e-01 8.611594e-01 fibril + 49 90 1 0.000000e+00 6.126521e-06 ; 3.417643e-02 1.442226e-03 native_MD + 50 54 1 0.000000e+00 2.015537e-06 ; 9.999968e-01 9.999414e-01 native_MD + 50 55 1 0.000000e+00 3.577661e-06 ; 9.998045e-01 8.611594e-01 fibril 50 56 1 0.000000e+00 1.581978e-06 ; 8.826861e-02 1.401212e-01 native_MD 50 57 1 0.000000e+00 5.120344e-07 ; 9.997813e-01 3.402316e-01 fibril - 50 58 1 0.000000e+00 8.246628e-07 ; 9.997963e-01 9.970391e-01 native_MD + 50 58 1 0.000000e+00 8.246590e-07 ; 9.997963e-01 9.970391e-01 native_MD 50 59 1 0.000000e+00 1.482423e-06 ; 9.015415e-01 8.898235e-01 native_MD 50 60 1 0.000000e+00 1.429623e-06 ; 9.762911e-01 9.293731e-01 fibril - 50 61 1 0.000000e+00 1.572536e-08 ; 1.496001e-01 1.630805e-01 native_MD - 50 62 1 0.000000e+00 4.195206e-06 ; 5.959296e-01 6.059720e-01 native_MD + 50 61 1 0.000000e+00 1.572561e-08 ; 1.496001e-01 1.630805e-01 native_MD + 50 62 1 0.000000e+00 4.195239e-06 ; 5.959296e-01 6.059720e-01 native_MD 50 63 1 7.296019e-04 1.366684e-06 ; 1.401329e-01 1.600952e-01 native_MD 50 69 1 5.122076e-04 8.328066e-07 ; 2.135032e-03 3.982284e-03 native_MD 50 70 1 3.655555e-04 4.558653e-07 ; 3.968957e-03 1.538650e-02 native_MD - 50 71 1 0.000000e+00 1.832243e-06 ; 6.197872e-03 3.986060e-02 native_MD + 50 71 1 0.000000e+00 1.832237e-06 ; 6.197872e-03 3.986060e-02 native_MD 50 77 1 5.672109e-04 8.043206e-07 ; 7.267500e-06 0.000000e+00 native_MD 50 90 1 3.187039e-04 1.948139e-07 ; 2.922325e-02 1.809750e-03 native_MD 51 55 1 0.000000e+00 5.500000e-07 ; 1.000000e+00 9.999950e-01 native_MD - 51 56 1 0.000000e+00 2.734207e-06 ; 9.999915e-01 9.968129e-01 fibril - 51 57 1 0.000000e+00 2.488439e-06 ; 1.000000e+00 9.072205e-01 fibril - 51 60 1 0.000000e+00 3.002258e-07 ; 9.999970e-01 9.999829e-01 native_MD - 51 62 1 0.000000e+00 7.574743e-06 ; 1.000000e+00 9.999667e-01 native_MD - 51 63 1 0.000000e+00 3.963206e-06 ; 2.296629e-01 3.077689e-01 native_MD - 51 64 1 0.000000e+00 6.618260e-07 ; 2.448345e-02 2.306351e-02 native_MD - 51 65 1 0.000000e+00 1.614506e-06 ; 4.486235e-02 1.153838e-01 native_MD + 51 56 1 0.000000e+00 2.734182e-06 ; 9.999915e-01 9.968129e-01 fibril + 51 57 1 0.000000e+00 2.488415e-06 ; 1.000000e+00 9.072205e-01 fibril + 51 60 1 0.000000e+00 3.002227e-07 ; 9.999970e-01 9.999829e-01 native_MD + 51 62 1 0.000000e+00 7.574731e-06 ; 1.000000e+00 9.999667e-01 native_MD + 51 63 1 0.000000e+00 3.963154e-06 ; 2.296629e-01 3.077689e-01 native_MD + 51 64 1 0.000000e+00 6.618178e-07 ; 2.448345e-02 2.306351e-02 native_MD + 51 65 1 0.000000e+00 1.614483e-06 ; 4.486235e-02 1.153838e-01 native_MD 51 66 1 0.000000e+00 1.617154e-06 ; 1.241927e-01 2.022956e-01 native_MD 51 67 1 0.000000e+00 8.752940e-07 ; 9.791250e-05 1.180410e-04 native_MD 51 69 1 0.000000e+00 1.596026e-06 ; 1.722500e-05 0.000000e+00 native_MD 51 70 1 0.000000e+00 1.596026e-06 ; 2.322050e-04 1.240266e-03 native_MD - 51 71 1 0.000000e+00 3.271343e-06 ; 3.572705e-03 1.550902e-02 native_MD + 51 71 1 0.000000e+00 3.271301e-06 ; 3.572705e-03 1.550902e-02 native_MD 51 74 1 0.000000e+00 2.500000e-05 ; 0.000000e+00 0.000000e+00 native_MD 51 77 1 0.000000e+00 1.897280e-06 ; 0.000000e+00 0.000000e+00 native_MD 51 87 1 0.000000e+00 2.500000e-05 ; 0.000000e+00 0.000000e+00 native_MD 51 90 1 8.140168e-04 1.440308e-06 ; 1.342882e-02 2.531233e-05 native_MD - 52 59 1 0.000000e+00 5.229405e-09 ; 9.997337e-01 3.367624e-01 fibril + 52 59 1 0.000000e+00 5.229487e-09 ; 9.997337e-01 3.367624e-01 fibril 52 61 1 0.000000e+00 1.434965e-08 ; 2.319049e-01 4.277089e-01 native_MD 53 56 1 0.000000e+00 5.000000e-07 ; 9.999932e-01 9.999046e-01 native_MD 53 57 1 0.000000e+00 5.000000e-07 ; 1.000000e+00 9.999074e-01 native_MD - 53 63 1 0.000000e+00 3.181371e-05 ; 9.999981e-01 1.000000e+00 native_MD - 53 64 1 0.000000e+00 3.391744e-06 ; 1.000000e+00 5.913352e-01 fibril - 53 65 1 0.000000e+00 1.305189e-05 ; 9.999983e-01 1.000000e+00 native_MD - 53 66 1 0.000000e+00 3.436144e-06 ; 9.685302e-01 7.958200e-01 native_MD - 53 67 1 0.000000e+00 1.913524e-06 ; 9.999431e-01 2.525537e-01 fibril + 53 63 1 0.000000e+00 3.181358e-05 ; 9.999981e-01 1.000000e+00 native_MD + 53 64 1 0.000000e+00 3.391732e-06 ; 1.000000e+00 5.913352e-01 fibril + 53 65 1 0.000000e+00 1.305182e-05 ; 9.999983e-01 1.000000e+00 native_MD + 53 66 1 0.000000e+00 3.436171e-06 ; 9.685302e-01 7.958200e-01 native_MD + 53 67 1 0.000000e+00 1.913521e-06 ; 9.999431e-01 2.525537e-01 fibril 53 68 1 8.218215e-03 2.283377e-04 ; 9.997636e-01 2.028663e-01 fibril - 53 71 1 0.000000e+00 1.882550e-05 ; 9.998525e-01 6.727442e-01 fibril + 53 71 1 0.000000e+00 1.882543e-05 ; 9.998525e-01 6.727442e-01 fibril 54 59 1 0.000000e+00 1.500000e-06 ; 1.000000e+00 9.999916e-01 native_MD 54 60 1 0.000000e+00 2.700000e-06 ; 9.999995e-01 9.999987e-01 native_MD - 54 62 1 0.000000e+00 3.181363e-05 ; 1.000000e+00 9.999994e-01 native_MD - 54 63 1 0.000000e+00 1.586468e-05 ; 6.670990e-01 6.946774e-01 native_MD - 54 64 1 0.000000e+00 3.044542e-06 ; 3.916413e-02 1.329438e-01 native_MD - 54 65 1 0.000000e+00 4.554235e-06 ; 6.667761e-01 3.857946e-01 native_MD - 54 66 1 0.000000e+00 1.318261e-06 ; 5.325155e-01 1.865263e-01 native_MD + 54 62 1 0.000000e+00 3.181350e-05 ; 1.000000e+00 9.999994e-01 native_MD + 54 63 1 0.000000e+00 1.586443e-05 ; 6.670990e-01 6.946774e-01 native_MD + 54 64 1 0.000000e+00 3.044496e-06 ; 3.916413e-02 1.329438e-01 native_MD + 54 65 1 0.000000e+00 4.554159e-06 ; 6.667761e-01 3.857946e-01 native_MD + 54 66 1 0.000000e+00 1.318256e-06 ; 5.325155e-01 1.865263e-01 native_MD 54 67 1 3.596119e-03 3.033948e-05 ; 1.332668e-01 7.802625e-03 fibril 54 71 1 2.598488e-03 8.440418e-06 ; 9.998755e-01 7.976834e-02 fibril 54 72 1 0.000000e+00 4.203747e-06 ; 1.965050e-04 0.000000e+00 native_MD 54 73 1 5.672109e-04 8.043206e-07 ; 3.739025e-04 0.000000e+00 native_MD 54 74 1 0.000000e+00 1.897280e-06 ; 0.000000e+00 0.000000e+00 native_MD - 54 84 1 0.000000e+00 2.795493e-06 ; 1.038320e-02 1.468986e-02 native_MD + 54 84 1 0.000000e+00 2.795452e-06 ; 1.038320e-02 1.468986e-02 native_MD 54 85 1 0.000000e+00 4.203747e-06 ; 8.282500e-06 0.000000e+00 native_MD 54 86 1 5.672109e-04 8.043206e-07 ; 5.011250e-05 0.000000e+00 native_MD 54 87 1 0.000000e+00 1.897280e-06 ; 4.326375e-04 0.000000e+00 native_MD @@ -1629,310 +1629,310 @@ TTR 3 54 93 1 3.031988e-04 2.815105e-07 ; 1.199336e-02 1.908478e-04 native_MD 54 94 1 3.031988e-04 2.815105e-07 ; 1.199336e-02 1.908478e-04 native_MD 55 58 1 0.000000e+00 1.200000e-06 ; 9.999949e-01 9.999903e-01 native_MD - 55 59 1 0.000000e+00 4.149292e-06 ; 9.998375e-01 9.988256e-01 native_MD - 55 60 1 0.000000e+00 7.575006e-06 ; 9.999977e-01 9.999992e-01 native_MD - 55 62 1 0.000000e+00 6.462153e-05 ; 9.996710e-01 9.854204e-01 fibril - 55 63 1 0.000000e+00 3.224610e-05 ; 1.680803e-01 1.816734e-01 native_MD - 55 64 1 0.000000e+00 5.790382e-06 ; 2.674542e-02 3.627235e-02 native_MD - 55 65 1 0.000000e+00 1.244338e-05 ; 1.716487e-01 1.250282e-01 native_MD + 55 59 1 0.000000e+00 4.149325e-06 ; 9.998375e-01 9.988256e-01 native_MD + 55 60 1 0.000000e+00 7.574994e-06 ; 9.999977e-01 9.999992e-01 native_MD + 55 62 1 0.000000e+00 6.462201e-05 ; 9.996710e-01 9.854204e-01 fibril + 55 63 1 0.000000e+00 3.224596e-05 ; 1.680803e-01 1.816734e-01 native_MD + 55 64 1 0.000000e+00 5.790363e-06 ; 2.674542e-02 3.627235e-02 native_MD + 55 65 1 0.000000e+00 1.244332e-05 ; 1.716487e-01 1.250282e-01 native_MD 55 66 1 6.596436e-04 9.531467e-07 ; 1.918296e-01 9.368801e-02 native_MD - 55 67 1 0.000000e+00 7.512540e-06 ; 3.028120e-02 2.203631e-02 native_MD + 55 67 1 0.000000e+00 7.512528e-06 ; 3.028120e-02 2.203631e-02 native_MD 55 72 1 0.000000e+00 1.401912e-05 ; 5.560700e-04 1.814203e-06 native_MD 55 73 1 1.063450e-03 2.827313e-06 ; 9.619000e-05 1.311972e-07 native_MD 55 74 1 0.000000e+00 6.327260e-06 ; 1.551875e-04 0.000000e+00 native_MD - 55 84 1 0.000000e+00 5.742500e-06 ; 2.066517e-02 2.184409e-02 native_MD + 55 84 1 0.000000e+00 5.742481e-06 ; 2.066517e-02 2.184409e-02 native_MD 55 85 1 0.000000e+00 1.401912e-05 ; 4.811500e-05 0.000000e+00 native_MD 55 86 1 1.063450e-03 2.827313e-06 ; 2.130975e-04 1.000635e-04 native_MD 55 87 1 0.000000e+00 6.327260e-06 ; 1.125515e-03 0.000000e+00 native_MD - 55 91 1 0.000000e+00 5.428502e-06 ; 5.564066e-02 2.075398e-03 native_MD - 55 92 1 0.000000e+00 1.278909e-05 ; 2.111781e-02 9.846013e-04 native_MD - 55 93 1 0.000000e+00 3.313814e-06 ; 1.505795e-02 6.640241e-04 native_MD - 55 94 1 0.000000e+00 3.313814e-06 ; 1.505795e-02 6.640241e-04 native_MD - 56 58 1 0.000000e+00 4.392521e-06 ; 1.000000e+00 9.294147e-01 fibril + 55 91 1 0.000000e+00 5.428483e-06 ; 5.564066e-02 2.075398e-03 native_MD + 55 92 1 0.000000e+00 1.278902e-05 ; 2.111781e-02 9.846013e-04 native_MD + 55 93 1 0.000000e+00 3.313841e-06 ; 1.505795e-02 6.640241e-04 native_MD + 55 94 1 0.000000e+00 3.313841e-06 ; 1.505795e-02 6.640241e-04 native_MD + 56 58 1 0.000000e+00 4.392464e-06 ; 1.000000e+00 9.294147e-01 fibril 56 59 1 9.563340e-04 2.692739e-06 ; 1.000000e+00 1.601775e-01 fibril - 56 60 1 0.000000e+00 2.717766e-06 ; 1.978290e-01 1.886564e-01 native_MD - 56 62 1 0.000000e+00 2.311624e-05 ; 1.744427e-01 1.482536e-01 native_MD - 56 64 1 0.000000e+00 2.054849e-06 ; 1.633883e-02 5.709230e-03 native_MD - 56 65 1 0.000000e+00 4.496550e-06 ; 8.176894e-02 3.319515e-02 native_MD + 56 60 1 0.000000e+00 2.717741e-06 ; 1.978290e-01 1.886564e-01 native_MD + 56 62 1 0.000000e+00 2.311622e-05 ; 1.744427e-01 1.482536e-01 native_MD + 56 64 1 0.000000e+00 2.054826e-06 ; 1.633883e-02 5.709230e-03 native_MD + 56 65 1 0.000000e+00 4.496492e-06 ; 8.176894e-02 3.319515e-02 native_MD 56 66 1 4.887167e-04 4.902249e-07 ; 1.023088e-01 3.385768e-02 native_MD - 56 67 1 0.000000e+00 2.740627e-06 ; 5.151055e-03 4.312855e-03 native_MD + 56 67 1 0.000000e+00 2.740601e-06 ; 5.151055e-03 4.312855e-03 native_MD 56 72 1 0.000000e+00 3.137637e-06 ; 3.497850e-04 1.036546e-05 native_MD 56 73 1 4.427933e-04 4.901648e-07 ; 2.300250e-05 0.000000e+00 native_MD 56 74 1 0.000000e+00 1.416111e-06 ; 1.042075e-04 0.000000e+00 native_MD - 56 84 1 0.000000e+00 2.075629e-06 ; 1.914259e-02 1.851804e-02 native_MD + 56 84 1 0.000000e+00 2.075606e-06 ; 1.914259e-02 1.851804e-02 native_MD 56 85 1 0.000000e+00 3.137637e-06 ; 2.846750e-05 0.000000e+00 native_MD 56 86 1 4.427933e-04 4.901648e-07 ; 1.044950e-04 0.000000e+00 native_MD 56 87 1 0.000000e+00 1.416111e-06 ; 3.618225e-04 4.766403e-06 native_MD - 56 91 1 0.000000e+00 2.006198e-06 ; 3.517620e-02 1.121699e-03 native_MD - 56 92 1 0.000000e+00 4.650902e-06 ; 1.656192e-02 6.475105e-04 native_MD + 56 91 1 0.000000e+00 2.006175e-06 ; 3.517620e-02 1.121699e-03 native_MD + 56 92 1 0.000000e+00 4.650842e-06 ; 1.656192e-02 6.475105e-04 native_MD 56 93 1 0.000000e+00 1.204206e-06 ; 1.125444e-02 3.636299e-04 native_MD 56 94 1 0.000000e+00 1.204206e-06 ; 1.125444e-02 3.636299e-04 native_MD - 57 58 1 0.000000e+00 4.710950e-06 ; 9.999915e-01 9.967826e-01 fibril + 57 58 1 0.000000e+00 4.710888e-06 ; 9.999915e-01 9.967826e-01 fibril 57 59 1 0.000000e+00 1.664381e-06 ; 1.694133e-01 2.760555e-01 native_MD - 57 60 1 0.000000e+00 2.559689e-06 ; 4.561760e-01 3.893726e-01 native_MD - 57 62 1 0.000000e+00 2.456021e-05 ; 1.665272e-01 2.011680e-01 native_MD - 57 64 1 0.000000e+00 2.089148e-06 ; 4.987140e-03 1.087148e-02 native_MD - 57 65 1 0.000000e+00 4.694835e-06 ; 2.510235e-02 1.848369e-02 native_MD + 57 60 1 0.000000e+00 2.559665e-06 ; 4.561760e-01 3.893726e-01 native_MD + 57 62 1 0.000000e+00 2.456020e-05 ; 1.665272e-01 2.011680e-01 native_MD + 57 64 1 0.000000e+00 2.089124e-06 ; 4.987140e-03 1.087148e-02 native_MD + 57 65 1 0.000000e+00 4.694774e-06 ; 2.510235e-02 1.848369e-02 native_MD 57 66 1 5.014926e-04 5.320042e-07 ; 6.146326e-02 2.444044e-02 native_MD - 57 67 1 0.000000e+00 2.742346e-06 ; 3.908350e-03 3.696869e-03 native_MD + 57 67 1 0.000000e+00 2.742320e-06 ; 3.908350e-03 3.696869e-03 native_MD 57 72 1 0.000000e+00 3.137637e-06 ; 2.477400e-04 3.587304e-06 native_MD 57 73 1 4.427933e-04 4.901648e-07 ; 1.211750e-05 0.000000e+00 native_MD 57 74 1 0.000000e+00 1.416111e-06 ; 1.375250e-04 0.000000e+00 native_MD - 57 84 1 0.000000e+00 2.086490e-06 ; 1.434568e-02 1.895037e-02 native_MD + 57 84 1 0.000000e+00 2.086466e-06 ; 1.434568e-02 1.895037e-02 native_MD 57 85 1 0.000000e+00 3.137637e-06 ; 5.481500e-05 0.000000e+00 native_MD 57 86 1 4.427933e-04 4.901648e-07 ; 1.510650e-04 9.191538e-05 native_MD 57 87 1 0.000000e+00 1.416111e-06 ; 2.779350e-04 0.000000e+00 native_MD - 57 91 1 0.000000e+00 2.005921e-06 ; 3.553262e-02 1.344839e-03 native_MD - 57 92 1 0.000000e+00 4.662225e-06 ; 1.438504e-02 8.663516e-04 native_MD + 57 91 1 0.000000e+00 2.005898e-06 ; 3.553262e-02 1.344839e-03 native_MD + 57 92 1 0.000000e+00 4.662164e-06 ; 1.438504e-02 8.663516e-04 native_MD 57 93 1 0.000000e+00 1.205520e-06 ; 1.031979e-02 5.083112e-04 native_MD 57 94 1 0.000000e+00 1.205520e-06 ; 1.031979e-02 5.083112e-04 native_MD 58 63 1 0.000000e+00 1.299682e-06 ; 1.000000e+00 9.999973e-01 native_MD - 58 64 1 0.000000e+00 9.328260e-07 ; 1.000000e+00 8.168635e-01 fibril - 58 65 1 0.000000e+00 1.299285e-06 ; 1.000000e+00 1.000000e+00 native_MD - 58 66 1 0.000000e+00 8.002908e-07 ; 9.946487e-01 9.624191e-01 native_MD - 58 67 1 0.000000e+00 1.393101e-06 ; 9.999078e-01 9.236236e-01 fibril - 58 68 1 0.000000e+00 7.774424e-06 ; 1.000000e+00 5.956562e-01 fibril - 58 69 1 0.000000e+00 5.565969e-06 ; 6.716055e-03 5.973915e-03 native_MD + 58 64 1 0.000000e+00 9.328112e-07 ; 1.000000e+00 8.168635e-01 fibril + 58 65 1 0.000000e+00 1.299262e-06 ; 1.000000e+00 1.000000e+00 native_MD + 58 66 1 0.000000e+00 8.002871e-07 ; 9.946487e-01 9.624191e-01 native_MD + 58 67 1 0.000000e+00 1.393081e-06 ; 9.999078e-01 9.236236e-01 fibril + 58 68 1 0.000000e+00 7.774384e-06 ; 1.000000e+00 5.956562e-01 fibril + 58 69 1 0.000000e+00 5.565877e-06 ; 6.716055e-03 5.973915e-03 native_MD 58 70 1 1.948901e-03 1.177226e-05 ; 1.000000e+00 1.755583e-01 fibril - 58 71 1 0.000000e+00 5.496884e-06 ; 9.999972e-01 9.868523e-01 fibril + 58 71 1 0.000000e+00 5.496794e-06 ; 9.999972e-01 9.868523e-01 fibril 58 72 1 0.000000e+00 2.598570e-06 ; 3.893525e-04 3.001241e-04 native_MD 58 77 1 0.000000e+00 4.203747e-06 ; 0.000000e+00 0.000000e+00 native_MD 58 90 1 1.438820e-03 6.685468e-06 ; 6.133560e-02 1.209280e-03 native_MD - 59 63 1 0.000000e+00 2.015609e-06 ; 1.000000e+00 9.999764e-01 native_MD - 59 64 1 0.000000e+00 1.066255e-07 ; 1.000000e+00 2.934059e-01 fibril - 59 65 1 0.000000e+00 8.105841e-07 ; 9.999662e-01 9.801840e-01 fibril + 59 63 1 0.000000e+00 2.015601e-06 ; 1.000000e+00 9.999764e-01 native_MD + 59 64 1 0.000000e+00 1.066252e-07 ; 1.000000e+00 2.934059e-01 fibril + 59 65 1 0.000000e+00 8.105804e-07 ; 9.999662e-01 9.801840e-01 fibril 59 66 1 0.000000e+00 1.084147e-06 ; 8.900180e-01 6.127824e-01 native_MD 59 67 1 0.000000e+00 1.075573e-06 ; 1.000000e+00 7.170486e-01 fibril - 59 68 1 0.000000e+00 2.972097e-06 ; 6.405555e-01 3.561209e-01 native_MD + 59 68 1 0.000000e+00 2.972121e-06 ; 6.405555e-01 3.561209e-01 native_MD 59 69 1 1.595191e-03 6.411595e-06 ; 2.998399e-02 3.119387e-02 native_MD 59 70 1 8.731814e-04 2.285450e-06 ; 1.024745e-01 2.378007e-01 native_MD - 59 71 1 0.000000e+00 1.460129e-06 ; 1.000000e+00 8.237337e-01 fibril + 59 71 1 0.000000e+00 1.460124e-06 ; 1.000000e+00 8.237337e-01 fibril 59 77 1 5.672109e-04 8.043206e-07 ; 0.000000e+00 6.894806e-05 native_MD 59 90 1 1.185594e-03 4.730389e-06 ; 1.701995e-03 1.385044e-03 native_MD - 60 64 1 0.000000e+00 1.325534e-07 ; 9.912787e-01 9.598333e-01 native_MD - 60 67 1 0.000000e+00 3.002258e-07 ; 9.999968e-01 9.999944e-01 native_MD - 60 68 1 0.000000e+00 7.574547e-06 ; 1.000000e+00 9.999409e-01 native_MD + 60 64 1 0.000000e+00 1.325518e-07 ; 9.912787e-01 9.598333e-01 native_MD + 60 67 1 0.000000e+00 3.002227e-07 ; 9.999968e-01 9.999944e-01 native_MD + 60 68 1 0.000000e+00 7.574535e-06 ; 1.000000e+00 9.999409e-01 native_MD 60 69 1 3.578531e-03 2.837790e-05 ; 1.525132e-01 6.534072e-03 fibril 60 70 1 1.578350e-03 7.724529e-06 ; 1.000000e+00 1.756884e-01 fibril - 60 71 1 0.000000e+00 3.232751e-06 ; 1.000000e+00 9.999983e-01 native_MD + 60 71 1 0.000000e+00 3.232709e-06 ; 1.000000e+00 9.999983e-01 native_MD 60 72 1 0.000000e+00 1.508149e-06 ; 9.402500e-05 2.687327e-04 native_MD 60 73 1 0.000000e+00 1.500000e-06 ; 1.063885e-03 1.195135e-03 native_MD 60 74 1 0.000000e+00 8.752940e-07 ; 3.620000e-06 4.510572e-06 native_MD 60 77 1 0.000000e+00 1.897280e-06 ; 1.754500e-05 0.000000e+00 native_MD 60 87 1 1.239379e-03 4.124664e-06 ; 4.419617e-03 0.000000e+00 native_MD - 60 90 1 0.000000e+00 3.307195e-06 ; 1.076094e-01 7.261533e-03 native_MD - 61 64 1 0.000000e+00 1.732345e-08 ; 6.862419e-01 4.947296e-01 native_MD - 61 66 1 0.000000e+00 1.892335e-08 ; 5.203142e-01 7.399009e-01 native_MD - 62 69 1 0.000000e+00 2.797703e-05 ; 9.999993e-01 1.000000e+00 native_MD - 62 70 1 0.000000e+00 2.797701e-05 ; 1.000000e+00 1.000000e+00 native_MD - 62 72 1 0.000000e+00 1.305188e-05 ; 9.999985e-01 1.000000e+00 native_MD - 62 73 1 0.000000e+00 3.124281e-06 ; 1.000000e+00 7.522054e-01 fibril - 62 74 1 0.000000e+00 7.685631e-06 ; 3.780943e-01 3.926997e-01 native_MD - 62 76 1 0.000000e+00 4.574986e-05 ; 7.413062e-01 4.391835e-01 fibril + 60 90 1 0.000000e+00 3.307151e-06 ; 1.076094e-01 7.261533e-03 native_MD + 61 64 1 0.000000e+00 1.732353e-08 ; 6.862419e-01 4.947296e-01 native_MD + 61 66 1 0.000000e+00 1.892365e-08 ; 5.203142e-01 7.399009e-01 native_MD + 62 69 1 0.000000e+00 2.797692e-05 ; 9.999993e-01 1.000000e+00 native_MD + 62 70 1 0.000000e+00 2.797690e-05 ; 1.000000e+00 1.000000e+00 native_MD + 62 72 1 0.000000e+00 1.305182e-05 ; 9.999985e-01 1.000000e+00 native_MD + 62 73 1 0.000000e+00 3.124306e-06 ; 1.000000e+00 7.522054e-01 fibril + 62 74 1 0.000000e+00 7.685619e-06 ; 3.780943e-01 3.926997e-01 native_MD + 62 76 1 0.000000e+00 4.575020e-05 ; 7.413062e-01 4.391835e-01 fibril 63 66 1 0.000000e+00 1.500000e-06 ; 1.000000e+00 1.000000e+00 native_MD 63 67 1 0.000000e+00 2.700000e-06 ; 9.999989e-01 9.999963e-01 native_MD - 63 68 1 0.000000e+00 3.181365e-05 ; 1.000000e+00 1.000000e+00 native_MD - 63 69 1 0.000000e+00 9.932709e-06 ; 7.685318e-01 5.001147e-01 native_MD - 63 70 1 0.000000e+00 1.270596e-05 ; 9.765179e-01 9.123614e-01 native_MD - 63 71 1 0.000000e+00 1.357695e-05 ; 1.000000e+00 9.999954e-01 native_MD - 63 72 1 0.000000e+00 5.778851e-06 ; 9.610463e-01 8.734060e-01 native_MD - 63 73 1 0.000000e+00 1.848424e-06 ; 6.149340e-01 5.319675e-01 native_MD - 63 74 1 0.000000e+00 3.491970e-06 ; 2.789214e-01 2.288376e-01 native_MD - 63 84 1 0.000000e+00 2.813400e-06 ; 4.723721e-02 5.797711e-02 native_MD - 63 85 1 0.000000e+00 6.001590e-06 ; 1.738746e-01 1.214002e-01 native_MD + 63 68 1 0.000000e+00 3.181352e-05 ; 1.000000e+00 1.000000e+00 native_MD + 63 69 1 0.000000e+00 9.932554e-06 ; 7.685318e-01 5.001147e-01 native_MD + 63 70 1 0.000000e+00 1.270576e-05 ; 9.765179e-01 9.123614e-01 native_MD + 63 71 1 0.000000e+00 1.357674e-05 ; 1.000000e+00 9.999954e-01 native_MD + 63 72 1 0.000000e+00 5.778754e-06 ; 9.610463e-01 8.734060e-01 native_MD + 63 73 1 0.000000e+00 1.848417e-06 ; 6.149340e-01 5.319675e-01 native_MD + 63 74 1 0.000000e+00 3.491924e-06 ; 2.789214e-01 2.288376e-01 native_MD + 63 84 1 0.000000e+00 2.813358e-06 ; 4.723721e-02 5.797711e-02 native_MD + 63 85 1 0.000000e+00 6.001489e-06 ; 1.738746e-01 1.214002e-01 native_MD 63 86 1 3.445249e-04 3.197273e-07 ; 7.982958e-02 1.149486e-01 native_MD - 63 87 1 0.000000e+00 3.373922e-06 ; 1.387699e-01 5.657384e-02 native_MD - 63 91 1 0.000000e+00 2.445719e-06 ; 1.638952e-01 4.254232e-02 native_MD - 63 92 1 0.000000e+00 6.213574e-06 ; 3.838868e-02 1.938201e-02 native_MD - 63 93 1 0.000000e+00 1.606403e-06 ; 2.025656e-02 4.781706e-03 native_MD - 63 94 1 0.000000e+00 1.606403e-06 ; 2.025656e-02 4.781706e-03 native_MD - 64 65 1 0.000000e+00 2.854902e-07 ; 9.999892e-01 9.990890e-01 native_MD - 64 66 1 0.000000e+00 2.716194e-07 ; 8.875945e-01 6.350212e-01 fibril - 64 67 1 0.000000e+00 5.767158e-07 ; 7.775949e-01 6.477586e-01 native_MD - 64 68 1 0.000000e+00 4.911215e-06 ; 6.365040e-01 4.927522e-01 native_MD - 64 69 1 0.000000e+00 2.422980e-06 ; 4.516804e-02 3.501911e-02 native_MD - 64 70 1 0.000000e+00 2.244297e-06 ; 2.085295e-01 1.253840e-01 native_MD - 64 71 1 0.000000e+00 2.185734e-06 ; 9.257959e-01 8.187258e-01 native_MD - 64 72 1 0.000000e+00 9.917891e-07 ; 3.089222e-01 1.774189e-01 native_MD - 64 77 1 0.000000e+00 2.301028e-06 ; 2.320832e-01 5.874865e-02 native_MD - 64 90 1 0.000000e+00 2.534178e-06 ; 1.322250e-01 4.265163e-02 native_MD + 63 87 1 0.000000e+00 3.373878e-06 ; 1.387699e-01 5.657384e-02 native_MD + 63 91 1 0.000000e+00 2.445683e-06 ; 1.638952e-01 4.254232e-02 native_MD + 63 92 1 0.000000e+00 6.213469e-06 ; 3.838868e-02 1.938201e-02 native_MD + 63 93 1 0.000000e+00 1.606397e-06 ; 2.025656e-02 4.781706e-03 native_MD + 63 94 1 0.000000e+00 1.606397e-06 ; 2.025656e-02 4.781706e-03 native_MD + 64 65 1 0.000000e+00 2.854856e-07 ; 9.999892e-01 9.990890e-01 native_MD + 64 66 1 0.000000e+00 2.716187e-07 ; 8.875945e-01 6.350212e-01 fibril + 64 67 1 0.000000e+00 5.767088e-07 ; 7.775949e-01 6.477586e-01 native_MD + 64 68 1 0.000000e+00 4.911199e-06 ; 6.365040e-01 4.927522e-01 native_MD + 64 69 1 0.000000e+00 2.422944e-06 ; 4.516804e-02 3.501911e-02 native_MD + 64 70 1 0.000000e+00 2.244264e-06 ; 2.085295e-01 1.253840e-01 native_MD + 64 71 1 0.000000e+00 2.185702e-06 ; 9.257959e-01 8.187258e-01 native_MD + 64 72 1 0.000000e+00 9.917733e-07 ; 3.089222e-01 1.774189e-01 native_MD + 64 77 1 0.000000e+00 2.300994e-06 ; 2.320832e-01 5.874865e-02 native_MD + 64 90 1 0.000000e+00 2.534140e-06 ; 1.322250e-01 4.265163e-02 native_MD 65 69 1 0.000000e+00 1.299682e-06 ; 1.000000e+00 9.999893e-01 native_MD - 65 72 1 0.000000e+00 1.299285e-06 ; 9.999997e-01 9.999963e-01 native_MD - 65 73 1 0.000000e+00 8.106672e-07 ; 9.999554e-01 9.802737e-01 fibril - 65 74 1 0.000000e+00 1.504155e-06 ; 1.000000e+00 9.973522e-01 fibril - 65 76 1 0.000000e+00 1.249050e-05 ; 9.997809e-01 9.567704e-01 fibril - 65 77 1 0.000000e+00 4.291625e-06 ; 5.439840e-01 2.215419e-01 fibril - 65 85 1 0.000000e+00 2.459752e-06 ; 2.034752e-01 1.500543e-01 native_MD - 65 90 1 0.000000e+00 5.462491e-06 ; 1.917746e-01 5.418776e-02 native_MD - 66 69 1 0.000000e+00 1.772411e-06 ; 9.999999e-01 9.999084e-01 native_MD - 66 70 1 0.000000e+00 1.668747e-06 ; 1.000000e+00 9.414262e-01 fibril - 66 72 1 0.000000e+00 8.269429e-07 ; 1.000000e+00 1.000000e+00 fibril + 65 72 1 0.000000e+00 1.299262e-06 ; 9.999997e-01 9.999963e-01 native_MD + 65 73 1 0.000000e+00 8.106635e-07 ; 9.999554e-01 9.802737e-01 fibril + 65 74 1 0.000000e+00 1.504134e-06 ; 1.000000e+00 9.973522e-01 fibril + 65 76 1 0.000000e+00 1.249043e-05 ; 9.997809e-01 9.567704e-01 fibril + 65 77 1 0.000000e+00 4.291553e-06 ; 5.439840e-01 2.215419e-01 fibril + 65 85 1 0.000000e+00 2.459708e-06 ; 2.034752e-01 1.500543e-01 native_MD + 65 90 1 0.000000e+00 5.462400e-06 ; 1.917746e-01 5.418776e-02 native_MD + 66 69 1 0.000000e+00 1.772405e-06 ; 9.999999e-01 9.999084e-01 native_MD + 66 70 1 0.000000e+00 1.668742e-06 ; 1.000000e+00 9.414262e-01 fibril + 66 72 1 0.000000e+00 8.269390e-07 ; 1.000000e+00 1.000000e+00 fibril 66 73 1 0.000000e+00 1.485646e-06 ; 1.000000e+00 9.904307e-01 fibril 66 74 1 0.000000e+00 1.487811e-06 ; 9.998845e-01 9.917585e-01 fibril - 66 75 1 0.000000e+00 1.401927e-08 ; 2.197097e-01 1.232345e-01 native_MD - 66 76 1 0.000000e+00 3.377832e-06 ; 1.000000e+00 8.132507e-01 fibril + 66 75 1 0.000000e+00 1.401949e-08 ; 2.197097e-01 1.232345e-01 native_MD + 66 76 1 0.000000e+00 3.377859e-06 ; 1.000000e+00 8.132507e-01 fibril 66 77 1 7.582880e-04 1.691149e-06 ; 1.065327e-01 2.279564e-01 native_MD 66 79 1 3.261834e-04 1.329958e-07 ; 9.999582e-01 2.034363e-01 fibril 66 80 1 3.261834e-04 1.329958e-07 ; 9.999582e-01 2.034363e-01 fibril 66 81 1 2.112967e-04 1.075268e-07 ; 3.983161e-02 1.857662e-01 native_MD 66 82 1 2.112967e-04 1.075268e-07 ; 3.983161e-02 1.857662e-01 native_MD 66 90 1 3.354626e-04 2.297558e-07 ; 2.070340e-01 6.630114e-02 native_MD - 67 74 1 0.000000e+00 3.002258e-07 ; 1.000000e+00 9.999676e-01 native_MD - 67 76 1 0.000000e+00 7.573590e-06 ; 1.000000e+00 9.998146e-01 native_MD - 67 77 1 0.000000e+00 3.326934e-06 ; 2.386671e-01 1.436888e-01 native_MD - 67 78 1 0.000000e+00 1.413711e-06 ; 7.779461e-02 1.517643e-02 native_MD - 67 85 1 0.000000e+00 1.525889e-06 ; 2.961457e-02 4.137720e-02 native_MD + 67 74 1 0.000000e+00 3.002227e-07 ; 1.000000e+00 9.999676e-01 native_MD + 67 76 1 0.000000e+00 7.573579e-06 ; 1.000000e+00 9.998146e-01 native_MD + 67 77 1 0.000000e+00 3.326890e-06 ; 2.386671e-01 1.436888e-01 native_MD + 67 78 1 0.000000e+00 1.413691e-06 ; 7.779461e-02 1.517643e-02 native_MD + 67 85 1 0.000000e+00 1.525867e-06 ; 2.961457e-02 4.137720e-02 native_MD 67 86 1 0.000000e+00 1.552080e-06 ; 5.583809e-02 9.055800e-02 native_MD - 67 87 1 0.000000e+00 8.288787e-07 ; 6.641760e-02 1.338941e-02 native_MD - 67 90 1 0.000000e+00 3.615461e-06 ; 1.870330e-02 2.212724e-03 native_MD - 68 77 1 0.000000e+00 3.181369e-05 ; 9.999988e-01 1.000000e+00 native_MD - 68 78 1 0.000000e+00 9.255101e-06 ; 9.998384e-01 7.089402e-01 fibril - 68 79 1 0.000000e+00 6.091615e-06 ; 1.000000e+00 4.667237e-01 fibril - 68 80 1 0.000000e+00 6.091615e-06 ; 1.000000e+00 4.667237e-01 fibril + 67 87 1 0.000000e+00 8.288701e-07 ; 6.641760e-02 1.338941e-02 native_MD + 67 90 1 0.000000e+00 3.615413e-06 ; 1.870330e-02 2.212724e-03 native_MD + 68 77 1 0.000000e+00 3.181356e-05 ; 9.999988e-01 1.000000e+00 native_MD + 68 78 1 0.000000e+00 9.255053e-06 ; 9.998384e-01 7.089402e-01 fibril + 68 79 1 0.000000e+00 6.091583e-06 ; 1.000000e+00 4.667237e-01 fibril + 68 80 1 0.000000e+00 6.091583e-06 ; 1.000000e+00 4.667237e-01 fibril 68 81 1 3.628624e-03 2.776751e-05 ; 2.312253e-01 2.051636e-01 native_MD 68 82 1 3.628624e-03 2.776751e-05 ; 2.312253e-01 2.051636e-01 native_MD - 68 85 1 0.000000e+00 1.305174e-05 ; 1.000000e+00 9.999907e-01 native_MD - 68 86 1 0.000000e+00 2.169526e-06 ; 1.000000e+00 5.223375e-01 fibril - 68 87 1 0.000000e+00 8.320149e-06 ; 4.403530e-01 5.387233e-01 native_MD - 68 89 1 0.000000e+00 7.017224e-05 ; 4.512031e-01 5.216241e-01 native_MD + 68 85 1 0.000000e+00 1.305168e-05 ; 1.000000e+00 9.999907e-01 native_MD + 68 86 1 0.000000e+00 2.169543e-06 ; 1.000000e+00 5.223375e-01 fibril + 68 87 1 0.000000e+00 8.320136e-06 ; 4.403530e-01 5.387233e-01 native_MD + 68 89 1 0.000000e+00 7.017276e-05 ; 4.512031e-01 5.216241e-01 native_MD 69 73 1 0.000000e+00 1.500000e-06 ; 1.000000e+00 1.000000e+00 native_MD 69 74 1 0.000000e+00 2.700000e-06 ; 1.000000e+00 1.000000e+00 native_MD - 69 76 1 0.000000e+00 2.797703e-05 ; 9.999993e-01 1.000000e+00 native_MD - 69 77 1 0.000000e+00 1.015055e-05 ; 7.911776e-01 5.388051e-01 native_MD - 69 78 1 0.000000e+00 4.839915e-06 ; 2.606131e-01 1.295226e-01 native_MD - 69 84 1 0.000000e+00 2.372143e-06 ; 3.502035e-02 4.103264e-03 native_MD - 69 85 1 0.000000e+00 4.797060e-06 ; 6.735665e-01 5.347823e-01 fibril - 69 86 1 0.000000e+00 1.367898e-06 ; 3.857515e-01 1.574532e-01 native_MD - 69 87 1 0.000000e+00 3.863344e-06 ; 5.868987e-02 2.537519e-01 native_MD - 69 91 1 0.000000e+00 2.486708e-06 ; 3.186822e-02 4.775410e-02 native_MD - 69 92 1 0.000000e+00 6.084201e-06 ; 2.174533e-02 1.140413e-01 native_MD - 69 93 1 0.000000e+00 1.433386e-06 ; 1.274218e-02 1.170166e-02 native_MD - 69 94 1 0.000000e+00 1.433386e-06 ; 1.274218e-02 1.170166e-02 native_MD + 69 76 1 0.000000e+00 2.797692e-05 ; 9.999993e-01 1.000000e+00 native_MD + 69 77 1 0.000000e+00 1.015039e-05 ; 7.911776e-01 5.388051e-01 native_MD + 69 78 1 0.000000e+00 4.839835e-06 ; 2.606131e-01 1.295226e-01 native_MD + 69 84 1 0.000000e+00 2.372108e-06 ; 3.502035e-02 4.103264e-03 native_MD + 69 85 1 0.000000e+00 4.796981e-06 ; 6.735665e-01 5.347823e-01 fibril + 69 86 1 0.000000e+00 1.367893e-06 ; 3.857515e-01 1.574532e-01 native_MD + 69 87 1 0.000000e+00 3.863295e-06 ; 5.868987e-02 2.537519e-01 native_MD + 69 91 1 0.000000e+00 2.486672e-06 ; 3.186822e-02 4.775410e-02 native_MD + 69 92 1 0.000000e+00 6.084100e-06 ; 2.174533e-02 1.140413e-01 native_MD + 69 93 1 0.000000e+00 1.433382e-06 ; 1.274218e-02 1.170166e-02 native_MD + 69 94 1 0.000000e+00 1.433382e-06 ; 1.274218e-02 1.170166e-02 native_MD 70 72 1 0.000000e+00 1.200000e-06 ; 1.000000e+00 9.999996e-01 native_MD - 70 73 1 0.000000e+00 1.729562e-06 ; 9.996976e-01 9.754327e-01 fibril - 70 74 1 0.000000e+00 3.225956e-06 ; 9.998860e-01 9.977825e-01 native_MD - 70 76 1 0.000000e+00 2.077544e-05 ; 1.000000e+00 7.425895e-01 fibril - 70 77 1 0.000000e+00 1.232267e-05 ; 1.874533e-01 9.506601e-02 native_MD - 70 84 1 0.000000e+00 2.288111e-06 ; 7.279231e-02 7.545838e-03 native_MD - 70 85 1 0.000000e+00 5.227155e-06 ; 8.287463e-02 2.130534e-02 native_MD + 70 73 1 0.000000e+00 1.729556e-06 ; 9.996976e-01 9.754327e-01 fibril + 70 74 1 0.000000e+00 3.225915e-06 ; 9.998860e-01 9.977825e-01 native_MD + 70 76 1 0.000000e+00 2.077535e-05 ; 1.000000e+00 7.425895e-01 fibril + 70 77 1 0.000000e+00 1.232248e-05 ; 1.874533e-01 9.506601e-02 native_MD + 70 84 1 0.000000e+00 2.288077e-06 ; 7.279231e-02 7.545838e-03 native_MD + 70 85 1 0.000000e+00 5.227069e-06 ; 8.287463e-02 2.130534e-02 native_MD 70 86 1 1.470004e-03 3.879695e-06 ; 8.042165e-02 1.098844e-02 native_MD - 70 87 1 0.000000e+00 3.259234e-06 ; 1.629041e-02 2.448088e-02 native_MD - 70 91 1 0.000000e+00 2.427482e-06 ; 2.145937e-02 1.314987e-02 native_MD - 70 92 1 0.000000e+00 5.627121e-06 ; 1.390509e-02 2.414168e-02 native_MD - 70 93 1 0.000000e+00 1.426038e-06 ; 9.733205e-03 3.571768e-03 native_MD - 70 94 1 0.000000e+00 1.426038e-06 ; 9.733205e-03 3.571768e-03 native_MD - 71 73 1 0.000000e+00 1.643441e-06 ; 1.000000e+00 9.271495e-01 fibril - 71 74 1 0.000000e+00 3.192605e-06 ; 9.997430e-01 9.873228e-01 native_MD - 71 76 1 0.000000e+00 1.834017e-05 ; 9.476303e-01 6.031744e-01 fibril - 71 77 1 0.000000e+00 1.212247e-05 ; 2.222456e-01 1.151127e-01 native_MD - 71 84 1 0.000000e+00 2.397447e-06 ; 2.272352e-02 2.143744e-03 native_MD - 71 85 1 0.000000e+00 5.602391e-06 ; 2.735507e-03 8.532181e-03 native_MD + 70 87 1 0.000000e+00 3.259192e-06 ; 1.629041e-02 2.448088e-02 native_MD + 70 91 1 0.000000e+00 2.427447e-06 ; 2.145937e-02 1.314987e-02 native_MD + 70 92 1 0.000000e+00 5.627029e-06 ; 1.390509e-02 2.414168e-02 native_MD + 70 93 1 0.000000e+00 1.426034e-06 ; 9.733205e-03 3.571768e-03 native_MD + 70 94 1 0.000000e+00 1.426034e-06 ; 9.733205e-03 3.571768e-03 native_MD + 71 73 1 0.000000e+00 1.643435e-06 ; 1.000000e+00 9.271495e-01 fibril + 71 74 1 0.000000e+00 3.192564e-06 ; 9.997430e-01 9.873228e-01 native_MD + 71 76 1 0.000000e+00 1.834009e-05 ; 9.476303e-01 6.031744e-01 fibril + 71 77 1 0.000000e+00 1.212228e-05 ; 2.222456e-01 1.151127e-01 native_MD + 71 84 1 0.000000e+00 2.397412e-06 ; 2.272352e-02 2.143744e-03 native_MD + 71 85 1 0.000000e+00 5.602298e-06 ; 2.735507e-03 8.532181e-03 native_MD 71 86 1 1.352718e-03 5.495293e-06 ; 2.814077e-03 6.582193e-03 native_MD 71 87 1 0.000000e+00 1.596026e-06 ; 3.317625e-04 2.696322e-03 native_MD - 71 91 1 0.000000e+00 2.435440e-06 ; 6.819990e-03 1.761612e-03 native_MD + 71 91 1 0.000000e+00 2.435405e-06 ; 6.819990e-03 1.761612e-03 native_MD 71 92 1 0.000000e+00 3.536268e-06 ; 6.613650e-04 2.105895e-03 native_MD - 71 93 1 0.000000e+00 1.432853e-06 ; 1.920400e-03 5.082938e-04 native_MD - 71 94 1 0.000000e+00 1.432853e-06 ; 1.920400e-03 5.082938e-04 native_MD + 71 93 1 0.000000e+00 1.432849e-06 ; 1.920400e-03 5.082938e-04 native_MD + 71 94 1 0.000000e+00 1.432849e-06 ; 1.920400e-03 5.082938e-04 native_MD 72 77 1 0.000000e+00 1.299682e-06 ; 9.999980e-01 9.999970e-01 native_MD - 72 78 1 0.000000e+00 2.454200e-06 ; 1.000000e+00 9.444424e-01 fibril - 72 79 1 0.000000e+00 1.536947e-06 ; 9.999993e-01 5.914579e-01 fibril - 72 80 1 0.000000e+00 1.536947e-06 ; 9.999993e-01 5.914579e-01 fibril + 72 78 1 0.000000e+00 2.454156e-06 ; 1.000000e+00 9.444424e-01 fibril + 72 79 1 0.000000e+00 1.536919e-06 ; 9.999993e-01 5.914579e-01 fibril + 72 80 1 0.000000e+00 1.536919e-06 ; 9.999993e-01 5.914579e-01 fibril 72 81 1 1.177428e-03 4.158582e-06 ; 9.999478e-01 1.656834e-01 fibril 72 82 1 1.177428e-03 4.158582e-06 ; 9.999478e-01 1.656834e-01 fibril - 72 85 1 0.000000e+00 1.299285e-06 ; 9.999975e-01 1.000000e+00 native_MD - 72 86 1 0.000000e+00 7.200490e-07 ; 1.000000e+00 8.707361e-01 fibril - 72 87 1 0.000000e+00 1.420395e-06 ; 1.000000e+00 9.418135e-01 fibril - 72 89 1 0.000000e+00 1.224006e-05 ; 8.258083e-01 7.636099e-01 native_MD - 72 90 1 0.000000e+00 6.171646e-06 ; 2.017894e-01 1.761632e-01 native_MD - 72 92 1 0.000000e+00 2.669371e-06 ; 8.281249e-02 1.100585e-01 native_MD - 73 77 1 0.000000e+00 2.015576e-06 ; 1.000000e+00 9.999600e-01 fibril - 73 78 1 0.000000e+00 3.717856e-07 ; 1.000000e+00 4.495904e-01 fibril - 73 79 1 0.000000e+00 2.064012e-07 ; 9.999880e-01 2.495835e-01 fibril - 73 80 1 0.000000e+00 2.064012e-07 ; 9.999880e-01 2.495835e-01 fibril - 73 85 1 0.000000e+00 8.179556e-07 ; 9.999176e-01 9.890496e-01 fibril + 72 85 1 0.000000e+00 1.299262e-06 ; 9.999975e-01 1.000000e+00 native_MD + 72 86 1 0.000000e+00 7.200457e-07 ; 1.000000e+00 8.707361e-01 fibril + 72 87 1 0.000000e+00 1.420375e-06 ; 1.000000e+00 9.418135e-01 fibril + 72 89 1 0.000000e+00 1.224000e-05 ; 8.258083e-01 7.636099e-01 native_MD + 72 90 1 0.000000e+00 6.171542e-06 ; 2.017894e-01 1.761632e-01 native_MD + 72 92 1 0.000000e+00 2.669323e-06 ; 8.281249e-02 1.100585e-01 native_MD + 73 77 1 0.000000e+00 2.015568e-06 ; 1.000000e+00 9.999600e-01 fibril + 73 78 1 0.000000e+00 3.717839e-07 ; 1.000000e+00 4.495904e-01 fibril + 73 79 1 0.000000e+00 2.064003e-07 ; 9.999880e-01 2.495835e-01 fibril + 73 80 1 0.000000e+00 2.064003e-07 ; 9.999880e-01 2.495835e-01 fibril + 73 85 1 0.000000e+00 8.179519e-07 ; 9.999176e-01 9.890496e-01 fibril 73 86 1 0.000000e+00 1.162588e-06 ; 9.757916e-01 7.508500e-01 fibril 73 87 1 0.000000e+00 1.280040e-06 ; 9.526050e-01 8.059652e-01 fibril - 73 88 1 0.000000e+00 1.486298e-08 ; 1.595316e-01 1.174321e-01 native_MD - 73 89 1 0.000000e+00 3.236768e-06 ; 6.509795e-01 4.302673e-01 native_MD + 73 88 1 0.000000e+00 1.486321e-08 ; 1.595316e-01 1.174321e-01 native_MD + 73 89 1 0.000000e+00 3.236793e-06 ; 6.509795e-01 4.302673e-01 native_MD 73 90 1 6.139226e-04 8.946969e-07 ; 1.412156e-01 1.078461e-01 native_MD - 74 78 1 0.000000e+00 3.016298e-07 ; 9.999401e-01 9.980059e-01 native_MD - 74 79 1 0.000000e+00 1.317471e-06 ; 1.000000e+00 8.735682e-01 fibril - 74 80 1 0.000000e+00 1.317471e-06 ; 1.000000e+00 8.735682e-01 fibril - 74 81 1 0.000000e+00 5.108754e-07 ; 9.727666e-01 3.115100e-01 fibril - 74 82 1 0.000000e+00 5.108754e-07 ; 9.727666e-01 3.115100e-01 fibril - 74 83 1 0.000000e+00 1.493038e-06 ; 4.032946e-02 3.031033e-02 native_MD - 74 87 1 0.000000e+00 3.002258e-07 ; 1.000000e+00 9.999811e-01 native_MD - 74 89 1 0.000000e+00 7.574608e-06 ; 1.000000e+00 9.999489e-01 native_MD - 74 90 1 0.000000e+00 3.920488e-06 ; 2.401802e-01 3.066657e-01 native_MD - 74 91 1 0.000000e+00 6.635507e-07 ; 2.592384e-02 2.710622e-02 native_MD - 74 92 1 0.000000e+00 1.598988e-06 ; 3.686608e-02 9.709835e-02 native_MD + 74 78 1 0.000000e+00 3.016255e-07 ; 9.999401e-01 9.980059e-01 native_MD + 74 79 1 0.000000e+00 1.317452e-06 ; 1.000000e+00 8.735682e-01 fibril + 74 80 1 0.000000e+00 1.317452e-06 ; 1.000000e+00 8.735682e-01 fibril + 74 81 1 0.000000e+00 5.108682e-07 ; 9.727666e-01 3.115100e-01 fibril + 74 82 1 0.000000e+00 5.108682e-07 ; 9.727666e-01 3.115100e-01 fibril + 74 83 1 0.000000e+00 1.493017e-06 ; 4.032946e-02 3.031033e-02 native_MD + 74 87 1 0.000000e+00 3.002227e-07 ; 1.000000e+00 9.999811e-01 native_MD + 74 89 1 0.000000e+00 7.574596e-06 ; 1.000000e+00 9.999489e-01 native_MD + 74 90 1 0.000000e+00 3.920436e-06 ; 2.401802e-01 3.066657e-01 native_MD + 74 91 1 0.000000e+00 6.635426e-07 ; 2.592384e-02 2.710622e-02 native_MD + 74 92 1 0.000000e+00 1.598965e-06 ; 3.686608e-02 9.709835e-02 native_MD 74 93 1 0.000000e+00 1.458067e-06 ; 4.592970e-02 1.797454e-02 native_MD 74 94 1 0.000000e+00 1.458067e-06 ; 4.592970e-02 1.797454e-02 native_MD - 75 86 1 0.000000e+00 6.856364e-09 ; 9.999921e-01 4.418763e-01 fibril + 75 86 1 0.000000e+00 6.856472e-09 ; 9.999921e-01 4.418763e-01 fibril 75 88 1 0.000000e+00 1.344166e-08 ; 2.680747e-01 3.882127e-01 native_MD 76 79 1 0.000000e+00 5.000000e-07 ; 1.000000e+00 1.000000e+00 native_MD 76 80 1 0.000000e+00 5.000000e-07 ; 9.999995e-01 1.000000e+00 native_MD - 76 81 1 0.000000e+00 1.305186e-05 ; 1.000000e+00 1.000000e+00 fibril - 76 82 1 0.000000e+00 1.305186e-05 ; 1.000000e+00 1.000000e+00 fibril - 76 83 1 0.000000e+00 1.304458e-05 ; 9.999867e-01 9.994282e-01 native_MD + 76 81 1 0.000000e+00 1.305180e-05 ; 1.000000e+00 1.000000e+00 fibril + 76 82 1 0.000000e+00 1.305180e-05 ; 1.000000e+00 1.000000e+00 fibril + 76 83 1 0.000000e+00 1.304451e-05 ; 9.999867e-01 9.994282e-01 native_MD 76 84 1 0.000000e+00 5.735738e-06 ; 0.000000e+00 0.000000e+00 native_MD - 76 90 1 0.000000e+00 3.181370e-05 ; 9.999984e-01 1.000000e+00 native_MD - 76 91 1 0.000000e+00 4.132459e-06 ; 8.655206e-01 5.859961e-01 native_MD - 76 92 1 0.000000e+00 1.305186e-05 ; 1.000000e+00 1.000000e+00 native_MD - 76 93 1 0.000000e+00 1.943498e-06 ; 4.985330e-01 7.657491e-02 native_MD - 76 94 1 0.000000e+00 1.943498e-06 ; 4.985330e-01 7.657491e-02 native_MD - 77 83 1 0.000000e+00 6.333961e-06 ; 1.000000e+00 1.000000e+00 fibril + 76 90 1 0.000000e+00 3.181357e-05 ; 9.999984e-01 1.000000e+00 native_MD + 76 91 1 0.000000e+00 4.132445e-06 ; 8.655206e-01 5.859961e-01 native_MD + 76 92 1 0.000000e+00 1.305180e-05 ; 1.000000e+00 1.000000e+00 native_MD + 76 93 1 0.000000e+00 1.943514e-06 ; 4.985330e-01 7.657491e-02 native_MD + 76 94 1 0.000000e+00 1.943514e-06 ; 4.985330e-01 7.657491e-02 native_MD + 77 83 1 0.000000e+00 6.333855e-06 ; 1.000000e+00 1.000000e+00 fibril 77 84 1 0.000000e+00 2.783506e-06 ; 0.000000e+00 0.000000e+00 native_MD 77 86 1 0.000000e+00 1.500000e-06 ; 9.999986e-01 1.000000e+00 native_MD 77 87 1 0.000000e+00 2.700000e-06 ; 9.999979e-01 9.999987e-01 native_MD - 77 89 1 0.000000e+00 3.181368e-05 ; 9.999993e-01 1.000000e+00 native_MD - 77 90 1 0.000000e+00 1.009144e-05 ; 9.905919e-01 6.442294e-01 fibril - 77 91 1 0.000000e+00 2.829915e-06 ; 8.229384e-02 9.896681e-02 native_MD - 77 92 1 0.000000e+00 2.838610e-06 ; 9.974587e-01 4.456159e-01 fibril - 77 93 1 0.000000e+00 1.434438e-06 ; 1.419623e-01 2.109449e-02 native_MD - 77 94 1 0.000000e+00 1.434438e-06 ; 1.419623e-01 2.109449e-02 native_MD - 78 84 1 0.000000e+00 1.141961e-06 ; 9.999996e-01 1.000000e+00 native_MD - 78 85 1 0.000000e+00 6.496425e-07 ; 9.999994e-01 9.999952e-01 native_MD - 78 86 1 0.000000e+00 6.978755e-07 ; 7.688486e-01 6.127709e-01 native_MD - 78 87 1 0.000000e+00 1.125245e-06 ; 9.999405e-01 7.460509e-01 fibril - 78 89 1 0.000000e+00 7.999436e-06 ; 7.750922e-01 3.879882e-01 fibril - 78 90 1 0.000000e+00 5.039800e-06 ; 2.733462e-01 6.902527e-02 native_MD - 78 92 1 0.000000e+00 1.940382e-06 ; 3.661148e-01 1.128263e-01 native_MD - 79 85 1 0.000000e+00 2.264068e-06 ; 1.000000e+00 8.712745e-01 fibril - 79 86 1 0.000000e+00 7.273274e-07 ; 3.515794e-01 2.311171e-01 native_MD - 79 87 1 0.000000e+00 1.190016e-06 ; 5.127755e-01 3.018329e-01 native_MD - 79 89 1 0.000000e+00 1.001048e-05 ; 4.789660e-01 2.459431e-01 native_MD - 80 85 1 0.000000e+00 2.264068e-06 ; 1.000000e+00 8.712745e-01 fibril - 80 86 1 0.000000e+00 7.273274e-07 ; 3.515794e-01 2.311171e-01 native_MD - 80 87 1 0.000000e+00 1.190016e-06 ; 5.127755e-01 3.018329e-01 native_MD - 80 89 1 0.000000e+00 1.001048e-05 ; 4.789660e-01 2.459431e-01 native_MD - 81 85 1 0.000000e+00 1.994224e-06 ; 4.220286e-01 1.894600e-01 native_MD - 81 86 1 0.000000e+00 8.194418e-07 ; 6.743016e-02 5.835938e-02 native_MD - 81 87 1 0.000000e+00 1.095410e-06 ; 3.635983e-01 8.992561e-02 native_MD - 82 85 1 0.000000e+00 1.994224e-06 ; 4.220286e-01 1.894600e-01 native_MD - 82 86 1 0.000000e+00 8.194418e-07 ; 6.743016e-02 5.835938e-02 native_MD - 82 87 1 0.000000e+00 1.095410e-06 ; 3.635983e-01 8.992561e-02 native_MD - 83 85 1 0.000000e+00 2.384762e-06 ; 1.089099e-01 2.663082e-02 native_MD + 77 89 1 0.000000e+00 3.181354e-05 ; 9.999993e-01 1.000000e+00 native_MD + 77 90 1 0.000000e+00 1.009128e-05 ; 9.905919e-01 6.442294e-01 fibril + 77 91 1 0.000000e+00 2.829873e-06 ; 8.229384e-02 9.896681e-02 native_MD + 77 92 1 0.000000e+00 2.838563e-06 ; 9.974587e-01 4.456159e-01 fibril + 77 93 1 0.000000e+00 1.434433e-06 ; 1.419623e-01 2.109449e-02 native_MD + 77 94 1 0.000000e+00 1.434433e-06 ; 1.419623e-01 2.109449e-02 native_MD + 78 84 1 0.000000e+00 1.141943e-06 ; 9.999996e-01 1.000000e+00 native_MD + 78 85 1 0.000000e+00 6.496310e-07 ; 9.999994e-01 9.999952e-01 native_MD + 78 86 1 0.000000e+00 6.978723e-07 ; 7.688486e-01 6.127709e-01 native_MD + 78 87 1 0.000000e+00 1.125230e-06 ; 9.999405e-01 7.460509e-01 fibril + 78 89 1 0.000000e+00 7.999394e-06 ; 7.750922e-01 3.879882e-01 fibril + 78 90 1 0.000000e+00 5.039716e-06 ; 2.733462e-01 6.902527e-02 native_MD + 78 92 1 0.000000e+00 1.940348e-06 ; 3.661148e-01 1.128263e-01 native_MD + 79 85 1 0.000000e+00 2.264028e-06 ; 1.000000e+00 8.712745e-01 fibril + 79 86 1 0.000000e+00 7.273241e-07 ; 3.515794e-01 2.311171e-01 native_MD + 79 87 1 0.000000e+00 1.189999e-06 ; 5.127755e-01 3.018329e-01 native_MD + 79 89 1 0.000000e+00 1.001043e-05 ; 4.789660e-01 2.459431e-01 native_MD + 80 85 1 0.000000e+00 2.264028e-06 ; 1.000000e+00 8.712745e-01 fibril + 80 86 1 0.000000e+00 7.273241e-07 ; 3.515794e-01 2.311171e-01 native_MD + 80 87 1 0.000000e+00 1.189999e-06 ; 5.127755e-01 3.018329e-01 native_MD + 80 89 1 0.000000e+00 1.001043e-05 ; 4.789660e-01 2.459431e-01 native_MD + 81 85 1 0.000000e+00 1.994189e-06 ; 4.220286e-01 1.894600e-01 native_MD + 81 86 1 0.000000e+00 8.194381e-07 ; 6.743016e-02 5.835938e-02 native_MD + 81 87 1 0.000000e+00 1.095394e-06 ; 3.635983e-01 8.992561e-02 native_MD + 82 85 1 0.000000e+00 1.994189e-06 ; 4.220286e-01 1.894600e-01 native_MD + 82 86 1 0.000000e+00 8.194381e-07 ; 6.743016e-02 5.835938e-02 native_MD + 82 87 1 0.000000e+00 1.095394e-06 ; 3.635983e-01 8.992561e-02 native_MD + 83 85 1 0.000000e+00 2.384720e-06 ; 1.089099e-01 2.663082e-02 native_MD 84 90 1 9.331780e-04 3.040469e-06 ; 5.883342e-02 1.557586e-03 native_MD 85 90 1 0.000000e+00 1.299682e-06 ; 9.999999e-01 1.000000e+00 native_MD - 85 91 1 0.000000e+00 8.994203e-07 ; 9.996671e-01 7.872777e-01 fibril - 85 92 1 0.000000e+00 1.299285e-06 ; 1.000000e+00 9.999897e-01 native_MD - 85 93 1 0.000000e+00 4.125037e-07 ; 9.391359e-01 5.553637e-01 native_MD - 85 94 1 0.000000e+00 4.125037e-07 ; 9.391359e-01 5.553637e-01 native_MD - 86 90 1 0.000000e+00 2.015625e-06 ; 1.000000e+00 9.999844e-01 native_MD - 86 91 1 0.000000e+00 9.079160e-08 ; 9.999357e-01 2.497708e-01 fibril - 86 92 1 0.000000e+00 8.156633e-07 ; 9.997991e-01 9.861590e-01 fibril + 85 91 1 0.000000e+00 8.994060e-07 ; 9.996671e-01 7.872777e-01 fibril + 85 92 1 0.000000e+00 1.299262e-06 ; 1.000000e+00 9.999897e-01 native_MD + 85 93 1 0.000000e+00 4.125019e-07 ; 9.391359e-01 5.553637e-01 native_MD + 85 94 1 0.000000e+00 4.125019e-07 ; 9.391359e-01 5.553637e-01 native_MD + 86 90 1 0.000000e+00 2.015617e-06 ; 1.000000e+00 9.999844e-01 native_MD + 86 91 1 0.000000e+00 9.079135e-08 ; 9.999357e-01 2.497708e-01 fibril + 86 92 1 0.000000e+00 8.156595e-07 ; 9.997991e-01 9.861590e-01 fibril 86 93 1 0.000000e+00 1.112886e-06 ; 9.312509e-01 6.731749e-01 native_MD 86 94 1 0.000000e+00 1.112886e-06 ; 9.312509e-01 6.731749e-01 native_MD - 87 91 1 0.000000e+00 1.325534e-07 ; 9.984453e-01 9.636076e-01 native_MD - 88 91 1 0.000000e+00 1.453697e-08 ; 8.468687e-01 5.253109e-01 native_MD + 87 91 1 0.000000e+00 1.325518e-07 ; 9.984453e-01 9.636076e-01 native_MD + 88 91 1 0.000000e+00 1.453704e-08 ; 8.468687e-01 5.253109e-01 native_MD 88 93 1 1.822699e-04 7.439921e-08 ; 6.772059e-01 6.095179e-02 fibril 88 94 1 1.822699e-04 7.439921e-08 ; 6.772059e-01 6.095179e-02 fibril 90 93 1 0.000000e+00 1.500000e-06 ; 1.000000e+00 9.999902e-01 native_MD 90 94 1 0.000000e+00 1.500000e-06 ; 9.999999e-01 1.000000e+00 native_MD - 91 92 1 0.000000e+00 2.854902e-07 ; 9.999772e-01 9.992296e-01 native_MD - 91 93 1 0.000000e+00 1.908767e-07 ; 9.999481e-01 6.488059e-01 fibril - 91 94 1 0.000000e+00 1.908767e-07 ; 9.999481e-01 6.488059e-01 fibril + 91 92 1 0.000000e+00 2.854856e-07 ; 9.999772e-01 9.992296e-01 native_MD + 91 93 1 0.000000e+00 1.908762e-07 ; 9.999481e-01 6.488059e-01 fibril + 91 94 1 0.000000e+00 1.908762e-07 ; 9.999481e-01 6.488059e-01 fibril [ exclusions ] ; ai aj